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 3fg1_1_D 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 LEDIGYXXXX XXXXXXADIR YCAAPLALFY VNKLGHLMPI AIQINQEPGP DATA SEQUENCE ENPIWTPHEE NEHDWMMAKF WLGVAESNFH QLNTHLLRTH LTTESFALST DATA SEQUENCE WRNLASAHPI FKLLQPHIYG VLAIDTIGRK ELIGSGGIVD 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 0.000 175.227 175.328 -0.169 0.000 0.993 373 H CA 0.000 55.964 56.048 -0.140 0.000 1.023 373 H CB 0.000 29.720 29.762 -0.070 0.000 1.292 374 A N 0.643 123.331 122.820 -0.221 0.000 2.423 374 A HA 0.826 5.148 4.320 0.002 0.000 0.304 374 A C -0.771 176.522 177.584 -0.485 0.000 1.104 374 A CA -0.495 51.306 52.037 -0.393 0.000 0.757 374 A CB 1.048 19.698 19.000 -0.584 0.000 1.313 374 A HN 0.914 nan 8.150 nan 0.000 0.423 375 I N 1.261 121.577 120.570 -0.423 0.000 2.339 375 I HA 0.307 4.478 4.170 0.002 0.000 0.290 375 I C -1.386 174.541 176.117 -0.316 0.000 0.994 375 I CA -0.233 60.907 61.300 -0.267 0.000 1.191 375 I CB 1.088 39.028 38.000 -0.101 0.000 1.343 375 I HN 0.600 nan 8.210 nan 0.000 0.458 376 Y N 4.975 125.316 120.300 0.069 0.000 2.335 376 Y HA 0.317 4.869 4.550 0.002 0.000 0.339 376 Y C 0.370 176.331 175.900 0.103 0.000 0.987 376 Y CA -0.912 57.239 58.100 0.085 0.000 1.140 376 Y CB 0.748 39.252 38.460 0.072 0.000 1.173 376 Y HN 0.457 nan 8.280 nan 0.000 0.486 377 N N 3.372 122.219 118.700 0.244 0.000 2.411 377 N HA 0.223 4.965 4.740 0.002 0.000 0.259 377 N C -1.113 174.539 175.510 0.237 0.000 1.103 377 N CA -0.088 53.085 53.050 0.205 0.000 0.954 377 N CB 1.701 40.279 38.487 0.151 0.000 1.085 377 N HN 0.285 nan 8.380 nan 0.000 0.485 378 V N 2.029 122.094 119.914 0.252 0.000 2.384 378 V HA 0.281 4.403 4.120 0.002 0.000 0.287 378 V C 0.258 176.534 176.094 0.303 0.000 1.020 378 V CA -0.720 61.736 62.300 0.260 0.000 0.850 378 V CB 1.804 33.773 31.823 0.244 0.000 0.987 378 V HN 0.571 nan 8.190 nan 0.000 0.436 379 E N 3.746 124.096 120.200 0.249 0.000 2.187 379 E HA 0.669 5.020 4.350 0.002 0.000 0.268 379 E C -1.748 174.996 176.600 0.239 0.000 0.896 379 E CA -0.500 56.044 56.400 0.240 0.000 0.766 379 E CB 2.219 32.017 29.700 0.164 0.000 1.142 379 E HN 0.480 nan 8.360 nan 0.000 0.408 380 V N 4.198 124.301 119.914 0.314 0.000 2.495 380 V HA 0.274 4.396 4.120 0.002 0.000 0.298 380 V C -0.632 175.582 176.094 0.200 0.000 1.031 380 V CA -0.793 61.651 62.300 0.239 0.000 0.871 380 V CB 1.697 33.735 31.823 0.358 0.000 0.988 380 V HN 0.696 nan 8.190 nan 0.000 0.432 381 E N 2.557 122.784 120.200 0.045 0.000 2.109 381 E HA 0.421 4.772 4.350 0.002 0.000 0.278 381 E C -0.619 175.934 176.600 -0.078 0.000 0.954 381 E CA -0.425 55.986 56.400 0.017 0.000 0.779 381 E CB 1.495 31.181 29.700 -0.023 0.000 1.093 381 E HN 0.604 nan 8.360 nan 0.000 0.401 382 T N 2.000 116.581 114.554 0.046 0.000 2.845 382 T HA 0.321 4.673 4.350 0.002 0.000 0.288 382 T C 0.598 175.315 174.700 0.028 0.000 0.980 382 T CA -0.657 61.455 62.100 0.020 0.000 1.071 382 T CB 1.304 70.351 68.868 0.298 0.000 0.941 382 T HN 0.565 nan 8.240 nan 0.000 0.487 383 G N 1.514 110.335 108.800 0.034 0.000 2.614 383 G HA2 0.088 4.049 3.960 0.002 0.000 0.239 383 G HA3 0.088 4.049 3.960 0.002 0.000 0.239 383 G C 0.281 175.198 174.900 0.029 0.000 1.240 383 G CA -0.406 44.743 45.100 0.082 0.000 0.842 383 G HN 0.791 nan 8.290 nan 0.000 0.584 384 D N -1.062 119.336 120.400 -0.002 0.000 2.347 384 D HA 0.019 4.660 4.640 0.002 0.000 0.213 384 D C 1.574 177.856 176.300 -0.030 0.000 0.985 384 D CA 0.134 54.134 54.000 0.000 0.000 0.879 384 D CB 0.204 41.008 40.800 0.005 0.000 0.919 384 D HN 0.536 nan 8.370 nan 0.000 0.526 385 R N 1.239 121.675 120.500 -0.107 0.000 2.738 385 R HA 0.120 4.461 4.340 0.002 0.000 0.268 385 R C 0.247 176.556 176.300 0.015 0.000 1.062 385 R CA -0.429 55.618 56.100 -0.088 0.000 1.158 385 R CB 0.443 30.617 30.300 -0.210 0.000 1.046 385 R HN -0.007 nan 8.270 nan 0.000 0.493 386 E N 1.225 121.448 120.200 0.038 0.000 2.568 386 E HA -0.208 4.143 4.350 0.002 0.000 0.262 386 E C -0.419 176.292 176.600 0.184 0.000 0.961 386 E CA 0.364 56.775 56.400 0.018 0.000 0.945 386 E CB 0.179 29.870 29.700 -0.015 0.000 0.924 386 E HN 0.789 nan 8.360 nan 0.000 0.467 387 H N 0.620 119.824 119.070 0.223 0.000 3.211 387 H HA -0.262 4.295 4.556 0.002 0.000 0.240 387 H C 1.038 176.648 175.328 0.469 0.000 1.148 387 H CA 0.846 57.075 56.048 0.301 0.000 1.160 387 H CB -1.800 28.115 29.762 0.256 0.000 1.232 387 H HN 0.575 nan 8.280 nan 0.000 0.321 388 A N 0.750 123.820 122.820 0.416 0.000 1.978 388 A HA 0.069 4.391 4.320 0.002 0.000 0.220 388 A C 2.039 179.871 177.584 0.414 0.000 1.170 388 A CA 1.464 53.669 52.037 0.279 0.000 0.636 388 A CB -0.519 18.529 19.000 0.080 0.000 0.810 388 A HN 0.538 nan 8.150 nan 0.000 0.448 389 G N -1.916 107.101 108.800 0.363 0.000 2.684 389 G HA2 0.433 4.395 3.960 0.002 0.000 0.255 389 G HA3 0.433 4.395 3.960 0.002 0.000 0.255 389 G C -0.214 174.854 174.900 0.280 0.000 1.219 389 G CA 0.691 45.997 45.100 0.343 0.000 0.901 389 G HN 0.452 nan 8.290 nan 0.000 0.548 390 T N -1.631 112.977 114.554 0.089 0.000 2.923 390 T HA 0.395 4.746 4.350 0.002 0.000 0.311 390 T C -0.600 174.086 174.700 -0.023 0.000 1.183 390 T CA -0.186 61.897 62.100 -0.029 0.000 1.020 390 T CB 1.804 70.486 68.868 -0.310 0.000 1.165 390 T HN 0.570 nan 8.240 nan 0.000 0.482 391 D N 1.711 122.110 120.400 -0.001 0.000 2.440 391 D HA 0.333 4.974 4.640 0.002 0.000 0.216 391 D C 0.806 177.093 176.300 -0.022 0.000 1.150 391 D CA -0.268 53.735 54.000 0.005 0.000 0.832 391 D CB -0.034 40.791 40.800 0.041 0.000 0.992 391 D HN 0.644 nan 8.370 nan 0.000 0.502 392 A N 0.431 123.209 122.820 -0.070 0.000 2.448 392 A HA 0.370 4.691 4.320 0.002 0.000 0.239 392 A C 0.545 178.072 177.584 -0.096 0.000 1.080 392 A CA 0.049 52.035 52.037 -0.086 0.000 0.779 392 A CB -0.063 18.864 19.000 -0.121 0.000 1.026 392 A HN 0.160 nan 8.150 nan 0.000 0.499 393 T N 3.122 117.635 114.554 -0.069 0.000 2.799 393 T HA 0.354 4.706 4.350 0.002 0.000 0.296 393 T C 0.131 174.782 174.700 -0.082 0.000 0.947 393 T CA 0.278 62.346 62.100 -0.053 0.000 1.141 393 T CB -0.298 68.559 68.868 -0.019 0.000 0.891 393 T HN 0.331 nan 8.240 nan 0.000 0.533 394 I N 4.677 125.200 120.570 -0.078 0.000 2.359 394 I HA 0.370 4.541 4.170 0.002 0.000 0.294 394 I C 0.938 177.057 176.117 0.004 0.000 0.987 394 I CA -0.669 60.582 61.300 -0.081 0.000 1.225 394 I CB 1.175 39.047 38.000 -0.214 0.000 1.366 394 I HN 0.649 nan 8.210 nan 0.000 0.466 395 T N 4.409 119.008 114.554 0.076 0.000 2.924 395 T HA 0.779 5.131 4.350 0.002 0.000 0.291 395 T C -0.413 174.426 174.700 0.231 0.000 1.045 395 T CA -0.781 61.408 62.100 0.148 0.000 1.015 395 T CB 2.725 71.705 68.868 0.186 0.000 1.103 395 T HN 0.480 nan 8.240 nan 0.000 0.496 396 I N 0.685 121.365 120.570 0.183 0.000 2.533 396 I HA 0.596 4.767 4.170 0.002 0.000 0.290 396 I C -0.719 175.338 176.117 -0.100 0.000 1.056 396 I CA -1.195 60.144 61.300 0.065 0.000 1.057 396 I CB 1.831 39.801 38.000 -0.050 0.000 1.240 396 I HN 0.704 nan 8.210 nan 0.000 0.423 397 R N 7.905 128.199 120.500 -0.343 0.000 2.338 397 R HA 0.627 4.968 4.340 0.002 0.000 0.317 397 R C -1.466 174.587 176.300 -0.411 0.000 0.968 397 R CA -0.536 55.213 56.100 -0.586 0.000 0.849 397 R CB 1.167 30.755 30.300 -1.186 0.000 1.128 397 R HN 0.619 nan 8.270 nan 0.000 0.448 398 I N 3.415 123.755 120.570 -0.384 0.000 2.336 398 I HA 0.276 4.447 4.170 0.002 0.000 0.292 398 I C -0.233 175.727 176.117 -0.262 0.000 0.991 398 I CA -0.536 60.541 61.300 -0.373 0.000 1.227 398 I CB 2.152 39.805 38.000 -0.579 0.000 1.366 398 I HN 0.550 nan 8.210 nan 0.000 0.466 399 T N 4.438 118.878 114.554 -0.188 0.000 2.807 399 T HA 0.689 5.040 4.350 0.002 0.000 0.279 399 T C 0.099 174.761 174.700 -0.063 0.000 0.993 399 T CA -0.589 61.441 62.100 -0.118 0.000 0.970 399 T CB 1.863 70.676 68.868 -0.092 0.000 0.950 399 T HN 0.881 nan 8.240 nan 0.000 0.441 400 G N 0.333 109.117 108.800 -0.027 0.000 2.921 400 G HA2 0.627 4.589 3.960 0.002 0.000 0.291 400 G HA3 0.627 4.589 3.960 0.002 0.000 0.291 400 G C 0.909 175.830 174.900 0.035 0.000 1.370 400 G CA -0.131 44.976 45.100 0.012 0.000 0.847 400 G HN 0.701 nan 8.290 nan 0.000 0.532 401 A N -0.324 122.529 122.820 0.055 0.000 1.958 401 A HA -0.073 4.248 4.320 0.002 0.000 0.221 401 A C 1.985 179.614 177.584 0.074 0.000 1.178 401 A CA 2.145 54.215 52.037 0.055 0.000 0.642 401 A CB -0.384 18.653 19.000 0.061 0.000 0.816 401 A HN 0.519 nan 8.150 nan 0.000 0.453 402 K N -1.579 118.900 120.400 0.132 0.000 2.393 402 K HA 0.349 4.671 4.320 0.002 0.000 0.193 402 K C 0.894 177.627 176.600 0.220 0.000 1.026 402 K CA 0.471 56.882 56.287 0.208 0.000 1.064 402 K CB 0.317 32.983 32.500 0.276 0.000 0.833 402 K HN 0.595 nan 8.250 nan 0.000 0.521 403 G N 1.790 110.627 108.800 0.063 0.000 2.334 403 G HA2 -0.001 3.961 3.960 0.002 0.000 0.249 403 G HA3 -0.001 3.961 3.960 0.002 0.000 0.249 403 G C -1.762 172.978 174.900 -0.266 0.000 1.327 403 G CA -0.970 43.994 45.100 -0.226 0.000 0.979 403 G HN 0.208 nan 8.290 nan 0.000 0.471 404 R N -1.010 119.193 120.500 -0.496 0.000 2.707 404 R HA 0.746 5.088 4.340 0.002 0.000 0.272 404 R C 0.109 176.209 176.300 -0.333 0.000 1.011 404 R CA -0.038 55.868 56.100 -0.322 0.000 0.893 404 R CB 1.397 31.545 30.300 -0.253 0.000 1.233 404 R HN 1.074 nan 8.270 nan 0.000 0.464 405 T N -1.224 113.224 114.554 -0.177 0.000 2.754 405 T HA 0.118 4.469 4.350 0.002 0.000 0.286 405 T C 0.221 174.833 174.700 -0.147 0.000 0.997 405 T CA -0.489 61.566 62.100 -0.075 0.000 0.982 405 T CB 0.830 69.665 68.868 -0.055 0.000 1.027 405 T HN 0.604 nan 8.240 nan 0.000 0.529 406 D N -1.024 119.338 120.400 -0.063 0.000 2.384 406 D HA 0.112 4.754 4.640 0.002 0.000 0.244 406 D C -0.604 175.631 176.300 -0.107 0.000 1.251 406 D CA -0.499 53.465 54.000 -0.060 0.000 0.961 406 D CB 0.102 40.917 40.800 0.026 0.000 1.116 406 D HN 0.585 nan 8.370 nan 0.000 0.484 407 Y N 0.239 120.510 120.300 -0.048 0.000 2.569 407 Y HA 0.126 4.677 4.550 0.002 0.000 0.332 407 Y C 0.149 176.037 175.900 -0.020 0.000 1.120 407 Y CA 0.094 58.167 58.100 -0.046 0.000 1.416 407 Y CB 0.271 38.695 38.460 -0.059 0.000 1.210 407 Y HN 0.055 nan 8.280 nan 0.000 0.528 408 L N 5.065 126.352 121.223 0.106 0.000 2.322 408 L HA 0.416 4.757 4.340 0.002 0.000 0.279 408 L C -0.089 176.826 176.870 0.076 0.000 1.036 408 L CA -1.028 53.860 54.840 0.080 0.000 0.807 408 L CB 1.213 43.304 42.059 0.054 0.000 1.226 408 L HN 0.448 nan 8.230 nan 0.000 0.433 409 K N 3.428 123.866 120.400 0.062 0.000 2.322 409 K HA 0.392 4.713 4.320 0.002 0.000 0.283 409 K C -0.788 175.799 176.600 -0.021 0.000 1.042 409 K CA -0.251 56.054 56.287 0.031 0.000 0.958 409 K CB 0.867 33.389 32.500 0.036 0.000 0.984 409 K HN 0.467 nan 8.250 nan 0.000 0.473 410 L N 3.626 124.775 121.223 -0.123 0.000 2.426 410 L HA 0.233 4.575 4.340 0.002 0.000 0.255 410 L C -0.470 176.224 176.870 -0.292 0.000 1.080 410 L CA -0.323 54.247 54.840 -0.451 0.000 0.960 410 L CB 0.430 42.099 42.059 -0.649 0.000 1.326 410 L HN 0.519 nan 8.230 nan 0.000 0.441 411 D N 3.012 123.379 120.400 -0.054 0.000 2.517 411 D HA 0.254 4.895 4.640 0.002 0.000 0.263 411 D C -0.675 175.671 176.300 0.075 0.000 1.233 411 D CA -0.202 53.800 54.000 0.004 0.000 0.849 411 D CB 0.724 41.529 40.800 0.008 0.000 1.261 411 D HN 0.263 nan 8.370 nan 0.000 0.516 412 K N 1.887 122.362 120.400 0.125 0.000 2.618 412 K HA 0.510 4.832 4.320 0.002 0.000 0.322 412 K C -0.237 176.366 176.600 0.005 0.000 1.267 412 K CA -0.052 56.291 56.287 0.093 0.000 1.083 412 K CB 0.171 32.780 32.500 0.181 0.000 1.386 412 K HN 0.444 nan 8.250 nan 0.000 0.509 413 G N 1.509 110.273 108.800 -0.061 0.000 2.685 413 G HA2 -0.188 3.774 3.960 0.002 0.000 0.387 413 G HA3 -0.188 3.774 3.960 0.002 0.000 0.387 413 G C -0.522 174.275 174.900 -0.172 0.000 1.324 413 G CA -0.397 44.636 45.100 -0.113 0.000 0.878 413 G HN 0.969 nan 8.290 nan 0.000 0.527 419 E N 1.379 121.737 120.200 0.264 0.000 2.318 419 E HA 0.580 4.932 4.350 0.002 0.000 0.265 419 E C 0.132 176.864 176.600 0.220 0.000 1.069 419 E CA -0.492 56.027 56.400 0.198 0.000 0.893 419 E CB 1.572 31.347 29.700 0.124 0.000 1.076 419 E HN 0.501 nan 8.360 nan 0.000 0.414 420 A N 0.583 123.509 122.820 0.177 0.000 2.567 420 A HA 0.339 4.660 4.320 0.002 0.000 0.240 420 A C 1.268 178.920 177.584 0.113 0.000 1.053 420 A CA 0.989 53.113 52.037 0.145 0.000 0.755 420 A CB -0.582 18.479 19.000 0.102 0.000 0.978 420 A HN 0.795 nan 8.150 nan 0.000 0.507 421 G N 1.485 110.348 108.800 0.105 0.000 2.179 421 G HA2 -0.198 3.763 3.960 0.002 0.000 0.260 421 G HA3 -0.198 3.763 3.960 0.002 0.000 0.260 421 G C 0.611 175.572 174.900 0.102 0.000 0.977 421 G CA 0.964 46.115 45.100 0.084 0.000 0.641 421 G HN 2.216 nan 8.290 nan 0.000 0.533 422 S N -0.497 115.289 115.700 0.144 0.000 2.592 422 S HA 0.670 5.141 4.470 0.002 0.000 0.271 422 S C -0.125 174.576 174.600 0.168 0.000 1.326 422 S CA -0.117 58.175 58.200 0.154 0.000 1.024 422 S CB 1.877 65.192 63.200 0.192 0.000 0.921 422 S HN 0.398 nan 8.310 nan 0.000 0.527 423 K N 1.717 122.198 120.400 0.135 0.000 2.483 423 K HA 0.372 4.693 4.320 0.002 0.000 0.256 423 K C -0.957 175.719 176.600 0.126 0.000 0.961 423 K CA -0.504 55.865 56.287 0.137 0.000 0.873 423 K CB 1.113 33.669 32.500 0.093 0.000 1.107 423 K HN 0.584 nan 8.250 nan 0.000 0.432 424 E N 2.599 122.920 120.200 0.202 0.000 2.199 424 E HA 0.250 4.601 4.350 0.002 0.000 0.269 424 E C -0.790 175.821 176.600 0.017 0.000 0.899 424 E CA -0.658 55.798 56.400 0.094 0.000 0.772 424 E CB 2.279 32.105 29.700 0.209 0.000 1.155 424 E HN 0.444 nan 8.360 nan 0.000 0.408 425 Q N 1.558 121.186 119.800 -0.285 0.000 2.309 425 Q HA 0.553 4.895 4.340 0.002 0.000 0.264 425 Q C -1.101 174.496 176.000 -0.672 0.000 1.008 425 Q CA -0.668 54.986 55.803 -0.248 0.000 0.853 425 Q CB 1.773 30.445 28.738 -0.110 0.000 1.314 425 Q HN 0.418 nan 8.270 nan 0.000 0.448 426 Y N -0.450 119.905 120.300 0.091 0.000 2.524 426 Y HA 0.467 5.019 4.550 0.002 0.000 0.347 426 Y C -0.366 175.590 175.900 0.093 0.000 1.005 426 Y CA -0.880 57.270 58.100 0.083 0.000 1.025 426 Y CB 2.607 41.132 38.460 0.107 0.000 1.275 426 Y HN 0.403 nan 8.280 nan 0.000 0.460 427 T N 3.261 117.944 114.554 0.215 0.000 2.815 427 T HA 0.610 4.962 4.350 0.002 0.000 0.289 427 T C -0.918 173.888 174.700 0.177 0.000 1.000 427 T CA -0.680 61.519 62.100 0.166 0.000 0.958 427 T CB 0.437 69.363 68.868 0.097 0.000 0.944 427 T HN 0.541 nan 8.240 nan 0.000 0.442 428 V N 1.819 121.854 119.914 0.202 0.000 3.040 428 V HA 0.797 4.918 4.120 0.002 0.000 0.312 428 V C -0.937 175.282 176.094 0.207 0.000 1.115 428 V CA -1.232 61.185 62.300 0.194 0.000 0.998 428 V CB 2.116 34.056 31.823 0.195 0.000 1.042 428 V HN 0.798 nan 8.190 nan 0.000 0.433 429 Q N 0.929 120.828 119.800 0.165 0.000 2.340 429 Q HA 0.808 5.149 4.340 0.002 0.000 0.268 429 Q C -0.351 175.756 176.000 0.178 0.000 1.031 429 Q CA 0.162 56.038 55.803 0.122 0.000 0.804 429 Q CB 1.951 30.724 28.738 0.058 0.000 1.286 429 Q HN 1.454 nan 8.270 nan 0.000 0.448 430 G N 1.828 110.760 108.800 0.219 0.000 2.619 430 G HA2 0.269 4.230 3.960 0.002 0.000 0.305 430 G HA3 0.269 4.230 3.960 0.002 0.000 0.305 430 G C -1.712 173.345 174.900 0.261 0.000 1.330 430 G CA -0.973 44.285 45.100 0.262 0.000 0.789 430 G HN 0.626 nan 8.290 nan 0.000 0.487 431 F N 1.432 121.458 119.950 0.127 0.000 2.604 431 F HA 0.196 4.725 4.527 0.002 0.000 0.390 431 F C 0.654 176.547 175.800 0.155 0.000 1.053 431 F CA 0.034 58.093 58.000 0.097 0.000 1.256 431 F CB 0.662 39.699 39.000 0.062 0.000 0.996 431 F HN 0.336 nan 8.300 nan 0.000 0.564 432 D N 5.510 125.754 120.400 -0.260 0.000 2.346 432 D HA 0.079 4.720 4.640 0.002 0.000 0.260 432 D C 0.906 177.310 176.300 0.172 0.000 1.252 432 D CA 0.029 53.990 54.000 -0.066 0.000 0.895 432 D CB 0.759 41.434 40.800 -0.209 0.000 1.097 432 D HN 0.391 nan 8.370 nan 0.000 0.489 433 V N 2.303 122.465 119.914 0.413 0.000 3.573 433 V HA 0.348 4.470 4.120 0.002 0.000 0.270 433 V C 1.406 177.632 176.094 0.220 0.000 1.221 433 V CA 0.595 63.124 62.300 0.383 0.000 1.163 433 V CB -0.998 30.961 31.823 0.228 0.000 0.847 433 V HN 0.735 nan 8.190 nan 0.000 0.468 434 G N 1.249 110.147 108.800 0.164 0.000 2.583 434 G HA2 -0.395 3.566 3.960 0.002 0.000 0.292 434 G HA3 -0.395 3.566 3.960 0.002 0.000 0.292 434 G C -0.192 174.788 174.900 0.134 0.000 1.203 434 G CA 0.583 45.757 45.100 0.122 0.000 0.987 434 G HN 0.825 nan 8.290 nan 0.000 0.554 435 D N 1.036 121.513 120.400 0.128 0.000 2.401 435 D HA 0.380 5.021 4.640 0.002 0.000 0.254 435 D C 1.061 177.389 176.300 0.047 0.000 1.192 435 D CA -0.058 54.039 54.000 0.161 0.000 0.885 435 D CB 0.006 40.901 40.800 0.159 0.000 1.147 435 D HN 0.503 nan 8.370 nan 0.000 0.478 436 I N 3.730 124.192 120.570 -0.179 0.000 2.556 436 I HA -0.004 4.167 4.170 0.002 0.000 0.284 436 I C 1.392 177.450 176.117 -0.100 0.000 1.114 436 I CA 0.215 61.328 61.300 -0.312 0.000 1.418 436 I CB 0.984 38.523 38.000 -0.770 0.000 1.394 436 I HN 0.521 nan 8.210 nan 0.000 0.552 437 Q N 5.548 125.348 119.800 0.000 0.000 2.431 437 Q HA 0.281 4.623 4.340 0.002 0.000 0.244 437 Q C -0.732 175.371 176.000 0.171 0.000 0.880 437 Q CA 0.206 56.046 55.803 0.061 0.000 0.954 437 Q CB 0.908 29.654 28.738 0.014 0.000 1.105 437 Q HN 0.638 nan 8.270 nan 0.000 0.558 438 L N -1.803 119.533 121.223 0.189 0.000 2.671 438 L HA 0.638 4.980 4.340 0.002 0.000 0.259 438 L C -1.187 175.704 176.870 0.034 0.000 1.021 438 L CA -1.310 53.710 54.840 0.300 0.000 0.871 438 L CB 1.253 43.535 42.059 0.372 0.000 1.472 438 L HN 0.050 nan 8.230 nan 0.000 0.410 439 I N -2.162 118.333 120.570 -0.125 0.000 2.934 439 I HA 0.822 4.993 4.170 0.002 0.000 0.306 439 I C -1.209 174.764 176.117 -0.239 0.000 1.110 439 I CA -0.594 60.510 61.300 -0.326 0.000 1.019 439 I CB 2.563 40.168 38.000 -0.659 0.000 1.227 439 I HN 0.781 nan 8.210 nan 0.000 0.434 440 E N 4.178 124.253 120.200 -0.209 0.000 2.218 440 E HA 0.571 4.923 4.350 0.002 0.000 0.263 440 E C -1.455 175.151 176.600 0.011 0.000 0.879 440 E CA -0.622 55.727 56.400 -0.085 0.000 0.762 440 E CB 2.851 32.532 29.700 -0.032 0.000 1.166 440 E HN 0.473 nan 8.360 nan 0.000 0.415 441 L N 2.713 123.951 121.223 0.025 0.000 2.307 441 L HA 0.479 4.820 4.340 0.002 0.000 0.282 441 L C -0.423 176.565 176.870 0.198 0.000 1.051 441 L CA -0.729 54.170 54.840 0.099 0.000 0.804 441 L CB 0.902 42.964 42.059 0.006 0.000 1.197 441 L HN 0.557 nan 8.230 nan 0.000 0.431 442 H N 1.453 120.584 119.070 0.101 0.000 2.589 442 H HA 0.462 5.019 4.556 0.002 0.000 0.351 442 H C -1.039 174.272 175.328 -0.027 0.000 1.074 442 H CA -0.333 55.699 56.048 -0.027 0.000 1.203 442 H CB 1.996 31.579 29.762 -0.298 0.000 1.558 442 H HN 0.492 nan 8.280 nan 0.000 0.522 443 S N 2.273 117.613 115.700 -0.601 0.000 2.472 443 S HA 0.136 4.608 4.470 0.002 0.000 0.303 443 S C 0.344 174.548 174.600 -0.659 0.000 1.099 443 S CA -0.565 57.367 58.200 -0.447 0.000 1.077 443 S CB 0.754 63.839 63.200 -0.192 0.000 1.031 443 S HN 0.845 nan 8.310 nan 0.000 0.487 444 D N 2.891 123.096 120.400 -0.326 0.000 2.349 444 D HA 0.135 4.777 4.640 0.002 0.000 0.224 444 D C 1.280 177.506 176.300 -0.123 0.000 1.029 444 D CA 0.721 54.618 54.000 -0.172 0.000 0.879 444 D CB -0.622 40.150 40.800 -0.047 0.000 0.906 444 D HN 1.018 nan 8.370 nan 0.000 0.528 445 G N -0.448 108.268 108.800 -0.140 0.000 2.155 445 G HA2 -0.007 3.954 3.960 0.002 0.000 0.257 445 G HA3 -0.007 3.954 3.960 0.002 0.000 0.257 445 G C 0.826 175.689 174.900 -0.062 0.000 0.983 445 G CA 0.424 45.471 45.100 -0.089 0.000 0.676 445 G HN 1.378 nan 8.290 nan 0.000 0.528 446 G N -1.956 106.811 108.800 -0.055 0.000 2.781 446 G HA2 0.463 4.424 3.960 0.002 0.000 0.683 446 G HA3 0.463 4.424 3.960 0.002 0.000 0.683 446 G C 0.797 175.688 174.900 -0.015 0.000 1.390 446 G CA 0.506 45.590 45.100 -0.027 0.000 0.850 446 G HN 1.997 nan 8.290 nan 0.000 0.557 447 G N -1.514 107.296 108.800 0.018 0.000 2.606 447 G HA2 0.576 4.537 3.960 0.002 0.000 0.262 447 G HA3 0.576 4.537 3.960 0.002 0.000 0.262 447 G C 0.863 175.759 174.900 -0.007 0.000 1.394 447 G CA 0.582 45.700 45.100 0.030 0.000 1.044 447 G HN 1.289 nan 8.290 nan 0.000 0.553 448 Y N -0.767 119.432 120.300 -0.169 0.000 2.151 448 Y HA -0.193 4.359 4.550 0.002 0.000 0.284 448 Y C 2.175 177.834 175.900 -0.403 0.000 1.166 448 Y CA 2.040 59.909 58.100 -0.385 0.000 1.163 448 Y CB -0.010 38.065 38.460 -0.641 0.000 0.974 448 Y HN 0.480 nan 8.280 nan 0.000 0.511 449 W N -0.227 121.122 121.300 0.083 0.000 3.197 449 W HA 0.231 4.893 4.660 0.002 0.000 0.274 449 W C 0.673 177.179 176.519 -0.021 0.000 1.297 449 W CA 0.039 57.401 57.345 0.028 0.000 1.662 449 W CB -0.133 29.391 29.460 0.107 0.000 1.106 449 W HN -0.296 nan 8.180 nan 0.000 0.663 450 S N 1.224 117.001 115.700 0.128 0.000 2.509 450 S HA 0.142 4.614 4.470 0.002 0.000 0.287 450 S C 1.396 176.012 174.600 0.027 0.000 1.248 450 S CA 0.371 58.615 58.200 0.073 0.000 1.089 450 S CB 1.005 64.223 63.200 0.030 0.000 0.900 450 S HN 0.395 nan 8.310 nan 0.000 0.496 451 G N 2.025 110.856 108.800 0.051 0.000 2.394 451 G HA2 -0.050 3.911 3.960 0.002 0.000 0.214 451 G HA3 -0.050 3.911 3.960 0.002 0.000 0.214 451 G C 0.185 175.067 174.900 -0.029 0.000 1.176 451 G CA 0.398 45.510 45.100 0.020 0.000 0.786 451 G HN 0.684 nan 8.290 nan 0.000 0.533 452 D N -0.908 119.490 120.400 -0.003 0.000 2.586 452 D HA 0.292 4.934 4.640 0.002 0.000 0.254 452 D C -1.521 174.808 176.300 0.049 0.000 1.248 452 D CA -1.208 52.772 54.000 -0.032 0.000 0.843 452 D CB 1.376 42.097 40.800 -0.132 0.000 1.332 452 D HN -0.018 nan 8.370 nan 0.000 0.523 453 P HA -0.073 nan 4.420 nan 0.000 0.222 453 P C -0.219 177.149 177.300 0.114 0.000 1.147 453 P CA 0.501 63.623 63.100 0.037 0.000 0.790 453 P CB 0.194 31.888 31.700 -0.009 0.000 0.780 454 D N -0.032 120.457 120.400 0.148 0.000 2.472 454 D HA 0.044 4.685 4.640 0.002 0.000 0.237 454 D C -0.426 176.232 176.300 0.596 0.000 1.141 454 D CA 0.542 54.723 54.000 0.301 0.000 0.875 454 D CB 0.078 40.968 40.800 0.150 0.000 1.192 454 D HN 0.099 nan 8.370 nan 0.000 0.450 455 W N 4.469 126.000 121.300 0.385 0.000 2.756 455 W HA 0.369 5.030 4.660 0.002 0.000 0.333 455 W C -1.911 174.615 176.519 0.011 0.000 1.025 455 W CA -1.523 55.930 57.345 0.179 0.000 1.246 455 W CB 0.403 29.843 29.460 -0.033 0.000 1.358 455 W HN 0.196 nan 8.180 nan 0.000 0.444 456 F N 7.127 126.846 119.950 -0.385 0.000 2.390 456 F HA 0.538 5.066 4.527 0.002 0.000 0.361 456 F C -0.548 174.769 175.800 -0.805 0.000 1.124 456 F CA -0.459 56.975 58.000 -0.944 0.000 1.149 456 F CB 0.644 38.736 39.000 -1.513 0.000 1.160 456 F HN -0.026 nan 8.300 nan 0.000 0.501 457 V N 7.649 126.816 119.914 -1.246 0.000 2.370 457 V HA 0.155 4.276 4.120 0.002 0.000 0.279 457 V C 0.713 176.184 176.094 -1.038 0.000 1.029 457 V CA -0.422 61.214 62.300 -1.107 0.000 0.870 457 V CB 1.269 32.340 31.823 -1.254 0.000 0.984 457 V HN 0.862 nan 8.190 nan 0.000 0.451 458 N N 3.241 121.456 118.700 -0.808 0.000 2.092 458 N HA 0.019 4.760 4.740 0.002 0.000 0.189 458 N C 0.859 175.737 175.510 -1.052 0.000 1.040 458 N CA 0.808 53.130 53.050 -1.214 0.000 0.845 458 N CB 0.255 38.296 38.487 -0.744 0.000 1.017 458 N HN 0.593 nan 8.380 nan 0.000 0.426 459 R N -0.012 120.163 120.500 -0.540 0.000 2.664 459 R HA 0.366 4.707 4.340 0.002 0.000 0.266 459 R C -2.204 174.014 176.300 -0.137 0.000 1.046 459 R CA -0.431 55.510 56.100 -0.265 0.000 0.885 459 R CB 1.399 31.632 30.300 -0.111 0.000 1.254 459 R HN -0.201 nan 8.270 nan 0.000 0.465 460 V N 4.390 124.300 119.914 -0.006 0.000 2.555 460 V HA 0.577 4.698 4.120 0.002 0.000 0.302 460 V C -0.336 175.923 176.094 0.275 0.000 1.038 460 V CA -0.663 61.680 62.300 0.072 0.000 0.887 460 V CB 1.796 33.583 31.823 -0.061 0.000 0.991 460 V HN 0.587 nan 8.190 nan 0.000 0.434 461 I N 5.200 125.915 120.570 0.242 0.000 2.465 461 I HA 0.568 