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 3fg4_1_A DATA FIRST_RESID 373 DATA SEQUENCE HAIYNVEVET GDREHAGTDA TITIRITGAK GRTDYLKLDK GSXXXFEAGS DATA SEQUENCE KEQYTVQGFD VGDIQLIELH SDGGGYWSGD PDWFVNRVII ISSTQDRVYS DATA SEQUENCE FPCFRWVIKD MVLFPGEATL PFNEVPAIVS EQRQKELEQR KLTYQWDYVS DATA SEQUENCE DDMPGNIKAK THDDLPRDVQ FTDEKSRSYQ ESRKAALVNL GIGSLFTMFE DATA SEQUENCE NWDSYDDYHI LYRNWILGGT PNMADRWHED RWFGYQFLNG ANPVILTRCD DATA SEQUENCE ALPSNFPVTN EHVNASLDRG KNLDEEIKDG HIYIVDFKVL VGAKSYGGPV DATA SEQUENCE LEDIGYKVPX XXXXDEADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK EXXXXGGIVD QSLSLGGGGH DATA SEQUENCE VTFMEKCFKE VNLQDYHLPN ALKKRGVDDP SKLPGFYYRD DGLALWEAIE DATA SEQUENCE TFIGEIIAIF YKNDDDVKRD NEIQSWIYDV HKNGWRVNPG HQDHGVPASF DATA SEQUENCE ESREQLKEVL TSLVFTFSCQ HAAVNFSQKD HYGFTPNAPA ILRHPPPKKK DATA SEQUENCE GEATLQSILS TLPSKSQAAK AIATVYILTK FSEDERYLGN YSATAWEDKD DATA SEQUENCE ALDAINRFQD KLEDISKKIK QRNENLEVPY IYLLPERIPN GTAI 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 373 H HA 0.000 nan 4.556 nan 0.000 0.296 373 H C 0.000 175.238 175.328 -0.150 0.000 0.993 373 H CA 0.000 56.005 56.048 -0.072 0.000 1.023 373 H CB 0.000 29.755 29.762 -0.012 0.000 1.292 374 A N 0.614 123.373 122.820 -0.101 0.000 2.454 374 A HA 0.697 5.014 4.320 -0.004 0.000 0.302 374 A C -1.087 176.316 177.584 -0.303 0.000 1.079 374 A CA -0.874 50.952 52.037 -0.351 0.000 0.731 374 A CB 1.131 19.762 19.000 -0.614 0.000 1.299 374 A HN 0.610 nan 8.150 nan 0.000 0.413 375 I N 1.097 121.474 120.570 -0.322 0.000 2.353 375 I HA 0.350 4.518 4.170 -0.004 0.000 0.293 375 I C -1.280 174.614 176.117 -0.370 0.000 0.992 375 I CA -0.248 60.926 61.300 -0.209 0.000 1.268 375 I CB 1.067 39.048 38.000 -0.032 0.000 1.387 375 I HN 0.601 nan 8.210 nan 0.000 0.478 376 Y N 4.579 124.931 120.300 0.086 0.000 2.328 376 Y HA 0.359 4.907 4.550 -0.004 0.000 0.336 376 Y C 0.106 176.067 175.900 0.102 0.000 0.960 376 Y CA -0.915 57.237 58.100 0.086 0.000 1.134 376 Y CB 1.118 39.618 38.460 0.067 0.000 1.166 376 Y HN 0.461 nan 8.280 nan 0.000 0.464 377 N N 3.065 121.911 118.700 0.243 0.000 2.419 377 N HA 0.363 5.100 4.740 -0.004 0.000 0.264 377 N C -1.250 174.397 175.510 0.228 0.000 1.031 377 N CA -0.234 52.937 53.050 0.201 0.000 0.951 377 N CB 2.178 40.752 38.487 0.144 0.000 1.101 377 N HN 0.270 nan 8.380 nan 0.000 0.488 378 V N 1.941 122.001 119.914 0.243 0.000 2.409 378 V HA 0.290 4.408 4.120 -0.004 0.000 0.291 378 V C 0.086 176.357 176.094 0.295 0.000 1.020 378 V CA -0.716 61.734 62.300 0.249 0.000 0.848 378 V CB 1.889 33.854 31.823 0.237 0.000 0.990 378 V HN 0.616 nan 8.190 nan 0.000 0.430 379 E N 4.027 124.373 120.200 0.243 0.000 2.199 379 E HA 0.647 4.994 4.350 -0.004 0.000 0.265 379 E C -1.774 174.965 176.600 0.232 0.000 0.882 379 E CA -0.495 56.049 56.400 0.240 0.000 0.759 379 E CB 2.156 31.955 29.700 0.165 0.000 1.148 379 E HN 0.468 nan 8.360 nan 0.000 0.412 380 V N 4.454 124.557 119.914 0.315 0.000 2.417 380 V HA 0.277 4.395 4.120 -0.004 0.000 0.291 380 V C -0.422 175.797 176.094 0.208 0.000 1.024 380 V CA -0.749 61.695 62.300 0.239 0.000 0.861 380 V CB 1.588 33.632 31.823 0.367 0.000 0.985 380 V HN 0.697 nan 8.190 nan 0.000 0.436 381 E N 2.699 122.928 120.200 0.048 0.000 2.109 381 E HA 0.389 4.737 4.350 -0.004 0.000 0.278 381 E C -0.639 175.923 176.600 -0.063 0.000 0.954 381 E CA -0.459 55.957 56.400 0.027 0.000 0.779 381 E CB 1.587 31.281 29.700 -0.009 0.000 1.093 381 E HN 0.587 nan 8.360 nan 0.000 0.401 382 T N 1.973 116.568 114.554 0.069 0.000 2.845 382 T HA 0.284 4.632 4.350 -0.004 0.000 0.288 382 T C 0.608 175.331 174.700 0.039 0.000 0.980 382 T CA -0.617 61.514 62.100 0.050 0.000 1.071 382 T CB 1.262 70.315 68.868 0.309 0.000 0.941 382 T HN 0.565 nan 8.240 nan 0.000 0.487 383 G N 1.259 110.080 108.800 0.035 0.000 2.559 383 G HA2 0.023 3.980 3.960 -0.004 0.000 0.235 383 G HA3 0.023 3.980 3.960 -0.004 0.000 0.235 383 G C 0.600 175.505 174.900 0.009 0.000 1.266 383 G CA -0.382 44.750 45.100 0.054 0.000 0.847 383 G HN 0.778 nan 8.290 nan 0.000 0.583 384 D N -0.027 120.363 120.400 -0.017 0.000 2.347 384 D HA -0.038 4.600 4.640 -0.004 0.000 0.213 384 D C 1.499 177.779 176.300 -0.034 0.000 0.985 384 D CA 0.128 54.125 54.000 -0.005 0.000 0.879 384 D CB 0.297 41.100 40.800 0.006 0.000 0.919 384 D HN 0.563 nan 8.370 nan 0.000 0.526 385 R N 1.616 122.047 120.500 -0.115 0.000 2.756 385 R HA 0.098 4.436 4.340 -0.004 0.000 0.264 385 R C -0.037 176.276 176.300 0.022 0.000 1.026 385 R CA -0.005 56.044 56.100 -0.085 0.000 1.121 385 R CB 0.465 30.645 30.300 -0.199 0.000 0.999 385 R HN -0.094 nan 8.270 nan 0.000 0.449 386 E N 1.325 121.553 120.200 0.047 0.000 2.442 386 E HA -0.099 4.248 4.350 -0.004 0.000 0.262 386 E C -0.277 176.438 176.600 0.190 0.000 1.004 386 E CA 0.287 56.702 56.400 0.025 0.000 0.928 386 E CB 0.156 29.841 29.700 -0.025 0.000 0.937 386 E HN 0.650 nan 8.360 nan 0.000 0.446 387 H N 0.013 119.220 119.070 0.229 0.000 3.395 387 H HA -0.244 4.310 4.556 -0.003 0.000 0.222 387 H C 1.151 176.772 175.328 0.489 0.000 1.099 387 H CA 0.715 56.944 56.048 0.302 0.000 1.182 387 H CB -1.609 28.298 29.762 0.242 0.000 1.188 387 H HN 0.632 nan 8.280 nan 0.000 0.317 388 A N 0.703 123.803 122.820 0.467 0.000 1.972 388 A HA 0.101 4.418 4.320 -0.004 0.000 0.219 388 A C 2.011 179.859 177.584 0.439 0.000 1.169 388 A CA 1.420 53.655 52.037 0.329 0.000 0.635 388 A CB -0.449 18.610 19.000 0.097 0.000 0.810 388 A HN 0.523 nan 8.150 nan 0.000 0.446 389 G N -1.945 107.089 108.800 0.390 0.000 2.651 389 G HA2 0.444 4.402 3.960 -0.004 0.000 0.260 389 G HA3 0.444 4.402 3.960 -0.004 0.000 0.260 389 G C -0.230 174.856 174.900 0.310 0.000 1.216 389 G CA 0.649 45.971 45.100 0.370 0.000 0.913 389 G HN 0.406 nan 8.290 nan 0.000 0.535 390 T N -1.774 112.846 114.554 0.110 0.000 2.868 390 T HA 0.421 4.768 4.350 -0.004 0.000 0.306 390 T C -0.804 173.889 174.700 -0.012 0.000 1.224 390 T CA -0.192 61.906 62.100 -0.005 0.000 1.012 390 T CB 1.835 70.561 68.868 -0.237 0.000 1.221 390 T HN 0.550 nan 8.240 nan 0.000 0.499 391 D N 1.094 121.496 120.400 0.003 0.000 2.501 391 D HA 0.384 5.022 4.640 -0.004 0.000 0.224 391 D C 0.760 177.048 176.300 -0.020 0.000 1.202 391 D CA -0.293 53.710 54.000 0.004 0.000 0.829 391 D CB -0.096 40.727 40.800 0.039 0.000 1.023 391 D HN 0.646 nan 8.370 nan 0.000 0.499 392 A N 0.311 123.090 122.820 -0.068 0.000 2.492 392 A HA 0.399 4.716 4.320 -0.004 0.000 0.236 392 A C 0.594 178.125 177.584 -0.089 0.000 1.078 392 A CA 0.064 52.053 52.037 -0.080 0.000 0.773 392 A CB -0.019 18.912 19.000 -0.116 0.000 1.023 392 A HN 0.169 nan 8.150 nan 0.000 0.504 393 T N 2.469 116.987 114.554 -0.060 0.000 2.832 393 T HA 0.440 4.788 4.350 -0.004 0.000 0.296 393 T C -0.024 174.633 174.700 -0.071 0.000 0.968 393 T CA 0.229 62.303 62.100 -0.042 0.000 1.107 393 T CB 0.013 68.876 68.868 -0.008 0.000 0.916 393 T HN 0.343 nan 8.240 nan 0.000 0.517 394 I N 4.073 124.603 120.570 -0.068 0.000 2.433 394 I HA 0.436 4.603 4.170 -0.004 0.000 0.292 394 I C 0.714 176.826 176.117 -0.008 0.000 1.001 394 I CA -0.715 60.531 61.300 -0.091 0.000 1.119 394 I CB 1.603 39.455 38.000 -0.246 0.000 1.289 394 I HN 0.710 nan 8.210 nan 0.000 0.438 395 T N 3.966 118.555 114.554 0.059 0.000 2.907 395 T HA 0.807 5.155 4.350 -0.004 0.000 0.290 395 T C -0.517 174.308 174.700 0.207 0.000 1.066 395 T CA -0.818 61.360 62.100 0.129 0.000 1.012 395 T CB 2.769 71.741 68.868 0.173 0.000 1.184 395 T HN 0.477 nan 8.240 nan 0.000 0.522 396 I N 0.325 121.012 120.570 0.194 0.000 2.534 396 I HA 0.567 4.735 4.170 -0.004 0.000 0.288 396 I C -0.895 175.173 176.117 -0.082 0.000 1.077 396 I CA -1.028 60.319 61.300 0.077 0.000 1.051 396 I CB 1.924 39.889 38.000 -0.058 0.000 1.234 396 I HN 0.698 nan 8.210 nan 0.000 0.425 397 R N 7.537 127.856 120.500 -0.302 0.000 2.393 397 R HA 0.670 5.007 4.340 -0.004 0.000 0.310 397 R C -1.448 174.627 176.300 -0.375 0.000 0.968 397 R CA -0.498 55.275 56.100 -0.546 0.000 0.867 397 R CB 1.266 30.940 30.300 -1.044 0.000 1.124 397 R HN 0.601 nan 8.270 nan 0.000 0.450 398 I N 3.629 123.987 120.570 -0.352 0.000 2.362 398 I HA 0.265 4.433 4.170 -0.004 0.000 0.289 398 I C -0.386 175.601 176.117 -0.216 0.000 0.994 398 I CA -0.579 60.513 61.300 -0.346 0.000 1.158 398 I CB 2.160 39.819 38.000 -0.567 0.000 1.315 398 I HN 0.572 nan 8.210 nan 0.000 0.451 399 T N 4.427 118.893 114.554 -0.147 0.000 2.824 399 T HA 0.720 5.067 4.350 -0.004 0.000 0.280 399 T C 0.244 174.929 174.700 -0.025 0.000 0.995 399 T CA -0.601 61.464 62.100 -0.059 0.000 1.009 399 T CB 1.956 70.804 68.868 -0.034 0.000 0.955 399 T HN 0.847 nan 8.240 nan 0.000 0.452 400 G N 0.068 108.880 108.800 0.020 0.000 2.870 400 G HA2 0.605 4.562 3.960 -0.004 0.000 0.299 400 G HA3 0.605 4.562 3.960 -0.004 0.000 0.299 400 G C 0.808 175.743 174.900 0.059 0.000 1.324 400 G CA -0.170 44.947 45.100 0.029 0.000 0.808 400 G HN 0.698 nan 8.290 nan 0.000 0.535 401 A N -0.548 122.307 122.820 0.058 0.000 1.978 401 A HA 0.015 4.332 4.320 -0.004 0.000 0.220 401 A C 1.989 179.621 177.584 0.081 0.000 1.170 401 A CA 1.987 54.059 52.037 0.060 0.000 0.636 401 A CB -0.314 18.716 19.000 0.051 0.000 0.810 401 A HN 0.506 nan 8.150 nan 0.000 0.448 402 K N -1.676 118.791 120.400 0.112 0.000 2.379 402 K HA 0.352 4.669 4.320 -0.004 0.000 0.194 402 K C 0.872 177.673 176.600 0.336 0.000 1.031 402 K CA 0.449 56.846 56.287 0.185 0.000 1.037 402 K CB 0.314 32.887 32.500 0.122 0.000 0.824 402 K HN 0.554 nan 8.250 nan 0.000 0.516 403 G N 1.329 110.308 108.800 0.298 0.000 2.356 403 G HA2 0.048 4.005 3.960 -0.004 0.000 0.266 403 G HA3 0.048 4.005 3.960 -0.004 0.000 0.266 403 G C -1.803 173.215 174.900 0.197 0.000 1.312 403 G CA -1.045 44.196 45.100 0.234 0.000 0.922 403 G HN 0.178 nan 8.290 nan 0.000 0.480 404 R N -1.197 119.355 120.500 0.088 0.000 2.740 404 R HA 0.767 5.104 4.340 -0.004 0.000 0.273 404 R C 0.102 176.427 176.300 0.042 0.000 0.998 404 R CA -0.104 56.026 56.100 0.049 0.000 0.900 404 R CB 1.392 31.655 30.300 -0.062 0.000 1.223 404 R HN 1.066 nan 8.270 nan 0.000 0.466 405 T N -1.325 113.236 114.554 0.010 0.000 2.788 405 T HA 0.103 4.450 4.350 -0.004 0.000 0.287 405 T C 0.257 174.891 174.700 -0.109 0.000 1.007 405 T CA -0.428 61.678 62.100 0.009 0.000 1.005 405 T CB 0.887 69.731 68.868 -0.039 0.000 1.012 405 T HN 0.591 nan 8.240 nan 0.000 0.530 406 D N -0.939 119.417 120.400 -0.072 0.000 2.393 406 D HA 0.115 4.753 4.640 -0.004 0.000 0.246 406 D C -0.541 175.647 176.300 -0.187 0.000 1.275 406 D CA -0.458 53.480 54.000 -0.102 0.000 0.979 406 D CB 0.019 40.815 40.800 -0.008 0.000 1.101 406 D HN 0.598 nan 8.370 nan 0.000 0.505 407 Y N 0.041 120.315 120.300 -0.045 0.000 2.605 407 Y HA 0.134 4.681 4.550 -0.004 0.000 0.336 407 Y C 0.139 176.024 175.900 -0.025 0.000 1.111 407 Y CA 0.038 58.111 58.100 -0.045 0.000 1.422 407 Y CB 0.200 38.623 38.460 -0.061 0.000 1.193 407 Y HN 0.022 nan 8.280 nan 0.000 0.526 408 L N 3.990 125.268 121.223 0.093 0.000 2.322 408 L HA 0.564 4.902 4.340 -0.004 0.000 0.279 408 L C 0.279 177.192 176.870 0.071 0.000 1.036 408 L CA -1.164 53.717 54.840 0.069 0.000 0.807 408 L CB 0.905 42.990 42.059 0.043 0.000 1.226 408 L HN 0.513 nan 8.230 nan 0.000 0.433 409 K N 3.901 124.337 120.400 0.059 0.000 2.322 409 K HA 0.548 4.866 4.320 -0.004 0.000 0.283 409 K C -0.567 176.027 176.600 -0.010 0.000 1.042 409 K CA -0.203 56.105 56.287 0.035 0.000 0.958 409 K CB 0.298 32.823 32.500 0.041 0.000 0.984 409 K HN 0.601 nan 8.250 nan 0.000 0.473 410 L N 3.187 124.350 121.223 -0.101 0.000 2.321 410 L HA 0.328 4.666 4.340 -0.004 0.000 0.272 410 L C 1.179 177.923 176.870 -0.209 0.000 1.050 410 L CA -0.056 54.553 54.840 -0.385 0.000 0.893 410 L CB 0.894 42.599 42.059 -0.590 0.000 1.272 410 L HN 1.015 nan 8.230 nan 0.000 0.435 411 D N 1.706 122.135 120.400 0.049 0.000 2.525 411 D HA 0.183 4.821 4.640 -0.004 0.000 0.248 411 D C 1.006 177.363 176.300 0.094 0.000 1.000 411 D CA 0.833 54.879 54.000 0.075 0.000 0.923 411 D CB 0.410 41.257 40.800 0.078 0.000 1.101 411 D HN 0.401 nan 8.370 nan 0.000 0.493 412 K N 0.194 120.702 120.400 0.180 0.000 2.185 412 K HA 0.726 5.043 4.320 -0.004 0.000 0.269 412 K C 0.822 177.414 176.600 -0.013 0.000 0.987 412 K CA 0.021 56.343 56.287 0.057 0.000 0.865 412 K CB 0.502 33.018 32.500 0.026 0.000 1.090 412 K HN 1.762 nan 8.250 nan 0.000 0.450 413 G N 0.612 109.370 108.800 -0.070 0.000 2.710 413 G HA2 0.092 4.049 3.960 -0.004 0.000 0.668 413 G HA3 0.092 4.049 3.960 -0.004 0.000 0.668 413 G C 0.256 175.037 174.900 -0.200 0.000 1.320 413 G CA 0.107 45.132 45.100 -0.124 0.000 0.860 413 G HN 1.966 nan 8.290 nan 0.000 0.538 419 E N 1.420 121.765 120.200 0.242 0.000 2.319 419 E HA 0.582 4.930 4.350 -0.004 0.000 0.268 419 E C 0.142 176.874 176.600 0.219 0.000 1.050 419 E CA -0.492 56.021 56.400 0.188 0.000 0.878 419 E CB 1.725 31.493 29.700 0.113 0.000 1.066 419 E HN 0.499 nan 8.360 nan 0.000 0.406 420 A N 0.843 123.772 122.820 0.181 0.000 2.587 420 A HA 0.283 4.600 4.320 -0.004 0.000 0.235 420 A C 1.321 178.974 177.584 0.115 0.000 1.044 420 A CA 1.064 53.188 52.037 0.145 0.000 0.754 420 A CB -0.606 18.453 19.000 0.098 0.000 0.968 420 A HN 0.833 nan 8.150 nan 0.000 0.509 421 G N 1.420 110.283 108.800 0.104 0.000 2.189 421 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.267 421 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.267 421 G C 0.638 175.600 174.900 0.103 0.000 0.975 421 G CA 1.192 46.344 45.100 0.086 0.000 0.644 421 G HN 2.300 nan 8.290 nan 0.000 0.537 422 S N -0.790 114.997 115.700 0.146 0.000 2.592 422 S HA 0.678 5.145 4.470 -0.004 0.000 0.271 422 S C 0.033 174.736 174.600 0.171 0.000 1.326 422 S CA 0.816 59.108 58.200 0.154 0.000 1.024 422 S CB 1.784 65.094 63.200 0.185 0.000 0.921 422 S HN 1.622 nan 8.310 nan 0.000 0.527 423 K N 2.179 122.660 120.400 0.136 0.000 2.521 423 K HA 0.506 4.823 4.320 -0.004 0.000 0.248 423 K C -0.718 175.960 176.600 0.131 0.000 0.978 423 K CA -0.841 55.528 56.287 0.137 0.000 0.947 423 K CB 0.460 33.017 32.500 0.094 0.000 1.165 423 K HN 0.765 nan 8.250 nan 0.000 0.445 424 E N 1.510 121.839 120.200 0.216 0.000 2.191 424 E HA 0.352 4.700 4.350 -0.004 0.000 0.274 424 E C -0.738 175.913 176.600 0.084 0.000 0.948 424 E CA -0.695 55.780 56.400 0.125 0.000 0.802 424 E CB 2.044 31.863 29.700 0.200 0.000 1.137 424 E HN 0.644 nan 8.360 nan 0.000 0.397 425 Q N 1.467 121.124 119.800 -0.238 0.000 2.337 425 Q HA 0.518 4.855 4.340 -0.004 0.000 0.266 425 Q C -1.232 174.386 176.000 -0.637 0.000 1.023 425 Q CA -0.621 55.053 55.803 -0.215 0.000 0.829 425 Q CB 1.745 30.422 28.738 -0.102 0.000 1.306 425 Q HN 0.424 nan 8.270 nan 0.000 0.449 426 Y N -0.293 120.060 120.300 0.089 0.000 2.524 426 Y HA 0.432 4.979 4.550 -0.004 0.000 0.347 426 Y C -0.421 175.535 175.900 0.094 0.000 1.005 426 Y CA -0.873 57.279 58.100 0.085 0.000 1.025 426 Y CB 2.597 41.124 38.460 0.111 0.000 1.275 426 Y HN 0.394 nan 8.280 nan 0.000 0.460 427 T N 3.338 118.018 114.554 0.210 0.000 2.864 427 T HA 0.560 4.908 4.350 -0.004 0.000 0.310 427 T C -0.675 174.132 174.700 0.178 0.000 1.040 427 T CA -0.689 61.513 62.100 0.170 0.000 0.977 427 T CB 0.196 69.126 68.868 0.103 0.000 0.976 427 T HN 0.526 nan 8.240 nan 0.000 0.459 428 V N 1.564 121.603 119.914 0.209 0.000 2.919 428 V HA 0.779 4.896 4.120 -0.004 0.000 0.316 428 V C -0.667 175.563 176.094 0.227 0.000 1.077 428 V CA -1.117 61.298 62.300 0.192 0.000 0.977 428 V CB 2.077 34.007 31.823 0.178 0.000 1.039 428 V HN 0.811 nan 8.190 nan 0.000 0.441 429 Q N 0.675 120.583 119.800 0.180 0.000 2.375 429 Q HA 0.790 5.128 4.340 -0.004 0.000 0.271 429 Q C -0.447 175.673 176.000 0.200 0.000 1.074 429 Q CA -0.007 55.893 55.803 0.161 0.000 0.808 429 Q CB 2.207 30.966 28.738 0.035 0.000 1.327 429 Q HN 1.453 nan 8.270 nan 0.000 0.441 430 G N 1.564 110.526 108.800 0.269 0.000 2.488 430 G HA2 0.216 4.174 3.960 -0.004 0.000 0.301 430 G HA3 0.216 4.174 3.960 -0.004 0.000 0.301 430 G C -1.757 173.354 174.900 0.351 0.000 1.339 430 G CA -0.990 44.287 45.100 0.295 0.000 0.803 430 G HN 0.678 nan 8.290 nan 0.000 0.482 431 F N 0.891 120.944 119.950 0.171 0.000 2.637 431 F HA 0.226 4.751 4.527 -0.004 0.000 0.372 431 F C 0.611 176.531 175.800 0.199 0.000 1.107 431 F CA 0.399 58.485 58.000 0.144 0.000 1.325 431 F CB 0.759 39.809 39.000 0.083 0.000 1.016 431 F HN 0.391 nan 8.300 nan 0.000 0.593 432 D N 5.491 125.498 120.400 -0.654 0.000 2.352 432 D HA 0.102 4.739 4.640 -0.004 0.000 0.245 432 D C 0.776 176.697 176.300 -0.632 0.000 1.224 432 D CA -0.235 53.475 54.000 -0.484 0.000 0.879 432 D CB 0.935 41.477 40.800 -0.430 0.000 1.057 432 D HN 0.391 nan 8.370 nan 0.000 0.491 433 V N 2.313 122.164 119.914 -0.104 0.000 3.573 433 V HA 0.370 4.487 4.120 -0.004 0.000 0.270 433 V C 1.334 177.430 176.094 0.003 0.000 1.221 433 V CA 0.675 62.986 62.300 0.018 0.000 1.163 433 V CB -1.085 30.808 31.823 0.117 0.000 0.847 433 V HN 0.746 nan 8.190 nan 0.000 0.468 434 G N 1.228 110.006 108.800 -0.036 0.000 2.527 434 G HA2 -0.366 3.592 3.960 -0.004 0.000 0.268 434 G HA3 -0.366 3.592 3.960 -0.004 0.000 0.268 434 G C -0.253 174.685 174.900 0.064 0.000 1.175 434 G CA 0.465 45.568 45.100 0.006 0.000 0.962 434 G HN 0.860 nan 8.290 nan 0.000 0.560 435 D N 1.230 121.680 120.400 0.084 0.000 2.358 435 D HA 0.396 5.034 4.640 -0.004 0.000 0.258 435 D C 1.135 177.465 176.300 0.051 0.000 1.223 435 D CA -0.233 53.857 54.000 0.151 0.000 0.886 435 D CB -0.134 40.757 40.800 0.152 0.000 1.120 435 D HN 0.528 nan 8.370 nan 0.000 0.482 436 I N 3.948 124.413 120.570 -0.176 0.000 2.668 436 I HA -0.073 4.094 4.170 -0.004 0.000 0.285 436 I C 1.421 177.475 176.117 -0.105 0.000 1.168 436 I CA 0.421 61.512 61.300 -0.348 0.000 1.424 436 I CB 0.675 38.169 38.000 -0.843 0.000 1.377 436 I HN 0.511 nan 8.210 nan 0.000 0.560 437 Q N 5.913 125.721 119.800 0.014 0.000 2.423 437 Q HA 0.286 4.624 4.340 -0.004 0.000 0.231 437 Q C -0.572 175.552 176.000 0.208 0.000 0.894 437 Q CA 0.251 56.113 55.803 0.097 0.000 0.938 437 Q CB 0.774 29.552 28.738 0.066 0.000 1.079 437 Q HN 0.675 nan 8.270 nan 0.000 0.552 438 L N -2.255 119.091 121.223 0.206 0.000 2.940 438 L HA 0.612 4.949 4.340 -0.004 0.000 0.270 438 L C -1.390 175.503 176.870 0.038 0.000 1.030 438 L CA -1.325 53.684 54.840 0.282 0.000 0.928 438 L CB 1.103 43.350 42.059 0.313 0.000 1.506 438 L HN 0.030 nan 8.230 nan 0.000 0.405 439 I N -2.571 117.922 120.570 -0.127 0.000 3.074 439 I HA 0.846 5.014 4.170 -0.004 0.000 0.310 439 I C -1.374 174.599 176.117 -0.240 0.000 1.153 439 I CA -0.603 60.507 61.300 -0.316 0.000 0.993 439 I CB 2.634 40.248 38.000 -0.643 0.000 1.237 439 I HN 0.784 nan 8.210 nan 0.000 0.443 440 E N 3.742 123.827 120.200 -0.192 0.000 2.263 440 E HA 0.573 4.920 4.350 -0.004 0.000 0.268 440 E C -1.541 175.086 176.600 0.046 0.000 0.884 440 E CA -0.651 55.712 56.400 -0.062 0.000 0.766 440 E CB 3.003 32.715 29.700 0.021 0.000 1.196 440 E HN 0.460 nan 8.360 nan 0.000 0.416 441 L N 2.572 123.814 121.223 0.031 0.000 2.307 441 L HA 0.503 4.840 4.340 -0.004 0.000 0.282 441 L C -0.383 176.580 176.870 0.155 0.000 1.051 441 L CA -0.748 54.146 54.840 0.091 0.000 0.804 441 L CB 0.900 42.957 42.059 -0.004 0.000 1.197 441 L HN 0.556 nan 8.230 nan 0.000 0.431 442 H N 1.347 120.444 119.070 0.044 0.000 2.600 442 H HA 0.478 5.032 4.556 -0.004 0.000 0.357 442 H C -1.011 174.280 175.328 -0.063 0.000 1.106 442 H CA -0.360 55.633 56.048 -0.092 0.000 1.193 442 H CB 2.012 31.524 29.762 -0.418 0.000 1.594 442 H HN 0.505 nan 8.280 nan 0.000 0.526 443 S N 2.535 117.872 115.700 -0.606 0.000 2.473 443 S HA 0.123 4.591 4.470 -0.004 0.000 0.307 443 S C 0.364 174.625 174.600 -0.567 0.000 1.094 443 S CA -0.588 57.372 58.200 -0.399 0.000 1.070 443 S CB 0.787 63.874 63.200 -0.187 0.000 1.019 443 S HN 0.838 nan 8.310 nan 0.000 0.480 444 D N 3.298 123.554 120.400 -0.240 0.000 2.378 444 D HA 0.095 4.733 4.640 -0.004 0.000 0.227 444 D C 1.295 177.537 176.300 -0.096 0.000 1.012 444 D CA 0.773 54.714 54.000 -0.098 0.000 0.905 444 D CB -0.775 40.025 40.800 -0.001 0.000 0.895 444 D HN 1.117 nan 8.370 nan 0.000 0.532 445 G N -0.452 108.273 108.800 -0.125 0.000 2.160 445 G HA2 0.009 3.967 3.960 -0.004 0.000 0.251 445 G HA3 0.009 3.967 3.960 -0.004 0.000 0.251 445 G C 0.836 175.705 174.900 -0.050 0.000 1.008 445 G CA 0.470 45.523 45.100 -0.079 0.000 0.724 445 G HN 1.334 nan 8.290 nan 0.000 0.514 446 G N -1.952 106.823 108.800 -0.041 0.000 2.828 446 G HA2 0.463 4.421 3.960 -0.004 0.000 0.463 446 G HA3 0.463 4.421 3.960 -0.004 0.000 0.463 446 G C 0.779 175.676 174.900 -0.005 0.000 1.394 446 G CA 0.542 45.633 45.100 -0.016 0.000 0.862 446 G HN 2.117 nan 8.290 nan 0.000 0.540 447 G N -2.440 106.373 108.800 0.021 0.000 3.075 447 G HA2 0.633 4.591 3.960 -0.004 0.000 0.253 447 G HA3 0.633 4.591 3.960 -0.004 0.000 0.253 447 G C 0.668 175.569 174.900 0.001 0.000 1.353 447 G CA 0.502 45.624 45.100 0.036 0.000 1.051 447 G HN 1.300 nan 8.290 nan 0.000 0.553 448 Y N -0.669 119.536 120.300 -0.158 0.000 2.151 448 Y HA -0.208 4.340 4.550 -0.004 0.000 0.284 448 Y C 2.135 177.803 175.900 -0.386 0.000 1.166 448 Y CA 2.147 60.033 58.100 -0.357 0.000 1.163 448 Y CB -0.022 38.096 38.460 -0.569 0.000 0.974 448 Y HN 0.495 nan 8.280 nan 0.000 0.511 449 W N 0.026 121.384 121.300 0.097 0.000 3.256 449 W HA 0.204 4.862 4.660 -0.004 0.000 0.269 449 W C 0.676 177.183 176.519 -0.020 0.000 1.310 449 W CA 0.118 57.485 57.345 0.036 0.000 1.673 449 W CB -0.150 29.378 29.460 0.112 0.000 1.115 449 W HN -0.266 nan 8.180 nan 0.000 0.686 450 S N 1.043 116.819 115.700 0.126 0.000 2.498 450 S HA 0.172 4.640 4.470 -0.004 0.000 0.281 450 S C 1.377 176.000 174.600 0.039 0.000 1.265 450 S CA 0.255 58.504 58.200 0.082 0.000 1.071 450 S CB 1.151 64.375 63.200 0.040 0.000 0.894 450 S HN 0.380 nan 8.310 nan 0.000 0.491 451 G N 1.865 110.704 108.800 0.065 0.000 2.394 451 G HA2 -0.039 3.919 3.960 -0.004 0.000 0.214 451 G HA3 -0.039 3.919 3.960 -0.004 0.000 0.214 451 G C 0.126 175.013 174.900 -0.022 0.000 1.176 451 G CA 0.420 45.541 45.100 0.034 0.000 0.786 451 G HN 0.677 nan 8.290 nan 0.000 0.533 452 D N -1.021 119.383 120.400 0.007 0.000 2.472 452 D HA 0.297 4.934 4.640 -0.004 0.000 0.248 452 D C -1.526 174.812 176.300 0.062 0.000 1.271 452 D CA -1.250 52.735 54.000 -0.024 0.000 0.888 452 D CB 1.540 42.264 40.800 -0.127 0.000 1.337 452 D HN -0.019 nan 8.370 nan 0.000 0.526 453 P HA -0.045 nan 4.420 nan 0.000 0.220 453 P C -0.265 177.117 177.300 0.136 0.000 1.148 453 P CA 0.431 63.564 63.100 0.055 0.000 0.803 453 P CB 0.176 31.878 31.700 0.003 0.000 0.782 454 D N 0.148 120.644 120.400 0.160 0.000 2.525 454 D HA -0.006 4.631 4.640 -0.004 0.000 0.235 454 D C -0.346 176.341 176.300 0.645 0.000 1.137 454 D CA 0.621 54.818 54.000 0.329 0.000 0.868 454 D CB 0.066 40.973 40.800 0.178 0.000 1.180 454 D HN 0.131 nan 8.370 nan 0.000 0.465 455 W N 4.397 125.940 121.300 0.405 0.000 2.647 455 W HA 0.377 5.034 4.660 -0.005 0.000 0.328 455 W C -1.892 174.610 176.519 -0.028 0.000 1.018 455 W CA -1.607 55.845 57.345 0.179 0.000 1.245 455 W CB 0.475 29.918 29.460 -0.029 0.000 1.356 455 W HN 0.205 nan 8.180 nan 0.000 0.443 456 F N 7.105 126.745 119.950 -0.517 0.000 2.390 456 F HA 0.521 5.046 4.527 -0.003 0.000 0.361 456 F C -0.509 174.771 175.800 -0.866 0.000 1.124 456 F CA -0.448 56.924 58.000 -1.047 0.000 1.149 456 F CB 0.629 38.687 39.000 -1.570 0.000 1.160 456 F HN -0.026 nan 8.300 nan 0.000 0.501 457 V N 7.784 126.958 119.914 -1.233 0.000 2.370 457 V HA 0.132 4.250 4.120 -0.004 0.000 0.279 457 V C 0.793 176.279 176.094 -1.014 0.000 1.029 457 V CA -0.351 61.288 62.300 -1.101 0.000 0.870 457 V CB 1.199 32.282 31.823 -1.233 0.000 0.984 457 V HN 0.859 nan 8.190 nan 0.000 0.451 458 N N 3.458 121.672 118.700 -0.809 0.000 2.062 458 N HA 0.005 4.743 4.740 -0.004 0.000 0.191 458 N C 0.855 175.719 175.510 -1.075 0.000 1.042 458 N CA 0.866 53.142 53.050 -1.290 0.000 0.845 458 N CB 0.240 38.217 38.487 -0.850 0.000 1.024 458 N HN 0.532 nan 8.380 