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 3fg3_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 ELWGSGGIVD 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 0.000 175.228 175.328 -0.167 0.000 0.993 373 H CA 0.000 55.968 56.048 -0.133 0.000 1.023 373 H CB 0.000 29.720 29.762 -0.069 0.000 1.292 374 A N 1.380 124.072 122.820 -0.214 0.000 2.384 374 A HA 0.839 5.160 4.320 0.003 0.000 0.312 374 A C -0.479 176.817 177.584 -0.480 0.000 1.113 374 A CA -0.543 51.260 52.037 -0.390 0.000 0.779 374 A CB 0.917 19.572 19.000 -0.575 0.000 1.307 374 A HN 0.879 nan 8.150 nan 0.000 0.436 375 I N 1.360 121.674 120.570 -0.427 0.000 2.339 375 I HA 0.276 4.448 4.170 0.003 0.000 0.290 375 I C -1.296 174.584 176.117 -0.395 0.000 0.994 375 I CA -0.243 60.882 61.300 -0.292 0.000 1.191 375 I CB 0.994 38.925 38.000 -0.115 0.000 1.343 375 I HN 0.605 nan 8.210 nan 0.000 0.458 376 Y N 4.950 125.291 120.300 0.068 0.000 2.335 376 Y HA 0.294 4.846 4.550 0.003 0.000 0.339 376 Y C 0.391 176.353 175.900 0.104 0.000 0.987 376 Y CA -0.874 57.277 58.100 0.086 0.000 1.140 376 Y CB 0.717 39.221 38.460 0.073 0.000 1.173 376 Y HN 0.461 nan 8.280 nan 0.000 0.486 377 N N 3.311 122.158 118.700 0.244 0.000 2.408 377 N HA 0.266 5.008 4.740 0.003 0.000 0.257 377 N C -1.170 174.483 175.510 0.239 0.000 1.064 377 N CA -0.130 53.042 53.050 0.204 0.000 0.952 377 N CB 1.760 40.336 38.487 0.150 0.000 1.093 377 N HN 0.287 nan 8.380 nan 0.000 0.490 378 V N 1.917 121.984 119.914 0.254 0.000 2.409 378 V HA 0.299 4.420 4.120 0.003 0.000 0.291 378 V C 0.159 176.437 176.094 0.306 0.000 1.020 378 V CA -0.765 61.693 62.300 0.262 0.000 0.848 378 V CB 1.891 33.865 31.823 0.251 0.000 0.990 378 V HN 0.583 nan 8.190 nan 0.000 0.430 379 E N 3.931 124.284 120.200 0.254 0.000 2.187 379 E HA 0.686 5.038 4.350 0.003 0.000 0.268 379 E C -1.781 174.964 176.600 0.243 0.000 0.896 379 E CA -0.513 56.035 56.400 0.245 0.000 0.766 379 E CB 2.180 31.982 29.700 0.170 0.000 1.142 379 E HN 0.470 nan 8.360 nan 0.000 0.408 380 V N 4.314 124.419 119.914 0.318 0.000 2.487 380 V HA 0.270 4.392 4.120 0.003 0.000 0.298 380 V C -0.618 175.599 176.094 0.206 0.000 1.028 380 V CA -0.809 61.637 62.300 0.244 0.000 0.860 380 V CB 1.655 33.698 31.823 0.367 0.000 0.991 380 V HN 0.718 nan 8.190 nan 0.000 0.427 381 E N 2.634 122.864 120.200 0.051 0.000 2.115 381 E HA 0.412 4.764 4.350 0.003 0.000 0.282 381 E C -0.566 175.987 176.600 -0.078 0.000 0.987 381 E CA -0.391 56.020 56.400 0.019 0.000 0.797 381 E CB 1.477 31.163 29.700 -0.024 0.000 1.086 381 E HN 0.596 nan 8.360 nan 0.000 0.397 382 T N 1.980 116.559 114.554 0.042 0.000 2.845 382 T HA 0.332 4.683 4.350 0.003 0.000 0.288 382 T C 0.565 175.278 174.700 0.022 0.000 0.980 382 T CA -0.645 61.463 62.100 0.014 0.000 1.071 382 T CB 1.340 70.380 68.868 0.286 0.000 0.941 382 T HN 0.562 nan 8.240 nan 0.000 0.487 383 G N 0.945 109.764 108.800 0.031 0.000 2.664 383 G HA2 0.071 4.032 3.960 0.003 0.000 0.242 383 G HA3 0.071 4.032 3.960 0.003 0.000 0.242 383 G C 0.545 175.457 174.900 0.019 0.000 1.225 383 G CA -0.403 44.733 45.100 0.060 0.000 0.849 383 G HN 0.770 nan 8.290 nan 0.000 0.581 384 D N -0.446 119.947 120.400 -0.012 0.000 2.355 384 D HA -0.029 4.612 4.640 0.003 0.000 0.218 384 D C 1.389 177.669 176.300 -0.033 0.000 1.004 384 D CA 0.157 54.154 54.000 -0.006 0.000 0.880 384 D CB 0.337 41.137 40.800 0.000 0.000 0.911 384 D HN 0.509 nan 8.370 nan 0.000 0.528 385 R N 1.685 122.119 120.500 -0.110 0.000 2.738 385 R HA 0.150 4.492 4.340 0.003 0.000 0.268 385 R C 0.249 176.566 176.300 0.028 0.000 1.062 385 R CA -0.373 55.680 56.100 -0.079 0.000 1.158 385 R CB 0.705 30.892 30.300 -0.189 0.000 1.046 385 R HN -0.138 nan 8.270 nan 0.000 0.493 386 E N 1.176 121.409 120.200 0.055 0.000 2.608 386 E HA -0.203 4.148 4.350 0.003 0.000 0.259 386 E C -0.408 176.319 176.600 0.211 0.000 0.951 386 E CA 0.557 56.983 56.400 0.044 0.000 0.945 386 E CB 0.134 29.847 29.700 0.022 0.000 0.916 386 E HN 0.769 nan 8.360 nan 0.000 0.477 387 H N 0.543 119.749 119.070 0.226 0.000 3.415 387 H HA -0.246 4.311 4.556 0.003 0.000 0.213 387 H C 0.981 176.589 175.328 0.466 0.000 1.091 387 H CA 0.800 57.027 56.048 0.298 0.000 1.182 387 H CB -1.729 28.183 29.762 0.249 0.000 1.160 387 H HN 0.566 nan 8.280 nan 0.000 0.319 388 A N 0.851 123.923 122.820 0.421 0.000 2.019 388 A HA 0.116 4.438 4.320 0.003 0.000 0.219 388 A C 1.989 179.826 177.584 0.422 0.000 1.164 388 A CA 1.362 53.576 52.037 0.294 0.000 0.644 388 A CB -0.404 18.650 19.000 0.090 0.000 0.805 388 A HN 0.502 nan 8.150 nan 0.000 0.449 389 G N -1.809 107.209 108.800 0.364 0.000 2.634 389 G HA2 0.438 4.399 3.960 0.003 0.000 0.255 389 G HA3 0.438 4.399 3.960 0.003 0.000 0.255 389 G C -0.252 174.818 174.900 0.283 0.000 1.205 389 G CA 0.647 45.951 45.100 0.340 0.000 0.884 389 G HN 0.361 nan 8.290 nan 0.000 0.549 390 T N -1.513 113.094 114.554 0.089 0.000 2.916 390 T HA 0.402 4.754 4.350 0.003 0.000 0.305 390 T C -0.608 174.081 174.700 -0.019 0.000 1.119 390 T CA -0.307 61.778 62.100 -0.026 0.000 1.008 390 T CB 1.767 70.458 68.868 -0.295 0.000 1.129 390 T HN 0.562 nan 8.240 nan 0.000 0.480 391 D N 1.851 122.255 120.400 0.007 0.000 2.462 391 D HA 0.351 4.993 4.640 0.003 0.000 0.221 391 D C 0.773 177.063 176.300 -0.017 0.000 1.173 391 D CA -0.329 53.676 54.000 0.009 0.000 0.831 391 D CB -0.043 40.783 40.800 0.044 0.000 1.001 391 D HN 0.621 nan 8.370 nan 0.000 0.499 392 A N 0.272 123.053 122.820 -0.065 0.000 2.429 392 A HA 0.412 4.733 4.320 0.003 0.000 0.242 392 A C 0.531 178.063 177.584 -0.087 0.000 1.088 392 A CA -0.042 51.949 52.037 -0.077 0.000 0.784 392 A CB -0.001 18.932 19.000 -0.111 0.000 1.038 392 A HN 0.165 nan 8.150 nan 0.000 0.501 393 T N 2.540 117.057 114.554 -0.062 0.000 2.779 393 T HA 0.394 4.745 4.350 0.003 0.000 0.296 393 T C -0.007 174.651 174.700 -0.070 0.000 0.938 393 T CA 0.225 62.297 62.100 -0.045 0.000 1.119 393 T CB -0.179 68.680 68.868 -0.014 0.000 0.891 393 T HN 0.329 nan 8.240 nan 0.000 0.526 394 I N 4.557 125.087 120.570 -0.065 0.000 2.377 394 I HA 0.392 4.564 4.170 0.003 0.000 0.293 394 I C 0.900 177.023 176.117 0.011 0.000 0.987 394 I CA -0.693 60.565 61.300 -0.071 0.000 1.185 394 I CB 1.306 39.194 38.000 -0.186 0.000 1.341 394 I HN 0.678 nan 8.210 nan 0.000 0.455 395 T N 4.452 119.054 114.554 0.081 0.000 2.924 395 T HA 0.796 5.147 4.350 0.003 0.000 0.291 395 T C -0.416 174.422 174.700 0.231 0.000 1.045 395 T CA -0.784 61.406 62.100 0.150 0.000 1.015 395 T CB 2.690 71.677 68.868 0.197 0.000 1.103 395 T HN 0.461 nan 8.240 nan 0.000 0.496 396 I N 0.419 121.101 120.570 0.186 0.000 2.582 396 I HA 0.631 4.802 4.170 0.003 0.000 0.292 396 I C -0.803 175.257 176.117 -0.096 0.000 1.066 396 I CA -1.243 60.099 61.300 0.071 0.000 1.053 396 I CB 1.988 39.959 38.000 -0.048 0.000 1.241 396 I HN 0.723 nan 8.210 nan 0.000 0.421 397 R N 7.614 127.905 120.500 -0.348 0.000 2.445 397 R HA 0.662 5.003 4.340 0.003 0.000 0.308 397 R C -1.562 174.494 176.300 -0.407 0.000 0.961 397 R CA -0.531 55.211 56.100 -0.596 0.000 0.862 397 R CB 1.325 30.907 30.300 -1.197 0.000 1.144 397 R HN 0.612 nan 8.270 nan 0.000 0.447 398 I N 2.834 123.179 120.570 -0.375 0.000 2.412 398 I HA 0.344 4.516 4.170 0.003 0.000 0.296 398 I C -0.292 175.676 176.117 -0.248 0.000 0.987 398 I CA -0.647 60.439 61.300 -0.356 0.000 1.180 398 I CB 2.324 39.997 38.000 -0.544 0.000 1.340 398 I HN 0.557 nan 8.210 nan 0.000 0.455 399 T N 3.780 118.228 114.554 -0.176 0.000 2.848 399 T HA 0.703 5.054 4.350 0.003 0.000 0.285 399 T C -0.042 174.623 174.700 -0.057 0.000 0.995 399 T CA -0.628 61.408 62.100 -0.107 0.000 0.970 399 T CB 1.963 70.780 68.868 -0.084 0.000 0.976 399 T HN 0.898 nan 8.240 nan 0.000 0.441 400 G N 0.237 109.027 108.800 -0.016 0.000 2.827 400 G HA2 0.634 4.595 3.960 0.003 0.000 0.296 400 G HA3 0.634 4.595 3.960 0.003 0.000 0.296 400 G C 0.905 175.830 174.900 0.042 0.000 1.362 400 G CA -0.100 45.009 45.100 0.016 0.000 0.809 400 G HN 0.717 nan 8.290 nan 0.000 0.522 401 A N -0.370 122.486 122.820 0.059 0.000 1.958 401 A HA -0.064 4.257 4.320 0.003 0.000 0.221 401 A C 1.951 179.582 177.584 0.078 0.000 1.178 401 A CA 2.142 54.215 52.037 0.060 0.000 0.642 401 A CB -0.385 18.653 19.000 0.064 0.000 0.816 401 A HN 0.518 nan 8.150 nan 0.000 0.453 402 K N -1.521 118.962 120.400 0.138 0.000 2.367 402 K HA 0.373 4.695 4.320 0.003 0.000 0.194 402 K C 0.859 177.593 176.600 0.223 0.000 1.027 402 K CA 0.471 56.887 56.287 0.215 0.000 1.075 402 K CB 0.356 33.029 32.500 0.289 0.000 0.845 402 K HN 0.582 nan 8.250 nan 0.000 0.529 403 G N 1.284 110.130 108.800 0.077 0.000 2.334 403 G HA2 0.018 3.979 3.960 0.003 0.000 0.249 403 G HA3 0.018 3.979 3.960 0.003 0.000 0.249 403 G C -1.786 172.987 174.900 -0.213 0.000 1.327 403 G CA -0.995 43.991 45.100 -0.191 0.000 0.979 403 G HN 0.083 nan 8.290 nan 0.000 0.471 404 R N 0.063 120.314 120.500 -0.415 0.000 2.628 404 R HA 0.671 5.012 4.340 0.003 0.000 0.288 404 R C 0.725 176.859 176.300 -0.276 0.000 0.980 404 R CA 0.110 56.045 56.100 -0.274 0.000 0.891 404 R CB 1.745 31.896 30.300 -0.249 0.000 1.188 404 R HN 1.054 nan 8.270 nan 0.000 0.450 405 T N -0.476 113.989 114.554 -0.148 0.000 2.788 405 T HA 0.137 4.488 4.350 0.003 0.000 0.287 405 T C 0.380 174.993 174.700 -0.144 0.000 1.007 405 T CA -0.665 61.395 62.100 -0.066 0.000 1.005 405 T CB 0.736 69.571 68.868 -0.055 0.000 1.012 405 T HN 0.458 nan 8.240 nan 0.000 0.530 406 D N -0.486 119.875 120.400 -0.065 0.000 2.369 406 D HA 0.077 4.719 4.640 0.003 0.000 0.241 406 D C -0.371 175.856 176.300 -0.122 0.000 1.271 406 D CA 0.027 53.990 54.000 -0.062 0.000 0.942 406 D CB 0.318 41.132 40.800 0.024 0.000 1.129 406 D HN 0.566 nan 8.370 nan 0.000 0.476 407 Y N 0.592 120.867 120.300 -0.043 0.000 2.569 407 Y HA 0.075 4.627 4.550 0.003 0.000 0.332 407 Y C 0.265 176.155 175.900 -0.017 0.000 1.120 407 Y CA 0.040 58.115 58.100 -0.042 0.000 1.416 407 Y CB 0.318 38.745 38.460 -0.055 0.000 1.210 407 Y HN 0.034 nan 8.280 nan 0.000 0.528 408 L N 4.790 126.074 121.223 0.101 0.000 2.309 408 L HA 0.425 4.766 4.340 0.003 0.000 0.282 408 L C -0.115 176.802 176.870 0.079 0.000 1.036 408 L CA -1.075 53.814 54.840 0.081 0.000 0.806 408 L CB 1.289 43.382 42.059 0.057 0.000 1.220 408 L HN 0.441 nan 8.230 nan 0.000 0.429 409 K N 2.927 123.366 120.400 0.065 0.000 2.368 409 K HA 0.356 4.678 4.320 0.003 0.000 0.282 409 K C -0.784 175.805 176.600 -0.018 0.000 1.035 409 K CA -0.086 56.221 56.287 0.034 0.000 0.973 409 K CB 0.583 33.106 32.500 0.039 0.000 0.957 409 K HN 0.461 nan 8.250 nan 0.000 0.474 410 L N 3.955 125.107 121.223 -0.118 0.000 2.360 410 L HA 0.224 4.565 4.340 0.003 0.000 0.265 410 L C -0.263 176.430 176.870 -0.296 0.000 1.066 410 L CA -0.199 54.377 54.840 -0.440 0.000 0.929 410 L CB 0.545 42.220 42.059 -0.639 0.000 1.306 410 L HN 0.591 nan 8.230 nan 0.000 0.434 411 D N 2.019 122.390 120.400 -0.050 0.000 2.992 411 D HA 0.213 4.854 4.640 0.003 0.000 0.372 411 D C -0.462 175.885 176.300 0.078 0.000 1.374 411 D CA -0.211 53.794 54.000 0.008 0.000 0.769 411 D CB 0.589 41.395 40.800 0.010 0.000 1.215 411 D HN 0.187 nan 8.370 nan 0.000 0.473 412 K N 0.020 120.535 120.400 0.190 0.000 2.545 412 K HA 0.687 5.008 4.320 0.003 0.000 0.252 412 K C 0.041 176.641 176.600 -0.000 0.000 0.948 412 K CA -0.457 55.877 56.287 0.078 0.000 0.827 412 K CB 2.004 34.543 32.500 0.064 0.000 1.128 412 K HN 0.219 nan 8.250 nan 0.000 0.429 413 G N 1.251 110.013 108.800 -0.063 0.000 2.655 413 G HA2 -0.189 3.773 3.960 0.003 0.000 0.680 413 G HA3 -0.189 3.773 3.960 0.003 0.000 0.680 413 G C -0.448 174.349 174.900 -0.172 0.000 1.302 413 G CA -0.475 44.556 45.100 -0.114 0.000 0.872 413 G HN 0.667 nan 8.290 nan 0.000 0.540 419 E N 1.395 121.752 120.200 0.263 0.000 2.349 419 E HA 0.541 4.892 4.350 0.003 0.000 0.262 419 E C 0.188 176.921 176.600 0.222 0.000 1.088 419 E CA -0.414 56.105 56.400 0.199 0.000 0.899 419 E CB 1.392 31.166 29.700 0.123 0.000 1.044 419 E HN 0.499 nan 8.360 nan 0.000 0.420 420 A N 0.563 123.489 122.820 0.176 0.000 2.540 420 A HA 0.350 4.672 4.320 0.003 0.000 0.239 420 A C 1.293 178.945 177.584 0.114 0.000 1.061 420 A CA 0.906 53.030 52.037 0.145 0.000 0.758 420 A CB -0.513 18.546 19.000 0.099 0.000 0.991 420 A HN 0.794 nan 8.150 nan 0.000 0.502 421 G N 1.360 110.222 108.800 0.102 0.000 2.205 421 G HA2 -0.216 3.746 3.960 0.003 0.000 0.261 421 G HA3 -0.216 3.746 3.960 0.003 0.000 0.261 421 G C 0.644 175.604 174.900 0.101 0.000 0.980 421 G CA 1.018 46.167 45.100 0.082 0.000 0.632 421 G HN 2.183 nan 8.290 nan 0.000 0.533 422 S N -0.483 115.304 115.700 0.145 0.000 2.603 422 S HA 0.661 5.133 4.470 0.003 0.000 0.268 422 S C -0.114 174.586 174.600 0.167 0.000 1.317 422 S CA -0.090 58.203 58.200 0.154 0.000 1.012 422 S CB 1.788 65.105 63.200 0.196 0.000 0.926 422 S HN 0.424 nan 8.310 nan 0.000 0.539 423 K N 1.574 122.057 120.400 0.137 0.000 2.507 423 K HA 0.385 4.706 4.320 0.003 0.000 0.253 423 K C -0.967 175.713 176.600 0.133 0.000 0.969 423 K CA -0.519 55.853 56.287 0.142 0.000 0.908 423 K CB 1.156 33.714 32.500 0.096 0.000 1.127 423 K HN 0.561 nan 8.250 nan 0.000 0.437 424 E N 2.495 122.824 120.200 0.214 0.000 2.212 424 E HA 0.266 4.618 4.350 0.003 0.000 0.268 424 E C -0.720 175.901 176.600 0.036 0.000 0.902 424 E CA -0.645 55.817 56.400 0.104 0.000 0.779 424 E CB 2.289 32.118 29.700 0.215 0.000 1.172 424 E HN 0.440 nan 8.360 nan 0.000 0.409 425 Q N 1.440 121.072 119.800 -0.280 0.000 2.306 425 Q HA 0.567 4.908 4.340 0.003 0.000 0.265 425 Q C -1.104 174.491 176.000 -0.674 0.000 1.022 425 Q CA -0.718 54.937 55.803 -0.247 0.000 0.853 425 Q CB 1.878 30.547 28.738 -0.117 0.000 1.327 425 Q HN 0.425 nan 8.270 nan 0.000 0.449 426 Y N -0.561 119.792 120.300 0.088 0.000 2.562 426 Y HA 0.446 4.997 4.550 0.003 0.000 0.345 426 Y C -0.427 175.528 175.900 0.091 0.000 1.045 426 Y CA -0.838 57.309 58.100 0.080 0.000 1.028 426 Y CB 2.673 41.196 38.460 0.104 0.000 1.297 426 Y HN 0.404 nan 8.280 nan 0.000 0.463 427 T N 3.107 117.789 114.554 0.214 0.000 2.864 427 T HA 0.601 4.953 4.350 0.003 0.000 0.299 427 T C -0.974 173.831 174.700 0.176 0.000 1.011 427 T CA -0.678 61.520 62.100 0.163 0.000 0.975 427 T CB 0.391 69.315 68.868 0.094 0.000 0.962 427 T HN 0.533 nan 8.240 nan 0.000 0.448 428 V N 1.859 121.895 119.914 0.203 0.000 3.001 428 V HA 0.788 4.910 4.120 0.003 0.000 0.314 428 V C -0.863 175.354 176.094 0.206 0.000 1.099 428 V CA -1.239 61.178 62.300 0.195 0.000 0.989 428 V CB 2.113 34.054 31.823 0.198 0.000 1.040 428 V HN 0.779 nan 8.190 nan 0.000 0.434 429 Q N 0.918 120.817 119.800 0.166 0.000 2.331 429 Q HA 0.787 5.128 4.340 0.003 0.000 0.267 429 Q C -0.356 175.753 176.000 0.182 0.000 1.006 429 Q CA 0.098 55.975 55.803 0.124 0.000 0.818 429 Q CB 1.836 30.611 28.738 0.061 0.000 1.276 429 Q HN 1.410 nan 8.270 nan 0.000 0.450 430 G N 1.951 110.892 108.800 0.235 0.000 2.645 430 G HA2 0.327 4.289 3.960 0.003 0.000 0.292 430 G HA3 0.327 4.289 3.960 0.003 0.000 0.292 430 G C -1.666 173.401 174.900 0.279 0.000 1.415 430 G CA -0.959 44.312 45.100 0.285 0.000 0.785 430 G HN 0.643 nan 8.290 nan 0.000 0.483 431 F N 1.203 121.228 119.950 0.124 0.000 2.604 431 F HA 0.145 4.674 4.527 0.003 0.000 0.390 431 F C 0.652 176.545 175.800 0.155 0.000 1.053 431 F CA 0.019 58.076 58.000 0.095 0.000 1.256 431 F CB 0.699 39.732 39.000 0.056 0.000 0.996 431 F HN 0.345 nan 8.300 nan 0.000 0.564 432 D N 5.599 125.777 120.400 -0.369 0.000 2.342 432 D HA 0.082 4.723 4.640 0.003 0.000 0.260 432 D C 0.892 177.245 176.300 0.088 0.000 1.278 432 D CA 0.033 53.951 54.000 -0.136 0.000 0.910 432 D CB 0.690 41.337 40.800 -0.254 0.000 1.079 432 D HN 0.401 nan 8.370 nan 0.000 0.496 433 V N 2.271 122.409 119.914 0.372 0.000 3.623 433 V HA 0.358 4.480 4.120 0.003 0.000 0.271 433 V C 1.405 177.628 176.094 0.215 0.000 1.248 433 V CA 0.542 63.065 62.300 0.373 0.000 1.156 433 V CB -0.972 30.991 31.823 0.233 0.000 0.870 433 V HN 0.723 nan 8.190 nan 0.000 0.453 434 G N 1.296 110.190 108.800 0.156 0.000 2.574 434 G HA2 -0.392 3.570 3.960 0.003 0.000 0.286 434 G HA3 -0.392 3.570 3.960 0.003 0.000 0.286 434 G C -0.200 174.783 174.900 0.137 0.000 1.212 434 G CA 0.583 45.755 45.100 0.121 0.000 0.979 434 G HN 0.843 nan 8.290 nan 0.000 0.557 435 D N 0.808 121.287 120.400 0.131 0.000 2.417 435 D HA 0.401 5.043 4.640 0.003 0.000 0.250 435 D C 0.954 177.286 176.300 0.054 0.000 1.166 435 D CA -0.083 54.020 54.000 0.173 0.000 0.881 435 D CB 0.107 41.006 40.800 0.166 0.000 1.164 435 D HN 0.501 nan 8.370 nan 0.000 0.467 436 I N 3.572 124.035 120.570 -0.178 0.000 2.474 436 I HA 0.045 4.217 4.170 0.003 0.000 0.287 436 I C 1.350 177.388 176.117 -0.132 0.000 1.048 436 I CA 0.124 61.213 61.300 -0.351 0.000 1.383 436 I CB 1.164 38.648 38.000 -0.860 0.000 1.412 436 I HN 0.527 nan 8.210 nan 0.000 0.531 437 Q N 5.296 125.086 119.800 -0.017 0.000 2.422 437 Q HA 0.288 4.629 4.340 0.003 0.000 0.255 437 Q C -0.801 175.298 176.000 0.165 0.000 0.864 437 Q CA 0.157 55.995 55.803 0.057 0.000 0.968 437 Q CB 1.053 29.803 28.738 0.020 0.000 1.130 437 Q HN 0.627 nan 8.270 nan 0.000 0.556 438 L N -1.833 119.495 121.223 0.176 0.000 2.671 438 L HA 0.659 5.001 4.340 0.003 0.000 0.259 438 L C -1.136 175.759 176.870 0.041 0.000 1.021 438 L CA -1.316 53.698 54.840 0.289 0.000 0.871 438 L CB 1.283 43.558 42.059 0.361 0.000 1.472 438 L HN 0.036 nan 8.230 nan 0.000 0.410 439 I N -2.314 118.197 120.570 -0.098 0.000 2.934 439 I HA 0.815 4.987 4.170 0.003 0.000 0.306 439 I C -1.236 174.746 176.117 -0.225 0.000 1.110 439 I CA -0.600 60.521 61.300 -0.298 0.000 1.019 439 I CB 2.545 40.178 38.000 -0.613 0.000 1.227 439 I HN 0.770 nan 8.210 nan 0.000 0.434 440 E N 4.053 124.135 120.200 -0.197 0.000 2.224 440 E HA 0.574 4.925 4.350 0.003 0.000 0.265 440 E C -1.472 175.135 176.600 0.013 0.000 0.878 440 E CA -0.630 55.724 56.400 -0.077 0.000 0.759 440 E CB 2.876 32.566 29.700 -0.016 0.000 1.164 440 E HN 0.472 nan 8.360 nan 0.000 0.414 441 L N 2.764 124.001 121.223 0.024 0.000 2.307 441 L HA 0.465 4.807 4.340 0.003 0.000 0.282 441 L C -0.418 176.565 176.870 0.188 0.000 1.051 441 L CA -0.715 54.183 54.840 0.097 0.000 0.804 441 L CB 0.836 42.897 42.059 0.004 0.000 1.197 441 L HN 0.549 nan 8.230 nan 0.000 0.431 442 H N 1.569 120.698 119.070 0.097 0.000 2.529 442 H HA 0.453 5.011 4.556 0.003 0.000 0.348 442 H C -0.970 174.343 175.328 -0.025 0.000 1.079 442 H CA -0.303 55.727 56.048 -0.031 0.000 1.198 442 H CB 1.964 31.546 29.762 -0.299 0.000 1.521 442 H HN 0.499 nan 8.280 nan 0.000 0.514 443 S N 2.345 117.686 115.700 -0.598 0.000 2.472 443 S HA 0.127 4.598 4.470 0.003 0.000 0.303 443 S C 0.343 174.567 174.600 -0.626 0.000 1.099 443 S CA -0.627 57.318 58.200 -0.425 0.000 1.077 443 S CB 0.709 63.795 63.200 -0.190 0.000 1.031 443 S HN 0.845 nan 8.310 nan 0.000 0.487 444 D N 3.015 123.236 120.400 -0.298 0.000 2.336 444 D HA 0.123 4.765 4.640 0.003 0.000 0.229 444 D C 1.296 177.527 176.300 -0.115 0.000 1.061 444 D CA 0.700 54.612 54.000 -0.147 0.000 0.875 444 D CB -0.732 40.050 40.800 -0.030 0.000 0.904 444 D HN 1.002 nan 8.370 nan 0.000 0.525 445 G N -0.477 108.239 108.800 -0.139 0.000 2.166 445 G HA2 -0.035 3.927 3.960 0.003 0.000 0.260 445 G HA3 -0.035 3.927 3.960 0.003 0.000 0.260 445 G C 0.825 175.688 174.900 -0.062 0.000 0.986 445 G CA 0.487 45.533 45.100 -0.089 0.000 0.683 445 G HN 1.413 nan 8.290 nan 0.000 0.527 446 G N -2.124 106.644 108.800 -0.053 0.000 2.746 446 G HA2 0.475 4.436 3.960 0.003 0.000 0.685 446 G HA3 0.475 4.436 3.960 0.003 0.000 0.685 446 G C 0.737 175.625 174.900 -0.018 0.000 1.350 446 G CA 0.475 45.559 45.100 -0.026 0.000 0.837 446 G HN 1.983 nan 8.290 nan 0.000 0.564 447 G N -1.392 107.416 108.800 0.014 0.000 2.606 447 G HA2 0.577 4.539 3.960 0.003 0.000 0.262 447 G HA3 0.577 4.539 3.960 0.003 0.000 0.262 447 G C 0.864 175.747 174.900 -0.028 0.000 1.394 447 G CA 0.576 45.690 45.100 0.022 0.000 1.044 447 G HN 1.269 nan 8.290 nan 0.000 0.553 448 Y N -0.716 119.473 120.300 -0.185 0.000 2.151 448 Y HA -0.188 4.364 4.550 0.003 0.000 0.284 448 Y C 2.234 177.873 175.900 -0.435 0.000 1.166 448 Y CA 2.030 59.883 58.100 -0.410 0.000 1.163 448 Y CB -0.043 38.014 38.460 -0.672 0.000 0.974 448 Y HN 0.494 nan 8.280 nan 0.000 0.511 449 W N -0.151 121.234 121.300 0.141 0.000 3.197 449 W HA 0.201 4.862 4.660 0.002 0.000 0.274 449 W C 0.718 177.241 176.519 0.005 0.000 1.297 449 W CA 0.146 57.541 57.345 0.084 0.000 1.662 449 W CB -0.207 29.332 29.460 0.131 0.000 1.106 449 W HN -0.285 nan 8.180 nan 0.000 0.663 450 S N 1.190 116.973 115.700 0.138 0.000 2.509 450 S HA 0.130 4.601 4.470 0.003 0.000 0.287 450 S C 1.387 176.011 174.600 0.040 0.000 1.248 450 S CA 0.369 58.618 58.200 0.082 0.000 1.089 450 S CB 1.013 64.234 63.200 0.034 0.000 0.900 450 S HN 0.396 nan 8.310 nan 0.000 0.496 451 G N 1.747 110.587 108.800 0.067 0.000 2.408 451 G HA2 -0.020 3.941 3.960 0.003 0.000 0.215 451 G HA3 -0.020 3.941 3.960 0.003 0.000 0.215 451 G C 0.216 175.110 174.900 -0.010 0.000 1.156 451 G CA 0.336 45.459 45.100 0.038 0.000 0.793 451 G HN 0.697 nan 8.290 nan 0.000 0.535 452 D N -1.162 119.251 120.400 0.021 0.000 2.823 452 D HA 0.237 4.878 4.640 0.003 0.000 0.255 452 D C -1.519 174.823 176.300 0.070 0.000 1.257 452 D CA -0.970 53.029 54.000 -0.001 0.000 0.803 452 D CB 1.150 41.910 40.800 -0.066 0.000 1.384 452 D HN -0.014 nan 8.370 nan 0.000 0.541 453 P HA -0.065 nan 4.420 nan 0.000 0.222 453 P C -0.194 177.182 177.300 0.126 0.000 1.147 453 P CA 0.463 63.593 63.100 0.050 0.000 0.790 453 P CB 0.227 31.926 31.700 -0.002 0.000 0.780 454 D N 0.075 120.567 120.400 0.155 0.000 2.472 454 D HA 0.033 4.675 4.640 0.003 0.000 0.237 454 D C -0.408 176.248 176.300 0.594 0.000 1.141 454 D CA 0.573 54.752 54.000 0.299 0.000 0.875 454 D CB 0.126 41.017 40.800 0.151 0.000 1.192 454 D HN 0.106 nan 8.370 nan 0.000 0.450 455 W N 4.325 125.855 121.300 0.384 0.000 2.715 455 W HA 0.375 5.036 4.660 0.002 0.000 0.331 455 W C -1.916 174.610 176.519 0.011 0.000 1.031 455 W CA -1.544 55.913 57.345 0.187 0.000 1.237 455 W CB 0.434 29.872 29.460 -0.037 0.000 1.378 455 W HN 0.188 nan 8.180 nan 0.000 0.454 456 F N 7.137 126.845 119.950 -0.403 0.000 2.371 456 F HA 0.563 5.092 4.527 0.003 0.000 0.363 456 F C -0.653 174.650 175.800 -0.828 0.000 1.122 456 F CA -0.534 56.877 58.000 -0.981 0.000 1.129 456 F CB 0.701 38.751 39.000 -1.584 0.000 1.173 456 F HN -0.024 nan 8.300 nan 0.000 0.489 457 V N 7.745 126.890 119.914 -1.281 0.000 2.394 457 V HA 0.158 4.279 4.120 0.003 0.000 0.282 457 V C 0.700 176.175 176.094 -1.033 0.000 1.031 457 V CA -0.396 61.232 62.300 -1.120 0.000 0.881 457 V CB 1.286 32.360 31.823 -1.248 0.000 0.982 457 V HN 0.881 nan 8.190 nan 0.000 0.451 458 N N 3.275 121.500 118.700 -0.791 0.000 2.092 458 N HA 0.026 4.768 4.740 0.003 0.000 0.189 458 N C 0.857 175.743 175.510 -1.040 0.000 1.040 458 N CA 0.769 53.112 53.050 -1.179 0.000 0.845 458 N CB 0.261 38.298 38.487 -0.751 0.000 1.017 458 N HN 0.580 nan 8.380 nan 0.000 0.426 459 R N 0.058 120.242 120.500 -0.527 0.000 2.664 459 R HA 0.378 4.720 4.340 0.003 0.000 0.266 459 R C -2.192 174.032 176.300 -0.125 0.000 1.046 459 R CA -0.422 55.531 56.100 -0.245 0.000 0.885 459 R CB 1.458 31.703 30.300 -0.091 0.000 1.254 459 R HN -0.196 nan 8.270 nan 0.000 0.465 460 V N 4.336 124.255 119.914 0.008 0.000 2.604 460 V HA 0.578 4.699 4.120 0.003 0.000 0.305 460 V C -0.361 175.907 176.094 0.289 0.000 1.043 460 V CA -0.681 61.665 62.300 0.077 0.000 0.888 460 V CB 1.865 33.643 31.823 -0.075 0.000 0.995 460 V HN 0.588 nan 8.190 nan 0.000 0.429 461 I N 5.146 125.867 120.570 0.252 0.000 2.436 461 I HA 0.557 4.729 4.170 0.003 0.000 0.289 461 I C -0.720 175.584 176.117 0.311 0.000 1.010 461 I CA -0.231 61.250 61.300 0.301 0.000 1.098 461 I CB 1.842 39.961 38.000 