4.740 4.170 0.002 0.000 0.291 461 I C -0.716 175.583 176.117 0.303 0.000 1.014 461 I CA -0.256 61.216 61.300 0.286 0.000 1.093 461 I CB 1.900 40.012 38.000 0.186 0.000 1.267 461 I HN 0.401 nan 8.210 nan 0.000 0.431 462 I N 6.593 127.405 120.570 0.404 0.000 2.647 462 I HA 0.517 4.688 4.170 0.002 0.000 0.295 462 I C -0.845 175.525 176.117 0.423 0.000 1.078 462 I CA -0.663 60.864 61.300 0.378 0.000 1.048 462 I CB 2.534 40.751 38.000 0.361 0.000 1.239 462 I HN 0.370 nan 8.210 nan 0.000 0.421 463 I N 3.755 124.532 120.570 0.345 0.000 2.447 463 I HA 0.241 4.413 4.170 0.002 0.000 0.287 463 I C -0.137 176.166 176.117 0.310 0.000 1.023 463 I CA -0.327 61.162 61.300 0.314 0.000 1.083 463 I CB 2.135 40.249 38.000 0.189 0.000 1.245 463 I HN 0.496 nan 8.210 nan 0.000 0.434 464 S N 3.026 118.930 115.700 0.340 0.000 2.541 464 S HA 0.217 4.689 4.470 0.002 0.000 0.283 464 S C 1.221 175.863 174.600 0.070 0.000 1.196 464 S CA -0.346 57.977 58.200 0.205 0.000 1.062 464 S CB 1.350 64.722 63.200 0.287 0.000 1.009 464 S HN 0.727 nan 8.310 nan 0.000 0.502 465 S N 2.568 118.228 115.700 -0.066 0.000 2.474 465 S HA -0.104 4.367 4.470 0.002 0.000 0.235 465 S C 1.496 176.080 174.600 -0.026 0.000 0.997 465 S CA 1.329 59.500 58.200 -0.048 0.000 0.949 465 S CB -0.912 62.231 63.200 -0.095 0.000 0.766 465 S HN 0.937 nan 8.310 nan 0.000 0.517 466 T N -1.922 112.619 114.554 -0.023 0.000 3.069 466 T HA 0.278 4.630 4.350 0.002 0.000 0.252 466 T C 0.259 174.993 174.700 0.056 0.000 1.053 466 T CA -0.448 61.653 62.100 0.002 0.000 0.964 466 T CB 0.007 68.862 68.868 -0.020 0.000 1.005 466 T HN 0.227 nan 8.240 nan 0.000 0.532 467 Q N 0.959 120.821 119.800 0.104 0.000 2.372 467 Q HA 0.360 4.702 4.340 0.002 0.000 0.273 467 Q C -1.409 174.649 176.000 0.096 0.000 1.078 467 Q CA -0.513 55.376 55.803 0.142 0.000 0.806 467 Q CB 2.095 31.014 28.738 0.303 0.000 1.332 467 Q HN 0.111 nan 8.270 nan 0.000 0.435 468 D N 2.016 122.442 120.400 0.044 0.000 3.179 468 D HA 0.155 4.796 4.640 0.002 0.000 0.267 468 D C -0.591 175.673 176.300 -0.059 0.000 1.348 468 D CA 0.003 54.004 54.000 0.001 0.000 0.897 468 D CB 0.255 41.053 40.800 -0.002 0.000 1.062 468 D HN 0.228 nan 8.370 nan 0.000 0.494 469 R N -0.411 120.018 120.500 -0.119 0.000 2.837 469 R HA 0.504 4.846 4.340 0.002 0.000 0.271 469 R C -0.951 175.162 176.300 -0.311 0.000 0.993 469 R CA -1.000 54.898 56.100 -0.335 0.000 0.931 469 R CB 2.190 32.031 30.300 -0.765 0.000 1.206 469 R HN -0.155 nan 8.270 nan 0.000 0.474 470 V N 2.973 122.710 119.914 -0.294 0.000 2.334 470 V HA 0.318 4.439 4.120 0.002 0.000 0.281 470 V C -0.971 174.984 176.094 -0.231 0.000 1.016 470 V CA -0.740 61.475 62.300 -0.141 0.000 0.832 470 V CB 0.704 32.502 31.823 -0.042 0.000 0.999 470 V HN 0.528 nan 8.190 nan 0.000 0.439 471 Y N 2.632 122.946 120.300 0.023 0.000 2.350 471 Y HA 0.478 5.029 4.550 0.002 0.000 0.340 471 Y C 0.810 176.611 175.900 -0.165 0.000 1.006 471 Y CA 0.103 58.134 58.100 -0.115 0.000 1.166 471 Y CB 1.636 40.090 38.460 -0.009 0.000 1.168 471 Y HN 0.554 nan 8.280 nan 0.000 0.502 472 S N 4.400 119.973 115.700 -0.212 0.000 2.478 472 S HA 0.630 5.101 4.470 0.002 0.000 0.312 472 S C -1.324 173.093 174.600 -0.305 0.000 1.094 472 S CA -0.620 57.519 58.200 -0.103 0.000 1.081 472 S CB 0.049 63.234 63.200 -0.024 0.000 1.007 472 S HN 0.439 nan 8.310 nan 0.000 0.475 473 F N 6.171 126.153 119.950 0.052 0.000 2.359 473 F HA 0.392 4.921 4.527 0.002 0.000 0.370 473 F C -2.051 173.724 175.800 -0.042 0.000 1.077 473 F CA -2.140 55.863 58.000 0.006 0.000 1.136 473 F CB 1.374 40.354 39.000 -0.033 0.000 1.387 473 F HN 0.339 nan 8.300 nan 0.000 0.468 474 P HA 0.093 nan 4.420 nan 0.000 0.275 474 P C -0.055 177.256 177.300 0.019 0.000 1.228 474 P CA -0.008 63.157 63.100 0.108 0.000 0.786 474 P CB 2.471 34.278 31.700 0.179 0.000 0.927 475 C N 2.582 121.821 119.300 -0.103 0.000 3.066 475 C HA 0.327 4.789 4.460 0.002 0.000 0.277 475 C C 0.457 175.376 174.990 -0.119 0.000 2.279 475 C CA 0.081 58.969 59.018 -0.217 0.000 1.720 475 C CB -1.304 26.168 27.740 -0.446 0.000 1.478 475 C HN 0.544 nan 8.230 nan 0.000 0.723 476 F N 2.062 121.777 119.950 -0.390 0.000 3.074 476 F HA -0.132 4.397 4.527 0.002 0.000 0.287 476 F C 0.342 175.858 175.800 -0.475 0.000 0.932 476 F CA 1.091 58.863 58.000 -0.380 0.000 0.995 476 F CB -1.371 37.605 39.000 -0.040 0.000 0.966 476 F HN 0.475 nan 8.300 nan 0.000 0.721 477 R N -2.159 117.844 120.500 -0.829 0.000 2.781 477 R HA 0.482 4.824 4.340 0.002 0.000 0.269 477 R C -1.179 174.637 176.300 -0.807 0.000 1.025 477 R CA -1.165 54.645 56.100 -0.484 0.000 0.914 477 R CB 1.008 31.302 30.300 -0.011 0.000 1.236 477 R HN 0.085 nan 8.270 nan 0.000 0.465 478 W N 0.989 122.190 121.300 -0.165 0.000 2.266 478 W HA 0.279 4.940 4.660 0.002 0.000 0.317 478 W C -0.076 176.368 176.519 -0.124 0.000 1.310 478 W CA -0.272 57.031 57.345 -0.070 0.000 1.207 478 W CB 0.746 30.271 29.460 0.109 0.000 1.199 478 W HN 0.052 nan 8.180 nan 0.000 0.544 479 V N 6.627 126.586 119.914 0.075 0.000 2.385 479 V HA 0.057 4.179 4.120 0.002 0.000 0.269 479 V C 0.869 177.067 176.094 0.173 0.000 1.043 479 V CA -0.391 61.945 62.300 0.059 0.000 0.906 479 V CB 0.443 32.252 31.823 -0.022 0.000 0.995 479 V HN 0.530 nan 8.190 nan 0.000 0.467 480 I N 4.388 125.014 120.570 0.094 0.000 3.025 480 I HA 0.167 4.339 4.170 0.002 0.000 0.236 480 I C 2.095 178.206 176.117 -0.010 0.000 1.063 480 I CA 1.525 62.856 61.300 0.052 0.000 1.476 480 I CB -1.178 36.828 38.000 0.009 0.000 1.331 480 I HN 0.644 nan 8.210 nan 0.000 0.457 481 K N -0.115 120.261 120.400 -0.040 0.000 2.410 481 K HA 0.202 4.524 4.320 0.002 0.000 0.204 481 K C 0.378 176.924 176.600 -0.090 0.000 1.268 481 K CA 0.471 56.687 56.287 -0.117 0.000 0.896 481 K CB 0.087 32.550 32.500 -0.061 0.000 1.401 481 K HN 0.331 nan 8.250 nan 0.000 0.479 482 D N -0.524 119.882 120.400 0.010 0.000 2.780 482 D HA 0.526 5.167 4.640 0.002 0.000 0.242 482 D C -1.423 174.885 176.300 0.013 0.000 1.135 482 D CA -0.476 53.562 54.000 0.064 0.000 0.859 482 D CB 1.888 42.752 40.800 0.106 0.000 1.530 482 D HN 0.211 nan 8.370 nan 0.000 0.493 483 M N 2.149 121.746 119.600 -0.006 0.000 2.224 483 M HA 0.254 4.736 4.480 0.002 0.000 0.281 483 M C -2.100 174.131 176.300 -0.115 0.000 1.025 483 M CA -0.570 54.682 55.300 -0.080 0.000 0.954 483 M CB 1.780 34.299 32.600 -0.135 0.000 1.639 483 M HN 0.046 nan 8.290 nan 0.000 0.461 484 V N 6.358 126.178 119.914 -0.156 0.000 2.498 484 V HA 0.547 4.668 4.120 0.002 0.000 0.279 484 V C -0.243 175.615 176.094 -0.394 0.000 1.048 484 V CA -0.414 61.747 62.300 -0.231 0.000 0.967 484 V CB 0.975 32.671 31.823 -0.211 0.000 0.988 484 V HN 0.827 nan 8.190 nan 0.000 0.473 485 L N 4.794 125.800 121.223 -0.361 0.000 2.370 485 L HA 0.669 5.011 4.340 0.002 0.000 0.266 485 L C -0.900 175.928 176.870 -0.069 0.000 1.002 485 L CA -0.388 54.260 54.840 -0.320 0.000 0.818 485 L CB 2.204 44.178 42.059 -0.141 0.000 1.325 485 L HN 0.454 nan 8.230 nan 0.000 0.418 486 F N 1.523 121.607 119.950 0.222 0.000 2.492 486 F HA 0.541 5.070 4.527 0.002 0.000 0.327 486 F C -2.082 173.777 175.800 0.099 0.000 1.079 486 F CA -2.337 55.786 58.000 0.205 0.000 0.967 486 F CB 1.956 40.981 39.000 0.040 0.000 1.169 486 F HN 0.201 nan 8.300 nan 0.000 0.472 487 P HA 0.413 nan 4.420 nan 0.000 0.281 487 P C 0.154 177.355 177.300 -0.164 0.000 1.249 487 P CA 0.156 62.939 63.100 -0.529 0.000 0.810 487 P CB 1.593 32.920 31.700 -0.620 0.000 1.008 488 G N 1.953 110.654 108.800 -0.165 0.000 2.527 488 G HA2 -0.163 3.798 3.960 0.002 0.000 0.227 488 G HA3 -0.163 3.798 3.960 0.002 0.000 0.227 488 G C -0.819 174.083 174.900 0.004 0.000 1.291 488 G CA -0.436 44.627 45.100 -0.062 0.000 0.904 488 G HN 0.544 nan 8.290 nan 0.000 0.577 489 E N 0.494 120.715 120.200 0.036 0.000 2.374 489 E HA 0.587 4.939 4.350 0.002 0.000 0.260 489 E C 1.029 177.672 176.600 0.072 0.000 1.101 489 E CA 0.385 56.848 56.400 0.106 0.000 0.907 489 E CB 0.827 30.616 29.700 0.148 0.000 1.014 489 E HN 1.213 nan 8.360 nan 0.000 0.427 490 A N 1.550 124.412 122.820 0.070 0.000 2.507 490 A HA 0.388 4.709 4.320 0.002 0.000 0.235 490 A C 0.097 177.596 177.584 -0.142 0.000 1.070 490 A CA 0.274 52.224 52.037 -0.145 0.000 0.768 490 A CB -0.168 18.571 19.000 -0.435 0.000 1.011 490 A HN 0.602 nan 8.150 nan 0.000 0.502 491 T N -0.143 114.247 114.554 -0.273 0.000 2.916 491 T HA 0.613 4.965 4.350 0.002 0.000 0.305 491 T C -0.381 174.014 174.700 -0.508 0.000 1.119 491 T CA -0.804 61.119 62.100 -0.295 0.000 1.008 491 T CB 0.700 69.436 68.868 -0.220 0.000 1.129 491 T HN 0.499 nan 8.240 nan 0.000 0.480 492 L N 2.785 123.630 121.223 -0.630 0.000 2.436 492 L HA 0.315 4.656 4.340 0.002 0.000 0.265 492 L C -1.031 175.460 176.870 -0.632 0.000 1.168 492 L CA -2.313 52.048 54.840 -0.798 0.000 0.815 492 L CB 0.758 42.142 42.059 -1.125 0.000 1.109 492 L HN 0.505 nan 8.230 nan 0.000 0.462 493 P HA -0.194 nan 4.420 nan 0.000 0.220 493 P C 1.170 178.390 177.300 -0.133 0.000 1.148 493 P CA 1.459 64.457 63.100 -0.171 0.000 0.803 493 P CB -0.029 31.675 31.700 0.008 0.000 0.782 494 F N -0.776 119.159 119.950 -0.026 0.000 2.780 494 F HA 0.207 4.735 4.527 0.002 0.000 0.299 494 F C 0.400 176.177 175.800 -0.038 0.000 1.146 494 F CA -1.213 56.774 58.000 -0.022 0.000 1.428 494 F CB -2.109 36.890 39.000 -0.002 0.000 1.115 494 F HN -0.246 nan 8.300 nan 0.000 0.583 495 N N 2.620 121.140 118.700 -0.300 0.000 2.458 495 N HA -0.073 4.668 4.740 0.002 0.000 0.258 495 N C -0.086 175.384 175.510 -0.066 0.000 1.219 495 N CA -0.066 52.895 53.050 -0.148 0.000 0.902 495 N CB 0.352 38.693 38.487 -0.243 0.000 1.076 495 N HN 0.365 nan 8.380 nan 0.000 0.455 496 E N 2.246 122.436 120.200 -0.016 0.000 2.415 496 E HA 0.064 4.415 4.350 0.002 0.000 0.260 496 E C -1.141 175.426 176.600 -0.055 0.000 1.016 496 E CA 0.046 56.435 56.400 -0.019 0.000 0.924 496 E CB 0.452 30.151 29.700 -0.002 0.000 0.961 496 E HN 0.150 nan 8.360 nan 0.000 0.459 497 V N 5.728 125.601 119.914 -0.069 0.000 3.087 497 V HA 0.326 4.448 4.120 0.002 0.000 0.306 497 V C -2.266 173.773 176.094 -0.092 0.000 1.187 497 V CA -1.729 60.508 62.300 -0.106 0.000 0.999 497 V CB 2.236 33.958 31.823 -0.169 0.000 1.049 497 V HN 0.780 nan 8.190 nan 0.000 0.431 498 P HA 0.173 nan 4.420 nan 0.000 0.268 498 P C 0.553 177.801 177.300 -0.087 0.000 1.208 498 P CA 0.266 63.322 63.100 -0.073 0.000 0.777 498 P CB 0.589 32.248 31.700 -0.068 0.000 0.875 499 A N 2.276 125.063 122.820 -0.056 0.000 1.940 499 A HA -0.219 4.102 4.320 0.002 0.000 0.219 499 A C 1.955 179.506 177.584 -0.055 0.000 1.176 499 A CA 1.578 53.587 52.037 -0.047 0.000 0.631 499 A CB -1.294 17.689 19.000 -0.027 0.000 0.814 499 A HN 0.581 nan 8.150 nan 0.000 0.446 500 I N -0.468 120.069 120.570 -0.056 0.000 2.394 500 I HA -0.139 4.033 4.170 0.002 0.000 0.251 500 I C 2.167 178.245 176.117 -0.065 0.000 1.136 500 I CA 1.173 62.448 61.300 -0.042 0.000 1.425 500 I CB -0.078 37.904 38.000 -0.030 0.000 1.079 500 I HN 0.108 nan 8.210 nan 0.000 0.425 501 V N -0.449 119.360 119.914 -0.174 0.000 2.323 501 V HA -0.201 3.920 4.120 0.002 0.000 0.244 501 V C 2.552 178.459 176.094 -0.312 0.000 1.041 501 V CA 1.883 63.922 62.300 -0.434 0.000 1.025 501 V CB -0.823 30.610 31.823 -0.650 0.000 0.656 501 V HN 0.393 nan 8.190 nan 0.000 0.451 502 S N -0.257 115.329 115.700 -0.190 0.000 2.365 502 S HA -0.270 4.201 4.470 0.002 0.000 0.225 502 S C 1.940 176.523 174.600 -0.028 0.000 1.039 502 S CA 1.931 60.073 58.200 -0.096 0.000 1.033 502 S CB -0.309 62.852 63.200 -0.064 0.000 0.887 502 S HN 0.689 nan 8.310 nan 0.000 0.447 503 E N 0.501 120.691 120.200 -0.017 0.000 2.077 503 E HA -0.154 4.197 4.350 0.002 0.000 0.193 503 E C 2.397 179.030 176.600 0.055 0.000 0.989 503 E CA 0.938 57.348 56.400 0.017 0.000 0.800 503 E CB -0.066 29.640 29.700 0.011 0.000 0.746 503 E HN 0.331 nan 8.360 nan 0.000 0.452 504 Q N 0.203 120.061 119.800 0.097 0.000 2.172 504 Q HA -0.089 4.252 4.340 0.002 0.000 0.200 504 Q C 2.064 178.197 176.000 0.222 0.000 0.964 504 Q CA 0.871 56.785 55.803 0.185 0.000 0.855 504 Q CB -0.183 28.747 28.738 0.320 0.000 0.918 504 Q HN 0.205 nan 8.270 nan 0.000 0.444 505 R N 0.294 120.939 120.500 0.241 0.000 2.073 505 R HA -0.168 4.173 4.340 0.002 0.000 0.234 505 R C 2.387 178.743 176.300 0.093 0.000 1.134 505 R CA 1.651 57.865 56.100 0.189 0.000 0.952 505 R CB 0.106 30.475 30.300 0.116 0.000 0.850 505 R HN 0.099 nan 8.270 nan 0.000 0.433 506 Q N -0.321 119.519 119.800 0.068 0.000 2.061 506 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 506 Q C 2.623 178.656 176.000 0.055 0.000 0.984 506 Q CA 2.302 58.138 55.803 0.055 0.000 0.846 506 Q CB -0.678 28.086 28.738 0.044 0.000 0.902 506 Q HN 0.741 nan 8.270 nan 0.000 0.421 507 K N 1.107 121.541 120.400 0.057 0.000 2.057 507 K HA -0.209 4.112 4.320 0.002 0.000 0.207 507 K C 1.851 178.479 176.600 0.047 0.000 1.049 507 K CA 1.886 58.202 56.287 0.049 0.000 0.931 507 K CB -0.871 31.657 32.500 0.047 0.000 0.714 507 K HN 0.677 nan 8.250 nan 0.000 0.440 508 E N 0.133 120.361 120.200 0.046 0.000 2.058 508 E HA -0.169 4.182 4.350 0.002 0.000 0.194 508 E C 2.129 178.756 176.600 0.045 0.000 0.997 508 E CA 1.405 57.822 56.400 0.028 0.000 0.801 508 E CB -0.189 29.509 29.700 -0.005 0.000 0.746 508 E HN 0.547 nan 8.360 nan 0.000 0.450 509 L N 0.474 121.725 121.223 0.047 0.000 2.083 509 L HA -0.176 4.165 4.340 0.002 0.000 0.209 509 L C 2.455 179.372 176.870 0.078 0.000 1.083 509 L CA 1.257 56.134 54.840 0.061 0.000 0.752 509 L CB -0.341 41.753 42.059 0.059 0.000 0.899 509 L HN 0.189 nan 8.230 nan 0.000 0.433 510 E N -0.408 119.832 120.200 0.066 0.000 2.051 510 E HA -0.290 4.061 4.350 0.002 0.000 0.192 510 E C 2.159 178.798 176.600 0.065 0.000 0.991 510 E CA 1.196 57.634 56.400 0.064 0.000 0.799 510 E CB -0.025 29.706 29.700 0.051 0.000 0.748 510 E HN 0.281 nan 8.360 nan 0.000 0.449 511 Q N 0.816 120.652 119.800 0.061 0.000 2.119 511 Q HA -0.120 4.221 4.340 0.002 0.000 0.201 511 Q C 1.914 177.970 176.000 0.093 0.000 0.972 511 Q CA 1.346 57.183 55.803 0.056 0.000 0.847 511 Q CB 0.062 28.826 28.738 0.043 0.000 0.903 511 Q HN 0.036 nan 8.270 nan 0.000 0.433 512 R N 0.432 121.021 120.500 0.148 0.000 2.103 512 R HA -0.128 4.213 4.340 0.002 0.000 0.242 512 R C 1.981 178.432 176.300 0.252 0.000 1.142 512 R CA 1.606 57.875 56.100 0.281 0.000 0.960 512 R CB -0.357 30.091 30.300 0.247 0.000 0.858 512 R HN 0.365 nan 8.270 nan 0.000 0.439 513 K N 0.368 120.858 120.400 0.150 0.000 2.365 513 K HA 0.024 4.346 4.320 0.002 0.000 0.199 513 K C 2.140 178.784 176.600 0.073 0.000 1.045 513 K CA 0.552 56.908 56.287 0.117 0.000 0.962 513 K CB 0.044 32.610 32.500 0.111 0.000 0.759 513 K HN 0.145 nan 8.250 nan 0.000 0.469 514 L N 0.065 121.316 121.223 0.048 0.000 2.162 514 L HA -0.078 4.263 4.340 0.002 0.000 0.205 514 L C 2.185 179.018 176.870 -0.062 0.000 1.086 514 L CA 1.019 55.859 54.840 0.000 0.000 0.778 514 L CB -0.277 41.779 42.059 -0.005 0.000 0.928 514 L HN 0.072 nan 8.230 nan 0.000 0.446 515 T N -1.731 112.767 114.554 -0.094 0.000 2.896 515 T HA -0.081 4.270 4.350 0.002 0.000 0.263 515 T C -0.093 174.310 174.700 -0.495 0.000 1.050 515 T CA 0.993 62.898 62.100 -0.326 0.000 1.140 515 T CB -0.122 68.490 68.868 -0.427 0.000 0.877 515 T HN 0.056 nan 8.240 nan 0.000 0.457 516 Y N 1.964 122.208 120.300 -0.093 0.000 2.464 516 Y HA 0.459 5.010 4.550 0.002 0.000 0.326 516 Y C 0.248 176.034 175.900 -0.191 0.000 0.969 516 Y CA -0.969 57.045 58.100 -0.143 0.000 1.270 516 Y CB 0.675 39.086 38.460 -0.082 0.000 1.103 516 Y HN 0.036 nan 8.280 nan 0.000 0.491 517 Q N 1.896 121.630 119.800 -0.111 0.000 2.345 517 Q HA 0.308 4.649 4.340 0.002 0.000 0.268 517 Q C -1.214 174.679 176.000 -0.177 0.000 1.054 517 Q CA -1.101 54.632 55.803 -0.116 0.000 0.835 517 Q CB 2.357 31.071 28.738 -0.041 0.000 1.339 517 Q HN 0.611 nan 8.270 nan 0.000 0.447 518 W N 1.266 122.528 121.300 -0.063 0.000 2.190 518 W HA 0.201 4.863 4.660 0.002 0.000 0.330 518 W C 0.296 176.613 176.519 -0.337 0.000 1.299 518 W CA 0.521 57.731 57.345 -0.224 0.000 1.215 518 W CB 0.692 30.052 29.460 -0.166 0.000 1.147 518 W HN 0.485 nan 8.180 nan 0.000 0.563 519 D N 0.615 120.840 120.400 -0.292 0.000 2.583 519 D HA 0.446 5.087 4.640 0.002 0.000 0.248 519 D C -1.822 174.081 176.300 -0.661 0.000 1.209 519 D CA -0.969 52.834 54.000 -0.328 0.000 0.848 519 D CB 1.526 42.257 40.800 -0.115 0.000 1.431 519 D HN 0.220 nan 8.370 nan 0.000 0.436 520 Y N 0.082 120.418 120.300 0.060 0.000 2.470 520 Y HA 0.257 4.808 4.550 0.002 0.000 0.341 520 Y C 1.040 176.938 175.900 -0.004 0.000 1.021 520 Y CA -0.909 57.203 58.100 0.021 0.000 1.025 520 Y CB 2.008 40.467 38.460 -0.002 0.000 1.266 520 Y HN 0.078 nan 8.280 nan 0.000 0.448 521 V N 1.068 121.047 119.914 0.109 0.000 2.515 521 V HA -0.104 4.018 4.120 0.002 0.000 0.250 521 V C 0.680 176.805 176.094 0.052 0.000 1.058 521 V CA 1.903 64.230 62.300 0.045 0.000 1.064 521 V CB -0.151 31.668 31.823 -0.006 0.000 0.675 521 V HN 0.829 nan 8.190 nan 0.000 0.461 522 S N -2.596 113.148 115.700 0.074 0.000 2.636 522 S HA 0.216 4.688 4.470 0.002 0.000 0.266 522 S C -0.238 174.379 174.600 0.027 0.000 1.147 522 S CA -0.323 57.902 58.200 0.042 0.000 0.815 522 S CB 1.035 64.247 63.200 0.021 0.000 1.119 522 S HN 0.031 nan 8.310 nan 0.000 0.470 523 D N 0.736 121.134 120.400 -0.005 0.000 2.309 523 D HA 0.071 4.713 4.640 0.002 0.000 0.212 523 D C 0.078 176.408 176.300 0.050 0.000 0.968 523 D CA 1.079 55.050 54.000 -0.048 0.000 0.882 523 D CB -0.143 40.630 40.800 -0.045 0.000 0.918 523 D HN 0.552 nan 8.370 nan 0.000 0.503 524 D N -0.434 120.056 120.400 0.149 0.000 2.559 524 D HA 0.098 4.740 4.640 0.002 0.000 0.234 524 D C 0.245 176.728 176.300 0.304 0.000 1.226 524 D CA -0.055 54.160 54.000 0.359 0.000 0.830 524 D CB 0.581 41.532 40.800 0.251 0.000 1.028 524 D HN 0.059 nan 8.370 nan 0.000 0.492 525 M N 1.217 120.868 119.600 0.086 0.000 2.518 525 M HA 0.351 4.832 4.480 0.002 0.000 0.300 525 M C -2.590 173.489 176.300 -0.370 0.000 1.175 525 M CA -2.371 52.777 55.300 -0.253 0.000 0.890 525 M CB 2.390 34.904 32.600 -0.143 0.000 1.710 525 M HN -0.322 nan 8.290 nan 0.000 0.453 526 P HA 0.098 nan 4.420 nan 0.000 0.267 526 P C 0.166 177.466 177.300 0.001 0.000 1.200 526 P CA -0.039 62.777 63.100 -0.474 0.000 0.772 526 P CB 0.247 31.553 31.700 -0.656 0.000 0.855 527 G N 2.737 111.663 108.800 0.210 0.000 2.432 527 G HA2 0.150 4.111 3.960 0.002 0.000 0.239 527 G HA3 0.150 4.111 3.960 0.002 0.000 0.239 527 G C 0.193 175.263 174.900 0.283 0.000 1.291 527 G CA -0.534 44.681 45.100 0.191 0.000 0.863 527 G HN 0.758 nan 8.290 nan 0.000 0.560 528 N N 1.177 119.917 118.700 0.066 0.000 2.545 528 N HA 0.364 5.105 4.740 0.002 0.000 0.289 528 N C -0.624 174.844 175.510 -0.070 0.000 1.279 528 N CA -1.012 52.049 53.050 0.019 0.000 0.824 528 N CB 2.072 40.546 38.487 -0.022 0.000 1.395 528 N HN 0.408 nan 8.380 nan 0.000 0.526 529 I N 0.147 120.663 120.570 -0.091 0.000 2.588 529 I HA 0.032 4.203 4.170 0.002 0.000 0.283 529 I C 0.610 176.657 176.117 -0.117 0.000 1.119 529 I CA -0.396 60.827 61.300 -0.129 0.000 1.419 529 I CB 0.508 38.451 38.000 -0.096 0.000 1.394 529 I HN 0.536 nan 8.210 nan 0.000 0.562 530 K N 7.054 127.380 120.400 -0.124 0.000 2.338 530 K HA 0.524 4.845 4.320 0.002 0.000 0.290 530 K C -1.157 175.372 176.600 -0.119 0.000 1.069 530 K CA -0.113 56.113 56.287 -0.103 0.000 0.941 530 K CB 0.329 32.779 32.500 -0.082 0.000 1.023 530 K HN 0.709 nan 8.250 nan 0.000 0.477 531 A N 3.225 125.981 122.820 -0.106 0.000 2.534 531 A HA 0.421 4.742 4.320 0.002 0.000 0.300 531 A C 0.050 177.580 177.584 -0.090 0.000 1.054 531 A CA -0.423 51.543 52.037 -0.118 0.000 0.858 531 A CB 1.020 19.930 19.000 -0.150 0.000 1.333 531 A HN 0.705 nan 8.150 nan 0.000 0.391 532 K N 0.608 120.961 120.400 -0.079 0.000 2.062 532 K HA 0.335 4.657 4.320 0.002 0.000 0.205 532 K C 1.097 177.666 176.600 -0.052 0.000 1.051 532 K CA 2.426 58.679 56.287 -0.056 0.000 0.941 532 K CB -0.499 31.972 32.500 -0.047 0.000 0.719 532 K HN 2.016 nan 8.250 nan 0.000 0.440 533 T N -4.999 109.518 114.554 -0.061 0.000 2.887 533 T HA 0.298 4.650 4.350 0.002 0.000 0.292 533 T C 0.754 175.422 174.700 -0.053 0.000 1.087 533 T CA -0.062 62.015 62.100 -0.039 0.000 1.009 533 T CB 1.246 70.103 68.868 -0.018 0.000 1.203 533 T HN 0.289 nan 8.240 nan 0.000 0.518 534 H N 0.435 119.429 119.070 -0.126 0.000 2.353 534 H HA -0.126 4.432 4.556 0.002 0.000 0.298 534 H C 0.741 175.983 175.328 -0.143 0.000 1.103 534 H CA 2.383 58.333 56.048 -0.165 0.000 1.293 534 H CB -0.140 29.516 29.762 -0.177 0.000 1.372 534 H HN 0.628 nan 8.280 nan 0.000 0.501 535 D N 0.286 120.661 120.400 -0.042 0.000 2.348 535 D HA -0.070 4.572 4.640 0.002 0.000 0.216 535 D C 1.371 177.571 176.300 -0.166 0.000 0.970 535 D CA 0.423 54.362 54.000 -0.102 0.000 0.889 535 D CB -0.245 40.545 40.800 -0.016 0.000 0.912 535 D HN 0.458 nan 8.370 nan 0.000 0.524 536 D N -0.075 120.227 120.400 -0.163 0.000 2.347 536 D HA -0.008 4.633 4.640 0.002 0.000 0.215 536 D C 0.806 176.964 176.300 -0.237 0.000 0.976 536 D CA 0.135 54.030 54.000 -0.175 0.000 0.884 536 D CB 0.400 41.116 40.800 -0.139 0.000 0.915 536 D HN 0.252 nan 8.370 nan 0.000 0.526 537 L N 1.702 122.742 121.223 -0.304 0.000 2.439 537 L HA 0.158 4.499 4.340 0.002 0.000 0.269 537 L C -1.987 174.672 176.870 -0.352 0.000 1.179 537 L CA -1.643 52.988 54.840 -0.348 0.000 0.828 537 L CB -0.087 41.723 42.059 -0.414 0.000 1.106 537 L HN -0.271 nan 8.230 nan 0.000 0.467 538 P HA -0.014 nan 4.420 nan 0.000 0.265 538 P C 0.154 177.278 177.300 -0.293 0.000 1.187 538 P CA 0.031 62.916 63.100 -0.357 0.000 0.766 538 P CB 0.487 31.895 31.700 -0.487 0.000 0.820 539 R N 2.473 122.812 120.500 -0.268 0.000 2.127 539 R HA -0.174 4.168 4.340 0.002 0.000 0.238 539 R C 1.190 177.423 176.300 -0.111 0.000 1.134 539 R CA 1.583 57.480 56.100 -0.338 0.000 0.975 539 R CB -0.340 29.594 30.300 -0.610 0.000 0.865 539 R HN 0.454 nan 8.270 nan 0.000 0.447 540 D N -0.403 120.031 120.400 0.056 0.000 2.221 540 D HA -0.134 4.507 4.640 0.002 0.000 0.204 540 D C 1.520 177.891 176.300 0.119 0.000 0.982 540 D CA 1.603 55.745 54.000 0.237 0.000 0.857 540 D CB 0.211 41.019 40.800 0.012 0.000 0.934 540 D HN 0.332 nan 8.370 nan 0.000 0.475 541 V N -2.414 117.444 119.914 -0.094 0.000 3.578 541 V HA 0.207 4.329 4.120 0.002 0.000 0.290 541 V C 0.655 176.712 176.094 -0.061 0.000 1.376 541 V CA -0.374 61.889 62.300 -0.062 0.000 1.083 541 V CB -0.148 31.554 31.823 -0.201 0.000 0.911 541 V HN -0.113 nan 8.190 nan 0.000 0.433 542 Q N 0.439 120.188 119.800 -0.086 0.000 2.417 542 Q HA 0.332 4.674 4.340 0.002 0.000 0.241 542 Q C -0.479 175.718 176.000 0.329 0.000 1.008 542 Q CA -0.628 55.111 55.803 -0.106 0.000 0.901 542 Q CB 0.630 29.234 28.738 -0.225 0.000 1.259 542 Q HN 0.456 nan 8.270 nan 0.000 0.489 543 F N 1.285 121.502 119.950 0.443 0.000 2.628 543 F HA -0.068 4.461 4.527 0.002 0.000 0.362 543 F C 1.223 177.220 175.800 0.328 0.000 1.148 543 F CA -0.266 57.926 58.000 0.320 0.000 1.352 543 F CB -0.093 38.995 39.000 0.147 0.000 1.081 543 F HN 0.490 nan 8.300 nan 0.000 0.605 544 T N -0.456 114.420 114.554 0.537 0.000 2.855 544 T HA -0.031 4.321 4.350 0.002 0.000 0.322 544 T C 0.896 175.754 174.700 0.264 0.000 1.088 544 T CA -0.305 61.992 62.100 0.328 0.000 1.104 544 T CB 0.415 69.389 68.868 0.177 0.000 0.996 544 T HN 0.516 nan 8.240 nan 0.000 0.549 545 D N 0.653 121.190 120.400 0.229 0.000 2.178 545 D HA -0.032 4.609 4.640 0.002 0.000 0.201 545 D C 2.028 178.403 176.300 0.125 0.000 0.980 545 D CA 1.155 55.270 54.000 0.192 0.000 0.842 545 D CB -0.034 40.900 40.800 0.224 0.000 0.948 545 D HN 0.745 nan 8.370 nan 0.000 0.472 546 E N 0.190 120.445 120.200 0.091 0.000 2.051 546 E HA -0.191 4.160 4.350 0.002 0.000 0.192 546 E C 1.780 178.385 176.600 0.009 0.000 0.991 546 E CA 0.977 57.404 56.400 