nan 0.000 0.424 459 R N -0.093 120.081 120.500 -0.543 0.000 2.663 459 R HA 0.411 4.748 4.340 -0.004 0.000 0.267 459 R C -2.123 174.099 176.300 -0.131 0.000 1.038 459 R CA -0.418 55.534 56.100 -0.245 0.000 0.886 459 R CB 1.773 32.016 30.300 -0.095 0.000 1.249 459 R HN -0.196 nan 8.270 nan 0.000 0.463 460 V N 4.156 124.074 119.914 0.007 0.000 2.656 460 V HA 0.586 4.704 4.120 -0.004 0.000 0.307 460 V C -0.726 175.521 176.094 0.255 0.000 1.051 460 V CA -0.730 61.607 62.300 0.063 0.000 0.893 460 V CB 1.873 33.644 31.823 -0.087 0.000 0.999 460 V HN 0.552 nan 8.190 nan 0.000 0.426 461 I N 5.140 125.845 120.570 0.225 0.000 2.509 461 I HA 0.581 4.748 4.170 -0.004 0.000 0.293 461 I C -0.497 175.795 176.117 0.291 0.000 1.020 461 I CA -0.096 61.373 61.300 0.281 0.000 1.088 461 I CB 1.883 39.994 38.000 0.186 0.000 1.267 461 I HN 0.397 nan 8.210 nan 0.000 0.430 462 I N 6.355 127.158 120.570 0.389 0.000 2.582 462 I HA 0.503 4.671 4.170 -0.004 0.000 0.292 462 I C -0.938 175.414 176.117 0.393 0.000 1.066 462 I CA -0.556 60.960 61.300 0.361 0.000 1.053 462 I CB 2.173 40.380 38.000 0.344 0.000 1.241 462 I HN 0.348 nan 8.210 nan 0.000 0.421 463 I N 4.143 124.902 120.570 0.315 0.000 2.436 463 I HA 0.274 4.442 4.170 -0.004 0.000 0.289 463 I C -0.029 176.257 176.117 0.282 0.000 1.010 463 I CA -0.342 61.128 61.300 0.283 0.000 1.098 463 I CB 2.078 40.181 38.000 0.171 0.000 1.266 463 I HN 0.481 nan 8.210 nan 0.000 0.434 464 S N 3.116 118.993 115.700 0.295 0.000 2.508 464 S HA 0.187 4.655 4.470 -0.004 0.000 0.284 464 S C 1.194 175.800 174.600 0.010 0.000 1.192 464 S CA -0.390 57.890 58.200 0.134 0.000 1.070 464 S CB 1.252 64.583 63.200 0.219 0.000 1.004 464 S HN 0.734 nan 8.310 nan 0.000 0.493 465 S N 2.744 118.372 115.700 -0.121 0.000 2.537 465 S HA -0.094 4.374 4.470 -0.004 0.000 0.240 465 S C 1.408 175.959 174.600 -0.083 0.000 0.981 465 S CA 1.273 59.418 58.200 -0.091 0.000 0.948 465 S CB -0.827 62.297 63.200 -0.127 0.000 0.759 465 S HN 0.942 nan 8.310 nan 0.000 0.531 466 T N -2.621 111.884 114.554 -0.083 0.000 3.010 466 T HA 0.257 4.604 4.350 -0.004 0.000 0.257 466 T C 0.302 175.002 174.700 0.000 0.000 1.020 466 T CA -0.457 61.604 62.100 -0.065 0.000 0.938 466 T CB 0.065 68.870 68.868 -0.105 0.000 1.049 466 T HN 0.238 nan 8.240 nan 0.000 0.522 467 Q N 1.852 121.687 119.800 0.059 0.000 2.337 467 Q HA 0.404 4.742 4.340 -0.004 0.000 0.266 467 Q C -1.553 174.483 176.000 0.060 0.000 1.023 467 Q CA -0.428 55.435 55.803 0.100 0.000 0.829 467 Q CB 2.069 30.957 28.738 0.251 0.000 1.306 467 Q HN 0.274 nan 8.270 nan 0.000 0.449 468 D N 2.856 123.266 120.400 0.018 0.000 2.564 468 D HA 0.219 4.856 4.640 -0.004 0.000 0.226 468 D C -0.521 175.752 176.300 -0.046 0.000 1.149 468 D CA -0.155 53.840 54.000 -0.008 0.000 0.994 468 D CB 0.075 40.867 40.800 -0.013 0.000 1.029 468 D HN 0.555 nan 8.370 nan 0.000 0.517 469 R N -0.768 119.692 120.500 -0.066 0.000 2.993 469 R HA 0.434 4.771 4.340 -0.004 0.000 0.288 469 R C -2.006 174.184 176.300 -0.184 0.000 0.982 469 R CA -1.047 54.952 56.100 -0.168 0.000 0.832 469 R CB 0.349 30.457 30.300 -0.319 0.000 1.340 469 R HN -0.090 nan 8.270 nan 0.000 0.516 470 V N 1.775 121.556 119.914 -0.222 0.000 2.409 470 V HA 0.442 4.559 4.120 -0.004 0.000 0.291 470 V C -1.245 174.747 176.094 -0.171 0.000 1.020 470 V CA -0.572 61.674 62.300 -0.090 0.000 0.848 470 V CB 1.108 32.917 31.823 -0.022 0.000 0.990 470 V HN 0.536 nan 8.190 nan 0.000 0.430 471 Y N 2.444 122.771 120.300 0.045 0.000 2.320 471 Y HA 0.574 5.121 4.550 -0.004 0.000 0.334 471 Y C 0.661 176.499 175.900 -0.103 0.000 1.055 471 Y CA -0.120 57.933 58.100 -0.079 0.000 1.143 471 Y CB 1.956 40.422 38.460 0.009 0.000 1.193 471 Y HN 0.559 nan 8.280 nan 0.000 0.477 472 S N 4.154 119.743 115.700 -0.185 0.000 2.605 472 S HA 0.630 5.097 4.470 -0.004 0.000 0.308 472 S C -1.536 172.922 174.600 -0.237 0.000 1.113 472 S CA -0.587 57.572 58.200 -0.068 0.000 1.049 472 S CB 0.019 63.220 63.200 0.002 0.000 1.001 472 S HN 0.439 nan 8.310 nan 0.000 0.480 473 F N 5.952 125.932 119.950 0.049 0.000 2.359 473 F HA 0.405 4.929 4.527 -0.005 0.000 0.370 473 F C -2.102 173.673 175.800 -0.042 0.000 1.077 473 F CA -2.131 55.870 58.000 0.002 0.000 1.136 473 F CB 1.383 40.355 39.000 -0.047 0.000 1.387 473 F HN 0.331 nan 8.300 nan 0.000 0.468 474 P HA 0.056 nan 4.420 nan 0.000 0.271 474 P C 0.037 177.346 177.300 0.016 0.000 1.216 474 P CA 0.054 63.221 63.100 0.111 0.000 0.776 474 P CB 2.125 33.918 31.700 0.155 0.000 0.881 475 C N 2.987 122.224 119.300 -0.105 0.000 2.926 475 C HA 0.302 4.760 4.460 -0.004 0.000 0.272 475 C C 0.458 175.367 174.990 -0.136 0.000 2.141 475 C CA 0.058 58.941 59.018 -0.225 0.000 1.841 475 C CB -1.300 26.173 27.740 -0.446 0.000 1.421 475 C HN 0.542 nan 8.230 nan 0.000 0.756 476 F N 2.186 121.896 119.950 -0.400 0.000 3.004 476 F HA -0.136 4.388 4.527 -0.005 0.000 0.264 476 F C 0.316 175.758 175.800 -0.596 0.000 0.979 476 F CA 1.094 58.831 58.000 -0.438 0.000 0.896 476 F CB -1.450 37.525 39.000 -0.042 0.000 0.813 476 F HN 0.476 nan 8.300 nan 0.000 0.804 477 R N -1.977 117.939 120.500 -0.974 0.000 2.739 477 R HA 0.401 4.739 4.340 -0.004 0.000 0.271 477 R C -1.192 174.599 176.300 -0.848 0.000 1.010 477 R CA -1.171 54.575 56.100 -0.590 0.000 0.897 477 R CB 1.030 31.275 30.300 -0.092 0.000 1.236 477 R HN 0.107 nan 8.270 nan 0.000 0.466 478 W N 1.307 122.462 121.300 -0.242 0.000 2.303 478 W HA 0.222 4.879 4.660 -0.004 0.000 0.318 478 W C 0.050 176.479 176.519 -0.149 0.000 1.362 478 W CA -0.161 57.114 57.345 -0.116 0.000 1.234 478 W CB 0.714 30.219 29.460 0.075 0.000 1.248 478 W HN 0.075 nan 8.180 nan 0.000 0.546 479 V N 6.804 126.749 119.914 0.052 0.000 2.385 479 V HA 0.067 4.185 4.120 -0.004 0.000 0.269 479 V C 0.885 177.075 176.094 0.160 0.000 1.043 479 V CA -0.397 61.927 62.300 0.039 0.000 0.906 479 V CB 0.559 32.352 31.823 -0.051 0.000 0.995 479 V HN 0.541 nan 8.190 nan 0.000 0.467 480 I N 4.233 124.852 120.570 0.081 0.000 3.025 480 I HA 0.170 4.338 4.170 -0.004 0.000 0.236 480 I C 2.066 178.168 176.117 -0.025 0.000 1.063 480 I CA 1.488 62.815 61.300 0.045 0.000 1.476 480 I CB -1.033 36.971 38.000 0.008 0.000 1.331 480 I HN 0.656 nan 8.210 nan 0.000 0.457 481 K N -0.224 120.135 120.400 -0.068 0.000 2.485 481 K HA 0.203 4.521 4.320 -0.004 0.000 0.200 481 K C 0.334 176.822 176.600 -0.187 0.000 1.344 481 K CA 0.400 56.583 56.287 -0.173 0.000 0.948 481 K CB 0.217 32.649 32.500 -0.113 0.000 1.454 481 K HN 0.296 nan 8.250 nan 0.000 0.502 482 D N -0.515 119.854 120.400 -0.052 0.000 2.738 482 D HA 0.551 5.189 4.640 -0.004 0.000 0.237 482 D C -1.382 174.907 176.300 -0.017 0.000 1.123 482 D CA -0.447 53.558 54.000 0.010 0.000 0.856 482 D CB 1.895 42.737 40.800 0.070 0.000 1.552 482 D HN 0.230 nan 8.370 nan 0.000 0.480 483 M N 2.053 121.634 119.600 -0.032 0.000 2.238 483 M HA 0.273 4.750 4.480 -0.004 0.000 0.278 483 M C -2.195 174.025 176.300 -0.134 0.000 1.040 483 M CA -0.531 54.711 55.300 -0.098 0.000 0.969 483 M CB 1.812 34.321 32.600 -0.152 0.000 1.694 483 M HN 0.050 nan 8.290 nan 0.000 0.472 484 V N 6.270 126.078 119.914 -0.177 0.000 2.465 484 V HA 0.614 4.732 4.120 -0.004 0.000 0.279 484 V C -0.401 175.416 176.094 -0.462 0.000 1.045 484 V CA -0.473 61.667 62.300 -0.267 0.000 0.938 484 V CB 1.260 32.944 31.823 -0.232 0.000 0.986 484 V HN 0.844 nan 8.190 nan 0.000 0.467 485 L N 4.700 125.645 121.223 -0.464 0.000 2.401 485 L HA 0.652 4.989 4.340 -0.004 0.000 0.266 485 L C -1.021 175.708 176.870 -0.235 0.000 0.991 485 L CA -0.335 54.250 54.840 -0.425 0.000 0.818 485 L CB 2.180 44.133 42.059 -0.176 0.000 1.321 485 L HN 0.461 nan 8.230 nan 0.000 0.413 486 F N 1.872 121.946 119.950 0.205 0.000 2.458 486 F HA 0.608 5.132 4.527 -0.004 0.000 0.330 486 F C -2.060 173.761 175.800 0.035 0.000 1.082 486 F CA -2.240 55.865 58.000 0.175 0.000 0.995 486 F CB 1.417 40.437 39.000 0.032 0.000 1.170 486 F HN 0.214 nan 8.300 nan 0.000 0.478 487 P HA 0.442 nan 4.420 nan 0.000 0.282 487 P C 0.153 177.352 177.300 -0.168 0.000 1.259 487 P CA 0.095 62.861 63.100 -0.557 0.000 0.826 487 P CB 1.657 32.947 31.700 -0.685 0.000 1.064 488 G N 1.639 110.341 108.800 -0.163 0.000 2.542 488 G HA2 -0.181 3.777 3.960 -0.004 0.000 0.235 488 G HA3 -0.181 3.777 3.960 -0.004 0.000 0.235 488 G C -0.756 174.148 174.900 0.006 0.000 1.286 488 G CA -0.293 44.771 45.100 -0.061 0.000 0.904 488 G HN 0.575 nan 8.290 nan 0.000 0.577 489 E N 0.500 120.723 120.200 0.039 0.000 2.374 489 E HA 0.595 4.942 4.350 -0.004 0.000 0.260 489 E C 1.017 177.670 176.600 0.089 0.000 1.101 489 E CA 0.360 56.831 56.400 0.119 0.000 0.907 489 E CB 0.778 30.572 29.700 0.157 0.000 1.014 489 E HN 1.235 nan 8.360 nan 0.000 0.427 490 A N 1.542 124.421 122.820 0.097 0.000 2.520 490 A HA 0.384 4.701 4.320 -0.004 0.000 0.235 490 A C 0.219 177.736 177.584 -0.113 0.000 1.065 490 A CA 0.309 52.272 52.037 -0.123 0.000 0.764 490 A CB -0.247 18.489 19.000 -0.440 0.000 1.002 490 A HN 0.610 nan 8.150 nan 0.000 0.502 491 T N -0.184 114.215 114.554 -0.259 0.000 2.906 491 T HA 0.664 5.012 4.350 -0.004 0.000 0.295 491 T C -0.306 174.089 174.700 -0.509 0.000 1.075 491 T CA -0.835 61.086 62.100 -0.298 0.000 1.005 491 T CB 0.770 69.487 68.868 -0.251 0.000 1.136 491 T HN 0.481 nan 8.240 nan 0.000 0.498 492 L N 2.079 122.930 121.223 -0.620 0.000 2.421 492 L HA 0.380 4.718 4.340 -0.004 0.000 0.263 492 L C -1.068 175.460 176.870 -0.571 0.000 1.122 492 L CA -2.640 51.754 54.840 -0.743 0.000 0.804 492 L CB 1.220 42.684 42.059 -0.991 0.000 1.150 492 L HN 0.515 nan 8.230 nan 0.000 0.457 493 P HA -0.190 nan 4.420 nan 0.000 0.220 493 P C 1.049 178.287 177.300 -0.103 0.000 1.148 493 P CA 1.464 64.487 63.100 -0.130 0.000 0.803 493 P CB -0.021 31.707 31.700 0.047 0.000 0.782 494 F N -1.000 118.921 119.950 -0.048 0.000 2.765 494 F HA 0.286 4.811 4.527 -0.004 0.000 0.302 494 F C 0.364 176.130 175.800 -0.056 0.000 1.111 494 F CA -1.342 56.634 58.000 -0.040 0.000 1.359 494 F CB -1.881 37.109 39.000 -0.017 0.000 1.097 494 F HN -0.257 nan 8.300 nan 0.000 0.577 495 N N 1.950 120.334 118.700 -0.527 0.000 2.441 495 N HA -0.019 4.719 4.740 -0.004 0.000 0.251 495 N C -0.361 175.069 175.510 -0.134 0.000 1.242 495 N CA -0.172 52.702 53.050 -0.294 0.000 0.898 495 N CB 0.410 38.692 38.487 -0.341 0.000 1.100 495 N HN 0.322 nan 8.380 nan 0.000 0.443 496 E N 1.326 121.483 120.200 -0.071 0.000 2.290 496 E HA 0.223 4.571 4.350 -0.004 0.000 0.277 496 E C -0.796 175.760 176.600 -0.073 0.000 1.035 496 E CA -0.483 55.889 56.400 -0.047 0.000 0.873 496 E CB 0.507 30.195 29.700 -0.019 0.000 1.029 496 E HN 0.349 nan 8.360 nan 0.000 0.419 497 V N 1.355 121.221 119.914 -0.080 0.000 3.188 497 V HA 0.575 4.693 4.120 -0.004 0.000 0.305 497 V C -2.667 173.382 176.094 -0.076 0.000 1.232 497 V CA -2.217 60.024 62.300 -0.098 0.000 1.043 497 V CB 1.049 32.767 31.823 -0.176 0.000 1.068 497 V HN 0.538 nan 8.190 nan 0.000 0.439 498 P HA 0.367 nan 4.420 nan 0.000 0.268 498 P C 0.926 178.195 177.300 -0.052 0.000 1.208 498 P CA 0.537 63.613 63.100 -0.040 0.000 0.777 498 P CB 0.872 32.559 31.700 -0.021 0.000 0.875 499 A N 2.457 125.260 122.820 -0.028 0.000 1.948 499 A HA -0.212 4.105 4.320 -0.004 0.000 0.220 499 A C 2.035 179.605 177.584 -0.023 0.000 1.177 499 A CA 1.558 53.581 52.037 -0.024 0.000 0.636 499 A CB -1.379 17.616 19.000 -0.008 0.000 0.815 499 A HN 0.667 nan 8.150 nan 0.000 0.449 500 I N -0.592 119.971 120.570 -0.012 0.000 2.315 500 I HA -0.181 3.986 4.170 -0.004 0.000 0.248 500 I C 2.193 178.313 176.117 0.006 0.000 1.117 500 I CA 1.065 62.370 61.300 0.008 0.000 1.404 500 I CB 0.023 38.038 38.000 0.025 0.000 1.071 500 I HN 0.178 nan 8.210 nan 0.000 0.419 501 V N 0.102 119.980 119.914 -0.059 0.000 2.287 501 V HA -0.303 3.815 4.120 -0.004 0.000 0.248 501 V C 2.537 178.473 176.094 -0.264 0.000 1.053 501 V CA 2.260 64.417 62.300 -0.239 0.000 1.027 501 V CB -0.708 30.879 31.823 -0.393 0.000 0.646 501 V HN 0.408 nan 8.190 nan 0.000 0.447 502 S N -0.685 114.915 115.700 -0.167 0.000 2.368 502 S HA -0.231 4.237 4.470 -0.004 0.000 0.225 502 S C 1.934 176.508 174.600 -0.044 0.000 1.030 502 S CA 1.710 59.842 58.200 -0.114 0.000 0.999 502 S CB -0.275 62.885 63.200 -0.068 0.000 0.844 502 S HN 0.706 nan 8.310 nan 0.000 0.459 503 E N 0.705 120.896 120.200 -0.013 0.000 2.077 503 E HA -0.140 4.207 4.350 -0.004 0.000 0.193 503 E C 2.401 179.032 176.600 0.052 0.000 0.989 503 E CA 0.894 57.306 56.400 0.020 0.000 0.800 503 E CB -0.070 29.644 29.700 0.024 0.000 0.746 503 E HN 0.425 nan 8.360 nan 0.000 0.452 504 Q N 0.292 120.146 119.800 0.090 0.000 2.119 504 Q HA -0.136 4.201 4.340 -0.004 0.000 0.201 504 Q C 2.185 178.311 176.000 0.209 0.000 0.972 504 Q CA 0.838 56.746 55.803 0.174 0.000 0.847 504 Q CB -0.188 28.729 28.738 0.299 0.000 0.903 504 Q HN 0.209 nan 8.270 nan 0.000 0.433 505 R N 1.043 121.644 120.500 0.167 0.000 2.083 505 R HA -0.189 4.149 4.340 -0.004 0.000 0.237 505 R C 2.190 178.535 176.300 0.074 0.000 1.137 505 R CA 1.746 57.919 56.100 0.121 0.000 0.951 505 R CB 0.032 30.318 30.300 -0.023 0.000 0.851 505 R HN 0.301 nan 8.270 nan 0.000 0.434 506 Q N -0.332 119.498 119.800 0.051 0.000 2.096 506 Q HA -0.174 4.164 4.340 -0.004 0.000 0.204 506 Q C 2.285 178.319 176.000 0.057 0.000 0.982 506 Q CA 2.047 57.879 55.803 0.049 0.000 0.850 506 Q CB 0.046 28.807 28.738 0.039 0.000 0.901 506 Q HN 0.115 nan 8.270 nan 0.000 0.422 507 K N 0.764 121.202 120.400 0.063 0.000 2.097 507 K HA -0.188 4.130 4.320 -0.004 0.000 0.206 507 K C 1.887 178.523 176.600 0.060 0.000 1.049 507 K CA 1.457 57.779 56.287 0.059 0.000 0.933 507 K CB -0.361 32.173 32.500 0.057 0.000 0.717 507 K HN 0.469 nan 8.250 nan 0.000 0.442 508 E N 0.456 120.696 120.200 0.067 0.000 2.058 508 E HA -0.181 4.167 4.350 -0.004 0.000 0.194 508 E C 2.067 178.705 176.600 0.062 0.000 0.997 508 E CA 1.515 57.947 56.400 0.055 0.000 0.801 508 E CB -0.147 29.577 29.700 0.040 0.000 0.746 508 E HN 0.347 nan 8.360 nan 0.000 0.450 509 L N 0.560 121.818 121.223 0.059 0.000 2.046 509 L HA -0.177 4.160 4.340 -0.004 0.000 0.208 509 L C 2.489 179.408 176.870 0.083 0.000 1.077 509 L CA 1.363 56.244 54.840 0.067 0.000 0.747 509 L CB -0.366 41.729 42.059 0.061 0.000 0.896 509 L HN 0.196 nan 8.230 nan 0.000 0.432 510 E N -0.393 119.850 120.200 0.072 0.000 2.058 510 E HA -0.314 4.033 4.350 -0.004 0.000 0.194 510 E C 2.139 178.782 176.600 0.071 0.000 0.997 510 E CA 1.351 57.792 56.400 0.069 0.000 0.801 510 E CB -0.091 29.642 29.700 0.056 0.000 0.746 510 E HN 0.291 nan 8.360 nan 0.000 0.450 511 Q N 0.916 120.757 119.800 0.069 0.000 2.124 511 Q HA -0.145 4.193 4.340 -0.004 0.000 0.202 511 Q C 1.925 177.987 176.000 0.104 0.000 0.977 511 Q CA 1.490 57.334 55.803 0.067 0.000 0.850 511 Q CB 0.061 28.833 28.738 0.056 0.000 0.901 511 Q HN 0.077 nan 8.270 nan 0.000 0.429 512 R N 0.045 120.640 120.500 0.158 0.000 2.092 512 R HA -0.043 4.294 4.340 -0.004 0.000 0.231 512 R C 2.052 178.511 176.300 0.265 0.000 1.119 512 R CA 1.298 57.574 56.100 0.295 0.000 0.970 512 R CB -0.226 30.232 30.300 0.265 0.000 0.864 512 R HN 0.308 nan 8.270 nan 0.000 0.440 513 K N 0.643 121.139 120.400 0.160 0.000 2.360 513 K HA -0.042 4.275 4.320 -0.004 0.000 0.201 513 K C 1.996 178.644 176.600 0.080 0.000 1.046 513 K CA 0.774 57.134 56.287 0.122 0.000 0.945 513 K CB 0.004 32.571 32.500 0.112 0.000 0.750 513 K HN 0.159 nan 8.250 nan 0.000 0.464 514 L N -0.516 120.742 121.223 0.057 0.000 2.249 514 L HA -0.030 4.308 4.340 -0.004 0.000 0.207 514 L C 2.100 178.938 176.870 -0.054 0.000 1.090 514 L CA 0.775 55.620 54.840 0.008 0.000 0.802 514 L CB -0.219 41.841 42.059 0.002 0.000 0.947 514 L HN 0.034 nan 8.230 nan 0.000 0.453 515 T N -1.550 112.953 114.554 -0.086 0.000 2.894 515 T HA -0.040 4.307 4.350 -0.004 0.000 0.258 515 T C -0.030 174.405 174.700 -0.443 0.000 1.043 515 T CA 0.952 62.869 62.100 -0.304 0.000 1.141 515 T CB -0.103 68.523 68.868 -0.403 0.000 0.873 515 T HN 0.045 nan 8.240 nan 0.000 0.449 516 Y N 1.961 122.207 120.300 -0.090 0.000 2.491 516 Y HA 0.516 5.064 4.550 -0.004 0.000 0.334 516 Y C 0.247 176.028 175.900 -0.198 0.000 0.969 516 Y CA -0.896 57.118 58.100 -0.143 0.000 1.241 516 Y CB 0.602 39.017 38.460 -0.075 0.000 1.105 516 Y HN 0.041 nan 8.280 nan 0.000 0.503 517 Q N 1.869 121.598 119.800 -0.118 0.000 2.377 517 Q HA 0.323 4.660 4.340 -0.004 0.000 0.271 517 Q C -1.129 174.746 176.000 -0.207 0.000 1.077 517 Q CA -1.029 54.692 55.803 -0.136 0.000 0.820 517 Q CB 2.198 30.907 28.738 -0.048 0.000 1.347 517 Q HN 0.620 nan 8.270 nan 0.000 0.444 518 W N 1.177 122.437 121.300 -0.066 0.000 2.137 518 W HA 0.225 4.883 4.660 -0.004 0.000 0.344 518 W C 0.329 176.645 176.519 -0.338 0.000 1.286 518 W CA 0.669 57.877 57.345 -0.228 0.000 1.240 518 W CB 0.556 29.903 29.460 -0.187 0.000 1.141 518 W HN 0.589 nan 8.180 nan 0.000 0.579 519 D N -0.316 119.892 120.400 -0.320 0.000 2.671 519 D HA 0.417 5.054 4.640 -0.004 0.000 0.273 519 D C -2.033 173.822 176.300 -0.743 0.000 1.264 519 D CA -0.807 52.957 54.000 -0.392 0.000 0.788 519 D CB 0.986 41.702 40.800 -0.141 0.000 1.324 519 D HN 0.228 nan 8.370 nan 0.000 0.424 520 Y N 0.457 120.790 120.300 0.055 0.000 2.441 520 Y HA 0.290 4.838 4.550 -0.004 0.000 0.334 520 Y C 0.872 176.766 175.900 -0.011 0.000 1.061 520 Y CA -0.989 57.118 58.100 0.011 0.000 1.032 520 Y CB 2.022 40.475 38.460 -0.012 0.000 1.266 520 Y HN 0.139 nan 8.280 nan 0.000 0.441 521 V N 0.986 120.958 119.914 0.098 0.000 2.343 521 V HA -0.146 3.971 4.120 -0.004 0.000 0.247 521 V C 0.739 176.864 176.094 0.052 0.000 1.051 521 V CA 1.992 64.317 62.300 0.040 0.000 1.036 521 V CB -0.421 31.395 31.823 -0.012 0.000 0.654 521 V HN 0.859 nan 8.190 nan 0.000 0.451 522 S N -2.629 113.112 115.700 0.069 0.000 2.683 522 S HA 0.248 4.716 4.470 -0.004 0.000 0.269 522 S C -0.151 174.459 174.600 0.016 0.000 1.165 522 S CA -0.318 57.906 58.200 0.039 0.000 0.840 522 S CB 1.064 64.277 63.200 0.021 0.000 1.169 522 S HN 0.037 nan 8.310 nan 0.000 0.490 523 D N 0.785 121.175 120.400 -0.016 0.000 2.264 523 D HA 0.065 4.702 4.640 -0.004 0.000 0.208 523 D C 0.156 176.478 176.300 0.036 0.000 0.966 523 D CA 1.052 55.013 54.000 -0.065 0.000 0.864 523 D CB -0.191 40.580 40.800 -0.048 0.000 0.933 523 D HN 0.526 nan 8.370 nan 0.000 0.499 524 D N -0.415 120.067 120.400 0.138 0.000 2.427 524 D HA 0.074 4.712 4.640 -0.004 0.000 0.224 524 D C 0.337 176.804 176.300 0.278 0.000 1.157 524 D CA 0.011 54.214 54.000 0.338 0.000 0.828 524 D CB 0.606 41.554 40.800 0.247 0.000 0.974 524 D HN 0.086 nan 8.370 nan 0.000 0.498 525 M N 1.167 120.792 119.600 0.041 0.000 2.530 525 M HA 0.351 4.828 4.480 -0.004 0.000 0.307 525 M C -2.591 173.440 176.300 -0.448 0.000 1.161 525 M CA -2.445 52.678 55.300 -0.294 0.000 0.903 525 M CB 2.292 34.797 32.600 -0.158 0.000 1.711 525 M HN -0.331 nan 8.290 nan 0.000 0.451 526 P HA 0.116 nan 4.420 nan 0.000 0.268 526 P C 0.207 177.480 177.300 -0.044 0.000 1.205 526 P CA -0.075 62.696 63.100 -0.549 0.000 0.771 526 P CB 0.157 31.438 31.700 -0.698 0.000 0.858 527 G N 3.333 112.237 108.800 0.173 0.000 2.321 527 G HA2 0.046 4.003 3.960 -0.004 0.000 0.237 527 G HA3 0.046 4.003 3.960 -0.004 0.000 0.237 527 G C 0.282 175.345 174.900 0.273 0.000 1.282 527 G CA -0.436 44.787 45.100 0.206 0.000 0.886 527 G HN 0.753 nan 8.290 nan 0.000 0.528 528 N N 1.448 120.189 118.700 0.068 0.000 2.531 528 N HA 0.365 5.103 4.740 -0.004 0.000 0.290 528 N C -0.489 174.987 175.510 -0.057 0.000 1.257 528 N CA -1.072 51.993 53.050 0.026 0.000 0.863 528 N CB 2.008 40.482 38.487 -0.022 0.000 1.320 528 N HN 0.409 nan 8.380 nan 0.000 0.538 529 I N 0.032 120.552 120.570 -0.083 0.000 2.588 529 I HA 0.036 4.204 4.170 -0.004 0.000 0.283 529 I C 0.635 176.681 176.117 -0.118 0.000 1.119 529 I CA -0.333 60.891 61.300 -0.127 0.000 1.419 529 I CB 0.469 38.411 38.000 -0.097 0.000 1.394 529 I HN 0.483 nan 8.210 nan 0.000 0.562 530 K N 6.984 127.307 120.400 -0.127 0.000 2.349 530 K HA 0.599 4.917 4.320 -0.004 0.000 0.288 530 K C -1.191 175.338 176.600 -0.119 0.000 1.058 530 K CA -0.227 55.998 56.287 -0.105 0.000 0.953 530 K CB 0.535 32.984 32.500 -0.084 0.000 0.997 530 K HN 0.748 nan 8.250 nan 0.000 0.477 531 A N 4.450 127.207 122.820 -0.104 0.000 2.547 531 A HA 0.182 4.499 4.320 -0.004 0.000 0.298 531 A C 0.041 177.575 177.584 -0.084 0.000 1.062 531 A CA -0.904 51.065 52.037 -0.114 0.000 0.748 531 A CB 0.981 19.895 19.000 -0.143 0.000 1.288 531 A HN 0.748 nan 8.150 nan 0.000 0.396 532 K N 0.829 121.183 120.400 -0.076 0.000 1.984 532 K HA 0.018 4.336 4.320 -0.004 0.000 0.209 532 K C 0.813 177.385 176.600 -0.047 0.000 1.046 532 K CA 2.325 58.579 56.287 -0.054 0.000 0.934 532 K CB -1.009 31.461 32.500 -0.049 0.000 0.717 532 K HN 1.134 nan 8.250 nan 0.000 0.438 533 T N -2.914 111.609 114.554 -0.052 0.000 2.831 533 T HA 0.205 4.552 4.350 -0.004 0.000 0.287 533 T C 0.987 175.666 174.700 -0.034 0.000 1.070 533 T CA -0.703 61.382 62.100 -0.025 0.000 1.010 533 T CB 1.575 70.441 68.868 -0.002 0.000 1.264 533 T HN 0.281 nan 8.240 nan 0.000 0.532 534 H N 0.621 119.628 119.070 -0.104 0.000 2.319 534 H HA -0.116 4.438 4.556 -0.004 0.000 0.299 534 H C 0.755 176.010 175.328 -0.122 0.000 1.092 534 H CA 2.360 58.326 56.048 -0.136 0.000 1.302 534 H CB -0.292 29.386 29.762 -0.141 0.000 1.373 534 H HN 0.611 nan 8.280 nan 0.000 0.497 535 D N 0.542 120.950 120.400 0.012 0.000 2.378 535 D HA -0.082 4.556 4.640 -0.004 0.000 0.222 535 D C 1.224 177.435 176.300 -0.148 0.000 0.980 535 D CA 0.468 54.429 54.000 -0.065 0.000 0.907 535 D CB -0.267 40.540 40.800 0.012 0.000 0.899 535 D HN 0.486 nan 8.370 nan 0.000 0.527 536 D N -0.007 120.301 120.400 -0.153 0.000 2.349 536 D HA 0.035 4.673 4.640 -0.004 0.000 0.215 536 D C 0.929 177.090 176.300 -0.232 0.000 1.016 536 D CA 0.035 53.935 54.000 -0.167 0.000 0.870 536 D CB 0.738 41.460 40.800 -0.130 0.000 0.917 536 D HN 0.236 nan 8.370 nan 0.000 0.524 537 L N 1.631 122.673 121.223 -0.303 0.000 2.452 537 L HA 0.165 4.503 4.340 -0.004 0.000 0.267 537 L C -1.994 174.672 176.870 -0.340 0.000 1.188 537 L CA -1.607 53.029 54.840 -0.341 0.000 0.821 537 L CB -0.021 41.791 42.059 -0.412 0.000 1.102 537 L HN -0.274 nan 8.230 nan 0.000 0.470 538 P HA 0.018 nan 4.420 nan 0.000 0.267 538 P C 0.075 177.208 177.300 -0.277 0.000 1.200 538 P CA -0.037 62.851 63.100 -0.353 0.000 0.772 538 P CB 0.516 31.911 31.700 -0.507 0.000 0.855 539 R N 1.950 122.304 120.500 -0.243 0.000 2.096 539 R HA -0.151 4.186 4.340 -0.004 0.000 0.235 539 R C 1.154 177.413 176.300 -0.068 0.000 1.127 539 R CA 1.464 57.385 56.100 -0.299 0.000 0.968 539 R CB -0.376 29.586 30.300 -0.563 0.000 0.861 539 R HN 0.481 nan 8.270 nan 0.000 0.440 540 D N -0.287 120.171 120.400 0.097 0.000 2.315 540 D HA -0.130 4.508 4.640 -0.004 0.000 0.211 540 D C 1.370 177.793 176.300 0.204 0.000 0.977 540 D CA 1.475 55.647 54.000 0.287 0.000 0.894 540 D CB 0.283 41.139 40.800 0.094 0.000 0.910 540 D HN 0.323 nan 8.370 nan 0.000 0.490 541 V N -3.177 116.743 119.914 0.011 0.000 3.432 541 V HA 0.228 4.345 4.120 -0.004 0.000 0.298 541 V C 0.581 176.675 176.094 0.001 0.000 1.464 541 V CA -0.504 61.816 62.300 0.032 0.000 1.046 541 V CB 0.060 31.779 31.823 -0.174 0.000 0.887 541 V HN -0.154 nan 8.190 nan 0.000 0.441 542 Q N 0.431 120.220 119.800 -0.017 0.000 2.382 542 Q HA 0.383 4.720 4.340 -0.004 0.000 0.229 542 Q C -0.555 175.660 176.000 0.359 0.000 1.006 542 Q CA -0.673 55.070 55.803 -0.100 0.000 0.916 542 Q CB 0.775 29.404 28.738 -0.182 0.000 1.235 542 Q HN 0.445 nan 8.270 nan 0.000 0.512 543 F N 1.268 121.500 119.950 0.469 0.000 2.595 543 F HA -0.053 4.473 4.527 -0.003 0.000 0.359 543 F C 1.207 177.224 175.800 0.360 0.000 1.147 543 F CA -0.324 57.890 58.000 0.356 0.000 1.341 543 F CB 0.016 39.138 39.000 0.203 0.000 1.104 543 F HN 0.484 nan 8.300 nan 0.000 0.603 544 T N -0.427 114.471 114.554 0.572 0.000 2.791 544 T HA -0.032 4.316 4.350 -0.004 0.000 0.323 544 T C 1.010 175.869 174.700 0.266 0.000 1.082 544 T CA -0.559 61.744 62.100 