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 2obe_1_C DATA FIRST_RESID 5 DATA SEQUENCE MLPQWAYMHI AGQDASEYLS PGLVQFARAT DTYFSLGNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFVPVDRED NTYSYKVRYT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPSFKP YSGTAYNSLA PKGAPNTCQW TYKXXXXXXT EKTYTYGNAP DATA SEQUENCE VQGINITKDG IQLGTDTDDQ PIYADKTYQP EPQVGDAEWH XXXXXXEKYG DATA SEQUENCE GRALKPDTKM KPCYGSFAKP TNKEGGQANV KTGTGTTKEY DIDMAFFDNR DATA SEQUENCE SAAAAGLAPE IVLYTENVDL ETPDTHIVYK AGTDDSSSSI NLGQQAMPNR DATA SEQUENCE PNYIGFRDNF IGLMYYNSTG NMGVLAGQAS QLNAVVDLQD RNTELSYQLL DATA SEQUENCE LDSLGDRTRY FSMWNQAVDS YDPDVRIIEN HGVEDELPNY CFPLDAVGRT DATA SEQUENCE DTYQGIKANX XXXTTWTKDD SVNDANEIGK GNPFAMEINI QANLWRNFLY DATA SEQUENCE ANVALYLPDS YKYTPANVTL PTNTNTYDYM NGRVVAPSLV DSYINIGARW DATA SEQUENCE SLDPMDNVNP FNHHRNAGLR YRSMLLGNGR YVPFHIQVPQ KFFAIKSLLL DATA SEQUENCE LPGSYTYEWN FRKDVNMILQ SSLGNDLRTD GASISFTSIN LYATFFPMAH DATA SEQUENCE NTASTLEAML RNDTNDQSFN DYLSAANMLY PIPANATNVP ISIPSRNWAA DATA SEQUENCE FRGWSFTRLK TKETPSLGSG FDPYFVYSGS IPYLDGTFYL NHTFKKVSIT DATA SEQUENCE FDSSVSWPGN DRLLTPNEFE IKRTVDGEGY NVAQCNMTKD WFLVQMLAHY DATA SEQUENCE NIGYQGFYVP EGYKDRMYSF FRNFQPMSRQ VVDEVNYKDY QAVTLAYQHN DATA SEQUENCE NSGFVGYLAP TMRQGQPYPA NYPYPLIGKS AVTSVTQKKF LCDRVMWRIP DATA SEQUENCE FSSNFMSMGA LTDLGQNMLY ANSAHALDMN FEVDPMDEST LLYVVFEVFD DATA SEQUENCE VVRVHQPHRG VIEAVYLRTP FSAGN 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.930 176.300 -0.617 0.000 1.140 5 M CA 0.000 55.047 55.300 -0.422 0.000 0.988 5 M CB 0.000 32.267 32.600 -0.556 0.000 1.302 6 L N 1.809 122.706 121.223 -0.543 0.000 2.093 6 L HA 0.134 4.474 4.340 -0.000 0.000 0.208 6 L C -0.677 176.119 176.870 -0.124 0.000 1.085 6 L CA 2.959 57.547 54.840 -0.419 0.000 0.755 6 L CB -1.041 40.841 42.059 -0.295 0.000 0.904 6 L HN 0.395 nan 8.230 nan 0.000 0.435 7 P HA -0.143 nan 4.420 nan 0.000 0.219 7 P C 1.513 178.835 177.300 0.036 0.000 1.150 7 P CA 1.174 64.263 63.100 -0.018 0.000 0.814 7 P CB -0.008 31.663 31.700 -0.049 0.000 0.787 8 Q N -1.883 117.927 119.800 0.018 0.000 2.167 8 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 8 Q C 1.833 177.995 176.000 0.270 0.000 0.970 8 Q CA 1.119 56.992 55.803 0.116 0.000 0.855 8 Q CB -0.366 28.433 28.738 0.102 0.000 0.911 8 Q HN 0.315 nan 8.270 nan 0.000 0.438 9 W N 0.180 121.488 121.300 0.013 0.000 2.388 9 W HA 0.008 4.667 4.660 -0.000 0.000 0.294 9 W C 2.325 178.841 176.519 -0.006 0.000 1.212 9 W CA 0.809 58.158 57.345 0.006 0.000 1.271 9 W CB -0.854 28.613 29.460 0.013 0.000 1.126 9 W HN 0.146 nan 8.180 nan 0.000 0.535 10 A N -1.087 121.873 122.820 0.234 0.000 1.897 10 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 10 A C 1.864 179.433 177.584 -0.025 0.000 