0.044 0.000 0.799 546 E CB -0.010 29.704 29.700 0.023 0.000 0.748 546 E HN 0.002 nan 8.360 nan 0.000 0.449 547 K N 0.436 120.816 120.400 -0.034 0.000 2.103 547 K HA 0.050 4.372 4.320 0.002 0.000 0.204 547 K C 2.039 178.489 176.600 -0.249 0.000 1.052 547 K CA 1.274 57.412 56.287 -0.248 0.000 0.945 547 K CB -0.445 31.747 32.500 -0.514 0.000 0.722 547 K HN -0.013 nan 8.250 nan 0.000 0.443 548 S N 0.687 116.388 115.700 0.002 0.000 2.365 548 S HA -0.198 4.273 4.470 0.002 0.000 0.225 548 S C 1.943 176.631 174.600 0.147 0.000 1.039 548 S CA 1.686 59.991 58.200 0.175 0.000 1.033 548 S CB -0.370 62.941 63.200 0.185 0.000 0.887 548 S HN 0.443 nan 8.310 nan 0.000 0.447 549 R N 0.788 121.344 120.500 0.094 0.000 2.075 549 R HA -0.063 4.278 4.340 0.002 0.000 0.232 549 R C 2.513 178.851 176.300 0.064 0.000 1.126 549 R CA 1.663 57.810 56.100 0.078 0.000 0.963 549 R CB -0.581 29.758 30.300 0.064 0.000 0.858 549 R HN 0.372 nan 8.270 nan 0.000 0.435 550 S N -0.311 115.415 115.700 0.044 0.000 2.359 550 S HA -0.228 4.244 4.470 0.002 0.000 0.224 550 S C 1.807 176.439 174.600 0.054 0.000 1.035 550 S CA 1.399 59.621 58.200 0.037 0.000 1.018 550 S CB -0.510 62.697 63.200 0.012 0.000 0.876 550 S HN 0.584 nan 8.310 nan 0.000 0.448 551 Y N 1.706 121.982 120.300 -0.039 0.000 2.114 551 Y HA -0.118 4.433 4.550 0.002 0.000 0.284 551 Y C 2.478 178.409 175.900 0.052 0.000 1.143 551 Y CA 2.261 60.372 58.100 0.018 0.000 1.135 551 Y CB -0.766 37.750 38.460 0.093 0.000 0.980 551 Y HN 0.363 nan 8.280 nan 0.000 0.499 552 Q N 0.001 119.807 119.800 0.010 0.000 2.096 552 Q HA -0.220 4.122 4.340 0.002 0.000 0.204 552 Q C 2.114 178.070 176.000 -0.074 0.000 0.982 552 Q CA 2.104 57.876 55.803 -0.052 0.000 0.850 552 Q CB -0.162 28.620 28.738 0.072 0.000 0.901 552 Q HN 0.637 nan 8.270 nan 0.000 0.422 553 E N 0.038 120.228 120.200 -0.018 0.000 2.152 553 E HA -0.129 4.223 4.350 0.002 0.000 0.192 553 E C 2.181 178.803 176.600 0.037 0.000 0.983 553 E CA 1.072 57.479 56.400 0.012 0.000 0.818 553 E CB 0.013 29.736 29.700 0.038 0.000 0.758 553 E HN 0.316 nan 8.360 nan 0.000 0.467 554 S N 1.167 116.874 115.700 0.011 0.000 2.368 554 S HA -0.132 4.340 4.470 0.002 0.000 0.225 554 S C 1.990 176.653 174.600 0.105 0.000 1.030 554 S CA 0.549 58.815 58.200 0.110 0.000 0.999 554 S CB -0.096 63.048 63.200 -0.093 0.000 0.844 554 S HN 0.071 nan 8.310 nan 0.000 0.459 555 R N 1.743 122.171 120.500 -0.120 0.000 2.081 555 R HA 0.126 4.468 4.340 0.002 0.000 0.235 555 R C 2.375 178.667 176.300 -0.014 0.000 1.131 555 R CA 1.433 57.470 56.100 -0.105 0.000 0.960 555 R CB -0.738 29.415 30.300 -0.244 0.000 0.856 555 R HN 0.576 nan 8.270 nan 0.000 0.436 556 K N 0.288 120.676 120.400 -0.021 0.000 2.025 556 K HA -0.008 4.314 4.320 0.002 0.000 0.207 556 K C 2.156 178.747 176.600 -0.015 0.000 1.049 556 K CA 1.323 57.602 56.287 -0.012 0.000 0.933 556 K CB -0.188 32.304 32.500 -0.012 0.000 0.714 556 K HN 0.113 nan 8.250 nan 0.000 0.438 557 A N 1.719 124.547 122.820 0.013 0.000 1.908 557 A HA -0.184 4.137 4.320 0.002 0.000 0.218 557 A C 2.396 179.887 177.584 -0.154 0.000 1.181 557 A CA 2.011 54.012 52.037 -0.060 0.000 0.627 557 A CB -0.785 18.225 19.000 0.017 0.000 0.818 557 A HN 0.355 nan 8.150 nan 0.000 0.445 558 A N -0.228 122.622 122.820 0.050 0.000 1.883 558 A HA -0.121 4.201 4.320 0.002 0.000 0.217 558 A C 2.198 179.812 177.584 0.050 0.000 1.186 558 A CA 1.633 53.777 52.037 0.179 0.000 0.624 558 A CB -0.677 18.547 19.000 0.372 0.000 0.822 558 A HN 0.490 nan 8.150 nan 0.000 0.444 559 L N -0.621 120.612 121.223 0.017 0.000 2.046 559 L HA -0.177 4.165 4.340 0.002 0.000 0.208 559 L C 2.571 179.400 176.870 -0.068 0.000 1.077 559 L CA 1.234 56.068 54.840 -0.009 0.000 0.747 559 L CB -0.547 41.504 42.059 -0.012 0.000 0.896 559 L HN 0.279 nan 8.230 nan 0.000 0.432 560 V N 0.003 119.846 119.914 -0.119 0.000 2.307 560 V HA -0.247 3.875 4.120 0.002 0.000 0.245 560 V C 2.193 178.137 176.094 -0.251 0.000 1.045 560 V CA 1.760 63.964 62.300 -0.159 0.000 1.024 560 V CB -0.619 31.113 31.823 -0.151 0.000 0.651 560 V HN 0.486 nan 8.190 nan 0.000 0.449 561 N N 0.208 118.643 118.700 -0.442 0.000 2.142 561 N HA -0.073 4.668 4.740 0.002 0.000 0.186 561 N C 1.816 177.093 175.510 -0.389 0.000 1.023 561 N CA 1.218 53.829 53.050 -0.732 0.000 0.852 561 N CB -0.456 36.934 38.487 -1.829 0.000 0.998 561 N HN 0.368 nan 8.380 nan 0.000 0.424 562 L N 0.367 121.510 121.223 -0.132 0.000 2.012 562 L HA -0.131 4.210 4.340 0.002 0.000 0.210 562 L C 2.428 179.288 176.870 -0.017 0.000 1.073 562 L CA 1.607 56.485 54.840 0.063 0.000 0.748 562 L CB -0.898 41.229 42.059 0.115 0.000 0.891 562 L HN 0.235 nan 8.230 nan 0.000 0.431 563 G N -0.206 108.559 108.800 -0.058 0.000 2.402 563 G HA2 -0.183 3.779 3.960 0.002 0.000 0.216 563 G HA3 -0.183 3.779 3.960 0.002 0.000 0.216 563 G C 1.581 176.445 174.900 -0.060 0.000 1.162 563 G CA 0.588 45.654 45.100 -0.057 0.000 0.777 563 G HN 0.274 nan 8.290 nan 0.000 0.539 564 I N 1.176 121.692 120.570 -0.090 0.000 2.202 564 I HA -0.051 4.121 4.170 0.002 0.000 0.242 564 I C 3.104 179.207 176.117 -0.023 0.000 1.091 564 I CA 1.011 62.267 61.300 -0.073 0.000 1.368 564 I CB -0.473 37.448 38.000 -0.131 0.000 1.058 564 I HN 0.233 nan 8.210 nan 0.000 0.410 565 G N -0.311 108.464 108.800 -0.041 0.000 2.440 565 G HA2 -0.318 3.643 3.960 0.002 0.000 0.218 565 G HA3 -0.318 3.643 3.960 0.002 0.000 0.218 565 G C 1.774 176.708 174.900 0.055 0.000 1.154 565 G CA 1.158 46.282 45.100 0.041 0.000 0.767 565 G HN 0.395 nan 8.290 nan 0.000 0.552 566 S N 0.033 115.730 115.700 -0.006 0.000 2.348 566 S HA -0.048 4.424 4.470 0.002 0.000 0.221 566 S C 2.465 177.007 174.600 -0.097 0.000 1.033 566 S CA 1.276 59.436 58.200 -0.067 0.000 1.010 566 S CB -0.332 62.819 63.200 -0.081 0.000 0.891 566 S HN 0.332 nan 8.310 nan 0.000 0.442 567 L N -0.236 120.953 121.223 -0.057 0.000 2.042 567 L HA -0.085 4.256 4.340 0.002 0.000 0.210 567 L C 2.348 179.197 176.870 -0.034 0.000 1.076 567 L CA 1.863 56.665 54.840 -0.064 0.000 0.749 567 L CB -0.565 41.487 42.059 -0.011 0.000 0.893 567 L HN 0.398 nan 8.230 nan 0.000 0.432 568 F N 0.744 120.643 119.950 -0.085 0.000 2.146 568 F HA -0.206 4.324 4.527 0.004 0.000 0.298 568 F C 2.498 178.269 175.800 -0.047 0.000 1.096 568 F CA 1.740 59.712 58.000 -0.047 0.000 1.275 568 F CB -0.031 38.952 39.000 -0.027 0.000 1.008 568 F HN 0.095 nan 8.300 nan 0.000 0.480 569 T N -2.303 112.282 114.554 0.052 0.000 3.105 569 T HA 0.050 4.401 4.350 0.002 0.000 0.253 569 T C 1.707 176.281 174.700 -0.210 0.000 1.047 569 T CA 0.261 62.356 62.100 -0.008 0.000 0.944 569 T CB -0.411 68.517 68.868 0.101 0.000 1.016 569 T HN 0.410 nan 8.240 nan 0.000 0.544 570 M N 0.826 120.206 119.600 -0.368 0.000 2.089 570 M HA -0.041 4.441 4.480 0.002 0.000 0.257 570 M C 0.517 176.351 176.300 -0.776 0.000 1.071 570 M CA 2.054 56.932 55.300 -0.703 0.000 1.096 570 M CB -0.289 31.657 32.600 -1.089 0.000 1.330 570 M HN 0.403 nan 8.290 nan 0.000 0.403 571 F N -0.012 119.875 119.950 -0.104 0.000 2.647 571 F HA 0.271 4.800 4.527 0.002 0.000 0.300 571 F C 0.056 175.815 175.800 -0.068 0.000 1.106 571 F CA -0.634 57.312 58.000 -0.089 0.000 1.313 571 F CB -0.018 38.934 39.000 -0.079 0.000 1.007 571 F HN 0.027 nan 8.300 nan 0.000 0.536 572 E N 1.925 122.136 120.200 0.017 0.000 2.290 572 E HA 0.053 4.404 4.350 0.002 0.000 0.277 572 E C -0.200 176.433 176.600 0.055 0.000 1.035 572 E CA -0.402 56.056 56.400 0.098 0.000 0.873 572 E CB 0.423 30.271 29.700 0.248 0.000 1.029 572 E HN 0.371 nan 8.360 nan 0.000 0.419 573 N N 2.556 121.336 118.700 0.133 0.000 2.455 573 N HA 0.131 4.873 4.740 0.002 0.000 0.280 573 N C -1.143 174.564 175.510 0.327 0.000 1.055 573 N CA -0.682 52.439 53.050 0.118 0.000 0.961 573 N CB 0.669 39.201 38.487 0.076 0.000 1.121 573 N HN 0.257 nan 8.380 nan 0.000 0.476 574 W N 1.482 122.730 121.300 -0.086 0.000 2.365 574 W HA 0.312 4.973 4.660 0.001 0.000 0.316 574 W C 0.679 177.153 176.519 -0.076 0.000 1.164 574 W CA -0.758 56.522 57.345 -0.109 0.000 1.204 574 W CB 0.943 30.281 29.460 -0.204 0.000 1.213 574 W HN 0.776 nan 8.180 nan 0.000 0.539 575 D N -0.285 120.172 120.400 0.094 0.000 2.249 575 D HA -0.035 4.606 4.640 0.002 0.000 0.371 575 D C -0.391 175.873 176.300 -0.060 0.000 1.055 575 D CA 0.403 54.412 54.000 0.015 0.000 0.897 575 D CB 0.437 41.254 40.800 0.029 0.000 1.466 575 D HN 0.204 nan 8.370 nan 0.000 0.516 576 S N -1.127 114.510 115.700 -0.106 0.000 2.596 576 S HA 0.379 4.850 4.470 0.002 0.000 0.270 576 S C 0.386 174.947 174.600 -0.064 0.000 1.155 576 S CA -0.696 57.425 58.200 -0.132 0.000 0.827 576 S CB 0.536 63.704 63.200 -0.053 0.000 1.130 576 S HN 0.010 nan 8.310 nan 0.000 0.467 577 Y N 0.558 120.976 120.300 0.196 0.000 2.224 577 Y HA -0.110 4.442 4.550 0.004 0.000 0.289 577 Y C 1.915 177.982 175.900 0.277 0.000 1.146 577 Y CA 1.195 59.445 58.100 0.250 0.000 1.182 577 Y CB -0.232 38.481 38.460 0.421 0.000 0.983 577 Y HN 0.596 nan 8.280 nan 0.000 0.524 578 D N 0.054 120.690 120.400 0.393 0.000 2.309 578 D HA -0.145 4.497 4.640 0.002 0.000 0.212 578 D C 1.366 177.738 176.300 0.121 0.000 0.968 578 D CA 0.971 55.204 54.000 0.388 0.000 0.882 578 D CB -0.355 40.618 40.800 0.288 0.000 0.918 578 D HN 0.389 nan 8.370 nan 0.000 0.503 579 D N -0.346 119.897 120.400 -0.261 0.000 2.221 579 D HA -0.168 4.473 4.640 0.002 0.000 0.204 579 D C 1.644 177.305 176.300 -1.065 0.000 0.982 579 D CA 0.703 54.168 54.000 -0.892 0.000 0.857 579 D CB -0.293 39.437 40.800 -1.784 0.000 0.934 579 D HN 0.394 nan 8.370 nan 0.000 0.475 580 Y N 0.406 120.294 120.300 -0.687 0.000 2.439 580 Y HA -0.104 4.448 4.550 0.002 0.000 0.292 580 Y C 2.386 178.218 175.900 -0.114 0.000 1.130 580 Y CA 0.739 58.588 58.100 -0.417 0.000 1.254 580 Y CB -0.205 37.954 38.460 -0.502 0.000 1.000 580 Y HN 0.214 nan 8.280 nan 0.000 0.554 581 H N -1.001 118.194 119.070 0.208 0.000 2.457 581 H HA -0.167 4.390 4.556 0.002 0.000 0.297 581 H C 2.244 177.253 175.328 -0.531 0.000 1.092 581 H CA 1.573 57.547 56.048 -0.123 0.000 1.309 581 H CB -0.236 29.457 29.762 -0.115 0.000 1.382 581 H HN 0.347 nan 8.280 nan 0.000 0.535 582 I N 1.203 121.696 120.570 -0.128 0.000 2.454 582 I HA -0.221 3.951 4.170 0.002 0.000 0.254 582 I C 2.135 178.228 176.117 -0.040 0.000 1.156 582 I CA 0.924 62.178 61.300 -0.076 0.000 1.433 582 I CB -0.366 37.684 38.000 0.084 0.000 1.082 582 I HN 0.102 nan 8.210 nan 0.000 0.432 583 L N -0.552 120.690 121.223 0.030 0.000 2.275 583 L HA -0.169 4.173 4.340 0.002 0.000 0.215 583 L C 1.983 178.988 176.870 0.224 0.000 1.119 583 L CA 0.982 55.925 54.840 0.171 0.000 0.790 583 L CB -0.817 41.372 42.059 0.217 0.000 0.919 583 L HN 0.455 nan 8.230 nan 0.000 0.443 584 Y N -2.251 118.184 120.300 0.225 0.000 2.457 584 Y HA 0.226 4.777 4.550 0.003 0.000 0.263 584 Y C 2.317 178.401 175.900 0.307 0.000 1.164 584 Y CA -0.522 57.710 58.100 0.219 0.000 1.274 584 Y CB -0.648 37.892 38.460 0.133 0.000 1.097 584 Y HN -0.104 nan 8.280 nan 0.000 0.523 585 R N 1.993 122.579 120.500 0.144 0.000 2.092 585 R HA -0.110 4.231 4.340 0.002 0.000 0.231 585 R C 1.145 177.504 176.300 0.099 0.000 1.119 585 R CA 1.533 57.687 56.100 0.090 0.000 0.970 585 R CB -0.147 30.102 30.300 -0.084 0.000 0.864 585 R HN 0.531 nan 8.270 nan 0.000 0.440 586 N N -0.777 117.961 118.700 0.063 0.000 2.327 586 N HA -0.042 4.699 4.740 0.002 0.000 0.231 586 N C -1.232 174.087 175.510 -0.320 0.000 1.130 586 N CA -0.034 52.922 53.050 -0.157 0.000 0.845 586 N CB 0.011 38.325 38.487 -0.289 0.000 1.073 586 N HN 0.091 nan 8.380 nan 0.000 0.496 587 W N 0.223 121.497 121.300 -0.044 0.000 2.666 587 W HA 0.540 5.201 4.660 0.002 0.000 0.334 587 W C 0.113 176.622 176.519 -0.016 0.000 1.051 587 W CA -0.861 56.425 57.345 -0.098 0.000 1.224 587 W CB 1.201 30.627 29.460 -0.056 0.000 1.405 587 W HN -0.194 nan 8.180 nan 0.000 0.513 588 I N 4.779 125.459 120.570 0.182 0.000 2.278 588 I HA 0.083 4.254 4.170 0.002 0.000 0.296 588 I C 0.375 176.717 176.117 0.376 0.000 1.121 588 I CA 0.195 61.640 61.300 0.242 0.000 1.267 588 I CB 0.053 38.188 38.000 0.224 0.000 1.447 588 I HN 0.585 nan 8.210 nan 0.000 0.509 589 L N 4.398 125.799 121.223 0.297 0.000 2.858 589 L HA 0.283 4.625 4.340 0.002 0.000 0.251 589 L C 1.378 178.363 176.870 0.192 0.000 1.149 589 L CA 0.201 55.202 54.840 0.269 0.000 0.955 589 L CB 0.480 42.669 42.059 0.216 0.000 1.289 589 L HN 0.862 nan 8.230 nan 0.000 0.542 590 G N 0.327 109.230 108.800 0.171 0.000 2.132 590 G HA2 -0.044 3.917 3.960 0.002 0.000 0.234 590 G HA3 -0.044 3.917 3.960 0.002 0.000 0.234 590 G C 0.457 175.414 174.900 0.096 0.000 0.989 590 G CA -0.027 45.154 45.100 0.134 0.000 0.676 590 G HN 0.796 nan 8.290 nan 0.000 0.522 591 G N -2.197 106.657 108.800 0.090 0.000 2.348 591 G HA2 0.472 4.433 3.960 0.002 0.000 0.606 591 G HA3 0.472 4.433 3.960 0.002 0.000 0.606 591 G C -0.278 174.634 174.900 0.020 0.000 1.466 591 G CA 0.168 45.301 45.100 0.055 0.000 0.950 591 G HN 1.251 nan 8.290 nan 0.000 0.657 592 T N 3.227 117.782 114.554 0.003 0.000 2.933 592 T HA 0.360 4.712 4.350 0.002 0.000 0.306 592 T C -1.887 172.705 174.700 -0.181 0.000 1.045 592 T CA 0.426 62.464 62.100 -0.104 0.000 1.143 592 T CB 0.569 69.431 68.868 -0.009 0.000 1.003 592 T HN 0.435 nan 8.240 nan 0.000 0.540 593 P HA 0.042 nan 4.420 nan 0.000 0.262 593 P C 0.859 178.091 177.300 -0.114 0.000 1.182 593 P CA -0.055 62.925 63.100 -0.200 0.000 0.761 593 P CB 0.220 31.764 31.700 -0.260 0.000 0.795 594 N N 3.004 121.674 118.700 -0.050 0.000 2.573 594 N HA -0.095 4.646 4.740 0.002 0.000 0.187 594 N C 0.734 176.182 175.510 -0.103 0.000 1.107 594 N CA 0.452 53.461 53.050 -0.069 0.000 0.918 594 N CB -0.196 38.264 38.487 -0.043 0.000 0.966 594 N HN 0.273 nan 8.380 nan 0.000 0.448 595 M N 0.173 119.749 119.600 -0.040 0.000 2.428 595 M HA 0.231 4.712 4.480 0.002 0.000 0.239 595 M C 1.949 178.306 176.300 0.095 0.000 1.121 595 M CA -0.066 55.238 55.300 0.006 0.000 1.019 595 M CB -0.222 32.427 32.600 0.082 0.000 1.485 595 M HN 0.286 nan 8.290 nan 0.000 0.484 596 A N 1.508 124.339 122.820 0.019 0.000 1.972 596 A HA -0.171 4.151 4.320 0.002 0.000 0.219 596 A C 1.600 179.241 177.584 0.095 0.000 1.169 596 A CA 2.071 54.090 52.037 -0.030 0.000 0.635 596 A CB -0.569 18.431 19.000 0.000 0.000 0.810 596 A HN 0.567 nan 8.150 nan 0.000 0.446 597 D N -0.916 119.524 120.400 0.067 0.000 2.339 597 D HA -0.051 4.591 4.640 0.002 0.000 0.217 597 D C 1.241 177.625 176.300 0.139 0.000 1.050 597 D CA 0.697 54.743 54.000 0.078 0.000 0.856 597 D CB -0.255 40.526 40.800 -0.031 0.000 0.922 597 D HN 0.705 nan 8.370 nan 0.000 0.518 598 R N -0.267 120.293 120.500 0.101 0.000 2.519 598 R HA 0.142 4.484 4.340 0.002 0.000 0.375 598 R C 1.473 177.724 176.300 -0.082 0.000 0.926 598 R CA -0.550 55.479 56.100 -0.118 0.000 1.166 598 R CB -1.166 28.843 30.300 -0.486 0.000 1.626 598 R HN 0.140 nan 8.270 nan 0.000 0.529 599 W N 2.813 124.189 121.300 0.127 0.000 2.350 599 W HA -0.165 4.496 4.660 0.002 0.000 0.289 599 W C 0.934 177.558 176.519 0.176 0.000 1.215 599 W CA 1.562 59.022 57.345 0.192 0.000 1.236 599 W CB -0.958 28.681 29.460 0.298 0.000 1.130 599 W HN 0.244 nan 8.180 nan 0.000 0.541 600 H N 0.408 118.779 119.070 -1.165 0.000 2.547 600 H HA 0.233 4.791 4.556 0.003 0.000 0.272 600 H C -0.392 174.660 175.328 -0.460 0.000 0.989 600 H CA 0.516 55.806 56.048 -1.263 0.000 1.214 600 H CB -0.772 28.055 29.762 -1.559 0.000 1.389 600 H HN 0.208 nan 8.280 nan 0.000 0.577 601 E N 1.762 121.558 120.200 -0.673 0.000 2.229 601 E HA 0.015 4.366 4.350 0.002 0.000 0.283 601 E C 0.062 176.652 176.600 -0.018 0.000 1.030 601 E CA -0.493 55.726 56.400 -0.301 0.000 0.836 601 E CB 1.223 30.804 29.700 -0.199 0.000 1.068 601 E HN 0.125 nan 8.360 nan 0.000 0.401 602 D N 2.138 122.552 120.400 0.023 0.000 2.133 602 D HA -0.217 4.424 4.640 0.002 0.000 0.195 602 D C 1.758 178.163 176.300 0.176 0.000 0.997 602 D CA 1.151 55.243 54.000 0.153 0.000 0.840 602 D CB 0.074 40.975 40.800 0.169 0.000 0.947 602 D HN 0.349 nan 8.370 nan 0.000 0.452 603 R N -0.113 120.380 120.500 -0.012 0.000 2.083 603 R HA -0.149 4.193 4.340 0.002 0.000 0.237 603 R C 2.182 178.317 176.300 -0.276 0.000 1.137 603 R CA 1.269 57.231 56.100 -0.230 0.000 0.951 603 R CB -0.730 29.235 30.300 -0.558 0.000 0.851 603 R HN 0.329 nan 8.270 nan 0.000 0.434 604 W N -0.422 120.903 121.300 0.041 0.000 2.467 604 W HA -0.066 4.595 4.660 0.002 0.000 0.275 604 W C 2.039 178.682 176.519 0.206 0.000 1.239 604 W CA 0.026 57.404 57.345 0.054 0.000 1.266 604 W CB -0.468 28.952 29.460 -0.066 0.000 1.112 604 W HN 0.073 nan 8.180 nan 0.000 0.576 605 F N 1.145 121.253 119.950 0.263 0.000 2.102 605 F HA -0.069 4.460 4.527 0.003 0.000 0.298 605 F C 2.290 178.350 175.800 0.433 0.000 1.105 605 F CA 2.292 60.460 58.000 0.281 0.000 1.239 605 F CB -0.816 38.307 39.000 0.205 0.000 0.991 605 F HN -0.147 nan 8.300 nan 0.000 0.474 606 G N -1.274 107.852 108.800 0.544 0.000 2.418 606 G HA2 -0.356 3.605 3.960 0.002 0.000 0.217 606 G HA3 -0.356 3.605 3.960 0.002 0.000 0.217 606 G C 1.569 176.617 174.900 0.246 0.000 1.158 606 G CA 0.847 46.225 45.100 0.464 0.000 0.771 606 G HN 0.524 nan 8.290 nan 0.000 0.545 607 Y N 1.387 121.721 120.300 0.057 0.000 2.181 607 Y HA -0.247 4.305 4.550 0.002 0.000 0.284 607 Y C 2.874 178.793 175.900 0.032 0.000 1.179 607 Y CA 2.370 60.476 58.100 0.009 0.000 1.179 607 Y CB -0.053 38.462 38.460 0.092 0.000 0.973 607 Y HN 0.318 nan 8.280 nan 0.000 0.519 608 Q N -1.348 118.528 119.800 0.127 0.000 2.435 608 Q HA -0.085 4.257 4.340 0.002 0.000 0.207 608 Q C 1.520 177.324 176.000 -0.327 0.000 0.956 608 Q CA 0.664 56.422 55.803 -0.074 0.000 0.917 608 Q CB -0.182 28.476 28.738 -0.133 0.000 0.997 608 Q HN 0.514 nan 8.270 nan 0.000 0.497 609 F N -0.267 119.503 119.950 -0.299 0.000 2.661 609 F HA -0.044 4.484 4.527 0.002 0.000 0.298 609 F C 1.592 177.124 175.800 -0.447 0.000 1.137 609 F CA 0.793 58.557 58.000 -0.394 0.000 1.454 609 F CB 0.220 38.844 39.000 -0.627 0.000 1.103 609 F HN 0.035 nan 8.300 nan 0.000 0.577 610 L N -1.178 119.830 121.223 -0.358 0.000 2.388 610 L HA 0.099 4.440 4.340 0.002 0.000 0.209 610 L C 1.159 177.958 176.870 -0.118 0.000 1.061 610 L CA 0.597 55.140 54.840 -0.496 0.000 0.834 610 L CB -0.108 41.520 42.059 -0.718 0.000 1.029 610 L HN -0.011 nan 8.230 nan 0.000 0.473 611 N N -0.338 118.235 118.700 -0.212 0.000 2.160 611 N HA 0.153 4.894 4.740 0.002 0.000 0.226 611 N C 0.559 176.255 175.510 0.309 0.000 1.256 611 N CA 0.238 53.282 53.050 -0.010 0.000 0.890 611 N CB 1.468 39.801 38.487 -0.257 0.000 1.116 611 N HN 0.157 nan 8.380 nan 0.000 0.517 612 G N 0.164 109.031 108.800 0.112 0.000 2.531 612 G HA2 0.463 4.425 3.960 0.002 0.000 0.253 612 G HA3 0.463 4.425 3.960 0.002 0.000 0.253 612 G C 0.858 175.717 174.900 -0.069 0.000 1.439 612 G CA 0.251 45.426 45.100 0.125 0.000 1.056 612 G HN 0.086 nan 8.290 nan 0.000 0.555 613 A N -1.230 121.347 122.820 -0.405 0.000 2.119 613 A HA 0.115 4.437 4.320 0.002 0.000 0.216 613 A C 1.412 178.634 177.584 -0.605 0.000 1.152 613 A CA 0.754 52.359 52.037 -0.721 0.000 0.708 613 A CB -0.230 17.954 19.000 -1.360 0.000 0.805 613 A HN 0.543 nan 8.150 nan 0.000 0.460 614 N N 0.237 118.649 118.700 -0.479 0.000 2.735 614 N HA 0.150 4.892 4.740 0.002 0.000 0.312 614 N C -2.600 172.831 175.510 -0.131 0.000 1.843 614 N CA -1.039 51.904 53.050 -0.178 0.000 0.945 614 N CB 0.972 39.418 38.487 -0.069 0.000 1.299 614 N HN 0.130 nan 8.380 nan 0.000 0.489 615 P HA 0.067 nan 4.420 nan 0.000 0.249 615 P C 0.851 178.112 177.300 -0.065 0.000 1.593 615 P CA 0.217 63.198 63.100 -0.199 0.000 0.896 615 P CB -0.053 31.407 31.700 -0.400 0.000 1.581 616 V N -4.263 115.660 119.914 0.015 0.000 3.432 616 V HA 0.288 4.410 4.120 0.002 0.000 0.298 616 V C 1.478 177.642 176.094 0.117 0.000 1.464 616 V CA 0.137 62.507 62.300 0.117 0.000 1.046 616 V CB -0.203 31.715 31.823 0.158 0.000 0.887 616 V HN 0.071 nan 8.190 nan 0.000 0.441 617 I N -0.298 120.293 120.570 0.035 0.000 4.032 617 I HA 0.388 4.559 4.170 0.002 0.000 0.313 617 I C 0.844 176.906 176.117 -0.091 0.000 1.272 617 I CA -0.234 61.016 61.300 -0.083 0.000 1.307 617 I CB 1.030 38.797 38.000 -0.389 0.000 1.155 617 I HN 0.342 nan 8.210 nan 0.000 0.431 618 L N 2.301 123.483 121.223 -0.069 0.000 2.540 618 L HA 0.097 4.438 4.340 0.002 0.000 0.276 618 L C -0.446 176.432 176.870 0.014 0.000 1.212 618 L CA 1.363 56.148 54.840 -0.092 0.000 0.893 618 L CB 0.439 42.357 42.059 -0.235 0.000 1.138 618 L HN 0.104 nan 8.230 nan 0.000 0.491 619 T N 5.210 119.809 114.554 0.075 0.000 2.900 619 T HA 0.379 4.730 4.350 0.002 0.000 0.295 619 T C -0.443 174.361 174.700 0.172 0.000 1.044 619 T CA -0.751 61.420 62.100 0.119 0.000 0.995 619 T CB 1.489 70.388 68.868 0.051 0.000 1.072 619 T HN 0.591 nan 8.240 nan 0.000 0.473 620 R N 0.803 121.372 120.500 0.116 0.000 2.538 620 R HA 0.189 4.530 4.340 0.002 0.000 0.282 620 R C -0.273 175.923 176.300 -0.174 0.000 1.009 620 R CA -0.119 55.831 56.100 -0.249 0.000 1.063 620 R CB -0.001 30.182 30.300 -0.195 0.000 0.945 620 R HN 0.659 nan 8.270 nan 0.000 0.414 621 C N 5.374 124.529 119.300 -0.241 0.000 2.281 621 C HA 0.222 4.683 4.460 0.002 0.000 0.336 621 C C 0.550 175.475 174.990 -0.108 0.000 1.217 621 C CA -0.689 58.272 59.018 -0.095 0.000 1.730 621 C CB -0.172 27.550 27.740 -0.029 0.000 2.338 621 C HN 0.821 nan 8.230 nan 0.000 0.521 622 D N 2.959 123.321 120.400 -0.064 0.000 2.367 622 D HA 0.299 4.941 4.640 0.002 0.000 0.207 622 D C 0.393 176.672 176.300 -0.034 0.000 1.034 622 D CA 0.773 54.739 54.000 -0.057 0.000 0.861 622 D CB 0.694 41.468 40.800 -0.044 0.000 0.943 622 D HN 0.768 nan 8.370 nan 0.000 0.515 623 A N 0.406 123.216 122.820 -0.017 0.000 2.565 623 A HA 0.350 4.671 4.320 0.002 0.000 0.298 623 A C -1.116 176.479 177.584 0.018 0.000 1.062 623 A CA -0.682 51.351 52.037 -0.006 0.000 0.723 623 A CB 0.887 19.884 19.000 -0.004 0.000 1.282 623 A HN -0.067 nan 8.150 nan 0.000 0.400 624 L N 2.206 123.439 121.223 0.016 0.000 2.514 624 L HA 0.246 4.588 4.340 0.002 0.000 0.280 624 L C -1.812 175.106 176.870 0.080 0.000 1.223 624 L CA -0.535 54.336 54.840 0.051 0.000 0.864 624 L CB -0.475 41.572 42.059 -0.020 0.000 1.118 624 L HN 0.495 nan 8.230 nan 0.000 0.494 625 P HA 0.092 nan 4.420 nan 0.000 0.271 625 P C 0.644 178.018 177.300 0.124 0.000 1.218 625 P CA -0.212 62.968 63.100 0.132 0.000 0.780 625 P CB 0.550 32.351 31.700 0.168 0.000 0.901 626 S N 1.268 117.018 115.700 0.083 0.000 2.447 626 S HA -0.178 4.293 4.470 0.002 0.000 0.233 626 S C 1.112 175.761 174.600 0.083 0.000 1.006 626 S CA 1.202 59.440 58.200 0.063 0.000 0.957 626 S CB -1.186 62.039 63.200 0.041 0.000 0.773 626 S HN 0.683 nan 8.310 nan 0.000 0.507 627 N N -0.635 118.131 118.700 0.110 0.000 2.383 627 N HA 0.119 4.860 4.740 0.002 0.000 0.192 627 N C -0.219 175.421 175.510 0.217 0.000 1.141 627 N CA -0.286 52.836 53.050 0.120 0.000 0.851 627 N CB -0.041 38.498 38.487 0.086 0.000 0.976 627 N HN 0.351 nan 8.380 nan 0.000 0.465 628 F N 1.880 121.841 119.950 0.018 0.000 2.660 628 F HA 0.460 4.989 4.527 0.002 0.000 0.352 628 F C -2.707 173.102 175.800 0.016 0.000 1.257 628 F CA -3.345 54.666 58.000 0.017 0.000 1.200 628 F CB 1.392 40.408 39.000 0.026 0.000 1.473 628 F HN -0.017 nan 8.300 nan 0.000 0.561 629 P HA 0.108 nan 4.420 nan 0.000 0.218 629 P C -0.321 176.917 177.300 -0.102 0.000 1.793 629 P CA 0.230 63.298 63.100 -0.054 0.000 0.941 629 P CB 0.245 31.954 31.700 0.015 0.000 1.919 630 V N 1.470 121.193 119.914 -0.317 0.000 2.614 630 V HA 0.208 4.329 4.120 0.002 0.000 0.291 630 V C 1.349 177.437 176.094 -0.010 0.000 1.049 630 V CA 0.318 62.498 62.300 -0.200 0.000 1.038 630 V CB 0.708 32.203 31.823 -0.546 0.000 0.980 630 V HN 0.418 nan 8.190 nan 0.000 0.481 631 T N 0.807 115.459 114.554 0.164 0.000 2.949 631 T HA 0.325 4.677 4.350 0.002 0.000 0.287 631 T C 0.931 