0.339 0.000 1.084 544 T CB 0.594 69.581 68.868 0.198 0.000 0.992 544 T HN 0.495 nan 8.240 nan 0.000 0.547 545 D N 0.910 121.446 120.400 0.226 0.000 2.178 545 D HA -0.058 4.580 4.640 -0.004 0.000 0.202 545 D C 2.032 178.408 176.300 0.125 0.000 0.974 545 D CA 1.148 55.264 54.000 0.194 0.000 0.841 545 D CB -0.132 40.808 40.800 0.234 0.000 0.953 545 D HN 0.739 nan 8.370 nan 0.000 0.478 546 E N 0.706 120.962 120.200 0.094 0.000 2.070 546 E HA -0.205 4.143 4.350 -0.004 0.000 0.197 546 E C 1.870 178.471 176.600 0.002 0.000 1.004 546 E CA 1.145 57.574 56.400 0.048 0.000 0.805 546 E CB -0.026 29.694 29.700 0.034 0.000 0.744 546 E HN -0.041 nan 8.360 nan 0.000 0.451 547 K N 0.287 120.654 120.400 -0.055 0.000 2.296 547 K HA 0.123 4.440 4.320 -0.004 0.000 0.200 547 K C 1.914 178.325 176.600 -0.316 0.000 1.048 547 K CA 0.769 56.870 56.287 -0.309 0.000 0.966 547 K CB -0.191 31.945 32.500 -0.606 0.000 0.754 547 K HN -0.008 nan 8.250 nan 0.000 0.466 548 S N 0.365 116.059 115.700 -0.010 0.000 2.368 548 S HA -0.083 4.385 4.470 -0.004 0.000 0.224 548 S C 1.918 176.606 174.600 0.146 0.000 1.029 548 S CA 1.163 59.466 58.200 0.172 0.000 0.988 548 S CB -0.190 63.124 63.200 0.190 0.000 0.838 548 S HN 0.380 nan 8.310 nan 0.000 0.462 549 R N 0.955 121.509 120.500 0.091 0.000 2.070 549 R HA -0.078 4.259 4.340 -0.004 0.000 0.233 549 R C 2.596 178.935 176.300 0.066 0.000 1.137 549 R CA 1.678 57.822 56.100 0.074 0.000 0.945 549 R CB -0.686 29.652 30.300 0.063 0.000 0.845 549 R HN 0.361 nan 8.270 nan 0.000 0.430 550 S N -0.431 115.298 115.700 0.048 0.000 2.372 550 S HA -0.257 4.210 4.470 -0.004 0.000 0.227 550 S C 1.822 176.475 174.600 0.089 0.000 1.044 550 S CA 1.730 59.961 58.200 0.051 0.000 1.050 550 S CB -0.532 62.681 63.200 0.021 0.000 0.901 550 S HN 0.566 nan 8.310 nan 0.000 0.447 551 Y N 1.581 121.864 120.300 -0.027 0.000 2.133 551 Y HA -0.065 4.482 4.550 -0.005 0.000 0.287 551 Y C 2.479 178.416 175.900 0.063 0.000 1.134 551 Y CA 2.159 60.276 58.100 0.028 0.000 1.133 551 Y CB -0.934 37.579 38.460 0.089 0.000 0.987 551 Y HN 0.361 nan 8.280 nan 0.000 0.502 552 Q N -0.089 119.677 119.800 -0.056 0.000 2.077 552 Q HA -0.227 4.110 4.340 -0.004 0.000 0.206 552 Q C 2.121 178.062 176.000 -0.098 0.000 0.989 552 Q CA 1.862 57.586 55.803 -0.132 0.000 0.853 552 Q CB -0.174 28.572 28.738 0.013 0.000 0.907 552 Q HN 0.428 nan 8.270 nan 0.000 0.418 553 E N 0.120 120.311 120.200 -0.015 0.000 2.118 553 E HA -0.167 4.180 4.350 -0.004 0.000 0.195 553 E C 2.166 178.797 176.600 0.053 0.000 0.992 553 E CA 1.555 57.967 56.400 0.021 0.000 0.804 553 E CB -0.300 29.429 29.700 0.048 0.000 0.741 553 E HN 0.397 nan 8.360 nan 0.000 0.458 554 S N 0.556 116.287 115.700 0.051 0.000 2.406 554 S HA -0.058 4.409 4.470 -0.004 0.000 0.228 554 S C 1.869 176.576 174.600 0.179 0.000 1.020 554 S CA 0.372 58.683 58.200 0.186 0.000 0.965 554 S CB -0.037 63.190 63.200 0.046 0.000 0.798 554 S HN 0.105 nan 8.310 nan 0.000 0.488 555 R N 1.779 122.253 120.500 -0.042 0.000 2.075 555 R HA 0.069 4.407 4.340 -0.004 0.000 0.232 555 R C 2.346 178.643 176.300 -0.004 0.000 1.126 555 R CA 1.312 57.380 56.100 -0.053 0.000 0.963 555 R CB -0.531 29.640 30.300 -0.215 0.000 0.858 555 R HN 0.548 nan 8.270 nan 0.000 0.435 556 K N 0.754 121.142 120.400 -0.020 0.000 2.032 556 K HA -0.090 4.227 4.320 -0.004 0.000 0.209 556 K C 2.240 178.823 176.600 -0.028 0.000 1.048 556 K CA 1.601 57.876 56.287 -0.019 0.000 0.927 556 K CB -0.246 32.243 32.500 -0.019 0.000 0.712 556 K HN 0.125 nan 8.250 nan 0.000 0.441 557 A N 1.626 124.445 122.820 -0.002 0.000 1.902 557 A HA -0.099 4.218 4.320 -0.004 0.000 0.217 557 A C 2.421 179.885 177.584 -0.200 0.000 1.181 557 A CA 1.754 53.736 52.037 -0.093 0.000 0.623 557 A CB -0.747 18.242 19.000 -0.019 0.000 0.818 557 A HN 0.338 nan 8.150 nan 0.000 0.443 558 A N -0.161 122.667 122.820 0.012 0.000 1.917 558 A HA -0.135 4.183 4.320 -0.004 0.000 0.219 558 A C 2.191 179.783 177.584 0.013 0.000 1.182 558 A CA 1.697 53.817 52.037 0.137 0.000 0.633 558 A CB -0.645 18.583 19.000 0.380 0.000 0.819 558 A HN 0.489 nan 8.150 nan 0.000 0.448 559 L N -0.820 120.398 121.223 -0.009 0.000 2.056 559 L HA -0.146 4.191 4.340 -0.004 0.000 0.207 559 L C 2.568 179.387 176.870 -0.086 0.000 1.078 559 L CA 1.027 55.852 54.840 -0.025 0.000 0.749 559 L CB -0.528 41.518 42.059 -0.022 0.000 0.901 559 L HN 0.259 nan 8.230 nan 0.000 0.433 560 V N 0.190 120.024 119.914 -0.135 0.000 2.261 560 V HA -0.286 3.832 4.120 -0.004 0.000 0.246 560 V C 2.218 178.151 176.094 -0.268 0.000 1.047 560 V CA 1.964 64.161 62.300 -0.172 0.000 1.015 560 V CB -0.685 31.037 31.823 -0.168 0.000 0.642 560 V HN 0.493 nan 8.190 nan 0.000 0.446 561 N N 0.099 118.511 118.700 -0.480 0.000 2.166 561 N HA -0.108 4.629 4.740 -0.004 0.000 0.186 561 N C 1.775 177.039 175.510 -0.410 0.000 1.019 561 N CA 1.255 53.854 53.050 -0.753 0.000 0.856 561 N CB -0.451 36.936 38.487 -1.833 0.000 0.993 561 N HN 0.397 nan 8.380 nan 0.000 0.426 562 L N 0.215 121.340 121.223 -0.164 0.000 2.017 562 L HA -0.088 4.250 4.340 -0.004 0.000 0.208 562 L C 2.434 179.292 176.870 -0.020 0.000 1.073 562 L CA 1.457 56.330 54.840 0.054 0.000 0.745 562 L CB -0.821 41.305 42.059 0.111 0.000 0.894 562 L HN 0.217 nan 8.230 nan 0.000 0.432 563 G N -0.046 108.716 108.800 -0.062 0.000 2.402 563 G HA2 -0.193 3.764 3.960 -0.004 0.000 0.216 563 G HA3 -0.193 3.764 3.960 -0.004 0.000 0.216 563 G C 1.580 176.444 174.900 -0.061 0.000 1.162 563 G CA 0.583 45.647 45.100 -0.060 0.000 0.777 563 G HN 0.255 nan 8.290 nan 0.000 0.539 564 I N 1.237 121.754 120.570 -0.087 0.000 2.179 564 I HA -0.108 4.060 4.170 -0.004 0.000 0.242 564 I C 3.098 179.206 176.117 -0.015 0.000 1.088 564 I CA 1.138 62.398 61.300 -0.067 0.000 1.357 564 I CB -0.548 37.379 38.000 -0.122 0.000 1.051 564 I HN 0.258 nan 8.210 nan 0.000 0.409 565 G N -0.313 108.469 108.800 -0.031 0.000 2.422 565 G HA2 -0.295 3.662 3.960 -0.004 0.000 0.218 565 G HA3 -0.295 3.662 3.960 -0.004 0.000 0.218 565 G C 1.783 176.719 174.900 0.061 0.000 1.146 565 G CA 1.075 46.205 45.100 0.050 0.000 0.769 565 G HN 0.409 nan 8.290 nan 0.000 0.547 566 S N 0.005 115.703 115.700 -0.004 0.000 2.356 566 S HA -0.027 4.440 4.470 -0.004 0.000 0.223 566 S C 2.442 176.980 174.600 -0.103 0.000 1.032 566 S CA 1.107 59.266 58.200 -0.069 0.000 1.005 566 S CB -0.314 62.837 63.200 -0.081 0.000 0.867 566 S HN 0.330 nan 8.310 nan 0.000 0.449 567 L N -0.205 120.978 121.223 -0.066 0.000 1.990 567 L HA -0.121 4.217 4.340 -0.004 0.000 0.213 567 L C 2.382 179.219 176.870 -0.055 0.000 1.072 567 L CA 2.156 56.951 54.840 -0.075 0.000 0.755 567 L CB -0.644 41.403 42.059 -0.021 0.000 0.889 567 L HN 0.407 nan 8.230 nan 0.000 0.432 568 F N 0.809 120.709 119.950 -0.084 0.000 2.134 568 F HA -0.228 4.297 4.527 -0.003 0.000 0.299 568 F C 2.551 178.325 175.800 -0.044 0.000 1.097 568 F CA 1.854 59.827 58.000 -0.045 0.000 1.264 568 F CB -0.110 38.878 39.000 -0.021 0.000 1.001 568 F HN 0.123 nan 8.300 nan 0.000 0.479 569 T N -2.303 112.292 114.554 0.069 0.000 3.122 569 T HA 0.040 4.388 4.350 -0.004 0.000 0.250 569 T C 1.733 176.314 174.700 -0.199 0.000 1.067 569 T CA 0.252 62.359 62.100 0.011 0.000 0.966 569 T CB -0.465 68.475 68.868 0.119 0.000 1.002 569 T HN 0.412 nan 8.240 nan 0.000 0.542 570 M N 0.775 120.156 119.600 -0.366 0.000 2.108 570 M HA -0.039 4.438 4.480 -0.004 0.000 0.257 570 M C 0.194 176.042 176.300 -0.753 0.000 1.071 570 M CA 1.982 56.871 55.300 -0.685 0.000 1.093 570 M CB -0.255 31.696 32.600 -1.081 0.000 1.345 570 M HN 0.431 nan 8.290 nan 0.000 0.403 571 F N 0.000 119.899 119.950 -0.086 0.000 2.850 571 F HA 0.317 4.842 4.527 -0.004 0.000 0.306 571 F C -0.094 175.683 175.800 -0.039 0.000 1.162 571 F CA -0.794 57.165 58.000 -0.068 0.000 1.327 571 F CB 0.050 39.008 39.000 -0.069 0.000 0.953 571 F HN -0.010 nan 8.300 nan 0.000 0.507 572 E N 1.203 121.447 120.200 0.072 0.000 2.283 572 E HA 0.327 4.674 4.350 -0.004 0.000 0.278 572 E C 0.217 176.909 176.600 0.153 0.000 1.027 572 E CA -0.304 56.187 56.400 0.151 0.000 0.843 572 E CB 0.850 30.720 29.700 0.283 0.000 1.062 572 E HN 0.460 nan 8.360 nan 0.000 0.401 573 N N 3.754 122.548 118.700 0.157 0.000 2.422 573 N HA 0.056 4.793 4.740 -0.004 0.000 0.266 573 N C -1.055 174.603 175.510 0.248 0.000 1.007 573 N CA -0.549 52.591 53.050 0.150 0.000 0.941 573 N CB 0.681 39.219 38.487 0.086 0.000 1.115 573 N HN 0.452 nan 8.380 nan 0.000 0.492 574 W N 1.788 123.035 121.300 -0.088 0.000 2.388 574 W HA 0.221 4.878 4.660 -0.005 0.000 0.308 574 W C -0.433 176.034 176.519 -0.087 0.000 1.263 574 W CA -0.163 57.105 57.345 -0.128 0.000 1.286 574 W CB 1.008 30.343 29.460 -0.208 0.000 1.294 574 W HN 0.911 nan 8.180 nan 0.000 0.493 575 D N 1.866 122.267 120.400 0.002 0.000 2.594 575 D HA 0.059 4.697 4.640 -0.004 0.000 0.256 575 D C -0.352 175.886 176.300 -0.103 0.000 1.393 575 D CA -0.077 53.907 54.000 -0.026 0.000 0.797 575 D CB -0.050 40.748 40.800 -0.004 0.000 1.110 575 D HN 0.082 nan 8.370 nan 0.000 0.495 576 S N -1.633 113.967 115.700 -0.168 0.000 2.547 576 S HA 0.338 4.806 4.470 -0.004 0.000 0.270 576 S C 0.269 174.802 174.600 -0.112 0.000 1.150 576 S CA -0.828 57.267 58.200 -0.174 0.000 0.850 576 S CB 0.291 63.447 63.200 -0.073 0.000 1.118 576 S HN -0.055 nan 8.310 nan 0.000 0.461 577 Y N 0.754 121.134 120.300 0.133 0.000 2.193 577 Y HA -0.160 4.387 4.550 -0.004 0.000 0.285 577 Y C 1.872 177.894 175.900 0.204 0.000 1.166 577 Y CA 1.420 59.617 58.100 0.161 0.000 1.181 577 Y CB -0.197 38.462 38.460 0.332 0.000 0.976 577 Y HN 0.628 nan 8.280 nan 0.000 0.520 578 D N -0.138 120.466 120.400 0.341 0.000 2.350 578 D HA -0.123 4.515 4.640 -0.004 0.000 0.216 578 D C 1.293 177.663 176.300 0.117 0.000 0.968 578 D CA 0.822 55.036 54.000 0.358 0.000 0.894 578 D CB -0.314 40.676 40.800 0.316 0.000 0.909 578 D HN 0.422 nan 8.370 nan 0.000 0.520 579 D N -0.335 119.904 120.400 -0.267 0.000 2.219 579 D HA -0.145 4.492 4.640 -0.004 0.000 0.205 579 D C 1.657 177.435 176.300 -0.870 0.000 0.970 579 D CA 0.601 54.107 54.000 -0.824 0.000 0.851 579 D CB -0.324 39.443 40.800 -1.721 0.000 0.943 579 D HN 0.379 nan 8.370 nan 0.000 0.488 580 Y N 0.759 120.742 120.300 -0.528 0.000 2.403 580 Y HA -0.153 4.394 4.550 -0.005 0.000 0.291 580 Y C 2.405 178.315 175.900 0.018 0.000 1.143 580 Y CA 0.852 58.847 58.100 -0.175 0.000 1.257 580 Y CB -0.336 37.893 38.460 -0.385 0.000 0.984 580 Y HN 0.219 nan 8.280 nan 0.000 0.550 581 H N -0.886 118.361 119.070 0.295 0.000 2.457 581 H HA -0.178 4.375 4.556 -0.004 0.000 0.297 581 H C 2.301 177.347 175.328 -0.470 0.000 1.092 581 H CA 1.609 57.580 56.048 -0.130 0.000 1.309 581 H CB -0.391 29.292 29.762 -0.131 0.000 1.382 581 H HN 0.370 nan 8.280 nan 0.000 0.535 582 I N 1.142 121.667 120.570 -0.074 0.000 2.335 582 I HA -0.232 3.936 4.170 -0.004 0.000 0.251 582 I C 2.112 178.213 176.117 -0.027 0.000 1.129 582 I CA 1.021 62.291 61.300 -0.050 0.000 1.402 582 I CB -0.324 37.739 38.000 0.106 0.000 1.069 582 I HN 0.105 nan 8.210 nan 0.000 0.424 583 L N -0.635 120.618 121.223 0.049 0.000 2.313 583 L HA -0.127 4.210 4.340 -0.004 0.000 0.214 583 L C 1.931 178.929 176.870 0.213 0.000 1.119 583 L CA 0.789 55.734 54.840 0.175 0.000 0.809 583 L CB -0.726 41.466 42.059 0.222 0.000 0.933 583 L HN 0.458 nan 8.230 nan 0.000 0.449 584 Y N -1.915 118.515 120.300 0.218 0.000 2.462 584 Y HA 0.215 4.763 4.550 -0.005 0.000 0.261 584 Y C 2.344 178.431 175.900 0.313 0.000 1.146 584 Y CA -0.527 57.690 58.100 0.195 0.000 1.283 584 Y CB -0.625 37.914 38.460 0.132 0.000 1.090 584 Y HN -0.078 nan 8.280 nan 0.000 0.526 585 R N 2.203 122.764 120.500 0.100 0.000 2.092 585 R HA -0.135 4.203 4.340 -0.004 0.000 0.231 585 R C 1.090 177.449 176.300 0.099 0.000 1.119 585 R CA 1.763 57.897 56.100 0.056 0.000 0.970 585 R CB -0.261 29.958 30.300 -0.136 0.000 0.864 585 R HN 0.506 nan 8.270 nan 0.000 0.440 586 N N -0.723 118.024 118.700 0.079 0.000 2.322 586 N HA -0.039 4.698 4.740 -0.004 0.000 0.216 586 N C -1.207 174.170 175.510 -0.221 0.000 1.144 586 N CA -0.054 52.934 53.050 -0.103 0.000 0.830 586 N CB -0.015 38.329 38.487 -0.239 0.000 1.034 586 N HN 0.135 nan 8.380 nan 0.000 0.484 587 W N 0.368 121.658 121.300 -0.016 0.000 2.606 587 W HA 0.511 5.168 4.660 -0.005 0.000 0.332 587 W C -0.025 176.514 176.519 0.032 0.000 1.052 587 W CA -0.907 56.405 57.345 -0.055 0.000 1.223 587 W CB 1.014 30.462 29.460 -0.020 0.000 1.383 587 W HN -0.201 nan 8.180 nan 0.000 0.524 588 I N 4.857 125.568 120.570 0.235 0.000 2.329 588 I HA 0.059 4.227 4.170 -0.004 0.000 0.295 588 I C 0.511 176.869 176.117 0.401 0.000 1.109 588 I CA 0.193 61.655 61.300 0.269 0.000 1.297 588 I CB -0.213 37.931 38.000 0.240 0.000 1.433 588 I HN 0.607 nan 8.210 nan 0.000 0.509 589 L N 4.300 125.710 121.223 0.312 0.000 2.781 589 L HA 0.308 4.645 4.340 -0.004 0.000 0.245 589 L C 1.389 178.378 176.870 0.198 0.000 1.118 589 L CA 0.333 55.346 54.840 0.288 0.000 0.918 589 L CB 0.594 42.798 42.059 0.241 0.000 1.246 589 L HN 0.841 nan 8.230 nan 0.000 0.526 590 G N -0.088 108.814 108.800 0.170 0.000 2.184 590 G HA2 0.008 3.965 3.960 -0.004 0.000 0.206 590 G HA3 0.008 3.965 3.960 -0.004 0.000 0.206 590 G C 0.472 175.427 174.900 0.092 0.000 0.995 590 G CA -0.202 44.975 45.100 0.129 0.000 0.651 590 G HN 0.777 nan 8.290 nan 0.000 0.511 591 G N -1.895 106.960 108.800 0.091 0.000 2.362 591 G HA2 0.455 4.413 3.960 -0.004 0.000 0.656 591 G HA3 0.455 4.413 3.960 -0.004 0.000 0.656 591 G C -0.310 174.602 174.900 0.020 0.000 1.376 591 G CA 0.194 45.328 45.100 0.057 0.000 0.971 591 G HN 1.245 nan 8.290 nan 0.000 0.636 592 T N 3.230 117.780 114.554 -0.007 0.000 2.934 592 T HA 0.387 4.735 4.350 -0.004 0.000 0.306 592 T C -1.890 172.682 174.700 -0.213 0.000 1.042 592 T CA 0.369 62.386 62.100 -0.139 0.000 1.145 592 T CB 0.609 69.453 68.868 -0.039 0.000 0.982 592 T HN 0.466 nan 8.240 nan 0.000 0.544 593 P HA 0.023 nan 4.420 nan 0.000 0.262 593 P C 0.780 177.999 177.300 -0.135 0.000 1.182 593 P CA 0.044 63.014 63.100 -0.216 0.000 0.761 593 P CB 0.169 31.710 31.700 -0.264 0.000 0.795 594 N N 2.840 121.503 118.700 -0.062 0.000 2.521 594 N HA -0.052 4.685 4.740 -0.004 0.000 0.188 594 N C 0.669 176.114 175.510 -0.108 0.000 1.146 594 N CA 0.170 53.171 53.050 -0.082 0.000 0.893 594 N CB -0.161 38.291 38.487 -0.058 0.000 0.975 594 N HN 0.271 nan 8.380 nan 0.000 0.451 595 M N 0.158 119.735 119.600 -0.039 0.000 2.428 595 M HA 0.235 4.712 4.480 -0.004 0.000 0.239 595 M C 1.922 178.288 176.300 0.109 0.000 1.121 595 M CA -0.090 55.218 55.300 0.014 0.000 1.019 595 M CB -0.137 32.523 32.600 0.100 0.000 1.485 595 M HN 0.274 nan 8.290 nan 0.000 0.484 596 A N 1.649 124.481 122.820 0.020 0.000 1.940 596 A HA -0.184 4.134 4.320 -0.004 0.000 0.219 596 A C 1.591 179.246 177.584 0.118 0.000 1.176 596 A CA 2.197 54.226 52.037 -0.014 0.000 0.631 596 A CB -0.605 18.382 19.000 -0.022 0.000 0.814 596 A HN 0.579 nan 8.150 nan 0.000 0.446 597 D N -1.121 119.312 120.400 0.055 0.000 2.339 597 D HA -0.040 4.597 4.640 -0.004 0.000 0.217 597 D C 1.195 177.543 176.300 0.080 0.000 1.050 597 D CA 0.675 54.711 54.000 0.060 0.000 0.856 597 D CB -0.242 40.530 40.800 -0.047 0.000 0.922 597 D HN 0.726 nan 8.370 nan 0.000 0.518 598 R N -0.306 120.222 120.500 0.048 0.000 2.496 598 R HA 0.106 4.444 4.340 -0.004 0.000 0.369 598 R C 1.329 177.540 176.300 -0.148 0.000 0.896 598 R CA -0.533 55.449 56.100 -0.196 0.000 1.147 598 R CB -1.229 28.757 30.300 -0.523 0.000 1.697 598 R HN 0.142 nan 8.270 nan 0.000 0.518 599 W N 2.558 123.916 121.300 0.096 0.000 2.421 599 W HA -0.120 4.537 4.660 -0.005 0.000 0.270 599 W C 0.720 177.349 176.519 0.183 0.000 1.233 599 W CA 1.399 58.861 57.345 0.194 0.000 1.226 599 W CB -0.780 28.875 29.460 0.325 0.000 1.121 599 W HN 0.269 nan 8.180 nan 0.000 0.579 600 H N 0.182 118.579 119.070 -1.120 0.000 2.563 600 H HA 0.274 4.827 4.556 -0.004 0.000 0.264 600 H C -0.439 174.595 175.328 -0.490 0.000 0.957 600 H CA 0.116 55.362 56.048 -1.336 0.000 1.173 600 H CB -0.631 28.040 29.762 -1.819 0.000 1.420 600 H HN 0.161 nan 8.280 nan 0.000 0.551 601 E N 2.052 121.854 120.200 -0.664 0.000 2.290 601 E HA -0.008 4.340 4.350 -0.004 0.000 0.277 601 E C 0.088 176.684 176.600 -0.008 0.000 1.035 601 E CA -0.408 55.838 56.400 -0.257 0.000 0.873 601 E CB 1.121 30.735 29.700 -0.142 0.000 1.029 601 E HN 0.136 nan 8.360 nan 0.000 0.419 602 D N 2.209 122.633 120.400 0.041 0.000 2.149 602 D HA -0.233 4.405 4.640 -0.004 0.000 0.194 602 D C 1.724 178.138 176.300 0.189 0.000 1.001 602 D CA 1.208 55.312 54.000 0.175 0.000 0.849 602 D CB 0.046 40.956 40.800 0.184 0.000 0.939 602 D HN 0.369 nan 8.370 nan 0.000 0.449 603 R N -0.533 119.964 120.500 -0.005 0.000 2.096 603 R HA -0.144 4.193 4.340 -0.004 0.000 0.235 603 R C 1.965 178.094 176.300 -0.285 0.000 1.127 603 R CA 1.191 57.153 56.100 -0.230 0.000 0.968 603 R CB -0.410 29.565 30.300 -0.542 0.000 0.861 603 R HN 0.328 nan 8.270 nan 0.000 0.440 604 W N -0.957 120.387 121.300 0.072 0.000 2.704 604 W HA 0.047 4.705 4.660 -0.003 0.000 0.266 604 W C 1.836 178.495 176.519 0.233 0.000 1.266 604 W CA -0.523 56.874 57.345 0.087 0.000 1.377 604 W CB -0.394 29.038 29.460 -0.046 0.000 1.082 604 W HN 0.005 nan 8.180 nan 0.000 0.608 605 F N 1.300 121.422 119.950 0.287 0.000 2.095 605 F HA -0.143 4.381 4.527 -0.004 0.000 0.298 605 F C 2.221 178.284 175.800 0.438 0.000 1.104 605 F CA 2.434 60.613 58.000 0.300 0.000 1.232 605 F CB -0.771 38.357 39.000 0.214 0.000 0.987 605 F HN -0.133 nan 8.300 nan 0.000 0.475 606 G N -1.790 107.310 108.800 0.498 0.000 2.403 606 G HA2 -0.322 3.636 3.960 -0.004 0.000 0.216 606 G HA3 -0.322 3.636 3.960 -0.004 0.000 0.216 606 G C 1.537 176.583 174.900 0.243 0.000 1.154 606 G CA 0.682 46.046 45.100 0.439 0.000 0.784 606 G HN 0.528 nan 8.290 nan 0.000 0.538 607 Y N 1.219 121.563 120.300 0.073 0.000 2.193 607 Y HA -0.186 4.361 4.550 -0.005 0.000 0.285 607 Y C 2.793 178.721 175.900 0.047 0.000 1.166 607 Y CA 2.172 60.287 58.100 0.025 0.000 1.181 607 Y CB -0.001 38.524 38.460 0.108 0.000 0.976 607 Y HN 0.285 nan 8.280 nan 0.000 0.520 608 Q N -1.255 118.630 119.800 0.142 0.000 2.435 608 Q HA -0.089 4.248 4.340 -0.004 0.000 0.207 608 Q C 1.527 177.341 176.000 -0.309 0.000 0.956 608 Q CA 0.694 56.470 55.803 -0.045 0.000 0.917 608 Q CB -0.159 28.540 28.738 -0.065 0.000 0.997 608 Q HN 0.516 nan 8.270 nan 0.000 0.497 609 F N -0.344 119.435 119.950 -0.285 0.000 2.558 609 F HA -0.060 4.464 4.527 -0.004 0.000 0.298 609 F C 1.595 177.126 175.800 -0.449 0.000 1.119 609 F CA 0.818 58.588 58.000 -0.383 0.000 1.451 609 F CB 0.259 38.895 39.000 -0.607 0.000 1.091 609 F HN 0.041 nan 8.300 nan 0.000 0.563 610 L N -1.292 119.705 121.223 -0.378 0.000 2.362 610 L HA 0.094 4.431 4.340 -0.004 0.000 0.204 610 L C 1.130 177.901 176.870 -0.164 0.000 1.060 610 L CA 0.612 55.126 54.840 -0.543 0.000 0.827 610 L CB -0.167 41.461 42.059 -0.718 0.000 1.027 610 L HN -0.019 nan 8.230 nan 0.000 0.474 611 N N -0.346 118.216 118.700 -0.230 0.000 2.160 611 N HA 0.153 4.891 4.740 -0.004 0.000 0.226 611 N C 0.549 176.230 175.510 0.285 0.000 1.256 611 N CA 0.258 53.291 53.050 -0.027 0.000 0.890 611 N CB 1.523 39.805 38.487 -0.342 0.000 1.116 611 N HN 0.166 nan 8.380 nan 0.000 0.517 612 G N 0.046 108.904 108.800 0.098 0.000 2.641 612 G HA2 0.491 4.448 3.960 -0.004 0.000 0.239 612 G HA3 0.491 4.448 3.960 -0.004 0.000 0.239 612 G C 0.862 175.690 174.900 -0.120 0.000 1.402 612 G CA 0.277 45.444 45.100 0.112 0.000 1.046 612 G HN 0.075 nan 8.290 nan 0.000 0.565 613 A N -1.200 121.313 122.820 -0.512 0.000 2.066 613 A HA 0.098 4.416 4.320 -0.004 0.000 0.218 613 A C 1.415 178.629 177.584 -0.617 0.000 1.157 613 A CA 0.877 52.423 52.037 -0.817 0.000 0.670 613 A CB -0.261 17.796 19.000 -1.572 0.000 0.804 613 A HN 0.535 nan 8.150 nan 0.000 0.453 614 N N 0.166 118.572 118.700 -0.490 0.000 2.818 614 N HA 0.164 4.902 4.740 -0.004 0.000 0.301 614 N C -2.612 172.803 175.510 -0.158 0.000 1.821 614 N CA -1.083 51.858 53.050 -0.181 0.000 0.930 614 N CB 1.005 39.437 38.487 -0.091 0.000 1.263 614 N HN 0.135 nan 8.380 nan 0.000 0.487 615 P HA 0.072 nan 4.420 nan 0.000 0.244 615 P C 0.843 178.094 177.300 -0.082 0.000 1.632 615 P CA 0.203 63.172 63.100 -0.218 0.000 0.944 615 P CB 0.025 31.483 31.700 -0.403 0.000 1.569 616 V N -4.449 115.457 119.914 -0.014 0.000 3.502 616 V HA 0.280 4.398 4.120 -0.004 0.000 0.288 616 V C 1.554 177.698 176.094 0.084 0.000 1.461 616 V CA 0.159 62.512 62.300 0.087 0.000 1.029 616 V CB -0.194 31.708 31.823 0.131 0.000 0.843 616 V HN 0.041 nan 8.190 nan 0.000 0.438 617 I N -0.191 120.381 120.570 0.004 0.000 3.616 617 I HA 0.353 4.521 4.170 -0.004 0.000 0.296 617 I C 0.953 177.010 176.117 -0.100 0.000 1.226 617 I CA -0.154 61.081 61.300 -0.108 0.000 1.394 617 I CB 0.947 38.696 38.000 -0.419 0.000 1.171 617 I HN 0.352 nan 8.210 nan 0.000 0.442 618 L N 2.566 123.746 121.223 -0.071 0.000 2.593 618 L HA 0.006 4.344 4.340 -0.004 0.000 0.287 618 L C 0.163 177.041 176.870 0.013 0.000 1.243 618 L CA 1.212 56.004 54.840 -0.080 0.000 0.890 618 L CB 0.261 42.190 42.059 -0.217 0.000 1.134 618 L HN 0.375 nan 8.230 nan 0.000 0.502 619 T N 2.925 117.529 114.554 0.084 0.000 2.903 619 T HA 0.424 4.772 4.350 -0.004 0.000 0.299 619 T C -0.178 174.655 174.700 0.222 0.000 1.093 619 T CA -1.104 61.083 62.100 0.144 0.000 1.002 619 T CB 1.057 69.968 68.868 0.071 0.000 1.127 619 T HN 0.714 nan 8.240 nan 0.000 0.488 620 R N 0.682 121.285 120.500 0.172 0.000 2.458 620 R HA 0.270 4.607 4.340 -0.004 0.000 0.303 620 R C -0.263 175.938 176.300 -0.166 0.000 1.013 620 R CA -0.396 55.571 56.100 -0.223 0.000 1.026 620 R CB -0.303 29.904 30.300 -0.155 0.000 0.948 620 R HN 0.801 nan 8.270 nan 0.000 0.417 621 C N 5.693 124.857 119.300 -0.227 0.000 2.349 621 C HA 0.188 4.645 4.460 -0.004 0.000 0.348 621 C C 0.643 175.568 174.990 -0.110 0.000 1.223 621 C CA -0.699 58.264 59.018 -0.092 0.000 1.746 621 C CB -0.261 27.461 27.740 -0.029 0.000 2.360 621 C HN 0.808 nan 8.230 nan 0.000 0.533 622 D N 3.159 123.519 120.400 -0.067 0.000 2.360 622 D HA 0.299 4.936 4.640 -0.004 0.000 0.210 622 D C 0.415 176.693 176.300 -0.037 0.000 1.047 622 D CA 0.744 54.708 54.000 -0.060 0.000 0.854 622 D CB 0.625 41.395 40.800 -0.049 0.000 0.936 622 D HN 0.779 nan 8.370 nan 0.000 0.514 623 A N 0.264 123.071 122.820 -0.021 0.000 2.582 623 A HA 0.347 4.664 4.320 -0.004 0.000 0.297 623 A C -0.997 176.592 177.584 0.009 0.000 1.059 623 A CA -0.697 51.333 52.037 -0.012 0.000 0.705 623 A CB 0.879 19.875 19.000 -0.007 0.000 1.279 623 A HN -0.061 nan 8.150 nan 0.000 0.404 624 L N 1.891 123.115 121.223 0.001 0.000 2.514 624 L HA 0.197 4.534 4.340 -0.004 0.000 0.280 624 L C -1.836 175.073 176.870 0.066 0.000 1.223 624 L CA -0.306 54.551 54.840 0.028 0.000 0.864 624 L CB -0.454 41.576 42.059 -0.048 0.000 1.118 624 L HN 0.492 nan 8.230 nan 0.000 0.494 625 P HA 0.069 nan 4.420 nan 0.000 0.272 625 P C 0.717 178.086 177.300 0.115 0.000 1.223 625 P CA -0.217 62.959 63.100 0.126 0.000 0.784 625 P CB 0.603 32.402 31.700 0.165 0.000 0.923 626 S N 1.477 117.224 115.700 0.079 0.000 2.399 626 S HA -0.208 4.259 4.470 -0.004 0.000 0.231 626 S C 1.162 175.807 174.600 0.076 0.000 1.022 626 S CA 1.491 59.726 58.200 0.058 0.000 0.983 626 S CB -1.268 61.956 63.200 0.041 0.000 0.803 626 S HN 0.689 nan 8.310 nan 0.000 0.480 627 N N -0.701 118.061 118.700 0.103 0.000 2.322 627 N HA 0.123 4.860 4.740 -0.004 0.000 0.194 627 N C -0.188 175.449 175.510 0.210 0.000 1.126 627 N CA -0.263 52.855 53.050 0.114 0.000 0.845 627 N CB -0.049 38.487 38.487 0.081 0.000 0.976 627 N HN 0.357 nan 8.380 nan 0.000 0.475 628 F N 2.019 121.975 119.950 0.010 0.000 2.531 628 F HA 0.461 4.986 4.527 -0.004 0.000 0.333 628 F C -2.673 173.126 175.800 -0.002 0.000 1.292 628 F CA -3.389 54.614 58.000 0.004 0.000 1.184 628 F CB 1.340 40.350 39.000 0.017 0.000 1.426 628 F HN -0.006 nan 8.300 nan 0.000 0.559 629 P HA 0.112 nan 4.420 nan 0.000 0.212 629 P C -0.352 176.872 177.300 -0.127 