0.198 0.000 1.266 461 I HN 0.395 nan 8.210 nan 0.000 0.434 462 I N 6.587 127.406 120.570 0.415 0.000 2.608 462 I HA 0.514 4.685 4.170 0.003 0.000 0.295 462 I C -0.770 175.602 176.117 0.426 0.000 1.049 462 I CA -0.712 60.816 61.300 0.380 0.000 1.063 462 I CB 2.514 40.737 38.000 0.371 0.000 1.248 462 I HN 0.368 nan 8.210 nan 0.000 0.424 463 I N 3.691 124.468 120.570 0.344 0.000 2.436 463 I HA 0.250 4.422 4.170 0.003 0.000 0.289 463 I C -0.033 176.273 176.117 0.314 0.000 1.010 463 I CA -0.320 61.168 61.300 0.313 0.000 1.098 463 I CB 2.061 40.173 38.000 0.186 0.000 1.266 463 I HN 0.495 nan 8.210 nan 0.000 0.434 464 S N 3.053 118.959 115.700 0.343 0.000 2.541 464 S HA 0.230 4.701 4.470 0.003 0.000 0.283 464 S C 1.170 175.806 174.600 0.060 0.000 1.196 464 S CA -0.373 57.942 58.200 0.192 0.000 1.062 464 S CB 1.363 64.733 63.200 0.283 0.000 1.009 464 S HN 0.724 nan 8.310 nan 0.000 0.502 465 S N 2.528 118.180 115.700 -0.080 0.000 2.447 465 S HA -0.099 4.372 4.470 0.003 0.000 0.233 465 S C 1.587 176.167 174.600 -0.033 0.000 1.006 465 S CA 1.259 59.426 58.200 -0.055 0.000 0.957 465 S CB -0.951 62.188 63.200 -0.102 0.000 0.773 465 S HN 0.941 nan 8.310 nan 0.000 0.507 466 T N -1.519 113.014 114.554 -0.035 0.000 3.107 466 T HA 0.236 4.587 4.350 0.003 0.000 0.249 466 T C 0.339 175.069 174.700 0.051 0.000 1.096 466 T CA -0.330 61.767 62.100 -0.005 0.000 1.012 466 T CB -0.078 68.773 68.868 -0.027 0.000 0.977 466 T HN 0.266 nan 8.240 nan 0.000 0.527 467 Q N 0.832 120.690 119.800 0.098 0.000 2.372 467 Q HA 0.339 4.680 4.340 0.003 0.000 0.273 467 Q C -1.438 174.613 176.000 0.085 0.000 1.078 467 Q CA -0.491 55.391 55.803 0.133 0.000 0.806 467 Q CB 2.114 31.024 28.738 0.288 0.000 1.332 467 Q HN 0.207 nan 8.270 nan 0.000 0.435 468 D N 2.358 122.779 120.400 0.035 0.000 2.943 468 D HA 0.170 4.811 4.640 0.003 0.000 0.249 468 D C -0.600 175.660 176.300 -0.067 0.000 1.231 468 D CA 0.055 54.052 54.000 -0.006 0.000 0.979 468 D CB 0.274 41.069 40.800 -0.007 0.000 1.053 468 D HN 0.220 nan 8.370 nan 0.000 0.504 469 R N 0.071 120.498 120.500 -0.121 0.000 2.740 469 R HA 0.429 4.771 4.340 0.003 0.000 0.273 469 R C -1.000 175.129 176.300 -0.285 0.000 0.998 469 R CA -0.920 54.986 56.100 -0.324 0.000 0.900 469 R CB 2.274 32.130 30.300 -0.739 0.000 1.223 469 R HN -0.115 nan 8.270 nan 0.000 0.466 470 V N 3.012 122.764 119.914 -0.270 0.000 2.347 470 V HA 0.342 4.464 4.120 0.003 0.000 0.280 470 V C -0.940 175.020 176.094 -0.224 0.000 1.021 470 V CA -0.734 61.486 62.300 -0.133 0.000 0.847 470 V CB 0.765 32.567 31.823 -0.035 0.000 0.990 470 V HN 0.527 nan 8.190 nan 0.000 0.444 471 Y N 2.631 122.950 120.300 0.032 0.000 2.350 471 Y HA 0.487 5.038 4.550 0.003 0.000 0.340 471 Y C 0.781 176.595 175.900 -0.144 0.000 1.006 471 Y CA 0.041 58.081 58.100 -0.100 0.000 1.166 471 Y CB 1.667 40.124 38.460 -0.005 0.000 1.168 471 Y HN 0.562 nan 8.280 nan 0.000 0.502 472 S N 4.429 120.020 115.700 -0.181 0.000 2.478 472 S HA 0.648 5.120 4.470 0.003 0.000 0.312 472 S C -1.328 173.092 174.600 -0.299 0.000 1.094 472 S CA -0.600 57.550 58.200 -0.083 0.000 1.081 472 S CB 0.049 63.243 63.200 -0.010 0.000 1.007 472 S HN 0.431 nan 8.310 nan 0.000 0.475 473 F N 6.099 126.088 119.950 0.065 0.000 2.359 473 F HA 0.411 4.940 4.527 0.003 0.000 0.369 473 F C -2.118 173.669 175.800 -0.023 0.000 1.084 473 F CA -2.140 55.872 58.000 0.020 0.000 1.096 473 F CB 1.489 40.475 39.000 -0.023 0.000 1.335 473 F HN 0.338 nan 8.300 nan 0.000 0.457 474 P HA 0.151 nan 4.420 nan 0.000 0.275 474 P C -0.080 177.254 177.300 0.056 0.000 1.228 474 P CA -0.105 63.088 63.100 0.155 0.000 0.786 474 P CB 2.410 34.244 31.700 0.224 0.000 0.927 475 C N 2.138 121.404 119.300 -0.057 0.000 3.066 475 C HA 0.340 4.801 4.460 0.003 0.000 0.277 475 C C 0.351 175.292 174.990 -0.081 0.000 2.279 475 C CA 0.097 59.005 59.018 -0.184 0.000 1.720 475 C CB -1.307 26.182 27.740 -0.418 0.000 1.478 475 C HN 0.532 nan 8.230 nan 0.000 0.723 476 F N 1.941 121.658 119.950 -0.389 0.000 3.071 476 F HA -0.116 4.413 4.527 0.003 0.000 0.295 476 F C 0.306 175.831 175.800 -0.457 0.000 0.919 476 F CA 1.075 58.871 58.000 -0.340 0.000 1.050 476 F CB -1.483 37.513 39.000 -0.007 0.000 1.040 476 F HN 0.472 nan 8.300 nan 0.000 0.692 477 R N -2.050 117.953 120.500 -0.830 0.000 2.799 477 R HA 0.493 4.835 4.340 0.003 0.000 0.270 477 R C -1.088 174.700 176.300 -0.855 0.000 1.010 477 R CA -1.147 54.645 56.100 -0.514 0.000 0.916 477 R CB 1.043 31.333 30.300 -0.018 0.000 1.228 477 R HN 0.089 nan 8.270 nan 0.000 0.469 478 W N 1.036 122.225 121.300 -0.184 0.000 2.253 478 W HA 0.241 4.902 4.660 0.003 0.000 0.322 478 W C -0.034 176.406 176.519 -0.133 0.000 1.342 478 W CA -0.261 57.034 57.345 -0.083 0.000 1.218 478 W CB 0.649 30.168 29.460 0.099 0.000 1.205 478 W HN 0.055 nan 8.180 nan 0.000 0.551 479 V N 6.620 126.576 119.914 0.069 0.000 2.385 479 V HA 0.054 4.176 4.120 0.003 0.000 0.269 479 V C 0.813 177.003 176.094 0.159 0.000 1.043 479 V CA -0.356 61.973 62.300 0.047 0.000 0.906 479 V CB 0.545 32.349 31.823 -0.031 0.000 0.995 479 V HN 0.533 nan 8.190 nan 0.000 0.467 480 I N 4.508 125.129 120.570 0.083 0.000 3.025 480 I HA 0.183 4.355 4.170 0.003 0.000 0.236 480 I C 2.098 178.204 176.117 -0.018 0.000 1.063 480 I CA 1.516 62.843 61.300 0.045 0.000 1.476 480 I CB -1.141 36.861 38.000 0.003 0.000 1.331 480 I HN 0.641 nan 8.210 nan 0.000 0.457 481 K N -0.159 120.210 120.400 -0.051 0.000 2.362 481 K HA 0.206 4.527 4.320 0.003 0.000 0.203 481 K C 0.416 176.947 176.600 -0.115 0.000 1.198 481 K CA 0.499 56.703 56.287 -0.138 0.000 0.908 481 K CB 0.086 32.540 32.500 -0.077 0.000 1.236 481 K HN 0.337 nan 8.250 nan 0.000 0.487 482 D N -0.643 119.753 120.400 -0.007 0.000 2.738 482 D HA 0.545 5.187 4.640 0.003 0.000 0.237 482 D C -1.420 174.883 176.300 0.005 0.000 1.123 482 D CA -0.503 53.526 54.000 0.050 0.000 0.856 482 D CB 1.909 42.769 40.800 0.100 0.000 1.552 482 D HN 0.193 nan 8.370 nan 0.000 0.480 483 M N 1.956 121.548 119.600 -0.014 0.000 2.238 483 M HA 0.262 4.744 4.480 0.003 0.000 0.278 483 M C -2.197 174.035 176.300 -0.114 0.000 1.040 483 M CA -0.585 54.665 55.300 -0.085 0.000 0.969 483 M CB 1.837 34.352 32.600 -0.140 0.000 1.694 483 M HN 0.063 nan 8.290 nan 0.000 0.472 484 V N 6.210 126.028 119.914 -0.160 0.000 2.439 484 V HA 0.613 4.735 4.120 0.003 0.000 0.282 484 V C -0.300 175.564 176.094 -0.383 0.000 1.039 484 V CA -0.496 61.669 62.300 -0.224 0.000 0.913 484 V CB 1.250 32.950 31.823 -0.203 0.000 0.983 484 V HN 0.845 nan 8.190 nan 0.000 0.460 485 L N 4.465 125.479 121.223 -0.347 0.000 2.354 485 L HA 0.682 5.023 4.340 0.003 0.000 0.264 485 L C -0.986 175.854 176.870 -0.051 0.000 1.008 485 L CA -0.428 54.226 54.840 -0.310 0.000 0.819 485 L CB 2.297 44.280 42.059 -0.125 0.000 1.339 485 L HN 0.458 nan 8.230 nan 0.000 0.420 486 F N 1.328 121.423 119.950 0.243 0.000 2.522 486 F HA 0.543 5.072 4.527 0.003 0.000 0.324 486 F C -2.145 173.703 175.800 0.080 0.000 1.077 486 F CA -2.271 55.850 58.000 0.201 0.000 0.944 486 F CB 2.145 41.168 39.000 0.039 0.000 1.175 486 F HN 0.187 nan 8.300 nan 0.000 0.468 487 P HA 0.440 nan 4.420 nan 0.000 0.284 487 P C 0.088 177.288 177.300 -0.167 0.000 1.258 487 P CA 0.145 62.917 63.100 -0.547 0.000 0.824 487 P CB 1.793 33.135 31.700 -0.598 0.000 1.038 488 G N 2.107 110.809 108.800 -0.164 0.000 2.508 488 G HA2 -0.160 3.801 3.960 0.003 0.000 0.220 488 G HA3 -0.160 3.801 3.960 0.003 0.000 0.220 488 G C -0.839 174.066 174.900 0.008 0.000 1.287 488 G CA -0.453 44.611 45.100 -0.059 0.000 0.916 488 G HN 0.540 nan 8.290 nan 0.000 0.574 489 E N 0.558 120.782 120.200 0.040 0.000 2.374 489 E HA 0.588 4.940 4.350 0.003 0.000 0.260 489 E C 1.033 177.685 176.600 0.088 0.000 1.101 489 E CA 0.416 56.885 56.400 0.114 0.000 0.907 489 E CB 0.903 30.692 29.700 0.149 0.000 1.014 489 E HN 1.239 nan 8.360 nan 0.000 0.427 490 A N 1.752 124.629 122.820 0.093 0.000 2.555 490 A HA 0.333 4.654 4.320 0.003 0.000 0.233 490 A C 0.159 177.686 177.584 -0.094 0.000 1.060 490 A CA 0.431 52.401 52.037 -0.112 0.000 0.759 490 A CB -0.259 18.487 19.000 -0.424 0.000 0.995 490 A HN 0.599 nan 8.150 nan 0.000 0.506 491 T N 0.033 114.441 114.554 -0.245 0.000 2.903 491 T HA 0.623 4.975 4.350 0.003 0.000 0.299 491 T C -0.315 174.081 174.700 -0.508 0.000 1.093 491 T CA -0.846 61.087 62.100 -0.279 0.000 1.002 491 T CB 0.740 69.475 68.868 -0.222 0.000 1.127 491 T HN 0.507 nan 8.240 nan 0.000 0.488 492 L N 2.587 123.433 121.223 -0.628 0.000 2.436 492 L HA 0.304 4.645 4.340 0.003 0.000 0.265 492 L C -1.102 175.388 176.870 -0.633 0.000 1.168 492 L CA -2.270 52.087 54.840 -0.805 0.000 0.815 492 L CB 0.673 42.055 42.059 -1.129 0.000 1.109 492 L HN 0.500 nan 8.230 nan 0.000 0.462 493 P HA -0.176 nan 4.420 nan 0.000 0.220 493 P C 1.051 178.276 177.300 -0.125 0.000 1.148 493 P CA 1.389 64.389 63.100 -0.168 0.000 0.803 493 P CB -0.009 31.700 31.700 0.015 0.000 0.782 494 F N -1.307 118.624 119.950 -0.031 0.000 2.789 494 F HA 0.257 4.785 4.527 0.003 0.000 0.300 494 F C 0.361 176.136 175.800 -0.043 0.000 1.132 494 F CA -1.312 56.672 58.000 -0.026 0.000 1.404 494 F CB -1.952 37.045 39.000 -0.004 0.000 1.114 494 F HN -0.256 nan 8.300 nan 0.000 0.584 495 N N 2.548 121.051 118.700 -0.328 0.000 2.458 495 N HA -0.046 4.695 4.740 0.003 0.000 0.258 495 N C -0.140 175.324 175.510 -0.077 0.000 1.219 495 N CA -0.146 52.801 53.050 -0.171 0.000 0.902 495 N CB 0.454 38.782 38.487 -0.264 0.000 1.076 495 N HN 0.377 nan 8.380 nan 0.000 0.455 496 E N 2.166 122.351 120.200 -0.025 0.000 2.366 496 E HA 0.156 4.508 4.350 0.003 0.000 0.266 496 E C -1.145 175.420 176.600 -0.059 0.000 1.015 496 E CA -0.138 56.248 56.400 -0.024 0.000 0.906 496 E CB 0.549 30.247 29.700 -0.003 0.000 0.979 496 E HN 0.141 nan 8.360 nan 0.000 0.443 497 V N 5.160 125.030 119.914 -0.073 0.000 3.188 497 V HA 0.356 4.477 4.120 0.003 0.000 0.305 497 V C -2.319 173.720 176.094 -0.092 0.000 1.232 497 V CA -1.700 60.535 62.300 -0.109 0.000 1.043 497 V CB 2.295 34.013 31.823 -0.174 0.000 1.068 497 V HN 0.797 nan 8.190 nan 0.000 0.439 498 P HA 0.276 nan 4.420 nan 0.000 0.270 498 P C 0.480 177.732 177.300 -0.081 0.000 1.223 498 P CA 0.180 63.239 63.100 -0.069 0.000 0.785 498 P CB 0.655 32.320 31.700 -0.058 0.000 0.923 499 A N 2.226 125.015 122.820 -0.051 0.000 1.908 499 A HA -0.196 4.126 4.320 0.003 0.000 0.218 499 A C 2.018 179.573 177.584 -0.049 0.000 1.181 499 A CA 1.406 53.418 52.037 -0.043 0.000 0.627 499 A CB -1.328 17.658 19.000 -0.023 0.000 0.818 499 A HN 0.670 nan 8.150 nan 0.000 0.445 500 I N -0.050 120.493 120.570 -0.046 0.000 2.361 500 I HA -0.181 3.990 4.170 0.003 0.000 0.251 500 I C 2.117 178.205 176.117 -0.047 0.000 1.133 500 I CA 1.290 62.572 61.300 -0.030 0.000 1.413 500 I CB -0.086 37.904 38.000 -0.017 0.000 1.073 500 I HN 0.210 nan 8.210 nan 0.000 0.424 501 V N 0.180 120.004 119.914 -0.149 0.000 2.307 501 V HA -0.239 3.883 4.120 0.003 0.000 0.245 501 V C 2.521 178.442 176.094 -0.290 0.000 1.045 501 V CA 1.995 64.061 62.300 -0.390 0.000 1.024 501 V CB -0.739 30.715 31.823 -0.615 0.000 0.651 501 V HN 0.363 nan 8.190 nan 0.000 0.449 502 S N -0.367 115.224 115.700 -0.181 0.000 2.370 502 S HA -0.250 4.222 4.470 0.003 0.000 0.226 502 S C 1.944 176.530 174.600 -0.024 0.000 1.033 502 S CA 1.785 59.928 58.200 -0.094 0.000 1.011 502 S CB -0.312 62.851 63.200 -0.062 0.000 0.852 502 S HN 0.690 nan 8.310 nan 0.000 0.457 503 E N 0.629 120.822 120.200 -0.011 0.000 2.077 503 E HA -0.153 4.199 4.350 0.003 0.000 0.193 503 E C 2.388 179.025 176.600 0.062 0.000 0.989 503 E CA 0.927 57.341 56.400 0.023 0.000 0.800 503 E CB -0.064 29.647 29.700 0.018 0.000 0.746 503 E HN 0.317 nan 8.360 nan 0.000 0.452 504 Q N 0.221 120.083 119.800 0.105 0.000 2.123 504 Q HA -0.108 4.233 4.340 0.003 0.000 0.199 504 Q C 2.082 178.217 176.000 0.226 0.000 0.966 504 Q CA 0.936 56.851 55.803 0.186 0.000 0.845 504 Q CB -0.203 28.728 28.738 0.321 0.000 0.907 504 Q HN 0.205 nan 8.270 nan 0.000 0.439 505 R N 0.283 120.934 120.500 0.251 0.000 2.083 505 R HA -0.171 4.170 4.340 0.003 0.000 0.237 505 R C 2.359 178.720 176.300 0.102 0.000 1.137 505 R CA 1.682 57.903 56.100 0.201 0.000 0.951 505 R CB 0.114 30.484 30.300 0.116 0.000 0.851 505 R HN 0.101 nan 8.270 nan 0.000 0.434 506 Q N -0.383 119.462 119.800 0.075 0.000 2.084 506 Q HA -0.159 4.183 4.340 0.003 0.000 0.202 506 Q C 2.624 178.661 176.000 0.062 0.000 0.978 506 Q CA 2.188 58.028 55.803 0.062 0.000 0.844 506 Q CB -0.650 28.118 28.738 0.050 0.000 0.898 506 Q HN 0.747 nan 8.270 nan 0.000 0.426 507 K N 1.217 121.655 120.400 0.063 0.000 2.057 507 K HA -0.188 4.134 4.320 0.003 0.000 0.207 507 K C 1.847 178.479 176.600 0.054 0.000 1.049 507 K CA 1.822 58.142 56.287 0.055 0.000 0.931 507 K CB -0.830 31.701 32.500 0.051 0.000 0.714 507 K HN 0.679 nan 8.250 nan 0.000 0.440 508 E N 0.166 120.399 120.200 0.055 0.000 2.058 508 E HA -0.170 4.182 4.350 0.003 0.000 0.194 508 E C 2.118 178.751 176.600 0.056 0.000 0.997 508 E CA 1.364 57.786 56.400 0.038 0.000 0.801 508 E CB -0.192 29.512 29.700 0.005 0.000 0.746 508 E HN 0.540 nan 8.360 nan 0.000 0.450 509 L N 0.565 121.823 121.223 0.058 0.000 2.083 509 L HA -0.179 4.163 4.340 0.003 0.000 0.209 509 L C 2.489 179.411 176.870 0.087 0.000 1.083 509 L CA 1.347 56.230 54.840 0.073 0.000 0.752 509 L CB -0.356 41.745 42.059 0.070 0.000 0.899 509 L HN 0.196 nan 8.230 nan 0.000 0.433 510 E N -0.395 119.849 120.200 0.074 0.000 2.070 510 E HA -0.317 4.034 4.350 0.003 0.000 0.197 510 E C 2.163 178.805 176.600 0.071 0.000 1.004 510 E CA 1.476 57.917 56.400 0.070 0.000 0.805 510 E CB -0.070 29.664 29.700 0.056 0.000 0.744 510 E HN 0.288 nan 8.360 nan 0.000 0.451 511 Q N 0.696 120.536 119.800 0.067 0.000 2.119 511 Q HA -0.106 4.236 4.340 0.003 0.000 0.201 511 Q C 1.880 177.939 176.000 0.098 0.000 0.972 511 Q CA 1.318 57.158 55.803 0.061 0.000 0.847 511 Q CB 0.083 28.849 28.738 0.047 0.000 0.903 511 Q HN 0.047 nan 8.270 nan 0.000 0.433 512 R N 0.259 120.854 120.500 0.157 0.000 2.105 512 R HA -0.084 4.258 4.340 0.003 0.000 0.239 512 R C 1.904 178.359 176.300 0.258 0.000 1.135 512 R CA 1.361 57.641 56.100 0.298 0.000 0.967 512 R CB -0.220 30.244 30.300 0.275 0.000 0.861 512 R HN 0.335 nan 8.270 nan 0.000 0.442 513 K N 0.317 120.811 120.400 0.156 0.000 2.366 513 K HA 0.043 4.365 4.320 0.003 0.000 0.198 513 K C 2.041 178.689 176.600 0.079 0.000 1.044 513 K CA 0.484 56.845 56.287 0.123 0.000 0.973 513 K CB 0.101 32.672 32.500 0.118 0.000 0.767 513 K HN 0.120 nan 8.250 nan 0.000 0.475 514 L N -0.093 121.162 121.223 0.054 0.000 2.202 514 L HA -0.061 4.281 4.340 0.003 0.000 0.205 514 L C 2.101 178.938 176.870 -0.055 0.000 1.083 514 L CA 0.945 55.789 54.840 0.006 0.000 0.790 514 L CB -0.141 41.917 42.059 -0.002 0.000 0.942 514 L HN 0.074 nan 8.230 nan 0.000 0.452 515 T N -1.683 112.820 114.554 -0.085 0.000 2.896 515 T HA -0.063 4.288 4.350 0.003 0.000 0.263 515 T C -0.099 174.319 174.700 -0.470 0.000 1.050 515 T CA 0.947 62.860 62.100 -0.313 0.000 1.140 515 T CB -0.109 68.517 68.868 -0.404 0.000 0.877 515 T HN 0.035 nan 8.240 nan 0.000 0.457 516 Y N 1.982 122.230 120.300 -0.086 0.000 2.402 516 Y HA 0.480 5.032 4.550 0.002 0.000 0.332 516 Y C 0.273 176.062 175.900 -0.186 0.000 0.960 516 Y CA -0.967 57.051 58.100 -0.137 0.000 1.228 516 Y CB 0.735 39.149 38.460 -0.078 0.000 1.120 516 Y HN 0.040 nan 8.280 nan 0.000 0.491 517 Q N 2.067 121.807 119.800 -0.099 0.000 2.377 517 Q HA 0.312 4.654 4.340 0.003 0.000 0.271 517 Q C -1.253 174.643 176.000 -0.174 0.000 1.077 517 Q CA -1.100 54.637 55.803 -0.110 0.000 0.820 517 Q CB 2.418 31.139 28.738 -0.028 0.000 1.347 517 Q HN 0.627 nan 8.270 nan 0.000 0.444 518 W N 1.169 122.441 121.300 -0.046 0.000 2.170 518 W HA 0.245 4.907 4.660 0.002 0.000 0.336 518 W C 0.250 176.583 176.519 -0.310 0.000 1.283 518 W CA 0.645 57.867 57.345 -0.206 0.000 1.224 518 W CB 0.696 30.075 29.460 -0.135 0.000 1.132 518 W HN 0.588 nan 8.180 nan 0.000 0.571 519 D N 0.228 120.458 120.400 -0.284 0.000 2.599 519 D HA 0.448 5.089 4.640 0.003 0.000 0.252 519 D C -1.988 173.931 176.300 -0.635 0.000 1.232 519 D CA -0.798 53.022 54.000 -0.300 0.000 0.819 519 D CB 1.198 41.937 40.800 -0.101 0.000 1.401 519 D HN 0.224 nan 8.370 nan 0.000 0.429 520 Y N 0.639 120.987 120.300 0.080 0.000 2.433 520 Y HA 0.286 4.838 4.550 0.002 0.000 0.337 520 Y C 0.843 176.757 175.900 0.025 0.000 1.026 520 Y CA -0.947 57.179 58.100 0.044 0.000 1.037 520 Y CB 2.182 40.652 38.460 0.015 0.000 1.245 520 Y HN 0.151 nan 8.280 nan 0.000 0.443 521 V N 1.147 121.144 119.914 0.137 0.000 2.515 521 V HA -0.114 4.007 4.120 0.003 0.000 0.250 521 V C 0.680 176.825 176.094 0.085 0.000 1.058 521 V CA 1.896 64.247 62.300 0.086 0.000 1.064 521 V CB -0.258 31.598 31.823 0.055 0.000 0.675 521 V HN 0.827 nan 8.190 nan 0.000 0.461 522 S N -2.642 113.122 115.700 0.106 0.000 2.656 522 S HA 0.196 4.668 4.470 0.003 0.000 0.265 522 S C -0.254 174.380 174.600 0.055 0.000 1.132 522 S CA -0.296 57.944 58.200 0.068 0.000 0.819 522 S CB 0.941 64.168 63.200 0.045 0.000 1.119 522 S HN 0.034 nan 8.310 nan 0.000 0.476 523 D N 0.725 121.134 120.400 0.015 0.000 2.309 523 D HA 0.063 4.705 4.640 0.003 0.000 0.212 523 D C 0.077 176.416 176.300 0.066 0.000 0.968 523 D CA 1.045 55.026 54.000 -0.032 0.000 0.882 523 D CB -0.180 40.596 40.800 -0.039 0.000 0.918 523 D HN 0.548 nan 8.370 nan 0.000 0.503 524 D N -0.439 120.060 120.400 0.166 0.000 2.501 524 D HA 0.096 4.738 4.640 0.003 0.000 0.226 524 D C 0.297 176.790 176.300 0.321 0.000 1.198 524 D CA -0.053 54.171 54.000 0.374 0.000 0.830 524 D CB 0.574 41.524 40.800 0.250 0.000 1.014 524 D HN 0.056 nan 8.370 nan 0.000 0.496 525 M N 1.200 120.856 119.600 0.093 0.000 2.530 525 M HA 0.358 4.840 4.480 0.003 0.000 0.307 525 M C -2.544 173.528 176.300 -0.379 0.000 1.161 525 M CA -2.475 52.676 55.300 -0.249 0.000 0.903 525 M CB 2.216 34.740 32.600 -0.126 0.000 1.711 525 M HN -0.321 nan 8.290 nan 0.000 0.451 526 P HA 0.084 nan 4.420 nan 0.000 0.267 526 P C 0.162 177.458 177.300 -0.007 0.000 1.200 526 P CA -0.042 62.767 63.100 -0.485 0.000 0.772 526 P CB 0.202 31.502 31.700 -0.666 0.000 0.855 527 G N 2.818 111.738 108.800 0.199 0.000 2.380 527 G HA2 0.130 4.091 3.960 0.003 0.000 0.242 527 G HA3 0.130 4.091 3.960 0.003 0.000 0.242 527 G C 0.203 175.263 174.900 0.266 0.000 1.298 527 G CA -0.516 44.681 45.100 0.162 0.000 0.878 527 G HN 0.766 nan 8.290 nan 0.000 0.542 528 N N 1.253 119.989 118.700 0.059 0.000 2.545 528 N HA 0.366 5.108 4.740 0.003 0.000 0.289 528 N C -0.632 174.846 175.510 -0.053 0.000 1.279 528 N CA -1.020 52.052 53.050 0.036 0.000 0.824 528 N CB 2.113 40.614 38.487 0.025 0.000 1.395 528 N HN 0.413 nan 8.380 nan 0.000 0.526 529 I N 0.109 120.638 120.570 -0.068 0.000 2.588 529 I HA 0.041 4.213 4.170 0.003 0.000 0.283 529 I C 0.572 176.629 176.117 -0.100 0.000 1.119 529 I CA -0.403 60.830 61.300 -0.112 0.000 1.419 529 I CB 0.516 38.469 38.000 -0.078 0.000 1.394 529 I HN 0.532 nan 8.210 nan 0.000 0.562 530 K N 7.032 127.365 120.400 -0.111 0.000 2.338 530 K HA 0.534 4.856 4.320 0.003 0.000 0.290 530 K C -1.170 175.363 176.600 -0.112 0.000 1.069 530 K CA -0.144 56.088 56.287 -0.092 0.000 0.941 530 K CB 0.362 32.818 32.500 -0.072 0.000 1.023 530 K HN 0.711 nan 8.250 nan 0.000 0.477 531 A N 3.248 126.006 122.820 -0.102 0.000 2.518 531 A HA 0.416 4.738 4.320 0.003 0.000 0.295 531 A C 0.094 177.618 177.584 -0.101 0.000 1.052 531 A CA -0.431 51.532 52.037 -0.122 0.000 0.824 531 A CB 1.038 19.945 19.000 -0.155 0.000 1.325 531 A HN 0.708 nan 8.150 nan 0.000 0.394 532 K N 0.669 121.013 120.400 -0.092 0.000 2.025 532 K HA 0.310 4.632 4.320 0.003 0.000 0.207 532 K C 1.095 177.645 176.600 -0.083 0.000 1.049 532 K CA 2.493 58.734 56.287 -0.076 0.000 0.933 532 K CB -0.562 31.901 32.500 -0.063 0.000 0.714 532 K HN 2.018 nan 8.250 nan 0.000 0.438 533 T N -5.134 109.366 114.554 -0.090 0.000 2.838 533 T HA 0.304 4.655 4.350 0.003 0.000 0.292 533 T C 0.714 175.362 174.700 -0.087 0.000 1.113 533 T CA -0.054 62.001 62.100 -0.075 0.000 1.008 533 T CB 1.222 70.061 68.868 -0.049 0.000 1.259 533 T HN 0.290 nan 8.240 nan 0.000 0.520 534 H N 0.431 119.403 119.070 -0.163 0.000 2.352 534 H HA -0.106 4.451 4.556 0.003 0.000 0.299 534 H C 0.722 175.951 175.328 -0.164 0.000 1.097 534 H CA 2.296 58.227 56.048 -0.195 0.000 1.311 534 H CB -0.155 29.479 29.762 -0.213 0.000 1.377 534 H HN 0.620 nan 8.280 nan 0.000 0.504 535 D N 0.407 120.771 120.400 -0.060 0.000 2.348 535 D HA -0.075 4.566 4.640 0.003 0.000 0.216 535 D C 1.409 177.602 176.300 -0.177 0.000 0.970 535 D CA 0.445 54.377 54.000 -0.114 0.000 0.889 535 D CB -0.267 40.517 40.800 -0.027 0.000 0.912 535 D HN 0.454 nan 8.370 nan 0.000 0.524 536 D N 0.022 120.317 120.400 -0.174 0.000 2.348 536 D HA -0.026 4.616 4.640 0.003 0.000 0.216 536 D C 0.820 176.972 176.300 -0.247 0.000 0.970 536 D CA 0.176 54.064 54.000 -0.186 0.000 0.889 536 D CB 0.329 41.039 40.800 -0.151 0.000 0.912 536 D HN 0.260 nan 8.370 nan 0.000 0.524 537 L N 1.702 122.734 121.223 -0.318 0.000 2.439 537 L HA 0.151 4.493 4.340 0.003 0.000 0.269 537 L C -1.962 174.693 176.870 -0.359 0.000 1.179 537 L CA -1.662 52.964 54.840 -0.356 0.000 0.828 537 L CB 0.039 41.839 42.059 -0.432 0.000 1.106 537 L HN -0.262 nan 8.230 nan 0.000 0.467 538 P HA -0.014 nan 4.420 nan 0.000 0.265 538 P C 0.150 177.269 177.300 -0.302 0.000 1.187 538 P CA 0.060 62.937 63.100 -0.371 0.000 0.766 538 P CB 0.481 31.878 31.700 -0.505 0.000 0.820 539 R N 2.420 122.755 120.500 -0.276 0.000 2.127 539 R HA -0.176 4.166 4.340 0.003 0.000 0.238 539 R C 1.184 177.415 176.300 -0.114 0.000 1.134 539 R CA 1.582 57.479 56.100 -0.339 0.000 0.975 539 R CB -0.331 29.610 30.300 -0.598 0.000 0.865 539 R HN 0.460 nan 8.270 nan 0.000 0.447 540 D N -0.356 120.078 120.400 0.056 0.000 2.221 540 D HA -0.137 4.504 4.640 0.003 0.000 0.204 540 D C 1.495 177.872 176.300 0.129 0.000 0.982 540 D CA 1.589 55.738 54.000 0.249 0.000 0.857 540 D CB 0.193 40.996 40.800 0.006 0.000 0.934 540 D HN 0.332 nan 8.370 nan 0.000 0.475 541 V N -2.398 117.459 119.914 -0.094 0.000 3.427 541 V HA 0.209 4.331 4.120 0.003 0.000 0.305 541 V C 0.611 176.652 176.094 -0.089 0.000 1.412 541 V CA -0.413 61.841 62.300 -0.076 0.000 1.086 541 V CB -0.138 31.563 31.823 -0.203 0.000 0.964 541 V HN -0.118 nan 8.190 nan 0.000 0.439 542 Q N 0.512 120.256 119.800 -0.094 0.000 2.454 542 Q HA 0.320 4.661 4.340 0.003 0.000 0.247 542 Q C -0.466 175.709 176.000 0.291 0.000 1.028 542 Q CA -0.567 55.176 55.803 -0.100 0.000 0.910 542 Q CB 0.636 29.255 28.738 -0.199 0.000 1.276 542 Q HN 0.464 nan 8.270 nan 0.000 0.489 543 F N 1.307 121.488 119.950 0.384 0.000 2.595 543 F HA -0.064 4.465 4.527 0.002 0.000 0.359 543 F C 1.217 177.195 175.800 0.297 0.000 1.147 543 F CA -0.284 57.870 58.000 0.256 0.000 1.341 543 F CB -0.047 39.029 39.000 0.127 0.000 1.104 543 F HN 0.492 nan 8.300 nan 0.000 0.603 544 T N -0.395 114.469 114.554 0.517 0.000 2.791 544 T HA -0.023 4.329 4.350 0.003 0.000 0.323 544 T C 0.893 175.751 174.700 0.264 0.000 1.082 544 T CA -0.344 61.965 62.100 0.347 0.000 1.084 544 T CB 0.433 69.436 68.868 0.225 0.000 0.992 544 T HN 0.505 nan 8.240 nan 0.000 0.547 545 D N 0.592 121.132 120.400 0.234 0.000 2.178 545 D HA -0.028 4.613 4.640 0.003 0.000 0.201 545 D C 2.021 178.398 176.300 0.128 0.000 0.980 545 D CA 1.114 55.231 54.000 0.194 0.000 0.842 545 D CB -0.037 40.903 40.800 0.233 0.000 0.948 545 D HN 0.739 nan 8.370 nan 0.000 0.472 546 E N 0.156 120.415 120.200 0.098 0.000 2.077 546 E HA -0.173 4.179 4.350 0.003 0.000 0.193 546 E C 1.753 178.357 176.600 0.007 0.000 0.989 546 E CA 0.904 57.333 56.400 0.049 0.000 0.800 546 E CB -0.002 29.716 29.700 0.030 0.000 0.746 546 E HN -0.022 nan 8.360 nan 0.000 0.452 547 K N 0.510 120.884 120.400 -0.044 