175.564 174.700 -0.111 0.000 1.034 631 T CA -0.781 61.260 62.100 -0.098 0.000 1.018 631 T CB 1.247 69.943 68.868 -0.287 0.000 1.135 631 T HN 0.542 nan 8.240 nan 0.000 0.532 632 N N 0.509 119.133 118.700 -0.128 0.000 2.149 632 N HA -0.151 4.591 4.740 0.002 0.000 0.188 632 N C 1.364 176.791 175.510 -0.138 0.000 1.019 632 N CA 1.304 54.282 53.050 -0.121 0.000 0.857 632 N CB -0.109 38.312 38.487 -0.110 0.000 0.997 632 N HN 0.654 nan 8.380 nan 0.000 0.426 633 E N 0.554 120.638 120.200 -0.193 0.000 2.110 633 E HA -0.133 4.218 4.350 0.002 0.000 0.193 633 E C 1.843 178.337 176.600 -0.177 0.000 0.988 633 E CA 0.885 57.159 56.400 -0.209 0.000 0.804 633 E CB -0.303 29.239 29.700 -0.263 0.000 0.745 633 E HN 0.443 nan 8.360 nan 0.000 0.458 634 H N -0.761 118.239 119.070 -0.116 0.000 2.352 634 H HA -0.066 4.492 4.556 0.002 0.000 0.299 634 H C 1.844 177.114 175.328 -0.097 0.000 1.097 634 H CA 1.861 57.843 56.048 -0.110 0.000 1.311 634 H CB -0.141 29.544 29.762 -0.128 0.000 1.377 634 H HN 0.249 nan 8.280 nan 0.000 0.504 635 V N -0.302 119.616 119.914 0.007 0.000 3.398 635 V HA 0.083 4.204 4.120 0.002 0.000 0.298 635 V C 1.571 177.602 176.094 -0.104 0.000 1.496 635 V CA 0.237 62.516 62.300 -0.034 0.000 1.044 635 V CB 0.162 31.948 31.823 -0.063 0.000 0.880 635 V HN 0.344 nan 8.190 nan 0.000 0.443 636 N N 3.150 121.771 118.700 -0.131 0.000 2.149 636 N HA -0.170 4.571 4.740 0.002 0.000 0.188 636 N C 1.697 177.107 175.510 -0.168 0.000 1.019 636 N CA 2.018 54.976 53.050 -0.154 0.000 0.857 636 N CB -0.311 38.093 38.487 -0.139 0.000 0.997 636 N HN 0.626 nan 8.380 nan 0.000 0.426 637 A N 0.329 123.009 122.820 -0.233 0.000 2.125 637 A HA -0.007 4.314 4.320 0.002 0.000 0.219 637 A C 2.259 179.770 177.584 -0.121 0.000 1.156 637 A CA 1.339 53.180 52.037 -0.326 0.000 0.671 637 A CB -0.418 18.085 19.000 -0.829 0.000 0.794 637 A HN 0.423 nan 8.150 nan 0.000 0.459 638 S N -0.845 114.857 115.700 0.003 0.000 2.486 638 S HA 0.273 4.745 4.470 0.002 0.000 0.220 638 S C 0.621 175.199 174.600 -0.036 0.000 1.011 638 S CA -0.284 57.963 58.200 0.078 0.000 0.921 638 S CB -0.153 63.101 63.200 0.089 0.000 0.785 638 S HN 0.472 nan 8.310 nan 0.000 0.517 639 L N 2.801 123.895 121.223 -0.215 0.000 2.439 639 L HA 0.245 4.586 4.340 0.002 0.000 0.269 639 L C 0.555 177.396 176.870 -0.048 0.000 1.179 639 L CA -0.072 54.551 54.840 -0.362 0.000 0.828 639 L CB 0.328 42.152 42.059 -0.392 0.000 1.106 639 L HN 0.243 nan 8.230 nan 0.000 0.467 640 D N -0.071 120.394 120.400 0.109 0.000 2.640 640 D HA 0.019 4.661 4.640 0.002 0.000 0.282 640 D C 0.749 177.114 176.300 0.108 0.000 1.558 640 D CA -0.325 53.739 54.000 0.107 0.000 0.820 640 D CB 0.158 41.028 40.800 0.117 0.000 1.243 640 D HN 0.394 nan 8.370 nan 0.000 0.456 641 R N 0.271 120.855 120.500 0.139 0.000 2.509 641 R HA 0.435 4.776 4.340 0.002 0.000 0.300 641 R C 1.083 177.426 176.300 0.071 0.000 0.985 641 R CA 0.416 56.582 56.100 0.110 0.000 1.092 641 R CB 0.820 31.219 30.300 0.165 0.000 1.237 641 R HN 0.194 nan 8.270 nan 0.000 0.546 642 G N 1.665 110.491 108.800 0.043 0.000 2.143 642 G HA2 -0.305 3.656 3.960 0.002 0.000 0.249 642 G HA3 -0.305 3.656 3.960 0.002 0.000 0.249 642 G C -0.130 174.779 174.900 0.014 0.000 0.981 642 G CA 0.208 45.320 45.100 0.020 0.000 0.665 642 G HN 0.259 nan 8.290 nan 0.000 0.528 643 K N 0.475 120.887 120.400 0.020 0.000 2.328 643 K HA 0.432 4.753 4.320 0.002 0.000 0.246 643 K C 0.486 177.067 176.600 -0.032 0.000 0.955 643 K CA -0.574 55.718 56.287 0.008 0.000 0.817 643 K CB 1.540 34.067 32.500 0.046 0.000 1.208 643 K HN 0.410 nan 8.250 nan 0.000 0.432 644 N N 1.133 119.808 118.700 -0.043 0.000 2.366 644 N HA 0.027 4.768 4.740 0.002 0.000 0.277 644 N C 0.833 176.297 175.510 -0.078 0.000 1.275 644 N CA -0.641 52.366 53.050 -0.072 0.000 0.964 644 N CB 0.642 39.089 38.487 -0.067 0.000 1.167 644 N HN 0.331 nan 8.380 nan 0.000 0.568 645 L N 1.047 122.212 121.223 -0.096 0.000 1.970 645 L HA -0.200 4.141 4.340 0.002 0.000 0.212 645 L C 1.961 178.798 176.870 -0.056 0.000 1.071 645 L CA 2.110 56.896 54.840 -0.090 0.000 0.751 645 L CB -1.104 40.897 42.059 -0.095 0.000 0.889 645 L HN 0.665 nan 8.230 nan 0.000 0.432 646 D N -1.069 119.298 120.400 -0.055 0.000 2.149 646 D HA -0.210 4.431 4.640 0.002 0.000 0.198 646 D C 2.043 178.322 176.300 -0.034 0.000 0.990 646 D CA 1.494 55.467 54.000 -0.044 0.000 0.839 646 D CB -0.223 40.550 40.800 -0.044 0.000 0.948 646 D HN 0.649 nan 8.370 nan 0.000 0.460 647 E N -0.276 119.907 120.200 -0.028 0.000 2.107 647 E HA -0.115 4.236 4.350 0.002 0.000 0.191 647 E C 2.330 178.930 176.600 0.001 0.000 0.982 647 E CA 0.624 57.015 56.400 -0.015 0.000 0.809 647 E CB 0.026 29.722 29.700 -0.007 0.000 0.756 647 E HN 0.299 nan 8.360 nan 0.000 0.459 648 E N 0.807 121.021 120.200 0.023 0.000 2.072 648 E HA -0.129 4.222 4.350 0.002 0.000 0.191 648 E C 2.170 178.792 176.600 0.035 0.000 0.985 648 E CA 0.590 57.046 56.400 0.092 0.000 0.801 648 E CB -0.114 29.676 29.700 0.150 0.000 0.750 648 E HN 0.338 nan 8.360 nan 0.000 0.452 649 I N 1.131 121.699 120.570 -0.003 0.000 2.118 649 I HA -0.348 3.823 4.170 0.002 0.000 0.241 649 I C 2.460 178.533 176.117 -0.073 0.000 1.070 649 I CA 1.502 62.775 61.300 -0.045 0.000 1.327 649 I CB -0.323 37.651 38.000 -0.043 0.000 1.034 649 I HN -0.008 nan 8.210 nan 0.000 0.405 650 K N -0.364 120.000 120.400 -0.059 0.000 2.097 650 K HA -0.190 4.132 4.320 0.002 0.000 0.206 650 K C 1.561 178.103 176.600 -0.096 0.000 1.049 650 K CA 1.314 57.562 56.287 -0.065 0.000 0.933 650 K CB -0.678 31.794 32.500 -0.046 0.000 0.717 650 K HN 0.457 nan 8.250 nan 0.000 0.442 651 D N -0.739 119.588 120.400 -0.123 0.000 2.371 651 D HA 0.015 4.656 4.640 0.002 0.000 0.221 651 D C 0.988 177.043 176.300 -0.408 0.000 0.986 651 D CA 1.001 54.855 54.000 -0.244 0.000 0.899 651 D CB 0.094 40.740 40.800 -0.256 0.000 0.902 651 D HN 0.501 nan 8.370 nan 0.000 0.530 652 G N 1.180 109.825 108.800 -0.259 0.000 2.198 652 G HA2 -0.297 3.664 3.960 0.002 0.000 0.257 652 G HA3 -0.297 3.664 3.960 0.002 0.000 0.257 652 G C 0.358 175.202 174.900 -0.093 0.000 1.042 652 G CA 0.298 45.270 45.100 -0.215 0.000 0.791 652 G HN 0.537 nan 8.290 nan 0.000 0.502 653 H N -1.183 117.937 119.070 0.084 0.000 2.594 653 H HA 0.350 4.907 4.556 0.002 0.000 0.279 653 H C 0.783 176.287 175.328 0.293 0.000 1.042 653 H CA -0.635 55.557 56.048 0.240 0.000 1.177 653 H CB 0.779 30.661 29.762 0.201 0.000 1.524 653 H HN 0.323 nan 8.280 nan 0.000 0.537 654 I N 1.320 121.945 120.570 0.092 0.000 2.404 654 I HA 0.209 4.380 4.170 0.002 0.000 0.293 654 I C -0.759 175.189 176.117 -0.282 0.000 0.992 654 I CA -0.634 60.718 61.300 0.087 0.000 1.149 654 I CB 0.829 38.873 38.000 0.073 0.000 1.315 654 I HN 0.088 nan 8.210 nan 0.000 0.446 655 Y N 5.636 126.048 120.300 0.187 0.000 2.545 655 Y HA 0.656 5.207 4.550 0.002 0.000 0.348 655 Y C -0.205 175.838 175.900 0.238 0.000 1.002 655 Y CA -0.783 57.402 58.100 0.142 0.000 1.039 655 Y CB 2.827 41.312 38.460 0.042 0.000 1.271 655 Y HN 0.435 nan 8.280 nan 0.000 0.467 656 I N 2.583 123.319 120.570 0.277 0.000 2.769 656 I HA 0.735 4.907 4.170 0.002 0.000 0.298 656 I C -1.496 174.698 176.117 0.128 0.000 1.128 656 I CA -1.122 60.333 61.300 0.257 0.000 1.031 656 I CB 1.775 39.887 38.000 0.187 0.000 1.235 656 I HN 0.477 nan 8.210 nan 0.000 0.423 657 V N 2.554 122.534 119.914 0.111 0.000 2.628 657 V HA 0.731 4.853 4.120 0.002 0.000 0.306 657 V C -1.321 174.675 176.094 -0.164 0.000 1.045 657 V CA -0.296 61.946 62.300 -0.097 0.000 0.905 657 V CB 1.683 33.457 31.823 -0.082 0.000 0.997 657 V HN 0.755 nan 8.190 nan 0.000 0.436 658 D N 2.946 123.152 120.400 -0.324 0.000 2.575 658 D HA 0.424 5.066 4.640 0.002 0.000 0.250 658 D C -0.717 175.393 176.300 -0.316 0.000 1.279 658 D CA -0.511 53.356 54.000 -0.222 0.000 0.925 658 D CB 1.485 42.212 40.800 -0.122 0.000 1.261 658 D HN 0.494 nan 8.370 nan 0.000 0.567 659 F N 2.767 122.694 119.950 -0.040 0.000 2.798 659 F HA 0.233 4.762 4.527 0.003 0.000 0.291 659 F C 2.204 178.064 175.800 0.100 0.000 1.174 659 F CA -0.334 57.673 58.000 0.013 0.000 1.392 659 F CB 0.380 39.392 39.000 0.020 0.000 0.966 659 F HN 0.324 nan 8.300 nan 0.000 0.509 660 K N 0.246 120.748 120.400 0.170 0.000 2.127 660 K HA -0.205 4.116 4.320 0.002 0.000 0.208 660 K C 2.236 178.959 176.600 0.205 0.000 1.047 660 K CA 1.372 57.747 56.287 0.147 0.000 0.927 660 K CB -0.300 32.251 32.500 0.086 0.000 0.716 660 K HN 0.294 nan 8.250 nan 0.000 0.450 661 V N 1.450 121.531 119.914 0.279 0.000 2.546 661 V HA -0.217 3.904 4.120 0.002 0.000 0.254 661 V C 1.897 178.264 176.094 0.455 0.000 1.076 661 V CA 1.566 64.070 62.300 0.340 0.000 1.087 661 V CB -0.210 31.849 31.823 0.394 0.000 0.674 661 V HN 0.355 nan 8.190 nan 0.000 0.470 662 L N -0.360 121.129 121.223 0.444 0.000 2.465 662 L HA 0.026 4.367 4.340 0.002 0.000 0.224 662 L C 0.897 177.881 176.870 0.189 0.000 1.145 662 L CA -0.004 55.021 54.840 0.307 0.000 0.834 662 L CB -0.185 41.990 42.059 0.193 0.000 0.944 662 L HN 0.120 nan 8.230 nan 0.000 0.451 663 V N 0.958 120.970 119.914 0.164 0.000 2.644 663 V HA 0.091 4.213 4.120 0.002 0.000 0.305 663 V C 1.411 177.564 176.094 0.100 0.000 1.053 663 V CA 1.248 63.602 62.300 0.090 0.000 1.186 663 V CB 0.184 32.049 31.823 0.070 0.000 0.895 663 V HN 0.632 nan 8.190 nan 0.000 0.490 664 G N 3.384 112.222 108.800 0.062 0.000 2.195 664 G HA2 -0.115 3.846 3.960 0.002 0.000 0.246 664 G HA3 -0.115 3.846 3.960 0.002 0.000 0.246 664 G C 0.474 175.434 174.900 0.099 0.000 0.984 664 G CA 0.126 45.270 45.100 0.073 0.000 0.633 664 G HN 1.666 nan 8.290 nan 0.000 0.525 665 A N 0.356 123.244 122.820 0.113 0.000 2.546 665 A HA 0.503 4.825 4.320 0.002 0.000 0.243 665 A C 0.567 178.218 177.584 0.111 0.000 1.063 665 A CA 1.377 53.483 52.037 0.115 0.000 0.757 665 A CB 0.217 19.240 19.000 0.039 0.000 0.991 665 A HN 0.941 nan 8.150 nan 0.000 0.503 666 K N 2.710 123.173 120.400 0.105 0.000 2.240 666 K HA 0.432 4.754 4.320 0.002 0.000 0.271 666 K C 0.013 176.660 176.600 0.079 0.000 1.018 666 K CA -0.174 56.167 56.287 0.091 0.000 0.874 666 K CB 0.687 33.227 32.500 0.067 0.000 1.098 666 K HN 0.762 nan 8.250 nan 0.000 0.458 667 S N 2.939 118.675 115.700 0.061 0.000 2.722 667 S HA 0.231 4.703 4.470 0.002 0.000 0.292 667 S C -0.413 174.195 174.600 0.013 0.000 1.135 667 S CA -0.858 57.365 58.200 0.037 0.000 1.003 667 S CB 0.388 63.588 63.200 0.000 0.000 1.067 667 S HN 0.582 nan 8.310 nan 0.000 0.546 668 Y N 1.029 121.277 120.300 -0.087 0.000 2.717 668 Y HA 0.357 4.908 4.550 0.002 0.000 0.330 668 Y C 1.550 177.372 175.900 -0.131 0.000 1.217 668 Y CA 1.758 59.805 58.100 -0.087 0.000 1.506 668 Y CB -0.125 38.281 38.460 -0.091 0.000 1.268 668 Y HN 1.223 nan 8.280 nan 0.000 0.561 669 G N 2.485 111.095 108.800 -0.316 0.000 2.175 669 G HA2 -0.098 3.864 3.960 0.002 0.000 0.244 669 G HA3 -0.098 3.864 3.960 0.002 0.000 0.244 669 G C 0.889 175.695 174.900 -0.158 0.000 0.982 669 G CA 0.512 45.498 45.100 -0.190 0.000 0.641 669 G HN 2.019 nan 8.290 nan 0.000 0.527 670 G N -1.257 107.454 108.800 -0.149 0.000 2.307 670 G HA2 -0.079 3.882 3.960 0.002 0.000 0.210 670 G HA3 -0.079 3.882 3.960 0.002 0.000 0.210 670 G C -1.170 173.700 174.900 -0.049 0.000 1.005 670 G CA 0.315 45.362 45.100 -0.089 0.000 0.634 670 G HN 1.105 nan 8.290 nan 0.000 0.496 671 P HA 0.443 nan 4.420 nan 0.000 0.261 671 P C -0.117 177.289 177.300 0.177 0.000 1.183 671 P CA 0.241 63.331 63.100 -0.017 0.000 0.761 671 P CB 1.314 32.768 31.700 -0.409 0.000 0.785 672 V N 5.106 125.176 119.914 0.261 0.000 2.459 672 V HA 0.248 4.369 4.120 0.002 0.000 0.295 672 V C 0.150 176.355 176.094 0.186 0.000 1.029 672 V CA -0.818 61.606 62.300 0.205 0.000 0.874 672 V CB 1.633 33.523 31.823 0.111 0.000 0.985 672 V HN 0.367 nan 8.190 nan 0.000 0.438 673 L N 4.791 126.046 121.223 0.053 0.000 2.290 673 L HA 0.694 5.036 4.340 0.002 0.000 0.284 673 L C 0.387 177.160 176.870 -0.163 0.000 1.078 673 L CA 0.760 55.438 54.840 -0.271 0.000 0.815 673 L CB 0.814 42.746 42.059 -0.212 0.000 1.162 673 L HN 0.897 nan 8.230 nan 0.000 0.435 674 E N 2.278 122.344 120.200 -0.223 0.000 2.243 674 E HA 0.282 4.634 4.350 0.002 0.000 0.260 674 E C 0.559 177.098 176.600 -0.101 0.000 0.985 674 E CA 0.107 56.444 56.400 -0.105 0.000 0.858 674 E CB 0.536 30.197 29.700 -0.065 0.000 1.210 674 E HN 0.782 nan 8.360 nan 0.000 0.411 675 D N -0.454 119.920 120.400 -0.044 0.000 2.265 675 D HA -0.191 4.451 4.640 0.002 0.000 0.208 675 D C 1.630 177.910 176.300 -0.034 0.000 0.977 675 D CA 1.745 55.730 54.000 -0.025 0.000 0.871 675 D CB -0.578 40.222 40.800 0.000 0.000 0.925 675 D HN 0.653 nan 8.370 nan 0.000 0.485 676 I N -4.118 116.426 120.570 -0.043 0.000 3.030 676 I HA 0.423 4.594 4.170 0.002 0.000 0.270 676 I C 1.443 177.520 176.117 -0.066 0.000 1.211 676 I CA 0.414 61.693 61.300 -0.034 0.000 1.479 676 I CB 0.217 38.208 38.000 -0.014 0.000 1.105 676 I HN 0.218 nan 8.210 nan 0.000 0.447 677 G N 0.340 109.057 108.800 -0.139 0.000 2.254 677 G HA2 -0.043 3.918 3.960 0.002 0.000 0.193 677 G HA3 -0.043 3.918 3.960 0.002 0.000 0.193 677 G C -0.984 173.710 174.900 -0.344 0.000 1.233 677 G CA -0.469 44.490 45.100 -0.234 0.000 1.290 677 G HN 0.212 nan 8.290 nan 0.000 0.517 690 D N 1.753 122.185 120.400 0.052 0.000 2.402 690 D HA 0.487 5.128 4.640 0.002 0.000 0.235 690 D C -0.607 175.762 176.300 0.115 0.000 1.226 690 D CA 0.458 54.492 54.000 0.057 0.000 0.918 690 D CB -0.194 40.651 40.800 0.076 0.000 1.043 690 D HN 0.397 nan 8.370 nan 0.000 0.506 691 I N 4.223 124.804 120.570 0.019 0.000 2.439 691 I HA 0.366 4.538 4.170 0.002 0.000 0.285 691 I C 0.371 176.391 176.117 -0.162 0.000 1.021 691 I CA -0.780 60.486 61.300 -0.057 0.000 1.091 691 I CB 1.546 39.515 38.000 -0.052 0.000 1.242 691 I HN 0.008 nan 8.210 nan 0.000 0.439 692 R N 4.930 125.269 120.500 -0.268 0.000 2.787 692 R HA 0.743 5.085 4.340 0.002 0.000 0.271 692 R C -1.627 174.377 176.300 -0.493 0.000 0.993 692 R CA -0.940 55.024 56.100 -0.226 0.000 0.993 692 R CB 2.183 32.433 30.300 -0.082 0.000 1.155 692 R HN 0.372 nan 8.270 nan 0.000 0.486 693 Y N -0.746 119.557 120.300 0.005 0.000 2.553 693 Y HA 0.504 5.056 4.550 0.002 0.000 0.347 693 Y C -0.103 175.961 175.900 0.273 0.000 1.019 693 Y CA -0.647 57.522 58.100 0.116 0.000 1.032 693 Y CB 2.095 40.665 38.460 0.183 0.000 1.284 693 Y HN 0.539 nan 8.280 nan 0.000 0.466 694 C N 0.898 120.573 119.300 0.625 0.000 3.256 694 C HA 1.000 5.461 4.460 0.002 0.000 0.361 694 C C -0.829 174.514 174.990 0.587 0.000 1.665 694 C CA -0.105 59.205 59.018 0.486 0.000 1.445 694 C CB 1.228 29.102 27.740 0.224 0.000 2.144 694 C HN 1.017 nan 8.230 nan 0.000 0.448 695 A N -0.124 122.906 122.820 0.350 0.000 2.602 695 A HA 0.866 5.188 4.320 0.002 0.000 0.290 695 A C -1.179 176.472 177.584 0.112 0.000 1.114 695 A CA 0.231 52.386 52.037 0.196 0.000 0.683 695 A CB 0.858 20.001 19.000 0.238 0.000 1.281 695 A HN 1.953 nan 8.150 nan 0.000 0.416 696 A N 1.368 124.236 122.820 0.080 0.000 3.064 696 A HA 0.708 5.029 4.320 0.002 0.000 0.339 696 A C -2.896 174.770 177.584 0.136 0.000 1.078 696 A CA -1.390 50.729 52.037 0.137 0.000 0.869 696 A CB -0.250 18.820 19.000 0.118 0.000 1.067 696 A HN 0.410 nan 8.150 nan 0.000 0.480 697 P HA 0.538 nan 4.420 nan 0.000 0.276 697 P C -0.663 176.693 177.300 0.094 0.000 1.252 697 P CA -0.301 62.873 63.100 0.124 0.000 0.802 697 P CB 0.889 32.680 31.700 0.152 0.000 1.035 698 L N 0.655 121.779 121.223 -0.165 0.000 2.334 698 L HA 0.827 5.168 4.340 0.002 0.000 0.273 698 L C 0.039 176.659 176.870 -0.417 0.000 1.013 698 L CA -0.503 54.056 54.840 -0.468 0.000 0.816 698 L CB 1.668 43.011 42.059 -1.194 0.000 1.278 698 L HN 0.374 nan 8.230 nan 0.000 0.431 699 A N 2.242 124.942 122.820 -0.201 0.000 2.488 699 A HA 0.809 5.130 4.320 0.002 0.000 0.298 699 A C -1.790 175.843 177.584 0.081 0.000 1.044 699 A CA -0.411 51.625 52.037 -0.002 0.000 0.693 699 A CB 1.475 20.476 19.000 0.002 0.000 1.272 699 A HN 0.519 nan 8.150 nan 0.000 0.402 700 L N 1.702 122.977 121.223 0.087 0.000 2.325 700 L HA 0.900 5.241 4.340 0.002 0.000 0.278 700 L C -1.398 175.346 176.870 -0.210 0.000 1.023 700 L CA -0.223 54.700 54.840 0.138 0.000 0.811 700 L CB 1.064 43.246 42.059 0.204 0.000 1.249 700 L HN 0.615 nan 8.230 nan 0.000 0.431 701 F N 3.478 123.537 119.950 0.182 0.000 2.588 701 F HA 0.490 5.018 4.527 0.002 0.000 0.314 701 F C -1.103 174.869 175.800 0.287 0.000 1.069 701 F CA -0.599 57.512 58.000 0.185 0.000 0.931 701 F CB 1.735 40.782 39.000 0.079 0.000 1.260 701 F HN 0.339 nan 8.300 nan 0.000 0.465 702 Y N 1.347 121.825 120.300 0.297 0.000 2.406 702 Y HA 0.672 5.223 4.550 0.002 0.000 0.340 702 Y C -1.473 174.536 175.900 0.182 0.000 0.975 702 Y CA -1.477 56.759 58.100 0.226 0.000 1.056 702 Y CB 1.499 40.039 38.460 0.134 0.000 1.210 702 Y HN 0.339 nan 8.280 nan 0.000 0.448 703 V N 7.839 127.573 119.914 -0.299 0.000 2.370 703 V HA 0.116 4.237 4.120 0.002 0.000 0.257 703 V C 0.103 175.568 176.094 -1.048 0.000 1.064 703 V CA -0.483 61.531 62.300 -0.477 0.000 0.975 703 V CB -0.794 30.899 31.823 -0.218 0.000 1.067 703 V HN 0.833 nan 8.190 nan 0.000 0.485 704 N N 5.155 123.363 118.700 -0.821 0.000 2.322 704 N HA 0.253 4.995 4.740 0.002 0.000 0.270 704 N C 1.292 176.546 175.510 -0.426 0.000 1.286 704 N CA 0.121 52.763 53.050 -0.680 0.000 0.948 704 N CB 0.471 38.823 38.487 -0.225 0.000 1.164 704 N HN 0.312 nan 8.380 nan 0.000 0.551 705 K N -0.505 119.754 120.400 -0.235 0.000 2.147 705 K HA 0.013 4.334 4.320 0.002 0.000 0.205 705 K C 2.084 178.549 176.600 -0.226 0.000 1.049 705 K CA 1.890 58.065 56.287 -0.187 0.000 0.936 705 K CB -1.271 31.176 32.500 -0.088 0.000 0.722 705 K HN 0.374 nan 8.250 nan 0.000 0.446 706 L N -0.459 120.573 121.223 -0.318 0.000 2.552 706 L HA 0.293 4.634 4.340 0.002 0.000 0.227 706 L C 2.073 178.687 176.870 -0.427 0.000 1.146 706 L CA 0.811 55.395 54.840 -0.427 0.000 0.858 706 L CB -1.030 40.609 42.059 -0.700 0.000 0.969 706 L HN 0.991 nan 8.230 nan 0.000 0.451 707 G N -1.433 107.161 108.800 -0.344 0.000 2.132 707 G HA2 -0.259 3.703 3.960 0.002 0.000 0.234 707 G HA3 -0.259 3.703 3.960 0.002 0.000 0.234 707 G C -0.008 174.846 174.900 -0.078 0.000 0.989 707 G CA 0.027 45.008 45.100 -0.197 0.000 0.676 707 G HN 0.655 nan 8.290 nan 0.000 0.522 708 H N -0.895 118.073 119.070 -0.169 0.000 2.527 708 H HA 0.477 5.035 4.556 0.002 0.000 0.321 708 H C 0.072 175.312 175.328 -0.147 0.000 1.087 708 H CA -1.001 54.953 56.048 -0.156 0.000 1.337 708 H CB 1.862 31.528 29.762 -0.161 0.000 1.440 708 H HN 0.148 nan 8.280 nan 0.000 0.490 709 L N 4.734 125.965 121.223 0.012 0.000 2.342 709 L HA 0.137 4.478 4.340 0.002 0.000 0.285 709 L C -0.800 176.174 176.870 0.175 0.000 1.095 709 L CA 0.060 54.911 54.840 0.018 0.000 0.843 709 L CB 0.021 42.014 42.059 -0.109 0.000 1.201 709 L HN 0.587 nan 8.230 nan 0.000 0.445 710 M N 7.527 127.269 119.600 0.237 0.000 2.336 710 M HA 0.449 4.931 4.480 0.002 0.000 0.342 710 M C -2.395 174.125 176.300 0.367 0.000 1.128 710 M CA -2.329 53.146 55.300 0.291 0.000 1.016 710 M CB 1.410 34.147 32.600 0.229 0.000 1.665 710 M HN 0.306 nan 8.290 nan 0.000 0.445 711 P HA 0.185 nan 4.420 nan 0.000 0.276 711 P C 0.356 177.707 177.300 0.086 0.000 1.264 711 P CA 0.062 63.212 63.100 0.084 0.000 0.769 711 P CB 0.112 32.045 31.700 0.388 0.000 0.840 712 I N 0.882 121.426 120.570 -0.043 0.000 4.139 712 I HA 0.566 4.738 4.170 0.002 0.000 0.320 712 I C 0.346 176.406 176.117 -0.094 0.000 1.290 712 I CA -0.223 61.035 61.300 -0.070 0.000 1.253 712 I CB 0.553 38.549 38.000 -0.006 0.000 1.122 712 I HN 0.150 nan 8.210 nan 0.000 0.421 713 A N 1.573 124.404 122.820 0.019 0.000 2.540 713 A HA 0.806 5.128 4.320 0.002 0.000 0.297 713 A C -1.268 176.510 177.584 0.324 0.000 1.056 713 A CA -0.332 51.780 52.037 0.125 0.000 0.700 713 A CB 1.313 20.311 19.000 -0.002 0.000 1.280 713 A HN 0.240 nan 8.150 nan 0.000 0.398 714 I N 1.352 122.189 120.570 0.446 0.000 2.499 714 I HA 0.410 4.581 4.170 0.002 0.000 0.288 714 I C -0.301 176.112 176.117 0.493 0.000 1.048 714 I CA -0.303 61.247 61.300 0.418 0.000 1.062 714 I CB 2.289 40.484 38.000 0.325 0.000 1.238 714 I HN 0.785 nan 8.210 nan 0.000 0.426 715 Q N 5.669 125.686 119.800 0.362 0.000 2.348 715 Q HA 0.462 4.804 4.340 0.002 0.000 0.265 715 Q C 0.364 176.469 176.000 0.175 0.000 0.998 715 Q CA -0.482 55.503 55.803 0.303 0.000 0.831 715 Q CB 1.747 30.646 28.738 0.268 0.000 1.251 715 Q HN 0.729 nan 8.270 nan 0.000 0.456 716 I N 2.258 122.958 120.570 0.216 0.000 2.361 716 I HA -0.159 4.012 4.170 0.002 0.000 0.251 716 I C 0.753 176.885 176.117 0.024 0.000 1.133 716 I CA 0.852 62.202 61.300 0.083 0.000 1.413 716 I CB -0.031 37.933 38.000 -0.059 0.000 1.073 716 I HN 0.567 nan 8.210 nan 0.000 0.424 717 N N -0.959 117.755 118.700 0.022 0.000 3.038 717 N HA 0.207 4.948 4.740 0.002 0.000 0.307 717 N C 0.341 175.857 175.510 0.010 0.000 1.441 717 N CA -0.542 52.505 53.050 -0.005 0.000 0.772 717 N CB 1.241 39.695 38.487 -0.056 0.000 1.651 717 N HN -0.109 nan 8.380 nan 0.000 0.593 718 Q N 0.509 120.312 119.800 0.006 0.000 2.137 718 Q HA -0.019 4.322 4.340 0.002 0.000 0.198 718 Q C -0.151 175.866 176.000 0.029 0.000 0.960 718 Q CA 1.079 56.892 55.803 0.016 0.000 0.847 718 Q CB -0.039 28.712 28.738 0.021 0.000 0.915 718 Q HN 0.541 nan 8.270 nan 0.000 0.448 719 E N 2.339 122.553 120.200 0.024 0.000 2.081 719 E HA 0.172 4.524 4.350 0.002 0.000 0.281 719 E C -2.389 174.232 176.600 0.036 0.000 0.986 719 E CA -2.512 53.906 56.400 0.029 0.000 0.796 719 E CB 1.095 30.805 29.700 0.016 0.000 1.085 719 E HN -0.070 nan 8.360 nan 0.000 0.398 720 P HA 0.404 nan 4.420 nan 0.000 0.272 720 P C -0.160 177.154 177.300 0.024 0.000 1.240 720 P CA -0.187 62.943 63.100 0.051 0.000 0.791 720 P CB 1.287 33.030 31.700 0.071 0.000 0.978 721 G N 0.266 109.070 108.800 0.007 0.000 2.320 721 G HA2 0.245 4.206 3.960 0.002 0.000 0.297 721 G HA3 0.245 4.206 3.960 0.002 0.000 0.297 721 G C -2.719 172.162 174.900 -0.030 0.000 1.344 721 G CA -0.670 44.426 45.100 -0.006 0.000 0.851 721 G HN 0.210 nan 8.290 nan 0.000 0.567 722 P HA 0.042 nan 4.420 nan 0.000 0.223 722 P C 0.806 178.078 177.300 -0.047 0.000 1.151 722 P CA 1.091 64.161 63.100 -0.051 0.000 0.787 722 P CB 0.370 32.050 31.700 -0.033 0.000 0.788 723 E N -0.767 119.423 120.200 -0.016 0.000 2.479 723 E HA 0.027 4.379 4.350 0.002 0.000 0.193 723 E C 0.302 176.917 176.600 0.025 0.000 1.049 723 E CA 0.043 56.449 56.400 0.009 0.000 0.870 723 E CB -0.193 29.518 29.700 0.018 0.000 0.944 723 E HN 0.114 nan 8.360 nan 0.000 0.492 724 N N 1.046 119.749 118.700 0.005 0.000 2.697 724 N HA 0.102 4.844 4.740 0.002 0.000 0.253 724 N C -2.826 172.673 175.510 -0.018 0.000 1.604 724 N CA -1.689 51.383 53.050 0.037 0.000 0.772 724 N CB 0.784 39.291 38.487 0.034 0.000 1.267 724 N HN -0.132 nan 8.380 nan 0.000 0.510 725 P HA 0.293 nan 4.420 nan 0.000 0.289 725 P C -0.155 176.920 177.300 -0.374 0.000 1.299 725 P CA -0.387 62.503 63.100 -0.351 0.000 0.766 725 P CB 1.540 32.861 31.700 -0.631 0.000 1.226 726 I N -0.193 120.145 120.570 -0.386 0.000 2.342 726 I HA 0.199 4.371 4.170 0.002 0.000 0.291 726 I C -0.174 175.738 176.117 -0.342 0.000 1.010 726 I CA -0.331 60.794 61.300 -0.291 0.000 1.308 726 I CB 0.253 37.957 38.000 -0.493 0.000 1.400 726 I HN 0.248 nan 8.210 nan 0.000 0.488 727 W N 4.999 126.332 121.300 0.055 0.000 2.551 727 W HA 0.631 5.292 4.660 0.002 0.000 0.330 727 W C 0.297 176.863 176.519 0.079 0.000 1.063 727 W CA -0.443 56.982 57.345 0.133 0.000 1.222 727 W CB 1.614 31.244 29.460 0.282 0.000 1.349 727 W HN 0.420 nan 8.180 nan 0.000 0.536 728 T N -1.693 112.877 114.554 0.026 0.000 2.865 728 T HA 0.432 4.783 4.350 0.002 0.000 0.294 728 T C -2.227 171.638 174.700 -1.392 0.000 1.119 728 T CA -2.170 59.578 62.100 -0.588 0.000 1.007 728 T CB 2.154 70.851 68.868 -0.285 0.000 1.225 728 T HN 0.132 nan 8.240 nan 