0.000 1.816 629 P CA 0.194 63.253 63.100 -0.068 0.000 0.944 629 P CB 0.341 32.044 31.700 0.005 0.000 1.896 630 V N 1.830 121.540 119.914 -0.341 0.000 2.572 630 V HA 0.164 4.281 4.120 -0.004 0.000 0.291 630 V C 1.391 177.469 176.094 -0.027 0.000 1.039 630 V CA 0.387 62.529 62.300 -0.263 0.000 1.055 630 V CB 0.609 32.090 31.823 -0.569 0.000 0.969 630 V HN 0.432 nan 8.190 nan 0.000 0.482 631 T N 0.833 115.511 114.554 0.206 0.000 2.948 631 T HA 0.286 4.634 4.350 -0.004 0.000 0.285 631 T C 0.925 175.584 174.700 -0.068 0.000 1.019 631 T CA -0.370 61.715 62.100 -0.025 0.000 1.013 631 T CB 1.228 70.005 68.868 -0.152 0.000 1.117 631 T HN 0.474 nan 8.240 nan 0.000 0.533 632 N N 0.617 119.255 118.700 -0.102 0.000 2.149 632 N HA -0.119 4.619 4.740 -0.004 0.000 0.188 632 N C 2.217 177.648 175.510 -0.132 0.000 1.019 632 N CA 2.279 55.263 53.050 -0.110 0.000 0.857 632 N CB -0.553 37.872 38.487 -0.102 0.000 0.997 632 N HN 0.842 nan 8.380 nan 0.000 0.426 633 E N 0.188 120.281 120.200 -0.179 0.000 2.110 633 E HA -0.210 4.138 4.350 -0.004 0.000 0.193 633 E C 1.838 178.311 176.600 -0.212 0.000 0.988 633 E CA 1.579 57.851 56.400 -0.214 0.000 0.804 633 E CB -1.188 28.360 29.700 -0.254 0.000 0.745 633 E HN 0.605 nan 8.360 nan 0.000 0.458 634 H N -0.449 118.552 119.070 -0.115 0.000 2.352 634 H HA -0.066 4.487 4.556 -0.004 0.000 0.299 634 H C 2.315 177.583 175.328 -0.100 0.000 1.097 634 H CA 2.451 58.434 56.048 -0.109 0.000 1.311 634 H CB -0.171 29.516 29.762 -0.125 0.000 1.377 634 H HN 0.523 nan 8.280 nan 0.000 0.504 635 V N -1.646 118.267 119.914 -0.002 0.000 3.528 635 V HA 0.141 4.259 4.120 -0.004 0.000 0.294 635 V C 1.677 177.702 176.094 -0.116 0.000 1.404 635 V CA 0.591 62.864 62.300 -0.045 0.000 1.065 635 V CB 0.009 31.788 31.823 -0.073 0.000 0.904 635 V HN 0.082 nan 8.190 nan 0.000 0.435 636 N N 2.508 121.123 118.700 -0.141 0.000 2.094 636 N HA -0.156 4.581 4.740 -0.004 0.000 0.191 636 N C 1.783 177.180 175.510 -0.189 0.000 1.023 636 N CA 2.098 55.049 53.050 -0.165 0.000 0.857 636 N CB -0.294 38.103 38.487 -0.150 0.000 1.013 636 N HN 0.612 nan 8.380 nan 0.000 0.426 637 A N -1.073 121.591 122.820 -0.261 0.000 2.125 637 A HA -0.011 4.306 4.320 -0.004 0.000 0.219 637 A C 2.173 179.641 177.584 -0.193 0.000 1.156 637 A CA 1.466 53.295 52.037 -0.347 0.000 0.671 637 A CB -0.394 18.151 19.000 -0.760 0.000 0.794 637 A HN 0.344 nan 8.150 nan 0.000 0.459 638 S N -0.718 114.944 115.700 -0.064 0.000 2.501 638 S HA 0.253 4.720 4.470 -0.004 0.000 0.220 638 S C 0.611 175.158 174.600 -0.088 0.000 0.997 638 S CA -0.165 58.060 58.200 0.041 0.000 0.919 638 S CB -0.189 63.054 63.200 0.071 0.000 0.778 638 S HN 0.474 nan 8.310 nan 0.000 0.523 639 L N 2.632 123.700 121.223 -0.259 0.000 2.395 639 L HA 0.289 4.626 4.340 -0.004 0.000 0.269 639 L C 0.450 177.258 176.870 -0.102 0.000 1.133 639 L CA -0.211 54.355 54.840 -0.457 0.000 0.812 639 L CB 0.485 42.288 42.059 -0.425 0.000 1.125 639 L HN 0.201 nan 8.230 nan 0.000 0.452 640 D N -0.047 120.402 120.400 0.082 0.000 2.672 640 D HA 0.046 4.684 4.640 -0.004 0.000 0.287 640 D C 0.758 177.123 176.300 0.109 0.000 1.559 640 D CA -0.338 53.727 54.000 0.109 0.000 0.796 640 D CB 0.230 41.114 40.800 0.140 0.000 1.181 640 D HN 0.384 nan 8.370 nan 0.000 0.458 641 R N -0.029 120.547 120.500 0.126 0.000 2.472 641 R HA 0.488 4.826 4.340 -0.004 0.000 0.279 641 R C 1.087 177.418 176.300 0.052 0.000 0.953 641 R CA 0.402 56.555 56.100 0.087 0.000 1.088 641 R CB 1.038 31.407 30.300 0.114 0.000 1.197 641 R HN 0.178 nan 8.270 nan 0.000 0.536 642 G N 1.206 110.023 108.800 0.027 0.000 2.176 642 G HA2 -0.254 3.703 3.960 -0.004 0.000 0.232 642 G HA3 -0.254 3.703 3.960 -0.004 0.000 0.232 642 G C -0.094 174.808 174.900 0.003 0.000 0.986 642 G CA -0.246 44.859 45.100 0.009 0.000 0.643 642 G HN 0.218 nan 8.290 nan 0.000 0.522 643 K N -0.026 120.377 120.400 0.006 0.000 2.350 643 K HA 0.569 4.886 4.320 -0.004 0.000 0.241 643 K C -0.372 176.206 176.600 -0.037 0.000 0.994 643 K CA -1.102 55.184 56.287 -0.001 0.000 0.839 643 K CB 1.105 33.627 32.500 0.037 0.000 1.244 643 K HN 0.074 nan 8.250 nan 0.000 0.443 644 N N 0.795 119.469 118.700 -0.043 0.000 2.448 644 N HA 0.121 4.858 4.740 -0.004 0.000 0.274 644 N C 0.865 176.331 175.510 -0.073 0.000 1.239 644 N CA -0.529 52.478 53.050 -0.071 0.000 0.982 644 N CB 0.370 38.818 38.487 -0.066 0.000 1.199 644 N HN 0.386 nan 8.380 nan 0.000 0.576 645 L N 1.418 122.586 121.223 -0.091 0.000 2.013 645 L HA -0.218 4.119 4.340 -0.004 0.000 0.212 645 L C 1.771 178.609 176.870 -0.054 0.000 1.073 645 L CA 1.990 56.779 54.840 -0.085 0.000 0.753 645 L CB -0.905 41.098 42.059 -0.093 0.000 0.890 645 L HN 0.677 nan 8.230 nan 0.000 0.432 646 D N -0.911 119.458 120.400 -0.052 0.000 2.133 646 D HA -0.281 4.356 4.640 -0.004 0.000 0.195 646 D C 1.744 178.024 176.300 -0.032 0.000 0.997 646 D CA 2.051 56.026 54.000 -0.042 0.000 0.840 646 D CB -0.607 40.169 40.800 -0.041 0.000 0.947 646 D HN 0.609 nan 8.370 nan 0.000 0.452 647 E N 0.136 120.321 120.200 -0.025 0.000 2.107 647 E HA -0.097 4.251 4.350 -0.004 0.000 0.191 647 E C 2.121 178.723 176.600 0.004 0.000 0.982 647 E CA 0.748 57.141 56.400 -0.011 0.000 0.809 647 E CB 0.065 29.765 29.700 -0.000 0.000 0.756 647 E HN 0.272 nan 8.360 nan 0.000 0.459 648 E N 0.657 120.874 120.200 0.027 0.000 2.152 648 E HA -0.118 4.230 4.350 -0.004 0.000 0.192 648 E C 2.130 178.744 176.600 0.024 0.000 0.983 648 E CA 0.592 57.052 56.400 0.099 0.000 0.818 648 E CB -0.052 29.742 29.700 0.156 0.000 0.758 648 E HN 0.341 nan 8.360 nan 0.000 0.467 649 I N 1.014 121.574 120.570 -0.016 0.000 2.142 649 I HA -0.310 3.857 4.170 -0.004 0.000 0.240 649 I C 2.511 178.578 176.117 -0.084 0.000 1.078 649 I CA 1.311 62.577 61.300 -0.057 0.000 1.343 649 I CB -0.185 37.784 38.000 -0.051 0.000 1.046 649 I HN -0.054 nan 8.210 nan 0.000 0.405 650 K N -0.212 120.148 120.400 -0.066 0.000 2.103 650 K HA -0.192 4.126 4.320 -0.004 0.000 0.207 650 K C 1.521 178.057 176.600 -0.107 0.000 1.048 650 K CA 1.507 57.751 56.287 -0.071 0.000 0.930 650 K CB -0.724 31.748 32.500 -0.048 0.000 0.716 650 K HN 0.424 nan 8.250 nan 0.000 0.444 651 D N -0.992 119.324 120.400 -0.139 0.000 2.371 651 D HA 0.059 4.696 4.640 -0.004 0.000 0.221 651 D C 1.154 177.171 176.300 -0.473 0.000 0.986 651 D CA 1.090 54.925 54.000 -0.276 0.000 0.899 651 D CB -0.037 40.599 40.800 -0.272 0.000 0.902 651 D HN 0.492 nan 8.370 nan 0.000 0.530 652 G N 0.464 109.072 108.800 -0.319 0.000 2.149 652 G HA2 -0.306 3.651 3.960 -0.004 0.000 0.235 652 G HA3 -0.306 3.651 3.960 -0.004 0.000 0.235 652 G C 0.403 175.190 174.900 -0.188 0.000 1.018 652 G CA 0.154 45.096 45.100 -0.263 0.000 0.728 652 G HN 0.525 nan 8.290 nan 0.000 0.508 653 H N -0.955 118.144 119.070 0.049 0.000 2.594 653 H HA 0.385 4.939 4.556 -0.004 0.000 0.279 653 H C 0.758 176.221 175.328 0.224 0.000 1.042 653 H CA -0.588 55.579 56.048 0.198 0.000 1.177 653 H CB 0.778 30.655 29.762 0.192 0.000 1.524 653 H HN 0.316 nan 8.280 nan 0.000 0.537 654 I N 1.385 121.960 120.570 0.009 0.000 2.378 654 I HA 0.214 4.381 4.170 -0.004 0.000 0.291 654 I C -0.764 175.142 176.117 -0.351 0.000 0.992 654 I CA -0.557 60.753 61.300 0.018 0.000 1.154 654 I CB 0.832 38.853 38.000 0.035 0.000 1.315 654 I HN 0.119 nan 8.210 nan 0.000 0.448 655 Y N 5.764 126.177 120.300 0.188 0.000 2.545 655 Y HA 0.677 5.225 4.550 -0.004 0.000 0.348 655 Y C -0.202 175.856 175.900 0.263 0.000 1.002 655 Y CA -0.754 57.435 58.100 0.148 0.000 1.039 655 Y CB 2.974 41.461 38.460 0.045 0.000 1.271 655 Y HN 0.409 nan 8.280 nan 0.000 0.467 656 I N 2.261 123.021 120.570 0.316 0.000 2.827 656 I HA 0.680 4.847 4.170 -0.004 0.000 0.298 656 I C -1.680 174.533 176.117 0.160 0.000 1.235 656 I CA -1.091 60.387 61.300 0.296 0.000 1.021 656 I CB 1.905 40.035 38.000 0.217 0.000 1.259 656 I HN 0.475 nan 8.210 nan 0.000 0.427 657 V N 2.111 122.107 119.914 0.136 0.000 2.680 657 V HA 0.762 4.880 4.120 -0.004 0.000 0.309 657 V C -1.375 174.640 176.094 -0.131 0.000 1.052 657 V CA -0.334 61.925 62.300 -0.068 0.000 0.908 657 V CB 1.749 33.543 31.823 -0.048 0.000 1.001 657 V HN 0.746 nan 8.190 nan 0.000 0.431 658 D N 2.581 122.806 120.400 -0.292 0.000 2.686 658 D HA 0.442 5.079 4.640 -0.004 0.000 0.249 658 D C -0.722 175.416 176.300 -0.271 0.000 1.260 658 D CA -0.529 53.363 54.000 -0.181 0.000 0.910 658 D CB 1.579 42.329 40.800 -0.084 0.000 1.323 658 D HN 0.468 nan 8.370 nan 0.000 0.561 659 F N 2.753 122.700 119.950 -0.005 0.000 2.713 659 F HA 0.143 4.668 4.527 -0.004 0.000 0.294 659 F C 2.112 177.990 175.800 0.130 0.000 1.152 659 F CA -0.292 57.741 58.000 0.055 0.000 1.385 659 F CB 0.309 39.346 39.000 0.062 0.000 0.981 659 F HN 0.411 nan 8.300 nan 0.000 0.514 660 K N -0.813 119.699 120.400 0.187 0.000 2.160 660 K HA -0.181 4.137 4.320 -0.004 0.000 0.206 660 K C 1.924 178.651 176.600 0.211 0.000 1.047 660 K CA 1.589 57.972 56.287 0.161 0.000 0.930 660 K CB -0.897 31.659 32.500 0.093 0.000 0.720 660 K HN 0.285 nan 8.250 nan 0.000 0.450 661 V N 1.489 121.572 119.914 0.282 0.000 2.688 661 V HA -0.150 3.967 4.120 -0.004 0.000 0.256 661 V C 1.788 178.151 176.094 0.448 0.000 1.084 661 V CA 1.425 63.922 62.300 0.328 0.000 1.103 661 V CB -0.293 31.750 31.823 0.367 0.000 0.688 661 V HN 0.411 nan 8.190 nan 0.000 0.480 662 L N -0.398 121.090 121.223 0.440 0.000 2.554 662 L HA 0.101 4.439 4.340 -0.004 0.000 0.226 662 L C 0.835 177.822 176.870 0.195 0.000 1.137 662 L CA -0.157 54.881 54.840 0.330 0.000 0.863 662 L CB 0.032 42.230 42.059 0.231 0.000 0.985 662 L HN 0.095 nan 8.230 nan 0.000 0.451 663 V N 0.882 120.895 119.914 0.164 0.000 2.694 663 V HA 0.117 4.234 4.120 -0.004 0.000 0.306 663 V C 1.404 177.553 176.094 0.092 0.000 1.054 663 V CA 1.178 63.530 62.300 0.086 0.000 1.161 663 V CB 0.468 32.329 31.823 0.063 0.000 0.916 663 V HN 0.622 nan 8.190 nan 0.000 0.490 664 G N 3.427 112.255 108.800 0.048 0.000 2.159 664 G HA2 -0.102 3.856 3.960 -0.004 0.000 0.256 664 G HA3 -0.102 3.856 3.960 -0.004 0.000 0.256 664 G C 0.332 175.286 174.900 0.089 0.000 0.977 664 G CA 0.116 45.251 45.100 0.058 0.000 0.652 664 G HN 1.557 nan 8.290 nan 0.000 0.531 665 A N -0.029 122.851 122.820 0.100 0.000 2.401 665 A HA 0.646 4.963 4.320 -0.004 0.000 0.259 665 A C 0.508 178.159 177.584 0.110 0.000 1.103 665 A CA 0.546 52.652 52.037 0.115 0.000 0.789 665 A CB 0.506 19.544 19.000 0.065 0.000 1.035 665 A HN 0.598 nan 8.150 nan 0.000 0.491 666 K N 2.476 122.940 120.400 0.107 0.000 2.264 666 K HA 0.362 4.679 4.320 -0.004 0.000 0.277 666 K C 0.122 176.776 176.600 0.089 0.000 1.067 666 K CA -0.176 56.169 56.287 0.096 0.000 0.900 666 K CB 0.435 32.978 32.500 0.073 0.000 1.124 666 K HN 0.816 nan 8.250 nan 0.000 0.469 667 S N 2.937 118.687 115.700 0.082 0.000 2.707 667 S HA 0.193 4.661 4.470 -0.004 0.000 0.276 667 S C -0.249 174.370 174.600 0.032 0.000 1.179 667 S CA -0.824 57.410 58.200 0.056 0.000 0.992 667 S CB 0.396 63.613 63.200 0.028 0.000 1.030 667 S HN 0.553 nan 8.310 nan 0.000 0.554 668 Y N 0.812 121.054 120.300 -0.096 0.000 2.610 668 Y HA 0.377 4.925 4.550 -0.004 0.000 0.332 668 Y C 1.578 177.391 175.900 -0.145 0.000 1.201 668 Y CA 1.671 59.710 58.100 -0.102 0.000 1.465 668 Y CB -0.027 38.367 38.460 -0.110 0.000 1.283 668 Y HN 1.187 nan 8.280 nan 0.000 0.563 669 G N 2.289 110.893 108.800 -0.327 0.000 2.217 669 G HA2 -0.149 3.808 3.960 -0.004 0.000 0.246 669 G HA3 -0.149 3.808 3.960 -0.004 0.000 0.246 669 G C 0.910 175.710 174.900 -0.166 0.000 0.990 669 G CA 0.515 45.489 45.100 -0.210 0.000 0.627 669 G HN 2.027 nan 8.290 nan 0.000 0.522 670 G N -1.195 107.517 108.800 -0.147 0.000 2.316 670 G HA2 -0.022 3.936 3.960 -0.004 0.000 0.203 670 G HA3 -0.022 3.936 3.960 -0.004 0.000 0.203 670 G C -1.268 173.618 174.900 -0.024 0.000 0.999 670 G CA 0.353 45.405 45.100 -0.080 0.000 0.649 670 G HN 1.099 nan 8.290 nan 0.000 0.489 671 P HA 0.405 nan 4.420 nan 0.000 0.261 671 P C -0.072 177.369 177.300 0.234 0.000 1.173 671 P CA 0.315 63.458 63.100 0.071 0.000 0.760 671 P CB 1.169 32.711 31.700 -0.264 0.000 0.783 672 V N 4.829 124.917 119.914 0.290 0.000 2.417 672 V HA 0.182 4.299 4.120 -0.004 0.000 0.291 672 V C 0.296 176.443 176.094 0.089 0.000 1.024 672 V CA -0.985 61.426 62.300 0.186 0.000 0.861 672 V CB 1.451 33.333 31.823 0.098 0.000 0.985 672 V HN 0.382 nan 8.190 nan 0.000 0.436 673 L N 5.269 126.465 121.223 -0.044 0.000 2.455 673 L HA 0.308 4.646 4.340 -0.004 0.000 0.272 673 L C 0.295 177.024 176.870 -0.236 0.000 1.174 673 L CA 0.962 55.563 54.840 -0.397 0.000 0.869 673 L CB 0.032 41.982 42.059 -0.183 0.000 1.130 673 L HN 0.736 nan 8.230 nan 0.000 0.474 674 E N 1.810 121.827 120.200 -0.304 0.000 2.299 674 E HA 0.175 4.522 4.350 -0.004 0.000 0.260 674 E C 0.202 176.734 176.600 -0.113 0.000 0.944 674 E CA -0.279 56.037 56.400 -0.141 0.000 0.815 674 E CB 1.223 30.863 29.700 -0.101 0.000 1.252 674 E HN 0.719 nan 8.360 nan 0.000 0.418 675 D N 0.711 121.080 120.400 -0.051 0.000 2.190 675 D HA -0.209 4.428 4.640 -0.004 0.000 0.200 675 D C 1.583 177.861 176.300 -0.036 0.000 0.992 675 D CA 1.422 55.405 54.000 -0.028 0.000 0.854 675 D CB -0.395 40.402 40.800 -0.005 0.000 0.936 675 D HN 0.441 nan 8.370 nan 0.000 0.462 676 I N -4.101 116.442 120.570 -0.045 0.000 3.728 676 I HA 0.511 4.679 4.170 -0.004 0.000 0.307 676 I C 1.415 177.495 176.117 -0.062 0.000 1.276 676 I CA 0.354 61.634 61.300 -0.034 0.000 1.285 676 I CB 0.495 38.489 38.000 -0.011 0.000 1.038 676 I HN 0.247 nan 8.210 nan 0.000 0.445 677 G N 0.363 109.079 108.800 -0.141 0.000 2.964 677 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.229 677 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.229 677 G C -0.705 173.959 174.900 -0.394 0.000 1.395 677 G CA -0.170 44.788 45.100 -0.237 0.000 1.060 677 G HN 0.304 nan 8.290 nan 0.000 0.568 678 Y N 1.824 122.138 120.300 0.024 0.000 2.499 678 Y HA 0.698 5.245 4.550 -0.004 0.000 0.347 678 Y C 0.787 176.719 175.900 0.054 0.000 0.987 678 Y CA 0.030 58.174 58.100 0.073 0.000 1.044 678 Y CB 1.566 40.116 38.460 0.150 0.000 1.245 678 Y HN 0.934 nan 8.280 nan 0.000 0.461 679 K N 0.993 121.525 120.400 0.221 0.000 2.118 679 K HA 0.754 5.072 4.320 -0.004 0.000 0.240 679 K C -0.014 176.667 176.600 0.135 0.000 1.035 679 K CA -0.105 56.265 56.287 0.138 0.000 0.899 679 K CB -0.346 32.217 32.500 0.106 0.000 1.085 679 K HN 1.063 nan 8.250 nan 0.000 0.498 680 V N 2.691 122.662 119.914 0.093 0.000 2.420 680 V HA 0.288 4.406 4.120 -0.004 0.000 0.274 680 V C -1.023 175.122 176.094 0.086 0.000 1.003 680 V CA -1.116 61.231 62.300 0.079 0.000 1.092 680 V CB -1.362 30.497 31.823 0.059 0.000 1.002 680 V HN 0.869 nan 8.190 nan 0.000 0.473 688 E N 0.627 120.841 120.200 0.023 0.000 2.975 688 E HA 0.635 4.983 4.350 -0.004 0.000 0.301 688 E C 0.713 177.315 176.600 0.004 0.000 1.554 688 E CA 0.568 56.978 56.400 0.016 0.000 1.716 688 E CB -1.167 28.538 29.700 0.008 0.000 1.365 688 E HN 1.498 nan 8.360 nan 0.000 0.469 689 A N 0.757 123.584 122.820 0.011 0.000 2.406 689 A HA 0.383 4.700 4.320 -0.004 0.000 0.243 689 A C 0.455 178.044 177.584 0.008 0.000 1.082 689 A CA -0.053 51.991 52.037 0.012 0.000 0.786 689 A CB 0.529 19.536 19.000 0.013 0.000 1.029 689 A HN 0.421 nan 8.150 nan 0.000 0.495 690 D N 1.316 121.738 120.400 0.036 0.000 2.416 690 D HA 0.320 4.957 4.640 -0.004 0.000 0.240 690 D C -0.594 175.764 176.300 0.096 0.000 1.250 690 D CA 0.395 54.421 54.000 0.044 0.000 0.967 690 D CB -0.550 40.288 40.800 0.062 0.000 1.059 690 D HN 0.329 nan 8.370 nan 0.000 0.512 691 I N 3.847 124.410 120.570 -0.012 0.000 2.465 691 I HA 0.415 4.582 4.170 -0.004 0.000 0.291 691 I C 0.495 176.466 176.117 -0.243 0.000 1.014 691 I CA -0.860 60.373 61.300 -0.112 0.000 1.093 691 I CB 1.639 39.561 38.000 -0.129 0.000 1.267 691 I HN 0.036 nan 8.210 nan 0.000 0.431 692 R N 4.840 125.123 120.500 -0.361 0.000 2.854 692 R HA 0.698 5.035 4.340 -0.004 0.000 0.271 692 R C -1.685 174.271 176.300 -0.574 0.000 0.996 692 R CA -0.946 54.968 56.100 -0.310 0.000 0.961 692 R CB 2.314 32.538 30.300 -0.126 0.000 1.182 692 R HN 0.385 nan 8.270 nan 0.000 0.479 693 Y N -0.732 119.553 120.300 -0.025 0.000 2.570 693 Y HA 0.557 5.105 4.550 -0.004 0.000 0.345 693 Y C 0.033 176.073 175.900 0.233 0.000 1.014 693 Y CA -0.623 57.516 58.100 0.065 0.000 1.063 693 Y CB 2.066 40.575 38.460 0.081 0.000 1.272 693 Y HN 0.524 nan 8.280 nan 0.000 0.477 694 C N 0.704 120.363 119.300 0.599 0.000 3.308 694 C HA 0.991 5.449 4.460 -0.004 0.000 0.360 694 C C -0.927 174.407 174.990 0.574 0.000 1.695 694 C CA -0.142 59.153 59.018 0.463 0.000 1.366 694 C CB 1.186 29.059 27.740 0.222 0.000 2.121 694 C HN 1.017 nan 8.230 nan 0.000 0.442 695 A N -0.115 122.911 122.820 0.344 0.000 2.593 695 A HA 0.884 5.201 4.320 -0.004 0.000 0.290 695 A C -1.100 176.562 177.584 0.130 0.000 1.126 695 A CA 0.233 52.403 52.037 0.222 0.000 0.695 695 A CB 0.983 20.156 19.000 0.290 0.000 1.290 695 A HN 2.022 nan 8.150 nan 0.000 0.414 696 A N 1.515 124.393 122.820 0.098 0.000 3.258 696 A HA 0.687 5.004 4.320 -0.004 0.000 0.318 696 A C -2.883 174.784 177.584 0.138 0.000 0.990 696 A CA -1.290 50.837 52.037 0.150 0.000 0.885 696 A CB 0.022 19.096 19.000 0.124 0.000 1.090 696 A HN 0.451 nan 8.150 nan 0.000 0.479 697 P HA 0.516 nan 4.420 nan 0.000 0.276 697 P C -0.658 176.686 177.300 0.074 0.000 1.244 697 P CA -0.200 62.960 63.100 0.100 0.000 0.801 697 P CB 1.243 33.022 31.700 0.131 0.000 1.006 698 L N 0.911 122.003 121.223 -0.218 0.000 2.334 698 L HA 0.804 5.141 4.340 -0.004 0.000 0.273 698 L C 0.256 176.832 176.870 -0.489 0.000 1.013 698 L CA -0.524 54.020 54.840 -0.492 0.000 0.816 698 L CB 1.617 42.999 42.059 -1.129 0.000 1.278 698 L HN 0.420 nan 8.230 nan 0.000 0.431 699 A N 2.231 124.940 122.820 -0.185 0.000 2.486 699 A HA 0.834 5.151 4.320 -0.004 0.000 0.300 699 A C -1.827 175.822 177.584 0.108 0.000 1.048 699 A CA -0.429 51.608 52.037 0.001 0.000 0.696 699 A CB 1.582 20.572 19.000 -0.017 0.000 1.278 699 A HN 0.514 nan 8.150 nan 0.000 0.405 700 L N 1.415 122.678 121.223 0.067 0.000 2.334 700 L HA 0.936 5.274 4.340 -0.004 0.000 0.276 700 L C -1.474 175.248 176.870 -0.247 0.000 1.014 700 L CA -0.327 54.573 54.840 0.101 0.000 0.815 700 L CB 1.205 43.368 42.059 0.173 0.000 1.268 700 L HN 0.628 nan 8.230 nan 0.000 0.428 701 F N 3.414 123.478 119.950 0.191 0.000 2.613 701 F HA 0.518 5.042 4.527 -0.004 0.000 0.314 701 F C -1.246 174.732 175.800 0.298 0.000 1.075 701 F CA -0.622 57.499 58.000 0.202 0.000 0.945 701 F CB 1.789 40.853 39.000 0.107 0.000 1.310 701 F HN 0.359 nan 8.300 nan 0.000 0.467 702 Y N 1.200 121.700 120.300 0.332 0.000 2.386 702 Y HA 0.671 5.219 4.550 -0.004 0.000 0.334 702 Y C -1.635 174.390 175.900 0.208 0.000 1.002 702 Y CA -1.593 56.652 58.100 0.241 0.000 1.068 702 Y CB 1.392 39.938 38.460 0.142 0.000 1.203 702 Y HN 0.353 nan 8.280 nan 0.000 0.443 703 V N 7.713 127.482 119.914 -0.242 0.000 2.387 703 V HA 0.138 4.255 4.120 -0.004 0.000 0.260 703 V C 0.155 175.603 176.094 -1.076 0.000 1.054 703 V CA -0.498 61.531 62.300 -0.452 0.000 0.967 703 V CB -0.597 31.117 31.823 -0.183 0.000 1.036 703 V HN 0.832 nan 8.190 nan 0.000 0.481 704 N N 4.905 123.074 118.700 -0.884 0.000 2.322 704 N HA 0.074 4.811 4.740 -0.004 0.000 0.270 704 N C 1.065 176.299 175.510 -0.460 0.000 1.286 704 N CA -0.508 52.092 53.050 -0.750 0.000 0.948 704 N CB 0.433 38.776 38.487 -0.239 0.000 1.164 704 N HN 0.500 nan 8.380 nan 0.000 0.551 705 K N -0.677 119.567 120.400 -0.259 0.000 2.365 705 K HA 0.055 4.372 4.320 -0.004 0.000 0.199 705 K C 1.064 177.522 176.600 -0.237 0.000 1.045 705 K CA 0.697 56.863 56.287 -0.203 0.000 0.962 705 K CB -0.202 32.243 32.500 -0.091 0.000 0.759 705 K HN 0.582 nan 8.250 nan 0.000 0.469 706 L N -0.197 120.822 121.223 -0.340 0.000 2.558 706 L HA 0.146 4.483 4.340 -0.004 0.000 0.225 706 L C 1.071 177.639 176.870 -0.504 0.000 1.128 706 L CA 0.586 55.151 54.840 -0.457 0.000 0.868 706 L CB 0.215 41.865 42.059 -0.683 0.000 1.006 706 L HN 0.585 nan 8.230 nan 0.000 0.454 707 G N -0.524 108.032 108.800 -0.407 0.000 2.159 707 G HA2 -0.240 3.717 3.960 -0.004 0.000 0.227 707 G HA3 -0.240 3.717 3.960 -0.004 0.000 0.227 707 G C 0.035 174.855 174.900 -0.132 0.000 0.986 707 G CA -0.346 44.611 45.100 -0.238 0.000 0.651 707 G HN 0.528 nan 8.290 nan 0.000 0.523 708 H N -0.658 118.314 119.070 -0.163 0.000 2.646 708 H HA 0.477 5.031 4.556 -0.004 0.000 0.325 708 H C 0.201 175.439 175.328 -0.149 0.000 1.075 708 H CA -0.950 55.004 56.048 -0.157 0.000 1.421 708 H CB 1.769 31.425 29.762 -0.176 0.000 1.461 708 H HN 0.156 nan 8.280 nan 0.000 0.525 709 L N 4.385 125.615 121.223 0.013 0.000 2.385 709 L HA 0.101 4.438 4.340 -0.004 0.000 0.281 709 L C -0.755 176.223 176.870 0.180 0.000 1.106 709 L CA 0.111 54.966 54.840 0.025 0.000 0.856 709 L CB 0.065 42.069 42.059 -0.093 0.000 1.186 709 L HN 0.590 nan 8.230 nan 0.000 0.453 710 M N 7.949 127.695 119.600 0.243 0.000 2.238 710 M HA 0.431 4.908 4.480 -0.004 0.000 0.350 710 M C -2.368 174.173 176.300 0.402 0.000 1.138 710 M CA -2.541 52.944 55.300 0.308 0.000 1.040 710 M CB 1.254 34.008 32.600 0.258 0.000 1.639 710 M HN 0.325 nan 8.290 nan 0.000 0.451 711 P HA 0.203 nan 4.420 nan 0.000 0.276 711 P C 0.239 177.618 177.300 0.131 0.000 1.253 711 P CA 0.035 63.206 63.100 0.117 0.000 0.766 711 P CB 0.320 32.260 31.700 0.401 0.000 0.845 712 I N 0.422 120.989 120.570 -0.006 0.000 4.288 712 I HA 0.628 4.795 4.170 -0.004 0.000 0.331 712 I C 0.228 176.308 176.117 -0.062 0.000 1.322 712 I CA -0.419 60.858 61.300 -0.038 0.000 1.149 712 I CB 0.648 38.656 38.000 0.013 0.000 1.112 712 I HN 0.203 nan 8.210 nan 0.000 0.403 713 A N 1.548 124.412 122.820 0.073 0.000 2.565 713 A HA 0.772 5.090 4.320 -0.004 0.000 0.298 713 A C -1.420 176.393 177.584 0.382 0.000 1.062 713 A CA -0.319 51.831 52.037 0.187 0.000 0.723 713 A CB 1.065 20.074 19.000 0.015 0.000 1.282 713 A HN 0.223 nan 8.150 nan 0.000 0.400 714 I N 1.397 122.262 120.570 0.493 0.000 2.533 714 I HA 0.452 4.620 4.170 -0.004 0.000 0.290 714 I C -0.330 176.071 176.117 0.473 0.000 1.056 714 I CA -0.360 61.182 61.300 0.403 0.000 1.057 714 I CB 2.313 40.494 38.000 0.300 0.000 1.240 714 I HN 0.805 nan 8.210 nan 0.000 0.423 715 Q N 5.766 125.725 119.800 0.265 0.000 2.333 715 Q HA 0.465 4.803 4.340 -0.004 0.000 0.268 715 Q C 0.109 176.181 176.000 0.121 0.000 1.007 715 Q CA -0.511 55.439 55.803 0.245 0.000 0.810 715 Q CB 1.906 30.754 28.738 0.183 0.000 1.264 715 Q HN 0.733 nan 8.270 nan 0.000 0.452 716 I N 2.245 122.927 120.570 0.186 0.000 2.394 716 I HA -0.125 4.042 4.170 -0.004 0.000 0.251 716 I C 0.807 176.927 176.117 0.006 0.000 1.136 716 I CA 0.757 62.092 61.300 0.059 0.000 1.425 716 I CB -0.022 37.922 38.000 -0.092 0.000 1.079 716 I HN 0.560 nan 8.210 nan 0.000 0.425 717 N N -0.732 117.971 118.700 0.005 0.000 2.701 717 N HA 0.202 4.940 4.740 -0.004 0.000 0.290 717 N C 0.386 175.894 175.510 -0.003 0.000 1.338 717 N CA -0.526 52.516 53.050 -0.013 0.000 0.799 717 N CB 1.272 39.727 38.487 -0.053 0.000 1.491 717 N HN -0.082 nan 8.380 nan 0.000 0.540 718 Q N 0.396 120.195 119.800 -0.002 0.000 2.172 718 Q HA -0.083 4.255 4.340 -0.004 0.000 0.200 718 Q C -0.126 175.887 176.000 0.022 0.000 0.964 718 Q CA 1.190 56.998 55.803 0.008 0.000 0.855 718 Q CB -0.032 28.716 28.738 0.017 0.000 0.918 718 Q HN 0.525 nan 8.270 nan 0.000 0.444 719 E N 2.196 122.407 120.200 0.018 0.000 2.035 719 E HA 0.175 4.522 4.350 -0.004 0.000 0.271 719 E C -2.407 174.211 176.600 0.031 0.000 0.953 719 E CA -2.640 53.775 56.400 0.024 0.000 0.777 719 E CB 0.996 30.703 29.700 0.013 0.000 1.104 719 E HN -0.074 nan 8.360 nan 0.000 0.408 720 P HA 0.294 nan 4.420 nan 0.000 0.268 720 P C 0.009 177.322 177.300 0.023 0.000 1.208 720 P CA 0.081 63.209 63.100 0.047 0.000 0.777 720 P CB 1.179 32.917 31.700 0.064 0.000 0.875 721 G N 1.185 109.989 108.800 0.007 0.000 2.321 721 G HA2 0.207 4.165 3.960 -0.004 0.000 0.298 721 G HA3 0.207 4.165 3.960 -0.004 0.000 0.298 721 G C -2.805 172.081 174.900 -0.024 0.000 