0.000 2.103 547 K HA 0.058 4.379 4.320 0.003 0.000 0.204 547 K C 2.028 178.468 176.600 -0.267 0.000 1.052 547 K CA 1.185 57.309 56.287 -0.272 0.000 0.945 547 K CB -0.480 31.667 32.500 -0.589 0.000 0.722 547 K HN -0.004 nan 8.250 nan 0.000 0.443 548 S N 0.677 116.368 115.700 -0.014 0.000 2.365 548 S HA -0.190 4.282 4.470 0.003 0.000 0.225 548 S C 1.961 176.651 174.600 0.151 0.000 1.039 548 S CA 1.668 59.980 58.200 0.186 0.000 1.033 548 S CB -0.333 62.975 63.200 0.181 0.000 0.887 548 S HN 0.434 nan 8.310 nan 0.000 0.447 549 R N 0.773 121.329 120.500 0.092 0.000 2.075 549 R HA -0.054 4.287 4.340 0.003 0.000 0.232 549 R C 2.523 178.860 176.300 0.061 0.000 1.126 549 R CA 1.611 57.756 56.100 0.075 0.000 0.963 549 R CB -0.561 29.777 30.300 0.063 0.000 0.858 549 R HN 0.371 nan 8.270 nan 0.000 0.435 550 S N -0.257 115.470 115.700 0.046 0.000 2.359 550 S HA -0.231 4.241 4.470 0.003 0.000 0.224 550 S C 1.808 176.444 174.600 0.061 0.000 1.035 550 S CA 1.425 59.650 58.200 0.042 0.000 1.018 550 S CB -0.527 62.684 63.200 0.018 0.000 0.876 550 S HN 0.576 nan 8.310 nan 0.000 0.448 551 Y N 1.794 122.081 120.300 -0.021 0.000 2.114 551 Y HA -0.161 4.391 4.550 0.003 0.000 0.284 551 Y C 2.459 178.398 175.900 0.064 0.000 1.143 551 Y CA 2.345 60.472 58.100 0.045 0.000 1.135 551 Y CB -0.889 37.661 38.460 0.151 0.000 0.980 551 Y HN 0.373 nan 8.280 nan 0.000 0.499 552 Q N 0.041 119.794 119.800 -0.078 0.000 2.061 552 Q HA -0.233 4.109 4.340 0.003 0.000 0.204 552 Q C 2.175 178.103 176.000 -0.119 0.000 0.984 552 Q CA 2.210 57.934 55.803 -0.131 0.000 0.846 552 Q CB -0.212 28.542 28.738 0.027 0.000 0.902 552 Q HN 0.631 nan 8.270 nan 0.000 0.421 553 E N 0.053 120.229 120.200 -0.040 0.000 2.150 553 E HA -0.153 4.199 4.350 0.003 0.000 0.193 553 E C 2.190 178.805 176.600 0.025 0.000 0.985 553 E CA 1.193 57.593 56.400 0.001 0.000 0.814 553 E CB -0.038 29.682 29.700 0.033 0.000 0.752 553 E HN 0.335 nan 8.360 nan 0.000 0.466 554 S N 0.997 116.696 115.700 -0.001 0.000 2.383 554 S HA -0.107 4.365 4.470 0.003 0.000 0.227 554 S C 1.976 176.634 174.600 0.097 0.000 1.026 554 S CA 0.494 58.757 58.200 0.105 0.000 0.981 554 S CB -0.073 63.082 63.200 -0.074 0.000 0.818 554 S HN 0.083 nan 8.310 nan 0.000 0.472 555 R N 1.602 122.020 120.500 -0.137 0.000 2.092 555 R HA 0.124 4.466 4.340 0.003 0.000 0.231 555 R C 2.348 178.633 176.300 -0.025 0.000 1.119 555 R CA 1.308 57.339 56.100 -0.116 0.000 0.970 555 R CB -0.539 29.594 30.300 -0.278 0.000 0.864 555 R HN 0.571 nan 8.270 nan 0.000 0.440 556 K N 0.217 120.599 120.400 -0.032 0.000 2.031 556 K HA 0.008 4.329 4.320 0.003 0.000 0.205 556 K C 2.165 178.755 176.600 -0.016 0.000 1.049 556 K CA 1.211 57.486 56.287 -0.020 0.000 0.939 556 K CB -0.167 32.320 32.500 -0.021 0.000 0.717 556 K HN 0.080 nan 8.250 nan 0.000 0.438 557 A N 1.769 124.598 122.820 0.014 0.000 1.908 557 A HA -0.193 4.128 4.320 0.003 0.000 0.218 557 A C 2.393 179.897 177.584 -0.133 0.000 1.181 557 A CA 2.047 54.054 52.037 -0.051 0.000 0.627 557 A CB -0.770 18.246 19.000 0.026 0.000 0.818 557 A HN 0.356 nan 8.150 nan 0.000 0.445 558 A N -0.349 122.514 122.820 0.071 0.000 1.908 558 A HA -0.076 4.246 4.320 0.003 0.000 0.218 558 A C 2.194 179.815 177.584 0.061 0.000 1.181 558 A CA 1.558 53.713 52.037 0.197 0.000 0.627 558 A CB -0.610 18.626 19.000 0.394 0.000 0.818 558 A HN 0.487 nan 8.150 nan 0.000 0.445 559 L N -0.620 120.615 121.223 0.020 0.000 2.046 559 L HA -0.169 4.173 4.340 0.003 0.000 0.208 559 L C 2.565 179.392 176.870 -0.071 0.000 1.077 559 L CA 1.167 56.001 54.840 -0.010 0.000 0.747 559 L CB -0.537 41.513 42.059 -0.015 0.000 0.896 559 L HN 0.265 nan 8.230 nan 0.000 0.432 560 V N 0.084 119.927 119.914 -0.119 0.000 2.295 560 V HA -0.262 3.860 4.120 0.003 0.000 0.246 560 V C 2.192 178.132 176.094 -0.257 0.000 1.049 560 V CA 1.843 64.047 62.300 -0.160 0.000 1.024 560 V CB -0.665 31.068 31.823 -0.150 0.000 0.648 560 V HN 0.493 nan 8.190 nan 0.000 0.447 561 N N 0.175 118.605 118.700 -0.450 0.000 2.188 561 N HA -0.076 4.665 4.740 0.003 0.000 0.184 561 N C 1.804 177.069 175.510 -0.408 0.000 1.018 561 N CA 1.191 53.794 53.050 -0.746 0.000 0.858 561 N CB -0.453 36.936 38.487 -1.831 0.000 0.989 561 N HN 0.377 nan 8.380 nan 0.000 0.426 562 L N 0.338 121.471 121.223 -0.150 0.000 2.012 562 L HA -0.120 4.221 4.340 0.003 0.000 0.210 562 L C 2.421 179.276 176.870 -0.026 0.000 1.073 562 L CA 1.592 56.465 54.840 0.054 0.000 0.748 562 L CB -0.853 41.273 42.059 0.111 0.000 0.891 562 L HN 0.233 nan 8.230 nan 0.000 0.431 563 G N -0.252 108.509 108.800 -0.066 0.000 2.402 563 G HA2 -0.175 3.787 3.960 0.003 0.000 0.216 563 G HA3 -0.175 3.787 3.960 0.003 0.000 0.216 563 G C 1.582 176.442 174.900 -0.066 0.000 1.162 563 G CA 0.542 45.605 45.100 -0.062 0.000 0.777 563 G HN 0.256 nan 8.290 nan 0.000 0.539 564 I N 1.252 121.766 120.570 -0.094 0.000 2.142 564 I HA -0.089 4.082 4.170 0.003 0.000 0.240 564 I C 3.137 179.236 176.117 -0.031 0.000 1.078 564 I CA 1.073 62.325 61.300 -0.078 0.000 1.343 564 I CB -0.587 37.331 38.000 -0.137 0.000 1.046 564 I HN 0.242 nan 8.210 nan 0.000 0.405 565 G N -0.152 108.616 108.800 -0.053 0.000 2.476 565 G HA2 -0.367 3.595 3.960 0.003 0.000 0.218 565 G HA3 -0.367 3.595 3.960 0.003 0.000 0.218 565 G C 1.786 176.710 174.900 0.040 0.000 1.164 565 G CA 1.311 46.429 45.100 0.030 0.000 0.768 565 G HN 0.420 nan 8.290 nan 0.000 0.560 566 S N -0.001 115.687 115.700 -0.020 0.000 2.356 566 S HA -0.031 4.440 4.470 0.003 0.000 0.223 566 S C 2.475 177.003 174.600 -0.119 0.000 1.032 566 S CA 1.320 59.470 58.200 -0.083 0.000 1.005 566 S CB -0.306 62.839 63.200 -0.093 0.000 0.867 566 S HN 0.337 nan 8.310 nan 0.000 0.449 567 L N -0.304 120.875 121.223 -0.074 0.000 2.046 567 L HA -0.041 4.300 4.340 0.003 0.000 0.208 567 L C 2.346 179.176 176.870 -0.066 0.000 1.077 567 L CA 1.756 56.542 54.840 -0.089 0.000 0.747 567 L CB -0.552 41.491 42.059 -0.026 0.000 0.896 567 L HN 0.401 nan 8.230 nan 0.000 0.432 568 F N 0.819 120.706 119.950 -0.105 0.000 2.146 568 F HA -0.206 4.323 4.527 0.004 0.000 0.298 568 F C 2.454 178.212 175.800 -0.070 0.000 1.096 568 F CA 1.742 59.703 58.000 -0.065 0.000 1.275 568 F CB -0.003 38.973 39.000 -0.040 0.000 1.008 568 F HN 0.081 nan 8.300 nan 0.000 0.480 569 T N -2.401 112.148 114.554 -0.008 0.000 3.105 569 T HA 0.057 4.408 4.350 0.003 0.000 0.253 569 T C 1.509 176.065 174.700 -0.240 0.000 1.047 569 T CA 0.298 62.362 62.100 -0.061 0.000 0.944 569 T CB -0.188 68.721 68.868 0.068 0.000 1.016 569 T HN 0.254 nan 8.240 nan 0.000 0.544 570 M N 1.736 121.084 119.600 -0.420 0.000 2.103 570 M HA -0.017 4.465 4.480 0.003 0.000 0.255 570 M C 0.738 176.576 176.300 -0.771 0.000 1.074 570 M CA 1.804 56.650 55.300 -0.756 0.000 1.090 570 M CB -0.788 31.058 32.600 -1.256 0.000 1.325 570 M HN 0.435 nan 8.290 nan 0.000 0.403 571 F N -0.435 119.460 119.950 -0.092 0.000 2.653 571 F HA 0.282 4.811 4.527 0.003 0.000 0.304 571 F C 0.282 176.057 175.800 -0.042 0.000 1.092 571 F CA -0.746 57.210 58.000 -0.072 0.000 1.279 571 F CB -0.261 38.697 39.000 -0.070 0.000 1.044 571 F HN 0.020 nan 8.300 nan 0.000 0.564 572 E N 1.574 121.809 120.200 0.058 0.000 2.376 572 E HA 0.117 4.469 4.350 0.003 0.000 0.266 572 E C 0.368 177.092 176.600 0.207 0.000 1.009 572 E CA -0.055 56.438 56.400 0.156 0.000 0.902 572 E CB 0.392 30.268 29.700 0.293 0.000 0.972 572 E HN 0.449 nan 8.360 nan 0.000 0.439 573 N N 3.892 122.707 118.700 0.192 0.000 2.402 573 N HA 0.029 4.771 4.740 0.003 0.000 0.252 573 N C -1.130 174.542 175.510 0.272 0.000 1.118 573 N CA -0.461 52.691 53.050 0.170 0.000 0.945 573 N CB 0.175 38.716 38.487 0.090 0.000 1.147 573 N HN 0.342 nan 8.380 nan 0.000 0.495 574 W N 1.990 123.242 121.300 -0.081 0.000 2.507 574 W HA 0.277 4.938 4.660 0.001 0.000 0.334 574 W C 0.274 176.744 176.519 -0.082 0.000 1.165 574 W CA -0.570 56.708 57.345 -0.112 0.000 1.460 574 W CB 0.674 30.020 29.460 -0.189 0.000 1.404 574 W HN 0.765 nan 8.180 nan 0.000 0.435 575 D N 0.987 121.380 120.400 -0.013 0.000 2.540 575 D HA 0.092 4.733 4.640 0.003 0.000 0.229 575 D C 0.000 176.237 176.300 -0.106 0.000 1.250 575 D CA -0.054 53.923 54.000 -0.037 0.000 0.817 575 D CB -0.090 40.698 40.800 -0.019 0.000 1.060 575 D HN 0.116 nan 8.370 nan 0.000 0.508 576 S N -1.361 114.241 115.700 -0.164 0.000 2.607 576 S HA 0.360 4.831 4.470 0.003 0.000 0.273 576 S C 0.355 174.905 174.600 -0.083 0.000 1.148 576 S CA -0.776 57.329 58.200 -0.159 0.000 0.833 576 S CB 0.563 63.721 63.200 -0.071 0.000 1.130 576 S HN -0.049 nan 8.310 nan 0.000 0.470 577 Y N 0.535 120.936 120.300 0.169 0.000 2.274 577 Y HA -0.108 4.445 4.550 0.004 0.000 0.290 577 Y C 1.876 177.932 175.900 0.259 0.000 1.145 577 Y CA 1.195 59.428 58.100 0.221 0.000 1.203 577 Y CB -0.196 38.493 38.460 0.381 0.000 0.984 577 Y HN 0.603 nan 8.280 nan 0.000 0.533 578 D N -0.032 120.591 120.400 0.372 0.000 2.310 578 D HA -0.133 4.508 4.640 0.003 0.000 0.212 578 D C 1.349 177.736 176.300 0.144 0.000 0.965 578 D CA 0.843 55.073 54.000 0.384 0.000 0.879 578 D CB -0.315 40.674 40.800 0.315 0.000 0.921 578 D HN 0.391 nan 8.370 nan 0.000 0.510 579 D N -0.218 120.031 120.400 -0.252 0.000 2.182 579 D HA -0.170 4.471 4.640 0.003 0.000 0.201 579 D C 1.642 177.417 176.300 -0.876 0.000 0.986 579 D CA 0.719 54.218 54.000 -0.834 0.000 0.847 579 D CB -0.295 39.432 40.800 -1.788 0.000 0.942 579 D HN 0.385 nan 8.370 nan 0.000 0.467 580 Y N 0.481 120.437 120.300 -0.573 0.000 2.421 580 Y HA -0.121 4.430 4.550 0.002 0.000 0.292 580 Y C 2.381 178.262 175.900 -0.032 0.000 1.136 580 Y CA 0.796 58.743 58.100 -0.255 0.000 1.255 580 Y CB -0.263 37.912 38.460 -0.476 0.000 0.991 580 Y HN 0.236 nan 8.280 nan 0.000 0.552 581 H N -1.173 118.060 119.070 0.271 0.000 2.456 581 H HA -0.142 4.415 4.556 0.002 0.000 0.296 581 H C 2.205 177.233 175.328 -0.500 0.000 1.079 581 H CA 1.450 57.433 56.048 -0.109 0.000 1.322 581 H CB -0.156 29.549 29.762 -0.095 0.000 1.388 581 H HN 0.352 nan 8.280 nan 0.000 0.538 582 I N 1.172 121.700 120.570 -0.070 0.000 2.493 582 I HA -0.188 3.984 4.170 0.003 0.000 0.254 582 I C 2.062 178.168 176.117 -0.017 0.000 1.160 582 I CA 0.861 62.140 61.300 -0.035 0.000 1.445 582 I CB -0.365 37.710 38.000 0.125 0.000 1.086 582 I HN 0.088 nan 8.210 nan 0.000 0.433 583 L N -0.409 120.843 121.223 0.048 0.000 2.275 583 L HA -0.164 4.177 4.340 0.003 0.000 0.215 583 L C 1.920 178.933 176.870 0.238 0.000 1.119 583 L CA 0.930 55.873 54.840 0.172 0.000 0.790 583 L CB -0.829 41.352 42.059 0.203 0.000 0.919 583 L HN 0.454 nan 8.230 nan 0.000 0.443 584 Y N -2.610 117.847 120.300 0.262 0.000 2.457 584 Y HA 0.248 4.800 4.550 0.003 0.000 0.263 584 Y C 2.239 178.336 175.900 0.329 0.000 1.164 584 Y CA -0.638 57.617 58.100 0.259 0.000 1.274 584 Y CB -0.680 37.879 38.460 0.165 0.000 1.097 584 Y HN -0.128 nan 8.280 nan 0.000 0.523 585 R N 1.431 122.044 120.500 0.187 0.000 2.115 585 R HA -0.070 4.272 4.340 0.003 0.000 0.226 585 R C 0.897 177.265 176.300 0.113 0.000 1.100 585 R CA 1.253 57.433 56.100 0.134 0.000 0.980 585 R CB -0.124 30.152 30.300 -0.041 0.000 0.875 585 R HN 0.526 nan 8.270 nan 0.000 0.445 586 N N -0.770 117.971 118.700 0.069 0.000 2.279 586 N HA -0.045 4.696 4.740 0.003 0.000 0.226 586 N C -1.007 174.301 175.510 -0.336 0.000 1.126 586 N CA -0.039 52.913 53.050 -0.164 0.000 0.846 586 N CB 0.041 38.354 38.487 -0.290 0.000 1.050 586 N HN 0.024 nan 8.380 nan 0.000 0.502 587 W N 0.318 121.596 121.300 -0.036 0.000 2.666 587 W HA 0.549 5.210 4.660 0.002 0.000 0.334 587 W C 0.172 176.680 176.519 -0.018 0.000 1.051 587 W CA -0.846 56.440 57.345 -0.099 0.000 1.224 587 W CB 1.232 30.654 29.460 -0.062 0.000 1.405 587 W HN -0.192 nan 8.180 nan 0.000 0.513 588 I N 4.854 125.528 120.570 0.173 0.000 2.269 588 I HA 0.078 4.250 4.170 0.003 0.000 0.293 588 I C 0.383 176.719 176.117 0.365 0.000 1.106 588 I CA 0.108 61.547 61.300 0.232 0.000 1.248 588 I CB 0.085 38.214 38.000 0.214 0.000 1.444 588 I HN 0.563 nan 8.210 nan 0.000 0.497 589 L N 4.496 125.898 121.223 0.297 0.000 2.693 589 L HA 0.280 4.621 4.340 0.003 0.000 0.235 589 L C 1.435 178.423 176.870 0.197 0.000 1.127 589 L CA 0.194 55.198 54.840 0.274 0.000 0.914 589 L CB 0.301 42.490 42.059 0.217 0.000 1.193 589 L HN 0.876 nan 8.230 nan 0.000 0.502 590 G N 0.281 109.185 108.800 0.174 0.000 2.132 590 G HA2 -0.054 3.907 3.960 0.003 0.000 0.234 590 G HA3 -0.054 3.907 3.960 0.003 0.000 0.234 590 G C 0.469 175.427 174.900 0.097 0.000 0.989 590 G CA -0.035 45.147 45.100 0.136 0.000 0.676 590 G HN 0.806 nan 8.290 nan 0.000 0.522 591 G N -2.165 106.688 108.800 0.089 0.000 2.402 591 G HA2 0.461 4.423 3.960 0.003 0.000 0.666 591 G HA3 0.461 4.423 3.960 0.003 0.000 0.666 591 G C -0.260 174.647 174.900 0.011 0.000 1.402 591 G CA 0.144 45.275 45.100 0.051 0.000 0.920 591 G HN 1.285 nan 8.290 nan 0.000 0.651 592 T N 3.370 117.917 114.554 -0.012 0.000 2.891 592 T HA 0.330 4.681 4.350 0.003 0.000 0.296 592 T C -1.851 172.738 174.700 -0.184 0.000 1.025 592 T CA 0.538 62.558 62.100 -0.133 0.000 1.149 592 T CB 0.459 69.306 68.868 -0.035 0.000 1.007 592 T HN 0.453 nan 8.240 nan 0.000 0.528 593 P HA 0.007 nan 4.420 nan 0.000 0.261 593 P C 0.904 178.143 177.300 -0.103 0.000 1.183 593 P CA 0.049 63.039 63.100 -0.183 0.000 0.761 593 P CB 0.152 31.709 31.700 -0.238 0.000 0.785 594 N N 3.173 121.849 118.700 -0.041 0.000 2.573 594 N HA -0.115 4.627 4.740 0.003 0.000 0.187 594 N C 0.757 176.211 175.510 -0.094 0.000 1.107 594 N CA 0.485 53.498 53.050 -0.063 0.000 0.918 594 N CB -0.203 38.263 38.487 -0.035 0.000 0.966 594 N HN 0.283 nan 8.380 nan 0.000 0.448 595 M N 0.175 119.760 119.600 -0.026 0.000 2.441 595 M HA 0.232 4.714 4.480 0.003 0.000 0.244 595 M C 2.023 178.386 176.300 0.104 0.000 1.122 595 M CA -0.091 55.222 55.300 0.023 0.000 1.041 595 M CB -0.313 32.348 32.600 0.102 0.000 1.438 595 M HN 0.281 nan 8.290 nan 0.000 0.484 596 A N 1.529 124.368 122.820 0.032 0.000 1.978 596 A HA -0.180 4.142 4.320 0.003 0.000 0.220 596 A C 1.601 179.242 177.584 0.096 0.000 1.170 596 A CA 2.140 54.168 52.037 -0.016 0.000 0.636 596 A CB -0.633 18.381 19.000 0.024 0.000 0.810 596 A HN 0.573 nan 8.150 nan 0.000 0.448 597 D N -0.952 119.481 120.400 0.055 0.000 2.340 597 D HA -0.059 4.583 4.640 0.003 0.000 0.220 597 D C 1.266 177.634 176.300 0.114 0.000 1.039 597 D CA 0.771 54.805 54.000 0.056 0.000 0.866 597 D CB -0.252 40.520 40.800 -0.045 0.000 0.913 597 D HN 0.723 nan 8.370 nan 0.000 0.523 598 R N -0.373 120.186 120.500 0.097 0.000 2.526 598 R HA 0.116 4.457 4.340 0.003 0.000 0.346 598 R C 1.585 177.869 176.300 -0.026 0.000 0.926 598 R CA -0.490 55.555 56.100 -0.092 0.000 1.147 598 R CB -1.221 28.787 30.300 -0.487 0.000 1.629 598 R HN 0.139 nan 8.270 nan 0.000 0.516 599 W N 3.094 124.487 121.300 0.155 0.000 2.331 599 W HA -0.204 4.458 4.660 0.002 0.000 0.291 599 W C 0.925 177.567 176.519 0.204 0.000 1.214 599 W CA 1.694 59.167 57.345 0.214 0.000 1.228 599 W CB -1.022 28.622 29.460 0.306 0.000 1.135 599 W HN 0.259 nan 8.180 nan 0.000 0.537 600 H N 0.335 118.711 119.070 -1.158 0.000 2.551 600 H HA 0.253 4.811 4.556 0.003 0.000 0.266 600 H C -0.423 174.623 175.328 -0.470 0.000 0.977 600 H CA 0.492 55.758 56.048 -1.305 0.000 1.163 600 H CB -0.790 27.971 29.762 -1.668 0.000 1.381 600 H HN 0.217 nan 8.280 nan 0.000 0.581 601 E N 1.730 121.539 120.200 -0.651 0.000 2.200 601 E HA 0.027 4.378 4.350 0.003 0.000 0.283 601 E C 0.052 176.640 176.600 -0.020 0.000 1.015 601 E CA -0.529 55.684 56.400 -0.311 0.000 0.819 601 E CB 1.275 30.869 29.700 -0.175 0.000 1.081 601 E HN 0.103 nan 8.360 nan 0.000 0.397 602 D N 2.099 122.507 120.400 0.013 0.000 2.149 602 D HA -0.230 4.412 4.640 0.003 0.000 0.194 602 D C 1.744 178.148 176.300 0.173 0.000 1.001 602 D CA 1.201 55.289 54.000 0.146 0.000 0.849 602 D CB 0.088 40.986 40.800 0.164 0.000 0.939 602 D HN 0.345 nan 8.370 nan 0.000 0.449 603 R N -0.203 120.288 120.500 -0.015 0.000 2.081 603 R HA -0.138 4.204 4.340 0.003 0.000 0.235 603 R C 2.150 178.265 176.300 -0.308 0.000 1.131 603 R CA 1.160 57.124 56.100 -0.226 0.000 0.960 603 R CB -0.668 29.311 30.300 -0.536 0.000 0.856 603 R HN 0.328 nan 8.270 nan 0.000 0.436 604 W N -0.465 120.866 121.300 0.051 0.000 2.518 604 W HA -0.054 4.607 4.660 0.002 0.000 0.273 604 W C 2.002 178.647 176.519 0.211 0.000 1.247 604 W CA 0.018 57.397 57.345 0.056 0.000 1.288 604 W CB -0.452 28.972 29.460 -0.061 0.000 1.107 604 W HN 0.060 nan 8.180 nan 0.000 0.586 605 F N 1.001 121.106 119.950 0.259 0.000 2.113 605 F HA -0.045 4.483 4.527 0.003 0.000 0.297 605 F C 2.268 178.326 175.800 0.430 0.000 1.103 605 F CA 2.271 60.439 58.000 0.281 0.000 1.248 605 F CB -0.773 38.351 39.000 0.206 0.000 0.999 605 F HN -0.152 nan 8.300 nan 0.000 0.475 606 G N -1.488 107.648 108.800 0.560 0.000 2.403 606 G HA2 -0.331 3.631 3.960 0.003 0.000 0.216 606 G HA3 -0.331 3.631 3.960 0.003 0.000 0.216 606 G C 1.550 176.607 174.900 0.261 0.000 1.154 606 G CA 0.725 46.133 45.100 0.512 0.000 0.784 606 G HN 0.528 nan 8.290 nan 0.000 0.538 607 Y N 1.350 121.679 120.300 0.049 0.000 2.193 607 Y HA -0.223 4.329 4.550 0.002 0.000 0.285 607 Y C 2.842 178.752 175.900 0.016 0.000 1.166 607 Y CA 2.264 60.353 58.100 -0.017 0.000 1.181 607 Y CB 0.024 38.499 38.460 0.025 0.000 0.976 607 Y HN 0.310 nan 8.280 nan 0.000 0.520 608 Q N -1.276 118.599 119.800 0.125 0.000 2.435 608 Q HA -0.083 4.259 4.340 0.003 0.000 0.207 608 Q C 1.545 177.343 176.000 -0.337 0.000 0.956 608 Q CA 0.723 56.481 55.803 -0.075 0.000 0.917 608 Q CB -0.180 28.476 28.738 -0.137 0.000 0.997 608 Q HN 0.513 nan 8.270 nan 0.000 0.497 609 F N -0.110 119.668 119.950 -0.287 0.000 2.502 609 F HA -0.074 4.454 4.527 0.002 0.000 0.298 609 F C 1.623 177.154 175.800 -0.449 0.000 1.111 609 F CA 0.839 58.603 58.000 -0.394 0.000 1.445 609 F CB 0.137 38.756 39.000 -0.634 0.000 1.081 609 F HN 0.036 nan 8.300 nan 0.000 0.558 610 L N -1.172 119.826 121.223 -0.375 0.000 2.286 610 L HA 0.079 4.421 4.340 0.003 0.000 0.203 610 L C 1.270 178.050 176.870 -0.150 0.000 1.068 610 L CA 0.653 55.193 54.840 -0.501 0.000 0.811 610 L CB -0.155 41.470 42.059 -0.723 0.000 0.989 610 L HN -0.014 nan 8.230 nan 0.000 0.467 611 N N -0.373 118.193 118.700 -0.224 0.000 2.160 611 N HA 0.149 4.891 4.740 0.003 0.000 0.226 611 N C 0.581 176.283 175.510 0.319 0.000 1.256 611 N CA 0.244 53.287 53.050 -0.012 0.000 0.890 611 N CB 1.366 39.688 38.487 -0.274 0.000 1.116 611 N HN 0.164 nan 8.380 nan 0.000 0.517 612 G N 0.127 108.997 108.800 0.118 0.000 2.531 612 G HA2 0.446 4.407 3.960 0.003 0.000 0.253 612 G HA3 0.446 4.407 3.960 0.003 0.000 0.253 612 G C 0.907 175.761 174.900 -0.077 0.000 1.439 612 G CA 0.274 45.450 45.100 0.126 0.000 1.056 612 G HN 0.089 nan 8.290 nan 0.000 0.555 613 A N -1.218 121.338 122.820 -0.439 0.000 2.119 613 A HA 0.093 4.414 4.320 0.003 0.000 0.216 613 A C 1.426 178.652 177.584 -0.597 0.000 1.152 613 A CA 0.860 52.445 52.037 -0.753 0.000 0.708 613 A CB -0.228 17.863 19.000 -1.515 0.000 0.805 613 A HN 0.546 nan 8.150 nan 0.000 0.460 614 N N 0.123 118.534 118.700 -0.483 0.000 2.757 614 N HA 0.154 4.895 4.740 0.003 0.000 0.296 614 N C -2.580 172.843 175.510 -0.144 0.000 1.874 614 N CA -1.036 51.906 53.050 -0.179 0.000 0.885 614 N CB 1.013 39.453 38.487 -0.078 0.000 1.242 614 N HN 0.138 nan 8.380 nan 0.000 0.488 615 P HA 0.059 nan 4.420 nan 0.000 0.253 615 P C 0.898 178.136 177.300 -0.102 0.000 1.508 615 P CA 0.257 63.220 63.100 -0.228 0.000 0.883 615 P CB -0.005 31.415 31.700 -0.467 0.000 1.519 616 V N -4.446 115.455 119.914 -0.022 0.000 3.477 616 V HA 0.279 4.401 4.120 0.003 0.000 0.297 616 V C 1.558 177.700 176.094 0.081 0.000 1.433 616 V CA 0.113 62.459 62.300 0.078 0.000 1.052 616 V CB -0.282 31.615 31.823 0.124 0.000 0.895 616 V HN 0.038 nan 8.190 nan 0.000 0.438 617 I N -0.277 120.293 120.570 0.001 0.000 4.139 617 I HA 0.389 4.561 4.170 0.003 0.000 0.320 617 I C 0.837 176.886 176.117 -0.113 0.000 1.290 617 I CA -0.233 60.995 61.300 -0.120 0.000 1.253 617 I CB 1.014 38.746 38.000 -0.448 0.000 1.122 617 I HN 0.338 nan 8.210 nan 0.000 0.421 618 L N 2.610 123.782 121.223 -0.085 0.000 2.513 618 L HA 0.160 4.501 4.340 0.003 0.000 0.272 618 L C 0.232 177.103 176.870 0.002 0.000 1.187 618 L CA 1.015 55.791 54.840 -0.106 0.000 0.895 618 L CB 0.381 42.290 42.059 -0.250 0.000 1.147 618 L HN 0.346 nan 8.230 nan 0.000 0.483 619 T N 3.134 117.726 114.554 0.063 0.000 2.906 619 T HA 0.436 4.787 4.350 0.003 0.000 0.295 619 T C -0.120 174.685 174.700 0.174 0.000 1.061 619 T CA -1.056 61.116 62.100 0.120 0.000 1.000 619 T CB 1.058 69.959 68.868 0.054 0.000 1.103 619 T HN 0.738 nan 8.240 nan 0.000 0.486 620 R N 0.902 121.476 120.500 0.124 0.000 2.522 620 R HA 0.284 4.626 4.340 0.003 0.000 0.284 620 R C -0.263 175.931 176.300 -0.177 0.000 1.032 620 R CA -0.356 55.592 56.100 -0.253 0.000 1.049 620 R CB -0.214 29.977 30.300 -0.181 0.000 0.956 620 R HN 0.783 nan 8.270 nan 0.000 0.422 621 C N 5.329 124.487 119.300 -0.236 0.000 2.303 621 C HA 0.217 4.678 4.460 0.003 0.000 0.341 621 C C 0.597 175.525 174.990 -0.103 0.000 1.244 621 C CA -0.672 58.292 59.018 -0.090 0.000 1.765 621 C CB -0.110 27.614 27.740 -0.026 0.000 2.379 621 C HN 0.822 nan 8.230 nan 0.000 0.530 622 D N 2.931 123.295 120.400 -0.060 0.000 2.389 622 D HA 0.306 4.948 4.640 0.003 0.000 0.206 622 D C 0.364 176.645 176.300 -0.032 0.000 1.055 622 D CA 0.779 54.747 54.000 -0.054 0.000 0.856 622 D CB 0.709 41.484 40.800 -0.042 0.000 0.957 622 D HN 0.781 nan 8.370 nan 0.000 0.509 623 A N 0.384 123.196 122.820 -0.014 0.000 2.573 623 A HA 0.341 4.662 4.320 0.003 0.000 0.299 623 A C -1.234 176.364 177.584 0.024 0.000 1.060 623 A CA -0.690 51.345 52.037 -0.002 0.000 0.736 623 A CB 0.793 19.792 19.000 -0.001 0.000 1.280 623 A HN -0.064 nan 8.150 nan 0.000 0.401 624 L N 2.301 123.540 121.223 0.027 0.000 2.456 624 L HA 0.288 4.629 4.340 0.003 0.000 0.272 624 L C -1.811 175.113 176.870 0.089 0.000 1.189 624 L CA -0.627 54.255 54.840 0.071 0.000 0.846 624 L CB -0.311 41.756 42.059 0.013 0.000 1.111 624 L HN 0.503 nan 8.230 nan 0.000 0.475 625 P HA 0.080 nan 4.420 nan 0.000 0.269 625 P C 0.619 177.993 177.300 0.124 0.000 1.215 625 P CA -0.199 62.976 63.100 0.125 0.000 0.780 625 P CB 0.538 32.325 31.700 0.146 0.000 0.898 626 S N 0.790 116.539 115.700 0.082 0.000 2.481 626 S HA -0.146 4.326 4.470 0.003 0.000 0.231 626 S C 1.065 175.715 174.600 0.084 0.000 0.996 626 S CA 0.998 59.236 58.200 0.064 0.000 0.942 626 S CB -1.137 62.088 63.200 0.041 0.000 0.768 626 S HN 0.677 nan 8.310 nan 0.000 0.520 627 N N -0.637 118.129 118.700 0.109 0.000 2.322 627 N HA 0.134 4.875 4.740 0.003 0.000 0.194 627 N C -0.242 175.396 175.510 0.214 0.000 1.126 627 N CA -0.317 52.803 53.050 0.117 0.000 0.845 627 N CB -0.038 38.498 38.487 0.081 0.000 0.976 627 N HN 0.324 nan 8.380 nan 0.000 0.475 628 F N 2.126 122.088 119.950 0.020 0.000 2.531 628 F HA 0.459 4.987 4.527 0.002 0.000 0.333 628 F C -2.592 173.219 175.800 0.020 0.000 1.292 628 F CA -3.420 54.592 58.000 0.020 0.000 1.184 628 F CB 1.274 40.291 39.000 0.028 0.000 1.426 628 F HN -0.009 nan 8.300 nan 0.000 0.559 629 P HA 0.080 nan 4.420 nan 0.000 0.218 629 P C -0.315 176.932 177.300 -0.089 0.000 1.793 629 P CA 0.311 63.387 63.100 -0.039 0.000 0.941 629 P CB 0.207 31.917 31.700 0.018 0.000 1.919 630 V N 1.719 121.468 119.914 -0.275 0.000 2.583 630 V HA 0.247 4.368 4.120 0.003 0.000 0.287 630 V C 1.265 177.334 176.094 -0.041 0.000 1.051 630 V CA 0.198 62.385 62.300 -0.189 0.000 1.010 630 V CB 1.042 32.547 31.823 -0.530 0.000 0.988 630 V HN 0.408 nan 8.190 nan 0.000 0.478 631 T N 0.812 115.409 114.554 0.072 0.000 2.950 631 T HA 0.320 4.671 4.350 0.003 0.000 0.288 631 T C 0.981 175.599 174.700 -0.136 0.000 1.035 631 T CA -0.776 61.245 62.100 -0.132 0.000 1.028 631 T CB 1.185 69.872 68.868 -0.301 0.000 1.109 631 T HN 0.566 nan 8.240 nan 0.000 0.514 632 N N 0.674 119.290 118.700 -0.139 0.000 2.137 632 N HA -0.190 4.552 4.740 0.003 0.000 0.190 632 N C 1.305 176.725 175.510 -0.150 0.000 1.017 632 N CA 1.490 54.461 53.050 -0.131 0.000 0.859 632 N CB -0.135 38.282 38.487 -0.116 0.000 1.002 632 N HN 0.667 nan 8.380 nan 0.000 0.428 633 E N 0.343 120.421 120.200 -0.204 0.000 2.150 633 E HA -0.100 4.251 4.350 0.003 0.000 0.193 633 E C 1.818 178.307 176.600 -0.186 0.000 0.985 633 E CA 0.740 57.010 56.400 -0.217 0.000 0.814 633 E CB -0.190 29.350 29.700 -0.267 0.000 0.752 633 E HN 0.446 nan 8.360 nan 0.000 0.466 634 H N -0.846 118.149 119.070 -0.125 0.000 2.387 634 H HA -0.045 4.513 4.556 0.003 0.000 0.299 634 H C 1.768 177.029 175.328 -0.111 0.000 1.090 634 H CA 1.762 57.737 56.048 -0.121 0.000 1.332 634 H CB 0.006 29.684 29.762 -0.139 0.000 1.386 634 H HN 0.231 nan 8.280 nan 0.000 0.516 635 V N -0.569 119.335 119.914 -0.016 0.000 3.337 635 V HA 0.089 4.211 4.120 0.003 0.000 0.307 635 V C 1.497 177.518 176.094 -0.121 0.000 1.505 635 V CA 0.178 62.447 62.300 -0.051 0.000 1.072 635 V CB 0.135 31.914 31.823 -0.074 0.000 0.929 635 V HN 0.342 nan 8.190 nan 0.000 0.455 636 N N 2.961 121.572 118.700 -0.148 0.000 2.223 636 N HA -0.148 4.594 4.740 0.003 0.000 0.185 636 N C 1.722 177.122 175.510 -0.184 0.000 1.016 636 N CA 1.864 54.814 53.050 -0.167 0.000 0.863 636 N CB -0.201 38.198 38.487 -0.147 0.000 0.983 636 N HN 0.619 nan 8.380 nan 0.000 0.429 637 A N 0.610 123.275 122.820 -0.259 0.000 2.076 637 A HA -0.059 4.262 4.320 0.003 0.000 0.220 637 A C 2.283 179.774 177.584 -0.154 0.000 1.160 637 A CA 1.529 53.350 52.037 -0.360 0.000 0.653 637 A CB -0.492 17.996 19.000 -0.853 0.000 0.801 637 A HN 0.436 nan 8.150 nan 0.000 0.455 638 S N -0.836 114.853 115.700 -0.019 0.000 2.503 638 S HA 0.260 4.732 4.470 0.003 0.000 0.217 638 S C 0.620 175.188 174.600 -0.052 0.000 0.999 638 S CA -0.222 58.021 58.200 0.071 0.000 0.914 638 S CB -0.182 63.073 63.200 0.091 0.000 0.782 638 S HN 0.474 nan 8.310 nan 0.000 0.520 639 L N 2.705 123.793 121.223 -0.226 0.000 2.436 639 L HA 0.277 4.618 4.340 0.003 0.000 0.265 639 L C 0.498 177.342 176.870 -0.044 0.000 1.168 639 L CA -0.173 54.444 54.840 -0.372 0.000 0.815 639 L CB 0.344 42.159 42.059 -0.407 0.000 1.109 639 L HN 0.215 nan 8.230 nan 0.000 0.462 640 D N -0.535 119.939 120.400 0.124 0.000 2.640 640 D HA 0.026 4.668 4.640 0.003 0.000 0.282 640 D C 0.778 177.147 176.300 0.115 0.000 1.558 640 D CA -0.344 53.725 54.000 0.114 0.000 0.820 640 D CB 0.098 40.971 40.800 0.121 0.000 1.243 640 D HN 0.359 nan 8.370 nan 0.000 0.456 641 R N 0.464 121.055 120.500 0.152 0.000 2.393 641 R HA 0.422 4.764 4.340 0.003 0.000 0.244 641 R C 1.105 177.447 176.300 0.071 0.000 0.920 641 R CA 0.411 56.579 56.100 0.114 0.000 1.076 641 R CB 0.586 30.985 30.300 0.165 0.000 1.119 641 R HN 0.187 nan 8.270 nan 0.000 0.524 642 G N 1.935 110.761 108.800 0.043 0.000 2.198 642 G HA2 -0.328 3.633 3.960 0.003 0.000 0.260 642 G HA3 -0.328 3.633 3.960 0.003 0.000 0.260 642 G C -0.224 174.686 174.900 0.016 0.000 1.025 642 G CA 0.475 45.585 45.100 0.018 0.000 0.769 642 G HN 0.264 nan 8.290 nan 0.000 0.507 643 K N 0.085 120.499 120.400 0.022 0.000 2.328 643 K HA 0.386 4.708 4.320 0.003 0.000 0.246 643 K C 0.589 177.172 176.600 -0.027 0.000 0.955 643 K CA -0.623 55.671 56.287 0.013 0.000 0.817 643 K CB 1.501 34.032 32.500 0.052 0.000 1.208 643 K HN 0.418 nan 8.250 nan 0.000 0.432 644 N N 1.291 119.967 118.700 -0.039 0.000 2.405 644 N HA 0.037 4.779 4.740 0.003 0.000 0.269 644 N C 0.836 176.301 175.510 -0.075 0.000 1.249 644 N CA -0.621 52.387 53.050 -0.070 0.000 0.974 644 N CB 0.699 39.146 38.487 -0.067 0.000 1.204 644 N HN 0.321 nan 8.380 nan 0.000 0.565 645 L N 1.040 122.205 121.223 -0.096 0.000 1.989 645 L HA -0.191 4.150 4.340 0.003 0.000 0.211 645 L C 1.971 178.808 176.870 -0.055 0.000 1.071 645 L CA 2.079 56.864 54.840 -0.091 0.000 0.749 645 L CB -1.067 40.933 42.059 -0.098 0.000 0.890 645 L HN 0.666 nan 8.230 nan 0.000 0.431 646 D N -1.056 119.311 120.400 -0.055 0.000 2.182 646 D HA -0.203 4.439 4.640 0.003 0.000 0.201 646 D C 2.052 178.332 176.300 -0.034 0.000 0.986 646 D CA 1.497 55.471 54.000 -0.044 0.000 0.847 646 D CB -0.159 40.614 40.800 -0.045 0.000 0.942 646 D HN 0.649 nan 8.370 nan 0.000 0.467 647 E N -0.310 119.873 120.200 -0.028 0.000 2.112 647 E HA -0.097 4.254 4.350 0.003 0.000 0.190 647 E C 2.336 178.936 176.600 -0.001 0.000 0.979 647 E CA 0.559 56.950 56.400 -0.016 0.000 0.814 647 E CB 0.031 29.726 29.700 -0.008 0.000 0.762 647 E HN 0.295 nan 8.360 nan 0.000 0.460 648 E N 0.875 121.089 120.200 0.024 0.000 2.106 648 E HA -0.140 4.211 4.350 0.003 0.000 0.192 648 E C 2.168 178.790 176.600 0.035 0.000 0.984 648 E CA 0.630 57.087 56.400 0.094 0.000 0.806 648 E CB -0.107 29.689 29.700 0.160 0.000 0.750 648 E HN 0.345 nan 8.360 nan 0.000 0.458 649 I N 1.130 121.698 120.570 -0.003 0.000 2.118 649 I HA -0.343 3.828 4.170 0.003 0.000 0.241 649 I C 2.462 178.535 176.117 -0.073 0.000 1.070 649 I CA 1.500 62.773 61.300 -0.045 0.000 1.327 649 I CB -0.344 37.631 38.000 -0.042 0.000 1.034 649 I HN -0.008 nan 8.210 nan 0.000 0.405 650 K N -0.454 119.911 120.400 -0.059 0.000 2.097 650 K HA -0.220 4.102 4.320 0.003 0.000 0.206 650 K C 1.551 178.092 176.600 -0.098 0.000 1.049 650 K CA 1.522 57.770 56.287 -0.066 0.000 0.933 650 K CB -0.699 31.772 32.500 -0.047 0.000 0.717 650 K HN 0.402 nan 8.250 nan 0.000 0.442 651 D N -0.838 119.486 120.400 -0.127 0.000 2.363 651 D HA 0.073 4.715 4.640 0.003 0.000 0.226 651 D C 0.868 176.920 176.300 -0.413 0.000 1.020 651 D CA 0.797 54.650 54.000 -0.244 0.000 0.892 651 D CB -0.144 40.511 40.800 -0.241 0.000 0.900 651 D HN 0.428 nan 8.370 nan 0.000 0.531 652 G N 0.565 109.212 108.800 -0.255 0.000 2.246 652 G HA2 -0.319 3.643 3.960 0.003 0.000 0.273 652 G HA3 -0.319 3.643 3.960 0.003 0.000 0.273 652 G C 0.440 175.294 174.900 -0.077 0.000 1.055 652 G CA 0.398 45.374 45.100 -0.207 0.000 0.851 652 G HN 0.596 nan 8.290 nan 0.000 0.500 653 H N -1.219 117.892 119.070 0.069 0.000 2.672 653 H HA 0.352 4.910 4.556 0.003 0.000 0.277 653 H C 0.758 176.243 175.328 0.262 0.000 1.074 653 H CA -0.668 55.509 56.048 0.216 0.000 1.173 653 H CB 0.813 30.677 29.762 0.170 0.000 1.558 653 H HN 0.321 nan 8.280 nan 0.000 0.539 654 I N 1.380 121.990 120.570 0.067 0.000 2.404 654 I HA 0.210 4.381 4.170 0.003 0.000 0.293 654 I C -0.812 175.133 176.117 -0.286 0.000 0.992 654 I CA -0.574 60.771 61.300 0.075 0.000 1.149 654 I CB 0.963 39.005 38.000 0.070 0.000 1.315 654 I HN 0.095 nan 8.210 nan 0.000 0.446 655 Y N 5.624 126.040 120.300 0.193 0.000 2.545 655 Y HA 0.641 5.193 4.550 0.002 0.000 0.348 655 Y C -0.192 175.854 175.900 0.244 0.000 1.002 655 Y CA -0.750 57.436 58.100 0.143 0.000 1.039 655 Y CB 2.834 41.313 38.460 0.032 0.000 1.271 655 Y HN 0.410 nan 8.280 nan 0.000 0.467 656 I N 2.667 123.402 120.570 0.274 0.000 2.769 656 I HA 0.714 4.886 4.170 0.003 0.000 0.298 656 I C -1.484 174.710 176.117 0.129 0.000 1.128 656 I CA -1.147 60.308 61.300 0.259 0.000 1.031 656 I CB 1.765 39.872 38.000 0.178 0.000 1.235 656 I HN 0.487 nan 8.210 nan 0.000 0.423 657 V N 2.606 122.592 119.914 0.119 0.000 2.628 657 V HA 0.728 4.850 4.120 0.003 0.000 0.306 657 V C -1.323 174.677 176.094 -0.156 0.000 1.045 657 V CA -0.297 61.949 62.300 -0.090 0.000 0.905 657 V CB 1.717 33.491 31.823 -0.082 0.000 0.997 657 V HN 0.750 nan 8.190 nan 0.000 0.436 658 D N 2.919 123.128 120.400 -0.318 0.000 2.575 658 D HA 0.419 5.060 4.640 0.003 0.000 0.250 658 D C -0.678 175.432 176.300 -0.316 0.000 1.279 658 D CA -0.474 53.394 54.000 -0.219 0.000 0.925 658 D CB 1.421 42.144 40.800 -0.129 0.000 1.261 658 D HN 0.501 nan 8.370 nan 0.000 0.567 659 F N 2.679 122.607 119.950 -0.037 0.000 2.701 659 F HA 0.221 4.750 4.527 0.003 0.000 0.295 659 F C 2.224 178.090 175.800 0.109 0.000 1.165 659 F CA -0.298 57.718 58.000 0.027 0.000 1.399 659 F CB 0.369 39.388 39.000 0.031 0.000 0.996 659 F HN 0.319 nan 8.300 nan 0.000 0.513 660 K N 0.292 120.795 120.400 0.172 0.000 2.127 660 K HA -0.215 4.107 4.320 0.003 0.000 0.208 660 K C 2.238 178.961 176.600 0.205 0.000 1.047 660 K CA 1.424 57.799 56.287 0.147 0.000 0.927 660 K CB -0.321 32.228 32.500 0.082 0.000 0.716 660 K HN 0.294 nan 8.250 nan 0.000 0.450 661 V N 1.425 121.505 119.914 0.277 0.000 2.660 661 V HA -0.209 3.913 4.120 0.003 0.000 0.257 661 V C 1.863 178.232 176.094 0.459 0.000 1.088 661 V CA 1.543 64.041 62.300 0.330 0.000 1.106 661 V CB -0.217 31.823 31.823 0.361 0.000 0.686 661 V HN 0.355 nan 8.190 nan 0.000 0.481 662 L N -0.346 121.150 121.223 0.455 0.000 2.465 662 L HA 0.031 4.372 4.340 0.003 0.000 0.224 662 L C 0.919 177.905 176.870 0.194 0.000 1.145 662 L CA 0.003 55.032 54.840 0.315 0.000 0.834 662 L CB -0.170 42.013 42.059 0.205 0.000 0.944 662 L HN 0.120 nan 8.230 nan 0.000 0.451 663 V N 0.813 120.828 119.914 0.168 0.000 2.694 663 V HA 0.104 4.226 4.120 0.003 0.000 0.306 663 V C 1.414 177.570 176.094 0.103 0.000 1.054 663 V CA 1.252 63.608 62.300 0.092 0.000 1.161 663 V CB 0.375 32.241 31.823 0.071 0.000 0.916 663 V HN 0.627 nan 8.190 nan 0.000 0.490 664 G N 3.400 112.239 108.800 0.066 0.000 2.195 664 G HA2 -0.127 3.835 3.960 0.003 0.000 0.246 664 G HA3 -0.127 3.835 3.960 0.003 0.000 0.246 664 G C 0.484 175.447 174.900 0.104 0.000 0.984 664 G CA 0.156 45.302 45.100 0.077 0.000 0.633 664 G HN 1.649 nan 8.290 nan 0.000 0.525 665 A N 0.239 123.130 122.820 0.118 0.000 2.540 665 A HA 0.508 4.829 4.320 0.003 0.000 0.239 665 A C 0.565 178.220 177.584 0.118 0.000 1.061 665 A CA 1.388 53.498 52.037 0.122 0.000 0.758 665 A CB 0.229 19.256 19.000 0.045 0.000 0.991 665 A HN 0.964 nan 8.150 nan 0.000 0.502 666 K N 2.826 123.294 120.400 0.113 0.000 2.253 666 K HA 0.419 4.740 4.320 0.003 0.000 0.277 666 K C -0.389 176.263 176.600 0.087 0.000 1.053 666 K CA -0.172 56.173 56.287 0.098 0.000 0.892 666 K CB 0.637 33.183 32.500 0.077 0.000 1.102 666 K HN 0.602 nan 8.250 nan 0.000 0.469 667 S N 2.763 118.504 115.700 0.068 0.000 2.632 667 S HA 0.133 4.604 4.470 0.003 0.000 0.271 667 S C -0.839 173.775 174.600 0.023 0.000 1.260 667 S CA -0.641 57.582 58.200 0.039 0.000 1.010 667 S CB 0.327 63.507 63.200 -0.033 0.000 0.965 667 S HN 0.571 nan 8.310 nan 0.000 0.534 668 Y N 1.194 121.445 120.300 -0.081 0.000 2.610 668 Y HA 0.326 4.877 4.550 0.002 0.000 0.332 668 Y C 1.381 177.206 175.900 -0.127 0.000 1.201 668 Y CA 1.624 59.676 58.100 -0.081 0.000 1.465 668 Y CB 0.062 38.473 38.460 -0.082 0.000 1.283 668 Y HN 0.929 nan 8.280 nan 0.000 0.563 669 G N 2.466 111.109 108.800 -0.261 0.000 2.157 669 G HA2 -0.078 3.884 3.960 0.003 0.000 0.248 669 G HA3 -0.078 3.884 3.960 0.003 0.000 0.248 669 G C 0.838 175.654 174.900 -0.140 0.000 0.979 669 G CA 0.551 45.565 45.100 -0.144 0.000 0.650 669 G HN 2.027 nan 8.290 nan 0.000 0.529 670 G N -1.250 107.466 108.800 -0.141 0.000 2.436 670 G HA2 -0.077 3.885 3.960 0.003 0.000 0.204 670 G HA3 -0.077 3.885 3.960 0.003 0.000 0.204 670 G C -1.269 173.595 174.900 -0.059 0.000 1.026 670 G CA 0.310 45.355 45.100 -0.091 0.000 0.658 670 G HN 1.094 nan 8.290 nan 0.000 0.499 671 P HA 0.456 nan 4.420 nan 0.000 0.261 671 P C -0.176 177.223 177.300 0.166 0.000 1.183 671 P CA 0.245 63.313 63.100 -0.052 0.000 0.761 671 P CB 1.334 32.740 31.700 -0.490 0.000 0.785 672 V N 5.080 125.148 119.914 0.256 0.000 2.459 672 V HA 0.236 4.357 4.120 0.003 0.000 0.295 672 V C 0.173 176.385 176.094 0.196 0.000 1.029 672 V CA -0.841 61.586 62.300 0.212 0.000 0.874 672 V CB 1.639 33.531 31.823 0.115 0.000 0.985 672 V HN 0.367 nan 8.190 nan 0.000 0.438 673 L N 4.791 126.058 121.223 0.074 0.000 2.331 673 L HA 0.678 5.019 4.340 0.003 0.000 0.278 673 L C 0.365 177.153 176.870 -0.137 0.000 1.106 673 L CA 0.776 55.476 54.840 -0.234 0.000 0.824 673 L CB 0.797 42.755 42.059 -0.169 0.000 1.142 673 L HN 0.909 nan 8.230 nan 0.000 0.443 674 E N 2.241 122.324 120.200 -0.196 0.000 2.264 674 E HA 0.303 4.655 4.350 0.003 0.000 0.260 674 E C 0.568 177.112 176.600 -0.093 0.000 0.961 674 E CA 0.108 56.453 56.400 -0.092 0.000 0.834 674 E CB 0.576 30.242 29.700 -0.056 0.000 1.230 674 E HN 0.773 nan 8.360 nan 0.000 0.412 675 D N -0.378 119.999 120.400 -0.038 0.000 2.228 675 D HA -0.204 4.437 4.640 0.003 0.000 0.203 675 D C 1.525 177.807 176.300 -0.030 0.000 0.988 675 D CA 1.812 55.800 54.000 -0.020 0.000 0.864 675 D CB -0.563 40.238 40.800 0.003 0.000 0.928 675 D HN 0.660 nan 8.370 nan 0.000 0.469 676 I N -4.618 115.927 120.570 -0.041 0.000 3.883 676 I HA 0.488 4.660 4.170 0.003 0.000 0.326 676 I C 1.364 177.439 176.117 -0.069 0.000 1.283 676 I CA 0.096 61.375 61.300 -0.035 0.000 1.161 676 I CB 0.436 38.428 38.000 -0.013 0.000 1.012 676 I HN 0.197 nan 8.210 nan 0.000 0.421 677 G N 1.007 109.718 108.800 -0.150 0.000 2.785 677 G HA2 -0.171 3.791 3.960 0.003 0.000 0.218 677 G HA3 -0.171 3.791 3.960 0.003 0.000 0.218 677 G C -0.654 174.000 174.900 -0.410 0.000 1.251 677 G CA -0.288 44.648 45.100 -0.275 0.000 1.129 677 G HN 0.274 nan 8.290 nan 0.000 0.573 690 D N 1.729 122.159 120.400 0.050 0.000 2.402 690 D HA 0.438 5.080 4.640 0.003 0.000 0.235 690 D C -0.490 175.874 176.300 0.106 0.000 1.226 690 D CA 0.226 54.249 54.000 0.039 0.000 0.918 690 D CB -0.113 40.701 40.800 0.022 0.000 1.043 690 D HN 0.352 nan 8.370 nan 0.000 0.506 691 I N 3.887 124.470 120.570 0.021 0.000 2.466 691 I HA 0.389 4.561 4.170 0.003 0.000 0.289 691 I C 0.502 176.545 176.117 -0.124 0.000 1.026 691 I CA -0.657 60.619 61.300 -0.040 0.000 1.078 691 I CB 1.525 39.497 38.000 -0.047 0.000 1.249 691 I HN 0.165 nan 8.210 nan 0.000 0.429 692 R N 4.774 125.132 120.500 -0.236 0.000 2.873 692 R HA 0.770 5.111 4.340 0.003 0.000 0.264 692 R C -1.542 174.490 176.300 -0.446 0.000 1.026 692 R CA -0.832 55.159 56.100 -0.182 0.000 1.002 692 R CB 2.342 32.598 30.300 -0.072 0.000 1.174 692 R HN 0.372 nan 8.270 nan 0.000 0.488 693 Y N -0.955 119.348 120.300 0.005 0.000 2.581 693 Y HA 0.532 5.083 4.550 0.002 0.000 0.345 693 Y C -0.166 175.896 175.900 0.271 0.000 1.036 693 Y CA -0.651 57.519 58.100 0.117 0.000 1.042 693 Y CB 2.105 40.672 38.460 0.178 0.000 1.289 693 Y HN 0.547 nan 8.280 nan 0.000 0.471 694 C N 0.709 120.396 119.300 0.645 0.000 3.308 694 C HA 0.999 5.461 4.460 0.003 0.000 0.360 694 C C -0.900 174.451 174.990 0.602 0.000 1.695 694 C CA -0.025 59.287 59.018 0.490 0.000 1.366 694 C CB 1.195 29.069 27.740 0.224 0.000 2.121 694 C HN 1.043 nan 8.230 nan 0.000 0.442 695 A N -0.053 122.988 122.820 0.368 0.000 2.583 695 A HA 0.893 5.214 4.320 0.003 0.000 0.289 695 A C -1.245 176.415 177.584 0.127 0.000 1.151 695 A CA 0.207 52.374 52.037 0.217 0.000 0.695 695 A CB 0.849 20.004 19.000 0.260 0.000 1.290 695 A HN 2.037 nan 8.150 nan 0.000 0.419 696 A N 1.276 124.153 122.820 0.095 0.000 2.978 696 A HA 0.717 5.039 4.320 0.003 0.000 0.341 696 A C -2.969 174.703 177.584 0.146 0.000 1.105 696 A CA -1.390 50.737 52.037 0.150 0.000 0.819 696 A CB -0.059 19.021 19.000 0.133 0.000 1.080 696 A HN 0.391 nan 8.150 nan 0.000 0.476 697 P HA 0.562 nan 4.420 nan 0.000 0.276 697 P C -0.703 176.655 177.300 0.097 0.000 1.244 697 P CA -0.328 62.854 63.100 0.137 0.000 0.801 697 P CB 0.944 32.746 31.700 0.169 0.000 1.006 698 L N 0.826 121.951 121.223 -0.163 0.000 2.334 698 L HA 0.829 5.171 4.340 0.003 0.000 0.273 698 L C 0.151 176.801 176.870 -0.367 0.000 1.013 698 L CA -0.463 54.097 54.840 -0.467 0.000 0.816 698 L CB 1.503 42.801 42.059 -1.269 0.000 1.278 698 L HN 0.377 nan 8.230 nan 0.000 0.431 699 A N 2.121 124.849 122.820 -0.155 0.000 2.486 699 A HA 0.843 5.164 4.320 0.003 0.000 0.300 699 A C -1.850 175.794 177.584 0.100 0.000 1.048 699 A CA -0.430 51.628 52.037 0.035 0.000 0.696 699 A CB 1.580 20.576 19.000 -0.006 0.000 1.278 699 A HN 0.523 nan 8.150 nan 0.000 0.405 700 L N 1.331 122.592 121.223 0.064 0.000 2.346 700 L HA 0.926 5.268 4.340 0.003 0.000 0.274 700 L C -1.509 175.245 176.870 -0.194 0.000 1.007 700 L CA -0.343 54.587 54.840 0.151 0.000 0.818 700 L CB 1.249 43.437 42.059 0.215 0.000 1.284 700 L HN 0.623 nan 8.230 nan 0.000 0.424 701 F N 3.348 123.406 119.950 0.180 0.000 2.603 701 F HA 0.505 5.034 4.527 0.003 0.000 0.317 701 F C -1.192 174.780 175.800 0.286 0.000 1.066 701 F CA -0.561 57.551 58.000 0.188 0.000 0.941 701 F CB 1.808 40.866 39.000 0.097 0.000 1.291 701 F HN 0.356 nan 8.300 nan 0.000 0.472 702 Y N 1.256 121.739 120.300 0.304 0.000 2.406 702 Y HA 0.666 5.217 4.550 0.002 0.000 0.340 702 Y C -1.436 174.576 175.900 0.187 0.000 0.975 702 Y CA -1.459 56.777 58.100 0.228 0.000 1.056 702 Y CB 1.521 40.060 38.460 0.133 0.000 1.210 702 Y HN 0.326 nan 8.280 nan 0.000 0.448 703 V N 7.843 127.594 119.914 -0.271 0.000 2.370 703 V HA 0.120 4.241 4.120 0.003 0.000 0.257 703 V C 0.102 175.601 176.094 -0.992 0.000 1.064 703 V CA -0.531 61.497 62.300 -0.453 0.000 0.975 703 V CB -0.877 30.819 31.823 -0.212 0.000 1.067 703 V HN 0.830 nan 8.190 nan 0.000 0.485 704 N N 5.107 123.340 118.700 -0.779 0.000 2.322 704 N HA 0.241 4.983 4.740 0.003 0.000 0.270 704 N C 1.311 176.566 175.510 -0.425 0.000 1.286 704 N CA 0.140 52.795 53.050 -0.659 0.000 0.948 704 N CB 0.424 38.791 38.487 -0.200 0.000 1.164 704 N HN 0.300 nan 8.380 nan 0.000 0.551 705 K N -0.592 119.667 120.400 -0.235 0.000 2.147 705 K HA 0.039 4.360 4.320 0.003 0.000 0.205 705 K C 2.081 178.548 176.600 -0.222 0.000 1.049 705 K CA 1.810 57.985 56.287 -0.187 0.000 0.936 705 K CB -1.236 31.212 32.500 -0.087 0.000 0.722 705 K HN 0.367 nan 8.250 nan 0.000 0.446 706 L N -0.480 120.561 121.223 -0.303 0.000 2.554 706 L HA 0.309 4.651 4.340 0.003 0.000 0.226 706 L C 2.054 178.680 176.870 -0.407 0.000 1.137 706 L CA 0.755 55.355 54.840 -0.401 0.000 0.863 706 L CB -0.986 40.681 42.059 -0.653 0.000 0.985 706 L HN 0.976 nan 8.230 nan 0.000 0.451 707 G N -1.414 107.187 108.800 -0.331 0.000 2.131 707 G HA2 -0.249 3.712 3.960 0.003 0.000 0.223 707 G HA3 -0.249 3.712 3.960 0.003 0.000 0.223 707 G C -0.021 174.839 174.900 -0.066 0.000 0.990 707 G CA -0.043 44.942 45.100 -0.190 0.000 0.671 707 G HN 0.649 nan 8.290 nan 0.000 0.521 708 H N -0.798 118.173 119.070 -0.165 0.000 2.517 708 H HA 0.489 5.047 4.556 0.003 0.000 0.317 708 H C -0.017 175.227 175.328 -0.141 0.000 1.080 708 H CA -1.085 54.872 56.048 -0.151 0.000 1.301 708 H CB 1.933 31.601 29.762 -0.155 0.000 1.425 708 H HN 0.146 nan 8.280 nan 0.000 0.471 709 L N 4.722 125.951 121.223 0.010 0.000 2.385 709 L HA 0.132 4.473 4.340 0.003 0.000 0.281 709 L C -0.766 176.215 176.870 0.184 0.000 1.106 709 L CA 0.145 55.002 54.840 0.029 0.000 0.856 709 L CB 0.080 42.084 42.059 -0.093 0.000 1.186 709 L HN 0.598 nan 8.230 nan 0.000 0.453 710 M N 7.631 127.388 119.600 0.262 0.000 2.364 710 M HA 0.453 4.934 4.480 0.003 0.000 0.334 710 M C -2.405 174.119 176.300 0.372 0.000 1.107 710 M CA -2.274 53.207 55.300 0.302 0.000 0.988 710 M CB 1.482 34.222 32.600 0.233 0.000 1.673 710 M HN 0.318 nan 8.290 nan 0.000 0.441 711 P HA 0.174 nan 4.420 nan 0.000 0.270 711 P C 0.421 177.767 177.300 0.076 0.000 1.242 711 P CA 0.062 63.205 63.100 0.071 0.000 0.768 711 P CB 0.104 32.025 31.700 0.369 0.000 0.820 712 I N 0.898 121.436 120.570 -0.054 0.000 3.939 712 I HA 0.555 4.727 4.170 0.003 0.000 0.313 712 I C 0.344 176.406 176.117 -0.093 0.000 1.274 712 I CA -0.178 61.080 61.300 -0.071 0.000 1.301 712 I CB 0.502 38.494 38.000 -0.014 0.000 1.105 712 I HN 0.159 nan 8.210 nan 0.000 0.427 713 A N 1.564 124.393 122.820 0.014 0.000 2.540 713 A HA 0.800 5.121 4.320 0.003 0.000 0.297 713 A C -1.244 176.531 177.584 0.318 0.000 1.056 713 A CA -0.354 51.752 52.037 0.115 0.000 0.700 713 A CB 1.273 20.261 19.000 -0.021 0.000 1.280 713 A HN 0.242 nan 8.150 nan 0.000 0.398 714 I N 1.213 122.051 120.570 0.447 0.000 2.533 714 I HA 0.450 4.621 4.170 0.003 0.000 0.290 714 I C -0.282 176.147 176.117 0.518 0.000 1.056 714 I CA -0.370 61.195 61.300 0.441 0.000 1.057 714 I CB 2.341 40.548 38.000 0.345 0.000 1.240 714 I HN 0.779 nan 8.210 nan 0.000 0.423 715 Q N 5.348 125.396 119.800 0.413 0.000 2.333 715 Q HA 0.470 4.812 4.340 0.003 0.000 0.268 715 Q C 0.281 176.409 176.000 0.213 0.000 1.007 715 Q CA -0.503 55.507 55.803 0.346 0.000 0.810 715 Q CB 1.899 30.840 28.738 0.338 0.000 1.264 715 Q HN 0.726 nan 8.270 nan 0.000 0.452 716 I N 2.213 122.933 120.570 0.251 0.000 2.286 716 I HA -0.156 4.015 4.170 0.003 0.000 0.248 716 I C 0.755 176.904 176.117 0.053 0.000 1.115 716 I CA 0.875 62.247 61.300 0.121 0.000 1.392 716 I CB -0.013 37.981 38.000 -0.009 0.000 1.065 716 I HN 0.559 nan 8.210 nan 0.000 0.418 717 N N -0.924 117.802 118.700 0.043 0.000 2.761 717 N HA 0.205 4.947 4.740 0.003 0.000 0.283 717 N C 0.331 175.853 175.510 0.020 0.000 1.377 717 N CA -0.532 52.523 53.050 0.009 0.000 0.791 717 N CB 1.377 39.836 38.487 -0.046 0.000 1.540 717 N HN -0.096 nan 8.380 nan 0.000 0.539 718 Q N 0.408 120.214 119.800 0.011 0.000 2.137 718 Q HA -0.004 4.337 4.340 0.003 0.000 0.198 718 Q C -0.213 175.805 176.000 0.030 0.000 0.960 718 Q CA 1.128 56.942 55.803 0.018 0.000 0.847 718 Q CB -0.019 28.733 28.738 0.023 0.000 0.915 718 Q HN 0.500 nan 8.270 nan 0.000 0.448 719 E N 2.152 122.367 120.200 0.024 0.000 2.089 719 E HA 0.167 4.519 4.350 0.003 0.000 0.284 719 E C -2.376 174.245 176.600 0.036 0.000 1.023 719 E CA -2.545 53.873 56.400 0.029 0.000 0.819 719 E CB 1.050 30.760 29.700 0.016 0.000 1.076 719 E HN -0.036 nan 8.360 nan 0.000 0.396 720 P HA 0.355 nan 4.420 nan 0.000 0.271 720 P C -0.223 177.089 177.300 0.021 0.000 1.233 720 P CA -0.211 62.918 63.100 0.048 0.000 0.789 720 P CB 1.049 32.788 31.700 0.065 0.000 0.951 721 G N 0.208 109.010 108.800 0.003 0.000 2.316 721 G HA2 0.257 4.219 3.960 0.003 0.000 0.296 721 G HA3 0.257 4.219 3.960 0.003 0.000 0.296 721 G C -2.669 172.211 174.900 -0.033 0.000 1.399 721 G CA -0.671 44.423 45.100 -0.009 0.000 0.833 721 G HN 0.242 nan 8.290 nan 0.000 0.565 722 P HA -0.016 nan 4.420 nan 0.000 0.222 722 P C 0.729 178.002 177.300 -0.045 0.000 1.147 722 P CA 1.178 64.248 63.100 -0.049 0.000 0.790 722 P CB 0.347 32.028 31.700 -0.031 0.000 0.780 723 E N -0.686 119.504 120.200 -0.017 0.000 2.465 723 E HA 0.045 4.397 4.350 0.003 0.000 0.191 723 E C 0.280 176.892 176.600 0.020 0.000 1.053 723 E CA 0.019 56.423 56.400 0.007 0.000 0.869 723 E CB -0.231 29.479 29.700 0.017 0.000 0.977 723 E HN 0.149 nan 8.360 nan 0.000 0.483 724 N N 1.169 119.869 118.700 0.000 0.000 2.700 724 N HA 0.099 4.840 4.740 0.003 0.000 0.242 724 N C -2.841 172.652 175.510 -0.029 0.000 1.541 724 N CA -1.576 51.492 53.050 0.031 0.000 0.764 724 N CB 0.805 39.310 38.487 0.031 0.000 1.319 724 N HN -0.134 nan 8.380 nan 0.000 0.518 725 P HA 0.302 nan 4.420 nan 0.000 0.289 725 P C -0.153 176.896 177.300 -0.418 0.000 1.299 725 P CA -0.403 62.472 63.100 -0.375 0.000 0.766 725 P CB 1.562 32.867 31.700 -0.660 0.000 1.226 726 I N -0.194 120.110 120.570 -0.443 0.000 2.342 726 I HA 0.197 4.368 4.170 0.003 0.000 0.291 726 I C -0.176 175.709 176.117 -0.387 0.000 1.010 726 I CA -0.334 60.757 61.300 -0.347 0.000 1.308 726 I CB 0.321 38.000 38.000 -0.536 0.000 1.400 726 I HN 0.245 nan 8.210 nan 0.000 0.488 727 W N 5.110 126.435 121.300 0.042 0.000 2.551 727 W HA 0.591 5.252 4.660 0.002 0.000 0.330 727 W C 0.349 176.920 176.519 0.087 0.000 1.063 727 W CA -0.375 57.047 57.345 0.128 0.000 1.222 727 W CB 1.755 31.378 29.460 0.273 0.000 1.349 727 W HN 0.413 nan 8.180 nan 0.000 0.536 728 T N -1.390 113.215 114.554 0.084 0.000 2.838 728 T HA 0.429 4.781 4.350 0.003 0.000 0.292 728 T C -2.232 171.685 174.700 -1.305 0.000 1.113 728 T CA -2.181 59.614 62.100 -0.509 0.000 1.008 728 T CB 2.115 70.820 68.868 -0.272 0.000 1.259 728 T HN 0.110 nan 8.240 nan 0.000 0.520 729 P HA 0.011 nan 4.420 nan 0.000 0.228 729 P C 0.409 177.011 177.300 -1.163 0.000 1.151 729 P CA 1.077 62.894 63.100 -2.140 0.000 0.770 729 P CB -0.395 30.444 31.700 -1.435 0.000 0.786 730 H N -1.221 117.561 119.070 -0.480 0.000 2.537 730 H HA 0.173 4.731 4.556 0.003 0.000 0.295 730 H C 0.582 175.829 175.328 -0.136 0.000 1.054 730 H CA -0.435 55.472 56.048 -0.235 0.000 1.156 730 H CB -0.270 29.384 29.762 -0.180 0.000 1.468 730 H HN 0.009 nan 8.280 nan 0.000 0.551 731 E N 1.013 121.175 120.200 -0.064 0.000 2.467 731 E HA -0.068 4.284 4.350 0.003 0.000 0.264 731 E C 1.368 178.005 176.600 0.063 0.000 1.020 731 E CA 0.729 57.171 56.400 0.069 0.000 0.945 731 E CB 0.631 30.448 29.700 0.195 0.000 0.942 731 E HN 0.763 nan 8.360 nan 0.000 0.449 732 E N 2.723 122.970 120.200 0.078 0.000 2.158 732 E HA -0.140 4.211 4.350 0.003 0.000 0.191 732 E C 0.828 177.467 176.600 0.066 0.000 0.982 732 E CA 0.849 57.284 56.400 0.058 0.000 0.823 732 E CB -0.125 29.607 29.700 0.053 0.000 0.766 732 E HN 0.335 nan 8.360 nan 0.000 0.468 733 N N 0.629 119.392 118.700 0.106 0.000 2.500 733 N HA 0.282 5.024 4.740 0.003 0.000 0.236 733 N C 0.906 176.470 175.510 0.090 0.000 1.022 733 N CA 0.851 53.966 53.050 0.108 0.000 0.935 733 N CB 0.968 39.557 38.487 0.171 0.000 1.147 733 N HN 0.322 nan 8.380 nan 0.000 0.512 734 E N 2.734 122.919 120.200 -0.025 0.000 2.171 734 E HA -0.239 4.113 4.350 0.003 0.000 0.197 734 E C 1.119 177.724 176.600 0.008 0.000 0.997 734 E CA 1.616 57.993 56.400 -0.038 0.000 0.810 734 E CB -0.971 28.647 29.700 -0.137 0.000 0.738 734 E HN 0.738 nan 8.360 nan 0.000 0.467 735 H N 0.391 119.550 119.070 0.148 0.000 2.457 735 H HA -0.041 4.517 4.556 0.004 0.000 0.294 735 H C 1.588 176.973 175.328 0.095 0.000 1.064 735 H CA 1.332 57.464 56.048 0.140 0.000 1.330 735 H CB -0.050 29.799 29.762 0.145 0.000 1.395 735 H HN 0.441 nan 8.280 nan 0.000 0.541 736 D N 0.184 120.713 120.400 0.215 0.000 2.144 736 D HA -0.165 4.476 4.640 0.003 0.000 0.200 736 D C 2.138 178.456 176.300 0.030 0.000 0.978 736 D CA 0.541 54.606 54.000 0.108 0.000 0.833 736 D CB -0.417 40.586 40.800 0.338 0.000 0.961 736 D HN 0.517 nan 8.370 nan 0.000 0.470 737 W N 0.556 121.828 121.300 -0.047 0.000 2.418 737 W HA -0.153 4.508 4.660 0.002 0.000 0.292 737 W C 1.931 178.304 176.519 -0.244 0.000 1.213 737 W CA 0.343 57.622 57.345 -0.110 0.000 1.283 737 W CB -0.107 29.297 29.460 -0.092 0.000 1.119 737 W HN -0.081 nan 8.180 nan 0.000 0.542 738 M N 1.261 120.681 119.600 -0.301 0.000 2.067 738 M HA -0.235 4.247 4.480 0.003 0.000 0.260 738 M C 2.348 178.241 176.300 -0.677 0.000 1.069 738 M CA 2.206 57.151 55.300 -0.593 0.000 1.117 738 M CB -1.060 31.411 32.600 -0.216 0.000 1.334 738 M HN 0.025 nan 8.290 nan 0.000 0.407 739 M N 0.128 119.591 119.600 -0.228 0.000 2.106 739 M HA -0.121 4.361 4.480 0.003 0.000 0.259 739 M C 2.026 178.258 176.300 -0.114 0.000 1.068 739 M CA 2.265 57.548 55.300 -0.030 0.000 1.100 739 M CB -0.910 31.723 32.600 0.056 0.000 1.351 739 M HN 0.364 nan 8.290 nan 0.000 0.404 740 A N -0.314 122.283 122.820 -0.372 0.000 1.908 740 A HA -0.223 4.098 4.320 0.003 0.000 0.218 740 A C 2.184 179.579 177.584 -0.316 0.000 1.181 740 A CA 2.104 53.916 52.037 -0.376 0.000 0.627 740 A CB -0.710 18.024 19.000 -0.444 0.000 0.818 740 A HN 0.606 nan 8.150 nan 0.000 0.445 741 K N -1.122 118.852 120.400 -0.710 0.000 2.097 741 K HA -0.106 4.216 4.320 0.003 0.000 0.206 741 K C 1.704 178.179 176.600 -0.208 0.000 1.049 741 K CA 1.624 57.479 56.287 -0.719 0.000 0.933 741 K CB -0.402 31.237 32.500 -1.435 0.000 0.717 741 K HN 0.619 nan 8.250 nan 0.000 0.442 742 F N -0.654 119.188 119.950 -0.181 0.000 2.134 742 F HA -0.225 4.304 4.527 0.002 0.000 0.299 742 F C 2.080 177.720 175.800 -0.266 0.000 1.097 742 F CA 0.531 58.407 58.000 -0.207 0.000 1.264 742 F CB -0.348 38.469 39.000 -0.306 0.000 1.001 742 F HN 0.137 nan 8.300 nan 0.000 0.479 743 W N -0.020 121.335 121.300 0.093 0.000 2.358 743 W HA -0.197 4.464 4.660 0.001 0.000 0.303 743 W C 2.318 178.852 176.519 0.025 0.000 1.208 743 W CA 0.543 57.913 57.345 0.040 0.000 1.274 743 W CB -0.741 28.712 29.460 -0.010 0.000 1.138 743 W HN -0.014 nan 8.180 nan 0.000 0.515 744 L N 0.889 122.258 121.223 0.243 0.000 2.017 744 L HA 0.015 4.357 4.340 0.003 0.000 0.208 744 L C 2.392 179.330 176.870 0.114 0.000 1.073 744 L CA 2.539 57.498 54.840 0.197 0.000 0.745 744 L CB -1.496 40.771 42.059 0.347 0.000 0.894 744 L HN 0.028 nan 8.230 nan 0.000 0.432 745 G N -0.891 108.027 108.800 0.197 0.000 2.529 745 G HA2 -0.323 3.638 3.960 0.003 0.000 0.219 745 G HA3 -0.323 3.638 3.960 0.003 0.000 0.219 745 G C 1.706 176.621 174.900 0.025 0.000 1.177 745 G CA 1.264 46.436 45.100 0.119 0.000 0.773 745 G HN 0.359 nan 8.290 nan 0.000 0.573 746 V N 1.227 121.129 119.914 -0.018 0.000 2.407 746 V HA -0.023 4.098 4.120 0.003 0.000 0.248 746 V C 3.207 179.276 176.094 -0.042 0.000 1.055 746 V CA 2.398 64.671 62.300 -0.045 0.000 1.049 746 V CB -0.630 31.116 31.823 -0.127 0.000 0.662 746 V HN 0.494 nan 8.190 nan 0.000 0.455 747 A N -0.741 122.013 122.820 -0.111 0.000 1.858 747 A HA -0.281 4.040 4.320 0.003 0.000 0.216 747 A C 2.270 179.601 177.584 -0.422 0.000 1.190 747 A CA 2.045 53.895 52.037 -0.312 0.000 0.617 747 A CB -0.729 17.919 19.000 -0.588 0.000 0.827 747 A HN 0.667 nan 8.150 nan 0.000 0.443 748 E N -0.073 119.840 120.200 -0.478 0.000 2.085 748 E HA -0.163 4.188 4.350 0.003 0.000 0.194 748 E C 2.185 178.906 176.600 0.202 0.000 0.994 748 E CA 1.437 57.756 56.400 -0.136 0.000 0.801 748 E CB -0.096 29.606 29.700 0.003 0.000 0.743 748 E HN 0.565 nan 8.360 nan 0.000 0.453 749 S N 0.842 116.652 115.700 0.183 0.000 2.356 749 S HA -0.153 4.319 4.470 0.003 0.000 0.223 749 S C 1.673 176.434 174.600 0.268 0.000 1.032 749 S CA 1.576 59.979 58.200 0.339 0.000 1.005 749 S CB -0.372 63.001 63.200 0.287 0.000 0.867 749 S HN 0.330 nan 8.310 nan 0.000 0.449 750 N N 0.705 119.485 118.700 0.135 0.000 2.142 750 N HA 0.039 4.781 4.740 0.003 0.000 0.186 750 N C 1.445 177.052 175.510 0.161 0.000 1.023 750 N CA 0.909 53.993 53.050 0.056 0.000 0.852 750 N CB -0.349 38.085 38.487 -0.088 0.000 0.998 750 N HN 0.395 nan 8.380 nan 0.000 0.424 751 F N 1.123 121.149 119.950 0.126 0.000 2.134 751 F HA -0.225 4.303 4.527 0.002 0.000 0.299 751 F C 2.637 178.634 175.800 0.329 0.000 1.097 751 F CA 1.536 59.759 58.000 0.372 0.000 1.264 751 F CB -0.234 39.112 39.000 0.577 0.000 1.001 751 F HN 0.242 nan 8.300 nan 0.000 0.479 752 H N 0.272 119.656 119.070 0.522 0.000 2.299 752 H HA -0.155 4.402 4.556 0.002 0.000 0.302 752 H C 1.983 177.431 175.328 0.200 0.000 1.078 752 H CA 2.143 58.392 56.048 0.335 0.000 1.323 752 H CB -0.395 29.494 29.762 0.212 0.000 1.381 752 H HN 0.417 nan 8.280 nan 0.000 0.498 753 Q N 0.123 119.879 119.800 -0.074 0.000 2.084 753 Q HA -0.089 4.253 4.340 0.003 0.000 0.202 753 Q C 2.717 178.652 176.000 -0.109 0.000 0.978 753 Q CA 1.536 57.252 55.803 -0.145 0.000 0.844 753 Q CB 0.238 28.974 28.738 -0.004 0.000 0.898 753 Q HN 0.477 nan 8.270 nan 0.000 0.426 754 L N -0.427 120.791 121.223 -0.010 0.000 2.221 754 L HA -0.005 4.337 4.340 0.003 0.000 0.202 754 L C 2.042 178.854 176.870 -0.096 0.000 1.074 754 L CA 0.547 55.392 54.840 0.008 0.000 0.795 754 L CB -0.119 42.092 42.059 0.252 0.000 0.960 754 L HN 0.210 nan 8.230 nan 0.000 0.458 755 N N -0.490 118.137 118.700 -0.121 0.000 2.413 755 N HA -0.087 4.655 4.740 0.003 0.000 0.193 755 N C 1.709 177.053 175.510 -0.276 0.000 1.043 755 N CA 1.715 54.566 53.050 -0.331 0.000 0.910 755 N CB -0.121 37.955 38.487 -0.685 0.000 1.111 755 N HN -0.091 nan 8.380 nan 0.000 0.452 756 T N -0.277 114.140 114.554 -0.229 0.000 2.746 756 T HA -0.123 4.228 4.350 0.003 0.000 0.267 756 T C 1.515 176.204 174.700 -0.018 0.000 1.039 756 T CA 1.380 63.443 62.100 -0.063 0.000 1.142 756 T CB -0.389 68.559 68.868 0.133 0.000 0.866 756 T HN 0.413 nan 8.240 nan 0.000 0.444 757 H N 0.147 119.084 119.070 -0.222 0.000 2.283 757 H HA 0.210 4.768 4.556 0.002 0.000 0.320 757 H C 2.268 177.551 175.328 -0.075 0.000 1.074 757 H CA 0.398 56.358 56.048 -0.147 0.000 1.476 757 H CB -0.201 29.372 29.762 -0.315 0.000 1.465 757 H HN 0.160 nan 8.280 nan 0.000 0.573 758 L N 0.499 121.419 121.223 -0.504 0.000 1.994 758 L HA -0.189 4.153 4.340 0.003 0.000 0.208 758 L C 2.862 179.467 176.870 -0.443 0.000 1.071 758 L CA 0.914 55.319 54.840 -0.726 0.000 0.745 758 L CB -0.347 41.210 42.059 -0.837 0.000 0.892 758 L HN 0.289 nan 8.230 nan 0.000 0.431 759 L N -0.065 120.959 121.223 -0.333 0.000 2.005 759 L HA -0.143 4.199 4.340 0.003 0.000 0.207 759 L C 2.456 179.237 176.870 -0.147 0.000 1.072 759 L CA 1.770 56.452 54.840 -0.263 0.000 0.744 759 L CB -0.346 41.560 42.059 -0.253 0.000 0.895 759 L HN 0.058 nan 8.230 nan 0.000 0.433 760 R N -1.373 119.066 120.500 -0.102 0.000 2.310 760 R HA 0.064 4.406 4.340 0.003 0.000 0.202 760 R C 1.291 177.661 176.300 0.116 0.000 0.933 760 R CA 0.845 56.940 56.100 -0.009 0.000 1.054 760 R CB -0.182 30.037 30.300 -0.136 0.000 0.985 760 R HN 0.647 nan 8.270 nan 0.000 0.489 761 T N -3.483 111.132 114.554 0.102 0.000 3.479 761 T HA 0.063 4.414 4.350 0.003 0.000 0.197 761 T C 1.605 176.360 174.700 0.090 0.000 0.912 761 T CA -0.250 61.943 62.100 0.154 0.000 1.281 761 T CB -0.360 68.667 68.868 0.266 0.000 1.588 761 T HN 0.022 nan 8.240 nan 0.000 0.389 762 H N 1.758 120.796 119.070 -0.054 0.000 2.261 762 H HA -0.065 4.493 4.556 0.003 0.000 0.290 762 H C 2.345 177.659 175.328 -0.024 0.000 1.081 762 H CA 2.397 58.405 56.048 -0.065 0.000 1.196 762 H CB -0.484 29.124 29.762 -0.256 0.000 1.350 762 H HN 0.278 nan 8.280 nan 0.000 0.498 763 L N 0.423 121.653 121.223 0.012 0.000 2.109 763 L HA -0.104 4.238 4.340 0.003 0.000 0.207 763 L C 2.911 179.783 176.870 0.004 0.000 1.086 763 L CA 1.504 56.323 54.840 -0.035 0.000 0.760 763 L CB -0.611 41.329 42.059 -0.198 0.000 0.910 763 L HN 0.419 nan 8.230 nan 0.000 0.437 764 T N -3.911 110.643 114.554 -0.001 0.000 2.896 764 T HA -0.132 4.220 4.350 0.003 0.000 0.263 764 T C 1.851 176.874 174.700 0.538 0.000 1.050 764 T CA 1.380 63.544 62.100 0.107 0.000 1.140 764 T CB -0.768 68.008 68.868 -0.152 0.000 0.877 764 T HN 0.419 nan 8.240 nan 0.000 0.457 765 T N -0.254 114.504 114.554 0.340 0.000 3.055 765 T HA 0.097 4.449 4.350 0.003 0.000 0.265 765 T C 1.770 176.730 174.700 0.434 0.000 1.111 765 T CA 0.921 63.176 62.100 0.260 0.000 1.118 765 T CB -0.365 68.302 68.868 -0.336 0.000 0.909 765 T HN 0.572 nan 8.240 nan 0.000 0.501 766 E N 1.373 121.798 120.200 0.374 0.000 2.118 766 E HA -0.155 4.196 4.350 0.003 0.000 0.195 766 E C 2.074 178.867 176.600 0.323 0.000 0.992 766 E CA 1.329 57.928 56.400 0.332 0.000 0.804 766 E CB -0.241 29.597 29.700 0.229 0.000 0.741 766 E HN 0.581 nan 8.360 nan 0.000 0.458 767 S N -0.167 115.764 115.700 0.386 0.000 2.368 767 S HA -0.108 4.364 4.470 0.003 0.000 0.224 767 S C 1.503 176.204 174.600 0.168 0.000 1.029 767 S CA 0.988 59.409 58.200 0.369 0.000 0.988 767 S CB -0.307 63.131 63.200 0.396 0.000 0.838 767 S HN 0.290 nan 8.310 nan 0.000 0.462 768 F N 1.859 121.886 119.950 0.129 0.000 2.206 768 F HA 0.025 4.553 4.527 0.002 0.000 0.298 768 F C 2.528 178.472 175.800 0.240 0.000 1.090 768 F CA 0.674 58.693 58.000 0.032 0.000 1.323 768 F CB -0.651 38.367 39.000 0.030 0.000 1.028 768 F HN 0.163 nan 8.300 nan 0.000 0.492 769 A N -0.011 123.138 122.820 0.548 0.000 1.883 769 A HA -0.201 4.120 4.320 0.003 0.000 0.217 769 A C 2.103 179.850 177.584 0.272 0.000 1.186 769 A CA 1.718 54.006 52.037 0.419 0.000 0.624 769 A CB -1.124 18.102 19.000 0.378 0.000 0.822 769 A HN 0.349 nan 8.150 nan 0.000 0.444 770 L N -0.330 120.969 121.223 0.125 0.000 2.046 770 L HA -0.098 4.244 4.340 0.003 0.000 0.208 770 L C 2.597 179.395 176.870 -0.121 0.000 1.077 770 L CA 2.510 57.297 54.840 -0.088 0.000 0.747 770 L CB -0.649 41.152 42.059 -0.430 0.000 0.896 770 L HN 0.336 nan 8.230 nan 0.000 0.432 771 S N -1.683 113.965 115.700 -0.086 0.000 2.399 771 S HA -0.192 4.280 4.470 0.003 0.000 0.231 771 S C 1.875 176.639 174.600 0.273 0.000 1.022 771 S CA 1.691 59.891 58.200 -0.000 0.000 0.983 771 S CB -0.423 62.643 63.200 -0.224 0.000 0.803 771 S HN 0.683 nan 8.310 nan 0.000 0.480 772 T N 0.321 115.111 114.554 0.394 0.000 2.684 772 T HA -0.146 4.205 4.350 0.003 0.000 0.267 772 T C 1.210 175.921 174.700 0.018 0.000 1.036 772 T CA 1.693 63.976 62.100 0.305 0.000 1.148 772 T CB -0.518 68.408 68.868 0.097 0.000 0.863 772 T HN 0.639 nan 8.240 nan 0.000 0.436 773 W N 1.475 122.741 121.300 -0.057 0.000 2.388 773 W HA 0.033 4.695 4.660 0.003 0.000 0.294 773 W C 2.712 179.090 176.519 -0.235 0.000 1.212 773 W CA 0.425 57.567 57.345 -0.338 0.000 1.271 773 W CB -0.169 28.598 29.460 -1.155 0.000 1.126 773 W HN 0.114 nan 8.180 nan 0.000 0.535 774 R N -0.272 120.264 120.500 0.059 0.000 2.115 774 R HA -0.074 4.267 4.340 0.003 0.000 0.230 774 R C 1.401 177.781 176.300 0.133 0.000 1.111 774 R CA 1.319 57.482 56.100 0.104 0.000 0.976 774 R CB -0.306 30.024 30.300 0.050 0.000 0.870 774 R HN 0.230 nan 8.270 nan 0.000 0.445 775 N N -0.712 118.082 118.700 0.156 0.000 2.239 775 N HA 0.115 4.856 4.740 0.003 0.000 0.208 775 N C -0.266 175.296 175.510 0.087 0.000 1.200 775 N CA 0.160 53.312 53.050 0.170 0.000 0.895 775 N CB 1.146 39.799 38.487 0.277 0.000 1.085 775 N HN 0.041 nan 8.380 nan 0.000 0.500 776 L N 1.703 122.939 121.223 0.021 0.000 2.272 776 L HA 0.540 4.881 4.340 0.003 0.000 0.289 776 L C 0.341 177.098 176.870 -0.187 0.000 1.032 776 L CA -0.716 54.047 54.840 -0.128 0.000 0.810 776 L CB 1.519 43.438 42.059 -0.232 0.000 1.205 776 L HN -0.077 nan 8.230 nan 0.000 0.422 777 A N 2.144 124.873 122.820 -0.152 0.000 2.466 777 A HA 0.210 4.532 4.320 0.003 0.000 0.238 777 A C 1.336 178.592 177.584 -0.546 0.000 1.074 777 A CA 0.246 52.139 52.037 -0.240 0.000 0.774 777 A CB 0.431 19.396 19.000 -0.059 0.000 1.015 777 A HN 0.906 nan 8.150 nan 0.000 0.498 778 S N 1.208 116.460 115.700 -0.747 0.000 2.419 778 S HA -0.076 4.395 4.470 0.003 0.000 0.233 778 S C 1.656 175.999 174.600 -0.430 0.000 1.016 778 S CA 1.195 58.771 58.200 -1.040 0.000 0.974 778 S CB -0.506 62.265 63.200 -0.714 0.000 0.786 778 S HN 1.359 nan 8.310 nan 0.000 0.492 779 A N 0.747 123.445 122.820 -0.203 0.000 2.209 779 A HA 0.120 4.441 4.320 0.003 0.000 0.212 779 A C 0.889 178.376 177.584 -0.162 0.000 1.158 779 A CA 0.328 52.316 52.037 -0.082 0.000 0.742 779 A CB -0.842 18.224 19.000 0.110 0.000 0.790 779 A HN 0.719 nan 8.150 nan 0.000 0.472 780 H N 0.179 119.100 119.070 -0.249 0.000 2.683 780 H HA 0.213 4.770 4.556 0.003 0.000 0.339 780 H C -1.441 173.660 175.328 -0.379 0.000 1.081 780 H CA -1.327 54.555 56.048 -0.277 0.000 1.432 780 H CB 1.232 30.871 29.762 -0.204 0.000 1.462 780 H HN 0.013 nan 8.280 nan 0.000 0.557 781 P HA -0.193 nan 4.420 nan 0.000 0.218 781 P C 1.107 178.257 177.300 -0.250 0.000 1.149 781 P CA 1.067 63.764 63.100 -0.672 0.000 0.817 781 P CB 0.384 31.254 31.700 -1.384 0.000 0.785 782 I N -1.801 118.832 120.570 0.105 0.000 2.617 782 I HA -0.099 4.073 4.170 0.003 0.000 0.256 782 I C 2.336 178.294 176.117 -0.266 0.000 1.167 782 I CA 0.567 61.809 61.300 -0.096 0.000 1.469 782 I CB -1.588 36.288 38.000 -0.208 0.000 1.098 782 I HN -0.131 nan 8.210 nan 0.000 0.436 783 F N 2.702 122.432 119.950 -0.367 0.000 2.095 783 F HA -0.254 4.275 4.527 0.003 0.000 0.298 783 F C 2.489 178.010 175.800 -0.464 0.000 1.104 783 F CA 1.941 59.678 58.000 -0.439 0.000 1.232 783 F CB -0.115 38.638 39.000 -0.412 0.000 0.987 783 F HN -0.070 nan 8.300 nan 0.000 0.475 784 K N -0.052 120.084 120.400 -0.439 0.000 2.057 784 K HA -0.177 4.145 4.320 0.003 0.000 0.207 784 K C 1.978 178.158 176.600 -0.700 0.000 1.049 784 K CA 1.563 57.358 56.287 -0.820 0.000 0.931 784 K CB -0.627 30.939 32.500 -1.556 0.000 0.714 784 K HN 0.308 nan 8.250 nan 0.000 0.440 785 L N 1.378 122.409 121.223 -0.320 0.000 2.012 785 L HA -0.174 4.168 4.340 0.003 0.000 0.210 785 L C 1.898 178.746 176.870 -0.036 0.000 1.073 785 L CA 1.636 56.524 54.840 0.080 0.000 0.748 785 L CB -0.182 41.942 42.059 0.107 0.000 0.891 785 L HN 0.119 nan 8.230 nan 0.000 0.431 786 L N -1.193 119.910 121.223 -0.200 0.000 2.270 786 L HA -0.101 4.240 4.340 0.003 0.000 0.210 786 L C 2.539 179.240 176.870 -0.282 0.000 1.104 786 L CA 0.839 55.592 54.840 -0.145 0.000 0.804 786 L CB -0.481 41.466 42.059 -0.186 0.000 0.937 786 L HN 0.461 nan 8.230 nan 0.000 0.450 787 Q N 1.040 120.515 119.800 -0.541 0.000 2.062 787 Q HA -0.221 4.120 4.340 0.003 0.000 0.209 787 Q C -0.677 175.167 176.000 -0.259 0.000 0.996 787 Q CA 2.428 57.912 55.803 -0.532 0.000 0.859 787 Q CB -0.699 27.639 28.738 -0.666 0.000 0.920 787 Q HN 0.309 nan 8.270 nan 0.000 0.415 788 P HA -0.136 nan 4.420 nan 0.000 0.229 788 P C 0.380 177.517 177.300 -0.273 0.000 1.160 788 P CA 1.269 64.220 63.100 -0.247 0.000 0.777 788 P CB -0.055 31.489 31.700 -0.260 0.000 0.814 789 H N -0.103 118.945 119.070 -0.035 0.000 2.497 789 H HA 0.139 4.696 4.556 0.003 0.000 0.282 789 H C 2.058 177.007 175.328 -0.632 0.000 1.003 789 H CA 0.813 56.783 56.048 -0.129 0.000 1.307 789 H CB -0.033 29.761 29.762 0.054 0.000 1.437 789 H HN 0.277 nan 8.280 nan 0.000 0.544 790 I N -2.019 118.272 120.570 -0.465 0.000 3.419 790 I HA 0.023 4.194 4.170 0.003 0.000 0.286 790 I C 0.820 176.814 176.117 -0.206 0.000 1.268 790 I CA -0.263 60.663 61.300 -0.624 0.000 1.414 790 I CB -0.467 37.399 38.000 -0.224 0.000 1.074 790 I HN -0.152 nan 8.210 nan 0.000 0.457 791 Y N 3.722 123.942 120.300 -0.134 0.000 2.805 791 Y HA 0.300 4.851 4.550 0.003 0.000 0.331 791 Y C 1.301 177.233 175.900 0.052 0.000 1.241 791 Y CA 1.256 59.371 58.100 0.025 0.000 1.546 791 Y CB 0.358 38.842 38.460 0.039 0.000 1.248 791 Y HN 0.440 nan 8.280 nan 0.000 0.559 792 G N 3.363 111.748 108.800 -0.692 0.000 2.313 792 G HA2 -0.346 3.615 3.960 0.003 0.000 0.215 792 G HA3 -0.346 3.615 3.960 0.003 0.000 0.215 792 G C 0.751 175.566 174.900 -0.142 0.000 1.023 792 G CA 0.276 45.052 45.100 -0.541 0.000 0.626 792 G HN 0.981 nan 8.290 nan 0.000 0.503 793 V N 1.805 121.677 119.914 -0.070 0.000 2.427 793 V HA 0.092 4.213 4.120 0.003 0.000 0.248 793 V C 2.745 178.875 176.094 0.060 0.000 1.051 793 V CA 2.708 65.040 62.300 0.054 0.000 1.048 793 V CB -0.260 31.671 31.823 0.180 0.000 0.666 793 V HN 0.499 nan 8.190 nan 0.000 0.456 794 L N 0.003 121.232 121.223 0.009 0.000 2.056 794 L HA -0.057 4.284 4.340 0.003 0.000 0.207 794 L C 2.783 179.581 176.870 -0.119 0.000 1.078 794 L CA 1.563 56.390 54.840 -0.021 0.000 0.749 794 L CB -0.910 41.133 42.059 -0.026 0.000 0.901 794 L HN 0.402 nan 8.230 nan 0.000 0.433 795 A N 0.225 122.915 122.820 -0.217 0.000 1.858 795 A HA -0.232 4.089 4.320 0.003 0.000 0.216 795 A C 2.214 179.493 177.584 -0.509 0.000 1.190 795 A CA 1.844 53.644 52.037 -0.394 0.000 0.617 795 A CB -0.687 17.948 19.000 -0.608 0.000 0.827 795 A HN 0.307 nan 8.150 nan 0.000 0.443 796 I N 0.127 120.454 120.570 -0.404 0.000 2.394 796 I HA -0.156 4.016 4.170 0.003 0.000 0.251 796 I C 1.132 177.217 176.117 -0.054 0.000 1.136 796 I CA 1.705 62.863 61.300 -0.237 0.000 1.425 796 I CB -0.333 37.778 38.000 0.186 0.000 1.079 796 I HN 0.238 nan 8.210 nan 0.000 0.425 797 D N -0.442 120.015 120.400 0.095 0.000 2.194 797 D HA -0.093 4.548 4.640 0.003 0.000 0.204 797 D C 2.177 178.466 176.300 -0.020 0.000 0.964 797 D CA 1.396 55.548 54.000 0.253 0.000 0.846 797 D CB -0.262 40.736 40.800 0.330 0.000 0.962 797 D HN 0.290 nan 8.370 nan 0.000 0.490 798 T N 0.782 115.271 114.554 -0.110 0.000 2.777 798 T HA -0.020 4.331 4.350 0.003 0.000 0.266 798 T C 2.176 176.733 174.700 -0.238 0.000 1.040 798 T CA 0.504 62.512 62.100 -0.154 0.000 1.141 798 T CB -0.088 68.688 68.868 -0.154 0.000 0.868 798 T HN 0.135 nan 8.240 nan 0.000 0.444 799 I N 1.149 121.532 120.570 -0.311 0.000 2.179 799 I HA -0.083 4.088 4.170 0.003 0.000 0.242 799 I C 2.911 178.729 176.117 -0.497 0.000 1.088 799 I CA 1.274 62.349 61.300 -0.376 0.000 1.357 799 I CB -0.728 36.948 38.000 -0.539 0.000 1.051 799 I HN 0.296 nan 8.210 nan 0.000 0.409 800 G N 0.604 108.955 108.800 -0.748 0.000 2.442 800 G HA2 -0.238 3.724 3.960 0.003 0.000 0.219 800 G HA3 -0.238 3.724 3.960 0.003 0.000 0.219 800 G C 1.813 175.722 174.900 -1.650 0.000 1.141 800 G CA 0.477 44.601 45.100 -1.626 0.000 0.763 800 G HN 0.290 nan 8.290 nan 0.000 0.554 801 R N 0.087 119.993 120.500 -0.990 0.000 2.120 801 R HA 0.005 4.346 4.340 0.003 0.000 0.234 801 R C 2.457 178.534 176.300 -0.371 0.000 1.123 801 R CA 1.178 56.946 56.100 -0.555 0.000 0.975 801 R CB -0.079 30.110 30.300 -0.186 0.000 0.866 801 R HN 0.284 nan 8.270 nan 0.000 0.446 802 K N -0.230 119.972 120.400 -0.331 0.000 2.211 802 K HA -0.019 4.303 4.320 0.003 0.000 0.201 802 K C 1.166 177.657 176.600 -0.181 0.000 1.052 802 K CA 0.879 57.046 56.287 -0.199 0.000 0.973 802 K CB 0.450 32.861 32.500 -0.147 0.000 0.766 802 K HN 0.252 nan 8.250 nan 0.000 0.466 803 E N -0.572 119.481 120.200 -0.244 0.000 2.536 803 E HA 0.166 4.518 4.350 0.003 0.000 0.220 803 E C 1.395 177.917 176.600 -0.129 0.000 0.876 803 E CA 0.012 56.333 56.400 -0.131 0.000 1.190 803 E CB 0.786 30.466 29.700 -0.032 0.000 1.191 803 E HN 0.047 nan 8.360 nan 0.000 0.557 804 L N -1.056 120.000 121.223 -0.278 0.000 2.738 804 L HA 0.186 4.527 4.340 0.003 0.000 0.175 804 L C 1.395 178.266 176.870 0.002 0.000 1.125 804 L CA 0.166 54.921 54.840 -0.141 0.000 0.857 804 L CB 0.044 41.990 42.059 -0.189 0.000 1.300 804 L HN 0.214 nan 8.230 nan 0.000 0.499 805 W N 0.318 121.620 121.300 0.004 0.000 3.008 805 W HA 0.587 5.248 4.660 0.002 0.000 0.355 805 W C 0.661 177.268 176.519 0.147 0.000 1.095 805 W CA -0.431 56.942 57.345 0.048 0.000 1.738 805 W CB -0.975 28.512 29.460 0.045 0.000 1.091 805 W HN -0.083 nan 8.180 nan 0.000 0.574 806 G N 0.906 109.676 108.800 -0.051 0.000 2.588 806 G HA2 0.245 4.206 3.960 0.003 0.000 0.278 806 G HA3 0.245 4.206 3.960 0.003 0.000 0.278 806 G C -0.226 174.723 174.900 0.082 0.000 1.307 806 G CA -0.599 44.516 45.100 0.025 0.000 1.016 806 G HN 0.031 nan 8.290 nan 0.000 0.503 807 S N -0.686 115.053 115.700 0.065 0.000 2.481 807 S HA 0.406 4.878 4.470 0.003 0.000 0.282 807 S C 1.406 176.036 174.600 0.050 0.000 1.243 807 S CA 1.072 59.323 58.200 0.084 0.000 1.078 807 S CB -0.272 62.964 63.200 0.061 0.000 0.916 807 S HN 2.029 nan 8.310 nan 0.000 0.495 808 G N 3.536 112.371 108.800 0.059 0.000 2.162 808 G HA2 -0.199 3.762 3.960 0.003 0.000 0.260 808 G HA3 -0.199 3.762 3.960 0.003 0.000 0.260 808 G C 0.507 175.409 174.900 0.003 0.000 0.976 808 G CA 0.029 45.149 45.100 0.034 0.000 0.655 808 G HN 1.141 nan 8.290 nan 0.000 0.533 809 G N -0.122 108.675 108.800 -0.004 0.000 2.651 809 G HA2 0.540 4.502 3.960 0.003 0.000 0.260 809 G HA3 0.540 4.502 3.960 0.003 0.000 0.260 809 G C 1.510 176.398 174.900 -0.020 0.000 1.216 809 G CA -0.109 44.980 45.100 -0.018 0.000 0.913 809 G HN 1.054 nan 8.290 nan 0.000 0.535 810 I N -1.482 119.084 120.570 -0.007 0.000 2.264 810 I HA -0.155 4.017 4.170 0.003 0.000 0.248 810 I C 2.187 178.283 176.117 -0.036 0.000 1.111 810 I CA 0.939 62.230 61.300 -0.016 0.000 1.382 810 I CB -0.760 37.246 38.000 0.010 0.000 1.060 810 I HN 0.199 nan 8.210 nan 0.000 0.418 811 V N 1.786 121.698 119.914 -0.003 0.000 2.307 811 V HA -0.288 3.834 4.120 0.003 0.000 0.245 811 V C 2.417 178.450 176.094 -0.101 0.000 1.045 811 V CA 2.443 64.734 62.300 -0.015 0.000 1.024 811 V CB -0.940 30.944 31.823 0.102 0.000 0.651 811 V HN 0.455 nan 8.190 nan 0.000 0.449 812 D N 0.187 120.503 120.400 -0.141 0.000 2.160 812 D HA -0.269 4.372 4.640 0.003 0.000 0.189 812 D C 2.260 178.460 176.300 -0.168 0.000 1.003 812 D CA 1.934 55.790 54.000 -0.240 0.000 0.846 812 D CB -0.184 40.526 40.800 -0.151 0.000 0.949 812 D HN 0.551 nan 8.370 nan 0.000 0.446 813 Q N -0.948 118.771 119.800 -0.135 0.000 2.364 813 Q HA -0.032 4.309 4.340 0.003 0.000 0.207 813 Q C 1.556 177.439 176.000 -0.196 0.000 