0.000 0.515 729 P HA 0.011 nan 4.420 nan 0.000 0.231 729 P C 0.328 176.965 177.300 -1.105 0.000 1.158 729 P CA 1.009 62.877 63.100 -2.054 0.000 0.763 729 P CB -0.431 30.441 31.700 -1.380 0.000 0.805 730 H N -1.169 117.626 119.070 -0.459 0.000 2.524 730 H HA 0.191 4.748 4.556 0.002 0.000 0.299 730 H C 0.517 175.769 175.328 -0.127 0.000 1.074 730 H CA -0.495 55.418 56.048 -0.224 0.000 1.115 730 H CB -0.226 29.432 29.762 -0.173 0.000 1.522 730 H HN -0.009 nan 8.280 nan 0.000 0.543 731 E N 1.097 121.267 120.200 -0.050 0.000 2.437 731 E HA -0.063 4.289 4.350 0.002 0.000 0.263 731 E C 1.374 178.016 176.600 0.071 0.000 1.030 731 E CA 0.694 57.142 56.400 0.080 0.000 0.934 731 E CB 0.650 30.475 29.700 0.208 0.000 0.943 731 E HN 0.768 nan 8.360 nan 0.000 0.444 732 E N 3.062 123.311 120.200 0.081 0.000 2.107 732 E HA -0.165 4.186 4.350 0.002 0.000 0.191 732 E C 0.850 177.492 176.600 0.070 0.000 0.982 732 E CA 1.038 57.476 56.400 0.062 0.000 0.809 732 E CB -0.153 29.581 29.700 0.056 0.000 0.756 732 E HN 0.335 nan 8.360 nan 0.000 0.459 733 N N 0.509 119.276 118.700 0.111 0.000 2.469 733 N HA 0.303 5.044 4.740 0.002 0.000 0.239 733 N C 0.897 176.466 175.510 0.098 0.000 1.053 733 N CA 0.839 53.958 53.050 0.115 0.000 0.937 733 N CB 1.080 39.675 38.487 0.181 0.000 1.163 733 N HN 0.332 nan 8.380 nan 0.000 0.509 734 E N 2.933 123.120 120.200 -0.023 0.000 2.085 734 E HA -0.230 4.121 4.350 0.002 0.000 0.194 734 E C 1.181 177.782 176.600 0.002 0.000 0.994 734 E CA 1.577 57.952 56.400 -0.041 0.000 0.801 734 E CB -1.006 28.605 29.700 -0.148 0.000 0.743 734 E HN 0.751 nan 8.360 nan 0.000 0.453 735 H N 0.664 119.821 119.070 0.145 0.000 2.457 735 H HA -0.071 4.487 4.556 0.003 0.000 0.297 735 H C 1.604 176.986 175.328 0.091 0.000 1.092 735 H CA 1.445 57.574 56.048 0.135 0.000 1.309 735 H CB -0.120 29.729 29.762 0.145 0.000 1.382 735 H HN 0.447 nan 8.280 nan 0.000 0.535 736 D N 0.128 120.657 120.400 0.215 0.000 2.144 736 D HA -0.159 4.483 4.640 0.002 0.000 0.200 736 D C 2.147 178.473 176.300 0.044 0.000 0.978 736 D CA 0.472 54.541 54.000 0.113 0.000 0.833 736 D CB -0.478 40.531 40.800 0.347 0.000 0.961 736 D HN 0.515 nan 8.370 nan 0.000 0.470 737 W N 0.663 121.938 121.300 -0.041 0.000 2.381 737 W HA -0.192 4.469 4.660 0.002 0.000 0.301 737 W C 1.999 178.369 176.519 -0.247 0.000 1.205 737 W CA 0.470 57.749 57.345 -0.109 0.000 1.285 737 W CB -0.112 29.288 29.460 -0.099 0.000 1.133 737 W HN -0.074 nan 8.180 nan 0.000 0.521 738 M N 1.129 120.548 119.600 -0.302 0.000 2.086 738 M HA -0.244 4.237 4.480 0.002 0.000 0.261 738 M C 2.301 178.159 176.300 -0.737 0.000 1.067 738 M CA 2.166 57.095 55.300 -0.619 0.000 1.116 738 M CB -1.026 31.415 32.600 -0.265 0.000 1.348 738 M HN 0.029 nan 8.290 nan 0.000 0.407 739 M N 0.103 119.537 119.600 -0.277 0.000 2.108 739 M HA -0.070 4.411 4.480 0.002 0.000 0.261 739 M C 2.033 178.256 176.300 -0.128 0.000 1.066 739 M CA 2.136 57.398 55.300 -0.064 0.000 1.107 739 M CB -0.912 31.719 32.600 0.052 0.000 1.356 739 M HN 0.367 nan 8.290 nan 0.000 0.406 740 A N -0.151 122.445 122.820 -0.374 0.000 1.883 740 A HA -0.230 4.092 4.320 0.002 0.000 0.217 740 A C 2.175 179.561 177.584 -0.330 0.000 1.186 740 A CA 2.106 53.914 52.037 -0.382 0.000 0.624 740 A CB -0.710 18.010 19.000 -0.466 0.000 0.822 740 A HN 0.600 nan 8.150 nan 0.000 0.444 741 K N -1.142 118.825 120.400 -0.721 0.000 2.097 741 K HA -0.101 4.220 4.320 0.002 0.000 0.206 741 K C 1.736 178.213 176.600 -0.205 0.000 1.049 741 K CA 1.587 57.438 56.287 -0.725 0.000 0.933 741 K CB -0.406 31.224 32.500 -1.451 0.000 0.717 741 K HN 0.620 nan 8.250 nan 0.000 0.442 742 F N -0.516 119.323 119.950 -0.186 0.000 2.134 742 F HA -0.215 4.313 4.527 0.002 0.000 0.299 742 F C 2.141 177.812 175.800 -0.215 0.000 1.097 742 F CA 0.533 58.418 58.000 -0.192 0.000 1.264 742 F CB -0.366 38.456 39.000 -0.298 0.000 1.001 742 F HN 0.124 nan 8.300 nan 0.000 0.479 743 W N 0.033 121.386 121.300 0.088 0.000 2.338 743 W HA -0.215 4.445 4.660 0.001 0.000 0.304 743 W C 2.328 178.856 176.519 0.016 0.000 1.212 743 W CA 0.544 57.909 57.345 0.033 0.000 1.264 743 W CB -0.746 28.702 29.460 -0.020 0.000 1.142 743 W HN -0.012 nan 8.180 nan 0.000 0.512 744 L N 0.888 122.258 121.223 0.246 0.000 2.017 744 L HA -0.024 4.317 4.340 0.002 0.000 0.208 744 L C 2.385 179.321 176.870 0.111 0.000 1.073 744 L CA 2.558 57.514 54.840 0.192 0.000 0.745 744 L CB -1.482 40.792 42.059 0.358 0.000 0.894 744 L HN 0.026 nan 8.230 nan 0.000 0.432 745 G N -1.132 107.789 108.800 0.202 0.000 2.476 745 G HA2 -0.290 3.672 3.960 0.002 0.000 0.218 745 G HA3 -0.290 3.672 3.960 0.002 0.000 0.218 745 G C 1.705 176.626 174.900 0.036 0.000 1.164 745 G CA 1.114 46.292 45.100 0.129 0.000 0.768 745 G HN 0.355 nan 8.290 nan 0.000 0.560 746 V N 1.178 121.092 119.914 0.001 0.000 2.490 746 V HA -0.004 4.117 4.120 0.002 0.000 0.250 746 V C 3.162 179.240 176.094 -0.027 0.000 1.061 746 V CA 2.345 64.629 62.300 -0.027 0.000 1.064 746 V CB -0.552 31.214 31.823 -0.095 0.000 0.670 746 V HN 0.467 nan 8.190 nan 0.000 0.461 747 A N -0.788 121.972 122.820 -0.100 0.000 1.877 747 A HA -0.261 4.060 4.320 0.002 0.000 0.216 747 A C 2.259 179.604 177.584 -0.399 0.000 1.186 747 A CA 1.948 53.805 52.037 -0.300 0.000 0.620 747 A CB -0.701 17.952 19.000 -0.577 0.000 0.822 747 A HN 0.658 nan 8.150 nan 0.000 0.443 748 E N -0.047 119.877 120.200 -0.461 0.000 2.085 748 E HA -0.165 4.186 4.350 0.002 0.000 0.194 748 E C 2.205 178.932 176.600 0.212 0.000 0.994 748 E CA 1.436 57.781 56.400 -0.091 0.000 0.801 748 E CB -0.090 29.617 29.700 0.011 0.000 0.743 748 E HN 0.565 nan 8.360 nan 0.000 0.453 749 S N 0.774 116.584 115.700 0.182 0.000 2.359 749 S HA -0.159 4.313 4.470 0.002 0.000 0.224 749 S C 1.678 176.434 174.600 0.260 0.000 1.035 749 S CA 1.598 59.992 58.200 0.324 0.000 1.018 749 S CB -0.367 63.000 63.200 0.279 0.000 0.876 749 S HN 0.323 nan 8.310 nan 0.000 0.448 750 N N 0.607 119.390 118.700 0.138 0.000 2.171 750 N HA 0.045 4.786 4.740 0.002 0.000 0.184 750 N C 1.448 177.058 175.510 0.168 0.000 1.021 750 N CA 0.886 53.974 53.050 0.063 0.000 0.854 750 N CB -0.338 38.102 38.487 -0.079 0.000 0.994 750 N HN 0.382 nan 8.380 nan 0.000 0.426 751 F N 1.256 121.288 119.950 0.137 0.000 2.095 751 F HA -0.261 4.267 4.527 0.002 0.000 0.298 751 F C 2.640 178.650 175.800 0.350 0.000 1.104 751 F CA 1.655 59.883 58.000 0.381 0.000 1.232 751 F CB -0.297 39.037 39.000 0.557 0.000 0.987 751 F HN 0.249 nan 8.300 nan 0.000 0.475 752 H N 0.174 119.548 119.070 0.507 0.000 2.293 752 H HA -0.167 4.390 4.556 0.002 0.000 0.300 752 H C 2.015 177.472 175.328 0.214 0.000 1.082 752 H CA 2.195 58.440 56.048 0.329 0.000 1.308 752 H CB -0.372 29.519 29.762 0.215 0.000 1.375 752 H HN 0.431 nan 8.280 nan 0.000 0.495 753 Q N 0.088 119.853 119.800 -0.058 0.000 2.079 753 Q HA -0.068 4.274 4.340 0.002 0.000 0.200 753 Q C 2.763 178.727 176.000 -0.061 0.000 0.974 753 Q CA 1.414 57.136 55.803 -0.135 0.000 0.840 753 Q CB 0.269 28.996 28.738 -0.019 0.000 0.898 753 Q HN 0.472 nan 8.270 nan 0.000 0.430 754 L N -0.191 121.058 121.223 0.044 0.000 2.168 754 L HA -0.032 4.309 4.340 0.002 0.000 0.203 754 L C 2.105 178.980 176.870 0.008 0.000 1.078 754 L CA 0.560 55.455 54.840 0.092 0.000 0.780 754 L CB -0.194 42.049 42.059 0.307 0.000 0.939 754 L HN 0.214 nan 8.230 nan 0.000 0.451 755 N N -0.333 118.342 118.700 -0.041 0.000 2.324 755 N HA -0.096 4.645 4.740 0.002 0.000 0.192 755 N C 1.740 177.130 175.510 -0.200 0.000 1.046 755 N CA 1.863 54.758 53.050 -0.258 0.000 0.898 755 N CB -0.223 37.890 38.487 -0.624 0.000 1.079 755 N HN -0.052 nan 8.380 nan 0.000 0.456 756 T N -0.223 114.227 114.554 -0.174 0.000 2.720 756 T HA -0.141 4.211 4.350 0.002 0.000 0.268 756 T C 1.580 176.311 174.700 0.052 0.000 1.037 756 T CA 1.463 63.554 62.100 -0.015 0.000 1.144 756 T CB -0.426 68.538 68.868 0.160 0.000 0.864 756 T HN 0.417 nan 8.240 nan 0.000 0.444 757 H N -0.344 118.639 119.070 -0.145 0.000 2.283 757 H HA 0.132 4.689 4.556 0.002 0.000 0.320 757 H C 2.320 177.686 175.328 0.063 0.000 1.074 757 H CA 0.507 56.511 56.048 -0.073 0.000 1.476 757 H CB -0.233 29.364 29.762 -0.275 0.000 1.465 757 H HN 0.128 nan 8.280 nan 0.000 0.573 758 L N 1.137 122.194 121.223 -0.276 0.000 1.989 758 L HA -0.144 4.197 4.340 0.002 0.000 0.211 758 L C 2.540 179.347 176.870 -0.105 0.000 1.071 758 L CA 1.467 56.117 54.840 -0.316 0.000 0.749 758 L CB -1.087 40.808 42.059 -0.273 0.000 0.890 758 L HN 0.425 nan 8.230 nan 0.000 0.431 759 L N -0.311 120.857 121.223 -0.092 0.000 2.005 759 L HA -0.132 4.210 4.340 0.002 0.000 0.207 759 L C 2.513 179.374 176.870 -0.015 0.000 1.072 759 L CA 1.747 56.534 54.840 -0.088 0.000 0.744 759 L CB -0.499 41.481 42.059 -0.131 0.000 0.895 759 L HN 0.219 nan 8.230 nan 0.000 0.433 760 R N -1.307 119.200 120.500 0.012 0.000 2.310 760 R HA 0.051 4.392 4.340 0.002 0.000 0.202 760 R C 1.392 177.811 176.300 0.198 0.000 0.933 760 R CA 0.868 57.012 56.100 0.074 0.000 1.054 760 R CB -0.199 30.060 30.300 -0.069 0.000 0.985 760 R HN 0.665 nan 8.270 nan 0.000 0.489 761 T N -3.205 111.471 114.554 0.202 0.000 3.556 761 T HA 0.057 4.408 4.350 0.002 0.000 0.204 761 T C 1.613 176.408 174.700 0.159 0.000 0.896 761 T CA -0.210 62.027 62.100 0.229 0.000 1.380 761 T CB -0.386 68.689 68.868 0.344 0.000 1.584 761 T HN 0.020 nan 8.240 nan 0.000 0.411 762 H N 1.679 120.791 119.070 0.069 0.000 2.261 762 H HA -0.066 4.492 4.556 0.003 0.000 0.290 762 H C 2.361 177.722 175.328 0.055 0.000 1.081 762 H CA 2.395 58.461 56.048 0.030 0.000 1.196 762 H CB -0.542 29.175 29.762 -0.076 0.000 1.350 762 H HN 0.264 nan 8.280 nan 0.000 0.498 763 L N 0.433 121.742 121.223 0.144 0.000 2.109 763 L HA -0.116 4.225 4.340 0.002 0.000 0.207 763 L C 2.946 179.847 176.870 0.052 0.000 1.086 763 L CA 1.571 56.436 54.840 0.043 0.000 0.760 763 L CB -0.613 41.399 42.059 -0.078 0.000 0.910 763 L HN 0.445 nan 8.230 nan 0.000 0.437 764 T N -3.933 110.659 114.554 0.063 0.000 2.812 764 T HA -0.139 4.213 4.350 0.002 0.000 0.264 764 T C 1.852 176.893 174.700 0.568 0.000 1.042 764 T CA 1.403 63.606 62.100 0.172 0.000 1.140 764 T CB -0.818 68.021 68.868 -0.048 0.000 0.870 764 T HN 0.416 nan 8.240 nan 0.000 0.445 765 T N -0.078 114.697 114.554 0.367 0.000 2.995 765 T HA 0.053 4.405 4.350 0.002 0.000 0.269 765 T C 1.789 176.739 174.700 0.417 0.000 1.091 765 T CA 1.043 63.299 62.100 0.260 0.000 1.128 765 T CB -0.441 68.242 68.868 -0.308 0.000 0.891 765 T HN 0.579 nan 8.240 nan 0.000 0.492 766 E N 1.313 121.731 120.200 0.362 0.000 2.160 766 E HA -0.162 4.189 4.350 0.002 0.000 0.195 766 E C 2.091 178.876 176.600 0.308 0.000 0.991 766 E CA 1.307 57.896 56.400 0.315 0.000 0.810 766 E CB -0.246 29.573 29.700 0.198 0.000 0.742 766 E HN 0.584 nan 8.360 nan 0.000 0.466 767 S N -0.147 115.778 115.700 0.375 0.000 2.368 767 S HA -0.121 4.350 4.470 0.002 0.000 0.225 767 S C 1.503 176.191 174.600 0.147 0.000 1.030 767 S CA 1.079 59.493 58.200 0.358 0.000 0.999 767 S CB -0.316 63.119 63.200 0.391 0.000 0.844 767 S HN 0.295 nan 8.310 nan 0.000 0.459 768 F N 1.812 121.834 119.950 0.119 0.000 2.206 768 F HA 0.032 4.561 4.527 0.002 0.000 0.298 768 F C 2.544 178.495 175.800 0.252 0.000 1.090 768 F CA 0.661 58.687 58.000 0.042 0.000 1.323 768 F CB -0.697 38.321 39.000 0.029 0.000 1.028 768 F HN 0.160 nan 8.300 nan 0.000 0.492 769 A N 0.052 123.198 122.820 0.543 0.000 1.883 769 A HA -0.209 4.113 4.320 0.002 0.000 0.217 769 A C 2.110 179.861 177.584 0.278 0.000 1.186 769 A CA 1.756 54.040 52.037 0.411 0.000 0.624 769 A CB -1.141 18.081 19.000 0.369 0.000 0.822 769 A HN 0.346 nan 8.150 nan 0.000 0.444 770 L N -0.298 121.003 121.223 0.130 0.000 2.046 770 L HA -0.108 4.234 4.340 0.002 0.000 0.208 770 L C 2.623 179.429 176.870 -0.106 0.000 1.077 770 L CA 2.519 57.314 54.840 -0.076 0.000 0.747 770 L CB -0.686 41.118 42.059 -0.426 0.000 0.896 770 L HN 0.345 nan 8.230 nan 0.000 0.432 771 S N -1.720 113.935 115.700 -0.075 0.000 2.399 771 S HA -0.201 4.270 4.470 0.002 0.000 0.231 771 S C 1.883 176.662 174.600 0.299 0.000 1.022 771 S CA 1.761 59.972 58.200 0.018 0.000 0.983 771 S CB -0.413 62.667 63.200 -0.200 0.000 0.803 771 S HN 0.681 nan 8.310 nan 0.000 0.480 772 T N 0.303 115.099 114.554 0.403 0.000 2.652 772 T HA -0.134 4.218 4.350 0.002 0.000 0.267 772 T C 1.212 175.932 174.700 0.033 0.000 1.039 772 T CA 1.671 63.953 62.100 0.303 0.000 1.153 772 T CB -0.512 68.419 68.868 0.105 0.000 0.863 772 T HN 0.645 nan 8.240 nan 0.000 0.428 773 W N 1.488 122.753 121.300 -0.058 0.000 2.388 773 W HA 0.040 4.701 4.660 0.002 0.000 0.294 773 W C 2.696 179.059 176.519 -0.259 0.000 1.212 773 W CA 0.376 57.514 57.345 -0.346 0.000 1.271 773 W CB -0.181 28.590 29.460 -1.149 0.000 1.126 773 W HN 0.111 nan 8.180 nan 0.000 0.535 774 R N -0.247 120.287 120.500 0.056 0.000 2.115 774 R HA -0.077 4.265 4.340 0.002 0.000 0.230 774 R C 1.398 177.772 176.300 0.124 0.000 1.111 774 R CA 1.293 57.451 56.100 0.097 0.000 0.976 774 R CB -0.280 30.046 30.300 0.043 0.000 0.870 774 R HN 0.230 nan 8.270 nan 0.000 0.445 775 N N -0.736 118.052 118.700 0.147 0.000 2.297 775 N HA 0.116 4.858 4.740 0.002 0.000 0.208 775 N C -0.231 175.322 175.510 0.071 0.000 1.176 775 N CA 0.185 53.331 53.050 0.161 0.000 0.882 775 N CB 1.121 39.771 38.487 0.273 0.000 1.134 775 N HN 0.032 nan 8.380 nan 0.000 0.489 776 L N 1.579 122.802 121.223 -0.000 0.000 2.287 776 L HA 0.569 4.910 4.340 0.002 0.000 0.287 776 L C 0.314 177.052 176.870 -0.219 0.000 1.022 776 L CA -0.769 53.977 54.840 -0.157 0.000 0.814 776 L CB 1.614 43.515 42.059 -0.263 0.000 1.217 776 L HN -0.084 nan 8.230 nan 0.000 0.420 777 A N 2.013 124.722 122.820 -0.185 0.000 2.406 777 A HA 0.236 4.557 4.320 0.002 0.000 0.243 777 A C 1.316 178.560 177.584 -0.567 0.000 1.082 777 A CA 0.242 52.120 52.037 -0.266 0.000 0.786 777 A CB 0.460 19.412 19.000 -0.081 0.000 1.029 777 A HN 0.908 nan 8.150 nan 0.000 0.495 778 S N 1.045 116.295 115.700 -0.749 0.000 2.419 778 S HA -0.071 4.400 4.470 0.002 0.000 0.233 778 S C 1.659 176.011 174.600 -0.413 0.000 1.016 778 S CA 1.223 58.821 58.200 -1.004 0.000 0.974 778 S CB -0.515 62.269 63.200 -0.694 0.000 0.786 778 S HN 1.361 nan 8.310 nan 0.000 0.492 779 A N 0.730 123.424 122.820 -0.210 0.000 2.168 779 A HA 0.121 4.442 4.320 0.002 0.000 0.215 779 A C 0.912 178.396 177.584 -0.165 0.000 1.152 779 A CA 0.327 52.307 52.037 -0.096 0.000 0.716 779 A CB -0.865 18.181 19.000 0.078 0.000 0.794 779 A HN 0.732 nan 8.150 nan 0.000 0.465 780 H N 0.427 119.344 119.070 -0.255 0.000 2.803 780 H HA 0.188 4.746 4.556 0.002 0.000 0.330 780 H C -1.291 173.811 175.328 -0.377 0.000 1.057 780 H CA -1.252 54.626 56.048 -0.283 0.000 1.458 780 H CB 1.234 30.869 29.762 -0.212 0.000 1.470 780 H HN 0.037 nan 8.280 nan 0.000 0.560 781 P HA -0.211 nan 4.420 nan 0.000 0.218 781 P C 1.109 178.267 177.300 -0.236 0.000 1.148 781 P CA 1.134 63.844 63.100 -0.649 0.000 0.822 781 P CB 0.393 31.271 31.700 -1.370 0.000 0.784 782 I N -1.704 118.928 120.570 0.104 0.000 2.617 782 I HA -0.095 4.076 4.170 0.002 0.000 0.256 782 I C 2.396 178.370 176.117 -0.238 0.000 1.167 782 I CA 0.487 61.745 61.300 -0.069 0.000 1.469 782 I CB -1.676 36.220 38.000 -0.172 0.000 1.098 782 I HN -0.134 nan 8.210 nan 0.000 0.436 783 F N 2.677 122.419 119.950 -0.347 0.000 2.095 783 F HA -0.238 4.290 4.527 0.002 0.000 0.298 783 F C 2.461 177.978 175.800 -0.471 0.000 1.104 783 F CA 1.886 59.622 58.000 -0.440 0.000 1.232 783 F CB -0.117 38.632 39.000 -0.418 0.000 0.987 783 F HN -0.069 nan 8.300 nan 0.000 0.475 784 K N -0.040 120.092 120.400 -0.447 0.000 2.057 784 K HA -0.184 4.138 4.320 0.002 0.000 0.207 784 K C 1.965 178.126 176.600 -0.731 0.000 1.049 784 K CA 1.582 57.364 56.287 -0.841 0.000 0.931 784 K CB -0.630 30.939 32.500 -1.552 0.000 0.714 784 K HN 0.304 nan 8.250 nan 0.000 0.440 785 L N 1.359 122.378 121.223 -0.340 0.000 2.012 785 L HA -0.161 4.180 4.340 0.002 0.000 0.210 785 L C 1.894 178.744 176.870 -0.034 0.000 1.073 785 L CA 1.633 56.516 54.840 0.072 0.000 0.748 785 L CB -0.193 41.938 42.059 0.119 0.000 0.891 785 L HN 0.119 nan 8.230 nan 0.000 0.431 786 L N -1.199 119.903 121.223 -0.201 0.000 2.270 786 L HA -0.097 4.244 4.340 0.002 0.000 0.210 786 L C 2.537 179.233 176.870 -0.291 0.000 1.104 786 L CA 0.836 55.587 54.840 -0.148 0.000 0.804 786 L CB -0.469 41.469 42.059 -0.201 0.000 0.937 786 L HN 0.465 nan 8.230 nan 0.000 0.450 787 Q N 1.048 120.514 119.800 -0.556 0.000 2.062 787 Q HA -0.215 4.126 4.340 0.002 0.000 0.209 787 Q C -0.665 175.163 176.000 -0.286 0.000 0.996 787 Q CA 2.321 57.779 55.803 -0.574 0.000 0.859 787 Q CB -0.688 27.611 28.738 -0.732 0.000 0.920 787 Q HN 0.311 nan 8.270 nan 0.000 0.415 788 P HA -0.144 nan 4.420 nan 0.000 0.223 788 P C 0.419 177.546 177.300 -0.288 0.000 1.151 788 P CA 1.305 64.251 63.100 -0.258 0.000 0.787 788 P CB -0.082 31.454 31.700 -0.274 0.000 0.788 789 H N -0.206 118.834 119.070 -0.050 0.000 2.520 789 H HA 0.141 4.698 4.556 0.002 0.000 0.279 789 H C 2.055 177.002 175.328 -0.634 0.000 0.990 789 H CA 0.778 56.740 56.048 -0.143 0.000 1.288 789 H CB -0.027 29.750 29.762 0.025 0.000 1.446 789 H HN 0.269 nan 8.280 nan 0.000 0.538 790 I N -1.872 118.409 120.570 -0.483 0.000 3.419 790 I HA 0.011 4.182 4.170 0.002 0.000 0.286 790 I C 0.916 176.912 176.117 -0.202 0.000 1.268 790 I CA -0.200 60.735 61.300 -0.609 0.000 1.414 790 I CB -0.505 37.344 38.000 -0.251 0.000 1.074 790 I HN -0.128 nan 8.210 nan 0.000 0.457 791 Y N 3.473 123.690 120.300 -0.139 0.000 2.811 791 Y HA 0.299 4.850 4.550 0.002 0.000 0.334 791 Y C 1.375 177.303 175.900 0.045 0.000 1.247 791 Y CA 1.316 59.428 58.100 0.020 0.000 1.526 791 Y CB 0.497 38.976 38.460 0.031 0.000 1.284 791 Y HN 0.428 nan 8.280 nan 0.000 0.586 792 G N 3.350 111.689 108.800 -0.769 0.000 2.358 792 G HA2 -0.372 3.590 3.960 0.002 0.000 0.224 792 G HA3 -0.372 3.590 3.960 0.002 0.000 0.224 792 G C 0.790 175.558 174.900 -0.221 0.000 1.073 792 G CA 0.379 45.087 45.100 -0.653 0.000 0.635 792 G HN 0.992 nan 8.290 nan 0.000 0.509 793 V N 1.781 121.619 119.914 -0.126 0.000 2.343 793 V HA 0.035 4.157 4.120 0.002 0.000 0.247 793 V C 2.794 178.883 176.094 -0.008 0.000 1.051 793 V CA 2.828 65.124 62.300 -0.007 0.000 1.036 793 V CB -0.280 31.631 31.823 0.148 0.000 0.654 793 V HN 0.511 nan 8.190 nan 0.000 0.451 794 L N -0.040 121.165 121.223 -0.030 0.000 2.056 794 L HA -0.075 4.266 4.340 0.002 0.000 0.207 794 L C 2.769 179.547 176.870 -0.154 0.000 1.078 794 L CA 1.577 56.383 54.840 -0.056 0.000 0.749 794 L CB -0.904 41.132 42.059 -0.039 0.000 0.901 794 L HN 0.406 nan 8.230 nan 0.000 0.433 795 A N 0.232 122.903 122.820 -0.247 0.000 1.845 795 A HA -0.246 4.075 4.320 0.002 0.000 0.215 795 A C 2.230 179.490 177.584 -0.541 0.000 1.195 795 A CA 1.958 53.739 52.037 -0.427 0.000 0.616 795 A CB -0.730 17.867 19.000 -0.672 0.000 0.832 795 A HN 0.303 nan 8.150 nan 0.000 0.443 796 I N 0.170 120.445 120.570 -0.491 0.000 2.315 796 I HA -0.180 3.992 4.170 0.002 0.000 0.248 796 I C 1.306 177.322 176.117 -0.168 0.000 1.117 796 I CA 1.873 62.986 61.300 -0.313 0.000 1.404 796 I CB -0.342 37.681 38.000 0.039 0.000 1.071 796 I HN 0.263 nan 8.210 nan 0.000 0.419 797 D N -0.427 119.923 120.400 -0.084 0.000 2.149 797 D HA -0.113 4.528 4.640 0.002 0.000 0.201 797 D C 2.209 178.455 176.300 -0.091 0.000 0.972 797 D CA 1.558 55.526 54.000 -0.053 0.000 0.835 797 D CB -0.375 40.431 40.800 0.010 0.000 0.966 797 D HN 0.300 nan 8.370 nan 0.000 0.476 798 T N 0.900 115.383 114.554 -0.118 0.000 2.708 798 T HA -0.068 4.283 4.350 0.002 0.000 0.266 798 T C 2.196 176.833 174.700 -0.107 0.000 1.037 798 T CA 0.625 62.660 62.100 -0.109 0.000 1.146 798 T CB -0.222 68.570 68.868 -0.126 0.000 0.865 798 T HN 0.135 nan 8.240 nan 0.000 0.435 799 I N 1.226 121.699 120.570 -0.162 0.000 2.163 799 I HA -0.118 4.054 4.170 0.002 0.000 0.243 799 I C 2.877 178.934 176.117 -0.101 0.000 1.085 799 I CA 1.419 62.620 61.300 -0.165 0.000 1.347 799 I CB -0.650 37.130 38.000 -0.366 0.000 1.044 799 I HN 0.312 nan 8.210 nan 0.000 0.408 800 G N 0.173 108.904 108.800 -0.115 0.000 2.443 800 G HA2 -0.182 3.779 3.960 0.002 0.000 0.219 800 G HA3 -0.182 3.779 3.960 0.002 0.000 0.219 800 G C 1.795 176.666 174.900 -0.049 0.000 1.131 800 G CA 0.192 45.246 45.100 -0.076 0.000 0.775 800 G HN 0.268 nan 8.290 nan 0.000 0.547 801 R N 0.322 120.791 120.500 -0.051 0.000 2.120 801 R HA -0.040 4.302 4.340 0.002 0.000 0.234 801 R C 2.423 178.717 176.300 -0.010 0.000 1.123 801 R CA 1.371 57.453 56.100 -0.031 0.000 0.975 801 R CB -0.061 30.217 30.300 -0.037 0.000 0.866 801 R HN 0.389 nan 8.270 nan 0.000 0.446 802 K N 0.399 120.793 120.400 -0.010 0.000 2.025 802 K HA -0.064 4.257 4.320 0.002 0.000 0.211 802 K C 1.789 178.399 176.600 0.017 0.000 1.029 802 K CA 1.028 57.319 56.287 0.006 0.000 0.948 802 K CB -0.165 32.339 32.500 0.006 0.000 0.768 802 K HN 0.134 nan 8.250 nan 0.000 0.446 803 E N 0.713 120.928 120.200 0.025 0.000 2.478 803 E HA -0.079 4.272 4.350 0.002 0.000 0.198 803 E C 1.923 178.547 176.600 0.039 0.000 1.046 803 E CA 0.843 57.273 56.400 0.051 0.000 0.870 803 E CB -0.086 29.681 29.700 0.111 0.000 0.818 803 E HN 0.297 nan 8.360 nan 0.000 0.527 804 L N 0.005 121.235 121.223 0.012 0.000 2.519 804 L HA 0.275 4.616 4.340 0.002 0.000 0.194 804 L C 2.155 179.010 176.870 -0.024 0.000 1.072 804 L CA 0.587 55.419 54.840 -0.013 0.000 0.845 804 L CB -0.768 41.265 42.059 -0.043 0.000 1.138 804 L HN 0.188 nan 8.230 nan 0.000 0.487 805 I N -1.533 119.044 120.570 0.011 0.000 4.057 805 I HA 0.505 4.677 4.170 0.002 0.000 0.334 805 I C 1.200 177.421 176.117 0.172 0.000 1.308 805 I CA 0.200 61.560 61.300 0.101 0.000 1.125 805 I CB -0.380 37.709 38.000 0.147 0.000 1.034 805 I HN 0.212 nan 8.210 nan 0.000 0.401 806 G N 1.059 109.907 108.800 0.080 0.000 2.684 806 G HA2 0.154 4.116 3.960 0.002 0.000 0.255 806 G HA3 0.154 4.116 3.960 0.002 0.000 0.255 806 G C -0.231 174.716 174.900 0.078 0.000 1.219 806 G CA -0.293 44.851 45.100 0.073 0.000 0.901 806 G HN 0.245 nan 8.290 nan 0.000 0.548 807 S N -0.358 115.383 115.700 0.068 0.000 2.546 807 S HA 0.367 4.839 4.470 0.002 0.000 0.290 807 S C 1.433 176.061 174.600 0.047 0.000 1.262 807 S CA 1.084 59.324 58.200 0.066 0.000 1.083 807 S CB 0.281 63.511 63.200 0.049 0.000 0.859 807 S HN 1.952 nan 8.310 nan 0.000 0.495 808 G N 2.995 111.825 108.800 0.050 0.000 2.155 808 G HA2 -0.200 3.761 3.960 0.002 0.000 0.257 808 G HA3 -0.200 3.761 3.960 0.002 0.000 0.257 808 G C 0.440 175.340 174.900 -0.001 0.000 0.983 808 G CA -0.001 45.117 45.100 0.030 0.000 0.676 808 G HN 1.060 nan 8.290 nan 0.000 0.528 809 G N -0.853 107.941 108.800 -0.009 0.000 2.535 809 G HA2 0.564 4.526 3.960 0.002 0.000 0.282 809 G HA3 0.564 4.526 3.960 0.002 0.000 0.282 809 G C 1.356 176.221 174.900 -0.058 0.000 1.350 809 G CA -0.219 44.869 45.100 -0.021 0.000 1.039 809 G HN 0.374 nan 8.290 nan 0.000 0.509 810 I N -0.861 119.678 120.570 -0.051 0.000 2.143 810 I HA -0.252 3.919 4.170 0.002 0.000 0.245 810 I C 2.819 178.861 176.117 -0.125 0.000 1.068 810 I CA 1.107 62.364 61.300 -0.072 0.000 1.326 810 I CB -0.173 37.798 38.000 -0.047 0.000 1.028 810 I HN 0.176 nan 8.210 nan 0.000 0.412 811 V N 0.326 120.144 119.914 -0.161 0.000 2.427 811 V HA -0.290 3.832 4.120 0.002 0.000 0.248 811 V C 1.879 177.812 176.094 -0.269 0.000 1.051 811 V CA 2.027 64.183 62.300 -0.239 0.000 1.048 811 V CB -0.625 30.997 31.823 -0.334 0.000 0.666 811 V HN 0.400 nan 8.190 nan 0.000 0.456 812 D N -0.509 119.748 120.400 -0.238 0.000 2.263 812 D HA -0.148 4.494 4.640 0.002 0.000 0.208 812 D C 2.298 178.470 176.300 -0.212 0.000 0.971 812 D CA 1.009 54.915 54.000 -0.157 0.000 0.867 812 D CB -0.052 40.727 40.800 -0.036 0.000 0.929 812 D HN 0.523 nan 8.370 nan 0.000 0.492 813 Q N -0.953 118.729 119.800 -0.197 0.000 2.376 813 Q HA 0.067 4.409 4.340 0.002 0.000 