1.385 721 G CA -0.761 44.337 45.100 -0.004 0.000 0.856 721 G HN 0.094 nan 8.290 nan 0.000 0.584 722 P HA 0.016 nan 4.420 nan 0.000 0.219 722 P C 1.145 178.427 177.300 -0.030 0.000 1.146 722 P CA 1.270 64.347 63.100 -0.039 0.000 0.808 722 P CB 0.236 31.923 31.700 -0.021 0.000 0.779 723 E N -1.837 118.361 120.200 -0.004 0.000 2.489 723 E HA 0.024 4.372 4.350 -0.004 0.000 0.193 723 E C 0.389 177.012 176.600 0.039 0.000 1.057 723 E CA 0.139 56.552 56.400 0.022 0.000 0.866 723 E CB -0.207 29.508 29.700 0.025 0.000 0.916 723 E HN 0.110 nan 8.360 nan 0.000 0.500 724 N N 0.920 119.631 118.700 0.019 0.000 2.697 724 N HA 0.105 4.842 4.740 -0.004 0.000 0.253 724 N C -2.820 172.689 175.510 -0.000 0.000 1.604 724 N CA -1.663 51.417 53.050 0.050 0.000 0.772 724 N CB 0.842 39.351 38.487 0.037 0.000 1.267 724 N HN -0.116 nan 8.380 nan 0.000 0.510 725 P HA 0.366 nan 4.420 nan 0.000 0.306 725 P C -0.321 176.746 177.300 -0.387 0.000 1.309 725 P CA -0.500 62.412 63.100 -0.314 0.000 0.759 725 P CB 1.690 33.066 31.700 -0.541 0.000 1.314 726 I N -0.146 120.167 120.570 -0.428 0.000 2.304 726 I HA 0.209 4.377 4.170 -0.004 0.000 0.291 726 I C -0.260 175.615 176.117 -0.405 0.000 1.018 726 I CA -0.427 60.684 61.300 -0.316 0.000 1.260 726 I CB 0.309 38.011 38.000 -0.496 0.000 1.390 726 I HN 0.232 nan 8.210 nan 0.000 0.475 727 W N 5.394 126.753 121.300 0.098 0.000 2.438 727 W HA 0.602 5.260 4.660 -0.004 0.000 0.324 727 W C 0.433 177.046 176.519 0.157 0.000 1.119 727 W CA -0.444 57.006 57.345 0.176 0.000 1.221 727 W CB 1.325 30.967 29.460 0.303 0.000 1.253 727 W HN 0.387 nan 8.180 nan 0.000 0.555 728 T N -1.417 113.208 114.554 0.119 0.000 2.887 728 T HA 0.424 4.771 4.350 -0.004 0.000 0.292 728 T C -2.236 171.687 174.700 -1.294 0.000 1.087 728 T CA -2.290 59.527 62.100 -0.472 0.000 1.009 728 T CB 2.197 70.931 68.868 -0.223 0.000 1.203 728 T HN 0.096 nan 8.240 nan 0.000 0.518 729 P HA 0.037 nan 4.420 nan 0.000 0.234 729 P C 0.349 176.931 177.300 -1.197 0.000 1.167 729 P CA 0.931 62.733 63.100 -2.164 0.000 0.763 729 P CB -0.455 30.344 31.700 -1.502 0.000 0.835 730 H N -1.400 117.404 119.070 -0.443 0.000 2.519 730 H HA 0.156 4.709 4.556 -0.004 0.000 0.289 730 H C 0.510 175.776 175.328 -0.104 0.000 1.040 730 H CA -0.410 55.511 56.048 -0.212 0.000 1.165 730 H CB -0.354 29.310 29.762 -0.164 0.000 1.462 730 H HN 0.002 nan 8.280 nan 0.000 0.555 731 E N 1.794 121.976 120.200 -0.029 0.000 2.568 731 E HA -0.112 4.236 4.350 -0.004 0.000 0.262 731 E C 0.968 177.617 176.600 0.081 0.000 0.961 731 E CA 0.209 56.667 56.400 0.095 0.000 0.945 731 E CB 0.737 30.567 29.700 0.216 0.000 0.924 731 E HN 0.491 nan 8.360 nan 0.000 0.467 732 E N 1.560 121.813 120.200 0.089 0.000 2.110 732 E HA -0.154 4.194 4.350 -0.004 0.000 0.193 732 E C 0.637 177.282 176.600 0.075 0.000 0.988 732 E CA 0.795 57.236 56.400 0.069 0.000 0.804 732 E CB -0.004 29.733 29.700 0.061 0.000 0.745 732 E HN 0.305 nan 8.360 nan 0.000 0.458 733 N N 1.704 120.473 118.700 0.115 0.000 2.500 733 N HA -0.041 4.697 4.740 -0.004 0.000 0.236 733 N C 0.848 176.415 175.510 0.096 0.000 1.022 733 N CA -0.002 53.117 53.050 0.116 0.000 0.935 733 N CB 0.735 39.330 38.487 0.179 0.000 1.147 733 N HN 0.086 nan 8.380 nan 0.000 0.512 734 E N 3.075 123.261 120.200 -0.023 0.000 2.171 734 E HA -0.283 4.064 4.350 -0.004 0.000 0.197 734 E C 0.224 176.812 176.600 -0.020 0.000 0.997 734 E CA 1.285 57.657 56.400 -0.046 0.000 0.810 734 E CB -0.327 29.285 29.700 -0.146 0.000 0.738 734 E HN 0.625 nan 8.360 nan 0.000 0.467 735 H N 0.861 120.023 119.070 0.153 0.000 2.457 735 H HA -0.052 4.501 4.556 -0.004 0.000 0.294 735 H C 1.323 176.714 175.328 0.104 0.000 1.064 735 H CA 1.407 57.542 56.048 0.144 0.000 1.330 735 H CB -0.067 29.780 29.762 0.142 0.000 1.395 735 H HN 0.329 nan 8.280 nan 0.000 0.541 736 D N 0.118 120.649 120.400 0.218 0.000 2.149 736 D HA -0.150 4.488 4.640 -0.004 0.000 0.201 736 D C 2.130 178.451 176.300 0.035 0.000 0.972 736 D CA 0.401 54.462 54.000 0.102 0.000 0.835 736 D CB -0.366 40.633 40.800 0.332 0.000 0.966 736 D HN 0.501 nan 8.370 nan 0.000 0.476 737 W N 0.686 121.965 121.300 -0.036 0.000 2.407 737 W HA -0.187 4.470 4.660 -0.004 0.000 0.305 737 W C 1.994 178.376 176.519 -0.229 0.000 1.196 737 W CA 0.428 57.714 57.345 -0.098 0.000 1.311 737 W CB -0.205 29.203 29.460 -0.087 0.000 1.135 737 W HN -0.090 nan 8.180 nan 0.000 0.514 738 M N 1.373 120.805 119.600 -0.281 0.000 2.110 738 M HA -0.319 4.158 4.480 -0.004 0.000 0.257 738 M C 2.373 178.280 176.300 -0.655 0.000 1.071 738 M CA 2.596 57.563 55.300 -0.555 0.000 1.096 738 M CB -1.163 31.331 32.600 -0.177 0.000 1.300 738 M HN 0.086 nan 8.290 nan 0.000 0.411 739 M N -0.173 119.295 119.600 -0.219 0.000 2.149 739 M HA -0.080 4.397 4.480 -0.004 0.000 0.261 739 M C 1.977 178.224 176.300 -0.088 0.000 1.064 739 M CA 2.153 57.441 55.300 -0.022 0.000 1.102 739 M CB -0.836 31.809 32.600 0.075 0.000 1.369 739 M HN 0.354 nan 8.290 nan 0.000 0.408 740 A N -0.213 122.404 122.820 -0.338 0.000 1.902 740 A HA -0.201 4.116 4.320 -0.004 0.000 0.217 740 A C 2.195 179.588 177.584 -0.319 0.000 1.181 740 A CA 1.940 53.767 52.037 -0.351 0.000 0.623 740 A CB -0.664 18.067 19.000 -0.448 0.000 0.818 740 A HN 0.591 nan 8.150 nan 0.000 0.443 741 K N -1.205 118.775 120.400 -0.701 0.000 2.097 741 K HA -0.067 4.250 4.320 -0.004 0.000 0.205 741 K C 1.712 178.168 176.600 -0.240 0.000 1.050 741 K CA 1.457 57.296 56.287 -0.748 0.000 0.938 741 K CB -0.359 31.259 32.500 -1.470 0.000 0.718 741 K HN 0.617 nan 8.250 nan 0.000 0.442 742 F N -0.631 119.208 119.950 -0.185 0.000 2.134 742 F HA -0.209 4.316 4.527 -0.005 0.000 0.299 742 F C 2.095 177.781 175.800 -0.191 0.000 1.097 742 F CA 0.579 58.469 58.000 -0.183 0.000 1.264 742 F CB -0.326 38.503 39.000 -0.285 0.000 1.001 742 F HN 0.124 nan 8.300 nan 0.000 0.479 743 W N -0.052 121.295 121.300 0.079 0.000 2.363 743 W HA -0.172 4.485 4.660 -0.004 0.000 0.296 743 W C 2.289 178.817 176.519 0.016 0.000 1.212 743 W CA 0.468 57.832 57.345 0.032 0.000 1.260 743 W CB -0.600 28.849 29.460 -0.019 0.000 1.131 743 W HN -0.011 nan 8.180 nan 0.000 0.530 744 L N 0.657 122.028 121.223 0.247 0.000 2.093 744 L HA 0.047 4.385 4.340 -0.004 0.000 0.208 744 L C 2.296 179.245 176.870 0.133 0.000 1.085 744 L CA 2.487 57.446 54.840 0.197 0.000 0.755 744 L CB -1.327 40.933 42.059 0.335 0.000 0.904 744 L HN -0.006 nan 8.230 nan 0.000 0.435 745 G N -1.200 107.729 108.800 0.216 0.000 2.422 745 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.218 745 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.218 745 G C 1.644 176.578 174.900 0.057 0.000 1.146 745 G CA 0.935 46.130 45.100 0.158 0.000 0.769 745 G HN 0.330 nan 8.290 nan 0.000 0.547 746 V N 1.203 121.128 119.914 0.019 0.000 2.358 746 V HA 0.014 4.131 4.120 -0.004 0.000 0.246 746 V C 3.224 179.301 176.094 -0.028 0.000 1.047 746 V CA 2.266 64.557 62.300 -0.016 0.000 1.035 746 V CB -0.594 31.185 31.823 -0.074 0.000 0.658 746 V HN 0.446 nan 8.190 nan 0.000 0.452 747 A N -0.624 122.140 122.820 -0.094 0.000 1.884 747 A HA -0.347 3.970 4.320 -0.004 0.000 0.219 747 A C 2.267 179.605 177.584 -0.410 0.000 1.197 747 A CA 2.477 54.327 52.037 -0.312 0.000 0.637 747 A CB -0.802 17.835 19.000 -0.604 0.000 0.827 747 A HN 0.702 nan 8.150 nan 0.000 0.450 748 E N -0.476 119.452 120.200 -0.452 0.000 2.077 748 E HA -0.138 4.209 4.350 -0.004 0.000 0.193 748 E C 2.244 178.988 176.600 0.239 0.000 0.989 748 E CA 1.286 57.626 56.400 -0.101 0.000 0.800 748 E CB -0.084 29.619 29.700 0.005 0.000 0.746 748 E HN 0.576 nan 8.360 nan 0.000 0.452 749 S N 0.754 116.576 115.700 0.203 0.000 2.356 749 S HA -0.135 4.332 4.470 -0.004 0.000 0.223 749 S C 1.686 176.444 174.600 0.263 0.000 1.032 749 S CA 1.512 59.915 58.200 0.338 0.000 1.005 749 S CB -0.314 63.043 63.200 0.262 0.000 0.867 749 S HN 0.309 nan 8.310 nan 0.000 0.449 750 N N 0.526 119.306 118.700 0.133 0.000 2.171 750 N HA 0.062 4.799 4.740 -0.004 0.000 0.184 750 N C 1.430 177.019 175.510 0.132 0.000 1.021 750 N CA 0.793 53.871 53.050 0.047 0.000 0.854 750 N CB -0.309 38.123 38.487 -0.092 0.000 0.994 750 N HN 0.348 nan 8.380 nan 0.000 0.426 751 F N 1.414 121.431 119.950 0.112 0.000 2.069 751 F HA -0.290 4.234 4.527 -0.005 0.000 0.298 751 F C 2.657 178.671 175.800 0.357 0.000 1.113 751 F CA 1.749 59.974 58.000 0.375 0.000 1.214 751 F CB -0.345 38.994 39.000 0.566 0.000 0.978 751 F HN 0.256 nan 8.300 nan 0.000 0.474 752 H N 0.275 119.672 119.070 0.544 0.000 2.290 752 H HA -0.187 4.367 4.556 -0.004 0.000 0.298 752 H C 2.038 177.505 175.328 0.233 0.000 1.087 752 H CA 2.289 58.548 56.048 0.353 0.000 1.291 752 H CB -0.475 29.422 29.762 0.224 0.000 1.369 752 H HN 0.438 nan 8.280 nan 0.000 0.492 753 Q N 0.133 119.895 119.800 -0.063 0.000 2.050 753 Q HA -0.108 4.229 4.340 -0.004 0.000 0.202 753 Q C 2.834 178.812 176.000 -0.036 0.000 0.980 753 Q CA 1.689 57.433 55.803 -0.099 0.000 0.840 753 Q CB 0.157 28.912 28.738 0.028 0.000 0.898 753 Q HN 0.475 nan 8.270 nan 0.000 0.424 754 L N -0.123 121.137 121.223 0.062 0.000 2.102 754 L HA -0.064 4.274 4.340 -0.004 0.000 0.202 754 L C 2.201 179.084 176.870 0.021 0.000 1.076 754 L CA 0.824 55.732 54.840 0.114 0.000 0.761 754 L CB -0.309 41.954 42.059 0.340 0.000 0.921 754 L HN 0.218 nan 8.230 nan 0.000 0.444 755 N N -0.524 118.158 118.700 -0.029 0.000 2.322 755 N HA -0.099 4.638 4.740 -0.004 0.000 0.186 755 N C 1.753 177.163 175.510 -0.167 0.000 1.037 755 N CA 1.794 54.700 53.050 -0.240 0.000 0.869 755 N CB -0.137 37.992 38.487 -0.597 0.000 1.036 755 N HN -0.020 nan 8.380 nan 0.000 0.439 756 T N -0.510 113.966 114.554 -0.128 0.000 2.737 756 T HA -0.114 4.233 4.350 -0.004 0.000 0.265 756 T C 1.578 176.315 174.700 0.062 0.000 1.038 756 T CA 1.385 63.492 62.100 0.013 0.000 1.144 756 T CB -0.410 68.568 68.868 0.183 0.000 0.866 756 T HN 0.427 nan 8.240 nan 0.000 0.434 757 H N -0.460 118.526 119.070 -0.140 0.000 2.297 757 H HA 0.144 4.697 4.556 -0.004 0.000 0.317 757 H C 2.276 177.667 175.328 0.105 0.000 1.062 757 H CA 0.368 56.388 56.048 -0.047 0.000 1.431 757 H CB -0.142 29.496 29.762 -0.207 0.000 1.452 757 H HN 0.083 nan 8.280 nan 0.000 0.565 758 L N 0.775 121.899 121.223 -0.166 0.000 1.976 758 L HA -0.162 4.176 4.340 -0.004 0.000 0.209 758 L C 2.681 179.519 176.870 -0.054 0.000 1.071 758 L CA 1.302 56.008 54.840 -0.222 0.000 0.746 758 L CB -0.741 41.198 42.059 -0.199 0.000 0.890 758 L HN 0.357 nan 8.230 nan 0.000 0.432 759 L N -0.716 120.473 121.223 -0.058 0.000 2.023 759 L HA -0.125 4.212 4.340 -0.004 0.000 0.205 759 L C 2.470 179.341 176.870 0.002 0.000 1.073 759 L CA 1.645 56.446 54.840 -0.065 0.000 0.745 759 L CB -0.414 41.578 42.059 -0.113 0.000 0.900 759 L HN 0.137 nan 8.230 nan 0.000 0.435 760 R N -1.173 119.343 120.500 0.026 0.000 2.299 760 R HA 0.030 4.368 4.340 -0.004 0.000 0.197 760 R C 1.471 177.897 176.300 0.210 0.000 0.971 760 R CA 0.999 57.150 56.100 0.085 0.000 1.030 760 R CB -0.289 29.981 30.300 -0.050 0.000 0.932 760 R HN 0.656 nan 8.270 nan 0.000 0.477 761 T N -3.044 111.629 114.554 0.197 0.000 3.556 761 T HA 0.056 4.404 4.350 -0.004 0.000 0.204 761 T C 1.602 176.384 174.700 0.136 0.000 0.896 761 T CA -0.216 62.009 62.100 0.208 0.000 1.380 761 T CB -0.442 68.596 68.868 0.283 0.000 1.584 761 T HN 0.012 nan 8.240 nan 0.000 0.411 762 H N 1.838 120.959 119.070 0.084 0.000 2.306 762 H HA -0.094 4.460 4.556 -0.004 0.000 0.289 762 H C 2.335 177.702 175.328 0.064 0.000 1.081 762 H CA 2.470 58.536 56.048 0.030 0.000 1.163 762 H CB -0.614 29.095 29.762 -0.089 0.000 1.357 762 H HN 0.285 nan 8.280 nan 0.000 0.524 763 L N 0.305 121.613 121.223 0.141 0.000 2.131 763 L HA -0.097 4.240 4.340 -0.004 0.000 0.206 763 L C 2.942 179.850 176.870 0.063 0.000 1.087 763 L CA 1.466 56.336 54.840 0.049 0.000 0.767 763 L CB -0.607 41.408 42.059 -0.073 0.000 0.917 763 L HN 0.426 nan 8.230 nan 0.000 0.441 764 T N -3.487 111.108 114.554 0.067 0.000 2.770 764 T HA -0.166 4.182 4.350 -0.004 0.000 0.263 764 T C 1.928 176.982 174.700 0.589 0.000 1.039 764 T CA 1.536 63.727 62.100 0.151 0.000 1.142 764 T CB -0.943 67.861 68.868 -0.105 0.000 0.868 764 T HN 0.421 nan 8.240 nan 0.000 0.435 765 T N 0.250 115.041 114.554 0.395 0.000 2.915 765 T HA -0.061 4.287 4.350 -0.004 0.000 0.269 765 T C 1.852 176.827 174.700 0.457 0.000 1.071 765 T CA 1.367 63.634 62.100 0.280 0.000 1.132 765 T CB -0.593 68.100 68.868 -0.292 0.000 0.878 765 T HN 0.622 nan 8.240 nan 0.000 0.479 766 E N 1.277 121.715 120.200 0.396 0.000 2.130 766 E HA -0.196 4.151 4.350 -0.004 0.000 0.196 766 E C 2.173 178.975 176.600 0.336 0.000 0.998 766 E CA 1.540 58.148 56.400 0.346 0.000 0.806 766 E CB -0.345 29.485 29.700 0.216 0.000 0.738 766 E HN 0.624 nan 8.360 nan 0.000 0.459 767 S N -0.118 115.820 115.700 0.396 0.000 2.370 767 S HA -0.143 4.324 4.470 -0.004 0.000 0.226 767 S C 1.558 176.285 174.600 0.211 0.000 1.033 767 S CA 1.318 59.759 58.200 0.401 0.000 1.011 767 S CB -0.408 63.046 63.200 0.424 0.000 0.852 767 S HN 0.305 nan 8.310 nan 0.000 0.457 768 F N 1.880 121.923 119.950 0.155 0.000 2.186 768 F HA -0.012 4.512 4.527 -0.004 0.000 0.299 768 F C 2.573 178.545 175.800 0.287 0.000 1.090 768 F CA 0.677 58.722 58.000 0.077 0.000 1.307 768 F CB -0.736 38.303 39.000 0.067 0.000 1.019 768 F HN 0.165 nan 8.300 nan 0.000 0.489 769 A N 0.151 123.324 122.820 0.587 0.000 1.865 769 A HA -0.223 4.094 4.320 -0.004 0.000 0.217 769 A C 2.116 179.892 177.584 0.320 0.000 1.191 769 A CA 1.856 54.155 52.037 0.437 0.000 0.623 769 A CB -1.183 18.041 19.000 0.374 0.000 0.826 769 A HN 0.352 nan 8.150 nan 0.000 0.444 770 L N -0.230 121.096 121.223 0.173 0.000 2.012 770 L HA -0.118 4.220 4.340 -0.004 0.000 0.210 770 L C 2.592 179.416 176.870 -0.076 0.000 1.073 770 L CA 2.640 57.457 54.840 -0.037 0.000 0.748 770 L CB -0.746 41.074 42.059 -0.398 0.000 0.891 770 L HN 0.340 nan 8.230 nan 0.000 0.431 771 S N -1.796 113.878 115.700 -0.043 0.000 2.399 771 S HA -0.180 4.288 4.470 -0.004 0.000 0.231 771 S C 1.836 176.604 174.600 0.280 0.000 1.022 771 S CA 1.670 59.888 58.200 0.030 0.000 0.983 771 S CB -0.403 62.694 63.200 -0.171 0.000 0.803 771 S HN 0.692 nan 8.310 nan 0.000 0.480 772 T N 0.205 114.994 114.554 0.393 0.000 2.777 772 T HA -0.083 4.265 4.350 -0.004 0.000 0.266 772 T C 1.202 175.926 174.700 0.039 0.000 1.040 772 T CA 1.381 63.691 62.100 0.350 0.000 1.141 772 T CB -0.430 68.506 68.868 0.113 0.000 0.868 772 T HN 0.613 nan 8.240 nan 0.000 0.444 773 W N 1.714 122.993 121.300 -0.035 0.000 2.358 773 W HA -0.010 4.647 4.660 -0.005 0.000 0.303 773 W C 2.730 179.105 176.519 -0.239 0.000 1.208 773 W CA 0.600 57.745 57.345 -0.332 0.000 1.274 773 W CB -0.213 28.568 29.460 -1.131 0.000 1.138 773 W HN 0.100 nan 8.180 nan 0.000 0.515 774 R N -0.307 120.233 120.500 0.067 0.000 2.081 774 R HA -0.128 4.209 4.340 -0.004 0.000 0.235 774 R C 1.495 177.870 176.300 0.126 0.000 1.131 774 R CA 1.515 57.677 56.100 0.102 0.000 0.960 774 R CB -0.417 29.914 30.300 0.053 0.000 0.856 774 R HN 0.263 nan 8.270 nan 0.000 0.436 775 N N -0.737 118.057 118.700 0.156 0.000 2.257 775 N HA 0.118 4.855 4.740 -0.004 0.000 0.200 775 N C -0.202 175.358 175.510 0.083 0.000 1.163 775 N CA 0.171 53.322 53.050 0.169 0.000 0.891 775 N CB 1.081 39.734 38.487 0.277 0.000 1.067 775 N HN 0.045 nan 8.380 nan 0.000 0.497 776 L N 1.591 122.824 121.223 0.016 0.000 2.287 776 L HA 0.541 4.878 4.340 -0.004 0.000 0.287 776 L C 0.244 177.004 176.870 -0.183 0.000 1.022 776 L CA -0.743 54.016 54.840 -0.135 0.000 0.814 776 L CB 1.631 43.547 42.059 -0.237 0.000 1.217 776 L HN -0.084 nan 8.230 nan 0.000 0.420 777 A N 1.957 124.683 122.820 -0.157 0.000 2.425 777 A HA 0.235 4.552 4.320 -0.004 0.000 0.242 777 A C 1.322 178.591 177.584 -0.525 0.000 1.077 777 A CA 0.227 52.119 52.037 -0.242 0.000 0.781 777 A CB 0.519 19.478 19.000 -0.069 0.000 1.020 777 A HN 0.914 nan 8.150 nan 0.000 0.494 778 S N 1.354 116.601 115.700 -0.756 0.000 2.419 778 S HA -0.098 4.370 4.470 -0.004 0.000 0.235 778 S C 1.551 175.944 174.600 -0.344 0.000 1.019 778 S CA 1.344 58.966 58.200 -0.964 0.000 0.982 778 S CB -0.440 62.352 63.200 -0.680 0.000 0.789 778 S HN 1.385 nan 8.310 nan 0.000 0.490 779 A N 0.425 123.157 122.820 -0.145 0.000 2.208 779 A HA 0.211 4.528 4.320 -0.004 0.000 0.209 779 A C 0.822 178.311 177.584 -0.158 0.000 1.161 779 A CA 0.015 52.014 52.037 -0.064 0.000 0.782 779 A CB -0.791 18.248 19.000 0.065 0.000 0.816 779 A HN 0.726 nan 8.150 nan 0.000 0.477 780 H N 0.776 119.705 119.070 -0.235 0.000 2.848 780 H HA 0.182 4.736 4.556 -0.004 0.000 0.317 780 H C -1.307 173.804 175.328 -0.362 0.000 1.046 780 H CA -1.242 54.646 56.048 -0.267 0.000 1.470 780 H CB 1.206 30.855 29.762 -0.189 0.000 1.483 780 H HN 0.045 nan 8.280 nan 0.000 0.548 781 P HA -0.229 nan 4.420 nan 0.000 0.217 781 P C 1.111 178.255 177.300 -0.260 0.000 1.148 781 P CA 1.156 63.849 63.100 -0.680 0.000 0.828 781 P CB 0.362 31.235 31.700 -1.378 0.000 0.783 782 I N -1.851 118.769 120.570 0.083 0.000 2.716 782 I HA -0.082 4.085 4.170 -0.004 0.000 0.259 782 I C 2.349 178.318 176.117 -0.246 0.000 1.172 782 I CA 0.344 61.606 61.300 -0.063 0.000 1.478 782 I CB -1.694 36.231 38.000 -0.125 0.000 1.104 782 I HN -0.138 nan 8.210 nan 0.000 0.439 783 F N 2.523 122.274 119.950 -0.331 0.000 2.126 783 F HA -0.229 4.295 4.527 -0.004 0.000 0.299 783 F C 2.420 177.953 175.800 -0.446 0.000 1.096 783 F CA 1.865 59.612 58.000 -0.421 0.000 1.255 783 F CB -0.093 38.672 39.000 -0.391 0.000 0.997 783 F HN -0.065 nan 8.300 nan 0.000 0.479 784 K N -0.146 119.975 120.400 -0.466 0.000 2.103 784 K HA -0.135 4.183 4.320 -0.004 0.000 0.204 784 K C 1.959 178.163 176.600 -0.660 0.000 1.052 784 K CA 1.371 57.172 56.287 -0.809 0.000 0.945 784 K CB -0.473 31.139 32.500 -1.481 0.000 0.722 784 K HN 0.295 nan 8.250 nan 0.000 0.443 785 L N 1.181 122.238 121.223 -0.276 0.000 2.046 785 L HA -0.138 4.199 4.340 -0.004 0.000 0.208 785 L C 1.788 178.634 176.870 -0.040 0.000 1.077 785 L CA 1.585 56.489 54.840 0.106 0.000 0.747 785 L CB -0.099 42.051 42.059 0.152 0.000 0.896 785 L HN 0.108 nan 8.230 nan 0.000 0.432 786 L N -1.254 119.838 121.223 -0.218 0.000 2.341 786 L HA -0.069 4.268 4.340 -0.004 0.000 0.214 786 L C 2.516 179.215 176.870 -0.286 0.000 1.115 786 L CA 0.617 55.362 54.840 -0.158 0.000 0.820 786 L CB -0.416 41.516 42.059 -0.212 0.000 0.944 786 L HN 0.427 nan 8.230 nan 0.000 0.452 787 Q N 0.845 120.323 119.800 -0.537 0.000 2.077 787 Q HA -0.206 4.131 4.340 -0.004 0.000 0.206 787 Q C -0.626 175.214 176.000 -0.267 0.000 0.989 787 Q CA 2.130 57.614 55.803 -0.531 0.000 0.853 787 Q CB -0.624 27.724 28.738 -0.649 0.000 0.907 787 Q HN 0.331 nan 8.270 nan 0.000 0.418 788 P HA -0.141 nan 4.420 nan 0.000 0.223 788 P C 0.403 177.533 177.300 -0.283 0.000 1.151 788 P CA 1.329 64.270 63.100 -0.264 0.000 0.787 788 P CB -0.047 31.470 31.700 -0.304 0.000 0.788 789 H N -0.498 118.545 119.070 -0.045 0.000 2.553 789 H HA 0.168 4.722 4.556 -0.004 0.000 0.276 789 H C 2.032 176.991 175.328 -0.615 0.000 0.979 789 H CA 0.658 56.628 56.048 -0.131 0.000 1.268 789 H CB 0.069 29.847 29.762 0.027 0.000 1.450 789 H HN 0.254 nan 8.280 nan 0.000 0.527 790 I N -1.962 118.328 120.570 -0.466 0.000 3.226 790 I HA -0.008 4.159 4.170 -0.004 0.000 0.277 790 I C 0.894 176.895 176.117 -0.195 0.000 1.243 790 I CA -0.108 60.830 61.300 -0.603 0.000 1.459 790 I CB -0.452 37.409 38.000 -0.231 0.000 1.093 790 I HN -0.169 nan 8.210 nan 0.000 0.453 791 Y N 3.734 123.962 120.300 -0.120 0.000 2.712 791 Y HA 0.324 4.872 4.550 -0.005 0.000 0.333 791 Y C 1.307 177.244 175.900 0.061 0.000 1.225 791 Y CA 1.083 59.206 58.100 0.039 0.000 1.499 791 Y CB 0.465 38.959 38.460 0.057 0.000 1.288 791 Y HN 0.448 nan 8.280 nan 0.000 0.575 792 G N 3.309 111.539 108.800 -0.949 0.000 2.399 792 G HA2 -0.344 3.614 3.960 -0.004 0.000 0.216 792 G HA3 -0.344 3.614 3.960 -0.004 0.000 0.216 792 G C 0.916 175.684 174.900 -0.220 0.000 1.096 792 G CA 0.373 45.104 45.100 -0.615 0.000 0.650 792 G HN 0.960 nan 8.290 nan 0.000 0.512 793 V N 1.954 121.795 119.914 -0.121 0.000 2.427 793 V HA 0.037 4.154 4.120 -0.004 0.000 0.248 793 V C 2.827 178.920 176.094 -0.001 0.000 1.051 793 V CA 2.779 65.083 62.300 0.007 0.000 1.048 793 V CB -0.289 31.622 31.823 0.147 0.000 0.666 793 V HN 0.513 nan 8.190 nan 0.000 0.456 794 L N -0.014 121.192 121.223 -0.027 0.000 2.046 794 L HA -0.088 4.249 4.340 -0.004 0.000 0.208 794 L C 2.753 179.530 176.870 -0.156 0.000 1.077 794 L CA 1.618 56.425 54.840 -0.055 0.000 0.747 794 L CB -0.961 41.077 42.059 -0.035 0.000 0.896 794 L HN 0.394 nan 8.230 nan 0.000 0.432 795 A N 0.295 122.961 122.820 -0.256 0.000 1.845 795 A HA -0.228 4.090 4.320 -0.004 0.000 0.215 795 A C 2.240 179.513 177.584 -0.520 0.000 1.195 795 A CA 1.849 53.627 52.037 -0.430 0.000 0.616 795 A CB -0.737 17.832 19.000 -0.718 0.000 0.832 795 A HN 0.289 nan 8.150 nan 0.000 0.443 796 I N 0.243 120.502 120.570 -0.518 0.000 2.361 796 I HA -0.193 3.975 4.170 -0.004 0.000 0.251 796 I C 1.300 177.304 176.117 -0.188 0.000 1.133 796 I CA 1.856 62.951 61.300 -0.341 0.000 1.413 796 I CB -0.334 37.652 38.000 -0.023 0.000 1.073 796 I HN 0.265 nan 8.210 nan 0.000 0.424 797 D N -0.427 119.914 120.400 -0.100 0.000 2.178 797 D HA -0.120 4.518 4.640 -0.004 0.000 0.202 797 D C 2.199 178.442 176.300 -0.095 0.000 0.974 797 D CA 1.519 55.477 54.000 -0.069 0.000 0.841 797 D CB -0.300 40.499 40.800 -0.001 0.000 0.953 797 D HN 0.314 nan 8.370 nan 0.000 0.478 798 T N 0.700 115.184 114.554 -0.116 0.000 2.777 798 T HA -0.018 4.330 4.350 -0.004 0.000 0.266 798 T C 2.189 176.835 174.700 -0.090 0.000 1.040 798 T CA 0.406 62.448 62.100 -0.098 0.000 1.141 798 T CB -0.095 68.706 68.868 -0.112 0.000 0.868 798 T HN 0.130 nan 8.240 nan 0.000 0.444 799 I N 1.201 121.687 120.570 -0.139 0.000 2.163 799 I HA -0.135 4.032 4.170 -0.004 0.000 0.243 799 I C 2.884 178.952 176.117 -0.081 0.000 1.085 799 I CA 1.397 62.616 61.300 -0.135 0.000 1.347 799 I CB -0.689 37.128 38.000 -0.305 0.000 1.044 799 I HN 0.316 nan 8.210 nan 0.000 0.408 800 G N 0.398 109.134 108.800 -0.107 0.000 2.440 800 G HA2 -0.245 3.712 3.960 -0.004 0.000 0.218 800 G HA3 -0.245 3.712 3.960 -0.004 0.000 0.218 800 G C 1.760 176.633 174.900 -0.045 0.000 1.154 800 G CA 0.450 45.505 45.100 -0.075 0.000 0.767 800 G HN 0.297 nan 8.290 nan 0.000 0.552 801 R N -0.040 120.430 120.500 -0.050 0.000 2.249 801 R HA -0.042 4.296 4.340 -0.004 0.000 0.230 801 R C 2.278 178.570 176.300 -0.013 0.000 1.121 801 R CA 1.185 57.267 56.100 -0.031 0.000 0.997 801 R CB 0.001 30.278 30.300 -0.039 0.000 0.867 801 R HN 0.258 nan 8.270 nan 0.000 0.465 802 K N 0.461 120.855 120.400 -0.010 0.000 2.118 802 K HA 0.060 4.378 4.320 -0.004 0.000 0.214 802 K C 1.293 177.906 176.600 0.021 0.000 1.023 802 K CA 1.135 57.426 56.287 0.007 0.000 0.948 802 K CB -0.791 31.715 32.500 0.010 0.000 0.851 802 K HN 0.143 nan 8.250 nan 0.000 0.455 809 G N 0.150 108.943 108.800 -0.011 0.000 2.803 809 G HA2 0.634 4.592 3.960 -0.004 0.000 0.177 809 G HA3 0.634 4.592 3.960 -0.004 0.000 0.177 809 G C 0.231 175.100 174.900 -0.053 0.000 1.629 809 G CA 0.731 45.821 45.100 -0.016 0.000 1.077 809 G HN 1.325 nan 8.290 nan 0.000 0.556 810 I N -1.923 118.612 120.570 -0.057 0.000 2.529 810 I HA 0.755 4.922 4.170 -0.004 0.000 0.284 810 I C 1.425 177.483 176.117 -0.099 0.000 1.088 810 I CA -0.456 60.784 61.300 -0.101 0.000 1.062 810 I CB 0.450 38.390 38.000 -0.100 0.000 1.218 810 I HN 1.758 nan 8.210 nan 0.000 0.442 811 V N 3.156 122.989 119.914 -0.134 0.000 2.412 811 V HA -0.512 3.606 4.120 -0.004 0.000 0.222 811 V C 1.920 177.863 176.094 -0.252 0.000 0.952 811 V CA 3.705 65.863 62.300 -0.237 0.000 1.098 811 V CB -1.492 30.059 31.823 -0.454 0.000 0.856 811 V HN 0.998 nan 8.190 nan 0.000 0.519 812 D N -0.139 120.107 120.400 -0.256 0.000 2.191 812 D HA -0.210 4.427 4.640 -0.004 0.000 0.195 812 D C 2.070 178.203 176.300 -0.277 0.000 1.003 812 D CA 1.951 55.820 54.000 -0.218 0.000 0.867 812 D CB -0.133 40.607 40.800 -0.100 