1.181 10 A CA 1.481 53.599 52.037 0.135 0.000 0.620 10 A CB -1.400 17.677 19.000 0.128 0.000 0.821 10 A HN 0.309 nan 8.150 nan 0.000 0.443 11 Y N -0.245 119.967 120.300 -0.146 0.000 2.274 11 Y HA -0.100 4.450 4.550 -0.000 0.000 0.290 11 Y C 1.833 177.405 175.900 -0.547 0.000 1.145 11 Y CA 1.739 59.667 58.100 -0.286 0.000 1.203 11 Y CB 0.069 38.445 38.460 -0.140 0.000 0.984 11 Y HN 0.205 nan 8.280 nan 0.000 0.533 12 M N -0.382 119.044 119.600 -0.291 0.000 2.431 12 M HA 0.090 4.570 4.480 -0.000 0.000 0.237 12 M C -0.266 175.850 176.300 -0.307 0.000 1.130 12 M CA 0.424 55.532 55.300 -0.320 0.000 1.002 12 M CB -0.936 31.645 32.600 -0.033 0.000 1.524 12 M HN 0.322 nan 8.290 nan 0.000 0.482 13 H N -1.160 117.862 119.070 -0.080 0.000 2.862 13 H HA -0.156 4.399 4.556 -0.000 0.000 0.290 13 H C 1.245 176.561 175.328 -0.021 0.000 1.211 13 H CA 0.771 56.782 56.048 -0.062 0.000 1.140 13 H CB -2.405 27.303 29.762 -0.089 0.000 1.341 13 H HN 0.419 nan 8.280 nan 0.000 0.392 14 I N -0.832 119.751 120.570 0.022 0.000 2.406 14 I HA 0.043 4.213 4.170 -0.000 0.000 0.249 14 I C 1.633 177.720 176.117 -0.051 0.000 1.122 14 I CA 1.323 62.562 61.300 -0.102 0.000 1.431 14 I CB 0.216 38.015 38.000 -0.335 0.000 1.087 14 I HN 0.433 nan 8.210 nan 0.000 0.424 15 A N -0.677 122.200 122.820 0.094 0.000 2.475 15 A HA 0.785 5.104 4.320 -0.000 0.000 0.281 15 A C 0.221 177.913 177.584 0.180 0.000 1.263 15 A CA 0.004 52.133 52.037 0.152 0.000 0.776 15 A CB 0.663 19.834 19.000 0.285 0.000 1.347 15 A HN 0.383 nan 8.150 nan 0.000 0.443 16 G N -0.829 108.071 108.800 0.167 0.000 2.481 16 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.230 16 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.230 16 G C -0.255 174.747 174.900 0.170 0.000 1.210 16 G CA 0.081 45.280 45.100 0.165 0.000 0.936 16 G HN 1.014 nan 8.290 nan 0.000 0.583 17 Q N 0.951 120.877 119.800 0.209 0.000 2.373 17 Q HA 0.396 4.735 4.340 -0.000 0.000 0.255 17 Q C -0.214 175.944 176.000 0.263 0.000 0.980 17 Q CA -0.358 55.573 55.803 0.213 0.000 0.882 17 Q CB 0.605 29.491 28.738 0.248 0.000 1.249 17 Q HN 0.515 nan 8.270 nan 0.000 0.438 18 D N 0.192 120.652 120.400 0.100 0.000 2.371 18 D HA 0.077 4.717 4.640 -0.000 0.000 0.242 18 D C 0.741 176.821 176.300 -0.366 0.000 1.218 18 D CA 0.105 54.099 54.000 -0.010 0.000 0.945 18 D CB 0.800 41.572 40.800 -0.047 0.000 1.137 18 D HN 0.667 nan 8.370 nan 0.000 0.464 19 A N 0.585 123.053 122.820 -0.587 0.000 1.940 19 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 19 A C 2.038 179.143 177.584 -0.799 0.000 1.176 19 A CA 2.280 53.598 52.037 -1.197 0.000 0.631 19 A CB -0.761 17.878 19.000 -0.602 0.000 0.814 19 A HN 0.538 nan 8.150 nan 0.000 0.446 20 S N 0.011 115.459 115.700 -0.420 0.000 2.442 20 