0.206 813 Q C 1.560 177.424 176.000 -0.228 0.000 0.921 813 Q CA 0.864 56.535 55.803 -0.219 0.000 0.911 813 Q CB 0.511 29.159 28.738 -0.150 0.000 1.032 813 Q HN 0.236 nan 8.270 nan 0.000 0.510 814 S N -1.397 114.180 115.700 -0.206 0.000 2.632 814 S HA 0.233 4.704 4.470 0.002 0.000 0.237 814 S C -0.009 174.476 174.600 -0.191 0.000 1.037 814 S CA -0.405 57.678 58.200 -0.196 0.000 1.009 814 S CB 0.535 63.623 63.200 -0.187 0.000 0.974 814 S HN 0.012 nan 8.310 nan 0.000 0.544 815 L N 1.764 122.878 121.223 -0.182 0.000 2.346 815 L HA 0.622 4.963 4.340 0.002 0.000 0.276 815 L C 1.322 178.125 176.870 -0.112 0.000 1.006 815 L CA -0.041 54.715 54.840 -0.141 0.000 0.817 815 L CB 1.633 43.614 42.059 -0.129 0.000 1.272 815 L HN 0.087 nan 8.230 nan 0.000 0.421 816 S N 2.257 117.910 115.700 -0.078 0.000 2.372 816 S HA -0.164 4.307 4.470 0.002 0.000 0.227 816 S C 1.501 176.106 174.600 0.008 0.000 1.044 816 S CA 1.579 59.757 58.200 -0.036 0.000 1.050 816 S CB -0.231 62.969 63.200 -0.001 0.000 0.901 816 S HN 0.485 nan 8.310 nan 0.000 0.447 817 L N 1.451 122.675 121.223 0.001 0.000 2.622 817 L HA 0.189 4.531 4.340 0.002 0.000 0.233 817 L C 1.464 178.398 176.870 0.107 0.000 1.156 817 L CA 0.110 54.981 54.840 0.052 0.000 0.866 817 L CB -1.505 40.566 42.059 0.021 0.000 0.980 817 L HN 0.197 nan 8.230 nan 0.000 0.448 818 G N -1.176 107.635 108.800 0.018 0.000 2.568 818 G HA2 0.306 4.267 3.960 0.002 0.000 0.231 818 G HA3 0.306 4.267 3.960 0.002 0.000 0.231 818 G C 1.076 176.122 174.900 0.244 0.000 1.261 818 G CA 0.271 45.362 45.100 -0.015 0.000 0.855 818 G HN 0.540 nan 8.290 nan 0.000 0.576 819 G N -0.781 108.165 108.800 0.243 0.000 2.179 819 G HA2 0.263 4.224 3.960 0.002 0.000 0.220 819 G HA3 0.263 4.224 3.960 0.002 0.000 0.220 819 G C 1.211 176.220 174.900 0.181 0.000 0.990 819 G CA 0.858 46.094 45.100 0.226 0.000 0.646 819 G HN 2.539 nan 8.290 nan 0.000 0.517 820 G N -1.291 107.724 108.800 0.359 0.000 2.797 820 G HA2 0.210 4.171 3.960 0.002 0.000 0.195 820 G HA3 0.210 4.171 3.960 0.002 0.000 0.195 820 G C 1.718 176.646 174.900 0.047 0.000 1.026 820 G CA 1.191 46.367 45.100 0.126 0.000 0.759 820 G HN 1.711 nan 8.290 nan 0.000 0.475 821 G N 1.085 109.978 108.800 0.156 0.000 2.509 821 G HA2 0.021 3.982 3.960 0.002 0.000 0.218 821 G HA3 0.021 3.982 3.960 0.002 0.000 0.218 821 G C 1.464 176.465 174.900 0.168 0.000 1.124 821 G CA 1.977 47.153 45.100 0.126 0.000 0.776 821 G HN 0.899 nan 8.290 nan 0.000 0.547 822 H N 0.343 119.471 119.070 0.095 0.000 2.353 822 H HA -0.016 4.542 4.556 0.002 0.000 0.300 822 H C 2.303 177.711 175.328 0.134 0.000 1.090 822 H CA 1.349 57.473 56.048 0.126 0.000 1.327 822 H CB -1.023 28.782 29.762 0.072 0.000 1.383 822 H HN 0.200 nan 8.280 nan 0.000 0.508 823 V N 1.594 121.220 119.914 -0.480 0.000 2.307 823 V HA -0.225 3.897 4.120 0.002 0.000 0.245 823 V C 2.706 178.746 176.094 -0.091 0.000 1.045 823 V CA 2.255 64.383 62.300 -0.287 0.000 1.024 823 V CB -1.036 30.584 31.823 -0.339 0.000 0.651 823 V HN 0.462 nan 8.190 nan 0.000 0.449 824 T N 0.460 114.990 114.554 -0.040 0.000 2.759 824 T HA -0.214 4.137 4.350 0.002 0.000 0.269 824 T C 1.688 176.433 174.700 0.075 0.000 1.042 824 T CA 2.064 64.178 62.100 0.024 0.000 1.140 824 T CB -0.424 68.473 68.868 0.048 0.000 0.864 824 T HN 0.458 nan 8.240 nan 0.000 0.455 825 F N 1.588 121.535 119.950 -0.005 0.000 2.113 825 F HA 0.068 4.597 4.527 0.003 0.000 0.297 825 F C 2.203 178.002 175.800 -0.001 0.000 1.103 825 F CA 1.081 59.093 58.000 0.020 0.000 1.248 825 F CB -0.463 38.569 39.000 0.054 0.000 0.999 825 F HN 0.033 nan 8.300 nan 0.000 0.475 826 M N 0.049 119.571 119.600 -0.129 0.000 2.159 826 M HA -0.205 4.276 4.480 0.002 0.000 0.263 826 M C 2.003 178.193 176.300 -0.184 0.000 1.063 826 M CA 1.874 57.033 55.300 -0.236 0.000 1.110 826 M CB -0.586 31.949 32.600 -0.109 0.000 1.374 826 M HN 0.212 nan 8.290 nan 0.000 0.411 827 E N 0.334 120.473 120.200 -0.103 0.000 2.051 827 E HA -0.216 4.135 4.350 0.002 0.000 0.192 827 E C 2.000 178.552 176.600 -0.080 0.000 0.991 827 E CA 1.113 57.495 56.400 -0.030 0.000 0.799 827 E CB -0.183 29.514 29.700 -0.005 0.000 0.748 827 E HN 0.410 nan 8.360 nan 0.000 0.449 828 K N 0.788 121.108 120.400 -0.133 0.000 2.063 828 K HA -0.181 4.140 4.320 0.002 0.000 0.208 828 K C 2.141 178.605 176.600 -0.227 0.000 1.048 828 K CA 1.606 57.798 56.287 -0.158 0.000 0.928 828 K CB -0.170 32.276 32.500 -0.090 0.000 0.713 828 K HN 0.176 nan 8.250 nan 0.000 0.442 829 C N 0.308 119.387 119.300 -0.368 0.000 2.429 829 C HA -0.100 4.361 4.460 0.002 0.000 0.277 829 C C 2.403 177.284 174.990 -0.181 0.000 1.262 829 C CA 0.370 59.179 59.018 -0.349 0.000 1.733 829 C CB -1.088 26.316 27.740 -0.561 0.000 2.010 829 C HN 0.570 nan 8.230 nan 0.000 0.483 830 F N 2.117 121.892 119.950 -0.292 0.000 2.234 830 F HA -0.054 4.474 4.527 0.002 0.000 0.299 830 F C 2.188 177.885 175.800 -0.172 0.000 1.087 830 F CA 1.367 59.209 58.000 -0.264 0.000 1.340 830 F CB -0.561 38.287 39.000 -0.254 0.000 1.031 830 F HN 0.158 nan 8.300 nan 0.000 0.500 831 K N -0.103 120.064 120.400 -0.390 0.000 2.218 831 K HA -0.185 4.137 4.320 0.002 0.000 0.205 831 K C 1.475 177.924 176.600 -0.252 0.000 1.046 831 K CA 1.537 57.508 56.287 -0.527 0.000 0.933 831 K CB -0.152 32.050 32.500 -0.498 0.000 0.728 831 K HN 0.307 nan 8.250 nan 0.000 0.454 832 E N 0.241 120.327 120.200 -0.189 0.000 2.452 832 E HA 0.032 4.384 4.350 0.002 0.000 0.197 832 E C 0.239 176.811 176.600 -0.047 0.000 1.022 832 E CA 0.050 56.391 56.400 -0.099 0.000 0.890 832 E CB 0.211 29.868 29.700 -0.072 0.000 0.918 832 E HN -0.047 nan 8.360 nan 0.000 0.496 833 V N 2.583 122.425 119.914 -0.119 0.000 2.673 833 V HA -0.037 4.084 4.120 0.002 0.000 0.303 833 V C 0.254 176.436 176.094 0.145 0.000 1.046 833 V CA 0.423 62.687 62.300 -0.060 0.000 1.126 833 V CB 0.154 31.828 31.823 -0.248 0.000 0.934 833 V HN 0.143 nan 8.190 nan 0.000 0.487 834 N N 2.550 121.397 118.700 0.246 0.000 2.225 834 N HA 0.383 5.125 4.740 0.002 0.000 0.298 834 N C 0.358 176.187 175.510 0.532 0.000 1.076 834 N CA -0.848 52.411 53.050 0.348 0.000 0.792 834 N CB 1.478 40.099 38.487 0.224 0.000 1.498 834 N HN 0.488 nan 8.380 nan 0.000 0.474 835 L N 2.011 123.580 121.223 0.576 0.000 2.265 835 L HA 0.012 4.353 4.340 0.002 0.000 0.215 835 L C 1.692 178.870 176.870 0.514 0.000 1.117 835 L CA 1.630 56.810 54.840 0.566 0.000 0.782 835 L CB -0.349 41.902 42.059 0.319 0.000 0.914 835 L HN 0.709 nan 8.230 nan 0.000 0.441 836 Q N -0.344 119.681 119.800 0.374 0.000 2.291 836 Q HA -0.157 4.184 4.340 0.002 0.000 0.205 836 Q C 1.550 177.725 176.000 0.290 0.000 0.970 836 Q CA 1.125 57.098 55.803 0.284 0.000 0.876 836 Q CB -0.221 28.613 28.738 0.160 0.000 0.935 836 Q HN 0.596 nan 8.270 nan 0.000 0.455 837 D N -0.518 120.078 120.400 0.327 0.000 2.221 837 D HA -0.160 4.481 4.640 0.002 0.000 0.204 837 D C 1.059 177.438 176.300 0.131 0.000 0.982 837 D CA 0.981 55.089 54.000 0.180 0.000 0.857 837 D CB -0.176 40.674 40.800 0.082 0.000 0.934 837 D HN 0.371 nan 8.370 nan 0.000 0.475 838 Y N -0.731 119.709 120.300 0.233 0.000 2.490 838 Y HA 0.061 4.613 4.550 0.002 0.000 0.281 838 Y C 0.665 176.696 175.900 0.219 0.000 1.174 838 Y CA -0.024 58.235 58.100 0.265 0.000 1.295 838 Y CB -0.435 38.207 38.460 0.303 0.000 1.062 838 Y HN 0.024 nan 8.280 nan 0.000 0.522 839 H N 0.575 119.721 119.070 0.128 0.000 2.761 839 H HA 0.170 4.727 4.556 0.002 0.000 0.284 839 H C 1.103 176.060 175.328 -0.618 0.000 1.105 839 H CA -0.419 55.499 56.048 -0.217 0.000 1.352 839 H CB 0.637 30.377 29.762 -0.038 0.000 1.423 839 H HN 0.178 nan 8.280 nan 0.000 0.464 840 L N 7.223 127.678 121.223 -1.281 0.000 2.017 840 L HA 0.048 4.389 4.340 0.002 0.000 0.208 840 L C -0.992 175.490 176.870 -0.646 0.000 1.073 840 L CA 1.427 55.738 54.840 -0.881 0.000 0.745 840 L CB -0.642 40.759 42.059 -1.097 0.000 0.894 840 L HN 0.595 nan 8.230 nan 0.000 0.432 841 P HA -0.129 nan 4.420 nan 0.000 0.215 841 P C 0.943 178.161 177.300 -0.136 0.000 1.153 841 P CA 1.867 64.747 63.100 -0.367 0.000 0.853 841 P CB -0.198 31.322 31.700 -0.300 0.000 0.788 842 N N -0.726 117.968 118.700 -0.011 0.000 2.188 842 N HA -0.086 4.655 4.740 0.002 0.000 0.184 842 N C 1.758 177.233 175.510 -0.060 0.000 1.018 842 N CA 0.806 53.786 53.050 -0.117 0.000 0.858 842 N CB -0.385 37.914 38.487 -0.313 0.000 0.989 842 N HN 0.046 nan 8.380 nan 0.000 0.426 843 A N 1.396 124.191 122.820 -0.041 0.000 1.902 843 A HA -0.069 4.252 4.320 0.002 0.000 0.217 843 A C 2.127 179.721 177.584 0.017 0.000 1.181 843 A CA 0.983 53.020 52.037 0.000 0.000 0.623 843 A CB -0.616 18.395 19.000 0.018 0.000 0.818 843 A HN 0.155 nan 8.150 nan 0.000 0.443 844 L N -0.836 120.377 121.223 -0.017 0.000 2.093 844 L HA -0.150 4.191 4.340 0.002 0.000 0.208 844 L C 2.594 179.486 176.870 0.036 0.000 1.085 844 L CA 1.753 56.608 54.840 0.026 0.000 0.755 844 L CB -0.470 41.564 42.059 -0.042 0.000 0.904 844 L HN 0.441 nan 8.230 nan 0.000 0.435 845 K N 1.075 121.474 120.400 -0.002 0.000 2.026 845 K HA -0.259 4.063 4.320 0.002 0.000 0.208 845 K C 2.256 178.868 176.600 0.021 0.000 1.048 845 K CA 1.701 57.992 56.287 0.006 0.000 0.929 845 K CB -0.022 32.466 32.500 -0.019 0.000 0.713 845 K HN 0.063 nan 8.250 nan 0.000 0.439 846 K N 0.517 120.925 120.400 0.014 0.000 2.152 846 K HA -0.155 4.167 4.320 0.002 0.000 0.206 846 K C 1.895 178.520 176.600 0.041 0.000 1.048 846 K CA 1.447 57.747 56.287 0.021 0.000 0.933 846 K CB 0.060 32.571 32.500 0.018 0.000 0.721 846 K HN 0.113 nan 8.250 nan 0.000 0.447 847 R N -1.004 119.533 120.500 0.062 0.000 2.275 847 R HA 0.049 4.390 4.340 0.002 0.000 0.199 847 R C 0.852 177.215 176.300 0.106 0.000 0.989 847 R CA 0.597 56.748 56.100 0.085 0.000 1.016 847 R CB 0.269 30.638 30.300 0.114 0.000 0.918 847 R HN 0.463 nan 8.270 nan 0.000 0.473 848 G N 1.004 109.863 108.800 0.098 0.000 2.176 848 G HA2 -0.246 3.715 3.960 0.002 0.000 0.252 848 G HA3 -0.246 3.715 3.960 0.002 0.000 0.252 848 G C 0.458 175.487 174.900 0.214 0.000 1.024 848 G CA 0.381 45.550 45.100 0.115 0.000 0.755 848 G HN 0.343 nan 8.290 nan 0.000 0.507 849 V N -2.284 117.756 119.914 0.209 0.000 3.176 849 V HA 0.419 4.541 4.120 0.002 0.000 0.332 849 V C 1.103 177.335 176.094 0.230 0.000 1.414 849 V CA 0.914 63.369 62.300 0.259 0.000 1.133 849 V CB 0.682 32.678 31.823 0.288 0.000 1.088 849 V HN 0.312 nan 8.190 nan 0.000 0.473 850 D N -0.824 119.658 120.400 0.136 0.000 2.340 850 D HA 0.073 4.715 4.640 0.002 0.000 0.217 850 D C 0.186 176.521 176.300 0.058 0.000 1.081 850 D CA 0.027 54.066 54.000 0.065 0.000 0.842 850 D CB 0.179 40.986 40.800 0.012 0.000 0.934 850 D HN 0.474 nan 8.370 nan 0.000 0.511 851 D N 1.122 121.577 120.400 0.091 0.000 2.412 851 D HA 0.191 4.833 4.640 0.002 0.000 0.224 851 D C -1.815 174.531 176.300 0.078 0.000 1.093 851 D CA -2.263 51.783 54.000 0.077 0.000 0.850 851 D CB 2.149 43.001 40.800 0.087 0.000 1.046 851 D HN -0.128 nan 8.370 nan 0.000 0.507 852 P HA -0.077 nan 4.420 nan 0.000 0.223 852 P C 1.229 178.559 177.300 0.050 0.000 1.151 852 P CA 0.625 63.752 63.100 0.044 0.000 0.787 852 P CB 0.157 31.877 31.700 0.032 0.000 0.788 853 S N -1.051 114.686 115.700 0.062 0.000 2.453 853 S HA -0.013 4.458 4.470 0.002 0.000 0.231 853 S C 1.714 176.385 174.600 0.118 0.000 1.005 853 S CA 0.725 58.969 58.200 0.074 0.000 0.949 853 S CB -0.571 62.670 63.200 0.068 0.000 0.774 853 S HN 0.026 nan 8.310 nan 0.000 0.510 854 K N 0.132 120.618 120.400 0.143 0.000 2.313 854 K HA 0.377 4.698 4.320 0.002 0.000 0.197 854 K C -0.037 176.687 176.600 0.208 0.000 1.061 854 K CA 0.171 56.608 56.287 0.250 0.000 0.980 854 K CB -0.132 32.507 32.500 0.232 0.000 0.888 854 K HN 0.402 nan 8.250 nan 0.000 0.502 855 L N 3.641 124.907 121.223 0.071 0.000 2.433 855 L HA 0.346 4.688 4.340 0.002 0.000 0.256 855 L C -2.792 174.030 176.870 -0.080 0.000 1.063 855 L CA -1.967 52.804 54.840 -0.114 0.000 0.922 855 L CB 1.565 43.444 42.059 -0.300 0.000 1.238 855 L HN -0.128 nan 8.230 nan 0.000 0.466 856 P HA 0.389 nan 4.420 nan 0.000 0.280 856 P C 0.221 177.444 177.300 -0.130 0.000 1.272 856 P CA 0.049 63.113 63.100 -0.059 0.000 0.819 856 P CB 1.260 32.944 31.700 -0.027 0.000 1.122 857 G N 0.125 108.828 108.800 -0.163 0.000 2.314 857 G HA2 -0.238 3.723 3.960 0.002 0.000 0.292 857 G HA3 -0.238 3.723 3.960 0.002 0.000 0.292 857 G C -0.549 173.840 174.900 -0.852 0.000 1.059 857 G CA -0.283 44.550 45.100 -0.445 0.000 0.982 857 G HN 0.504 nan 8.290 nan 0.000 0.505 858 F N 1.274 120.665 119.950 -0.933 0.000 2.451 858 F HA 0.593 5.121 4.527 0.003 0.000 0.367 858 F C 0.842 176.252 175.800 -0.651 0.000 1.100 858 F CA -2.792 54.786 58.000 -0.703 0.000 1.171 858 F CB 0.189 38.963 39.000 -0.376 0.000 1.405 858 F HN 0.181 nan 8.300 nan 0.000 0.482 859 Y N 2.831 123.032 120.300 -0.164 0.000 2.420 859 Y HA -0.179 4.373 4.550 0.002 0.000 0.292 859 Y C 2.114 177.715 175.900 -0.498 0.000 1.119 859 Y CA 0.990 58.876 58.100 -0.357 0.000 1.229 859 Y CB -0.497 37.735 38.460 -0.379 0.000 1.026 859 Y HN 0.570 nan 8.280 nan 0.000 0.554 860 Y N 1.932 121.842 120.300 -0.649 0.000 2.081 860 Y HA -0.350 4.202 4.550 0.003 0.000 0.280 860 Y C 2.721 178.400 175.900 -0.369 0.000 1.163 860 Y CA 2.002 59.920 58.100 -0.303 0.000 1.135 860 Y CB -0.462 37.968 38.460 -0.051 0.000 0.970 860 Y HN -0.002 nan 8.280 nan 0.000 0.498 861 R N 0.236 120.111 120.500 -1.042 0.000 2.082 861 R HA -0.196 4.145 4.340 0.002 0.000 0.234 861 R C 1.831 177.843 176.300 -0.480 0.000 1.136 861 R CA 2.336 57.853 56.100 -0.971 0.000 0.935 861 R CB -0.543 28.997 30.300 -1.268 0.000 0.842 861 R HN 0.389 nan 8.270 nan 0.000 0.430 862 D N 0.484 120.695 120.400 -0.314 0.000 2.097 862 D HA -0.140 4.501 4.640 0.002 0.000 0.195 862 D C 1.596 177.875 176.300 -0.035 0.000 0.989 862 D CA 1.380 55.314 54.000 -0.110 0.000 0.827 862 D CB -0.446 40.360 40.800 0.010 0.000 0.966 862 D HN 0.337 nan 8.370 nan 0.000 0.456 863 D N 0.147 120.554 120.400 0.010 0.000 2.123 863 D HA -0.055 4.586 4.640 0.002 0.000 0.200 863 D C 2.218 178.579 176.300 0.102 0.000 0.976 863 D CA 1.259 55.320 54.000 0.102 0.000 0.831 863 D CB -0.755 40.180 40.800 0.225 0.000 0.974 863 D HN 0.257 nan 8.370 nan 0.000 0.469 864 G N 0.982 109.781 108.800 -0.000 0.000 2.440 864 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 864 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 864 G C 1.755 176.728 174.900 0.121 0.000 1.154 864 G CA 0.407 45.565 45.100 0.096 0.000 0.767 864 G HN 0.246 nan 8.290 nan 0.000 0.552 865 L N 0.592 121.782 121.223 -0.054 0.000 2.093 865 L HA -0.015 4.327 4.340 0.002 0.000 0.208 865 L C 3.414 180.353 176.870 0.114 0.000 1.085 865 L CA 0.867 55.695 54.840 -0.020 0.000 0.755 865 L CB -0.393 41.608 42.059 -0.097 0.000 0.904 865 L HN 0.308 nan 8.230 nan 0.000 0.435 866 A N 0.314 123.197 122.820 0.105 0.000 1.883 866 A HA -0.181 4.140 4.320 0.002 0.000 0.217 866 A C 2.244 179.944 177.584 0.193 0.000 1.186 866 A CA 1.552 53.667 52.037 0.130 0.000 0.624 866 A CB -0.694 18.365 19.000 0.099 0.000 0.822 866 A HN 0.352 nan 8.150 nan 0.000 0.444 867 L N -1.848 119.528 121.223 0.254 0.000 2.027 867 L HA -0.187 4.155 4.340 0.002 0.000 0.206 867 L C 2.627 179.741 176.870 0.407 0.000 1.074 867 L CA 1.349 56.389 54.840 0.332 0.000 0.745 867 L CB -0.593 41.696 42.059 0.384 0.000 0.898 867 L HN 0.774 nan 8.230 nan 0.000 0.433 868 W N 1.920 123.355 121.300 0.224 0.000 2.302 868 W HA -0.310 4.352 4.660 0.002 0.000 0.320 868 W C 2.310 178.853 176.519 0.040 0.000 1.241 868 W CA 2.479 59.836 57.345 0.020 0.000 1.264 868 W CB -0.228 29.026 29.460 -0.342 0.000 1.154 868 W HN 0.364 nan 8.180 nan 0.000 0.483 869 E N 0.348 120.697 120.200 0.248 0.000 2.110 869 E HA -0.187 4.165 4.350 0.002 0.000 0.193 869 E C 2.284 178.940 176.600 0.092 0.000 0.988 869 E CA 1.677 58.169 56.400 0.153 0.000 0.804 869 E CB -0.395 29.410 29.700 0.174 0.000 0.745 869 E HN 0.169 nan 8.360 nan 0.000 0.458 870 A N 1.058 123.979 122.820 0.167 0.000 1.873 870 A HA -0.135 4.186 4.320 0.002 0.000 0.215 870 A C 2.166 179.894 177.584 0.239 0.000 1.186 870 A CA 1.318 53.512 52.037 0.261 0.000 0.616 870 A CB -0.589 18.612 19.000 0.335 0.000 0.823 870 A HN 0.329 nan 8.150 nan 0.000 0.442 871 I N -0.604 120.070 120.570 0.173 0.000 2.179 871 I HA -0.274 3.897 4.170 0.002 0.000 0.242 871 I C 2.600 178.578 176.117 -0.230 0.000 1.088 871 I CA 1.849 63.108 61.300 -0.068 0.000 1.357 871 I CB -0.371 37.625 38.000 -0.007 0.000 1.051 871 I HN 0.524 nan 8.210 nan 0.000 0.409 872 E N 0.578 120.583 120.200 -0.325 0.000 2.058 872 E HA -0.243 4.108 4.350 0.002 0.000 0.194 872 E C 2.088 178.584 176.600 -0.174 0.000 0.997 872 E CA 2.124 58.326 56.400 -0.331 0.000 0.801 872 E CB 0.024 29.505 29.700 -0.366 0.000 0.746 872 E HN 0.430 nan 8.360 nan 0.000 0.450 873 T N 0.763 115.269 114.554 -0.080 0.000 2.684 873 T HA -0.186 4.165 4.350 0.002 0.000 0.267 873 T C 1.412 176.087 174.700 -0.041 0.000 1.036 873 T CA 1.431 63.516 62.100 -0.025 0.000 1.148 873 T CB -0.519 68.377 68.868 0.048 0.000 0.863 873 T HN 0.272 nan 8.240 nan 0.000 0.436 874 F N 1.796 121.593 119.950 -0.255 0.000 2.095 874 F HA -0.046 4.482 4.527 0.002 0.000 0.298 874 F C 1.992 177.621 175.800 -0.285 0.000 1.104 874 F CA 0.886 58.674 58.000 -0.353 0.000 1.232 874 F CB -0.673 37.774 39.000 -0.922 0.000 0.987 874 F HN 0.103 nan 8.300 nan 0.000 0.475 875 I N 0.277 120.520 120.570 -0.545 0.000 2.226 875 I HA -0.233 3.938 4.170 0.002 0.000 0.245 875 I C 2.743 178.645 176.117 -0.359 0.000 1.100 875 I CA 1.397 62.371 61.300 -0.545 0.000 1.374 875 I CB -1.361 36.428 38.000 -0.352 0.000 1.057 875 I HN 0.337 nan 8.210 nan 0.000 0.413 876 G N 0.328 108.980 108.800 -0.247 0.000 2.418 876 G HA2 -0.231 3.731 3.960 0.002 0.000 0.217 876 G HA3 -0.231 3.731 3.960 0.002 0.000 0.217 876 G C 1.518 176.330 174.900 -0.147 0.000 1.158 876 G CA 0.584 45.588 45.100 -0.160 0.000 0.771 876 G HN 0.410 nan 8.290 nan 0.000 0.545 877 E N -0.085 120.011 120.200 -0.173 0.000 2.051 877 E HA -0.086 4.266 4.350 0.002 0.000 0.192 877 E C 2.555 179.037 176.600 -0.197 0.000 0.991 877 E CA 0.570 56.878 56.400 -0.153 0.000 0.799 877 E CB -0.084 29.554 29.700 -0.103 0.000 0.748 877 E HN 0.290 nan 8.360 nan 0.000 0.449 878 I N 1.128 121.499 120.570 -0.332 0.000 2.163 878 I HA -0.273 3.899 4.170 0.002 0.000 0.243 878 I C 2.439 178.571 176.117 0.025 0.000 1.085 878 I CA 1.379 62.531 61.300 -0.247 0.000 1.347 878 I CB -0.850 36.867 38.000 -0.472 0.000 1.044 878 I HN 0.168 nan 8.210 nan 0.000 0.408 879 I N 1.041 121.604 120.570 -0.012 0.000 2.208 879 I HA -0.291 3.880 4.170 0.002 0.000 0.245 879 I C 2.694 178.919 176.117 0.180 0.000 1.097 879 I CA 1.519 62.911 61.300 0.153 0.000 1.363 879 I CB -0.426 37.564 38.000 -0.018 0.000 1.051 879 I HN 0.141 nan 8.210 nan 0.000 0.413 880 A N 0.619 123.453 122.820 0.025 0.000 2.019 880 A HA -0.143 4.178 4.320 0.002 0.000 0.219 880 A C 2.258 179.795 177.584 -0.078 0.000 1.164 880 A CA 1.325 53.357 52.037 -0.008 0.000 0.644 880 A CB -0.784 18.189 19.000 -0.045 0.000 0.805 880 A HN 0.418 nan 8.150 nan 0.000 0.449 881 I N -2.109 118.351 120.570 -0.184 0.000 2.226 881 I HA -0.231 3.941 4.170 0.002 0.000 0.245 881 I C 1.955 177.707 176.117 -0.608 0.000 1.100 881 I CA 1.457 62.473 61.300 -0.473 0.000 1.374 881 I CB -0.214 37.335 38.000 -0.751 0.000 1.057 881 I HN 0.368 nan 8.210 nan 0.000 0.413 882 F N -1.558 118.341 119.950 -0.086 0.000 2.602 882 F HA 0.157 4.686 4.527 0.002 0.000 0.284 882 F C 0.252 175.866 175.800 -0.310 0.000 1.111 882 F CA -0.302 57.558 58.000 -0.234 0.000 1.405 882 F CB 0.010 38.794 39.000 -0.360 0.000 1.121 882 F HN -0.190 nan 8.300 nan 0.000 0.603 883 Y N 1.319 121.685 120.300 0.109 0.000 2.342 883 Y HA 0.326 4.878 4.550 0.002 0.000 0.338 883 Y C 1.050 176.976 175.900 0.042 0.000 0.965 883 Y CA -1.073 57.081 58.100 0.091 0.000 1.159 883 Y CB 0.867 39.371 38.460 0.074 0.000 1.157 883 Y HN -0.235 nan 8.280 nan 0.000 0.486 884 K N 2.099 122.603 120.400 0.173 0.000 2.400 884 K HA 0.096 4.417 4.320 0.002 0.000 0.194 884 K C -0.371 176.280 176.600 0.086 0.000 1.033 884 K CA 0.387 56.728 56.287 0.091 0.000 1.021 884 K CB -0.161 32.373 32.500 0.056 0.000 0.808 884 K HN 0.882 nan 8.250 nan 0.000 0.505 885 N N -1.717 117.054 118.700 0.120 0.000 3.339 885 N HA 0.074 4.815 4.740 0.002 0.000 0.275 885 N C -0.325 175.240 175.510 0.093 0.000 1.514 885 N CA -0.584 52.514 53.050 0.080 0.000 0.879 885 N CB 0.006 38.526 38.487 0.054 0.000 1.557 885 N HN -0.400 nan 8.380 nan 0.000 0.524 886 D N -0.638 119.796 120.400 0.057 0.000 2.178 886 D HA -0.095 4.546 4.640 0.002 0.000 0.202 886 D C 0.730 177.069 176.300 0.066 0.000 0.974 886 D CA 1.206 55.236 54.000 0.050 0.000 0.841 886 D CB -0.228 40.593 40.800 0.035 0.000 0.953 886 D HN 0.692 nan 8.370 nan 0.000 0.478 887 D N 0.513 120.942 120.400 0.049 0.000 2.144 887 D HA -0.138 4.503 4.640 0.002 0.000 0.200 887 D C 1.313 177.629 176.300 0.026 0.000 0.978 887 D CA 0.903 54.913 54.000 0.017 0.000 0.833 887 D CB 0.095 40.880 40.800 -0.024 0.000 0.961 887 D HN -0.087 nan 8.370 nan 0.000 0.470 888 D N -0.558 119.912 120.400 0.118 0.000 2.149 888 D HA -0.130 4.512 4.640 0.002 0.000 0.198 888 D C 2.211 178.826 176.300 0.525 0.000 0.990 888 D CA 0.623 54.817 54.000 0.323 0.000 0.839 888 D CB -0.207 40.872 40.800 0.465 0.000 0.948 888 D HN 0.162 nan 8.370 nan 0.000 0.460 889 V N 1.030 121.167 119.914 0.372 0.000 2.270 889 V HA -0.236 3.886 4.120 0.002 0.000 0.245 889 V C 2.334 178.575 176.094 0.244 0.000 1.043 889 V CA 1.561 64.000 62.300 0.231 0.000 1.014 889 V CB -0.367 31.427 31.823 -0.048 0.000 0.645 889 V HN 0.182 nan 8.190 nan 0.000 0.447 890 K N 0.037 120.531 120.400 0.157 0.000 2.074 890 K HA -0.191 4.130 4.320 0.002 0.000 0.209 890 K C 2.218 178.887 176.600 0.115 0.000 1.048 890 K CA 1.634 57.993 56.287 0.120 0.000 0.926 890 K CB -0.266 32.268 32.500 0.058 0.000 0.713 890 K HN 0.402 nan 8.250 nan 0.000 0.444 891 R N 0.780 121.323 120.500 0.072 0.000 2.299 891 R HA -0.021 4.320 4.340 0.002 0.000 0.197 891 R C 0.227 176.679 176.300 0.253 0.000 0.971 891 R CA 0.170 56.269 56.100 -0.002 0.000 1.030 891 R CB -0.004 30.044 30.300 -0.420 0.000 0.932 891 R HN 0.113 nan 8.270 nan 0.000 0.477 892 D N 0.698 121.364 120.400 0.444 0.000 2.374 892 D HA -0.034 4.608 4.640 0.002 0.000 0.240 892 D C 0.519 177.031 176.300 0.354 0.000 1.229 892 D CA 0.001 54.321 54.000 0.533 0.000 0.895 892 D CB 0.480 41.647 40.800 0.612 0.000 1.046 892 D HN -0.104 nan 8.370 nan 0.000 0.498 893 N N 3.287 122.158 118.700 0.285 0.000 2.364 893 N HA -0.149 4.592 4.740 0.002 0.000 0.183 893 N C 1.134 176.766 175.510 0.203 0.000 1.022 893 N CA 1.186 54.358 53.050 0.204 0.000 0.883 893 N CB 0.277 38.856 38.487 0.152 0.000 0.965 893 N HN 0.494 nan 8.380 nan 0.000 0.438 894 E N -0.416 119.911 120.200 0.212 0.000 2.046 894 E HA -0.115 4.237 4.350 0.002 0.000 0.190 894 E C 1.624 178.321 176.600 0.162 0.000 0.982 894 E CA 0.781 57.270 56.400 0.147 0.000 0.800 894 E CB -0.033 29.718 29.700 0.084 0.000 0.756 894 E HN 0.329 nan 8.360 nan 0.000 0.449 895 I N 1.350 122.045 120.570 0.208 0.000 2.439 895 I HA -0.225 3.947 4.170 0.002 0.000 0.251 895 I C 2.024 178.445 176.117 0.507 0.000 1.139 895 I CA 1.200 62.674 61.300 0.290 0.000 1.438 895 I CB 0.001 38.162 38.000 0.267 0.000 1.085 895 I HN 0.000 nan 8.210 nan 0.000 0.427 896 Q N -0.120 119.912 119.800 0.386 0.000 2.046 896 Q HA -0.119 4.222 4.340 0.002 0.000 0.200 896 Q C 2.430 178.598 176.000 0.280 0.000 0.975 896 Q CA 1.832 57.820 55.803 0.309 0.000 0.836 896 Q CB -0.709 28.153 28.738 0.207 0.000 0.896 896 Q HN 0.446 nan 8.270 nan 0.000 0.428 897 S N 0.419 116.280 115.700 0.270 0.000 2.382 897 S HA -0.156 4.316 4.470 0.002 0.000 0.228 897 S C 1.364 176.161 174.600 0.328 0.000 1.027 897 S CA 1.034 59.400 58.200 0.276 0.000 0.991 897 S CB -0.386 62.950 63.200 0.225 