0.000 0.926 812 D HN 0.998 nan 8.370 nan 0.000 0.450 813 Q N -0.728 118.933 119.800 -0.232 0.000 2.319 813 Q HA 0.133 4.471 4.340 -0.004 0.000 0.202 813 Q C 1.064 176.914 176.000 -0.251 0.000 0.896 813 Q CA 0.610 56.256 55.803 -0.262 0.000 0.942 813 Q CB 0.540 29.168 28.738 -0.184 0.000 1.083 813 Q HN 0.286 nan 8.270 nan 0.000 0.510 814 S N -0.927 114.635 115.700 -0.230 0.000 2.787 814 S HA 0.292 4.760 4.470 -0.004 0.000 0.255 814 S C -0.142 174.333 174.600 -0.209 0.000 1.051 814 S CA -0.451 57.622 58.200 -0.212 0.000 1.124 814 S CB 0.466 63.550 63.200 -0.193 0.000 1.104 814 S HN 0.150 nan 8.310 nan 0.000 0.623 815 L N 1.905 123.007 121.223 -0.202 0.000 2.346 815 L HA 0.643 4.981 4.340 -0.004 0.000 0.276 815 L C 1.156 177.942 176.870 -0.139 0.000 1.006 815 L CA -0.029 54.715 54.840 -0.161 0.000 0.817 815 L CB 1.721 43.692 42.059 -0.148 0.000 1.272 815 L HN 0.096 nan 8.230 nan 0.000 0.421 816 S N 2.858 118.498 115.700 -0.100 0.000 2.383 816 S HA -0.131 4.336 4.470 -0.004 0.000 0.229 816 S C 1.427 176.018 174.600 -0.015 0.000 1.030 816 S CA 1.338 59.502 58.200 -0.060 0.000 1.002 816 S CB -0.206 62.984 63.200 -0.017 0.000 0.829 816 S HN 0.486 nan 8.310 nan 0.000 0.467 817 L N 1.399 122.609 121.223 -0.021 0.000 2.610 817 L HA 0.230 4.567 4.340 -0.004 0.000 0.232 817 L C 1.478 178.382 176.870 0.056 0.000 1.149 817 L CA 0.000 54.860 54.840 0.033 0.000 0.872 817 L CB -1.511 40.551 42.059 0.005 0.000 0.992 817 L HN 0.187 nan 8.230 nan 0.000 0.447 818 G N -1.317 107.447 108.800 -0.061 0.000 2.647 818 G HA2 0.321 4.279 3.960 -0.004 0.000 0.234 818 G HA3 0.321 4.279 3.960 -0.004 0.000 0.234 818 G C 1.099 176.079 174.900 0.134 0.000 1.252 818 G CA 0.262 45.261 45.100 -0.170 0.000 0.846 818 G HN 0.518 nan 8.290 nan 0.000 0.589 819 G N -0.941 107.927 108.800 0.114 0.000 2.176 819 G HA2 0.221 4.179 3.960 -0.004 0.000 0.232 819 G HA3 0.221 4.179 3.960 -0.004 0.000 0.232 819 G C 1.251 176.279 174.900 0.213 0.000 0.986 819 G CA 0.967 46.214 45.100 0.245 0.000 0.643 819 G HN 2.527 nan 8.290 nan 0.000 0.522 820 G N -1.370 107.681 108.800 0.418 0.000 3.006 820 G HA2 0.241 4.198 3.960 -0.004 0.000 0.195 820 G HA3 0.241 4.198 3.960 -0.004 0.000 0.195 820 G C 1.730 176.724 174.900 0.156 0.000 1.034 820 G CA 1.194 46.442 45.100 0.246 0.000 0.807 820 G HN 1.704 nan 8.290 nan 0.000 0.469 821 G N 1.132 110.058 108.800 0.210 0.000 2.470 821 G HA2 -0.029 3.928 3.960 -0.004 0.000 0.220 821 G HA3 -0.029 3.928 3.960 -0.004 0.000 0.220 821 G C 1.476 176.497 174.900 0.202 0.000 1.121 821 G CA 2.009 47.206 45.100 0.162 0.000 0.766 821 G HN 0.885 nan 8.290 nan 0.000 0.553 822 H N 0.018 119.146 119.070 0.097 0.000 2.423 822 H HA 0.048 4.602 4.556 -0.004 0.000 0.297 822 H C 2.304 177.717 175.328 0.142 0.000 1.075 822 H CA 1.135 57.261 56.048 0.129 0.000 1.342 822 H CB -0.974 28.831 29.762 0.072 0.000 1.395 822 H HN 0.194 nan 8.280 nan 0.000 0.530 823 V N 1.714 121.327 119.914 -0.502 0.000 2.307 823 V HA -0.223 3.894 4.120 -0.004 0.000 0.245 823 V C 2.638 178.677 176.094 -0.091 0.000 1.045 823 V CA 2.277 64.392 62.300 -0.309 0.000 1.024 823 V CB -0.874 30.737 31.823 -0.353 0.000 0.651 823 V HN 0.488 nan 8.190 nan 0.000 0.449 824 T N 0.404 114.941 114.554 -0.029 0.000 2.759 824 T HA -0.227 4.120 4.350 -0.004 0.000 0.269 824 T C 1.703 176.449 174.700 0.076 0.000 1.042 824 T CA 2.027 64.145 62.100 0.030 0.000 1.140 824 T CB -0.441 68.462 68.868 0.058 0.000 0.864 824 T HN 0.451 nan 8.240 nan 0.000 0.455 825 F N 1.663 121.608 119.950 -0.008 0.000 2.146 825 F HA 0.048 4.573 4.527 -0.004 0.000 0.298 825 F C 2.183 177.975 175.800 -0.013 0.000 1.096 825 F CA 1.110 59.117 58.000 0.012 0.000 1.275 825 F CB -0.449 38.578 39.000 0.045 0.000 1.008 825 F HN 0.035 nan 8.300 nan 0.000 0.480 826 M N -0.108 119.426 119.600 -0.109 0.000 2.229 826 M HA -0.169 4.309 4.480 -0.004 0.000 0.264 826 M C 2.000 178.194 176.300 -0.177 0.000 1.063 826 M CA 1.570 56.730 55.300 -0.234 0.000 1.114 826 M CB -0.536 31.995 32.600 -0.115 0.000 1.387 826 M HN 0.202 nan 8.290 nan 0.000 0.420 827 E N 0.554 120.694 120.200 -0.101 0.000 2.051 827 E HA -0.224 4.123 4.350 -0.004 0.000 0.192 827 E C 1.999 178.547 176.600 -0.087 0.000 0.991 827 E CA 1.204 57.583 56.400 -0.034 0.000 0.799 827 E CB -0.119 29.574 29.700 -0.011 0.000 0.748 827 E HN 0.392 nan 8.360 nan 0.000 0.449 828 K N 0.660 120.977 120.400 -0.138 0.000 2.020 828 K HA -0.204 4.113 4.320 -0.004 0.000 0.212 828 K C 2.202 178.656 176.600 -0.243 0.000 1.050 828 K CA 1.851 58.039 56.287 -0.166 0.000 0.929 828 K CB -0.210 32.227 32.500 -0.105 0.000 0.714 828 K HN 0.189 nan 8.250 nan 0.000 0.443 829 C N 0.283 119.344 119.300 -0.398 0.000 2.425 829 C HA -0.105 4.352 4.460 -0.004 0.000 0.277 829 C C 2.406 177.278 174.990 -0.197 0.000 1.280 829 C CA 0.325 59.122 59.018 -0.368 0.000 1.744 829 C CB -1.148 26.244 27.740 -0.580 0.000 1.989 829 C HN 0.561 nan 8.230 nan 0.000 0.491 830 F N 2.307 122.081 119.950 -0.293 0.000 2.234 830 F HA -0.080 4.445 4.527 -0.004 0.000 0.299 830 F C 2.149 177.843 175.800 -0.177 0.000 1.087 830 F CA 1.413 59.257 58.000 -0.259 0.000 1.340 830 F CB -0.536 38.316 39.000 -0.246 0.000 1.031 830 F HN 0.180 nan 8.300 nan 0.000 0.500 831 K N -0.200 119.963 120.400 -0.395 0.000 2.360 831 K HA -0.156 4.161 4.320 -0.004 0.000 0.201 831 K C 1.361 177.788 176.600 -0.288 0.000 1.046 831 K CA 1.325 57.283 56.287 -0.549 0.000 0.940 831 K CB -0.123 32.051 32.500 -0.544 0.000 0.748 831 K HN 0.300 nan 8.250 nan 0.000 0.465 832 E N 0.186 120.259 120.200 -0.211 0.000 2.447 832 E HA 0.046 4.394 4.350 -0.004 0.000 0.204 832 E C 0.241 176.804 176.600 -0.063 0.000 0.977 832 E CA 0.021 56.349 56.400 -0.120 0.000 0.950 832 E CB 0.228 29.875 29.700 -0.088 0.000 0.975 832 E HN -0.069 nan 8.360 nan 0.000 0.496 833 V N 2.805 122.650 119.914 -0.115 0.000 2.617 833 V HA -0.074 4.043 4.120 -0.004 0.000 0.304 833 V C 0.265 176.442 176.094 0.139 0.000 1.040 833 V CA 0.538 62.811 62.300 -0.046 0.000 1.149 833 V CB -0.031 31.665 31.823 -0.212 0.000 0.914 833 V HN 0.142 nan 8.190 nan 0.000 0.487 834 N N 2.692 121.534 118.700 0.235 0.000 2.238 834 N HA 0.388 5.126 4.740 -0.004 0.000 0.302 834 N C 0.400 176.242 175.510 0.554 0.000 1.072 834 N CA -0.846 52.410 53.050 0.343 0.000 0.792 834 N CB 1.462 40.080 38.487 0.218 0.000 1.425 834 N HN 0.469 nan 8.380 nan 0.000 0.478 835 L N 1.902 123.499 121.223 0.624 0.000 2.187 835 L HA -0.070 4.268 4.340 -0.004 0.000 0.213 835 L C 1.761 178.957 176.870 0.543 0.000 1.100 835 L CA 1.737 56.948 54.840 0.618 0.000 0.765 835 L CB -0.401 41.868 42.059 0.351 0.000 0.904 835 L HN 0.705 nan 8.230 nan 0.000 0.437 836 Q N -0.340 119.694 119.800 0.390 0.000 2.224 836 Q HA -0.172 4.166 4.340 -0.004 0.000 0.203 836 Q C 1.703 177.880 176.000 0.295 0.000 0.970 836 Q CA 1.313 57.293 55.803 0.295 0.000 0.865 836 Q CB -0.332 28.508 28.738 0.170 0.000 0.922 836 Q HN 0.605 nan 8.270 nan 0.000 0.445 837 D N -0.565 120.022 120.400 0.312 0.000 2.221 837 D HA -0.166 4.471 4.640 -0.004 0.000 0.204 837 D C 1.028 177.403 176.300 0.125 0.000 0.982 837 D CA 0.956 55.055 54.000 0.165 0.000 0.857 837 D CB -0.203 40.626 40.800 0.047 0.000 0.934 837 D HN 0.377 nan 8.370 nan 0.000 0.475 838 Y N -0.631 119.819 120.300 0.250 0.000 2.490 838 Y HA 0.073 4.620 4.550 -0.004 0.000 0.281 838 Y C 0.612 176.660 175.900 0.246 0.000 1.174 838 Y CA -0.134 58.136 58.100 0.283 0.000 1.295 838 Y CB -0.608 38.045 38.460 0.321 0.000 1.062 838 Y HN 0.030 nan 8.280 nan 0.000 0.522 839 H N 0.449 119.617 119.070 0.164 0.000 2.761 839 H HA 0.179 4.733 4.556 -0.004 0.000 0.284 839 H C 1.087 176.086 175.328 -0.549 0.000 1.105 839 H CA -0.407 55.560 56.048 -0.136 0.000 1.352 839 H CB 0.622 30.380 29.762 -0.007 0.000 1.423 839 H HN 0.189 nan 8.280 nan 0.000 0.464 840 L N 7.299 127.791 121.223 -1.217 0.000 1.970 840 L HA 0.000 4.338 4.340 -0.004 0.000 0.212 840 L C -0.882 175.606 176.870 -0.637 0.000 1.071 840 L CA 1.499 55.808 54.840 -0.885 0.000 0.751 840 L CB -0.705 40.728 42.059 -1.043 0.000 0.889 840 L HN 0.615 nan 8.230 nan 0.000 0.432 841 P HA -0.166 nan 4.420 nan 0.000 0.215 841 P C 0.973 178.192 177.300 -0.134 0.000 1.157 841 P CA 2.002 64.888 63.100 -0.357 0.000 0.874 841 P CB -0.286 31.247 31.700 -0.280 0.000 0.790 842 N N -0.715 117.982 118.700 -0.004 0.000 2.120 842 N HA -0.121 4.617 4.740 -0.004 0.000 0.188 842 N C 1.778 177.255 175.510 -0.055 0.000 1.024 842 N CA 0.922 53.904 53.050 -0.113 0.000 0.852 842 N CB -0.419 37.881 38.487 -0.313 0.000 1.003 842 N HN 0.065 nan 8.380 nan 0.000 0.424 843 A N 1.458 124.260 122.820 -0.031 0.000 1.898 843 A HA -0.060 4.257 4.320 -0.004 0.000 0.216 843 A C 2.158 179.753 177.584 0.017 0.000 1.181 843 A CA 0.928 52.969 52.037 0.006 0.000 0.620 843 A CB -0.653 18.363 19.000 0.025 0.000 0.819 843 A HN 0.153 nan 8.150 nan 0.000 0.442 844 L N -0.660 120.554 121.223 -0.016 0.000 2.083 844 L HA -0.191 4.146 4.340 -0.004 0.000 0.209 844 L C 2.640 179.528 176.870 0.030 0.000 1.083 844 L CA 1.860 56.712 54.840 0.021 0.000 0.752 844 L CB -0.471 41.557 42.059 -0.050 0.000 0.899 844 L HN 0.467 nan 8.230 nan 0.000 0.433 845 K N 1.105 121.502 120.400 -0.006 0.000 2.002 845 K HA -0.262 4.055 4.320 -0.004 0.000 0.209 845 K C 2.249 178.861 176.600 0.020 0.000 1.048 845 K CA 1.833 58.121 56.287 0.003 0.000 0.930 845 K CB -0.035 32.452 32.500 -0.023 0.000 0.714 845 K HN 0.101 nan 8.250 nan 0.000 0.438 846 K N 0.846 121.253 120.400 0.011 0.000 2.044 846 K HA -0.196 4.122 4.320 -0.004 0.000 0.210 846 K C 1.932 178.556 176.600 0.039 0.000 1.049 846 K CA 1.805 58.104 56.287 0.019 0.000 0.927 846 K CB -0.098 32.410 32.500 0.014 0.000 0.713 846 K HN 0.108 nan 8.250 nan 0.000 0.443 847 R N -0.513 120.022 120.500 0.059 0.000 2.293 847 R HA -0.016 4.322 4.340 -0.004 0.000 0.219 847 R C 1.070 177.435 176.300 0.109 0.000 1.091 847 R CA 0.646 56.797 56.100 0.084 0.000 1.004 847 R CB -0.276 30.089 30.300 0.109 0.000 0.865 847 R HN 0.599 nan 8.270 nan 0.000 0.469 848 G N 0.900 109.758 108.800 0.097 0.000 2.249 848 G HA2 -0.264 3.694 3.960 -0.004 0.000 0.273 848 G HA3 -0.264 3.694 3.960 -0.004 0.000 0.273 848 G C 0.490 175.520 174.900 0.216 0.000 1.036 848 G CA 0.474 45.646 45.100 0.119 0.000 0.824 848 G HN 0.368 nan 8.290 nan 0.000 0.504 849 V N -2.184 117.851 119.914 0.202 0.000 3.121 849 V HA 0.422 4.539 4.120 -0.004 0.000 0.344 849 V C 1.127 177.347 176.094 0.211 0.000 1.390 849 V CA 0.824 63.267 62.300 0.238 0.000 1.177 849 V CB 0.644 32.632 31.823 0.274 0.000 1.163 849 V HN 0.343 nan 8.190 nan 0.000 0.484 850 D N -1.007 119.467 120.400 0.124 0.000 2.363 850 D HA 0.063 4.701 4.640 -0.004 0.000 0.214 850 D C 0.174 176.501 176.300 0.045 0.000 1.093 850 D CA 0.010 54.042 54.000 0.053 0.000 0.837 850 D CB 0.262 41.065 40.800 0.005 0.000 0.948 850 D HN 0.464 nan 8.370 nan 0.000 0.507 851 D N 1.113 121.560 120.400 0.078 0.000 2.412 851 D HA 0.208 4.845 4.640 -0.004 0.000 0.224 851 D C -1.822 174.517 176.300 0.066 0.000 1.093 851 D CA -2.277 51.762 54.000 0.065 0.000 0.850 851 D CB 2.133 42.978 40.800 0.075 0.000 1.046 851 D HN -0.147 nan 8.370 nan 0.000 0.507 852 P HA -0.096 nan 4.420 nan 0.000 0.222 852 P C 1.187 178.512 177.300 0.041 0.000 1.147 852 P CA 0.759 63.879 63.100 0.033 0.000 0.790 852 P CB 0.220 31.933 31.700 0.022 0.000 0.780 853 S N -1.941 113.792 115.700 0.055 0.000 2.436 853 S HA -0.034 4.434 4.470 -0.004 0.000 0.228 853 S C 1.808 176.476 174.600 0.115 0.000 1.014 853 S CA 0.633 58.874 58.200 0.069 0.000 0.950 853 S CB -0.576 62.662 63.200 0.064 0.000 0.784 853 S HN -0.011 nan 8.310 nan 0.000 0.504 854 K N 0.121 120.604 120.400 0.137 0.000 2.242 854 K HA 0.429 4.747 4.320 -0.004 0.000 0.200 854 K C 0.202 176.936 176.600 0.223 0.000 1.050 854 K CA 0.245 56.677 56.287 0.241 0.000 0.981 854 K CB -0.310 32.310 32.500 0.200 0.000 0.795 854 K HN 0.451 nan 8.250 nan 0.000 0.477 855 L N 2.461 123.733 121.223 0.082 0.000 2.433 855 L HA 0.429 4.766 4.340 -0.004 0.000 0.256 855 L C -2.964 173.858 176.870 -0.080 0.000 1.063 855 L CA -2.483 52.297 54.840 -0.099 0.000 0.922 855 L CB 1.410 43.288 42.059 -0.301 0.000 1.238 855 L HN -0.048 nan 8.230 nan 0.000 0.466 856 P HA 0.403 nan 4.420 nan 0.000 0.278 856 P C 0.289 177.500 177.300 -0.149 0.000 1.266 856 P CA 0.091 63.149 63.100 -0.070 0.000 0.807 856 P CB 0.901 32.579 31.700 -0.036 0.000 1.094 857 G N -0.188 108.495 108.800 -0.194 0.000 2.314 857 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.292 857 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.292 857 G C -0.562 173.795 174.900 -0.906 0.000 1.059 857 G CA -0.268 44.518 45.100 -0.524 0.000 0.982 857 G HN 0.494 nan 8.290 nan 0.000 0.505 858 F N 1.179 120.577 119.950 -0.921 0.000 2.451 858 F HA 0.601 5.126 4.527 -0.004 0.000 0.367 858 F C 0.788 176.244 175.800 -0.573 0.000 1.100 858 F CA -2.798 54.801 58.000 -0.668 0.000 1.171 858 F CB 0.222 38.998 39.000 -0.373 0.000 1.405 858 F HN 0.168 nan 8.300 nan 0.000 0.482 859 Y N 2.843 123.046 120.300 -0.162 0.000 2.397 859 Y HA -0.160 4.388 4.550 -0.003 0.000 0.292 859 Y C 2.117 177.696 175.900 -0.535 0.000 1.115 859 Y CA 0.915 58.790 58.100 -0.375 0.000 1.208 859 Y CB -0.501 37.707 38.460 -0.420 0.000 1.046 859 Y HN 0.563 nan 8.280 nan 0.000 0.552 860 Y N 2.082 121.983 120.300 -0.664 0.000 2.102 860 Y HA -0.362 4.185 4.550 -0.005 0.000 0.280 860 Y C 2.711 178.411 175.900 -0.334 0.000 1.178 860 Y CA 2.072 60.003 58.100 -0.282 0.000 1.146 860 Y CB -0.391 38.054 38.460 -0.026 0.000 0.968 860 Y HN 0.019 nan 8.280 nan 0.000 0.504 861 R N 0.194 120.114 120.500 -0.967 0.000 2.070 861 R HA -0.171 4.167 4.340 -0.004 0.000 0.232 861 R C 1.780 177.782 176.300 -0.496 0.000 1.138 861 R CA 2.186 57.695 56.100 -0.984 0.000 0.936 861 R CB -0.549 28.938 30.300 -1.355 0.000 0.839 861 R HN 0.348 nan 8.270 nan 0.000 0.429 862 D N 0.772 120.978 120.400 -0.324 0.000 2.084 862 D HA -0.150 4.487 4.640 -0.004 0.000 0.194 862 D C 1.637 177.910 176.300 -0.044 0.000 0.990 862 D CA 1.488 55.416 54.000 -0.121 0.000 0.826 862 D CB -0.534 40.265 40.800 -0.001 0.000 0.971 862 D HN 0.328 nan 8.370 nan 0.000 0.453 863 D N 0.173 120.577 120.400 0.007 0.000 2.117 863 D HA -0.068 4.569 4.640 -0.004 0.000 0.198 863 D C 2.212 178.572 176.300 0.099 0.000 0.982 863 D CA 1.316 55.375 54.000 0.098 0.000 0.828 863 D CB -0.791 40.145 40.800 0.227 0.000 0.967 863 D HN 0.268 nan 8.370 nan 0.000 0.464 864 G N 1.031 109.826 108.800 -0.008 0.000 2.476 864 G HA2 -0.246 3.711 3.960 -0.004 0.000 0.218 864 G HA3 -0.246 3.711 3.960 -0.004 0.000 0.218 864 G C 1.739 176.693 174.900 0.089 0.000 1.164 864 G CA 0.546 45.678 45.100 0.054 0.000 0.768 864 G HN 0.264 nan 8.290 nan 0.000 0.560 865 L N 0.471 121.657 121.223 -0.063 0.000 2.093 865 L HA 0.016 4.354 4.340 -0.004 0.000 0.208 865 L C 3.420 180.353 176.870 0.105 0.000 1.085 865 L CA 0.855 55.675 54.840 -0.033 0.000 0.755 865 L CB -0.396 41.598 42.059 -0.108 0.000 0.904 865 L HN 0.321 nan 8.230 nan 0.000 0.435 866 A N 0.217 123.095 122.820 0.096 0.000 1.902 866 A HA -0.164 4.154 4.320 -0.004 0.000 0.217 866 A C 2.245 179.938 177.584 0.182 0.000 1.181 866 A CA 1.402 53.511 52.037 0.121 0.000 0.623 866 A CB -0.635 18.419 19.000 0.090 0.000 0.818 866 A HN 0.335 nan 8.150 nan 0.000 0.443 867 L N -1.717 119.651 121.223 0.242 0.000 2.027 867 L HA -0.196 4.142 4.340 -0.004 0.000 0.206 867 L C 2.629 179.733 176.870 0.389 0.000 1.074 867 L CA 1.429 56.460 54.840 0.319 0.000 0.745 867 L CB -0.548 41.743 42.059 0.387 0.000 0.898 867 L HN 0.781 nan 8.230 nan 0.000 0.433 868 W N 1.594 123.008 121.300 0.189 0.000 2.317 868 W HA -0.287 4.371 4.660 -0.005 0.000 0.318 868 W C 2.369 178.901 176.519 0.022 0.000 1.227 868 W CA 2.304 59.637 57.345 -0.020 0.000 1.269 868 W CB -0.262 28.970 29.460 -0.379 0.000 1.155 868 W HN 0.316 nan 8.180 nan 0.000 0.484 869 E N 0.698 121.047 120.200 0.248 0.000 2.077 869 E HA -0.201 4.146 4.350 -0.004 0.000 0.193 869 E C 2.186 178.844 176.600 0.096 0.000 0.989 869 E CA 1.819 58.312 56.400 0.156 0.000 0.800 869 E CB -0.492 29.319 29.700 0.184 0.000 0.746 869 E HN 0.225 nan 8.360 nan 0.000 0.452 870 A N 1.286 124.207 122.820 0.168 0.000 1.902 870 A HA -0.152 4.165 4.320 -0.004 0.000 0.217 870 A C 2.349 180.104 177.584 0.286 0.000 1.181 870 A CA 1.433 53.626 52.037 0.261 0.000 0.623 870 A CB -0.655 18.526 19.000 0.301 0.000 0.818 870 A HN 0.324 nan 8.150 nan 0.000 0.443 871 I N -0.799 119.892 120.570 0.202 0.000 2.315 871 I HA -0.227 3.940 4.170 -0.004 0.000 0.248 871 I C 2.592 178.602 176.117 -0.177 0.000 1.117 871 I CA 1.704 63.009 61.300 0.007 0.000 1.404 871 I CB -0.245 37.765 38.000 0.016 0.000 1.071 871 I HN 0.549 nan 8.210 nan 0.000 0.419 872 E N 0.567 120.609 120.200 -0.263 0.000 2.072 872 E HA -0.180 4.167 4.350 -0.004 0.000 0.190 872 E C 2.074 178.584 176.600 -0.150 0.000 0.982 872 E CA 1.635 57.856 56.400 -0.298 0.000 0.803 872 E CB 0.094 29.583 29.700 -0.351 0.000 0.755 872 E HN 0.345 nan 8.360 nan 0.000 0.453 873 T N 1.021 115.541 114.554 -0.057 0.000 2.635 873 T HA -0.213 4.134 4.350 -0.004 0.000 0.267 873 T C 1.427 176.108 174.700 -0.033 0.000 1.040 873 T CA 1.651 63.745 62.100 -0.010 0.000 1.156 873 T CB -0.548 68.356 68.868 0.061 0.000 0.863 873 T HN 0.281 nan 8.240 nan 0.000 0.430 874 F N 1.667 121.495 119.950 -0.203 0.000 2.095 874 F HA -0.049 4.476 4.527 -0.003 0.000 0.298 874 F C 2.023 177.657 175.800 -0.278 0.000 1.104 874 F CA 0.986 58.800 58.000 -0.310 0.000 1.232 874 F CB -0.598 37.925 39.000 -0.795 0.000 0.987 874 F HN 0.109 nan 8.300 nan 0.000 0.475 875 I N 0.395 120.663 120.570 -0.503 0.000 2.264 875 I HA -0.252 3.915 4.170 -0.004 0.000 0.248 875 I C 2.739 178.642 176.117 -0.357 0.000 1.111 875 I CA 1.429 62.431 61.300 -0.497 0.000 1.382 875 I CB -1.403 36.413 38.000 -0.306 0.000 1.060 875 I HN 0.356 nan 8.210 nan 0.000 0.418 876 G N 0.389 109.039 108.800 -0.250 0.000 2.418 876 G HA2 -0.217 3.741 3.960 -0.004 0.000 0.217 876 G HA3 -0.217 3.741 3.960 -0.004 0.000 0.217 876 G C 1.520 176.320 174.900 -0.166 0.000 1.158 876 G CA 0.537 45.536 45.100 -0.168 0.000 0.771 876 G HN 0.419 nan 8.290 nan 0.000 0.545 877 E N -0.005 120.073 120.200 -0.204 0.000 2.072 877 E HA -0.079 4.268 4.350 -0.004 0.000 0.191 877 E C 2.551 179.021 176.600 -0.217 0.000 0.985 877 E CA 0.499 56.791 56.400 -0.179 0.000 0.801 877 E CB -0.080 29.540 29.700 -0.134 0.000 0.750 877 E HN 0.271 nan 8.360 nan 0.000 0.452 878 I N 1.292 121.645 120.570 -0.361 0.000 2.118 878 I HA -0.299 3.868 4.170 -0.004 0.000 0.241 878 I C 2.458 178.599 176.117 0.040 0.000 1.070 878 I CA 1.489 62.644 61.300 -0.240 0.000 1.327 878 I CB -0.962 36.768 38.000 -0.451 0.000 1.034 878 I HN 0.169 nan 8.210 nan 0.000 0.405 879 I N 0.936 121.499 120.570 -0.012 0.000 2.208 879 I HA -0.294 3.874 4.170 -0.004 0.000 0.245 879 I C 2.624 178.849 176.117 0.180 0.000 1.097 879 I CA 1.564 62.941 61.300 0.128 0.000 1.363 879 I CB -0.412 37.551 38.000 -0.061 0.000 1.051 879 I HN 0.156 nan 8.210 nan 0.000 0.413 880 A N 0.384 123.223 122.820 0.032 0.000 2.067 880 A HA -0.105 4.212 4.320 -0.004 0.000 0.219 880 A C 2.238 179.790 177.584 -0.053 0.000 1.158 880 A CA 1.204 53.243 52.037 0.004 0.000 0.661 880 A CB -0.724 18.252 19.000 -0.040 0.000 0.801 880 A HN 0.434 nan 8.150 nan 0.000 0.452 881 I N -2.374 118.119 120.570 -0.129 0.000 2.353 881 I HA -0.152 4.015 4.170 -0.004 0.000 0.248 881 I C 1.820 177.616 176.117 -0.534 0.000 1.119 881 I CA 1.221 62.282 61.300 -0.399 0.000 1.417 881 I CB -0.118 37.504 38.000 -0.629 0.000 1.078 881 I HN 0.354 nan 8.210 nan 0.000 0.421 882 F N -1.359 118.556 119.950 -0.058 0.000 2.602 882 F HA 0.158 4.682 4.527 -0.005 0.000 0.284 882 F C 0.138 175.777 175.800 -0.268 0.000 1.111 882 F CA -0.309 57.578 58.000 -0.189 0.000 1.405 882 F CB 0.166 39.004 39.000 -0.270 0.000 1.121 882 F HN -0.189 nan 8.300 nan 0.000 0.603 883 Y N 1.178 121.549 120.300 0.118 0.000 2.342 883 Y HA 0.341 4.889 4.550 -0.004 0.000 0.338 883 Y C 1.008 176.932 175.900 0.040 0.000 0.965 883 Y CA -1.246 56.908 58.100 0.089 0.000 1.159 883 Y CB 0.799 39.304 38.460 0.075 0.000 1.157 883 Y HN -0.252 nan 8.280 nan 0.000 0.486 884 K N 2.057 122.552 120.400 0.159 0.000 2.361 884 K HA 0.094 4.411 4.320 -0.004 0.000 0.196 884 K C -0.339 176.311 176.600 0.083 0.000 1.039 884 K CA 0.365 56.701 56.287 0.082 0.000 1.001 884 K CB -0.256 32.274 32.500 0.050 0.000 0.795 884 K HN 0.927 nan 8.250 nan 0.000 0.495 885 N N -1.904 116.868 118.700 0.120 0.000 3.339 885 N HA 0.087 4.824 4.740 -0.004 0.000 0.275 885 N C -0.389 175.184 175.510 0.104 0.000 1.514 885 N CA -0.564 52.536 53.050 0.084 0.000 0.879 885 N CB 0.069 38.591 38.487 0.058 0.000 1.557 885 N HN -0.395 nan 8.380 nan 0.000 0.524 886 D N -0.628 119.811 120.400 0.064 0.000 2.183 886 D HA -0.056 4.582 4.640 -0.004 0.000 0.203 886 D C 0.401 176.743 176.300 0.070 0.000 0.969 886 D CA 0.959 54.993 54.000 0.058 0.000 0.842 886 D CB -0.202 40.620 40.800 0.038 0.000 0.957 886 D HN 0.488 nan 8.370 nan 0.000 0.484 887 D N 0.862 121.292 120.400 0.049 0.000 2.178 887 D HA -0.123 4.515 4.640 -0.004 0.000 0.201 887 D C 1.347 177.654 176.300 0.010 0.000 0.980 887 D CA 0.772 54.778 54.000 0.010 0.000 0.842 887 D CB -0.083 40.699 40.800 -0.030 0.000 0.948 887 D HN 0.157 nan 8.370 nan 0.000 0.472 888 D N -0.020 120.451 120.400 0.119 0.000 2.144 888 D HA -0.096 4.541 4.640 -0.004 0.000 0.199 888 D C 2.258 178.851 176.300 0.488 0.000 0.984 888 D CA 0.304 54.485 54.000 0.303 0.000 0.834 888 D CB -0.098 40.973 40.800 0.453 0.000 0.955 888 D HN 0.077 nan 8.370 nan 0.000 0.465 889 V N 0.846 120.988 119.914 0.381 0.000 2.307 889 V HA -0.222 3.895 4.120 -0.004 0.000 0.245 889 V C 2.244 178.488 176.094 0.250 0.000 1.045 889 V CA 1.554 64.016 62.300 0.270 0.000 1.024 889 V CB -0.318 31.507 31.823 0.003 0.000 0.651 889 V HN 0.168 nan 8.190 nan 0.000 0.449 890 K N -0.168 120.323 120.400 0.152 0.000 2.097 890 K HA -0.128 4.190 4.320 -0.004 0.000 0.206 890 K C 2.297 178.937 176.600 0.066 0.000 1.049 890 K CA 1.293 57.642 56.287 0.103 0.000 0.933 890 K CB -0.209 32.318 32.500 0.044 0.000 0.717 890 K HN 0.381 nan 8.250 nan 0.000 0.442 891 R N 0.815 121.304 120.500 -0.020 0.000 2.193 891 R HA -0.036 4.302 4.340 -0.004 0.000 0.213 891 R C 0.358 176.718 176.300 0.100 0.000 1.055 891 R CA 0.337 56.329 56.100 -0.181 0.000 0.995 891 R CB -0.059 29.767 30.300 -0.789 0.000 0.893 891 R HN 0.107 nan 8.270 nan 0.000 0.459 892 D N 1.507 122.129 120.400 0.369 0.000 2.367 892 D HA -0.045 4.593 4.640 -0.004 0.000 0.255 892 D C 0.341 176.847 176.300 0.343 0.000 1.300 892 D CA -0.039 54.265 54.000 0.507 0.000 0.959 892 D CB 0.159 41.322 40.800 0.605 0.000 1.064 892 D HN 0.243 nan 8.370 nan 0.000 0.509 893 N N 2.329 121.195 118.700 0.276 0.000 2.459 893 N HA -0.133 4.604 4.740 -0.004 0.000 0.181 893 N C 1.079 176.711 175.510 0.204 0.000 1.046 893 N CA 0.602 53.770 53.050 0.197 0.000 0.904 893 N CB 0.090 38.663 38.487 0.143 0.000 0.964 893 N HN 0.425 nan 8.380 nan 0.000 0.444 894 E N 0.192 120.526 120.200 0.224 0.000 2.046 894 E HA -0.069 4.278 4.350 -0.004 0.000 0.190 894 E C 1.574 178.288 176.600 0.190 0.000 0.982 894 E CA 0.604 57.106 56.400 0.169 0.000 0.800 894 E CB -0.049 29.716 29.700 0.108 0.000 0.756 894 E HN 0.262 nan 8.360 nan 0.000 0.449 895 I N 1.600 122.302 120.570 0.221 0.000 2.286 895 I HA -0.281 3.886 4.170 -0.004 0.000 0.248 895 I C 2.088 178.508 176.117 0.504 0.000 1.115 895 I CA 1.391 62.887 61.300 0.327 0.000 1.392 895 I CB -0.075 38.113 38.000 0.313 0.000 1.065 895 I HN 0.045 nan 8.210 nan 0.000 0.418 896 Q N -0.195 119.832 119.800 0.379 0.000 2.084 896 Q HA -0.139 4.199 4.340 -0.004 0.000 0.202 896 Q C 2.399 178.552 176.000 0.255 0.000 0.978 896 Q CA 1.946 57.921 55.803 0.286 0.000 0.844 896 Q CB -0.741 28.107 28.738 0.183 0.000 0.898 896 Q HN 0.481 nan 8.270 nan 0.000 0.426 897 S N 0.352 116.205 115.700 0.254 0.000 2.402 897 S HA -0.137 4.331 4.470 -0.004 0.000 0.229 897 S C 1.354 176.140 174.600 0.311 