0.970 813 Q CA 1.224 56.923 55.803 -0.175 0.000 0.888 813 Q CB 0.111 28.770 28.738 -0.133 0.000 0.951 813 Q HN 0.333 nan 8.270 nan 0.000 0.469 814 S N -1.219 114.381 115.700 -0.167 0.000 2.559 814 S HA 0.229 4.701 4.470 0.003 0.000 0.226 814 S C 0.045 174.542 174.600 -0.172 0.000 1.000 814 S CA -0.424 57.673 58.200 -0.172 0.000 0.948 814 S CB 0.468 63.569 63.200 -0.165 0.000 0.870 814 S HN -0.003 nan 8.310 nan 0.000 0.497 815 L N 1.749 122.879 121.223 -0.156 0.000 2.329 815 L HA 0.591 4.933 4.340 0.003 0.000 0.279 815 L C 1.368 178.179 176.870 -0.098 0.000 1.014 815 L CA -0.110 54.657 54.840 -0.121 0.000 0.814 815 L CB 1.375 43.374 42.059 -0.099 0.000 1.257 815 L HN 0.087 nan 8.230 nan 0.000 0.424 816 S N 2.334 117.991 115.700 -0.070 0.000 2.372 816 S HA -0.168 4.304 4.470 0.003 0.000 0.227 816 S C 1.522 176.131 174.600 0.016 0.000 1.044 816 S CA 1.541 59.724 58.200 -0.029 0.000 1.050 816 S CB -0.195 63.007 63.200 0.003 0.000 0.901 816 S HN 0.474 nan 8.310 nan 0.000 0.447 817 L N 1.434 122.664 121.223 0.012 0.000 2.622 817 L HA 0.190 4.532 4.340 0.003 0.000 0.233 817 L C 1.514 178.453 176.870 0.115 0.000 1.156 817 L CA 0.106 54.984 54.840 0.064 0.000 0.866 817 L CB -1.656 40.425 42.059 0.038 0.000 0.980 817 L HN 0.196 nan 8.230 nan 0.000 0.448 818 G N -1.217 107.599 108.800 0.025 0.000 2.647 818 G HA2 0.307 4.269 3.960 0.003 0.000 0.234 818 G HA3 0.307 4.269 3.960 0.003 0.000 0.234 818 G C 1.085 176.126 174.900 0.235 0.000 1.252 818 G CA 0.257 45.345 45.100 -0.020 0.000 0.846 818 G HN 0.542 nan 8.290 nan 0.000 0.589 819 G N -1.121 107.811 108.800 0.220 0.000 2.179 819 G HA2 0.252 4.214 3.960 0.003 0.000 0.220 819 G HA3 0.252 4.214 3.960 0.003 0.000 0.220 819 G C 1.248 176.254 174.900 0.177 0.000 0.990 819 G CA 0.894 46.114 45.100 0.201 0.000 0.646 819 G HN 2.550 nan 8.290 nan 0.000 0.517 820 G N -1.379 107.644 108.800 0.372 0.000 2.797 820 G HA2 0.214 4.175 3.960 0.003 0.000 0.195 820 G HA3 0.214 4.175 3.960 0.003 0.000 0.195 820 G C 1.701 176.688 174.900 0.146 0.000 1.026 820 G CA 1.181 46.404 45.100 0.205 0.000 0.759 820 G HN 1.712 nan 8.290 nan 0.000 0.475 821 G N 1.030 109.959 108.800 0.215 0.000 2.471 821 G HA2 0.044 4.006 3.960 0.003 0.000 0.219 821 G HA3 0.044 4.006 3.960 0.003 0.000 0.219 821 G C 1.467 176.493 174.900 0.210 0.000 1.125 821 G CA 1.968 47.167 45.100 0.165 0.000 0.775 821 G HN 0.882 nan 8.290 nan 0.000 0.548 822 H N 0.437 119.578 119.070 0.118 0.000 2.357 822 H HA -0.009 4.549 4.556 0.003 0.000 0.301 822 H C 2.304 177.726 175.328 0.156 0.000 1.082 822 H CA 1.331 57.469 56.048 0.149 0.000 1.342 822 H CB -1.073 28.756 29.762 0.112 0.000 1.389 822 H HN 0.191 nan 8.280 nan 0.000 0.511 823 V N 1.638 121.251 119.914 -0.501 0.000 2.307 823 V HA -0.235 3.886 4.120 0.003 0.000 0.245 823 V C 2.715 178.761 176.094 -0.081 0.000 1.045 823 V CA 2.291 64.420 62.300 -0.285 0.000 1.024 823 V CB -1.069 30.578 31.823 -0.295 0.000 0.651 823 V HN 0.469 nan 8.190 nan 0.000 0.449 824 T N 0.527 115.070 114.554 -0.019 0.000 2.699 824 T HA -0.254 4.098 4.350 0.003 0.000 0.268 824 T C 1.688 176.434 174.700 0.077 0.000 1.036 824 T CA 2.241 64.364 62.100 0.038 0.000 1.147 824 T CB -0.454 68.455 68.868 0.068 0.000 0.862 824 T HN 0.473 nan 8.240 nan 0.000 0.446 825 F N 1.345 121.289 119.950 -0.009 0.000 2.163 825 F HA 0.108 4.637 4.527 0.003 0.000 0.297 825 F C 2.213 177.997 175.800 -0.026 0.000 1.094 825 F CA 1.004 59.008 58.000 0.007 0.000 1.290 825 F CB -0.434 38.591 39.000 0.043 0.000 1.017 825 F HN 0.032 nan 8.300 nan 0.000 0.483 826 M N 0.016 119.534 119.600 -0.137 0.000 2.213 826 M HA -0.188 4.293 4.480 0.003 0.000 0.263 826 M C 1.970 178.143 176.300 -0.212 0.000 1.062 826 M CA 1.723 56.860 55.300 -0.272 0.000 1.105 826 M CB -0.506 31.991 32.600 -0.172 0.000 1.385 826 M HN 0.212 nan 8.290 nan 0.000 0.417 827 E N 0.308 120.437 120.200 -0.118 0.000 2.072 827 E HA -0.217 4.134 4.350 0.003 0.000 0.191 827 E C 1.987 178.530 176.600 -0.094 0.000 0.985 827 E CA 1.095 57.471 56.400 -0.040 0.000 0.801 827 E CB -0.149 29.547 29.700 -0.005 0.000 0.750 827 E HN 0.409 nan 8.360 nan 0.000 0.452 828 K N 0.781 121.091 120.400 -0.149 0.000 2.057 828 K HA -0.163 4.159 4.320 0.003 0.000 0.207 828 K C 2.132 178.581 176.600 -0.251 0.000 1.049 828 K CA 1.520 57.704 56.287 -0.172 0.000 0.931 828 K CB -0.145 32.299 32.500 -0.093 0.000 0.714 828 K HN 0.168 nan 8.250 nan 0.000 0.440 829 C N 0.392 119.449 119.300 -0.405 0.000 2.429 829 C HA -0.103 4.359 4.460 0.003 0.000 0.277 829 C C 2.396 177.254 174.990 -0.220 0.000 1.262 829 C CA 0.373 59.161 59.018 -0.382 0.000 1.733 829 C CB -1.110 26.276 27.740 -0.590 0.000 2.010 829 C HN 0.570 nan 8.230 nan 0.000 0.483 830 F N 2.162 121.921 119.950 -0.318 0.000 2.234 830 F HA -0.068 4.460 4.527 0.002 0.000 0.299 830 F C 2.177 177.871 175.800 -0.177 0.000 1.087 830 F CA 1.403 59.234 58.000 -0.281 0.000 1.340 830 F CB -0.544 38.294 39.000 -0.270 0.000 1.031 830 F HN 0.166 nan 8.300 nan 0.000 0.500 831 K N -0.143 119.985 120.400 -0.453 0.000 2.211 831 K HA -0.171 4.150 4.320 0.003 0.000 0.204 831 K C 1.480 177.904 176.600 -0.293 0.000 1.047 831 K CA 1.426 57.360 56.287 -0.588 0.000 0.935 831 K CB -0.136 32.028 32.500 -0.560 0.000 0.728 831 K HN 0.259 nan 8.250 nan 0.000 0.452 832 E N 0.276 120.342 120.200 -0.223 0.000 2.447 832 E HA 0.029 4.381 4.350 0.003 0.000 0.195 832 E C 0.210 176.770 176.600 -0.068 0.000 1.028 832 E CA 0.076 56.402 56.400 -0.125 0.000 0.876 832 E CB 0.171 29.815 29.700 -0.094 0.000 0.885 832 E HN -0.045 nan 8.360 nan 0.000 0.500 833 V N 2.421 122.254 119.914 -0.135 0.000 2.655 833 V HA 0.004 4.126 4.120 0.003 0.000 0.300 833 V C 0.240 176.423 176.094 0.147 0.000 1.044 833 V CA 0.229 62.489 62.300 -0.065 0.000 1.095 833 V CB 0.391 32.064 31.823 -0.250 0.000 0.952 833 V HN 0.123 nan 8.190 nan 0.000 0.485 834 N N 2.407 121.253 118.700 0.245 0.000 2.225 834 N HA 0.383 5.125 4.740 0.003 0.000 0.298 834 N C 0.340 176.169 175.510 0.531 0.000 1.076 834 N CA -0.819 52.438 53.050 0.345 0.000 0.792 834 N CB 1.496 40.116 38.487 0.221 0.000 1.498 834 N HN 0.482 nan 8.380 nan 0.000 0.474 835 L N 1.950 123.515 121.223 0.569 0.000 2.265 835 L HA 0.032 4.373 4.340 0.003 0.000 0.215 835 L C 1.695 178.872 176.870 0.512 0.000 1.117 835 L CA 1.651 56.822 54.840 0.551 0.000 0.782 835 L CB -0.413 41.827 42.059 0.303 0.000 0.914 835 L HN 0.709 nan 8.230 nan 0.000 0.441 836 Q N -0.326 119.695 119.800 0.369 0.000 2.291 836 Q HA -0.161 4.181 4.340 0.003 0.000 0.205 836 Q C 1.513 177.686 176.000 0.288 0.000 0.970 836 Q CA 1.091 57.062 55.803 0.280 0.000 0.876 836 Q CB -0.216 28.615 28.738 0.155 0.000 0.935 836 Q HN 0.587 nan 8.270 nan 0.000 0.455 837 D N -0.761 119.838 120.400 0.331 0.000 2.263 837 D HA -0.145 4.496 4.640 0.003 0.000 0.208 837 D C 0.914 177.282 176.300 0.113 0.000 0.971 837 D CA 0.875 54.978 54.000 0.172 0.000 0.867 837 D CB -0.132 40.716 40.800 0.080 0.000 0.929 837 D HN 0.356 nan 8.370 nan 0.000 0.492 838 Y N -0.806 119.626 120.300 0.219 0.000 2.490 838 Y HA 0.077 4.629 4.550 0.003 0.000 0.281 838 Y C 0.573 176.604 175.900 0.219 0.000 1.174 838 Y CA -0.069 58.183 58.100 0.254 0.000 1.295 838 Y CB -0.363 38.274 38.460 0.295 0.000 1.062 838 Y HN 0.010 nan 8.280 nan 0.000 0.522 839 H N 0.524 119.668 119.070 0.124 0.000 2.741 839 H HA 0.177 4.735 4.556 0.003 0.000 0.282 839 H C 1.089 176.031 175.328 -0.644 0.000 1.122 839 H CA -0.415 55.507 56.048 -0.210 0.000 1.293 839 H CB 0.643 30.387 29.762 -0.031 0.000 1.415 839 H HN 0.189 nan 8.280 nan 0.000 0.472 840 L N 7.162 127.593 121.223 -1.320 0.000 2.017 840 L HA 0.037 4.379 4.340 0.003 0.000 0.208 840 L C -0.959 175.515 176.870 -0.660 0.000 1.073 840 L CA 1.437 55.738 54.840 -0.898 0.000 0.745 840 L CB -0.663 40.750 42.059 -1.077 0.000 0.894 840 L HN 0.597 nan 8.230 nan 0.000 0.432 841 P HA -0.146 nan 4.420 nan 0.000 0.215 841 P C 0.893 178.099 177.300 -0.156 0.000 1.153 841 P CA 1.944 64.808 63.100 -0.393 0.000 0.853 841 P CB -0.195 31.299 31.700 -0.343 0.000 0.788 842 N N -0.974 117.714 118.700 -0.020 0.000 2.250 842 N HA -0.038 4.703 4.740 0.003 0.000 0.181 842 N C 1.774 177.243 175.510 -0.068 0.000 1.017 842 N CA 0.717 53.700 53.050 -0.112 0.000 0.866 842 N CB -0.368 37.939 38.487 -0.300 0.000 0.985 842 N HN 0.026 nan 8.380 nan 0.000 0.429 843 A N 1.415 124.203 122.820 -0.054 0.000 1.902 843 A HA -0.084 4.238 4.320 0.003 0.000 0.217 843 A C 2.111 179.697 177.584 0.003 0.000 1.181 843 A CA 1.030 53.059 52.037 -0.014 0.000 0.623 843 A CB -0.691 18.309 19.000 0.001 0.000 0.818 843 A HN 0.159 nan 8.150 nan 0.000 0.443 844 L N -0.864 120.341 121.223 -0.030 0.000 2.093 844 L HA -0.175 4.167 4.340 0.003 0.000 0.208 844 L C 2.597 179.483 176.870 0.026 0.000 1.085 844 L CA 1.843 56.691 54.840 0.014 0.000 0.755 844 L CB -0.455 41.571 42.059 -0.056 0.000 0.904 844 L HN 0.457 nan 8.230 nan 0.000 0.435 845 K N 1.010 121.402 120.400 -0.012 0.000 2.002 845 K HA -0.257 4.064 4.320 0.003 0.000 0.209 845 K C 2.255 178.863 176.600 0.013 0.000 1.048 845 K CA 1.688 57.974 56.287 -0.002 0.000 0.930 845 K CB -0.050 32.434 32.500 -0.026 0.000 0.714 845 K HN 0.049 nan 8.250 nan 0.000 0.438 846 K N 0.455 120.858 120.400 0.005 0.000 2.103 846 K HA -0.167 4.155 4.320 0.003 0.000 0.207 846 K C 1.914 178.534 176.600 0.034 0.000 1.048 846 K CA 1.529 57.824 56.287 0.014 0.000 0.930 846 K CB 0.032 32.538 32.500 0.011 0.000 0.716 846 K HN 0.115 nan 8.250 nan 0.000 0.444 847 R N -1.031 119.500 120.500 0.053 0.000 2.276 847 R HA 0.035 4.376 4.340 0.003 0.000 0.203 847 R C 0.888 177.248 176.300 0.100 0.000 1.017 847 R CA 0.613 56.758 56.100 0.076 0.000 1.010 847 R CB 0.244 30.606 30.300 0.102 0.000 0.900 847 R HN 0.499 nan 8.270 nan 0.000 0.469 848 G N 0.812 109.669 108.800 0.095 0.000 2.160 848 G HA2 -0.246 3.715 3.960 0.003 0.000 0.244 848 G HA3 -0.246 3.715 3.960 0.003 0.000 0.244 848 G C 0.447 175.480 174.900 0.222 0.000 1.022 848 G CA 0.340 45.510 45.100 0.117 0.000 0.741 848 G HN 0.344 nan 8.290 nan 0.000 0.508 849 V N -2.207 117.833 119.914 0.210 0.000 3.159 849 V HA 0.440 4.561 4.120 0.003 0.000 0.333 849 V C 1.077 177.307 176.094 0.227 0.000 1.424 849 V CA 0.938 63.390 62.300 0.253 0.000 1.125 849 V CB 0.671 32.662 31.823 0.279 0.000 1.075 849 V HN 0.299 nan 8.190 nan 0.000 0.482 850 D N -0.970 119.511 120.400 0.135 0.000 2.340 850 D HA 0.066 4.707 4.640 0.003 0.000 0.217 850 D C 0.251 176.587 176.300 0.060 0.000 1.081 850 D CA 0.010 54.050 54.000 0.066 0.000 0.842 850 D CB 0.120 40.925 40.800 0.009 0.000 0.934 850 D HN 0.460 nan 8.370 nan 0.000 0.511 851 D N 1.215 121.670 120.400 0.092 0.000 2.396 851 D HA 0.167 4.808 4.640 0.003 0.000 0.225 851 D C -1.746 174.599 176.300 0.075 0.000 1.121 851 D CA -2.191 51.855 54.000 0.076 0.000 0.853 851 D CB 2.090 42.942 40.800 0.087 0.000 1.043 851 D HN -0.106 nan 8.370 nan 0.000 0.500 852 P HA -0.084 nan 4.420 nan 0.000 0.223 852 P C 1.169 178.497 177.300 0.047 0.000 1.151 852 P CA 0.671 63.796 63.100 0.043 0.000 0.787 852 P CB 0.170 31.890 31.700 0.032 0.000 0.788 853 S N -1.511 114.225 115.700 0.060 0.000 2.489 853 S HA 0.051 4.523 4.470 0.003 0.000 0.228 853 S C 1.671 176.340 174.600 0.115 0.000 0.995 853 S CA 0.551 58.793 58.200 0.070 0.000 0.934 853 S CB -0.500 62.739 63.200 0.066 0.000 0.771 853 S HN 0.035 nan 8.310 nan 0.000 0.522 854 K N 0.210 120.693 120.400 0.138 0.000 2.287 854 K HA 0.357 4.679 4.320 0.003 0.000 0.199 854 K C 0.002 176.722 176.600 0.200 0.000 1.061 854 K CA 0.206 56.640 56.287 0.245 0.000 0.976 854 K CB -0.079 32.561 32.500 0.233 0.000 0.898 854 K HN 0.403 nan 8.250 nan 0.000 0.492 855 L N 3.791 125.053 121.223 0.065 0.000 2.433 855 L HA 0.344 4.686 4.340 0.003 0.000 0.256 855 L C -2.789 174.023 176.870 -0.097 0.000 1.063 855 L CA -1.921 52.840 54.840 -0.131 0.000 0.922 855 L CB 1.494 43.343 42.059 -0.351 0.000 1.238 855 L HN -0.135 nan 8.230 nan 0.000 0.466 856 P HA 0.379 nan 4.420 nan 0.000 0.280 856 P C 0.274 177.487 177.300 -0.144 0.000 1.272 856 P CA 0.140 63.199 63.100 -0.068 0.000 0.819 856 P CB 1.207 32.886 31.700 -0.035 0.000 1.122 857 G N 0.026 108.723 108.800 -0.171 0.000 2.272 857 G HA2 -0.237 3.724 3.960 0.003 0.000 0.280 857 G HA3 -0.237 3.724 3.960 0.003 0.000 0.280 857 G C -0.518 173.825 174.900 -0.928 0.000 1.067 857 G CA -0.306 44.510 45.100 -0.474 0.000 0.902 857 G HN 0.502 nan 8.290 nan 0.000 0.500 858 F N 1.313 120.717 119.950 -0.910 0.000 2.363 858 F HA 0.596 5.125 4.527 0.003 0.000 0.366 858 F C 0.884 176.320 175.800 -0.607 0.000 1.083 858 F CA -2.743 54.843 58.000 -0.691 0.000 1.176 858 F CB 0.152 38.929 39.000 -0.371 0.000 1.432 858 F HN 0.183 nan 8.300 nan 0.000 0.482 859 Y N 2.901 123.107 120.300 -0.156 0.000 2.365 859 Y HA -0.199 4.352 4.550 0.002 0.000 0.293 859 Y C 2.139 177.739 175.900 -0.500 0.000 1.119 859 Y CA 1.072 58.960 58.100 -0.353 0.000 1.203 859 Y CB -0.476 37.733 38.460 -0.417 0.000 1.026 859 Y HN 0.571 nan 8.280 nan 0.000 0.549 860 Y N 1.912 121.824 120.300 -0.647 0.000 2.114 860 Y HA -0.357 4.194 4.550 0.003 0.000 0.282 860 Y C 2.718 178.404 175.900 -0.356 0.000 1.165 860 Y CA 2.042 59.962 58.100 -0.299 0.000 1.148 860 Y CB -0.420 38.011 38.460 -0.048 0.000 0.972 860 Y HN -0.004 nan 8.280 nan 0.000 0.504 861 R N 0.229 120.130 120.500 -0.997 0.000 2.070 861 R HA -0.183 4.159 4.340 0.003 0.000 0.232 861 R C 1.803 177.815 176.300 -0.481 0.000 1.138 861 R CA 2.259 57.784 56.100 -0.958 0.000 0.936 861 R CB -0.515 29.019 30.300 -1.277 0.000 0.839 861 R HN 0.375 nan 8.270 nan 0.000 0.429 862 D N 0.490 120.709 120.400 -0.301 0.000 2.117 862 D HA -0.135 4.507 4.640 0.003 0.000 0.197 862 D C 1.517 177.795 176.300 -0.036 0.000 0.987 862 D CA 1.306 55.242 54.000 -0.106 0.000 0.829 862 D CB -0.359 40.449 40.800 0.012 0.000 0.961 862 D HN 0.335 nan 8.370 nan 0.000 0.460 863 D N 0.044 120.447 120.400 0.004 0.000 2.137 863 D HA -0.031 4.611 4.640 0.003 0.000 0.202 863 D C 2.224 178.582 176.300 0.096 0.000 0.970 863 D CA 1.153 55.212 54.000 0.099 0.000 0.837 863 D CB -0.718 40.217 40.800 0.226 0.000 0.981 863 D HN 0.238 nan 8.370 nan 0.000 0.475 864 G N 1.009 109.802 108.800 -0.013 0.000 2.440 864 G HA2 -0.220 3.742 3.960 0.003 0.000 0.218 864 G HA3 -0.220 3.742 3.960 0.003 0.000 0.218 864 G C 1.738 176.704 174.900 0.109 0.000 1.154 864 G CA 0.419 45.576 45.100 0.096 0.000 0.767 864 G HN 0.245 nan 8.290 nan 0.000 0.552 865 L N 0.539 121.726 121.223 -0.061 0.000 2.093 865 L HA 0.007 4.349 4.340 0.003 0.000 0.208 865 L C 3.394 180.330 176.870 0.109 0.000 1.085 865 L CA 0.855 55.680 54.840 -0.025 0.000 0.755 865 L CB -0.352 41.649 42.059 -0.097 0.000 0.904 865 L HN 0.302 nan 8.230 nan 0.000 0.435 866 A N 0.231 123.113 122.820 0.103 0.000 1.902 866 A HA -0.163 4.158 4.320 0.003 0.000 0.217 866 A C 2.241 179.943 177.584 0.197 0.000 1.181 866 A CA 1.446 53.561 52.037 0.130 0.000 0.623 866 A CB -0.653 18.406 19.000 0.098 0.000 0.818 866 A HN 0.352 nan 8.150 nan 0.000 0.443 867 L N -1.724 119.655 121.223 0.261 0.000 2.056 867 L HA -0.185 4.156 4.340 0.003 0.000 0.207 867 L C 2.631 179.754 176.870 0.421 0.000 1.078 867 L CA 1.337 56.382 54.840 0.342 0.000 0.749 867 L CB -0.565 41.734 42.059 0.400 0.000 0.901 867 L HN 0.785 nan 8.230 nan 0.000 0.433 868 W N 1.956 123.393 121.300 0.229 0.000 2.335 868 W HA -0.282 4.380 4.660 0.003 0.000 0.311 868 W C 2.303 178.849 176.519 0.045 0.000 1.213 868 W CA 2.369 59.731 57.345 0.030 0.000 1.274 868 W CB -0.196 29.054 29.460 -0.349 0.000 1.148 868 W HN 0.366 nan 8.180 nan 0.000 0.498 869 E N 0.532 120.900 120.200 0.280 0.000 2.110 869 E HA -0.181 4.170 4.350 0.003 0.000 0.193 869 E C 2.263 178.926 176.600 0.106 0.000 0.988 869 E CA 1.717 58.221 56.400 0.174 0.000 0.804 869 E CB -0.421 29.391 29.700 0.187 0.000 0.745 869 E HN 0.144 nan 8.360 nan 0.000 0.458 870 A N 1.119 124.044 122.820 0.175 0.000 1.898 870 A HA -0.125 4.196 4.320 0.003 0.000 0.216 870 A C 2.186 179.910 177.584 0.234 0.000 1.181 870 A CA 1.286 53.477 52.037 0.256 0.000 0.620 870 A CB -0.584 18.616 19.000 0.334 0.000 0.819 870 A HN 0.348 nan 8.150 nan 0.000 0.442 871 I N -0.612 120.064 120.570 0.176 0.000 2.179 871 I HA -0.278 3.894 4.170 0.003 0.000 0.242 871 I C 2.615 178.600 176.117 -0.219 0.000 1.088 871 I CA 1.882 63.152 61.300 -0.050 0.000 1.357 871 I CB -0.342 37.661 38.000 0.005 0.000 1.051 871 I HN 0.537 nan 8.210 nan 0.000 0.409 872 E N 0.534 120.540 120.200 -0.322 0.000 2.058 872 E HA -0.237 4.115 4.350 0.003 0.000 0.194 872 E C 2.073 178.571 176.600 -0.171 0.000 0.997 872 E CA 2.044 58.245 56.400 -0.331 0.000 0.801 872 E CB 0.035 29.523 29.700 -0.354 0.000 0.746 872 E HN 0.411 nan 8.360 nan 0.000 0.450 873 T N 0.711 115.221 114.554 -0.073 0.000 2.720 873 T HA -0.183 4.169 4.350 0.003 0.000 0.268 873 T C 1.383 176.064 174.700 -0.032 0.000 1.037 873 T CA 1.414 63.502 62.100 -0.020 0.000 1.144 873 T CB -0.455 68.444 68.868 0.053 0.000 0.864 873 T HN 0.281 nan 8.240 nan 0.000 0.444 874 F N 1.777 121.578 119.950 -0.249 0.000 2.113 874 F HA 0.029 4.557 4.527 0.003 0.000 0.297 874 F C 1.949 177.582 175.800 -0.278 0.000 1.103 874 F CA 0.739 58.534 58.000 -0.341 0.000 1.248 874 F CB -0.629 37.835 39.000 -0.894 0.000 0.999 874 F HN 0.094 nan 8.300 nan 0.000 0.475 875 I N 0.444 120.678 120.570 -0.560 0.000 2.226 875 I HA -0.238 3.934 4.170 0.003 0.000 0.245 875 I C 2.737 178.634 176.117 -0.367 0.000 1.100 875 I CA 1.458 62.421 61.300 -0.562 0.000 1.374 875 I CB -1.446 36.339 38.000 -0.359 0.000 1.057 875 I HN 0.339 nan 8.210 nan 0.000 0.413 876 G N 0.352 109.003 108.800 -0.248 0.000 2.422 876 G HA2 -0.221 3.741 3.960 0.003 0.000 0.218 876 G HA3 -0.221 3.741 3.960 0.003 0.000 0.218 876 G C 1.522 176.336 174.900 -0.144 0.000 1.146 876 G CA 0.540 45.545 45.100 -0.159 0.000 0.769 876 G HN 0.419 nan 8.290 nan 0.000 0.547 877 E N -0.087 120.009 120.200 -0.173 0.000 2.047 877 E HA -0.069 4.283 4.350 0.003 0.000 0.191 877 E C 2.539 179.029 176.600 -0.184 0.000 0.987 877 E CA 0.521 56.834 56.400 -0.145 0.000 0.799 877 E CB -0.067 29.578 29.700 -0.091 0.000 0.752 877 E HN 0.279 nan 8.360 nan 0.000 0.449 878 I N 1.154 121.528 120.570 -0.326 0.000 2.163 878 I HA -0.270 3.902 4.170 0.003 0.000 0.243 878 I C 2.428 178.570 176.117 0.042 0.000 1.085 878 I CA 1.374 62.536 61.300 -0.230 0.000 1.347 878 I CB -0.861 36.867 38.000 -0.454 0.000 1.044 878 I HN 0.173 nan 8.210 nan 0.000 0.408 879 I N 1.060 121.627 120.570 -0.004 0.000 2.208 879 I HA -0.301 3.871 4.170 0.003 0.000 0.245 879 I C 2.707 178.947 176.117 0.205 0.000 1.097 879 I CA 1.539 62.940 61.300 0.168 0.000 1.363 879 I CB -0.419 37.573 38.000 -0.014 0.000 1.051 879 I HN 0.146 nan 8.210 nan 0.000 0.413 880 A N 0.677 123.522 122.820 0.041 0.000 1.972 880 A HA -0.160 4.162 4.320 0.003 0.000 0.219 880 A C 2.260 179.804 177.584 -0.067 0.000 1.169 880 A CA 1.390 53.429 52.037 0.003 0.000 0.635 880 A CB -0.803 18.176 19.000 -0.036 0.000 0.810 880 A HN 0.423 nan 8.150 nan 0.000 0.446 881 I N -2.048 118.422 120.570 -0.165 0.000 2.226 881 I HA -0.242 3.929 4.170 0.003 0.000 0.245 881 I C 2.024 177.799 176.117 -0.570 0.000 1.100 881 I CA 1.500 62.537 61.300 -0.437 0.000 1.374 881 I CB -0.263 37.314 38.000 -0.705 0.000 1.057 881 I HN 0.363 nan 8.210 nan 0.000 0.413 882 F N -1.359 118.539 119.950 -0.088 0.000 2.559 882 F HA 0.135 4.664 4.527 0.003 0.000 0.286 882 F C 0.337 175.939 175.800 -0.330 0.000 1.108 882 F CA -0.244 57.609 58.000 -0.245 0.000 1.436 882 F CB -0.125 38.649 39.000 -0.377 0.000 1.130 882 F HN -0.177 nan 8.300 nan 0.000 0.584 883 Y N 1.353 121.720 120.300 0.112 0.000 2.353 883 Y HA 0.312 4.863 4.550 0.003 0.000 0.340 883 Y C 1.097 177.022 175.900 0.042 0.000 0.972 883 Y CA -1.068 57.086 58.100 0.090 0.000 1.157 883 Y CB 0.812 39.316 38.460 0.072 0.000 1.157 883 Y HN -0.232 nan 8.280 nan 0.000 0.495 884 K N 2.125 122.627 120.400 0.170 0.000 2.365 884 K HA 0.066 4.388 4.320 0.003 0.000 0.197 884 K C -0.342 176.311 176.600 0.088 0.000 1.042 884 K CA 0.439 56.780 56.287 0.090 0.000 0.987 884 K CB -0.243 32.293 32.500 0.059 0.000 0.779 884 K HN 0.898 nan 8.250 nan 0.000 0.484 885 N N -1.857 116.917 118.700 0.124 0.000 3.373 885 N HA 0.054 4.796 4.740 0.003 0.000 0.275 885 N C -0.359 175.210 175.510 0.099 0.000 1.489 885 N CA -0.561 52.539 53.050 0.083 0.000 0.872 885 N CB 0.007 38.528 38.487 0.057 0.000 1.555 885 N HN -0.399 nan 8.380 nan 0.000 0.500 886 D N -0.507 119.929 120.400 0.061 0.000 2.178 886 D HA -0.084 4.558 4.640 0.003 0.000 0.201 886 D C 0.484 176.824 176.300 0.068 0.000 0.980 886 D CA 1.154 55.186 54.000 0.053 0.000 0.842 886 D CB -0.203 40.619 40.800 0.037 0.000 0.948 886 D HN 0.497 nan 8.370 nan 0.000 0.472 887 D N 0.663 121.094 120.400 0.051 0.000 2.144 887 D HA -0.119 4.522 4.640 0.003 0.000 0.199 887 D C 1.447 177.766 176.300 0.032 0.000 0.984 887 D CA 0.756 54.768 54.000 0.019 0.000 0.834 887 D CB -0.149 40.638 40.800 -0.022 0.000 0.955 887 D HN 0.155 nan 8.370 nan 0.000 0.465 888 D N -0.008 120.474 120.400 0.135 0.000 2.144 888 D HA -0.103 4.538 4.640 0.003 0.000 0.199 888 D C 2.278 178.895 176.300 0.529 0.000 0.984 888 D CA 0.373 54.581 54.000 0.346 0.000 0.834 888 D CB -0.152 40.938 40.800 0.485 0.000 0.955 888 D HN 0.079 nan 8.370 nan 0.000 0.465 889 V N 1.098 121.239 119.914 0.377 0.000 2.261 889 V HA -0.238 3.883 4.120 0.003 0.000 0.246 889 V C 2.319 178.561 176.094 0.246 0.000 1.047 889 V CA 1.574 64.012 62.300 0.230 0.000 1.015 889 V CB -0.376 31.412 31.823 -0.058 0.000 0.642 889 V HN 0.182 nan 8.190 nan 0.000 0.446 890 K N -0.098 120.398 120.400 0.159 0.000 2.103 890 K HA -0.164 4.158 4.320 0.003 0.000 0.207 890 K C 2.240 178.907 176.600 0.113 0.000 1.048 890 K CA 1.441 57.802 56.287 0.122 0.000 0.930 890 K CB -0.233 32.303 32.500 0.061 0.000 0.716 890 K HN 0.391 nan 8.250 nan 0.000 0.444 891 R N 0.744 121.287 120.500 0.071 0.000 2.299 891 R HA -0.022 4.319 4.340 0.003 0.000 0.197 891 R C 0.219 176.665 176.300 0.242 0.000 0.971 891 R CA 0.170 56.258 56.100 -0.020 0.000 1.030 891 R CB 0.062 30.081 30.300 -0.468 0.000 0.932 891 R HN 0.092 nan 8.270 nan 0.000 0.477 892 D N 0.533 121.199 120.400 0.442 0.000 2.374 892 D HA -0.030 4.611 4.640 0.003 0.000 0.240 892 D C 0.451 176.964 176.300 0.356 0.000 1.229 892 D CA -0.015 54.303 54.000 0.530 0.000 0.895 892 D CB 0.566 41.732 40.800 0.610 0.000 1.046 892 D HN -0.115 nan 8.370 nan 0.000 0.498 893 N N 3.291 122.164 118.700 0.288 0.000 2.381 893 N HA -0.141 4.600 4.740 0.003 0.000 0.182 893 N C 1.134 176.772 175.510 0.213 0.000 1.025 893 N CA 1.143 54.318 53.050 0.209 0.000 0.888 893 N CB 0.287 38.868 38.487 0.157 0.000 0.965 893 N HN 0.496 nan 8.380 nan 0.000 0.438 894 E N -0.413 119.923 120.200 0.226 0.000 2.046 894 E HA -0.114 4.238 4.350 0.003 0.000 0.190 894 E C 1.600 178.304 176.600 0.174 0.000 0.982 894 E CA 0.753 57.253 56.400 0.166 0.000 0.800 894 E CB -0.038 29.732 29.700 0.116 0.000 0.756 894 E HN 0.319 nan 8.360 nan 0.000 0.449 895 I N 1.436 122.132 120.570 0.210 0.000 2.394 895 I HA -0.228 3.944 4.170 0.003 0.000 0.251 895 I C 2.034 178.448 176.117 0.494 0.000 1.136 895 I CA 1.242 62.703 61.300 0.268 0.000 1.425 895 I CB -0.025 38.121 38.000 0.243 0.000 1.079 895 I HN 0.010 nan 8.210 nan 0.000 0.425 896 Q N -0.191 119.840 119.800 0.385 0.000 2.079 896 Q HA -0.098 4.244 4.340 0.003 0.000 0.200 896 Q C 2.404 178.579 176.000 0.292 0.000 0.974 896 Q CA 1.785 57.780 55.803 0.320 0.000 0.840 896 Q CB -0.635 28.232 28.738 0.215 0.000 0.898 896 Q HN 0.448 nan 8.270 nan 0.000 0.430 897 S N 0.435 116.302 115.700 0.278 0.000 2.399 897 S HA -0.146 4.326 4.470 0.003 0.000 0.231 897 S C 1.347 176.148 174.600 0.336 0.000 1.022 897 S CA 0.917 59.288 58.200 0.286 0.000 0.983 897 S CB -0.347 62.994 63.200 0.235 0.000 0.803 897 S HN 0.510 nan 8.310 nan 0.000 