0.000 0.823 897 S HN 0.523 nan 8.310 nan 0.000 0.469 898 W N 1.780 123.168 121.300 0.147 0.000 2.333 898 W HA -0.123 4.539 4.660 0.002 0.000 0.316 898 W C 1.873 178.459 176.519 0.111 0.000 1.215 898 W CA 1.009 58.432 57.345 0.130 0.000 1.278 898 W CB -0.544 28.992 29.460 0.127 0.000 1.154 898 W HN 0.229 nan 8.180 nan 0.000 0.486 899 I N -0.411 120.280 120.570 0.201 0.000 2.353 899 I HA -0.180 3.992 4.170 0.002 0.000 0.248 899 I C 2.282 178.287 176.117 -0.186 0.000 1.119 899 I CA 1.477 62.659 61.300 -0.197 0.000 1.417 899 I CB -1.203 36.603 38.000 -0.323 0.000 1.078 899 I HN 0.181 nan 8.210 nan 0.000 0.421 900 Y N 0.949 121.185 120.300 -0.106 0.000 2.224 900 Y HA -0.263 4.289 4.550 0.003 0.000 0.289 900 Y C 2.258 178.145 175.900 -0.021 0.000 1.146 900 Y CA 2.086 60.152 58.100 -0.057 0.000 1.182 900 Y CB -0.405 38.048 38.460 -0.013 0.000 0.983 900 Y HN 0.260 nan 8.280 nan 0.000 0.524 901 D N -0.576 119.824 120.400 -0.001 0.000 2.104 901 D HA -0.173 4.468 4.640 0.002 0.000 0.194 901 D C 2.209 178.385 176.300 -0.207 0.000 0.994 901 D CA 1.681 55.681 54.000 -0.000 0.000 0.830 901 D CB -0.191 40.753 40.800 0.240 0.000 0.959 901 D HN 0.262 nan 8.370 nan 0.000 0.452 902 V N -0.104 119.583 119.914 -0.378 0.000 2.358 902 V HA -0.228 3.893 4.120 0.002 0.000 0.246 902 V C 2.335 178.093 176.094 -0.559 0.000 1.047 902 V CA 2.062 63.980 62.300 -0.636 0.000 1.035 902 V CB -0.824 30.222 31.823 -1.296 0.000 0.658 902 V HN 0.348 nan 8.190 nan 0.000 0.452 903 H N 1.007 119.738 119.070 -0.565 0.000 2.319 903 H HA -0.242 4.316 4.556 0.002 0.000 0.297 903 H C 2.210 177.273 175.328 -0.443 0.000 1.097 903 H CA 2.587 58.370 56.048 -0.443 0.000 1.285 903 H CB 0.032 29.540 29.762 -0.423 0.000 1.368 903 H HN 0.336 nan 8.280 nan 0.000 0.495 904 K N -0.574 119.428 120.400 -0.663 0.000 2.202 904 K HA 0.108 4.430 4.320 0.002 0.000 0.201 904 K C 1.098 177.389 176.600 -0.516 0.000 1.051 904 K CA 1.474 57.369 56.287 -0.654 0.000 0.977 904 K CB 0.382 32.406 32.500 -0.793 0.000 0.792 904 K HN 0.495 nan 8.250 nan 0.000 0.469 905 N N -1.560 116.784 118.700 -0.593 0.000 2.210 905 N HA 0.165 4.907 4.740 0.002 0.000 0.203 905 N C 1.002 175.864 175.510 -1.079 0.000 1.175 905 N CA 0.255 52.825 53.050 -0.800 0.000 0.894 905 N CB 1.221 39.087 38.487 -1.035 0.000 1.041 905 N HN 0.201 nan 8.380 nan 0.000 0.506 906 G N 0.030 108.338 108.800 -0.819 0.000 2.688 906 G HA2 -0.023 3.938 3.960 0.002 0.000 0.214 906 G HA3 -0.023 3.938 3.960 0.002 0.000 0.214 906 G C -0.496 174.465 174.900 0.101 0.000 1.211 906 G CA -0.114 44.663 45.100 -0.538 0.000 0.853 906 G HN 0.130 nan 8.290 nan 0.000 0.591 907 W N 2.980 124.166 121.300 -0.190 0.000 2.060 907 W HA 0.603 5.265 4.660 0.003 0.000 0.347 907 W C -0.051 176.477 176.519 0.015 0.000 0.831 907 W CA -1.851 55.527 57.345 0.056 0.000 1.590 907 W CB -0.455 29.026 29.460 0.036 0.000 1.737 907 W HN -0.016 nan 8.180 nan 0.000 0.329 908 R N 0.813 121.399 120.500 0.144 0.000 2.401 908 R HA 0.217 4.559 4.340 0.002 0.000 0.299 908 R C 0.133 176.380 176.300 -0.088 0.000 1.064 908 R CA -0.326 55.718 56.100 -0.095 0.000 1.000 908 R CB 0.934 31.087 30.300 -0.245 0.000 0.973 908 R HN -0.079 nan 8.270 nan 0.000 0.438 909 V N 5.138 124.960 119.914 -0.153 0.000 2.302 909 V HA -0.002 4.119 4.120 0.002 0.000 0.244 909 V C 0.300 176.201 176.094 -0.321 0.000 1.160 909 V CA -0.064 62.084 62.300 -0.253 0.000 1.127 909 V CB -0.624 31.053 31.823 -0.244 0.000 1.253 909 V HN 0.640 nan 8.190 nan 0.000 0.496 910 N N 4.955 123.305 118.700 -0.584 0.000 2.447 910 N HA 0.445 5.187 4.740 0.002 0.000 0.271 910 N C -2.576 172.848 175.510 -0.143 0.000 1.226 910 N CA -1.960 50.843 53.050 -0.411 0.000 0.980 910 N CB 0.554 38.765 38.487 -0.459 0.000 1.206 910 N HN 0.185 nan 8.380 nan 0.000 0.558 911 P HA 0.089 nan 4.420 nan 0.000 0.261 911 P C 0.597 177.976 177.300 0.132 0.000 1.183 911 P CA 0.861 63.977 63.100 0.027 0.000 0.761 911 P CB 0.183 31.885 31.700 0.002 0.000 0.785 912 G N 1.542 110.392 108.800 0.083 0.000 2.195 912 G HA2 -0.195 3.767 3.960 0.002 0.000 0.246 912 G HA3 -0.195 3.767 3.960 0.002 0.000 0.246 912 G C 0.143 175.044 174.900 0.001 0.000 0.984 912 G CA -0.370 44.757 45.100 0.046 0.000 0.633 912 G HN 0.658 nan 8.290 nan 0.000 0.525 913 H N 1.059 120.065 119.070 -0.106 0.000 2.525 913 H HA 0.369 4.927 4.556 0.002 0.000 0.339 913 H C 0.365 175.545 175.328 -0.247 0.000 1.109 913 H CA -0.461 55.477 56.048 -0.184 0.000 1.352 913 H CB 0.887 30.515 29.762 -0.224 0.000 1.461 913 H HN 0.202 nan 8.280 nan 0.000 0.533 914 Q N 1.443 121.117 119.800 -0.210 0.000 2.471 914 Q HA 0.013 4.354 4.340 0.002 0.000 0.223 914 Q C -0.161 175.596 176.000 -0.406 0.000 1.045 914 Q CA -0.143 55.527 55.803 -0.221 0.000 0.956 914 Q CB 0.651 29.296 28.738 -0.155 0.000 1.249 914 Q HN 0.643 nan 8.270 nan 0.000 0.549 915 D N -0.316 119.931 120.400 -0.255 0.000 2.423 915 D HA -0.077 4.564 4.640 0.002 0.000 0.238 915 D C 0.300 176.462 176.300 -0.229 0.000 1.142 915 D CA 0.291 54.146 54.000 -0.242 0.000 0.884 915 D CB 0.532 41.285 40.800 -0.079 0.000 1.199 915 D HN 0.330 nan 8.370 nan 0.000 0.438 916 H N 2.451 121.548 119.070 0.045 0.000 2.549 916 H HA 0.230 4.787 4.556 0.002 0.000 0.279 916 H C 1.429 176.900 175.328 0.238 0.000 1.018 916 H CA 0.567 56.693 56.048 0.130 0.000 1.175 916 H CB 0.667 30.541 29.762 0.188 0.000 1.485 916 H HN 0.677 nan 8.280 nan 0.000 0.543 917 G N 1.182 110.125 108.800 0.239 0.000 2.168 917 G HA2 -0.288 3.673 3.960 0.002 0.000 0.257 917 G HA3 -0.288 3.673 3.960 0.002 0.000 0.257 917 G C 0.213 175.221 174.900 0.180 0.000 0.997 917 G CA 0.535 45.756 45.100 0.202 0.000 0.708 917 G HN 0.243 nan 8.290 nan 0.000 0.520 918 V N 2.139 122.158 119.914 0.175 0.000 2.406 918 V HA 0.410 4.531 4.120 0.002 0.000 0.272 918 V C -1.309 174.824 176.094 0.066 0.000 1.043 918 V CA -1.530 60.805 62.300 0.059 0.000 0.915 918 V CB 1.319 33.098 31.823 -0.073 0.000 0.988 918 V HN 0.167 nan 8.190 nan 0.000 0.466 919 P HA 0.188 nan 4.420 nan 0.000 0.271 919 P C 0.510 177.571 177.300 -0.398 0.000 1.218 919 P CA -0.226 62.755 63.100 -0.198 0.000 0.780 919 P CB 0.966 32.513 31.700 -0.254 0.000 0.901 920 A N 1.865 124.332 122.820 -0.589 0.000 2.119 920 A HA 0.114 4.436 4.320 0.002 0.000 0.217 920 A C 0.858 178.315 177.584 -0.212 0.000 1.153 920 A CA 1.475 53.126 52.037 -0.643 0.000 0.692 920 A CB -0.611 18.067 19.000 -0.536 0.000 0.799 920 A HN 0.687 nan 8.150 nan 0.000 0.458 921 S N -2.691 112.863 115.700 -0.244 0.000 2.615 921 S HA 0.693 5.164 4.470 0.002 0.000 0.269 921 S C -0.982 173.476 174.600 -0.238 0.000 1.161 921 S CA -0.816 57.284 58.200 -0.167 0.000 0.817 921 S CB 0.568 63.738 63.200 -0.050 0.000 1.131 921 S HN 0.111 nan 8.310 nan 0.000 0.467 922 F N 1.770 121.763 119.950 0.072 0.000 2.415 922 F HA 0.421 4.949 4.527 0.002 0.000 0.348 922 F C 1.660 177.482 175.800 0.037 0.000 1.119 922 F CA -0.582 57.454 58.000 0.060 0.000 1.069 922 F CB 1.771 40.813 39.000 0.070 0.000 1.124 922 F HN 0.918 nan 8.300 nan 0.000 0.472 923 E N 0.558 120.894 120.200 0.227 0.000 2.460 923 E HA 0.144 4.495 4.350 0.002 0.000 0.200 923 E C -0.126 176.535 176.600 0.102 0.000 1.011 923 E CA 0.094 56.572 56.400 0.129 0.000 0.912 923 E CB 0.622 30.370 29.700 0.081 0.000 0.953 923 E HN 0.454 nan 8.360 nan 0.000 0.494 924 S N -0.397 115.366 115.700 0.105 0.000 2.596 924 S HA 0.417 4.888 4.470 0.002 0.000 0.270 924 S C 0.381 174.952 174.600 -0.048 0.000 1.155 924 S CA -0.993 57.228 58.200 0.035 0.000 0.827 924 S CB 2.068 65.293 63.200 0.041 0.000 1.130 924 S HN 0.022 nan 8.310 nan 0.000 0.467 925 R N 0.762 121.212 120.500 -0.082 0.000 2.096 925 R HA -0.099 4.243 4.340 0.002 0.000 0.235 925 R C 2.092 178.320 176.300 -0.120 0.000 1.127 925 R CA 1.769 57.776 56.100 -0.156 0.000 0.968 925 R CB -0.410 29.835 30.300 -0.092 0.000 0.861 925 R HN 0.889 nan 8.270 nan 0.000 0.440 926 E N 1.104 121.279 120.200 -0.042 0.000 2.051 926 E HA -0.268 4.084 4.350 0.002 0.000 0.192 926 E C 2.131 178.745 176.600 0.023 0.000 0.991 926 E CA 1.277 57.675 56.400 -0.003 0.000 0.799 926 E CB 0.080 29.798 29.700 0.030 0.000 0.748 926 E HN 0.311 nan 8.360 nan 0.000 0.449 927 Q N 0.075 119.908 119.800 0.055 0.000 2.079 927 Q HA -0.178 4.164 4.340 0.002 0.000 0.200 927 Q C 2.339 178.397 176.000 0.097 0.000 0.974 927 Q CA 1.148 57.045 55.803 0.156 0.000 0.840 927 Q CB -0.072 28.825 28.738 0.264 0.000 0.898 927 Q HN 0.325 nan 8.270 nan 0.000 0.430 928 L N 1.460 122.544 121.223 -0.233 0.000 2.046 928 L HA -0.195 4.147 4.340 0.002 0.000 0.208 928 L C 2.310 178.993 176.870 -0.312 0.000 1.077 928 L CA 2.080 56.507 54.840 -0.689 0.000 0.747 928 L CB -0.580 40.964 42.059 -0.859 0.000 0.896 928 L HN 0.144 nan 8.230 nan 0.000 0.432 929 K N -0.525 119.757 120.400 -0.196 0.000 2.057 929 K HA -0.260 4.061 4.320 0.002 0.000 0.207 929 K C 2.146 178.704 176.600 -0.069 0.000 1.049 929 K CA 1.781 57.981 56.287 -0.144 0.000 0.931 929 K CB -0.251 32.180 32.500 -0.116 0.000 0.714 929 K HN 0.539 nan 8.250 nan 0.000 0.440 930 E N 0.088 120.312 120.200 0.039 0.000 2.058 930 E HA -0.173 4.178 4.350 0.002 0.000 0.194 930 E C 1.843 178.546 176.600 0.173 0.000 0.997 930 E CA 1.500 57.998 56.400 0.163 0.000 0.801 930 E CB 0.113 29.977 29.700 0.274 0.000 0.746 930 E HN 0.180 nan 8.360 nan 0.000 0.450 931 V N 1.164 121.194 119.914 0.194 0.000 2.323 931 V HA -0.238 3.884 4.120 0.002 0.000 0.244 931 V C 2.465 178.627 176.094 0.112 0.000 1.041 931 V CA 1.402 63.838 62.300 0.227 0.000 1.025 931 V CB -0.419 31.686 31.823 0.470 0.000 0.656 931 V HN 0.333 nan 8.190 nan 0.000 0.451 932 L N -0.235 121.025 121.223 0.062 0.000 2.042 932 L HA -0.196 4.146 4.340 0.002 0.000 0.210 932 L C 2.641 179.461 176.870 -0.084 0.000 1.076 932 L CA 2.023 56.861 54.840 -0.004 0.000 0.749 932 L CB -1.016 40.983 42.059 -0.101 0.000 0.893 932 L HN 0.366 nan 8.230 nan 0.000 0.432 933 T N -1.075 113.369 114.554 -0.184 0.000 2.708 933 T HA -0.170 4.181 4.350 0.002 0.000 0.266 933 T C 2.144 176.637 174.700 -0.345 0.000 1.037 933 T CA 1.635 63.485 62.100 -0.417 0.000 1.146 933 T CB -0.164 68.253 68.868 -0.751 0.000 0.865 933 T HN 0.269 nan 8.240 nan 0.000 0.435 934 S N 1.284 116.941 115.700 -0.071 0.000 2.374 934 S HA -0.083 4.388 4.470 0.002 0.000 0.227 934 S C 1.923 176.643 174.600 0.200 0.000 1.037 934 S CA 0.919 59.295 58.200 0.293 0.000 1.024 934 S CB -0.494 62.915 63.200 0.349 0.000 0.861 934 S HN 0.256 nan 8.310 nan 0.000 0.456 935 L N 1.610 122.827 121.223 -0.010 0.000 2.023 935 L HA 0.023 4.364 4.340 0.002 0.000 0.205 935 L C 2.234 179.136 176.870 0.053 0.000 1.073 935 L CA 1.545 56.302 54.840 -0.138 0.000 0.745 935 L CB -0.754 41.179 42.059 -0.211 0.000 0.900 935 L HN 0.124 nan 8.230 nan 0.000 0.435 936 V N -0.498 119.485 119.914 0.114 0.000 2.343 936 V HA -0.314 3.807 4.120 0.002 0.000 0.247 936 V C 2.350 178.539 176.094 0.159 0.000 1.051 936 V CA 2.122 64.481 62.300 0.097 0.000 1.036 936 V CB -0.891 30.835 31.823 -0.163 0.000 0.654 936 V HN 0.535 nan 8.190 nan 0.000 0.451 937 F N 1.309 121.285 119.950 0.043 0.000 2.126 937 F HA -0.230 4.299 4.527 0.002 0.000 0.299 937 F C 2.391 178.353 175.800 0.271 0.000 1.096 937 F CA 2.271 60.372 58.000 0.169 0.000 1.255 937 F CB -0.388 38.749 39.000 0.229 0.000 0.997 937 F HN 0.125 nan 8.300 nan 0.000 0.479 938 T N 0.444 115.233 114.554 0.392 0.000 2.737 938 T HA -0.177 4.174 4.350 0.002 0.000 0.265 938 T C 1.838 176.669 174.700 0.219 0.000 1.038 938 T CA 1.702 63.983 62.100 0.301 0.000 1.144 938 T CB -0.832 68.237 68.868 0.336 0.000 0.866 938 T HN 0.276 nan 8.240 nan 0.000 0.434 939 F N 1.828 121.898 119.950 0.199 0.000 2.154 939 F HA -0.203 4.325 4.527 0.002 0.000 0.301 939 F C 2.771 178.691 175.800 0.199 0.000 1.087 939 F CA 1.156 59.260 58.000 0.172 0.000 1.274 939 F CB -0.112 39.003 39.000 0.192 0.000 1.009 939 F HN 0.270 nan 8.300 nan 0.000 0.485 940 S N -1.428 114.496 115.700 0.374 0.000 2.440 940 S HA -0.084 4.388 4.470 0.002 0.000 0.194 940 S C 1.958 176.670 174.600 0.187 0.000 0.952 940 S CA 0.606 58.992 58.200 0.310 0.000 0.898 940 S CB -0.827 62.548 63.200 0.291 0.000 0.875 940 S HN 0.298 nan 8.310 nan 0.000 0.581 941 C N 1.819 121.061 119.300 -0.097 0.000 2.453 941 C HA 0.060 4.522 4.460 0.002 0.000 0.277 941 C C 3.037 177.930 174.990 -0.163 0.000 1.262 941 C CA 1.220 60.086 59.018 -0.254 0.000 1.718 941 C CB -1.389 25.895 27.740 -0.759 0.000 2.031 941 C HN 0.777 nan 8.230 nan 0.000 0.480 942 Q N 0.536 120.173 119.800 -0.273 0.000 2.050 942 Q HA -0.189 4.152 4.340 0.002 0.000 0.202 942 Q C 2.198 178.334 176.000 0.227 0.000 0.980 942 Q CA 1.864 57.749 55.803 0.136 0.000 0.840 942 Q CB -0.787 28.140 28.738 0.317 0.000 0.898 942 Q HN 0.811 nan 8.270 nan 0.000 0.424 943 H N -0.635 118.532 119.070 0.161 0.000 2.352 943 H HA -0.112 4.445 4.556 0.002 0.000 0.299 943 H C 1.614 177.049 175.328 0.179 0.000 1.097 943 H CA 1.632 57.790 56.048 0.182 0.000 1.311 943 H CB 0.015 29.889 29.762 0.186 0.000 1.377 943 H HN 0.397 nan 8.280 nan 0.000 0.504 944 A N 1.356 124.310 122.820 0.225 0.000 1.883 944 A HA -0.131 4.191 4.320 0.002 0.000 0.217 944 A C 2.722 180.430 177.584 0.206 0.000 1.186 944 A CA 1.997 54.258 52.037 0.372 0.000 0.624 944 A CB -1.179 18.103 19.000 0.470 0.000 0.822 944 A HN 0.595 nan 8.150 nan 0.000 0.444 945 A N -0.375 122.574 122.820 0.215 0.000 1.972 945 A HA 0.027 4.348 4.320 0.002 0.000 0.219 945 A C 2.151 179.749 177.584 0.023 0.000 1.169 945 A CA 2.114 54.298 52.037 0.246 0.000 0.635 945 A CB -0.880 18.429 19.000 0.515 0.000 0.810 945 A HN 1.248 nan 8.150 nan 0.000 0.446 946 V N -3.157 116.736 119.914 -0.036 0.000 3.590 946 V HA 0.111 4.233 4.120 0.002 0.000 0.265 946 V C 1.412 177.353 176.094 -0.254 0.000 1.239 946 V CA 1.321 63.585 62.300 -0.060 0.000 1.117 946 V CB -0.481 31.398 31.823 0.092 0.000 0.818 946 V HN 0.609 nan 8.190 nan 0.000 0.451 947 N N 0.348 118.727 118.700 -0.534 0.000 2.511 947 N HA 0.115 4.857 4.740 0.002 0.000 0.190 947 N C 1.518 176.583 175.510 -0.742 0.000 1.037 947 N CA 0.869 53.391 53.050 -0.881 0.000 0.895 947 N CB 0.145 37.774 38.487 -1.430 0.000 1.149 947 N HN 0.505 nan 8.380 nan 0.000 0.437 948 F N 1.754 121.506 119.950 -0.330 0.000 2.780 948 F HA 0.097 4.625 4.527 0.002 0.000 0.299 948 F C 2.410 177.944 175.800 -0.444 0.000 1.146 948 F CA 0.283 58.120 58.000 -0.271 0.000 1.428 948 F CB 0.104 39.059 39.000 -0.075 0.000 1.115 948 F HN 0.100 nan 8.300 nan 0.000 0.583 949 S N -0.620 114.671 115.700 -0.682 0.000 2.547 949 S HA -0.167 4.305 4.470 0.002 0.000 0.235 949 S C 1.612 175.938 174.600 -0.456 0.000 0.980 949 S CA 0.526 58.051 58.200 -1.125 0.000 0.941 949 S CB -0.443 62.136 63.200 -1.035 0.000 0.763 949 S HN 0.501 nan 8.310 nan 0.000 0.532 950 Q N 0.965 120.604 119.800 -0.268 0.000 2.230 950 Q HA 0.022 4.363 4.340 0.002 0.000 0.202 950 Q C 2.218 178.252 176.000 0.056 0.000 0.963 950 Q CA 0.782 56.559 55.803 -0.043 0.000 0.866 950 Q CB -0.139 28.644 28.738 0.074 0.000 0.931 950 Q HN 0.473 nan 8.270 nan 0.000 0.452 951 K N 1.386 121.793 120.400 0.011 0.000 2.026 951 K HA -0.201 4.120 4.320 0.002 0.000 0.208 951 K C 1.138 177.756 176.600 0.029 0.000 1.048 951 K CA 1.592 57.903 56.287 0.041 0.000 0.929 951 K CB -0.022 32.516 32.500 0.063 0.000 0.713 951 K HN 0.156 nan 8.250 nan 0.000 0.439 952 D N -0.575 119.853 120.400 0.047 0.000 2.144 952 D HA -0.147 4.495 4.640 0.002 0.000 0.200 952 D C 1.999 178.311 176.300 0.020 0.000 0.978 952 D CA 1.115 55.149 54.000 0.057 0.000 0.833 952 D CB -0.203 40.701 40.800 0.174 0.000 0.961 952 D HN 0.468 nan 8.370 nan 0.000 0.470 953 H N -1.097 117.887 119.070 -0.142 0.000 2.307 953 H HA -0.078 4.479 4.556 0.002 0.000 0.303 953 H C 1.289 176.421 175.328 -0.326 0.000 1.073 953 H CA 1.632 57.487 56.048 -0.322 0.000 1.338 953 H CB 0.078 29.478 29.762 -0.602 0.000 1.389 953 H HN 0.141 nan 8.280 nan 0.000 0.503 954 Y N -1.301 119.032 120.300 0.056 0.000 2.458 954 Y HA 0.201 4.752 4.550 0.002 0.000 0.254 954 Y C 2.518 178.379 175.900 -0.065 0.000 1.120 954 Y CA 0.046 58.136 58.100 -0.016 0.000 1.282 954 Y CB 0.352 38.810 38.460 -0.004 0.000 1.109 954 Y HN 0.310 nan 8.280 nan 0.000 0.526 955 G N 1.073 109.921 108.800 0.080 0.000 2.513 955 G HA2 -0.332 3.629 3.960 0.002 0.000 0.219 955 G HA3 -0.332 3.629 3.960 0.002 0.000 0.219 955 G C 0.261 175.246 174.900 0.142 0.000 1.160 955 G CA 0.557 45.672 45.100 0.025 0.000 0.767 955 G HN 0.280 nan 8.290 nan 0.000 0.571 956 F N 1.905 121.810 119.950 -0.075 0.000 2.350 956 F HA 0.472 5.000 4.527 0.002 0.000 0.365 956 F C 1.494 177.161 175.800 -0.222 0.000 1.122 956 F CA -0.616 57.337 58.000 -0.077 0.000 1.139 956 F CB 1.049 39.958 39.000 -0.153 0.000 1.220 956 F HN -0.068 nan 8.300 nan 0.000 0.499 957 T N 6.200 120.290 114.554 -0.773 0.000 2.746 957 T HA -0.082 4.269 4.350 0.002 0.000 0.267 957 T C -0.892 173.245 174.700 -0.937 0.000 1.039 957 T CA 1.682 63.389 62.100 -0.655 0.000 1.142 957 T CB -0.754 67.840 68.868 -0.457 0.000 0.866 957 T HN 0.421 nan 8.240 nan 0.000 0.444 958 P HA -0.068 nan 4.420 nan 0.000 0.221 958 P C 1.287 178.221 177.300 -0.609 0.000 1.145 958 P CA 0.715 63.031 63.100 -1.306 0.000 0.795 958 P CB -0.222 30.368 31.700 -1.851 0.000 0.775 959 N N -0.147 118.267 118.700 -0.476 0.000 2.364 959 N HA -0.097 4.645 4.740 0.002 0.000 0.183 959 N C 0.037 175.490 175.510 -0.096 0.000 1.022 959 N CA 0.978 54.025 53.050 -0.005 0.000 0.883 959 N CB 0.105 38.634 38.487 0.070 0.000 0.965 959 N HN -0.056 nan 8.380 nan 0.000 0.438 960 A N 1.110 123.827 122.820 -0.171 0.000 3.068 960 A HA 0.289 4.611 4.320 0.002 0.000 0.269 960 A C -2.772 174.820 177.584 0.014 0.000 1.259 960 A CA -0.900 51.081 52.037 -0.092 0.000 0.938 960 A CB 0.636 19.448 19.000 -0.313 0.000 1.433 960 A HN 0.073 nan 8.150 nan 0.000 0.664 961 P HA 0.351 nan 4.420 nan 0.000 0.271 961 P C 0.598 177.859 177.300 -0.066 0.000 1.218 961 P CA 0.444 63.435 63.100 -0.181 0.000 0.780 961 P CB 1.675 33.169 31.700 -0.344 0.000 0.901 962 A N 3.281 126.045 122.820 -0.093 0.000 2.419 962 A HA 0.352 4.673 4.320 0.002 0.000 0.233 962 A C 0.712 178.233 177.584 -0.105 0.000 1.217 962 A CA 0.135 52.129 52.037 -0.071 0.000 0.944 962 A CB 0.051 18.976 19.000 -0.125 0.000 1.025 962 A HN 0.498 nan 8.150 nan 0.000 0.524 963 I N 0.648 121.133 120.570 -0.142 0.000 2.619 963 I HA 0.436 4.607 4.170 0.002 0.000 0.292 963 I C -1.275 174.732 176.117 -0.183 0.000 1.100 963 I CA -0.607 60.609 61.300 -0.139 0.000 1.043 963 I CB 2.273 40.183 38.000 -0.150 0.000 1.239 963 I HN 0.014 nan 8.210 nan 0.000 0.420 964 L N 5.371 126.500 121.223 -0.156 0.000 2.370 964 L HA 0.561 4.902 4.340 0.002 0.000 0.266 964 L C 0.632 177.487 176.870 -0.025 0.000 1.002 964 L CA -0.673 54.036 54.840 -0.218 0.000 0.818 964 L CB 2.405 44.139 42.059 -0.541 0.000 1.325 964 L HN 0.589 nan 8.230 nan 0.000 0.418 965 R N -0.483 119.961 120.500 -0.093 0.000 2.365 965 R HA 0.225 4.566 4.340 0.002 0.000 0.223 965 R C -0.413 175.725 176.300 -0.271 0.000 0.899 965 R CA -0.000 56.015 56.100 -0.140 0.000 1.059 965 R CB 0.503 30.617 30.300 -0.310 0.000 1.086 965 R HN 0.591 nan 8.270 nan 0.000 0.522 966 H N -0.246 118.841 119.070 0.030 0.000 2.797 966 H HA 0.316 4.874 4.556 0.002 0.000 0.372 966 H C -2.420 172.607 175.328 -0.502 0.000 1.168 966 H CA -2.292 53.623 56.048 -0.222 0.000 1.163 966 H CB 2.110 31.838 29.762 -0.056 0.000 1.778 966 H HN -0.143 nan 8.280 nan 0.000 0.551 967 P HA 0.117 nan 4.420 nan 0.000 0.274 967 P C -2.570 174.704 177.300 -0.044 0.000 1.256 967 P CA -1.504 61.285 63.100 -0.518 0.000 0.795 967 P CB 0.055 31.489 31.700 -0.443 0.000 1.038 968 P HA 0.218 nan 4.420 nan 0.000 0.272 968 P C -2.144 175.074 177.300 -0.136 0.000 1.240 968 P CA -1.120 61.645 63.100 -0.559 0.000 0.791 968 P CB -1.343 29.805 31.700 -0.921 0.000 0.978 969 P HA 0.203 nan 4.420 nan 0.000 0.277 969 P C -0.200 177.182 177.300 0.136 0.000 1.240 969 P CA -0.211 62.947 63.100 0.097 0.000 0.798 969 P CB 1.110 32.920 31.700 0.183 0.000 0.979 970 K N 0.753 121.225 120.400 0.120 0.000 2.358 970 K HA 0.134 4.455 4.320 0.002 0.000 0.197 970 K C 0.688 177.348 176.600 0.100 0.000 1.025 970 K CA 0.202 56.547 56.287 0.097 0.000 1.104 970 K CB 0.351 32.887 32.500 0.059 0.000 0.855 970 K HN 0.536 nan 8.250 nan 0.000 0.531 971 K N 0.269 120.761 120.400 0.153 0.000 2.555 971 K HA 0.365 4.686 4.320 0.002 0.000 0.279 971 K C -1.097 175.637 176.600 0.224 0.000 0.986 971 K CA -1.007 55.348 56.287 0.114 0.000 0.880 971 K CB 1.738 34.285 32.500 0.077 0.000 1.474 971 K HN -0.296 nan 8.250 nan 0.000 0.433 972 K N -0.125 120.347 120.400 0.120 0.000 2.107 972 K HA 0.323 4.644 4.320 0.002 0.000 0.251 972 K C 0.634 177.369 176.600 0.224 0.000 1.012 972 K CA 0.317 56.743 56.287 0.231 0.000 0.920 972 K CB 0.816 33.327 32.500 0.019 0.000 1.033 972 K HN 0.984 nan 8.250 nan 0.000 0.478 973 G N -0.429 108.534 108.800 0.272 0.000 2.157 973 G HA2 -0.352 3.609 3.960 0.002 0.000 0.248 973 G HA3 -0.352 3.609 3.960 0.002 0.000 0.248 973 G C 0.751 175.755 174.900 0.173 0.000 0.979 973 G CA 0.797 46.013 45.100 0.192 0.000 0.650 973 G HN 0.706 nan 8.290 nan 0.000 0.529 974 E N -0.648 119.665 120.200 0.189 0.000 2.276 974 E HA 0.714 5.065 4.350 0.002 0.000 0.193 974 E C 1.548 178.225 176.600 0.129 0.000 0.983 974 E CA 1.405 57.889 56.400 0.140 0.000 0.861 974 E CB -0.122 29.654 29.700 0.127 0.000 0.817 974 E HN 2.125 nan 8.360 nan 0.000 0.485 975 A N 1.396 124.312 122.820 0.160 0.000 2.477 975 A HA 0.517 4.838 4.320 0.002 0.000 0.246 975 A C 0.819 178.480 177.584 0.129 0.000 1.078 975 A CA 0.577 52.702 52.037 0.147 0.000 0.770 975 A CB -0.145 18.963 19.000 0.180 0.000 1.011 975 A HN 0.624 nan 8.150 nan 0.000 0.494 976 T N 0.172 114.717 114.554 -0.014 0.000 2.916 976 T HA 0.460 4.812 4.350 0.002 0.000 0.292 976 T C 0.829 175.297 174.700 -0.387 0.000 1.064 976 T CA -0.466 61.489 62.100 -0.242 0.000 1.011 976 T CB 0.851 69.654 68.868 -0.109 0.000 1.152 976 T HN 0.592 nan 8.240 nan 0.000 0.510 977 L N 1.106 121.950 121.223 -0.632 0.000 2.013 977 L HA -0.081 4.260 4.340 0.002 0.000 0.212 977 L C 3.022 179.798 176.870 -0.158 0.000 1.073 977 L CA 2.623 57.264 54.840 -0.331 0.000 0.753 977 L CB -1.184 40.712 42.059 -0.271 0.000 0.890 977 L HN 0.887 nan 8.230 nan 0.000 0.432 978 Q N -0.768 118.959 119.800 -0.121 0.000 2.077 978 Q HA -0.231 4.111 4.340 0.002 0.000 0.206 978 Q C 2.639 178.628 176.000 -0.019 0.000 0.989 978 Q CA 2.399 58.171 55.803 -0.053 0.000 0.853 978 Q CB -0.934 27.783 28.738 -0.036 0.000 0.907 978 Q HN 0.937 nan 8.270 nan 0.000 0.418 979 S N -0.305 115.382 115.700 -0.022 0.000 2.368 979 S HA -0.086 4.386 4.470 0.002 0.000 0.224 979 S C 2.012 176.646 174.600 0.056 0.000 1.029 979 S CA 1.403 59.606 58.200 0.006 0.000 0.988 979 S CB -0.666 62.534 63.200 -0.001 0.000 0.838 979 S HN 0.655 nan 8.310 nan 0.000 0.462 980 I N 1.761 122.373 120.570 0.070 0.000 2.091 980 I HA -0.212 3.959 4.170 0.002 0.000 0.239 980 I C 2.540 178.708 176.117 0.084 0.000 1.061 980 I CA 1.597 62.981 61.300 0.140 0.000 1.317 980 I CB -0.574 37.599 38.000 0.289 0.000 1.031 980 I HN 0.285 nan 8.210 nan 0.000 0.401 981 L N 0.567 121.824 121.223 0.057 0.000 2.129 981 L HA -0.252 4.090 4.340 0.002 0.000 0.212 981 L C 2.616 179.535 176.870 0.081 0.000 1.087 981 L CA 1.866 56.747 54.840 0.068 0.000 0.757 981 L CB -0.664 41.419 42.059 0.041 0.000 0.896 981 L HN 0.426 nan 8.230 nan 0.000 0.434 982 S N -2.890 112.865 115.700 0.091 0.000 2.527 982 S HA -0.040 4.431 4.470 0.002 0.000 0.222 982 S C 1.660 176.362 174.600 0.170 0.000 0.985 982 S CA 0.809 59.093 58.200 0.140 0.000 0.921 982 S CB -0.028 63.286 63.200 0.191 0.000 0.772 982 S HN 0.321 nan 8.310 nan 0.000 0.529 983 T N 1.979 116.613 114.554 0.133 0.000 3.033 983 T HA 0.363 4.714 4.350 0.002 0.000 0.248 983 T C 0.693 175.305 174.700 -0.146 0.000 1.040 983 T CA -0.124 62.009 62.100 0.056 