0.000 1.021 897 S CA 0.868 59.224 58.200 0.259 0.000 0.974 897 S CB -0.368 62.963 63.200 0.218 0.000 0.800 897 S HN 0.505 nan 8.310 nan 0.000 0.484 898 W N 2.002 123.385 121.300 0.139 0.000 2.332 898 W HA -0.121 4.536 4.660 -0.004 0.000 0.321 898 W C 1.885 178.471 176.519 0.111 0.000 1.219 898 W CA 0.959 58.380 57.345 0.127 0.000 1.277 898 W CB -0.636 28.897 29.460 0.121 0.000 1.161 898 W HN 0.212 nan 8.180 nan 0.000 0.476 899 I N -0.268 120.410 120.570 0.180 0.000 2.252 899 I HA -0.234 3.934 4.170 -0.004 0.000 0.245 899 I C 2.352 178.363 176.117 -0.177 0.000 1.102 899 I CA 1.640 62.817 61.300 -0.205 0.000 1.385 899 I CB -1.222 36.578 38.000 -0.334 0.000 1.064 899 I HN 0.198 nan 8.210 nan 0.000 0.414 900 Y N 0.930 121.161 120.300 -0.116 0.000 2.181 900 Y HA -0.289 4.258 4.550 -0.004 0.000 0.288 900 Y C 2.289 178.165 175.900 -0.040 0.000 1.146 900 Y CA 2.129 60.183 58.100 -0.075 0.000 1.164 900 Y CB -0.411 38.030 38.460 -0.032 0.000 0.982 900 Y HN 0.245 nan 8.280 nan 0.000 0.515 901 D N -0.635 119.769 120.400 0.008 0.000 2.149 901 D HA -0.167 4.471 4.640 -0.004 0.000 0.198 901 D C 2.199 178.370 176.300 -0.215 0.000 0.990 901 D CA 1.484 55.483 54.000 -0.002 0.000 0.839 901 D CB -0.094 40.839 40.800 0.223 0.000 0.948 901 D HN 0.293 nan 8.370 nan 0.000 0.460 902 V N -0.291 119.389 119.914 -0.389 0.000 2.379 902 V HA -0.193 3.924 4.120 -0.004 0.000 0.245 902 V C 2.301 178.064 176.094 -0.552 0.000 1.044 902 V CA 1.882 63.804 62.300 -0.630 0.000 1.036 902 V CB -0.638 30.424 31.823 -1.268 0.000 0.664 902 V HN 0.323 nan 8.190 nan 0.000 0.453 903 H N 0.875 119.614 119.070 -0.552 0.000 2.321 903 H HA -0.191 4.363 4.556 -0.004 0.000 0.300 903 H C 2.218 177.279 175.328 -0.444 0.000 1.087 903 H CA 2.387 58.175 56.048 -0.434 0.000 1.319 903 H CB 0.061 29.581 29.762 -0.403 0.000 1.379 903 H HN 0.271 nan 8.280 nan 0.000 0.501 904 K N 0.080 120.109 120.400 -0.618 0.000 2.067 904 K HA 0.037 4.355 4.320 -0.004 0.000 0.203 904 K C 1.070 177.366 176.600 -0.506 0.000 1.048 904 K CA 1.897 57.818 56.287 -0.609 0.000 0.954 904 K CB 0.161 32.193 32.500 -0.779 0.000 0.737 904 K HN 0.503 nan 8.250 nan 0.000 0.444 905 N N -1.436 116.908 118.700 -0.593 0.000 2.197 905 N HA 0.181 4.919 4.740 -0.004 0.000 0.201 905 N C 0.925 175.798 175.510 -1.061 0.000 1.148 905 N CA 0.273 52.844 53.050 -0.797 0.000 0.883 905 N CB 1.195 39.053 38.487 -1.049 0.000 1.012 905 N HN 0.234 nan 8.380 nan 0.000 0.507 906 G N 0.028 108.349 108.800 -0.798 0.000 2.724 906 G HA2 -0.032 3.925 3.960 -0.004 0.000 0.217 906 G HA3 -0.032 3.925 3.960 -0.004 0.000 0.217 906 G C -0.479 174.464 174.900 0.072 0.000 1.251 906 G CA -0.138 44.643 45.100 -0.531 0.000 0.867 906 G HN 0.149 nan 8.290 nan 0.000 0.590 907 W N 3.037 124.209 121.300 -0.213 0.000 1.828 907 W HA 0.595 5.252 4.660 -0.005 0.000 0.369 907 W C 0.033 176.533 176.519 -0.032 0.000 0.764 907 W CA -1.846 55.510 57.345 0.019 0.000 1.660 907 W CB -0.610 28.866 29.460 0.027 0.000 1.843 907 W HN 0.002 nan 8.180 nan 0.000 0.286 908 R N 0.797 121.358 120.500 0.102 0.000 2.458 908 R HA 0.168 4.505 4.340 -0.004 0.000 0.303 908 R C 0.103 176.375 176.300 -0.048 0.000 1.013 908 R CA -0.195 55.847 56.100 -0.098 0.000 1.026 908 R CB 0.680 30.830 30.300 -0.250 0.000 0.948 908 R HN -0.086 nan 8.270 nan 0.000 0.417 909 V N 5.207 125.058 119.914 -0.106 0.000 2.364 909 V HA 0.006 4.123 4.120 -0.004 0.000 0.252 909 V C 0.446 176.370 176.094 -0.284 0.000 1.075 909 V CA 0.006 62.195 62.300 -0.185 0.000 1.033 909 V CB -0.375 31.328 31.823 -0.200 0.000 1.116 909 V HN 0.664 nan 8.190 nan 0.000 0.488 910 N N 5.393 123.771 118.700 -0.536 0.000 2.604 910 N HA 0.500 5.237 4.740 -0.004 0.000 0.297 910 N C -2.678 172.748 175.510 -0.140 0.000 1.266 910 N CA -1.983 50.826 53.050 -0.401 0.000 0.961 910 N CB 1.027 39.203 38.487 -0.518 0.000 1.166 910 N HN 0.187 nan 8.380 nan 0.000 0.601 911 P HA 0.123 nan 4.420 nan 0.000 0.262 911 P C 0.445 177.820 177.300 0.126 0.000 1.199 911 P CA 0.815 63.932 63.100 0.028 0.000 0.763 911 P CB 0.101 31.804 31.700 0.004 0.000 0.790 912 G N 1.734 110.583 108.800 0.082 0.000 2.175 912 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.244 912 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.244 912 G C 0.087 175.006 174.900 0.031 0.000 0.982 912 G CA -0.415 44.717 45.100 0.054 0.000 0.641 912 G HN 0.640 nan 8.290 nan 0.000 0.527 913 H N 0.923 119.933 119.070 -0.101 0.000 2.487 913 H HA 0.355 4.908 4.556 -0.004 0.000 0.333 913 H C 0.281 175.459 175.328 -0.250 0.000 1.114 913 H CA -0.649 55.293 56.048 -0.177 0.000 1.310 913 H CB 0.922 30.571 29.762 -0.187 0.000 1.462 913 H HN 0.185 nan 8.280 nan 0.000 0.516 914 Q N 1.569 121.235 119.800 -0.224 0.000 2.454 914 Q HA -0.021 4.317 4.340 -0.004 0.000 0.247 914 Q C -0.191 175.551 176.000 -0.431 0.000 1.028 914 Q CA 0.025 55.681 55.803 -0.244 0.000 0.910 914 Q CB 0.628 29.255 28.738 -0.185 0.000 1.276 914 Q HN 0.634 nan 8.270 nan 0.000 0.489 915 D N 0.248 120.486 120.400 -0.270 0.000 2.525 915 D HA -0.109 4.528 4.640 -0.004 0.000 0.235 915 D C 0.448 176.588 176.300 -0.266 0.000 1.137 915 D CA 0.403 54.251 54.000 -0.254 0.000 0.868 915 D CB 0.530 41.278 40.800 -0.087 0.000 1.180 915 D HN 0.340 nan 8.370 nan 0.000 0.465 916 H N 2.906 122.000 119.070 0.040 0.000 2.551 916 H HA 0.209 4.763 4.556 -0.004 0.000 0.271 916 H C 1.570 177.049 175.328 0.252 0.000 0.984 916 H CA 0.652 56.779 56.048 0.132 0.000 1.164 916 H CB 0.638 30.513 29.762 0.189 0.000 1.437 916 H HN 0.694 nan 8.280 nan 0.000 0.550 917 G N 1.089 110.029 108.800 0.233 0.000 2.155 917 G HA2 -0.283 3.674 3.960 -0.004 0.000 0.257 917 G HA3 -0.283 3.674 3.960 -0.004 0.000 0.257 917 G C 0.184 175.200 174.900 0.193 0.000 0.983 917 G CA 0.463 45.687 45.100 0.207 0.000 0.676 917 G HN 0.242 nan 8.290 nan 0.000 0.528 918 V N 2.713 122.735 119.914 0.181 0.000 2.385 918 V HA 0.421 4.538 4.120 -0.004 0.000 0.269 918 V C -0.954 175.188 176.094 0.080 0.000 1.043 918 V CA -1.438 60.900 62.300 0.064 0.000 0.906 918 V CB 1.202 32.976 31.823 -0.082 0.000 0.995 918 V HN 0.248 nan 8.190 nan 0.000 0.467 919 P HA 0.140 nan 4.420 nan 0.000 0.270 919 P C 0.390 177.492 177.300 -0.330 0.000 1.223 919 P CA -0.188 62.817 63.100 -0.158 0.000 0.785 919 P CB 1.063 32.635 31.700 -0.212 0.000 0.923 920 A N 1.069 123.619 122.820 -0.449 0.000 2.178 920 A HA 0.224 4.541 4.320 -0.004 0.000 0.211 920 A C 0.872 178.349 177.584 -0.178 0.000 1.157 920 A CA 1.161 52.886 52.037 -0.520 0.000 0.780 920 A CB -0.493 18.196 19.000 -0.518 0.000 0.828 920 A HN 0.741 nan 8.150 nan 0.000 0.476 921 S N -2.484 113.074 115.700 -0.237 0.000 2.636 921 S HA 0.693 5.161 4.470 -0.004 0.000 0.268 921 S C -1.155 173.299 174.600 -0.244 0.000 1.159 921 S CA -0.765 57.337 58.200 -0.165 0.000 0.815 921 S CB 0.518 63.681 63.200 -0.062 0.000 1.130 921 S HN 0.135 nan 8.310 nan 0.000 0.471 922 F N 1.540 121.534 119.950 0.073 0.000 2.482 922 F HA 0.475 5.000 4.527 -0.004 0.000 0.331 922 F C 1.391 177.217 175.800 0.042 0.000 1.115 922 F CA -0.706 57.334 58.000 0.066 0.000 0.955 922 F CB 2.121 41.169 39.000 0.081 0.000 1.136 922 F HN 0.796 nan 8.300 nan 0.000 0.452 923 E N 0.632 120.981 120.200 0.250 0.000 2.460 923 E HA 0.117 4.464 4.350 -0.004 0.000 0.200 923 E C -0.134 176.529 176.600 0.106 0.000 1.011 923 E CA 0.229 56.714 56.400 0.142 0.000 0.912 923 E CB 0.608 30.361 29.700 0.088 0.000 0.953 923 E HN 0.422 nan 8.360 nan 0.000 0.494 924 S N -0.226 115.534 115.700 0.100 0.000 2.579 924 S HA 0.479 4.947 4.470 -0.004 0.000 0.272 924 S C 0.532 175.093 174.600 -0.064 0.000 1.141 924 S CA -0.950 57.266 58.200 0.026 0.000 0.843 924 S CB 2.485 65.707 63.200 0.037 0.000 1.122 924 S HN -0.097 nan 8.310 nan 0.000 0.468 925 R N 0.948 121.391 120.500 -0.095 0.000 2.091 925 R HA -0.149 4.188 4.340 -0.004 0.000 0.238 925 R C 2.057 178.275 176.300 -0.137 0.000 1.136 925 R CA 1.938 57.936 56.100 -0.170 0.000 0.959 925 R CB -0.508 29.732 30.300 -0.100 0.000 0.856 925 R HN 0.892 nan 8.270 nan 0.000 0.437 926 E N 0.921 121.089 120.200 -0.054 0.000 2.097 926 E HA -0.281 4.067 4.350 -0.004 0.000 0.196 926 E C 2.150 178.755 176.600 0.009 0.000 1.000 926 E CA 1.464 57.857 56.400 -0.012 0.000 0.804 926 E CB 0.058 29.773 29.700 0.025 0.000 0.740 926 E HN 0.323 nan 8.360 nan 0.000 0.454 927 Q N -0.055 119.764 119.800 0.032 0.000 2.123 927 Q HA -0.159 4.179 4.340 -0.004 0.000 0.199 927 Q C 2.313 178.329 176.000 0.028 0.000 0.966 927 Q CA 0.971 56.850 55.803 0.126 0.000 0.845 927 Q CB -0.025 28.863 28.738 0.249 0.000 0.907 927 Q HN 0.307 nan 8.270 nan 0.000 0.439 928 L N 1.329 122.374 121.223 -0.297 0.000 2.017 928 L HA -0.164 4.174 4.340 -0.004 0.000 0.208 928 L C 2.262 178.927 176.870 -0.341 0.000 1.073 928 L CA 1.998 56.403 54.840 -0.724 0.000 0.745 928 L CB -0.590 40.959 42.059 -0.850 0.000 0.894 928 L HN 0.092 nan 8.230 nan 0.000 0.432 929 K N -0.430 119.835 120.400 -0.224 0.000 2.044 929 K HA -0.296 4.021 4.320 -0.004 0.000 0.210 929 K C 2.192 178.746 176.600 -0.077 0.000 1.049 929 K CA 2.117 58.312 56.287 -0.152 0.000 0.927 929 K CB -0.267 32.161 32.500 -0.120 0.000 0.713 929 K HN 0.557 nan 8.250 nan 0.000 0.443 930 E N -0.168 120.050 120.200 0.030 0.000 2.077 930 E HA -0.173 4.175 4.350 -0.004 0.000 0.193 930 E C 1.828 178.526 176.600 0.163 0.000 0.989 930 E CA 1.415 57.907 56.400 0.154 0.000 0.800 930 E CB 0.139 29.999 29.700 0.267 0.000 0.746 930 E HN 0.168 nan 8.360 nan 0.000 0.452 931 V N 1.094 121.115 119.914 0.179 0.000 2.358 931 V HA -0.243 3.875 4.120 -0.004 0.000 0.246 931 V C 2.385 178.538 176.094 0.098 0.000 1.047 931 V CA 1.403 63.827 62.300 0.206 0.000 1.035 931 V CB -0.373 31.719 31.823 0.448 0.000 0.658 931 V HN 0.331 nan 8.190 nan 0.000 0.452 932 L N -0.479 120.766 121.223 0.036 0.000 2.109 932 L HA -0.126 4.212 4.340 -0.004 0.000 0.207 932 L C 2.615 179.429 176.870 -0.093 0.000 1.086 932 L CA 1.687 56.515 54.840 -0.021 0.000 0.760 932 L CB -0.911 41.085 42.059 -0.105 0.000 0.910 932 L HN 0.342 nan 8.230 nan 0.000 0.437 933 T N -0.919 113.520 114.554 -0.191 0.000 2.708 933 T HA -0.157 4.190 4.350 -0.004 0.000 0.266 933 T C 2.150 176.625 174.700 -0.375 0.000 1.037 933 T CA 1.613 63.452 62.100 -0.435 0.000 1.146 933 T CB -0.154 68.248 68.868 -0.776 0.000 0.865 933 T HN 0.259 nan 8.240 nan 0.000 0.435 934 S N 1.467 117.110 115.700 -0.095 0.000 2.372 934 S HA -0.117 4.351 4.470 -0.004 0.000 0.227 934 S C 1.925 176.644 174.600 0.199 0.000 1.044 934 S CA 1.073 59.442 58.200 0.282 0.000 1.050 934 S CB -0.530 62.871 63.200 0.335 0.000 0.901 934 S HN 0.260 nan 8.310 nan 0.000 0.447 935 L N 1.545 122.763 121.223 -0.009 0.000 2.044 935 L HA 0.086 4.423 4.340 -0.004 0.000 0.205 935 L C 2.207 179.090 176.870 0.022 0.000 1.075 935 L CA 1.465 56.218 54.840 -0.146 0.000 0.747 935 L CB -0.745 41.181 42.059 -0.221 0.000 0.903 935 L HN 0.135 nan 8.230 nan 0.000 0.435 936 V N -0.480 119.479 119.914 0.075 0.000 2.427 936 V HA -0.284 3.834 4.120 -0.004 0.000 0.248 936 V C 2.350 178.522 176.094 0.130 0.000 1.051 936 V CA 1.997 64.335 62.300 0.062 0.000 1.048 936 V CB -0.846 30.873 31.823 -0.174 0.000 0.666 936 V HN 0.538 nan 8.190 nan 0.000 0.456 937 F N 1.317 121.279 119.950 0.020 0.000 2.171 937 F HA -0.196 4.328 4.527 -0.004 0.000 0.300 937 F C 2.335 178.281 175.800 0.243 0.000 1.090 937 F CA 2.181 60.265 58.000 0.139 0.000 1.293 937 F CB -0.387 38.728 39.000 0.191 0.000 1.013 937 F HN 0.120 nan 8.300 nan 0.000 0.486 938 T N 0.616 115.376 114.554 0.342 0.000 2.701 938 T HA -0.162 4.186 4.350 -0.004 0.000 0.263 938 T C 1.813 176.619 174.700 0.176 0.000 1.040 938 T CA 1.705 63.967 62.100 0.270 0.000 1.147 938 T CB -0.899 68.168 68.868 0.332 0.000 0.865 938 T HN 0.280 nan 8.240 nan 0.000 0.426 939 F N 1.984 122.043 119.950 0.183 0.000 2.111 939 F HA -0.252 4.273 4.527 -0.004 0.000 0.300 939 F C 2.786 178.696 175.800 0.182 0.000 1.088 939 F CA 1.362 59.455 58.000 0.156 0.000 1.243 939 F CB -0.258 38.847 39.000 0.176 0.000 0.996 939 F HN 0.282 nan 8.300 nan 0.000 0.483 940 S N -1.468 114.440 115.700 0.346 0.000 2.650 940 S HA -0.079 4.389 4.470 -0.004 0.000 0.182 940 S C 1.964 176.667 174.600 0.172 0.000 0.832 940 S CA 0.545 58.922 58.200 0.295 0.000 0.860 940 S CB -0.832 62.541 63.200 0.289 0.000 0.818 940 S HN 0.309 nan 8.310 nan 0.000 0.600 941 C N 1.904 121.146 119.300 -0.097 0.000 2.413 941 C HA -0.005 4.453 4.460 -0.004 0.000 0.276 941 C C 3.055 177.941 174.990 -0.173 0.000 1.236 941 C CA 1.418 60.278 59.018 -0.263 0.000 1.735 941 C CB -1.451 25.782 27.740 -0.845 0.000 2.031 941 C HN 0.798 nan 8.230 nan 0.000 0.474 942 Q N 0.355 119.999 119.800 -0.260 0.000 2.046 942 Q HA -0.174 4.164 4.340 -0.004 0.000 0.200 942 Q C 2.222 178.335 176.000 0.187 0.000 0.975 942 Q CA 1.833 57.701 55.803 0.109 0.000 0.836 942 Q CB -0.793 28.102 28.738 0.260 0.000 0.896 942 Q HN 0.807 nan 8.270 nan 0.000 0.428 943 H N -0.556 118.587 119.070 0.122 0.000 2.352 943 H HA -0.124 4.429 4.556 -0.004 0.000 0.299 943 H C 1.593 176.987 175.328 0.109 0.000 1.097 943 H CA 1.651 57.770 56.048 0.119 0.000 1.311 943 H CB 0.037 29.870 29.762 0.119 0.000 1.377 943 H HN 0.396 nan 8.280 nan 0.000 0.504 944 A N 1.374 124.307 122.820 0.188 0.000 1.865 944 A HA -0.127 4.190 4.320 -0.004 0.000 0.217 944 A C 2.750 180.437 177.584 0.172 0.000 1.191 944 A CA 2.035 54.281 52.037 0.349 0.000 0.623 944 A CB -1.244 18.052 19.000 0.493 0.000 0.826 944 A HN 0.588 nan 8.150 nan 0.000 0.444 945 A N -0.378 122.559 122.820 0.196 0.000 1.978 945 A HA -0.014 4.304 4.320 -0.004 0.000 0.220 945 A C 2.100 179.678 177.584 -0.010 0.000 1.170 945 A CA 2.216 54.389 52.037 0.226 0.000 0.636 945 A CB -0.940 18.341 19.000 0.468 0.000 0.810 945 A HN 1.296 nan 8.150 nan 0.000 0.448 946 V N -3.039 116.830 119.914 -0.075 0.000 3.621 946 V HA 0.174 4.292 4.120 -0.004 0.000 0.285 946 V C 1.160 177.075 176.094 -0.300 0.000 1.346 946 V CA 1.069 63.308 62.300 -0.103 0.000 1.104 946 V CB -0.433 31.424 31.823 0.056 0.000 0.913 946 V HN 0.629 nan 8.190 nan 0.000 0.432 947 N N 0.427 118.773 118.700 -0.589 0.000 2.684 947 N HA 0.138 4.876 4.740 -0.004 0.000 0.220 947 N C 1.420 176.476 175.510 -0.757 0.000 1.037 947 N CA 0.588 53.076 53.050 -0.936 0.000 0.975 947 N CB 0.181 37.740 38.487 -1.547 0.000 1.426 947 N HN 0.481 nan 8.380 nan 0.000 0.450 948 F N 2.075 121.795 119.950 -0.384 0.000 2.748 948 F HA 0.083 4.609 4.527 -0.002 0.000 0.299 948 F C 2.339 177.835 175.800 -0.506 0.000 1.154 948 F CA 0.423 58.223 58.000 -0.332 0.000 1.446 948 F CB 0.141 39.053 39.000 -0.146 0.000 1.112 948 F HN 0.127 nan 8.300 nan 0.000 0.584 949 S N -0.837 114.434 115.700 -0.716 0.000 2.561 949 S HA -0.121 4.347 4.470 -0.004 0.000 0.225 949 S C 1.588 175.892 174.600 -0.493 0.000 0.977 949 S CA 0.311 57.813 58.200 -1.164 0.000 0.926 949 S CB -0.346 62.206 63.200 -1.081 0.000 0.769 949 S HN 0.488 nan 8.310 nan 0.000 0.533 950 Q N 0.842 120.458 119.800 -0.307 0.000 2.311 950 Q HA 0.040 4.377 4.340 -0.004 0.000 0.203 950 Q C 2.168 178.181 176.000 0.022 0.000 0.954 950 Q CA 0.640 56.380 55.803 -0.105 0.000 0.885 950 Q CB -0.071 28.678 28.738 0.017 0.000 0.963 950 Q HN 0.461 nan 8.270 nan 0.000 0.471 951 K N 1.390 121.786 120.400 -0.008 0.000 2.031 951 K HA -0.164 4.153 4.320 -0.004 0.000 0.205 951 K C 1.010 177.626 176.600 0.027 0.000 1.049 951 K CA 1.439 57.749 56.287 0.038 0.000 0.939 951 K CB 0.052 32.589 32.500 0.062 0.000 0.717 951 K HN 0.125 nan 8.250 nan 0.000 0.438 952 D N -0.506 119.917 120.400 0.038 0.000 2.219 952 D HA -0.138 4.499 4.640 -0.004 0.000 0.205 952 D C 1.927 178.237 176.300 0.017 0.000 0.970 952 D CA 1.033 55.063 54.000 0.050 0.000 0.851 952 D CB -0.088 40.806 40.800 0.157 0.000 0.943 952 D HN 0.489 nan 8.370 nan 0.000 0.488 953 H N -1.143 117.833 119.070 -0.156 0.000 2.355 953 H HA -0.011 4.542 4.556 -0.005 0.000 0.303 953 H C 1.207 176.344 175.328 -0.317 0.000 1.061 953 H CA 1.351 57.208 56.048 -0.318 0.000 1.368 953 H CB 0.109 29.507 29.762 -0.605 0.000 1.412 953 H HN 0.095 nan 8.280 nan 0.000 0.523 954 Y N -1.012 119.321 120.300 0.056 0.000 2.458 954 Y HA 0.212 4.759 4.550 -0.004 0.000 0.254 954 Y C 2.472 178.343 175.900 -0.049 0.000 1.120 954 Y CA 0.003 58.095 58.100 -0.014 0.000 1.282 954 Y CB 0.509 38.973 38.460 0.008 0.000 1.109 954 Y HN 0.325 nan 8.280 nan 0.000 0.526 955 G N 1.025 109.885 108.800 0.101 0.000 2.476 955 G HA2 -0.320 3.638 3.960 -0.004 0.000 0.218 955 G HA3 -0.320 3.638 3.960 -0.004 0.000 0.218 955 G C 0.264 175.268 174.900 0.174 0.000 1.164 955 G CA 0.441 45.576 45.100 0.058 0.000 0.768 955 G HN 0.267 nan 8.290 nan 0.000 0.560 956 F N 2.248 122.169 119.950 -0.049 0.000 2.368 956 F HA 0.436 4.961 4.527 -0.004 0.000 0.362 956 F C 1.583 177.272 175.800 -0.185 0.000 1.137 956 F CA -0.674 57.299 58.000 -0.044 0.000 1.161 956 F CB 0.683 39.612 39.000 -0.117 0.000 1.265 956 F HN -0.050 nan 8.300 nan 0.000 0.530 957 T N 6.252 120.496 114.554 -0.515 0.000 2.699 957 T HA -0.135 4.213 4.350 -0.004 0.000 0.268 957 T C -0.868 173.296 174.700 -0.893 0.000 1.036 957 T CA 1.919 63.671 62.100 -0.580 0.000 1.147 957 T CB -0.785 67.833 68.868 -0.418 0.000 0.862 957 T HN 0.422 nan 8.240 nan 0.000 0.446 958 P HA -0.025 nan 4.420 nan 0.000 0.225 958 P C 1.306 178.235 177.300 -0.619 0.000 1.148 958 P CA 0.630 62.950 63.100 -1.301 0.000 0.779 958 P CB -0.208 30.354 31.700 -1.897 0.000 0.780 959 N N 0.035 118.448 118.700 -0.478 0.000 2.289 959 N HA -0.104 4.634 4.740 -0.004 0.000 0.184 959 N C 0.077 175.548 175.510 -0.064 0.000 1.016 959 N CA 1.009 54.065 53.050 0.009 0.000 0.872 959 N CB 0.103 38.641 38.487 0.085 0.000 0.973 959 N HN -0.062 nan 8.380 nan 0.000 0.433 960 A N 1.131 123.865 122.820 -0.142 0.000 3.200 960 A HA 0.310 4.628 4.320 -0.004 0.000 0.274 960 A C -2.754 174.858 177.584 0.046 0.000 1.220 960 A CA -0.918 51.087 52.037 -0.053 0.000 0.904 960 A CB 0.720 19.557 19.000 -0.271 0.000 1.415 960 A HN 0.070 nan 8.150 nan 0.000 0.630 961 P HA 0.350 nan 4.420 nan 0.000 0.271 961 P C 0.588 177.847 177.300 -0.069 0.000 1.216 961 P CA 0.377 63.383 63.100 -0.156 0.000 0.776 961 P CB 1.690 33.210 31.700 -0.300 0.000 0.881 962 A N 3.267 126.021 122.820 -0.110 0.000 2.419 962 A HA 0.349 4.666 4.320 -0.004 0.000 0.233 962 A C 0.693 178.204 177.584 -0.122 0.000 1.217 962 A CA 0.137 52.118 52.037 -0.094 0.000 0.944 962 A CB 0.008 18.912 19.000 -0.160 0.000 1.025 962 A HN 0.496 nan 8.150 nan 0.000 0.524 963 I N 0.610 121.087 120.570 -0.155 0.000 2.647 963 I HA 0.454 4.621 4.170 -0.004 0.000 0.295 963 I C -1.175 174.826 176.117 -0.193 0.000 1.078 963 I CA -0.641 60.567 61.300 -0.155 0.000 1.048 963 I CB 2.278 40.176 38.000 -0.170 0.000 1.239 963 I HN 0.030 nan 8.210 nan 0.000 0.421 964 L N 5.181 126.300 121.223 -0.174 0.000 2.354 964 L HA 0.575 4.912 4.340 -0.004 0.000 0.264 964 L C 0.518 177.353 176.870 -0.058 0.000 1.008 964 L CA -0.719 53.978 54.840 -0.239 0.000 0.819 964 L CB 2.400 44.124 42.059 -0.559 0.000 1.339 964 L HN 0.587 nan 8.230 nan 0.000 0.420 965 R N -0.837 119.608 120.500 -0.092 0.000 2.373 965 R HA 0.261 4.599 4.340 -0.004 0.000 0.221 965 R C -0.203 175.957 176.300 -0.234 0.000 0.893 965 R CA -0.115 55.905 56.100 -0.134 0.000 1.049 965 R CB 0.622 30.755 30.300 -0.278 0.000 1.119 965 R HN 0.500 nan 8.270 nan 0.000 0.535 966 H N 0.011 119.119 119.070 0.064 0.000 2.855 966 H HA 0.376 4.930 4.556 -0.004 0.000 0.363 966 H C -2.469 172.550 175.328 -0.515 0.000 1.185 966 H CA -2.280 53.673 56.048 -0.158 0.000 1.174 966 H CB 1.980 31.713 29.762 -0.049 0.000 1.857 966 H HN -0.162 nan 8.280 nan 0.000 0.565 967 P HA 0.160 nan 4.420 nan 0.000 0.278 967 P C -2.539 174.710 177.300 -0.084 0.000 1.258 967 P CA -1.510 61.189 63.100 -0.668 0.000 0.811 967 P CB 0.175 31.490 31.700 -0.641 0.000 1.063 968 P HA 0.168 nan 4.420 nan 0.000 0.271 968 P C -2.265 174.961 177.300 -0.123 0.000 1.233 968 P CA -1.010 61.799 63.100 -0.485 0.000 0.789 968 P CB -1.265 29.893 31.700 -0.904 0.000 0.951 969 P HA 0.273 nan 4.420 nan 0.000 0.276 969 P C -0.127 177.241 177.300 0.114 0.000 1.244 969 P CA -0.276 62.873 63.100 0.081 0.000 0.801 969 P CB 1.001 32.797 31.700 0.160 0.000 1.006 970 K N 0.557 121.022 120.400 0.109 0.000 2.440 970 K HA 0.149 4.466 4.320 -0.004 0.000 0.206 970 K C 0.525 177.186 176.600 0.103 0.000 1.025 970 K CA -0.078 56.265 56.287 0.094 0.000 1.135 970 K CB 0.159 32.694 32.500 0.058 0.000 0.856 970 K HN 0.484 nan 8.250 nan 0.000 0.502 971 K N -0.552 119.945 120.400 0.162 0.000 2.711 971 K HA 0.240 4.558 4.320 -0.004 0.000 0.294 971 K C -1.565 175.180 176.600 0.242 0.000 1.037 971 K CA -0.972 55.392 56.287 0.128 0.000 0.858 971 K CB 0.977 33.527 32.500 0.083 0.000 1.521 971 K HN -0.248 nan 8.250 nan 0.000 0.386 972 K N -0.189 120.305 120.400 0.157 0.000 2.118 972 K HA 0.456 4.774 4.320 -0.004 0.000 0.264 972 K C 0.578 177.317 176.600 0.232 0.000 1.000 972 K CA 0.226 56.676 56.287 0.272 0.000 0.929 972 K CB 1.241 33.789 32.500 0.081 0.000 1.021 972 K HN 0.984 nan 8.250 nan 0.000 0.463 973 G N 1.417 110.382 108.800 0.275 0.000 2.201 973 G HA2 -0.235 3.723 3.960 -0.004 0.000 0.212 973 G HA3 -0.235 3.723 3.960 -0.004 0.000 0.212 973 G C 0.614 175.614 174.900 0.165 0.000 0.994 973 G CA 0.035 45.249 45.100 0.191 0.000 0.644 973 G HN 0.687 nan 8.290 nan 0.000 0.508 974 E N 0.487 120.788 120.200 0.168 0.000 2.230 974 E HA 0.444 4.791 4.350 -0.004 0.000 0.192 974 E C 1.672 178.338 176.600 0.109 0.000 0.987 974 E CA 0.438 56.910 56.400 0.120 0.000 0.841 974 E CB 0.181 29.943 29.700 0.103 0.000 0.783 974 E HN 0.772 nan 8.360 nan 0.000 0.481 975 A N 1.971 124.876 122.820 0.141 0.000 2.477 975 A HA 0.261 4.578 4.320 -0.004 0.000 0.246 975 A C 0.484 178.128 177.584 0.100 0.000 1.078 975 A CA 0.123 52.236 52.037 0.126 0.000 0.770 975 A CB 0.014 19.114 19.000 0.165 0.000 1.011 975 A HN 0.182 nan 8.150 nan 0.000 0.494 976 T N -0.097 114.433 114.554 -0.041 0.000 2.864 976 T HA 0.465 4.812 4.350 -0.004 0.000 0.289 976 T C 0.811 175.275 174.700 -0.394 0.000 1.082 976 T CA -0.317 61.618 62.100 -0.274 0.000 1.009 976 T CB 0.661 69.448 68.868 -0.135 0.000 1.234 976 T HN 0.607 nan 8.240 nan 0.000 0.526 977 L N 0.652 121.531 121.223 -0.573 0.000 2.046 977 L HA -0.003 4.335 4.340 -0.004 0.000 0.208 977 L C 2.857 179.622 176.870 -0.175 0.000 1.077 977 L CA 2.106 56.747 54.840 -0.333 0.000 0.747 977 L CB -0.920 40.971 42.059 -0.282 0.000 0.896 977 L HN 0.939 nan 8.230 nan 0.000 0.432 978 Q N -0.882 118.836 119.800 -0.137 0.000 2.084 978 Q HA -0.216 4.122 4.340 -0.004 0.000 0.202 978 Q C 2.223 178.199 176.000 -0.039 0.000 0.978 978 Q CA 2.305 58.066 55.803 -0.069 0.000 0.844 978 Q CB -0.160 28.548 28.738 -0.050 0.000 0.898 978 Q HN 0.751 nan 8.270 nan 0.000 0.426 979 S N -0.083 115.591 115.700 -0.044 0.000 2.383 979 S HA -0.113 4.354 4.470 -0.004 0.000 0.227 979 S C 1.951 176.564 174.600 0.022 0.000 1.026 979 S CA 0.943 59.130 58.200 -0.022 0.000 0.981 979 S CB -0.533 62.652 63.200 -0.024 0.000 0.818 979 S HN 0.458 nan 8.310 nan 0.000 0.472 980 I N 1.422 122.012 120.570 0.033 0.000 2.163 980 I HA -0.159 4.008 4.170 -0.004 0.000 0.243 980 I C 2.381 178.526 176.117 0.047 0.000 1.085 980 I CA 1.330 62.688 61.300 0.097 0.000 1.347 980 I CB -0.384 37.760 38.000 0.239 0.000 1.044 980 I HN 0.288 nan 8.210 nan 0.000 0.408 981 L N -0.275 120.961 121.223 0.022 0.000 2.201 981 L HA -0.162 4.175 4.340 -0.004 0.000 0.212 981 L C 2.439 179.352 176.870 0.072 0.000 1.105 981 L CA 0.939 55.809 54.840 0.049 0.000 0.775 981 L CB -0.359 41.721 42.059 0.036 0.000 0.913 981 L HN 0.150 nan 8.230 nan 0.000 0.440 982 S N -1.471 114.276 115.700 0.078 0.000 2.470 982 S HA -0.073 4.394 4.470 -0.004 0.000 0.225 982 S C 1.912 176.624 174.600 0.187 0.000 1.006 982 S CA 1.131 59.414 58.200 0.138 0.000 0.934 982 S CB 0.042 63.342 63.200 0.166 0.000 0.778 982 S HN 0.432 nan 8.310 nan 0.000 0.517 983 T N 2.083 116.721 114.554 0.139 0.000 2.976 983 T HA 0.243 4.591 4.350 -0.004 0.000 0.257 983 T C 0.814 175.430 174.700 -0.141 0.000 1.051 983 T CA 0.231 62.363 62.100 0.054 0.000 1.141 983 T CB -0.112 68.772 68.868 0.028 0.000 0.881 983 T HN 0.206 nan 8.240 nan 0.000 0.461 984 L N 2.115 123.231 121.223 -0.179 0.000 2.479 984 L HA 0.159 4.497 4.340 -0.004 0.000 0.270 984 L C -2.074 174.707 176.870 -0.148 0.000 1.236 984 L CA -1.901 52.769 54.840 -0.283 0.000 0.823 984 L CB -0.138 41.715 42.059 -0.344 0.000 1.098 984 L HN -0.027 nan 8.230 nan 0.000 0.500 985 P HA -0.033 nan 4.420 nan 0.000 0.265 985 P C -0.561 176.744 177.300 0.007 0.000 1.187 985 P CA -0.119 62.926 63.100 -0.091 0.000 0.766 985 P CB 0.395 32.036 31.700 -0.099 0.000 0.820 986 S N 2.575 118.221 115.700 -0.090 0.000 2.587 986 S HA 0.022 4.489 4.470 -0.004 0.000 0.260 986 S C 1.380 175.822 174.600 -0.263 0.000 1.353 986 S CA 0.010 58.104 58.200 -0.176 0.000 0.995 986 S CB 0.381 63.461 63.200 -0.199 0.000 0.912 986 S HN 0.487 nan 8.310 nan 0.000 0.568 987 K N 0.782 120.828 120.400 -0.590 0.000 2.103 987 K HA -0.149 4.168 4.320 -0.004 0.000 0.207 987 K C 1.990 178.382 176.600 -0.346 0.000 1.048 987 K CA 1.826 57.698 56.287 -0.692 0.000 0.930 987 K CB -0.716 30.955 32.500 -1.382 0.000 0.716 987 K HN 0.658 nan 8.250 nan 0.000 0.444 988 S N 0.747 116.276 115.700 -0.285 0.000 2.425 988 S HA -0.074 4.394 4.470 -0.004 0.000 0.225 988 S C 2.080 176.591 174.600 -0.148 0.000 1.024 988 S CA 0.315 58.403 58.200 -0.187 0.000 0.951 988 S CB -0.200 62.896 63.200 -0.174 0.000 0.796 988 S HN 0.355 nan 8.310 nan 0.000 0.498 989 Q N 1.568 121.273 119.800 -0.159 0.000 2.096 989 Q HA -0.065 4.272 4.340 -0.004 0.000 0.204 989 Q C 2.547 178.476 176.000 -0.119 0.000 0.982 989 Q CA 1.673 57.386 55.803 -0.149 0.000 0.850 989 Q CB -0.563 28.079 28.738 -0.159 0.000 0.901 989 Q HN 0.759 nan 8.270 nan 0.000 0.422 990 A N 0.897 123.675 122.820 -0.070 0.000 1.897 990 A HA -0.044 4.274 4.320 -0.004 0.000 0.215 990 A C 2.294 179.853 177.584 -0.042 0.000 1.181 990 A CA 1.396 53.425 52.037 -0.014 0.000 0.620 990 A CB -0.737 18.376 19.000 0.187 0.000 0.821 990 A HN 0.391 nan 8.150 nan 0.000 0.443 991 A N 0.325 123.122 122.820 -0.039 0.000 1.877 991 A HA -0.173 4.144 4.320 -0.004 0.000 0.216 991 A C 2.092 179.634 177.584 -0.071 0.000 1.186 991 A CA 1.782 53.803 52.037 -0.027 0.000 0.620 991 A CB -0.455 18.559 19.000 0.024 0.000 0.822 991 A HN 0.552 nan 8.150 nan 0.000 0.443 992 K N -0.144 120.210 120.400 -0.077 0.000 2.097 992 K HA -0.015 4.302 4.320 -0.004 0.000 0.205 992 K C 2.257 178.776 176.600 -0.135 0.000 1.050 992 K CA 1.005 57.241 56.287 -0.086 0.000 0.938 992 K CB -0.353 32.092 32.500 -0.091 0.000 0.718 992 K HN 0.426 nan 8.250 nan 0.000 0.442 993 A N 1.812 124.536 122.820 -0.160 0.000 1.908 993 A HA -0.152 4.165 4.320 -0.004 0.000 0.218 993 A C 2.153 179.608 177.584 -0.216 0.000 1.181 993 A CA 1.314 53.230 52.037 -0.201 0.000 0.627 993 A CB -0.588 18.280 19.000 -0.220 0.000 0.818 993 A HN 0.178 nan 8.150 nan 0.000 0.445 994 I N -0.364 120.053 120.570 -0.255 0.000 2.315 994 I HA -0.243 3.925 4.170 -0.004 0.000 0.248 994 I C 2.936 178.715 176.117 -0.562 0.000 1.117 994 I CA 0.920 61.981 61.300 -0.399 0.000 1.404 994 I CB -0.288 37.386 38.000 -0.544 0.000 1.071 994 I HN 0.350 nan 8.210 nan 0.000 0.419 995 A N 0.391 122.893 122.820 -0.530 0.000 1.902 995 A HA -0.208 4.110 4.320 -0.004 0.000 0.217 995 A C 2.391 179.968 177.584 -0.013 0.000 1.181 995 A CA 2.465 54.331 52.037 -0.285 0.000 0.623 995 A CB -1.099 17.946 19.000 0.075 0.000 0.818 995 A HN 0.376 nan 8.150 nan 0.000 0.443 996 T N -0.333 114.186 114.554 -0.059 0.000 2.708 996 T HA -0.124 4.223 4.350 -0.004 0.000 0.266 996 T C 1.880 176.574 174.700 -0.010 0.000 1.037 996 T CA 1.607 63.694 62.100 -0.022 0.000 1.146 996 T CB -0.465 68.357 68.868 -0.077 0.000 0.865 996 T HN 0.152 nan 8.240 nan 0.000 0.435 997 V N 0.629 120.511 119.914 -0.053 0.000 2.343 997 V HA -0.185 3.933 4.120 -0.004 0.000 0.247 997 V C 2.025 178.131 176.094 0.021 0.000 1.051 997 V CA 1.689 63.978 62.300 -0.018 0.000 1.036 997 V CB -0.756 31.065 31.823 -0.004 0.000 0.654 997 V HN 0.517 nan 8.190 nan 0.000 0.451 998 Y N 0.741 120.999 120.300 -0.070 0.000 2.081 998 Y HA -0.282 4.264 4.550 -0.005 0.000 0.280 998 Y C 2.223 178.183 175.900 0.099 0.000 1.163 998 Y CA 1.991 60.119 58.100 0.046 0.000 1.135 998 Y CB -0.327 38.218 38.460 0.141 0.000 0.970 998 Y HN 0.206 nan 8.280 nan 0.000 0.498 999 I N -0.077 120.513 120.570 0.034 0.000 2.179 999 I HA -0.338 3.830 4.170 -0.004 0.000 0.242 999 I C 2.198 178.322 176.117 0.012 0.000 1.088 999 I CA 1.505 62.810 61.300 0.008 0.000 1.357 999 I CB -0.438 37.647 38.000 0.141 0.000 1.051 999 I HN 0.235 nan 8.210 nan 0.000 0.409 1000 L N 0.080 121.313 121.223 0.017 0.000 2.478 1000 L HA -0.060 4.277 4.340 -0.004 0.000 0.223 1000 L C 1.932 178.745 176.870 -0.096 0.000 1.140 1000 L CA 1.183 56.034 54.840 0.017 0.000 0.842 1000 L CB -0.678 41.402 42.059 0.034 0.000 0.953 1000 L HN 0.447 nan 8.230 nan 0.000 0.452 1001 T N -4.772 109.716 114.554 -0.110 0.000 3.040 1001 T HA 0.055 4.403 4.350 -0.004 0.000 0.266 1001 T C 0.622 175.264 174.700 -0.097 0.000 1.005 1001 T CA -0.425 61.621 62.100 -0.091 0.000 0.906 1001 T CB 0.103 68.938 68.868 -0.054 0.000 1.082 1001 T HN -0.011 nan 8.240 nan 0.000 0.531 1002 K N 1.801 122.119 120.400 -0.137 0.000 2.315 1002 K HA 0.321 4.638 4.320 -0.004 0.000 0.291 1002 K C -0.883 175.721 176.600 0.006 0.000 1.074 1002 K CA -0.713 55.495 56.287 -0.132 0.000 0.936 1002 K CB -0.249 32.122 32.500 -0.214 0.000 1.049 1002 K HN 0.266 nan 8.250 nan 0.000 0.471 1003 F N 2.384 122.412 119.950 0.131 0.000 2.572 1003 F HA -0.049 4.477 4.527 -0.003 0.000 0.370 1003 F C 1.383 177.218 175.800 0.058 0.000 1.103 1003 F CA 0.094 58.149 58.000 0.091 0.000 1.286 1003 F CB 0.909 39.947 39.000 0.062 0.000 1.105 1003 F HN 0.471 nan 8.300 nan 0.000 0.583 1004 S N 2.385 118.220 115.700 0.224 0.000 2.617 1004 S HA 0.331 4.798 4.470 -0.004 0.000 0.269 1004 S C 1.160 175.822 174.600 0.104 0.000 1.292 1004 S CA -0.013 58.251 58.200 0.106 0.000 1.010 1004 S CB 1.482 64.692 63.200 0.016 0.000 0.944 1004 S HN 0.746 nan 8.310 nan 0.000 0.536 1005 E N 1.318 121.561 120.200 0.072 0.000 2.268 1005 E HA -0.107 4.240 4.350 -0.004 0.000 0.195 1005 E C 1.008 177.631 176.600 0.038 0.000 0.995 1005 E CA 1.432 57.868 56.400 0.061 0.000 0.836 1005 E CB -0.673 29.057 29.700 0.049 0.000 0.763 1005 E HN 0.865 nan 8.360 nan 0.000 0.491 1006 D N -0.585 119.827 120.400 0.020 0.000 2.368 1006 D HA 0.095 4.733 4.640 -0.004 0.000 0.218 1006 D C 0.248 176.523 176.300 -0.041 0.000 1.112 1006 D CA -0.179 53.818 54.000 -0.005 0.000 0.834 1006 D CB -0.021 40.776 40.800 -0.006 0.000 0.953 1006 D HN 0.247 nan 8.370 nan 0.000 0.505 1007 E N 1.340 121.499 120.200 -0.068 0.000 2.442 1007 E HA 0.087 4.435 4.350 -0.004 0.000 0.262 1007 E C -0.359 176.012 176.600 -0.382 0.000 1.004 1007 E CA 0.209 56.465 56.400 -0.241 0.000 0.928 1007 E CB 0.529 30.010 29.700 -0.364 0.000 0.937 1007 E HN 0.099 nan 8.360 nan 0.000 0.446 1008 R N 3.558 123.821 120.500 -0.395 0.000 2.387 1008 R HA 0.312 4.650 4.340 -0.004 0.000 0.314 1008 R C -0.753 175.278 176.300 -0.449 0.000 0.958 1008 R CA -0.645 55.268 56.100 -0.312 0.000 0.846 1008 R CB 0.998 31.222 30.300 -0.126 0.000 1.147 1008 R HN 0.534 nan 8.270 nan 0.000 0.447 1009 Y N 1.004 121.263 120.300 -0.068 0.000 2.545 1009 Y HA 0.250 4.797 4.550 -0.004 0.000 0.324 1009 Y C 0.429 176.275 175.900 -0.090 0.000 1.220 1009 Y CA -1.085 56.967 58.100 -0.079 0.000 1.290 1009 Y CB 0.581 38.949 38.460 -0.153 0.000 1.355 1009 Y HN 0.351 nan 8.280 nan 0.000 0.516 1010 L N 1.938 123.224 121.223 0.105 0.000 2.584 1010 L HA 0.285 4.622 4.340 -0.004 0.000 0.272 1010 L C 0.978 177.720 176.870 -0.213 0.000 1.195 1010 L CA 1.568 56.428 54.840 0.033 0.000 0.920 1010 L CB -0.466 41.634 42.059 0.068 0.000 1.173 1010 L HN 0.883 nan 8.230 nan 0.000 0.489 1011 G N 3.048 111.629 108.800 -0.366 0.000 2.217 1011 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.246 1011 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.246 1011 G C 0.427 174.777 174.900 -0.917 0.000 0.990 1011 G CA 0.183 44.757 45.100 -0.877 0.000 0.627 1011 G HN 0.887 nan 8.290 nan 0.000 0.522 1012 N N 0.576 118.997 118.700 -0.465 0.000 2.421 1012 N HA 0.320 5.058 4.740 -0.004 0.000 0.260 1012 N C -0.002 175.464 175.510 -0.073 0.000 1.173 1012 N CA -0.370 52.545 53.050 -0.225 0.000 0.960 1012 N CB -0.211 38.220 38.487 -0.093 0.000 1.273 1012 N HN 0.209 nan 8.380 nan 0.000 0.497 1013 Y N 0.949 121.233 120.300 -0.027 0.000 2.683 1013 Y HA 0.115 4.663 4.550 -0.003 0.000 0.297 1013 Y C 1.991 177.864 175.900 -0.045 0.000 1.147 1013 Y CA -0.721 57.369 58.100 -0.016 0.000 1.274 1013 Y CB -0.733 37.766 38.460 0.065 0.000 1.143 1013 Y HN 0.563 nan 8.280 nan 0.000 0.527 1014 S N -0.672 115.078 115.700 0.083 0.000 2.442 1014 S HA -0.043 4.425 4.470 -0.004 0.000 0.236 1014 S C 1.538 176.125 174.600 -0.022 0.000 1.007 1014 S CA 0.760 58.984 58.200 0.040 0.000 0.965 1014 S CB -0.073 63.148 63.200 0.037 0.000 0.773 1014 S HN 0.285 nan 8.310 nan 0.000 0.504 1015 A N 1.785 124.545 122.820 -0.101 0.000 3.003 1015 A HA 0.536 4.853 4.320 -0.004 0.000 0.301 1015 A C 0.634 177.788 177.584 -0.716 0.000 1.280 1015 A CA -0.206 51.658 52.037 -0.289 0.000 0.973 1015 A CB -0.462 18.512 19.000 -0.043 0.000 1.110 1015 A HN 0.571 nan 8.150 nan 0.000 0.590 1016 T N -4.253 109.863 114.554 -0.730 0.000 2.950 1016 T HA 0.651 4.998 4.350 -0.004 0.000 0.288 1016 T C 0.506 174.723 174.700 -0.805 0.000 1.035 1016 T CA -0.034 61.674 62.100 -0.653 0.000 1.028 1016 T CB 1.901 70.630 68.868 -0.232 0.000 1.109 1016 T HN 0.588 nan 8.240 nan 0.000 0.514 1017 A N 0.185 122.665 122.820 -0.567 0.000 2.507 1017 A HA 0.374 4.691 4.320 -0.004 0.000 0.270 1017 A C -0.136 177.335 177.584 -0.189 0.000 1.318 1017 A CA -1.045 50.843 52.037 -0.248 0.000 0.924 1017 A CB -0.761 18.163 19.000 -0.127 0.000 1.061 1017 A HN 0.786 nan 8.150 nan 0.000 0.516 1018 W N 0.316 121.587 121.300 -0.050 0.000 2.190 1018 W HA 0.345 5.002 4.660 -0.005 0.000 0.330 1018 W C 0.914 177.463 176.519 0.049 0.000 1.299 1018 W CA -0.321 57.030 57.345 0.010 0.000 1.215 1018 W CB 0.729 30.201 29.460 0.021 0.000 1.147 1018 W HN 0.275 nan 8.180 nan 0.000 0.563 1019 E N 0.597 120.990 120.200 0.321 0.000 2.441 1019 E HA -0.065 4.282 4.350 -0.004 0.000 0.212 1019 E C -0.017 176.696 176.600 0.188 0.000 0.840 1019 E CA 0.108 56.632 56.400 0.206 0.000 1.143 1019 E CB -0.069 29.705 29.700 0.123 0.000 1.153 1019 E HN 0.483 nan 8.360 nan 0.000 0.539 1020 D N 2.062 122.618 120.400 0.260 0.000 2.458 1020 D HA -0.049 4.589 4.640 -0.004 0.000 0.243 1020 D C 0.972 177.319 176.300 0.079 0.000 1.146 1020 D CA 0.182 54.277 54.000 0.158 0.000 0.877 1020 D CB 1.018 41.948 40.800 0.217 0.000 1.176 1020 D HN -0.220 nan 8.370 nan 0.000 0.461 1021 K N 3.257 123.667 120.400 0.018 0.000 2.097 1021 K HA -0.118 4.200 4.320 -0.004 0.000 0.206 1021 K C 1.256 177.837 176.600 -0.033 0.000 1.049 1021 K CA 1.010 57.296 56.287 -0.003 0.000 0.933 1021 K CB -0.038 32.453 32.500 -0.016 0.000 0.717 1021 K HN 0.545 nan 8.250 nan 0.000 0.442 1022 D N 0.933 121.290 120.400 -0.072 0.000 2.144 1022 D HA -0.088 4.550 4.640 -0.004 0.000 0.200 1022 D C 1.858 178.086 176.300 -0.120 0.000 0.978 1022 D CA 1.143 55.080 54.000 -0.104 0.000 0.833 1022 D CB -0.042 40.663 40.800 -0.159 0.000 0.961 1022 D HN 0.133 nan 8.370 nan 0.000 0.470 1023 A N 1.174 123.914 122.820 -0.134 0.000 1.902 1023 A HA -0.127 4.190 4.320 -0.004 0.000 0.217 1023 A C 2.420 179.880 177.584 -0.207 0.000 1.181 1023 A CA 0.916 52.809 52.037 -0.241 0.000 0.623 1023 A CB -0.786 18.050 19.000 -0.273 0.000 0.818 1023 A HN 0.191 nan 8.150 nan 0.000 0.443 1024 L N -0.589 120.584 121.223 -0.083 0.000 2.083 1024 L HA -0.174 4.164 4.340 -0.004 0.000 0.209 1024 L C 1.991 178.860 176.870 -0.001 0.000 1.083 1024 L CA 1.321 56.148 54.840 -0.023 0.000 0.752 1024 L CB -0.792 41.285 42.059 0.030 0.000 0.899 1024 L HN 0.281 nan 8.230 nan 0.000 0.433 1025 D N 0.566 120.959 120.400 -0.011 0.000 2.144 1025 D HA -0.141 4.497 4.640 -0.004 0.000 0.199 1025 D C 2.271 178.591 176.300 0.034 0.000 0.984 1025 D CA 1.531 55.533 54.000 0.004 0.000 0.834 1025 D CB 0.047 40.839 40.800 -0.013 0.000 0.955 1025 D HN 0.306 nan 8.370 nan 0.000 0.465 1026 A N 0.634 123.473 122.820 0.032 0.000 1.933 1026 A HA -0.123 4.194 4.320 -0.004 0.000 0.218 1026 A C 2.365 180.132 177.584 0.304 0.000 1.175 1026 A CA 0.791 52.905 52.037 0.128 0.000 0.628 1026 A CB -0.614 18.395 19.000 0.014 0.000 0.814 1026 A HN 0.186 nan 8.150 nan 0.000 0.444 1027 I N -0.040 120.668 120.570 0.230 0.000 2.252 1027 I HA -0.247 3.921 4.170 -0.004 0.000 0.245 1027 I C 2.165 178.335 176.117 0.087 0.000 1.102 1027 I CA 1.016 62.423 61.300 0.178 0.000 1.385 1027 I CB -0.444 37.640 38.000 0.139 0.000 1.064 1027 I HN 0.295 nan 8.210 nan 0.000 0.414 1028 N N 1.163 119.899 118.700 0.061 0.000 2.036 1028 N HA -0.205 4.533 4.740 -0.004 0.000 0.195 1028 N C 1.898 177.425 175.510 0.029 0.000 1.037 1028 N CA 1.483 54.548 53.050 0.024 0.000 0.855 1028 N CB -0.466 38.034 38.487 0.020 0.000 1.033 1028 N HN 0.306 nan 8.380 nan 0.000 0.423 1029 R N -0.351 120.193 120.500 0.073 0.000 2.096 1029 R HA -0.143 4.195 4.340 -0.004 0.000 0.240 1029 R C 2.110 178.485 176.300 0.126 0.000 1.139 1029 R CA 1.249 57.403 56.100 0.090 0.000 0.952 1029 R CB -0.545 29.822 30.300 0.111 0.000 0.854 1029 R HN 0.217 nan 8.270 nan 0.000 0.436 1030 F N 2.099 122.022 119.950 -0.046 0.000 2.102 1030 F HA -0.195 4.331 4.527 -0.002 0.000 0.298 1030 F C 2.098 177.794 175.800 -0.173 0.000 1.105 1030 F CA 1.622 59.537 58.000 -0.143 0.000 1.239 1030 F CB -0.370 38.352 39.000 -0.463 0.000 0.991 1030 F HN -0.020 nan 8.300 nan 0.000 0.474 1031 Q N -0.192 119.447 119.800 -0.267 0.000 2.119 1031 Q HA -0.187 4.150 4.340 -0.004 0.000 0.201 1031 Q C 1.834 177.698 176.000 -0.227 0.000 0.972 1031 Q CA 1.642 57.231 55.803 -0.357 0.000 0.847 1031 Q CB -0.284 28.302 28.738 -0.254 0.000 0.903 1031 Q HN 0.382 nan 8.270 nan 0.000 0.433 1032 D N 0.584 120.912 120.400 -0.119 0.000 2.144 1032 D HA -0.147 4.491 4.640 -0.004 0.000 0.200 1032 D C 1.718 177.971 176.300 -0.078 0.000 0.978 1032 D CA 1.106 55.058 54.000 -0.080 0.000 0.833 1032 D CB -0.049 40.729 40.800 -0.036 0.000 0.961 1032 D HN 0.031 nan 8.370 nan 0.000 0.470 1033 K N 0.908 121.269 120.400 -0.064 0.000 2.057 1033 K HA -0.041 4.277 4.320 -0.004 0.000 0.207 1033 K C 2.137 178.681 176.600 -0.094 0.000 1.049 1033 K CA 0.734 56.999 56.287 -0.038 0.000 0.931 1033 K CB -0.427 32.101 32.500 0.046 0.000 0.714 1033 K HN 0.092 nan 8.250 nan 0.000 0.440 1034 L N 0.541 121.630 121.223 -0.224 0.000 2.083 1034 L HA -0.149 4.189 4.340 -0.004 0.000 0.209 1034 L C 2.620 179.392 176.870 -0.163 0.000 1.083 1034 L CA 1.714 56.405 54.840 -0.248 0.000 0.752 1034 L CB -0.480 41.306 42.059 -0.454 0.000 0.899 1034 L HN 0.410 nan 8.230 nan 0.000 0.433 1035 E N 0.373 120.479 120.200 -0.156 0.000 2.077 1035 E HA -0.282 4.066 4.350 -0.004 0.000 0.193 1035 E C 1.710 178.264 176.600 -0.075 0.000 0.989 1035 E CA 1.605 57.937 56.400 -0.114 0.000 0.800 1035 E CB 0.084 29.721 29.700 -0.105 0.000 0.746 1035 E HN 0.414 nan 8.360 nan 0.000 0.452 1036 D N 0.054 120.418 120.400 -0.060 0.000 2.104 1036 D HA -0.157 4.480 4.640 -0.004 0.000 0.194 1036 D C 1.942 178.227 176.300 -0.024 0.000 0.994 1036 D CA 1.405 55.384 54.000 -0.034 0.000 0.830 1036 D CB -0.056 40.732 40.800 -0.020 0.000 0.959 1036 D HN 0.221 nan 8.370 nan 0.000 0.452 1037 I N -0.240 120.316 120.570 -0.023 0.000 2.264 1037 I HA -0.266 3.901 4.170 -0.004 0.000 0.248 1037 I C 2.452 178.561 176.117 -0.014 0.000 1.111 1037 I CA 0.820 62.117 61.300 -0.005 0.000 1.382 1037 I CB -0.311 37.692 38.000 0.005 0.000 1.060 1037 I HN 0.043 nan 8.210 nan 0.000 0.418 1038 S N 0.616 116.291 115.700 -0.042 0.000 2.356 1038 S HA -0.239 4.229 4.470 -0.004 0.000 0.223 1038 S C 2.452 177.026 174.600 -0.043 0.000 1.032 1038 S CA 2.054 60.224 58.200 -0.051 0.000 1.005 1038 S CB -0.223 62.928 63.200 -0.080 0.000 0.867 1038 S HN 0.457 nan 8.310 nan 0.000 0.449 1039 K N 1.357 121.732 120.400 -0.040 0.000 2.097 1039 K HA 0.013 4.331 4.320 -0.004 0.000 0.206 1039 K C 1.978 178.564 176.600 -0.022 0.000 1.049 1039 K CA 1.626 57.893 56.287 -0.034 0.000 0.933 1039 K CB -0.768 31.713 32.500 -0.031 0.000 0.717 1039 K HN 0.534 nan 8.250 nan 0.000 0.442 1040 K N -0.369 120.023 120.400 -0.013 0.000 2.097 1040 K HA 0.062 4.380 4.320 -0.004 0.000 0.205 1040 K C 2.190 178.792 176.600 0.002 0.000 1.050 1040 K CA 1.446 57.733 56.287 -0.001 0.000 0.938 1040 K CB -0.283 32.223 32.500 0.010 0.000 0.718 1040 K HN 0.403 nan 8.250 nan 0.000 0.442 1041 I N 1.093 121.664 120.570 0.002 0.000 2.315 1041 I HA -0.259 3.909 4.170 -0.004 0.000 0.248 1041 I C 2.086 178.190 176.117 -0.021 0.000 1.117 1041 I CA 1.241 62.544 61.300 0.005 0.000 1.404 1041 I CB -0.071 37.941 38.000 0.021 0.000 1.071 1041 I HN 0.099 nan 8.210 nan 0.000 0.419 1042 K N 0.445 120.827 120.400 -0.031 0.000 2.057 1042 K HA -0.185 4.132 4.320 -0.004 0.000 0.206 1042 K C 2.136 178.715 176.600 -0.036 0.000 1.050 1042 K CA 1.276 57.538 56.287 -0.042 0.000 0.935 1042 K CB -0.106 32.365 32.500 -0.047 0.000 0.715 1042 K HN 0.382 nan 8.250 nan 0.000 0.439 1043 Q N 0.134 119.919 119.800 -0.026 0.000 2.119 1043 Q HA -0.097 4.240 4.340 -0.004 0.000 0.201 1043 Q C 2.206 178.195 176.000 -0.019 0.000 0.972 1043 Q CA 0.803 56.594 55.803 -0.019 0.000 0.847 1043 Q CB -0.018 28.713 28.738 -0.010 0.000 0.903 1043 Q HN 0.148 nan 8.270 nan 0.000 0.433 1044 R N 1.109 121.597 120.500 -0.021 0.000 2.075 1044 R HA -0.108 4.229 4.340 -0.004 0.000 0.232 1044 R C 1.436 177.694 176.300 -0.070 0.000 1.126 1044 R CA 1.270 57.351 56.100 -0.032 0.000 0.963 1044 R CB -0.201 30.083 30.300 -0.027 0.000 0.858 1044 R HN 0.271 nan 8.270 nan 0.000 0.435 1045 N N 1.418 120.073 118.700 -0.076 0.000 2.223 1045 N HA -0.184 4.553 4.740 -0.004 0.000 0.185 1045 N C 1.512 176.985 175.510 -0.062 0.000 1.016 1045 N CA 1.519 54.515 53.050 -0.090 0.000 0.863 1045 N CB -0.213 38.225 38.487 -0.082 0.000 0.983 1045 N HN 0.560 nan 8.380 nan 0.000 0.429 1046 E N -0.164 120.009 120.200 -0.044 0.000 2.418 1046 E HA -0.049 4.298 4.350 -0.004 0.000 0.197 1046 E C 0.220 176.809 176.600 -0.018 0.000 1.026 1046 E CA 0.709 57.091 56.400 -0.030 0.000 0.862 1046 E CB -0.069 29.615 29.700 -0.026 0.000 0.799 1046 E HN 0.183 nan 8.360 nan 0.000 0.518 1047 N N 0.729 119.420 118.700 -0.015 0.000 2.270 1047 N HA 0.176 4.913 4.740 -0.004 0.000 0.198 1047 N C -0.266 175.253 175.510 0.015 0.000 1.117 1047 N CA 0.195 53.248 53.050 0.005 0.000 0.845 1047 N CB 0.614 39.111 38.487 0.017 0.000 0.980 1047 N HN 0.219 nan 8.380 nan 0.000 0.486 1048 L N 0.664 121.882 121.223 -0.008 0.000 2.334 1048 L HA 0.262 4.599 4.340 -0.004 0.000 0.275 1048 L C 1.369 178.259 176.870 0.033 0.000 1.036 1048 L CA -0.471 54.379 54.840 0.016 0.000 0.807 1048 L CB 1.684 43.706 42.059 -0.062 0.000 1.231 1048 L HN -0.038 nan 8.230 nan 0.000 0.438 1049 E N 1.276 121.528 120.200 0.086 0.000 2.106 1049 E HA -0.062 4.285 4.350 -0.004 0.000 0.192 1049 E C -0.215 176.353 176.600 -0.053 0.000 0.984 1049 E CA 0.930 57.354 56.400 0.040 0.000 0.806 1049 E CB 0.212 29.985 29.700 0.121 0.000 0.750 1049 E HN 0.290 nan 8.360 nan 0.000 0.458 1050 V N 3.143 123.044 119.914 -0.021 0.000 2.305 1050 V HA 0.213 4.330 4.120 -0.004 0.000 0.275 1050 V C -2.390 173.735 176.094 0.052 0.000 1.020 1050 V CA -1.819 60.446 62.300 -0.060 0.000 0.811 1050 V CB 1.017 32.736 31.823 -0.174 0.000 1.031 1050 V HN -0.014 nan 8.190 nan 0.000 0.439 1051 P HA 0.018 nan 4.420 nan 0.000 0.268 1051 P C -1.043 176.240 177.300 -0.027 0.000 1.208 1051 P CA 0.121 63.192 63.100 -0.048 0.000 0.777 1051 P CB 0.310 31.961 31.700 -0.081 0.000 0.875 1052 Y N 3.736 123.925 120.300 -0.184 0.000 2.478 1052 Y HA 0.358 4.906 4.550 -0.004 0.000 0.329 1052 Y C 0.938 176.674 175.900 -0.273 0.000 0.967 1052 Y CA -0.348 57.630 58.100 -0.203 0.000 1.255 1052 Y CB 0.129 38.574 38.460 -0.025 0.000 1.103 1052 Y HN 0.290 nan 8.280 nan 0.000 0.497 1053 I N 1.723 121.776 120.570 -0.862 0.000 4.018 1053 I HA 0.089 4.256 4.170 -0.004 0.000 0.337 1053 I C 0.069 175.909 176.117 -0.462 0.000 1.327 1053 I CA 0.055 61.035 61.300 -0.533 0.000 1.100 1053 I CB -0.069 37.732 38.000 -0.332 0.000 1.025 1053 I HN 0.499 nan 8.210 nan 0.000 0.396 1054 Y N 1.213 121.246 120.300 -0.445 0.000 2.516 1054 Y HA 0.194 4.742 4.550 -0.004 0.000 0.291 1054 Y C 1.795 177.676 175.900 -0.031 0.000 1.131 1054 Y CA 0.303 58.294 58.100 -0.182 0.000 1.281 1054 Y CB 0.036 38.402 38.460 -0.157 0.000 1.013 1054 Y HN 0.168 nan 8.280 nan 0.000 0.554 1055 L N 0.814 122.082 121.223 0.075 0.000 2.791 1055 L HA 0.210 4.547 4.340 -0.004 0.000 0.239 1055 L C -0.360 176.568 176.870 0.096 0.000 1.203 1055 L CA -0.153 54.798 54.840 0.184 0.000 1.002 1055 L CB 0.019 42.281 42.059 0.337 0.000 1.295 1055 L HN 0.165 nan 8.230 nan 0.000 0.504 1056 L N 1.318 122.547 121.223 0.011 0.000 2.410 1056 L HA 0.083 4.420 4.340 -0.004 0.000 0.273 1056 L C -1.064 175.777 176.870 -0.047 0.000 1.152 1056 L CA -1.352 53.467 54.840 -0.036 0.000 0.855 1056 L CB 0.627 42.628 42.059 -0.097 0.000 1.129 1056 L HN -0.118 nan 8.230 nan 0.000 0.463 1057 P HA -0.242 nan 4.420 nan 0.000 0.217 1057 P C 1.099 178.334 177.300 -0.108 0.000 1.151 1057 P CA 1.278 64.339 63.100 -0.065 0.000 0.849 1057 P CB 0.091 31.723 31.700 -0.114 0.000 0.787 1058 E N -0.346 119.727 120.200 -0.211 0.000 2.478 1058 E HA -0.117 4.230 4.350 -0.004 0.000 0.198 1058 E C 1.307 177.447 176.600 -0.766 0.000 1.046 1058 E CA 0.605 56.761 56.400 -0.406 0.000 0.870 1058 E CB -0.314 29.173 29.700 -0.355 0.000 0.818 1058 E HN 0.300 nan 8.360 nan 0.000 0.527 1059 R N 0.408 120.635 120.500 -0.455 0.000 2.476 1059 R HA 0.363 4.700 4.340 -0.004 0.000 0.276 1059 R C 0.121 176.383 176.300 -0.063 0.000 0.941 1059 R CA -0.170 55.636 56.100 -0.489 0.000 1.088 1059 R CB 0.715 30.869 30.300 -0.243 0.000 1.216 1059 R HN 0.129 nan 8.270 nan 0.000 0.533 1060 I N 3.034 123.679 120.570 0.125 0.000 2.307 1060 I HA 0.257 4.425 4.170 -0.004 0.000 0.289 1060 I C -2.345 174.010 176.117 0.398 0.000 1.021 1060 I CA -2.556 58.914 61.300 0.283 0.000 1.224 1060 I CB 1.422 39.544 38.000 0.203 0.000 1.376 1060 I HN -0.330 nan 8.210 nan 0.000 0.470 1061 P HA 0.069 nan 4.420 nan 0.000 0.269 1061 P C 0.355 177.796 177.300 0.236 0.000 1.209 1061 P CA -0.125 63.076 63.100 0.169 0.000 0.776 1061 P CB 0.538 32.397 31.700 0.266 0.000 0.876 1062 N N 0.384 119.178 118.700 0.157 0.000 2.184 1062 N HA -0.113 4.624 4.740 -0.004 0.000 0.190 1062 N C 1.085 176.831 175.510 0.394 0.000 1.011 1062 N CA 1.549 54.765 53.050 0.277 0.000 0.867 1062 N CB -0.285 38.233 38.487 0.052 0.000 0.993 1062 N HN 0.553 nan 8.380 nan 0.000 0.433 1063 G N -1.947 107.015 108.800 0.270 0.000 2.949 1063 G HA2 0.422 4.380 3.960 -0.004 0.000 0.285 1063 G HA3 0.422 4.380 3.960 -0.004 0.000 0.285 1063 G C -1.279 173.745 174.900 0.207 0.000 1.395 1063 G CA -0.387 44.844 45.100 0.218 0.000 0.901 1063 G HN -0.079 nan 8.290 nan 0.000 0.519 1064 T N 0.926 115.527 114.554 0.080 0.000 2.832 1064 T HA 0.520 4.868 4.350 -0.004 0.000 0.313 1064 T C 0.672 175.282 174.700 -0.150 0.000 1.035 1064 T CA 0.504 62.440 62.100 -0.274 0.000 0.950 1064 T CB 1.024 69.654 68.868 -0.395 0.000 0.984 1064 T HN 0.878 nan 8.240 nan 0.000 0.486 1065 A N 3.492 126.324 122.820 0.021 0.000 2.551 1065 A HA 0.641 4.958 4.320 -0.004 0.000 0.252 1065 A C 0.118 177.882 177.584 0.300 0.000 1.199 1065 A CA -0.081 52.050 52.037 0.156 0.000 0.972 1065 A CB 0.310 19.387 19.000 0.129 0.000 1.153 1065 A HN 0.616 nan 8.150 nan 0.000 0.559 1066 I N 0.000 120.766 120.570 0.327 0.000 2.984 1066 I HA 0.000 4.167 4.170 -0.004 0.000 0.288 1066 I CA 0.000 61.510 61.300 0.350 0.000 1.566 1066 I CB 0.000 38.172 38.000 0.286 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494