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 20 S C 1.415 175.875 174.600 -0.234 0.000 1.007 20 S CA 1.536 59.569 58.200 -0.278 0.000 0.965 20 S CB -0.359 62.741 63.200 -0.167 0.000 0.773 20 S HN 0.725 nan 8.310 nan 0.000 0.504 21 E N 0.094 120.149 120.200 -0.241 0.000 2.201 21 E HA 0.067 4.417 4.350 -0.000 0.000 0.193 21 E C 1.774 178.323 176.600 -0.087 0.000 0.957 21 E CA 0.786 57.112 56.400 -0.122 0.000 0.858 21 E CB -0.287 29.393 29.700 -0.034 0.000 0.816 21 E HN 0.907 nan 8.360 nan 0.000 0.475 22 Y N 0.586 120.845 120.300 -0.068 0.000 2.503 22 Y HA 0.311 4.861 4.550 -0.000 0.000 0.278 22 Y C 0.753 176.604 175.900 -0.081 0.000 1.111 22 Y CA -0.386 57.685 58.100 -0.047 0.000 1.270 22 Y CB -0.425 38.029 38.460 -0.011 0.000 1.063 22 Y HN -0.213 nan 8.280 nan 0.000 0.548 23 L N 1.918 122.968 121.223 -0.288 0.000 2.472 23 L HA 0.168 4.508 4.340 -0.000 0.000 0.260 23 L C 0.961 177.762 176.870 -0.116 0.000 1.209 23 L CA -0.349 54.367 54.840 -0.207 0.000 0.817 23 L CB 0.418 42.197 42.059 -0.467 0.000 1.106 23 L HN 0.317 nan 8.230 nan 0.000 0.479 24 S N 0.875 116.528 115.700 -0.078 0.000 2.572 24 S HA 0.143 4.613 4.470 -0.000 0.000 0.279 24 S C -1.676 172.887 174.600 -0.061 0.000 1.341 24 S CA -1.083 57.091 58.200 -0.044 0.000 1.043 24 S CB 0.790 63.975 63.200 -0.024 0.000 0.887 24 S HN 0.460 nan 8.310 nan 0.000 0.516 25 P HA -0.002 nan 4.420 nan 0.000 0.218 25 P C 1.661 178.951 177.300 -0.016 0.000 1.149 25 P CA 1.583 64.663 63.100 -0.034 0.000 0.817 25 P CB -0.585 31.104 31.700 -0.019 0.000 0.785 26 G N 0.401 109.199 108.800 -0.003 0.000 2.418 26 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 26 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 26 G C 1.477 176.405 174.900 0.048 0.000 1.158 26 G CA 0.519 45.635 45.100 0.028 0.000 0.771 26 G HN 0.233 nan 8.290 nan 0.000 0.545 27 L N 0.744 121.962 121.223 -0.009 0.000 2.056 27 L HA 0.067 4.407 4.340 -0.000 0.000 0.207 27 L C 2.921 179.792 176.870 0.001 0.000 1.078 27 L CA 1.228 56.054 54.840 -0.023 0.000 0.749 27 L CB -0.485 41.496 42.059 -0.130 0.000 0.901 27 L HN 0.080 nan 8.230 nan 0.000 0.433 28 V N -0.583 119.295 119.914 -0.060 0.000 2.343 28 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 28 V C 2.600 178.694 176.094 0.001 0.000 1.051 28 V CA 1.879 64.138 62.300 -0.069 0.000 1.036 28 V CB -0.574 31.187 31.823 -0.104 0.000 0.654 28 V HN 0.529 nan 8.190 nan 0.000 0.451 29 Q N -0.461 119.354 119.800 0.025 0.000 2.050 29 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 29 Q C 1.944 177.989 176.000 0.075 0.000 0.980 29 Q CA 2.106 57.931 55.803 0.036 0.000 0.840 29 Q CB -0.531 28.229 28.738 0.036 0.000 0.898 29 Q HN 0.582 nan 8.270 nan 0.000 0.424 30 F N 0.273 120.218 119.950 -0.007 0.000 