0.480 898 W N 1.851 123.241 121.300 0.149 0.000 2.354 898 W HA -0.084 4.577 4.660 0.003 0.000 0.315 898 W C 1.842 178.424 176.519 0.106 0.000 1.206 898 W CA 0.863 58.284 57.345 0.127 0.000 1.290 898 W CB -0.526 29.009 29.460 0.124 0.000 1.152 898 W HN 0.225 nan 8.180 nan 0.000 0.489 899 I N -0.272 120.453 120.570 0.258 0.000 2.439 899 I HA -0.186 3.985 4.170 0.003 0.000 0.251 899 I C 2.263 178.268 176.117 -0.187 0.000 1.139 899 I CA 1.480 62.684 61.300 -0.160 0.000 1.438 899 I CB -1.144 36.702 38.000 -0.256 0.000 1.085 899 I HN 0.191 nan 8.210 nan 0.000 0.427 900 Y N 0.888 121.127 120.300 -0.102 0.000 2.242 900 Y HA -0.241 4.310 4.550 0.003 0.000 0.291 900 Y C 2.241 178.123 175.900 -0.031 0.000 1.137 900 Y CA 2.043 60.105 58.100 -0.062 0.000 1.181 900 Y CB -0.419 38.031 38.460 -0.017 0.000 0.989 900 Y HN 0.250 nan 8.280 nan 0.000 0.527 901 D N -0.609 119.771 120.400 -0.033 0.000 2.117 901 D HA -0.165 4.477 4.640 0.003 0.000 0.197 901 D C 2.190 178.349 176.300 -0.235 0.000 0.987 901 D CA 1.534 55.513 54.000 -0.034 0.000 0.829 901 D CB -0.129 40.806 40.800 0.225 0.000 0.961 901 D HN 0.269 nan 8.370 nan 0.000 0.460 902 V N -0.240 119.431 119.914 -0.405 0.000 2.358 902 V HA -0.207 3.914 4.120 0.003 0.000 0.246 902 V C 2.297 178.041 176.094 -0.583 0.000 1.047 902 V CA 1.954 63.856 62.300 -0.664 0.000 1.035 902 V CB -0.743 30.290 31.823 -1.316 0.000 0.658 902 V HN 0.342 nan 8.190 nan 0.000 0.452 903 H N 1.023 119.740 119.070 -0.588 0.000 2.319 903 H HA -0.233 4.325 4.556 0.003 0.000 0.299 903 H C 2.215 177.269 175.328 -0.456 0.000 1.092 903 H CA 2.541 58.315 56.048 -0.457 0.000 1.302 903 H CB 0.058 29.563 29.762 -0.429 0.000 1.373 903 H HN 0.338 nan 8.280 nan 0.000 0.497 904 K N -0.489 119.519 120.400 -0.653 0.000 2.202 904 K HA 0.097 4.418 4.320 0.003 0.000 0.201 904 K C 1.051 177.338 176.600 -0.522 0.000 1.051 904 K CA 1.537 57.435 56.287 -0.648 0.000 0.977 904 K CB 0.368 32.351 32.500 -0.861 0.000 0.792 904 K HN 0.479 nan 8.250 nan 0.000 0.469 905 N N -1.511 116.824 118.700 -0.609 0.000 2.181 905 N HA 0.175 4.916 4.740 0.003 0.000 0.207 905 N C 0.914 175.790 175.510 -1.056 0.000 1.182 905 N CA 0.222 52.790 53.050 -0.803 0.000 0.893 905 N CB 1.299 39.122 38.487 -1.107 0.000 1.032 905 N HN 0.213 nan 8.380 nan 0.000 0.513 906 G N 0.027 108.342 108.800 -0.809 0.000 2.760 906 G HA2 -0.009 3.953 3.960 0.003 0.000 0.214 906 G HA3 -0.009 3.953 3.960 0.003 0.000 0.214 906 G C -0.547 174.402 174.900 0.083 0.000 1.212 906 G CA -0.128 44.644 45.100 -0.547 0.000 0.858 906 G HN 0.126 nan 8.290 nan 0.000 0.611 907 W N 3.014 124.189 121.300 -0.209 0.000 2.175 907 W HA 0.611 5.273 4.660 0.003 0.000 0.350 907 W C -0.097 176.428 176.519 0.009 0.000 0.877 907 W CA -1.847 55.518 57.345 0.033 0.000 1.544 907 W CB -0.485 28.988 29.460 0.022 0.000 1.585 907 W HN -0.007 nan 8.180 nan 0.000 0.347 908 R N 0.892 121.485 120.500 0.156 0.000 2.401 908 R HA 0.240 4.582 4.340 0.003 0.000 0.299 908 R C 0.155 176.401 176.300 -0.090 0.000 1.064 908 R CA -0.401 55.643 56.100 -0.093 0.000 1.000 908 R CB 1.051 31.203 30.300 -0.246 0.000 0.973 908 R HN -0.053 nan 8.270 nan 0.000 0.438 909 V N 5.020 124.839 119.914 -0.158 0.000 2.229 909 V HA -0.005 4.117 4.120 0.003 0.000 0.245 909 V C 0.294 176.194 176.094 -0.324 0.000 1.243 909 V CA -0.069 62.076 62.300 -0.258 0.000 1.176 909 V CB -0.748 30.931 31.823 -0.240 0.000 1.323 909 V HN 0.632 nan 8.190 nan 0.000 0.499 910 N N 4.369 122.723 118.700 -0.576 0.000 2.413 910 N HA 0.402 5.143 4.740 0.003 0.000 0.266 910 N C -2.519 172.902 175.510 -0.149 0.000 1.238 910 N CA -1.959 50.842 53.050 -0.414 0.000 0.972 910 N CB 0.442 38.648 38.487 -0.469 0.000 1.210 910 N HN 0.181 nan 8.380 nan 0.000 0.547 911 P HA 0.085 nan 4.420 nan 0.000 0.261 911 P C 0.491 177.866 177.300 0.126 0.000 1.183 911 P CA 0.946 64.061 63.100 0.025 0.000 0.761 911 P CB 0.171 31.873 31.700 0.004 0.000 0.785 912 G N 1.604 110.453 108.800 0.081 0.000 2.176 912 G HA2 -0.190 3.771 3.960 0.003 0.000 0.232 912 G HA3 -0.190 3.771 3.960 0.003 0.000 0.232 912 G C 0.123 175.026 174.900 0.006 0.000 0.986 912 G CA -0.430 44.698 45.100 0.045 0.000 0.643 912 G HN 0.636 nan 8.290 nan 0.000 0.522 913 H N 1.007 120.011 119.070 -0.110 0.000 2.481 913 H HA 0.369 4.927 4.556 0.003 0.000 0.339 913 H C 0.332 175.510 175.328 -0.250 0.000 1.131 913 H CA -0.509 55.425 56.048 -0.189 0.000 1.301 913 H CB 0.898 30.520 29.762 -0.232 0.000 1.476 913 H HN 0.214 nan 8.280 nan 0.000 0.529 914 Q N 1.414 121.086 119.800 -0.214 0.000 2.443 914 Q HA 0.013 4.355 4.340 0.003 0.000 0.232 914 Q C -0.167 175.587 176.000 -0.410 0.000 1.026 914 Q CA -0.163 55.503 55.803 -0.229 0.000 0.924 914 Q CB 0.708 29.344 28.738 -0.169 0.000 1.256 914 Q HN 0.636 nan 8.270 nan 0.000 0.519 915 D N -0.261 119.984 120.400 -0.258 0.000 2.449 915 D HA -0.085 4.556 4.640 0.003 0.000 0.236 915 D C 0.266 176.419 176.300 -0.246 0.000 1.149 915 D CA 0.334 54.188 54.000 -0.244 0.000 0.878 915 D CB 0.526 41.277 40.800 -0.082 0.000 1.198 915 D HN 0.333 nan 8.370 nan 0.000 0.446 916 H N 2.351 121.447 119.070 0.043 0.000 2.594 916 H HA 0.236 4.794 4.556 0.003 0.000 0.279 916 H C 1.380 176.845 175.328 0.229 0.000 1.042 916 H CA 0.537 56.663 56.048 0.130 0.000 1.177 916 H CB 0.669 30.553 29.762 0.204 0.000 1.524 916 H HN 0.670 nan 8.280 nan 0.000 0.537 917 G N 1.268 110.205 108.800 0.229 0.000 2.168 917 G HA2 -0.289 3.672 3.960 0.003 0.000 0.257 917 G HA3 -0.289 3.672 3.960 0.003 0.000 0.257 917 G C 0.227 175.230 174.900 0.173 0.000 0.997 917 G CA 0.551 45.766 45.100 0.192 0.000 0.708 917 G HN 0.240 nan 8.290 nan 0.000 0.520 918 V N 2.521 122.535 119.914 0.167 0.000 2.406 918 V HA 0.421 4.543 4.120 0.003 0.000 0.272 918 V C -1.192 174.944 176.094 0.070 0.000 1.043 918 V CA -1.467 60.861 62.300 0.045 0.000 0.915 918 V CB 1.395 33.164 31.823 -0.091 0.000 0.988 918 V HN 0.215 nan 8.190 nan 0.000 0.466 919 P HA 0.198 nan 4.420 nan 0.000 0.275 919 P C 0.390 177.458 177.300 -0.388 0.000 1.228 919 P CA -0.281 62.698 63.100 -0.201 0.000 0.786 919 P CB 1.265 32.811 31.700 -0.256 0.000 0.927 920 A N 2.288 124.768 122.820 -0.568 0.000 2.119 920 A HA 0.103 4.424 4.320 0.003 0.000 0.217 920 A C 0.927 178.389 177.584 -0.204 0.000 1.153 920 A CA 1.353 53.020 52.037 -0.618 0.000 0.692 920 A CB -0.563 18.126 19.000 -0.517 0.000 0.799 920 A HN 0.725 nan 8.150 nan 0.000 0.458 921 S N -2.651 112.901 115.700 -0.248 0.000 2.615 921 S HA 0.695 5.167 4.470 0.003 0.000 0.269 921 S C -1.014 173.435 174.600 -0.251 0.000 1.161 921 S CA -0.820 57.279 58.200 -0.168 0.000 0.817 921 S CB 0.571 63.738 63.200 -0.055 0.000 1.131 921 S HN 0.111 nan 8.310 nan 0.000 0.467 922 F N 1.641 121.633 119.950 0.070 0.000 2.436 922 F HA 0.440 4.969 4.527 0.003 0.000 0.340 922 F C 1.561 177.382 175.800 0.035 0.000 1.113 922 F CA -0.605 57.429 58.000 0.057 0.000 1.022 922 F CB 1.904 40.941 39.000 0.063 0.000 1.128 922 F HN 0.894 nan 8.300 nan 0.000 0.466 923 E N 0.407 120.742 120.200 0.225 0.000 2.489 923 E HA 0.172 4.523 4.350 0.003 0.000 0.204 923 E C -0.105 176.557 176.600 0.104 0.000 1.006 923 E CA 0.050 56.527 56.400 0.129 0.000 0.936 923 E CB 0.664 30.412 29.700 0.079 0.000 1.002 923 E HN 0.451 nan 8.360 nan 0.000 0.488 924 S N -0.341 115.426 115.700 0.111 0.000 2.596 924 S HA 0.402 4.873 4.470 0.003 0.000 0.270 924 S C 0.327 174.901 174.600 -0.044 0.000 1.155 924 S CA -0.980 57.243 58.200 0.038 0.000 0.827 924 S CB 2.037 65.263 63.200 0.044 0.000 1.130 924 S HN 0.006 nan 8.310 nan 0.000 0.467 925 R N 0.652 121.106 120.500 -0.077 0.000 2.096 925 R HA -0.061 4.281 4.340 0.003 0.000 0.235 925 R C 2.106 178.336 176.300 -0.116 0.000 1.127 925 R CA 1.685 57.692 56.100 -0.154 0.000 0.968 925 R CB -0.359 29.889 30.300 -0.087 0.000 0.861 925 R HN 0.875 nan 8.270 nan 0.000 0.440 926 E N 1.063 121.241 120.200 -0.037 0.000 2.072 926 E HA -0.252 4.099 4.350 0.003 0.000 0.191 926 E C 2.090 178.707 176.600 0.029 0.000 0.985 926 E CA 1.104 57.504 56.400 0.000 0.000 0.801 926 E CB 0.108 29.828 29.700 0.033 0.000 0.750 926 E HN 0.307 nan 8.360 nan 0.000 0.452 927 Q N 0.220 120.058 119.800 0.064 0.000 2.079 927 Q HA -0.180 4.161 4.340 0.003 0.000 0.200 927 Q C 2.358 178.428 176.000 0.117 0.000 0.974 927 Q CA 1.150 57.054 55.803 0.168 0.000 0.840 927 Q CB -0.057 28.848 28.738 0.278 0.000 0.898 927 Q HN 0.317 nan 8.270 nan 0.000 0.430 928 L N 1.364 122.453 121.223 -0.223 0.000 2.046 928 L HA -0.180 4.162 4.340 0.003 0.000 0.208 928 L C 2.304 178.983 176.870 -0.318 0.000 1.077 928 L CA 2.045 56.459 54.840 -0.709 0.000 0.747 928 L CB -0.553 40.967 42.059 -0.898 0.000 0.896 928 L HN 0.125 nan 8.230 nan 0.000 0.432 929 K N -0.451 119.829 120.400 -0.200 0.000 2.057 929 K HA -0.264 4.058 4.320 0.003 0.000 0.207 929 K C 2.156 178.715 176.600 -0.069 0.000 1.049 929 K CA 1.814 58.014 56.287 -0.145 0.000 0.931 929 K CB -0.268 32.163 32.500 -0.115 0.000 0.714 929 K HN 0.562 nan 8.250 nan 0.000 0.440 930 E N 0.102 120.327 120.200 0.041 0.000 2.077 930 E HA -0.159 4.193 4.350 0.003 0.000 0.193 930 E C 1.818 178.525 176.600 0.177 0.000 0.989 930 E CA 1.302 57.798 56.400 0.161 0.000 0.800 930 E CB 0.151 30.018 29.700 0.280 0.000 0.746 930 E HN 0.184 nan 8.360 nan 0.000 0.452 931 V N 1.191 121.225 119.914 0.201 0.000 2.323 931 V HA -0.222 3.900 4.120 0.003 0.000 0.244 931 V C 2.452 178.616 176.094 0.116 0.000 1.041 931 V CA 1.291 63.732 62.300 0.235 0.000 1.025 931 V CB -0.389 31.724 31.823 0.484 0.000 0.656 931 V HN 0.326 nan 8.190 nan 0.000 0.451 932 L N -0.221 121.039 121.223 0.062 0.000 2.042 932 L HA -0.195 4.146 4.340 0.003 0.000 0.210 932 L C 2.633 179.449 176.870 -0.089 0.000 1.076 932 L CA 1.999 56.834 54.840 -0.008 0.000 0.749 932 L CB -1.056 40.938 42.059 -0.108 0.000 0.893 932 L HN 0.359 nan 8.230 nan 0.000 0.432 933 T N -0.972 113.467 114.554 -0.191 0.000 2.708 933 T HA -0.168 4.184 4.350 0.003 0.000 0.266 933 T C 2.138 176.627 174.700 -0.352 0.000 1.037 933 T CA 1.677 63.521 62.100 -0.427 0.000 1.146 933 T CB -0.164 68.240 68.868 -0.774 0.000 0.865 933 T HN 0.288 nan 8.240 nan 0.000 0.435 934 S N 1.349 116.999 115.700 -0.083 0.000 2.370 934 S HA -0.068 4.403 4.470 0.003 0.000 0.226 934 S C 1.934 176.653 174.600 0.199 0.000 1.033 934 S CA 0.866 59.243 58.200 0.296 0.000 1.011 934 S CB -0.476 62.952 63.200 0.379 0.000 0.852 934 S HN 0.273 nan 8.310 nan 0.000 0.457 935 L N 1.581 122.793 121.223 -0.018 0.000 2.044 935 L HA 0.050 4.391 4.340 0.003 0.000 0.205 935 L C 2.205 179.088 176.870 0.022 0.000 1.075 935 L CA 1.482 56.224 54.840 -0.164 0.000 0.747 935 L CB -0.625 41.266 42.059 -0.280 0.000 0.903 935 L HN 0.114 nan 8.230 nan 0.000 0.435 936 V N -0.541 119.432 119.914 0.098 0.000 2.427 936 V HA -0.289 3.832 4.120 0.003 0.000 0.248 936 V C 2.320 178.494 176.094 0.133 0.000 1.051 936 V CA 1.998 64.355 62.300 0.095 0.000 1.048 936 V CB -0.822 30.913 31.823 -0.147 0.000 0.666 936 V HN 0.534 nan 8.190 nan 0.000 0.456 937 F N 1.335 121.299 119.950 0.024 0.000 2.126 937 F HA -0.242 4.286 4.527 0.002 0.000 0.299 937 F C 2.412 178.365 175.800 0.254 0.000 1.096 937 F CA 2.332 60.422 58.000 0.151 0.000 1.255 937 F CB -0.372 38.754 39.000 0.210 0.000 0.997 937 F HN 0.121 nan 8.300 nan 0.000 0.479 938 T N 0.459 115.242 114.554 0.382 0.000 2.737 938 T HA -0.175 4.176 4.350 0.003 0.000 0.265 938 T C 1.823 176.644 174.700 0.202 0.000 1.038 938 T CA 1.669 63.945 62.100 0.293 0.000 1.144 938 T CB -0.805 68.257 68.868 0.324 0.000 0.866 938 T HN 0.268 nan 8.240 nan 0.000 0.434 939 F N 1.859 121.923 119.950 0.189 0.000 2.154 939 F HA -0.208 4.320 4.527 0.002 0.000 0.301 939 F C 2.768 178.686 175.800 0.197 0.000 1.087 939 F CA 1.193 59.294 58.000 0.168 0.000 1.274 939 F CB -0.142 38.972 39.000 0.190 0.000 1.009 939 F HN 0.266 nan 8.300 nan 0.000 0.485 940 S N -1.376 114.541 115.700 0.362 0.000 2.460 940 S HA -0.088 4.384 4.470 0.003 0.000 0.185 940 S C 1.971 176.678 174.600 0.178 0.000 0.908 940 S CA 0.612 58.992 58.200 0.300 0.000 0.894 940 S CB -0.857 62.504 63.200 0.268 0.000 0.855 940 S HN 0.301 nan 8.310 nan 0.000 0.574 941 C N 1.837 121.066 119.300 -0.119 0.000 2.432 941 C HA 0.036 4.498 4.460 0.003 0.000 0.277 941 C C 3.057 177.951 174.990 -0.160 0.000 1.249 941 C CA 1.301 60.153 59.018 -0.277 0.000 1.725 941 C CB -1.393 25.827 27.740 -0.868 0.000 2.028 941 C HN 0.797 nan 8.230 nan 0.000 0.477 942 Q N 0.339 119.998 119.800 -0.235 0.000 2.079 942 Q HA -0.165 4.176 4.340 0.003 0.000 0.200 942 Q C 2.194 178.339 176.000 0.240 0.000 0.974 942 Q CA 1.740 57.638 55.803 0.159 0.000 0.840 942 Q CB -0.759 28.181 28.738 0.336 0.000 0.898 942 Q HN 0.807 nan 8.270 nan 0.000 0.430 943 H N -0.587 118.583 119.070 0.168 0.000 2.352 943 H HA -0.112 4.446 4.556 0.003 0.000 0.299 943 H C 1.606 177.054 175.328 0.200 0.000 1.097 943 H CA 1.593 57.758 56.048 0.195 0.000 1.311 943 H CB 0.053 29.932 29.762 0.196 0.000 1.377 943 H HN 0.405 nan 8.280 nan 0.000 0.504 944 A N 1.285 124.264 122.820 0.265 0.000 1.908 944 A HA -0.131 4.190 4.320 0.003 0.000 0.218 944 A C 2.700 180.423 177.584 0.232 0.000 1.181 944 A CA 1.930 54.216 52.037 0.414 0.000 0.627 944 A CB -1.120 18.191 19.000 0.518 0.000 0.818 944 A HN 0.593 nan 8.150 nan 0.000 0.445 945 A N -0.385 122.578 122.820 0.238 0.000 1.969 945 A HA 0.053 4.374 4.320 0.003 0.000 0.218 945 A C 2.131 179.745 177.584 0.050 0.000 1.169 945 A CA 2.004 54.205 52.037 0.274 0.000 0.635 945 A CB -0.834 18.492 19.000 0.543 0.000 0.810 945 A HN 1.237 nan 8.150 nan 0.000 0.445 946 V N -3.148 116.761 119.914 -0.008 0.000 3.650 946 V HA 0.129 4.250 4.120 0.003 0.000 0.271 946 V C 1.345 177.311 176.094 -0.213 0.000 1.281 946 V CA 1.317 63.596 62.300 -0.035 0.000 1.120 946 V CB -0.458 31.426 31.823 0.102 0.000 0.856 946 V HN 0.610 nan 8.190 nan 0.000 0.443 947 N N 0.211 118.615 118.700 -0.494 0.000 2.591 947 N HA 0.135 4.877 4.740 0.003 0.000 0.200 947 N C 1.448 176.508 175.510 -0.751 0.000 1.040 947 N CA 0.718 53.254 53.050 -0.857 0.000 0.911 947 N CB 0.208 37.854 38.487 -1.402 0.000 1.259 947 N HN 0.509 nan 8.380 nan 0.000 0.438 948 F N 1.690 121.463 119.950 -0.295 0.000 2.780 948 F HA 0.119 4.648 4.527 0.003 0.000 0.299 948 F C 2.298 177.853 175.800 -0.409 0.000 1.146 948 F CA 0.206 58.063 58.000 -0.238 0.000 1.428 948 F CB 0.201 39.181 39.000 -0.033 0.000 1.115 948 F HN 0.090 nan 8.300 nan 0.000 0.583 949 S N -0.814 114.492 115.700 -0.656 0.000 2.561 949 S HA -0.121 4.350 4.470 0.003 0.000 0.225 949 S C 1.602 175.939 174.600 -0.439 0.000 0.977 949 S CA 0.323 57.866 58.200 -1.096 0.000 0.926 949 S CB -0.365 62.202 63.200 -1.056 0.000 0.769 949 S HN 0.484 nan 8.310 nan 0.000 0.533 950 Q N 1.112 120.755 119.800 -0.262 0.000 2.172 950 Q HA -0.005 4.337 4.340 0.003 0.000 0.200 950 Q C 2.229 178.270 176.000 0.069 0.000 0.964 950 Q CA 0.853 56.629 55.803 -0.046 0.000 0.855 950 Q CB -0.147 28.633 28.738 0.069 0.000 0.918 950 Q HN 0.472 nan 8.270 nan 0.000 0.444 951 K N 1.449 121.867 120.400 0.030 0.000 2.026 951 K HA -0.208 4.114 4.320 0.003 0.000 0.208 951 K C 1.142 177.770 176.600 0.046 0.000 1.048 951 K CA 1.665 57.988 56.287 0.060 0.000 0.929 951 K CB -0.093 32.455 32.500 0.080 0.000 0.713 951 K HN 0.137 nan 8.250 nan 0.000 0.439 952 D N -0.427 120.009 120.400 0.060 0.000 2.144 952 D HA -0.158 4.484 4.640 0.003 0.000 0.199 952 D C 2.023 178.343 176.300 0.033 0.000 0.984 952 D CA 1.202 55.244 54.000 0.070 0.000 0.834 952 D CB -0.230 40.681 40.800 0.186 0.000 0.955 952 D HN 0.493 nan 8.370 nan 0.000 0.465 953 H N -1.219 117.770 119.070 -0.135 0.000 2.333 953 H HA -0.054 4.503 4.556 0.003 0.000 0.302 953 H C 1.325 176.477 175.328 -0.293 0.000 1.075 953 H CA 1.549 57.410 56.048 -0.312 0.000 1.348 953 H CB 0.066 29.462 29.762 -0.610 0.000 1.393 953 H HN 0.146 nan 8.280 nan 0.000 0.509 954 Y N -1.276 119.054 120.300 0.051 0.000 2.458 954 Y HA 0.193 4.745 4.550 0.002 0.000 0.254 954 Y C 2.511 178.380 175.900 -0.052 0.000 1.120 954 Y CA 0.021 58.111 58.100 -0.016 0.000 1.282 954 Y CB 0.453 38.913 38.460 0.000 0.000 1.109 954 Y HN 0.314 nan 8.280 nan 0.000 0.526 955 G N 0.930 109.797 108.800 0.112 0.000 2.476 955 G HA2 -0.319 3.642 3.960 0.003 0.000 0.218 955 G HA3 -0.319 3.642 3.960 0.003 0.000 0.218 955 G C 0.254 175.281 174.900 0.211 0.000 1.164 955 G CA 0.454 45.596 45.100 0.071 0.000 0.768 955 G HN 0.267 nan 8.290 nan 0.000 0.560 956 F N 2.072 122.022 119.950 -0.000 0.000 2.375 956 F HA 0.461 4.989 4.527 0.002 0.000 0.362 956 F C 1.501 177.198 175.800 -0.171 0.000 1.129 956 F CA -0.659 57.342 58.000 0.002 0.000 1.154 956 F CB 0.950 39.907 39.000 -0.071 0.000 1.205 956 F HN -0.078 nan 8.300 nan 0.000 0.513 957 T N 6.220 120.319 114.554 -0.758 0.000 2.746 957 T HA -0.078 4.274 4.350 0.003 0.000 0.267 957 T C -0.905 173.253 174.700 -0.903 0.000 1.039 957 T CA 1.657 63.382 62.100 -0.626 0.000 1.142 957 T CB -0.713 67.883 68.868 -0.453 0.000 0.866 957 T HN 0.412 nan 8.240 nan 0.000 0.444 958 P HA -0.037 nan 4.420 nan 0.000 0.225 958 P C 1.247 178.217 177.300 -0.550 0.000 1.148 958 P CA 0.650 63.019 63.100 -1.219 0.000 0.779 958 P CB -0.226 30.458 31.700 -1.694 0.000 0.780 959 N N -0.007 118.439 118.700 -0.423 0.000 2.289 959 N HA -0.099 4.642 4.740 0.003 0.000 0.184 959 N C 0.074 175.539 175.510 -0.075 0.000 1.016 959 N CA 0.963 54.027 53.050 0.023 0.000 0.872 959 N CB 0.101 38.642 38.487 0.092 0.000 0.973 959 N HN -0.056 nan 8.380 nan 0.000 0.433 960 A N 1.087 123.819 122.820 -0.148 0.000 3.068 960 A HA 0.302 4.624 4.320 0.003 0.000 0.269 960 A C -2.777 174.833 177.584 0.044 0.000 1.259 960 A CA -0.907 51.093 52.037 -0.062 0.000 0.938 960 A CB 0.695 19.529 19.000 -0.277 0.000 1.433 960 A HN 0.082 nan 8.150 nan 0.000 0.664 961 P HA 0.403 nan 4.420 nan 0.000 0.271 961 P C 0.569 177.824 177.300 -0.075 0.000 1.218 961 P CA 0.332 63.327 63.100 -0.175 0.000 0.780 961 P CB 1.776 33.271 31.700 -0.342 0.000 0.901 962 A N 2.960 125.715 122.820 -0.108 0.000 2.456 962 A HA 0.354 4.676 4.320 0.003 0.000 0.237 962 A C 0.664 178.183 177.584 -0.109 0.000 1.217 962 A CA 0.112 52.100 52.037 -0.082 0.000 0.962 962 A CB 0.059 18.975 19.000 -0.140 0.000 1.079 962 A HN 0.483 nan 8.150 nan 0.000 0.536 963 I N 1.032 121.515 120.570 -0.146 0.000 2.533 963 I HA 0.418 4.589 4.170 0.003 0.000 0.290 963 I C -1.239 174.769 176.117 -0.182 0.000 1.056 963 I CA -0.573 60.644 61.300 -0.139 0.000 1.057 963 I CB 2.139 40.050 38.000 -0.149 0.000 1.240 963 I HN 0.026 nan 8.210 nan 0.000 0.423 964 L N 5.651 126.779 121.223 -0.158 0.000 2.342 964 L HA 0.568 4.910 4.340 0.003 0.000 0.271 964 L C 0.767 177.624 176.870 -0.022 0.000 1.008 964 L CA -0.683 54.025 54.840 -0.220 0.000 0.818 964 L CB 2.231 43.953 42.059 -0.562 0.000 1.296 964 L HN 0.589 nan 8.230 nan 0.000 0.427 965 R N -0.543 119.905 120.500 -0.087 0.000 2.335 965 R HA 0.220 4.561 4.340 0.003 0.000 0.210 965 R C -0.389 175.715 176.300 -0.327 0.000 0.892 965 R CA 0.002 56.021 56.100 -0.136 0.000 1.048 965 R CB 0.477 30.616 30.300 -0.268 0.000 1.067 965 R HN 0.594 nan 8.270 nan 0.000 0.524 966 H N -0.372 118.686 119.070 -0.019 0.000 2.834 966 H HA 0.320 4.878 4.556 0.003 0.000 0.369 966 H C -2.438 172.575 175.328 -0.525 0.000 1.174 966 H CA -2.251 53.630 56.048 -0.279 0.000 1.165 966 H CB 2.024 31.740 29.762 -0.077 0.000 1.820 966 H HN -0.153 nan 8.280 nan 0.000 0.558 967 P HA 0.090 nan 4.420 nan 0.000 0.274 967 P C -2.536 174.704 177.300 -0.100 0.000 1.246 967 P CA -1.433 61.355 63.100 -0.519 0.000 0.795 967 P CB 0.017 31.474 31.700 -0.404 0.000 1.006 968 P HA 0.232 nan 4.420 nan 0.000 0.273 968 P C -2.302 174.889 177.300 -0.182 0.000 1.250 968 P CA -1.303 61.408 63.100 -0.648 0.000 0.793 968 P CB -1.363 29.600 31.700 -1.228 0.000 1.011 969 P HA 0.240 nan 4.420 nan 0.000 0.277 969 P C 0.064 177.435 177.300 0.119 0.000 1.240 969 P CA -0.191 62.955 63.100 0.076 0.000 0.798 969 P CB 1.035 32.834 31.700 0.165 0.000 0.979 970 K N 0.588 121.054 120.400 0.110 0.000 2.353 970 K HA 0.111 4.433 4.320 0.003 0.000 0.195 970 K C 0.572 177.231 176.600 0.099 0.000 1.031 970 K CA 0.358 56.700 56.287 0.091 0.000 1.079 970 K CB 0.302 32.836 32.500 0.056 0.000 0.857 970 K HN 0.528 nan 8.250 nan 0.000 0.535 971 K N 0.598 121.084 120.400 0.144 0.000 2.482 971 K HA 0.390 4.711 4.320 0.003 0.000 0.257 971 K C -0.835 175.899 176.600 0.223 0.000 0.969 971 K CA -1.031 55.327 56.287 0.118 0.000 0.842 971 K CB 1.970 34.518 32.500 0.080 0.000 1.359 971 K HN -0.310 nan 8.250 nan 0.000 0.441 972 K N 0.077 120.556 120.400 0.131 0.000 2.138 972 K HA 0.246 4.568 4.320 0.003 0.000 0.251 972 K C 0.682 177.413 176.600 0.220 0.000 1.015 972 K CA 0.487 56.913 56.287 0.232 0.000 0.917 972 K CB 0.688 33.202 32.500 0.023 0.000 1.021 972 K HN 0.990 nan 8.250 nan 0.000 0.485 973 G N -0.380 108.580 108.800 0.266 0.000 2.159 973 G HA2 -0.344 3.617 3.960 0.003 0.000 0.256 973 G HA3 -0.344 3.617 3.960 0.003 0.000 0.256 973 G C 0.631 175.629 174.900 0.163 0.000 0.977 973 G CA 0.824 46.036 45.100 0.187 0.000 0.652 973 G HN 0.714 nan 8.290 nan 0.000 0.531 974 E N -0.994 119.311 120.200 0.174 0.000 2.447 974 E HA 0.750 5.102 4.350 0.003 0.000 0.204 974 E C 1.374 178.047 176.600 0.122 0.000 0.977 974 E CA 1.306 57.784 56.400 0.130 0.000 0.950 974 E CB 0.056 29.826 29.700 0.116 0.000 0.975 974 E HN 2.097 nan 8.360 nan 0.000 0.496 975 A N 1.428 124.339 122.820 0.152 0.000 2.477 975 A HA 0.528 4.850 4.320 0.003 0.000 0.246 975 A C 0.843 178.500 177.584 0.121 0.000 1.078 975 A CA 0.607 52.726 52.037 0.137 0.000 0.770 975 A CB -0.126 18.973 19.000 0.164 0.000 1.011 975 A HN 0.632 nan 8.150 nan 0.000 0.494 976 T N 0.176 114.723 114.554 -0.012 0.000 2.916 976 T HA 0.452 4.804 4.350 0.003 0.000 0.292 976 T C 0.854 175.317 174.700 -0.395 0.000 1.064 976 T CA -0.438 61.528 62.100 -0.223 0.000 1.011 976 T CB 0.864 69.668 68.868 -0.106 0.000 1.152 976 T HN 0.664 nan 8.240 nan 0.000 0.510 977 L N 1.166 121.976 121.223 -0.687 0.000 2.013 977 L HA -0.101 4.240 4.340 0.003 0.000 0.212 977 L C 2.993 179.749 176.870 -0.190 0.000 1.073 977 L CA 2.733 57.343 54.840 -0.383 0.000 0.753 977 L CB -1.248 40.626 42.059 -0.308 0.000 0.890 977 L HN 0.906 nan 8.230 nan 0.000 0.432 978 Q N -0.671 119.042 119.800 -0.144 0.000 2.045 978 Q HA -0.243 4.099 4.340 0.003 0.000 0.206 978 Q C 2.629 178.609 176.000 -0.035 0.000 0.991 978 Q CA 2.602 58.363 55.803 -0.070 0.000 0.851 978 Q CB -1.058 27.651 28.738 -0.048 0.000 0.911 978 Q HN 0.936 nan 8.270 nan 0.000 0.418 979 S N -0.291 115.389 115.700 -0.034 0.000 2.383 979 S HA -0.099 4.373 4.470 0.003 0.000 0.227 979 S C 2.019 176.645 174.600 0.044 0.000 1.026 979 S CA 1.453 59.650 58.200 -0.004 0.000 0.981 979 S CB -0.680 62.516 63.200 -0.006 0.000 0.818 979 S HN 0.650 nan 8.310 nan 0.000 0.472 980 I N 1.687 122.292 120.570 0.058 0.000 2.127 980 I HA -0.212 3.960 4.170 0.003 0.000 0.241 980 I C 2.517 178.668 176.117 0.056 0.000 1.075 980 I CA 1.548 62.922 61.300 0.123 0.000 1.334 980 I CB -0.518 37.642 38.000 0.267 0.000 1.040 980 I HN 0.286 nan 8.210 nan 0.000 0.405 981 L N 0.445 121.685 121.223 0.028 0.000 2.089 981 L HA -0.267 4.074 4.340 0.003 0.000 0.213 981 L C 2.639 179.551 176.870 0.069 0.000 1.079 981 L CA 1.939 56.805 54.840 0.044 0.000 0.758 981 L CB -0.719 41.354 42.059 0.023 0.000 0.891 981 L HN 0.415 nan 8.230 nan 0.000 0.433 982 S N -2.843 112.905 115.700 0.079 0.000 2.496 982 S HA -0.056 4.415 4.470 0.003 0.000 0.224 982 S C 1.763 176.467 174.600 0.173 0.000 0.996 982 S CA 0.900 59.178 58.200 0.131 0.000 0.927 982 S CB -0.151 63.146 63.200 0.162 0.000 0.774 982 S HN 0.322 nan 8.310 nan 0.000 0.524 983 T N 2.327 116.965 114.554 0.140 0.000 2.939 983 T HA 0.323 4.675 4.350 0.003 0.000 0.254 983 T C 0.772 175.391 174.700 -0.136 0.000 1.041 983 T CA 0.021 62.160 62.100 0.064 0.000 1.142 983 T CB -0.356 68.554 68.868 0.070 0.000 0.874 983 T HN 0.284 nan 8.240 nan 0.000 0.452 984 L N 2.191 123.303 121.223 -0.185 0.000 2.503 984 L HA 0.085 4.427 4.340 0.003 0.000 0.287 984 L C -2.131 174.656 176.870 -0.139 0.000 1.252 984 L CA -1.463 53.207 54.840 -0.282 0.000 0.835 984 L CB -0.229 41.632 42.059 -0.329 0.000 1.099 984 L HN 0.022 nan 8.230 nan 0.000 0.516 985 P HA 0.017 nan 4.420 nan 0.000 0.268 985 P C -0.584 176.726 177.300 0.017 0.000 1.205 985 P CA -0.345 62.706 63.100 -0.081 0.000 0.771 985 P CB 0.603 32.247 31.700 -0.093 0.000 0.858 986 S N 2.515 118.168 115.700 -0.079 0.000 2.572 986 S HA -0.037 4.435 4.470 0.003 0.000 0.267 986 S C 1.392 175.833 174.600 -0.265 0.000 1.361 986 S CA 0.089 58.191 58.200 -0.162 0.000 1.009 986 S CB 0.282 63.369 63.200 -0.189 0.000 0.888 986 S HN 0.554 nan 8.310 nan 0.000 0.553 987 K N 0.760 120.804 120.400 -0.593 0.000 2.103 987 K HA -0.153 4.168 4.320 0.003 0.000 0.207 987 K C 2.158 178.514 176.600 -0.405 0.000 1.048 987 K CA 1.778 57.564 56.287 -0.834 0.000 0.930 987 K CB -0.799 30.786 32.500 -1.525 0.000 0.716 987 K HN 0.713 nan 8.250 nan 0.000 0.444 988 S N 0.917 116.425 115.700 -0.319 0.000 2.387 988 S HA -0.142 4.330 4.470 0.003 0.000 0.226 988 S C 2.112 176.618 174.600 -0.158 0.000 1.026 988 S CA 0.686 58.763 58.200 -0.205 0.000 0.972 988 S CB -0.221 62.868 63.200 -0.185 0.000 0.814 988 S HN 0.431 nan 8.310 nan 0.000 0.477 989 Q N 1.283 120.984 119.800 -0.164 0.000 2.084 989 Q HA 0.036 4.378 4.340 0.003 0.000 0.202 989 Q C 2.608 178.536 176.000 -0.119 0.000 0.978 989 Q CA 1.543 57.258 55.803 -0.147 0.000 0.844 989 Q CB -0.550 28.097 28.738 -0.153 0.000 0.898 989 Q HN 0.779 nan 8.270 nan 0.000 0.426 990 A N 1.003 123.777 122.820 -0.077 0.000 1.898 990 A HA -0.072 4.249 4.320 0.003 0.000 0.216 990 A C 2.297 179.846 177.584 -0.058 0.000 1.181 990 A CA 1.446 53.469 52.037 -0.024 0.000 0.620 990 A CB -0.766 18.343 19.000 0.181 0.000 0.819 990 A HN 0.389 nan 8.150 nan 0.000 0.442 991 A N -0.131 122.653 122.820 -0.060 0.000 1.933 991 A HA -0.168 4.153 4.320 0.003 0.000 0.218 991 A C 2.109 179.642 177.584 -0.085 0.000 1.175 991 A CA 1.844 53.862 52.037 -0.032 0.000 0.628 991 A CB -0.401 18.611 19.000 0.020 0.000 0.814 991 A HN 0.543 nan 8.150 nan 0.000 0.444 992 K N -0.413 119.934 120.400 -0.088 0.000 2.097 992 K HA 0.014 4.335 4.320 0.003 0.000 0.205 992 K C 2.322 178.836 176.600 -0.144 0.000 1.050 992 K CA 0.906 57.136 56.287 -0.095 0.000 0.938 992 K CB -0.304 32.139 32.500 -0.096 0.000 0.718 992 K HN 0.435 nan 8.250 nan 0.000 0.442 993 A N 1.519 124.238 122.820 -0.169 0.000 1.883 993 A HA -0.192 4.130 4.320 0.003 0.000 0.217 993 A C 2.114 179.554 177.584 -0.240 0.000 1.186 993 A CA 1.492 53.401 52.037 -0.214 0.000 0.624 993 A CB -0.596 18.271 19.000 -0.221 0.000 0.822 993 A HN 0.183 nan 8.150 nan 0.000 0.444 994 I N -0.510 119.889 120.570 -0.285 0.000 2.286 994 I HA -0.218 3.954 4.170 0.003 0.000 0.245 994 I C 2.964 178.696 176.117 -0.643 0.000 1.104 994 I CA 0.894 61.930 61.300 -0.440 0.000 1.397 994 I CB -0.297 37.353 38.000 -0.584 0.000 1.072 994 I HN 0.349 nan 8.210 nan 0.000 0.417 995 A N 0.351 122.783 122.820 -0.646 0.000 1.883 995 A HA -0.252 4.069 4.320 0.003 0.000 0.217 995 A C 2.387 179.927 177.584 -0.073 0.000 1.186 995 A CA 2.656 54.452 52.037 -0.403 0.000 0.624 995 A CB -1.238 17.755 19.000 -0.012 0.000 0.822 995 A HN 0.385 nan 8.150 nan 0.000 0.444 996 T N -0.373 114.128 114.554 -0.089 0.000 2.684 996 T HA -0.152 4.199 4.350 0.003 0.000 0.267 996 T C 1.858 176.542 174.700 -0.027 0.000 1.036 996 T CA 1.723 63.802 62.100 -0.036 0.000 1.148 996 T CB -0.508 68.311 68.868 -0.082 0.000 0.863 996 T HN 0.157 nan 8.240 nan 0.000 0.436 997 V N 0.454 120.318 119.914 -0.084 0.000 2.407 997 V HA -0.162 3.960 4.120 0.003 0.000 0.248 997 V C 2.009 178.113 176.094 0.017 0.000 1.055 997 V CA 1.627 63.900 62.300 -0.045 0.000 1.049 997 V CB -0.692 31.108 31.823 -0.038 0.000 0.662 997 V HN 0.547 nan 8.190 nan 0.000 0.455 998 Y N 0.608 120.849 120.300 -0.099 0.000 2.163 998 Y HA -0.200 4.351 4.550 0.003 0.000 0.288 998 Y C 2.185 178.135 175.900 0.083 0.000 1.136 998 Y CA 1.651 59.764 58.100 0.022 0.000 1.147 998 Y CB -0.261 38.260 38.460 0.101 0.000 0.987 998 Y HN 0.209 nan 8.280 nan 0.000 0.509 999 I N 0.023 120.616 120.570 0.038 0.000 2.179 999 I HA -0.335 3.836 4.170 0.003 0.000 0.242 999 I C 2.145 178.275 176.117 0.022 0.000 1.088 999 I CA 1.491 62.786 61.300 -0.008 0.000 1.357 999 I CB -0.435 37.636 38.000 0.117 0.000 1.051 999 I HN 0.225 nan 8.210 nan 0.000 0.409 1000 L N 0.086 121.335 121.223 0.043 0.000 2.465 1000 L HA -0.066 4.276 4.340 0.003 0.000 0.224 1000 L C 1.805 178.640 176.870 -0.057 0.000 1.145 1000 L CA 1.172 56.048 54.840 0.061 0.000 0.834 1000 L CB -0.721 41.373 42.059 0.058 0.000 0.944 1000 L HN 0.434 nan 8.230 nan 0.000 0.451 1001 T N -4.675 109.820 114.554 -0.098 0.000 3.132 1001 T HA 0.085 4.437 4.350 0.003 0.000 0.274 1001 T C 0.486 175.144 174.700 -0.070 0.000 1.011 1001 T CA -0.438 61.601 62.100 -0.102 0.000 0.899 1001 T CB 0.113 68.946 68.868 -0.058 0.000 1.089 1001 T HN 0.001 nan 8.240 nan 0.000 0.543 1002 K N 1.688 122.027 120.400 -0.102 0.000 2.316 1002 K HA 0.364 4.685 4.320 0.003 0.000 0.289 1002 K C -1.007 175.595 176.600 0.003 0.000 1.070 1002 K CA -0.756 55.457 56.287 -0.124 0.000 0.928 1002 K CB 0.088 32.463 32.500 -0.208 0.000 1.039 1002 K HN 0.245 nan 8.250 nan 0.000 0.480 1003 F N 2.853 122.895 119.950 0.153 0.000 2.495 1003 F HA 0.005 4.533 4.527 0.003 0.000 0.365 1003 F C 1.230 177.070 175.800 0.067 0.000 1.090 1003 F CA -0.310 57.755 58.000 0.109 0.000 1.235 1003 F CB 0.804 39.857 39.000 0.088 0.000 1.119 1003 F HN 0.502 nan 8.300 nan 0.000 0.562 1004 S N 1.429 117.264 115.700 0.225 0.000 2.592 1004 S HA 0.127 4.599 4.470 0.003 0.000 0.271 1004 S C 0.810 175.471 174.600 0.101 0.000 1.326 1004 S CA -0.884 57.379 58.200 0.105 0.000 1.024 1004 S CB 1.284 64.491 63.200 0.011 0.000 0.921 1004 S HN 0.614 nan 8.310 nan 0.000 0.527 1005 E N 1.041 121.283 120.200 0.071 0.000 2.209 1005 E HA -0.113 4.238 4.350 0.003 0.000 0.196 1005 E C 1.167 177.783 176.600 0.026 0.000 0.993 1005 E CA 1.481 57.915 56.400 0.057 0.000 0.819 1005 E CB -0.246 29.481 29.700 0.044 0.000 0.745 1005 E HN 0.864 nan 8.360 nan 0.000 0.477 1006 D N -0.046 120.355 120.400 0.002 0.000 2.342 1006 D HA -0.023 4.618 4.640 0.003 0.000 0.221 1006 D C -0.094 176.150 176.300 -0.093 0.000 1.101 1006 D CA -0.191 53.786 54.000 -0.037 0.000 0.837 1006 D CB -0.213 40.562 40.800 -0.042 0.000 0.938 1006 D HN -0.055 nan 8.370 nan 0.000 0.508 1007 E N 1.187 121.319 120.200 -0.114 0.000 2.502 1007 E HA 0.028 4.379 4.350 0.003 0.000 0.261 1007 E C -0.295 176.040 176.600 -0.441 0.000 0.974 1007 E CA 0.381 56.592 56.400 -0.314 0.000 0.936 1007 E CB 0.485 29.877 29.700 -0.513 0.000 0.926 1007 E HN 0.123 nan 8.360 nan 0.000 0.459 1008 R N 3.451 123.693 120.500 -0.429 0.000 2.445 1008 R HA 0.312 4.653 4.340 0.003 0.000 0.308 1008 R C -0.783 175.265 176.300 -0.419 0.000 0.961 1008 R CA -0.639 55.266 56.100 -0.325 0.000 0.862 1008 R CB 1.004 31.191 30.300 -0.188 0.000 1.144 1008 R HN 0.526 nan 8.270 nan 0.000 0.447 1009 Y N 0.995 121.235 120.300 -0.100 0.000 2.480 1009 Y HA 0.218 4.770 4.550 0.002 0.000 0.323 1009 Y C 0.445 176.281 175.900 -0.107 0.000 1.267 1009 Y CA -1.035 57.004 58.100 -0.101 0.000 1.336 1009 Y CB 0.533 38.891 38.460 -0.170 0.000 1.361 1009 Y HN 0.345 nan 8.280 nan 0.000 0.518 1010 L N 2.171 123.452 121.223 0.098 0.000 2.700 1010 L HA 0.184 4.526 4.340 0.003 0.000 0.276 1010 L C 1.014 177.746 176.870 -0.230 0.000 1.200 1010 L CA 1.569 56.421 54.840 0.019 0.000 0.951 1010 L CB -0.695 41.392 42.059 0.047 0.000 1.226 1010 L HN 0.861 nan 8.230 nan 0.000 0.489 1011 G N 2.856 111.427 108.800 -0.383 0.000 2.176 1011 G HA2 -0.320 3.641 3.960 0.003 0.000 0.253 1011 G HA3 -0.320 3.641 3.960 0.003 0.000 0.253 1011 G C 0.421 174.739 174.900 -0.970 0.000 0.979 1011 G CA 0.216 44.733 45.100 -0.971 0.000 0.641 1011 G HN 0.893 nan 8.290 nan 0.000 0.530 1012 N N 0.390 118.788 118.700 -0.504 0.000 2.402 1012 N HA 0.337 5.078 4.740 0.003 0.000 0.259 1012 N C -0.074 175.375 175.510 -0.101 0.000 1.167 1012 N CA -0.286 52.611 53.050 -0.256 0.000 0.949 1012 N CB -0.046 38.370 38.487 -0.119 0.000 1.212 1012 N HN 0.182 nan 8.380 nan 0.000 0.493 1013 Y N 0.983 121.259 120.300 -0.040 0.000 2.720 1013 Y HA 0.131 4.682 4.550 0.003 0.000 0.277 1013 Y C 1.908 177.783 175.900 -0.042 0.000 1.144 1013 Y CA -0.731 57.356 58.100 -0.021 0.000 1.221 1013 Y CB -0.587 37.913 38.460 0.067 0.000 1.163 1013 Y HN 0.565 nan 8.280 nan 0.000 0.537 1014 S N -0.775 114.978 115.700 0.089 0.000 2.474 1014 S HA -0.007 4.465 4.470 0.003 0.000 0.235 1014 S C 1.510 176.121 174.600 0.017 0.000 0.997 1014 S CA 0.734 58.965 58.200 0.053 0.000 0.949 1014 S CB -0.032 63.192 63.200 0.040 0.000 0.766 1014 S HN 0.281 nan 8.310 nan 0.000 0.517 1015 A N 1.789 124.579 122.820 -0.049 0.000 2.965 1015 A HA 0.539 4.860 4.320 0.003 0.000 0.304 1015 A C 0.638 177.895 177.584 -0.545 0.000 1.214 1015 A CA -0.260 51.698 52.037 -0.133 0.000 0.977 1015 A CB -0.408 18.607 19.000 0.025 0.000 1.127 1015 A HN 0.544 nan 8.150 nan 0.000 0.572 1016 T N -4.365 109.798 114.554 -0.652 0.000 2.949 1016 T HA 0.658 5.009 4.350 0.003 0.000 0.287 1016 T C 0.607 174.711 174.700 -0.995 0.000 1.034 1016 T CA -0.023 61.670 62.100 -0.678 0.000 1.018 1016 T CB 1.885 70.573 68.868 -0.300 0.000 1.135 1016 T HN 0.569 nan 8.240 nan 0.000 0.532 1017 A N -0.306 122.076 122.820 -0.730 0.000 2.423 1017 A HA 0.349 4.671 4.320 0.003 0.000 0.246 1017 A C -0.002 177.452 177.584 -0.217 0.000 1.278 1017 A CA -1.014 50.785 52.037 -0.397 0.000 0.903 1017 A CB -0.737 18.148 19.000 -0.192 0.000 0.997 1017 A HN 0.794 nan 8.150 nan 0.000 0.510 1018 W N 0.532 121.767 121.300 -0.108 0.000 2.210 1018 W HA 0.263 4.924 4.660 0.002 0.000 0.330 1018 W C 0.943 177.479 176.519 0.029 0.000 1.334 1018 W CA -0.348 56.985 57.345 -0.020 0.000 1.227 1018 W CB 0.691 30.149 29.460 -0.004 0.000 1.178 1018 W HN 0.266 nan 8.180 nan 0.000 0.560 1019 E N 0.785 121.179 120.200 0.324 0.000 2.441 1019 E HA -0.072 4.279 4.350 0.003 0.000 0.212 1019 E C 0.021 176.733 176.600 0.186 0.000 0.840 1019 E CA 0.150 56.672 56.400 0.203 0.000 1.143 1019 E CB -0.108 29.673 29.700 0.135 0.000 1.153 1019 E HN 0.480 nan 8.360 nan 0.000 0.539 1020 D N 1.979 122.535 120.400 0.260 0.000 2.450 1020 D HA -0.039 4.603 4.640 0.003 0.000 0.247 1020 D C 0.887 177.233 176.300 0.076 0.000 1.162 1020 D CA 0.214 54.312 54.000 0.164 0.000 0.879 1020 D CB 1.182 42.129 40.800 0.245 0.000 1.163 1020 D HN -0.260 nan 8.370 nan 0.000 0.472 1021 K N 2.961 123.374 120.400 0.021 0.000 2.147 1021 K HA -0.099 4.222 4.320 0.003 0.000 0.205 1021 K C 1.336 177.917 176.600 -0.032 0.000 1.049 1021 K CA 1.234 57.521 56.287 -0.000 0.000 0.936 1021 K CB -0.177 32.318 32.500 -0.010 0.000 0.722 1021 K HN 0.582 nan 8.250 nan 0.000 0.446 1022 D N 0.263 120.620 120.400 -0.071 0.000 2.144 1022 D HA -0.009 4.633 4.640 0.003 0.000 0.200 1022 D C 1.983 178.214 176.300 -0.115 0.000 0.978 1022 D CA 1.358 55.297 54.000 -0.102 0.000 0.833 1022 D CB -0.264 40.439 40.800 -0.161 0.000 0.961 1022 D HN 0.354 nan 8.370 nan 0.000 0.470 1023 A N 1.175 123.914 122.820 -0.135 0.000 1.898 1023 A HA -0.106 4.215 4.320 0.003 0.000 0.216 1023 A C 2.412 179.880 177.584 -0.193 0.000 1.181 1023 A CA 0.760 52.648 52.037 -0.248 0.000 0.620 1023 A CB -0.771 18.008 19.000 -0.368 0.000 0.819 1023 A HN 0.167 nan 8.150 nan 0.000 0.442 1024 L N -0.429 120.741 121.223 -0.087 0.000 2.079 1024 L HA -0.215 4.126 4.340 0.003 0.000 0.210 1024 L C 2.032 178.899 176.870 -0.005 0.000 1.081 1024 L CA 1.544 56.369 54.840 -0.024 0.000 0.752 1024 L CB -0.746 41.328 42.059 0.025 0.000 0.896 1024 L HN 0.336 nan 8.230 nan 0.000 0.433 1025 D N 0.130 120.523 120.400 -0.012 0.000 2.144 1025 D HA -0.116 4.525 4.640 0.003 0.000 0.200 1025 D C 2.242 178.562 176.300 0.033 0.000 0.978 1025 D CA 1.417 55.419 54.000 0.003 0.000 0.833 1025 D CB 0.056 40.849 40.800 -0.010 0.000 0.961 1025 D HN 0.295 nan 8.370 nan 0.000 0.470 1026 A N 0.874 123.720 122.820 0.043 0.000 1.902 1026 A HA -0.141 4.180 4.320 0.003 0.000 0.217 1026 A C 2.371 180.111 177.584 0.260 0.000 1.181 1026 A CA 0.845 52.976 52.037 0.156 0.000 0.623 1026 A CB -0.704 18.375 19.000 0.132 0.000 0.818 1026 A HN 0.186 nan 8.150 nan 0.000 0.443 1027 I N 0.143 120.829 120.570 0.193 0.000 2.163 1027 I HA -0.305 3.866 4.170 0.003 0.000 0.243 1027 I C 2.167 178.296 176.117 0.020 0.000 1.085 1027 I CA 1.344 62.685 61.300 0.068 0.000 1.347 1027 I CB -0.550 37.511 38.000 0.103 0.000 1.044 1027 I HN 0.311 nan 8.210 nan 0.000 0.408 1028 N N 0.998 119.713 118.700 0.025 0.000 2.061 1028 N HA -0.185 4.557 4.740 0.003 0.000 0.193 1028 N C 1.917 177.426 175.510 -0.001 0.000 1.030 1028 N CA 1.410 54.458 53.050 -0.004 0.000 0.856 1028 N CB -0.379 38.111 38.487 0.004 0.000 1.023 1028 N HN 0.365 nan 8.380 nan 0.000 0.424 1029 R N -0.528 120.001 120.500 0.048 0.000 2.075 1029 R HA -0.062 4.280 4.340 0.003 0.000 0.232 1029 R C 2.017 178.375 176.300 0.097 0.000 1.126 1029 R CA 0.806 56.946 56.100 0.066 0.000 0.963 1029 R CB -0.433 29.923 30.300 0.093 0.000 0.858 1029 R HN 0.200 nan 8.270 nan 0.000 0.435 1030 F N 2.293 122.186 119.950 -0.095 0.000 2.102 1030 F HA -0.178 4.351 4.527 0.003 0.000 0.298 1030 F C 2.094 177.778 175.800 -0.194 0.000 1.105 1030 F CA 1.552 59.445 58.000 -0.178 0.000 1.239 1030 F CB -0.346 38.350 39.000 -0.505 0.000 0.991 1030 F HN -0.050 nan 8.300 nan 0.000 0.474 1031 Q N -0.131 119.447 119.800 -0.369 0.000 2.084 1031 Q HA -0.215 4.127 4.340 0.003 0.000 0.202 1031 Q C 1.857 177.699 176.000 -0.264 0.000 0.978 1031 Q CA 1.766 57.311 55.803 -0.430 0.000 0.844 1031 Q CB -0.362 28.201 28.738 -0.292 0.000 0.898 1031 Q HN 0.370 nan 8.270 nan 0.000 0.426 1032 D N 0.099 120.409 120.400 -0.149 0.000 2.117 1032 D HA -0.156 4.486 4.640 0.003 0.000 0.197 1032 D C 1.868 178.118 176.300 -0.083 0.000 0.987 1032 D CA 1.234 55.178 54.000 -0.093 0.000 0.829 1032 D CB -0.210 40.562 40.800 -0.047 0.000 0.961 1032 D HN 0.004 nan 8.370 nan 0.000 0.460 1033 K N 0.356 120.716 120.400 -0.066 0.000 2.057 1033 K HA -0.023 4.299 4.320 0.003 0.000 0.206 1033 K C 2.379 178.932 176.600 -0.079 0.000 1.050 1033 K CA 0.439 56.709 56.287 -0.029 0.000 0.935 1033 K CB -0.825 31.710 32.500 0.058 0.000 0.715 1033 K HN 0.260 nan 8.250 nan 0.000 0.439 1034 L N 0.597 121.701 121.223 -0.198 0.000 2.083 1034 L HA -0.107 4.235 4.340 0.003 0.000 0.209 1034 L C 3.001 179.781 176.870 -0.150 0.000 1.083 1034 L CA 2.231 56.939 54.840 -0.219 0.000 0.752 1034 L CB -0.535 41.269 42.059 -0.426 0.000 0.899 1034 L HN 0.509 nan 8.230 nan 0.000 0.433 1035 E N 0.139 120.248 120.200 -0.151 0.000 2.110 1035 E HA -0.242 4.110 4.350 0.003 0.000 0.193 1035 E C 1.681 178.238 176.600 -0.071 0.000 0.988 1035 E CA 1.218 57.552 56.400 -0.110 0.000 0.804 1035 E CB 0.134 29.771 29.700 -0.105 0.000 0.745 1035 E HN 0.429 nan 8.360 nan 0.000 0.458 1036 D N 0.348 120.715 120.400 -0.056 0.000 2.117 1036 D HA -0.157 4.484 4.640 0.003 0.000 0.197 1036 D C 2.061 178.349 176.300 -0.021 0.000 0.987 1036 D CA 1.008 54.991 54.000 -0.030 0.000 0.829 1036 D CB -0.100 40.691 40.800 -0.014 0.000 0.961 1036 D HN 0.306 nan 8.370 nan 0.000 0.460 1037 I N 0.897 121.455 120.570 -0.020 0.000 2.252 1037 I HA -0.235 3.937 4.170 0.003 0.000 0.245 1037 I C 2.482 178.592 176.117 -0.011 0.000 1.102 1037 I CA 0.644 61.944 61.300 -0.001 0.000 1.385 1037 I CB -0.076 37.933 38.000 0.014 0.000 1.064 1037 I HN -0.121 nan 8.210 nan 0.000 0.414 1038 S N 0.646 116.323 115.700 -0.038 0.000 2.365 1038 S HA -0.232 4.239 4.470 0.003 0.000 0.225 1038 S C 1.963 176.538 174.600 -0.041 0.000 1.039 1038 S CA 1.454 59.624 58.200 -0.049 0.000 1.033 1038 S CB -0.242 62.911 63.200 -0.079 0.000 0.887 1038 S HN 0.370 nan 8.310 nan 0.000 0.447 1039 K N 1.051 121.428 120.400 -0.039 0.000 2.026 1039 K HA -0.085 4.237 4.320 0.003 0.000 0.208 1039 K C 2.206 178.794 176.600 -0.020 0.000 1.048 1039 K CA 1.213 57.481 56.287 -0.032 0.000 0.929 1039 K CB -0.179 32.303 32.500 -0.029 0.000 0.713 1039 K HN 0.284 nan 8.250 nan 0.000 0.439 1040 K N 0.679 121.074 120.400 -0.009 0.000 2.103 1040 K HA -0.112 4.209 4.320 0.003 0.000 0.207 1040 K C 2.117 178.720 176.600 0.005 0.000 1.048 1040 K CA 1.243 57.532 56.287 0.003 0.000 0.930 1040 K CB -0.161 32.348 32.500 0.014 0.000 0.716 1040 K HN 0.137 nan 8.250 nan 0.000 0.444 1041 I N 1.171 121.745 120.570 0.006 0.000 2.252 1041 I HA -0.270 3.902 4.170 0.003 0.000 0.245 1041 I C 2.110 178.216 176.117 -0.018 0.000 1.102 1041 I CA 1.330 62.635 61.300 0.009 0.000 1.385 1041 I CB -0.121 37.893 38.000 0.023 0.000 1.064 1041 I HN 0.105 nan 8.210 nan 0.000 0.414 1042 K N 0.454 120.837 120.400 -0.028 0.000 2.057 1042 K HA -0.192 4.130 4.320 0.003 0.000 0.206 1042 K C 2.151 178.731 176.600 -0.033 0.000 1.050 1042 K CA 1.256 57.519 56.287 -0.040 0.000 0.935 1042 K CB -0.132 32.340 32.500 -0.045 0.000 0.715 1042 K HN 0.355 nan 8.250 nan 0.000 0.439 1043 Q N 0.282 120.068 119.800 -0.024 0.000 2.077 1043 Q HA -0.193 4.148 4.340 0.003 0.000 0.206 1043 Q C 2.264 178.253 176.000 -0.018 0.000 0.989 1043 Q CA 1.227 57.020 55.803 -0.017 0.000 0.853 1043 Q CB -0.156 28.577 28.738 -0.008 0.000 0.907 1043 Q HN 0.165 nan 8.270 nan 0.000 0.418 1044 R N 0.946 121.434 120.500 -0.020 0.000 2.091 1044 R HA -0.133 4.208 4.340 0.003 0.000 0.238 1044 R C 1.501 177.757 176.300 -0.073 0.000 1.136 1044 R CA 1.419 57.498 56.100 -0.035 0.000 0.959 1044 R CB -0.348 29.934 30.300 -0.030 0.000 0.856 1044 R HN 0.308 nan 8.270 nan 0.000 0.437 1045 N N 1.412 120.066 118.700 -0.076 0.000 2.309 1045 N HA -0.166 4.575 4.740 0.003 0.000 0.182 1045 N C 1.398 176.874 175.510 -0.057 0.000 1.018 1045 N CA 1.468 54.466 53.050 -0.087 0.000 0.876 1045 N CB -0.182 38.259 38.487 -0.076 0.000 0.972 1045 N HN 0.562 nan 8.380 nan 0.000 0.434 1046 E N -0.243 119.933 120.200 -0.039 0.000 2.409 1046 E HA -0.027 4.324 4.350 0.003 0.000 0.198 1046 E C 0.315 176.907 176.600 -0.014 0.000 1.024 1046 E CA 0.683 57.068 56.400 -0.026 0.000 0.861 1046 E CB -0.147 29.541 29.700 -0.021 0.000 0.788 1046 E HN 0.246 nan 8.360 nan 0.000 0.521 1047 N N 0.680 119.373 118.700 -0.013 0.000 2.230 1047 N HA 0.177 4.919 4.740 0.003 0.000 0.202 1047 N C -0.282 175.239 175.510 0.020 0.000 1.119 1047 N CA 0.198 53.252 53.050 0.007 0.000 0.851 1047 N CB 0.782 39.279 38.487 0.017 0.000 0.990 1047 N HN 0.189 nan 8.380 nan 0.000 0.497 1048 L N 0.406 121.629 121.223 -0.000 0.000 2.331 1048 L HA 0.282 4.624 4.340 0.003 0.000 0.275 1048 L C 1.736 178.636 176.870 0.050 0.000 1.022 1048 L CA -0.481 54.377 54.840 0.029 0.000 0.812 1048 L CB 2.287 44.318 42.059 -0.047 0.000 1.257 1048 L HN -0.034 nan 8.230 nan 0.000 0.435 1049 E N 1.132 121.399 120.200 0.112 0.000 2.110 1049 E HA -0.086 4.266 4.350 0.003 0.000 0.193 1049 E C -0.236 176.349 176.600 -0.026 0.000 0.988 1049 E CA 0.885 57.327 56.400 0.071 0.000 0.804 1049 E CB 0.453 30.255 29.700 0.169 0.000 0.745 1049 E HN 0.356 nan 8.360 nan 0.000 0.458 1050 V N 2.780 122.701 119.914 0.013 0.000 2.357 1050 V HA 0.260 4.382 4.120 0.003 0.000 0.281 1050 V C -2.405 173.733 176.094 0.073 0.000 1.015 1050 V CA -1.668 60.612 62.300 -0.033 0.000 0.827 1050 V CB 1.288 33.027 31.823 -0.140 0.000 1.018 1050 V HN 0.109 nan 8.190 nan 0.000 0.432 1051 P HA -0.010 nan 4.420 nan 0.000 0.264 1051 P C -1.045 176.249 177.300 -0.010 0.000 1.183 1051 P CA 0.234 63.316 63.100 -0.031 0.000 0.763 1051 P CB 0.182 31.841 31.700 -0.067 0.000 0.807 1052 Y N 4.698 124.906 120.300 -0.152 0.000 2.434 1052 Y HA 0.332 4.883 4.550 0.002 0.000 0.341 1052 Y C 1.032 176.780 175.900 -0.254 0.000 0.965 1052 Y CA -0.180 57.816 58.100 -0.174 0.000 1.205 1052 Y CB 0.115 38.599 38.460 0.039 0.000 1.121 1052 Y HN 0.302 nan 8.280 nan 0.000 0.507 1053 I N 1.277 121.319 120.570 -0.880 0.000 4.139 1053 I HA 0.092 4.264 4.170 0.003 0.000 0.335 1053 I C 0.259 176.096 176.117 -0.466 0.000 1.327 1053 I CA -0.052 60.938 61.300 -0.516 0.000 1.112 1053 I CB -0.090 37.711 38.000 -0.333 0.000 1.058 1053 I HN 0.463 nan 8.210 nan 0.000 0.396 1054 Y N 1.600 121.646 120.300 -0.424 0.000 2.497 1054 Y HA 0.107 4.659 4.550 0.003 0.000 0.292 1054 Y C 1.770 177.655 175.900 -0.025 0.000 1.137 1054 Y CA 0.554 58.551 58.100 -0.171 0.000 1.285 1054 Y CB -0.143 38.222 38.460 -0.158 0.000 0.991 1054 Y HN 0.192 nan 8.280 nan 0.000 0.556 1055 L N 0.475 121.737 121.223 0.064 0.000 2.872 1055 L HA 0.212 4.553 4.340 0.003 0.000 0.245 1055 L C -0.245 176.681 176.870 0.093 0.000 1.211 1055 L CA -0.186 54.760 54.840 0.176 0.000 1.013 1055 L CB 0.118 42.374 42.059 0.328 0.000 1.326 1055 L HN 0.149 nan 8.230 nan 0.000 0.525 1056 L N 1.519 122.748 121.223 0.011 0.000 2.462 1056 L HA 0.060 4.401 4.340 0.003 0.000 0.272 1056 L C -1.070 175.773 176.870 -0.045 0.000 1.166 1056 L CA -1.256 53.563 54.840 -0.034 0.000 0.880 1056 L CB 0.772 42.774 42.059 -0.095 0.000 1.142 1056 L HN -0.113 nan 8.230 nan 0.000 0.473 1057 P HA -0.227 nan 4.420 nan 0.000 0.217 1057 P C 1.075 178.309 177.300 -0.110 0.000 1.148 1057 P CA 1.176 64.240 63.100 -0.061 0.000 0.828 1057 P CB 0.106 31.742 31.700 -0.107 0.000 0.783 1058 E N -0.389 119.688 120.200 -0.205 0.000 2.478 1058 E HA -0.108 4.244 4.350 0.003 0.000 0.198 1058 E C 1.350 177.502 176.600 -0.747 0.000 1.046 1058 E CA 0.582 56.751 56.400 -0.385 0.000 0.870 1058 E CB -0.295 29.199 29.700 -0.342 0.000 0.818 1058 E HN 0.287 nan 8.360 nan 0.000 0.527 1059 R N 0.358 120.581 120.500 -0.461 0.000 2.476 1059 R HA 0.371 4.713 4.340 0.003 0.000 0.276 1059 R C 0.132 176.394 176.300 -0.064 0.000 0.941 1059 R CA -0.149 55.664 56.100 -0.477 0.000 1.088 1059 R CB 0.785 30.952 30.300 -0.221 0.000 1.216 1059 R HN 0.137 nan 8.270 nan 0.000 0.533 1060 I N 3.014 123.660 120.570 0.126 0.000 2.328 1060 I HA 0.268 4.440 4.170 0.003 0.000 0.287 1060 I C -2.376 173.955 176.117 0.357 0.000 1.012 1060 I CA -2.567 58.892 61.300 0.265 0.000 1.195 1060 I CB 1.667 39.780 38.000 0.189 0.000 1.350 1060 I HN -0.328 nan 8.210 nan 0.000 0.464 1061 P HA 0.100 nan 4.420 nan 0.000 0.269 1061 P C 0.317 177.756 177.300 0.232 0.000 1.209 1061 P CA -0.171 63.026 63.100 0.161 0.000 0.776 1061 P CB 0.565 32.422 31.700 0.262 0.000 0.876 1062 N N 0.520 119.310 118.700 0.150 0.000 2.184 1062 N HA -0.116 4.625 4.740 0.003 0.000 0.190 1062 N C 1.110 176.856 175.510 0.394 0.000 1.011 1062 N CA 1.531 54.745 53.050 0.272 0.000 0.867 1062 N CB -0.310 38.202 38.487 0.042 0.000 0.993 1062 N HN 0.544 nan 8.380 nan 0.000 0.433 1063 G N -1.813 107.155 108.800 0.280 0.000 3.042 1063 G HA2 0.451 4.412 3.960 0.003 0.000 0.278 1063 G HA3 0.451 4.412 3.960 0.003 0.000 0.278 1063 G C -1.165 173.873 174.900 0.231 0.000 1.371 1063 G CA -0.339 44.895 45.100 0.223 0.000 1.009 1063 G HN -0.062 nan 8.290 nan 0.000 0.523 1064 T N 0.793 115.402 114.554 0.092 0.000 2.929 1064 T HA 0.521 4.873 4.350 0.003 0.000 0.331 1064 T C 0.622 175.250 174.700 -0.120 0.000 1.120 1064 T CA 0.402 62.352 62.100 -0.251 0.000 0.973 1064 T CB 1.025 69.640 68.868 -0.421 0.000 1.036 1064 T HN 0.810 nan 8.240 nan 0.000 0.502 1065 A N 3.401 126.270 122.820 0.083 0.000 2.551 1065 A HA 0.660 4.981 4.320 0.003 0.000 0.252 1065 A C 0.118 177.934 177.584 0.387 0.000 1.199 1065 A CA -0.066 52.114 52.037 0.238 0.000 0.972 1065 A CB 0.292 19.444 19.000 0.253 0.000 1.153 1065 A HN 0.612 nan 8.150 nan 0.000 0.559 1066 I N 0.000 120.813 120.570 0.405 0.000 2.984 1066 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1066 I CA 0.000 61.580 61.300 0.466 0.000 1.566 1066 I CB 0.000 38.227 38.000 0.379 0.000 1.214 1066 I HN 0.000 nan 8.210 nan 0.000 0.494