0.000 1.133 983 T CB -0.224 68.694 68.868 0.083 0.000 0.895 983 T HN 0.274 nan 8.240 nan 0.000 0.465 984 L N 2.379 123.496 121.223 -0.176 0.000 2.492 984 L HA 0.144 4.485 4.340 0.002 0.000 0.280 984 L C -2.109 174.677 176.870 -0.140 0.000 1.240 984 L CA -1.732 52.941 54.840 -0.277 0.000 0.831 984 L CB -0.096 41.773 42.059 -0.317 0.000 1.100 984 L HN 0.000 nan 8.230 nan 0.000 0.505 985 P HA 0.007 nan 4.420 nan 0.000 0.267 985 P C -0.609 176.704 177.300 0.020 0.000 1.200 985 P CA -0.319 62.731 63.100 -0.082 0.000 0.772 985 P CB 0.507 32.150 31.700 -0.095 0.000 0.855 986 S N 2.073 117.731 115.700 -0.070 0.000 2.587 986 S HA 0.004 4.476 4.470 0.002 0.000 0.260 986 S C 1.403 175.883 174.600 -0.199 0.000 1.353 986 S CA -0.036 58.081 58.200 -0.138 0.000 0.995 986 S CB 0.336 63.430 63.200 -0.177 0.000 0.912 986 S HN 0.587 nan 8.310 nan 0.000 0.568 987 K N 0.427 120.543 120.400 -0.474 0.000 2.097 987 K HA -0.153 4.169 4.320 0.002 0.000 0.206 987 K C 2.027 178.429 176.600 -0.330 0.000 1.049 987 K CA 1.829 57.705 56.287 -0.685 0.000 0.933 987 K CB -0.712 30.890 32.500 -1.496 0.000 0.717 987 K HN 0.693 nan 8.250 nan 0.000 0.442 988 S N 0.606 116.141 115.700 -0.274 0.000 2.387 988 S HA -0.133 4.338 4.470 0.002 0.000 0.226 988 S C 2.097 176.616 174.600 -0.135 0.000 1.026 988 S CA 0.680 58.774 58.200 -0.177 0.000 0.972 988 S CB -0.224 62.874 63.200 -0.170 0.000 0.814 988 S HN 0.451 nan 8.310 nan 0.000 0.477 989 Q N 1.297 121.011 119.800 -0.143 0.000 2.084 989 Q HA 0.039 4.380 4.340 0.002 0.000 0.202 989 Q C 2.604 178.541 176.000 -0.104 0.000 0.978 989 Q CA 1.519 57.242 55.803 -0.134 0.000 0.844 989 Q CB -0.557 28.094 28.738 -0.145 0.000 0.898 989 Q HN 0.770 nan 8.270 nan 0.000 0.426 990 A N 0.973 123.762 122.820 -0.051 0.000 1.898 990 A HA -0.111 4.211 4.320 0.002 0.000 0.216 990 A C 2.288 179.853 177.584 -0.030 0.000 1.181 990 A CA 1.539 53.577 52.037 0.002 0.000 0.620 990 A CB -0.811 18.316 19.000 0.212 0.000 0.819 990 A HN 0.401 nan 8.150 nan 0.000 0.442 991 A N -0.168 122.636 122.820 -0.026 0.000 1.933 991 A HA -0.166 4.156 4.320 0.002 0.000 0.218 991 A C 2.106 179.650 177.584 -0.066 0.000 1.175 991 A CA 1.825 53.858 52.037 -0.008 0.000 0.628 991 A CB -0.402 18.622 19.000 0.040 0.000 0.814 991 A HN 0.553 nan 8.150 nan 0.000 0.444 992 K N -0.381 119.973 120.400 -0.077 0.000 2.097 992 K HA 0.018 4.339 4.320 0.002 0.000 0.205 992 K C 2.300 178.813 176.600 -0.145 0.000 1.050 992 K CA 0.926 57.158 56.287 -0.092 0.000 0.938 992 K CB -0.289 32.153 32.500 -0.097 0.000 0.718 992 K HN 0.434 nan 8.250 nan 0.000 0.442 993 A N 1.515 124.235 122.820 -0.167 0.000 1.902 993 A HA -0.161 4.160 4.320 0.002 0.000 0.217 993 A C 2.107 179.547 177.584 -0.240 0.000 1.181 993 A CA 1.349 53.258 52.037 -0.212 0.000 0.623 993 A CB -0.563 18.309 19.000 -0.213 0.000 0.818 993 A HN 0.168 nan 8.150 nan 0.000 0.443 994 I N -0.344 120.061 120.570 -0.275 0.000 2.252 994 I HA -0.247 3.925 4.170 0.002 0.000 0.245 994 I C 2.968 178.695 176.117 -0.649 0.000 1.102 994 I CA 0.957 61.995 61.300 -0.437 0.000 1.385 994 I CB -0.318 37.354 38.000 -0.548 0.000 1.064 994 I HN 0.347 nan 8.210 nan 0.000 0.414 995 A N 0.374 122.817 122.820 -0.628 0.000 1.908 995 A HA -0.238 4.083 4.320 0.002 0.000 0.218 995 A C 2.390 179.913 177.584 -0.102 0.000 1.181 995 A CA 2.592 54.382 52.037 -0.411 0.000 0.627 995 A CB -1.201 17.810 19.000 0.019 0.000 0.818 995 A HN 0.387 nan 8.150 nan 0.000 0.445 996 T N -0.270 114.211 114.554 -0.121 0.000 2.652 996 T HA -0.158 4.193 4.350 0.002 0.000 0.267 996 T C 1.873 176.529 174.700 -0.073 0.000 1.039 996 T CA 1.761 63.812 62.100 -0.081 0.000 1.153 996 T CB -0.542 68.249 68.868 -0.129 0.000 0.863 996 T HN 0.164 nan 8.240 nan 0.000 0.428 997 V N 0.502 120.346 119.914 -0.117 0.000 2.343 997 V HA -0.182 3.939 4.120 0.002 0.000 0.247 997 V C 2.019 178.100 176.094 -0.023 0.000 1.051 997 V CA 1.713 63.966 62.300 -0.078 0.000 1.036 997 V CB -0.754 31.033 31.823 -0.061 0.000 0.654 997 V HN 0.521 nan 8.190 nan 0.000 0.451 998 Y N 0.665 120.889 120.300 -0.128 0.000 2.128 998 Y HA -0.251 4.301 4.550 0.003 0.000 0.284 998 Y C 2.206 178.136 175.900 0.051 0.000 1.154 998 Y CA 1.848 59.947 58.100 -0.002 0.000 1.149 998 Y CB -0.286 38.229 38.460 0.091 0.000 0.976 998 Y HN 0.207 nan 8.280 nan 0.000 0.505 999 I N -0.210 120.343 120.570 -0.028 0.000 2.202 999 I HA -0.319 3.852 4.170 0.002 0.000 0.242 999 I C 2.196 178.281 176.117 -0.054 0.000 1.091 999 I CA 1.358 62.608 61.300 -0.083 0.000 1.368 999 I CB -0.424 37.600 38.000 0.040 0.000 1.058 999 I HN 0.214 nan 8.210 nan 0.000 0.410 1000 L N 0.125 121.331 121.223 -0.029 0.000 2.376 1000 L HA -0.096 4.246 4.340 0.002 0.000 0.219 1000 L C 2.004 178.791 176.870 -0.139 0.000 1.133 1000 L CA 1.360 56.186 54.840 -0.023 0.000 0.816 1000 L CB -0.842 41.208 42.059 -0.016 0.000 0.933 1000 L HN 0.432 nan 8.230 nan 0.000 0.449 1001 T N -4.454 110.003 114.554 -0.161 0.000 3.129 1001 T HA 0.072 4.423 4.350 0.002 0.000 0.267 1001 T C 0.571 175.200 174.700 -0.118 0.000 1.018 1001 T CA -0.425 61.578 62.100 -0.162 0.000 0.903 1001 T CB 0.073 68.888 68.868 -0.089 0.000 1.067 1001 T HN 0.018 nan 8.240 nan 0.000 0.549 1002 K N 1.676 121.987 120.400 -0.149 0.000 2.338 1002 K HA 0.333 4.655 4.320 0.002 0.000 0.290 1002 K C -1.001 175.588 176.600 -0.018 0.000 1.069 1002 K CA -0.712 55.486 56.287 -0.149 0.000 0.941 1002 K CB 0.014 32.365 32.500 -0.247 0.000 1.023 1002 K HN 0.249 nan 8.250 nan 0.000 0.477 1003 F N 2.706 122.746 119.950 0.149 0.000 2.495 1003 F HA 0.003 4.531 4.527 0.003 0.000 0.365 1003 F C 1.239 177.079 175.800 0.066 0.000 1.090 1003 F CA -0.283 57.786 58.000 0.114 0.000 1.235 1003 F CB 0.815 39.871 39.000 0.094 0.000 1.119 1003 F HN 0.496 nan 8.300 nan 0.000 0.562 1004 S N 1.366 117.200 115.700 0.223 0.000 2.592 1004 S HA 0.122 4.594 4.470 0.002 0.000 0.271 1004 S C 0.785 175.448 174.600 0.105 0.000 1.326 1004 S CA -0.882 57.380 58.200 0.105 0.000 1.024 1004 S CB 1.265 64.474 63.200 0.016 0.000 0.921 1004 S HN 0.615 nan 8.310 nan 0.000 0.527 1005 E N 0.999 121.243 120.200 0.073 0.000 2.267 1005 E HA -0.111 4.241 4.350 0.002 0.000 0.197 1005 E C 1.119 177.738 176.600 0.030 0.000 0.998 1005 E CA 1.440 57.875 56.400 0.059 0.000 0.830 1005 E CB -0.233 29.493 29.700 0.044 0.000 0.751 1005 E HN 0.862 nan 8.360 nan 0.000 0.491 1006 D N -0.069 120.335 120.400 0.007 0.000 2.368 1006 D HA -0.018 4.623 4.640 0.002 0.000 0.218 1006 D C -0.129 176.124 176.300 -0.078 0.000 1.112 1006 D CA -0.207 53.774 54.000 -0.031 0.000 0.834 1006 D CB -0.183 40.593 40.800 -0.040 0.000 0.953 1006 D HN -0.062 nan 8.370 nan 0.000 0.505 1007 E N 1.148 121.293 120.200 -0.092 0.000 2.452 1007 E HA 0.071 4.423 4.350 0.002 0.000 0.261 1007 E C -0.298 176.052 176.600 -0.415 0.000 0.987 1007 E CA 0.271 56.508 56.400 -0.272 0.000 0.926 1007 E CB 0.519 29.977 29.700 -0.402 0.000 0.934 1007 E HN 0.102 nan 8.360 nan 0.000 0.452 1008 R N 3.609 123.861 120.500 -0.413 0.000 2.387 1008 R HA 0.303 4.645 4.340 0.002 0.000 0.314 1008 R C -0.796 175.249 176.300 -0.425 0.000 0.958 1008 R CA -0.650 55.258 56.100 -0.319 0.000 0.846 1008 R CB 1.010 31.205 30.300 -0.176 0.000 1.147 1008 R HN 0.540 nan 8.270 nan 0.000 0.447 1009 Y N 0.959 121.206 120.300 -0.088 0.000 2.480 1009 Y HA 0.217 4.769 4.550 0.002 0.000 0.323 1009 Y C 0.488 176.326 175.900 -0.103 0.000 1.267 1009 Y CA -1.017 57.028 58.100 -0.092 0.000 1.336 1009 Y CB 0.548 38.911 38.460 -0.161 0.000 1.361 1009 Y HN 0.349 nan 8.280 nan 0.000 0.518 1010 L N 2.146 123.426 121.223 0.096 0.000 2.660 1010 L HA 0.195 4.537 4.340 0.002 0.000 0.272 1010 L C 0.988 177.720 176.870 -0.231 0.000 1.194 1010 L CA 1.584 56.432 54.840 0.014 0.000 0.945 1010 L CB -0.696 41.393 42.059 0.050 0.000 1.212 1010 L HN 0.861 nan 8.230 nan 0.000 0.490 1011 G N 2.846 111.418 108.800 -0.379 0.000 2.175 1011 G HA2 -0.312 3.649 3.960 0.002 0.000 0.244 1011 G HA3 -0.312 3.649 3.960 0.002 0.000 0.244 1011 G C 0.397 174.727 174.900 -0.949 0.000 0.982 1011 G CA 0.177 44.722 45.100 -0.925 0.000 0.641 1011 G HN 0.885 nan 8.290 nan 0.000 0.527 1012 N N 0.399 118.799 118.700 -0.499 0.000 2.399 1012 N HA 0.345 5.086 4.740 0.002 0.000 0.259 1012 N C -0.165 175.274 175.510 -0.118 0.000 1.160 1012 N CA -0.251 52.643 53.050 -0.260 0.000 0.946 1012 N CB -0.066 38.347 38.487 -0.122 0.000 1.156 1012 N HN 0.191 nan 8.380 nan 0.000 0.489 1013 Y N 1.047 121.324 120.300 -0.040 0.000 2.734 1013 Y HA 0.140 4.691 4.550 0.002 0.000 0.278 1013 Y C 1.886 177.756 175.900 -0.050 0.000 1.108 1013 Y CA -0.766 57.320 58.100 -0.024 0.000 1.211 1013 Y CB -0.544 37.958 38.460 0.070 0.000 1.182 1013 Y HN 0.578 nan 8.280 nan 0.000 0.547 1014 S N -0.659 115.086 115.700 0.075 0.000 2.442 1014 S HA -0.048 4.424 4.470 0.002 0.000 0.236 1014 S C 1.556 176.143 174.600 -0.021 0.000 1.007 1014 S CA 0.853 59.075 58.200 0.036 0.000 0.965 1014 S CB -0.033 63.184 63.200 0.029 0.000 0.773 1014 S HN 0.293 nan 8.310 nan 0.000 0.504 1015 A N 1.730 124.491 122.820 -0.099 0.000 2.827 1015 A HA 0.525 4.846 4.320 0.002 0.000 0.300 1015 A C 0.668 177.848 177.584 -0.675 0.000 1.237 1015 A CA -0.195 51.697 52.037 -0.242 0.000 0.964 1015 A CB -0.417 18.563 19.000 -0.033 0.000 1.143 1015 A HN 0.562 nan 8.150 nan 0.000 0.554 1016 T N -4.320 109.809 114.554 -0.709 0.000 2.952 1016 T HA 0.644 4.996 4.350 0.002 0.000 0.286 1016 T C 0.593 174.765 174.700 -0.880 0.000 1.024 1016 T CA -0.027 61.676 62.100 -0.662 0.000 1.029 1016 T CB 1.880 70.588 68.868 -0.267 0.000 1.094 1016 T HN 0.558 nan 8.240 nan 0.000 0.515 1017 A N 0.018 122.464 122.820 -0.623 0.000 2.415 1017 A HA 0.344 4.665 4.320 0.002 0.000 0.248 1017 A C -0.030 177.460 177.584 -0.156 0.000 1.299 1017 A CA -1.026 50.845 52.037 -0.276 0.000 0.899 1017 A CB -0.764 18.164 19.000 -0.120 0.000 0.997 1017 A HN 0.801 nan 8.150 nan 0.000 0.506 1018 W N 0.446 121.700 121.300 -0.075 0.000 2.216 1018 W HA 0.288 4.949 4.660 0.002 0.000 0.326 1018 W C 0.931 177.471 176.519 0.036 0.000 1.319 1018 W CA -0.413 56.927 57.345 -0.009 0.000 1.213 1018 W CB 0.727 30.187 29.460 0.000 0.000 1.171 1018 W HN 0.279 nan 8.180 nan 0.000 0.557 1019 E N 0.823 121.215 120.200 0.319 0.000 2.441 1019 E HA -0.072 4.279 4.350 0.002 0.000 0.212 1019 E C 0.030 176.736 176.600 0.177 0.000 0.840 1019 E CA 0.155 56.673 56.400 0.197 0.000 1.143 1019 E CB -0.087 29.688 29.700 0.124 0.000 1.153 1019 E HN 0.478 nan 8.360 nan 0.000 0.539 1020 D N 2.030 122.578 120.400 0.247 0.000 2.450 1020 D HA -0.040 4.602 4.640 0.002 0.000 0.247 1020 D C 0.915 177.259 176.300 0.074 0.000 1.162 1020 D CA 0.201 54.296 54.000 0.158 0.000 0.879 1020 D CB 1.193 42.140 40.800 0.244 0.000 1.163 1020 D HN -0.262 nan 8.370 nan 0.000 0.472 1021 K N 3.046 123.459 120.400 0.022 0.000 2.103 1021 K HA -0.117 4.205 4.320 0.002 0.000 0.207 1021 K C 1.382 177.962 176.600 -0.034 0.000 1.048 1021 K CA 1.415 57.701 56.287 -0.002 0.000 0.930 1021 K CB -0.244 32.249 32.500 -0.010 0.000 0.716 1021 K HN 0.595 nan 8.250 nan 0.000 0.444 1022 D N 0.256 120.612 120.400 -0.073 0.000 2.144 1022 D HA -0.048 4.594 4.640 0.002 0.000 0.199 1022 D C 1.979 178.204 176.300 -0.125 0.000 0.984 1022 D CA 1.444 55.379 54.000 -0.108 0.000 0.834 1022 D CB -0.323 40.378 40.800 -0.166 0.000 0.955 1022 D HN 0.368 nan 8.370 nan 0.000 0.465 1023 A N 1.051 123.782 122.820 -0.148 0.000 1.898 1023 A HA -0.101 4.220 4.320 0.002 0.000 0.216 1023 A C 2.421 179.880 177.584 -0.209 0.000 1.181 1023 A CA 0.762 52.637 52.037 -0.269 0.000 0.620 1023 A CB -0.715 18.054 19.000 -0.384 0.000 0.819 1023 A HN 0.171 nan 8.150 nan 0.000 0.442 1024 L N -0.512 120.657 121.223 -0.091 0.000 2.046 1024 L HA -0.189 4.152 4.340 0.002 0.000 0.208 1024 L C 2.065 178.933 176.870 -0.004 0.000 1.077 1024 L CA 1.412 56.237 54.840 -0.024 0.000 0.747 1024 L CB -0.769 41.305 42.059 0.025 0.000 0.896 1024 L HN 0.303 nan 8.230 nan 0.000 0.432 1025 D N 0.413 120.805 120.400 -0.013 0.000 2.117 1025 D HA -0.159 4.482 4.640 0.002 0.000 0.197 1025 D C 2.251 178.570 176.300 0.032 0.000 0.987 1025 D CA 1.555 55.557 54.000 0.002 0.000 0.829 1025 D CB -0.016 40.776 40.800 -0.014 0.000 0.961 1025 D HN 0.302 nan 8.370 nan 0.000 0.460 1026 A N 0.792 123.634 122.820 0.037 0.000 1.908 1026 A HA -0.159 4.162 4.320 0.002 0.000 0.218 1026 A C 2.401 180.153 177.584 0.280 0.000 1.181 1026 A CA 0.971 53.095 52.037 0.145 0.000 0.627 1026 A CB -0.742 18.306 19.000 0.082 0.000 0.818 1026 A HN 0.205 nan 8.150 nan 0.000 0.445 1027 I N 0.077 120.778 120.570 0.218 0.000 2.163 1027 I HA -0.297 3.874 4.170 0.002 0.000 0.243 1027 I C 2.199 178.345 176.117 0.049 0.000 1.085 1027 I CA 1.312 62.686 61.300 0.123 0.000 1.347 1027 I CB -0.550 37.530 38.000 0.134 0.000 1.044 1027 I HN 0.313 nan 8.210 nan 0.000 0.408 1028 N N 1.107 119.832 118.700 0.040 0.000 2.061 1028 N HA -0.194 4.547 4.740 0.002 0.000 0.193 1028 N C 1.909 177.425 175.510 0.009 0.000 1.030 1028 N CA 1.480 54.535 53.050 0.007 0.000 0.856 1028 N CB -0.422 38.071 38.487 0.010 0.000 1.023 1028 N HN 0.367 nan 8.380 nan 0.000 0.424 1029 R N -0.487 120.046 120.500 0.056 0.000 2.096 1029 R HA -0.075 4.266 4.340 0.002 0.000 0.235 1029 R C 2.037 178.399 176.300 0.103 0.000 1.127 1029 R CA 0.836 56.978 56.100 0.071 0.000 0.968 1029 R CB -0.456 29.901 30.300 0.094 0.000 0.861 1029 R HN 0.204 nan 8.270 nan 0.000 0.440 1030 F N 2.286 122.186 119.950 -0.082 0.000 2.113 1030 F HA -0.168 4.360 4.527 0.002 0.000 0.297 1030 F C 2.111 177.798 175.800 -0.188 0.000 1.103 1030 F CA 1.526 59.426 58.000 -0.168 0.000 1.248 1030 F CB -0.375 38.331 39.000 -0.490 0.000 0.999 1030 F HN -0.061 nan 8.300 nan 0.000 0.475 1031 Q N -0.090 119.502 119.800 -0.346 0.000 2.084 1031 Q HA -0.215 4.127 4.340 0.002 0.000 0.202 1031 Q C 1.883 177.726 176.000 -0.261 0.000 0.978 1031 Q CA 1.779 57.331 55.803 -0.419 0.000 0.844 1031 Q CB -0.350 28.218 28.738 -0.282 0.000 0.898 1031 Q HN 0.360 nan 8.270 nan 0.000 0.426 1032 D N 0.075 120.388 120.400 -0.145 0.000 2.123 1032 D HA -0.165 4.476 4.640 0.002 0.000 0.196 1032 D C 1.859 178.110 176.300 -0.082 0.000 0.992 1032 D CA 1.234 55.180 54.000 -0.091 0.000 0.833 1032 D CB -0.220 40.553 40.800 -0.044 0.000 0.954 1032 D HN -0.005 nan 8.370 nan 0.000 0.455 1033 K N 0.304 120.664 120.400 -0.066 0.000 2.057 1033 K HA -0.024 4.298 4.320 0.002 0.000 0.206 1033 K C 2.408 178.959 176.600 -0.082 0.000 1.050 1033 K CA 0.450 56.719 56.287 -0.031 0.000 0.935 1033 K CB -0.807 31.727 32.500 0.056 0.000 0.715 1033 K HN 0.258 nan 8.250 nan 0.000 0.439 1034 L N 0.607 121.708 121.223 -0.203 0.000 2.083 1034 L HA -0.104 4.237 4.340 0.002 0.000 0.209 1034 L C 2.972 179.749 176.870 -0.154 0.000 1.083 1034 L CA 2.179 56.885 54.840 -0.225 0.000 0.752 1034 L CB -0.529 41.274 42.059 -0.427 0.000 0.899 1034 L HN 0.497 nan 8.230 nan 0.000 0.433 1035 E N 0.230 120.339 120.200 -0.152 0.000 2.110 1035 E HA -0.239 4.113 4.350 0.002 0.000 0.193 1035 E C 1.618 178.174 176.600 -0.073 0.000 0.988 1035 E CA 1.365 57.699 56.400 -0.111 0.000 0.804 1035 E CB 0.148 29.786 29.700 -0.104 0.000 0.745 1035 E HN 0.446 nan 8.360 nan 0.000 0.458 1036 D N 0.473 120.839 120.400 -0.057 0.000 2.097 1036 D HA -0.158 4.483 4.640 0.002 0.000 0.195 1036 D C 2.064 178.351 176.300 -0.022 0.000 0.989 1036 D CA 0.961 54.943 54.000 -0.031 0.000 0.827 1036 D CB -0.226 40.565 40.800 -0.015 0.000 0.966 1036 D HN 0.316 nan 8.370 nan 0.000 0.456 1037 I N 1.047 121.604 120.570 -0.021 0.000 2.226 1037 I HA -0.259 3.913 4.170 0.002 0.000 0.245 1037 I C 2.388 178.498 176.117 -0.011 0.000 1.100 1037 I CA 0.803 62.102 61.300 -0.002 0.000 1.374 1037 I CB -0.154 37.853 38.000 0.012 0.000 1.057 1037 I HN -0.100 nan 8.210 nan 0.000 0.413 1038 S N 0.719 116.396 115.700 -0.039 0.000 2.353 1038 S HA -0.230 4.241 4.470 0.002 0.000 0.222 1038 S C 1.951 176.526 174.600 -0.042 0.000 1.035 1038 S CA 1.437 59.607 58.200 -0.050 0.000 1.025 1038 S CB -0.287 62.866 63.200 -0.079 0.000 0.902 1038 S HN 0.374 nan 8.310 nan 0.000 0.440 1039 K N 1.098 121.474 120.400 -0.040 0.000 2.032 1039 K HA -0.100 4.221 4.320 0.002 0.000 0.209 1039 K C 2.255 178.842 176.600 -0.021 0.000 1.048 1039 K CA 1.301 57.568 56.287 -0.033 0.000 0.927 1039 K CB -0.182 32.300 32.500 -0.030 0.000 0.712 1039 K HN 0.262 nan 8.250 nan 0.000 0.441 1040 K N 0.674 121.067 120.400 -0.011 0.000 2.057 1040 K HA -0.105 4.216 4.320 0.002 0.000 0.207 1040 K C 2.112 178.714 176.600 0.004 0.000 1.049 1040 K CA 1.261 57.549 56.287 0.001 0.000 0.931 1040 K CB -0.144 32.364 32.500 0.013 0.000 0.714 1040 K HN 0.121 nan 8.250 nan 0.000 0.440 1041 I N 1.185 121.758 120.570 0.005 0.000 2.226 1041 I HA -0.291 3.880 4.170 0.002 0.000 0.245 1041 I C 2.110 178.214 176.117 -0.020 0.000 1.100 1041 I CA 1.352 62.656 61.300 0.007 0.000 1.374 1041 I CB -0.130 37.884 38.000 0.023 0.000 1.057 1041 I HN 0.121 nan 8.210 nan 0.000 0.413 1042 K N 0.390 120.772 120.400 -0.030 0.000 2.057 1042 K HA -0.197 4.125 4.320 0.002 0.000 0.207 1042 K C 2.165 178.743 176.600 -0.036 0.000 1.049 1042 K CA 1.302 57.564 56.287 -0.041 0.000 0.931 1042 K CB -0.143 32.329 32.500 -0.047 0.000 0.714 1042 K HN 0.376 nan 8.250 nan 0.000 0.440 1043 Q N 0.294 120.079 119.800 -0.026 0.000 2.061 1043 Q HA -0.176 4.165 4.340 0.002 0.000 0.204 1043 Q C 2.279 178.267 176.000 -0.020 0.000 0.984 1043 Q CA 1.134 56.926 55.803 -0.019 0.000 0.846 1043 Q CB -0.146 28.586 28.738 -0.010 0.000 0.902 1043 Q HN 0.161 nan 8.270 nan 0.000 0.421 1044 R N 1.037 121.524 120.500 -0.022 0.000 2.083 1044 R HA -0.150 4.191 4.340 0.002 0.000 0.237 1044 R C 1.547 177.801 176.300 -0.077 0.000 1.137 1044 R CA 1.532 57.609 56.100 -0.037 0.000 0.951 1044 R CB -0.437 29.845 30.300 -0.030 0.000 0.851 1044 R HN 0.304 nan 8.270 nan 0.000 0.434 1045 N N 1.374 120.026 118.700 -0.080 0.000 2.223 1045 N HA -0.172 4.570 4.740 0.002 0.000 0.185 1045 N C 1.415 176.889 175.510 -0.060 0.000 1.016 1045 N CA 1.557 54.553 53.050 -0.091 0.000 0.863 1045 N CB -0.208 38.232 38.487 -0.080 0.000 0.983 1045 N HN 0.566 nan 8.380 nan 0.000 0.429 1046 E N -0.360 119.815 120.200 -0.042 0.000 2.418 1046 E HA -0.018 4.334 4.350 0.002 0.000 0.197 1046 E C 0.226 176.816 176.600 -0.017 0.000 1.026 1046 E CA 0.639 57.022 56.400 -0.029 0.000 0.862 1046 E CB -0.136 29.550 29.700 -0.023 0.000 0.799 1046 E HN 0.265 nan 8.360 nan 0.000 0.518 1047 N N 0.726 119.416 118.700 -0.017 0.000 2.214 1047 N HA 0.192 4.933 4.740 0.002 0.000 0.214 1047 N C -0.324 175.194 175.510 0.014 0.000 1.132 1047 N CA 0.143 53.195 53.050 0.003 0.000 0.856 1047 N CB 0.896 39.390 38.487 0.012 0.000 1.020 1047 N HN 0.173 nan 8.380 nan 0.000 0.509 1048 L N 0.404 121.624 121.223 -0.006 0.000 2.331 1048 L HA 0.294 4.636 4.340 0.002 0.000 0.275 1048 L C 1.728 178.623 176.870 0.041 0.000 1.022 1048 L CA -0.483 54.370 54.840 0.021 0.000 0.812 1048 L CB 2.311 44.339 42.059 -0.052 0.000 1.257 1048 L HN -0.042 nan 8.230 nan 0.000 0.435 1049 E N 1.111 121.371 120.200 0.100 0.000 2.106 1049 E HA -0.077 4.275 4.350 0.002 0.000 0.192 1049 E C -0.255 176.327 176.600 -0.030 0.000 0.984 1049 E CA 0.834 57.274 56.400 0.067 0.000 0.806 1049 E CB 0.458 30.264 29.700 0.176 0.000 0.750 1049 E HN 0.360 nan 8.360 nan 0.000 0.458 1050 V N 2.753 122.672 119.914 0.009 0.000 2.385 1050 V HA 0.257 4.378 4.120 0.002 0.000 0.277 1050 V C -2.417 173.718 176.094 0.069 0.000 1.012 1050 V CA -1.672 60.607 62.300 -0.036 0.000 0.832 1050 V CB 1.233 32.969 31.823 -0.146 0.000 1.028 1050 V HN 0.105 nan 8.190 nan 0.000 0.436 1051 P HA -0.039 nan 4.420 nan 0.000 0.263 1051 P C -1.039 176.252 177.300 -0.016 0.000 1.175 1051 P CA 0.313 63.390 63.100 -0.038 0.000 0.761 1051 P CB 0.170 31.827 31.700 -0.072 0.000 0.794 1052 Y N 4.642 124.845 120.300 -0.163 0.000 2.434 1052 Y HA 0.349 4.900 4.550 0.002 0.000 0.341 1052 Y C 1.004 176.748 175.900 -0.261 0.000 0.965 1052 Y CA -0.241 57.743 58.100 -0.193 0.000 1.205 1052 Y CB 0.181 38.657 38.460 0.026 0.000 1.121 1052 Y HN 0.303 nan 8.280 nan 0.000 0.507 1053 I N 1.296 121.368 120.570 -0.831 0.000 4.139 1053 I HA 0.094 4.265 4.170 0.002 0.000 0.335 1053 I C 0.292 176.161 176.117 -0.414 0.000 1.327 1053 I CA -0.049 60.965 61.300 -0.477 0.000 1.112 1053 I CB -0.099 37.717 38.000 -0.307 0.000 1.058 1053 I HN 0.477 nan 8.210 nan 0.000 0.396 1054 Y N 1.602 121.657 120.300 -0.408 0.000 2.421 1054 Y HA 0.095 4.647 4.550 0.002 0.000 0.292 1054 Y C 1.795 177.677 175.900 -0.030 0.000 1.136 1054 Y CA 0.535 58.526 58.100 -0.181 0.000 1.255 1054 Y CB -0.154 38.196 38.460 -0.183 0.000 0.991 1054 Y HN 0.191 nan 8.280 nan 0.000 0.552 1055 L N 0.467 121.737 121.223 0.078 0.000 2.818 1055 L HA 0.207 4.548 4.340 0.002 0.000 0.243 1055 L C -0.233 176.696 176.870 0.098 0.000 1.185 1055 L CA -0.200 54.749 54.840 0.181 0.000 0.988 1055 L CB 0.097 42.356 42.059 0.332 0.000 1.292 1055 L HN 0.145 nan 8.230 nan 0.000 0.519 1056 L N 1.650 122.882 121.223 0.015 0.000 2.462 1056 L HA 0.040 4.381 4.340 0.002 0.000 0.272 1056 L C -1.036 175.807 176.870 -0.045 0.000 1.166 1056 L CA -1.206 53.614 54.840 -0.033 0.000 0.880 1056 L CB 0.599 42.601 42.059 -0.095 0.000 1.142 1056 L HN -0.117 nan 8.230 nan 0.000 0.473 1057 P HA -0.241 nan 4.420 nan 0.000 0.217 1057 P C 1.157 178.393 177.300 -0.106 0.000 1.151 1057 P CA 1.263 64.326 63.100 -0.062 0.000 0.849 1057 P CB 0.092 31.726 31.700 -0.110 0.000 0.787 1058 E N -0.307 119.772 120.200 -0.201 0.000 2.418 1058 E HA -0.132 4.220 4.350 0.002 0.000 0.197 1058 E C 1.416 177.572 176.600 -0.739 0.000 1.026 1058 E CA 0.696 56.867 56.400 -0.381 0.000 0.862 1058 E CB -0.313 29.180 29.700 -0.346 0.000 0.799 1058 E HN 0.286 nan 8.360 nan 0.000 0.518 1059 R N 0.377 120.606 120.500 -0.452 0.000 2.437 1059 R HA 0.362 4.703 4.340 0.002 0.000 0.257 1059 R C 0.156 176.416 176.300 -0.068 0.000 0.927 1059 R CA -0.131 55.684 56.100 -0.475 0.000 1.078 1059 R CB 0.731 30.890 30.300 -0.235 0.000 1.161 1059 R HN 0.149 nan 8.270 nan 0.000 0.529 1060 I N 2.971 123.620 120.570 0.131 0.000 2.328 1060 I HA 0.267 4.439 4.170 0.002 0.000 0.287 1060 I C -2.381 173.954 176.117 0.362 0.000 1.012 1060 I CA -2.547 58.913 61.300 0.267 0.000 1.195 1060 I CB 1.572 39.688 38.000 0.193 0.000 1.350 1060 I HN -0.339 nan 8.210 nan 0.000 0.464 1061 P HA 0.097 nan 4.420 nan 0.000 0.269 1061 P C 0.330 177.760 177.300 0.217 0.000 1.209 1061 P CA -0.168 63.022 63.100 0.150 0.000 0.776 1061 P CB 0.574 32.435 31.700 0.269 0.000 0.876 1062 N N 0.465 119.245 118.700 0.133 0.000 2.192 1062 N HA -0.106 4.635 4.740 0.002 0.000 0.188 1062 N C 1.097 176.817 175.510 0.350 0.000 1.013 1062 N CA 1.470 54.662 53.050 0.235 0.000 0.863 1062 N CB -0.280 38.212 38.487 0.009 0.000 0.990 1062 N HN 0.541 nan 8.380 nan 0.000 0.430 1063 G N -1.863 107.089 108.800 0.254 0.000 3.015 1063 G HA2 0.441 4.402 3.960 0.002 0.000 0.281 1063 G HA3 0.441 4.402 3.960 0.002 0.000 0.281 1063 G C -1.200 173.814 174.900 0.189 0.000 1.386 1063 G CA -0.336 44.879 45.100 0.193 0.000 0.959 1063 G HN -0.066 nan 8.290 nan 0.000 0.522 1064 T N 0.829 115.411 114.554 0.047 0.000 2.929 1064 T HA 0.523 4.875 4.350 0.002 0.000 0.331 1064 T C 0.617 175.201 174.700 -0.194 0.000 1.120 1064 T CA 0.417 62.335 62.100 -0.303 0.000 0.973 1064 T CB 0.985 69.598 68.868 -0.425 0.000 1.036 1064 T HN 0.821 nan 8.240 nan 0.000 0.502 1065 A N 3.387 126.201 122.820 -0.010 0.000 2.551 1065 A HA 0.656 4.977 4.320 0.002 0.000 0.252 1065 A C 0.124 177.878 177.584 0.283 0.000 1.199 1065 A CA -0.068 52.044 52.037 0.124 0.000 0.972 1065 A CB 0.283 19.342 19.000 0.099 0.000 1.153 1065 A HN 0.612 nan 8.150 nan 0.000 0.559 1066 I N 0.000 120.752 120.570 0.303 0.000 2.984 1066 I HA 0.000 4.171 4.170 0.002 0.000 0.288 1066 I CA 0.000 61.509 61.300 0.348 0.000 1.566 1066 I CB 0.000 38.166 38.000 0.277 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494