2.065 30 F HA -0.247 4.279 4.527 -0.000 0.000 0.298 30 F C 1.959 177.777 175.800 0.030 0.000 1.112 30 F CA 1.881 59.894 58.000 0.020 0.000 1.212 30 F CB -0.804 38.214 39.000 0.030 0.000 0.975 30 F HN 0.154 nan 8.300 nan 0.000 0.476 31 A N 0.353 123.369 122.820 0.326 0.000 1.902 31 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 31 A C 2.312 179.928 177.584 0.054 0.000 1.181 31 A CA 1.863 54.037 52.037 0.229 0.000 0.623 31 A CB -0.745 18.340 19.000 0.142 0.000 0.818 31 A HN 0.487 nan 8.150 nan 0.000 0.443 32 R N -0.646 119.858 120.500 0.007 0.000 2.115 32 R HA -0.011 4.329 4.340 -0.000 0.000 0.230 32 R C 2.345 178.597 176.300 -0.081 0.000 1.111 32 R CA 1.075 57.150 56.100 -0.041 0.000 0.976 32 R CB -0.376 29.900 30.300 -0.039 0.000 0.870 32 R HN 0.509 nan 8.270 nan 0.000 0.445 33 A N 0.428 123.186 122.820 -0.103 0.000 2.014 33 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 33 A C 1.948 179.429 177.584 -0.172 0.000 1.163 33 A CA 1.661 53.619 52.037 -0.133 0.000 0.652 33 A CB -0.248 18.663 19.000 -0.148 0.000 0.808 33 A HN 0.439 nan 8.150 nan 0.000 0.449 34 T N -4.537 109.902 114.554 -0.193 0.000 3.044 34 T HA 0.132 4.482 4.350 -0.000 0.000 0.260 34 T C 0.959 175.562 174.700 -0.162 0.000 1.019 34 T CA 0.729 62.745 62.100 -0.139 0.000 0.921 34 T CB 0.062 68.857 68.868 -0.121 0.000 1.053 34 T HN 0.251 nan 8.240 nan 0.000 0.533 35 D N 2.791 123.095 120.400 -0.161 0.000 2.221 35 D HA -0.137 4.502 4.640 -0.000 0.000 0.204 35 D C 2.154 178.338 176.300 -0.194 0.000 0.982 35 D CA 1.905 55.836 54.000 -0.116 0.000 0.857 35 D CB -0.126 40.619 40.800 -0.092 0.000 0.934 35 D HN 0.632 nan 8.370 nan 0.000 0.475 36 T N -3.352 110.953 114.554 -0.416 0.000 3.113 36 T HA -0.012 4.337 4.350 -0.000 0.000 0.256 36 T C 1.501 176.031 174.700 -0.282 0.000 1.131 36 T CA 0.448 62.325 62.100 -0.372 0.000 1.074 36 T CB -0.418 68.206 68.868 -0.407 0.000 0.944 36 T HN 0.328 nan 8.240 nan 0.000 0.516 37 Y N -0.510 119.827 120.300 0.061 0.000 2.464 37 Y HA 0.537 5.087 4.550 -0.001 0.000 0.288 37 Y C 0.381 176.410 175.900 0.214 0.000 1.133 37 Y CA -1.058 57.105 58.100 0.104 0.000 1.223 37 Y CB 0.688 39.198 38.460 0.084 0.000 1.187 37 Y HN 0.234 nan 8.280 nan 0.000 0.539 38 F N 0.696 120.727 119.950 0.136 0.000 2.915 38 F HA 0.411 4.938 4.527 -0.001 0.000 0.350 38 F C -0.789 175.067 175.800 0.094 0.000 1.248 38 F CA -1.360 56.714 58.000 0.123 0.000 1.084 38 F CB 1.362 40.465 39.000 0.172 0.000 1.391 38 F HN -0.315 nan 8.300 nan 0.000 0.548 39 S N 5.948 121.498 115.700 -0.249 0.000 2.475 39 S HA 0.541 5.011 4.470 -0.000 0.000 0.281 39 S C 0.442 174.926 174.600 -0.192 0.000 1.198 39 S CA -0.502 57.607 58.200 -0.151 0.000 1.063 39 S CB 0.722 63.848 63.200 -0.124 0.000 0.972 39 S HN 0.764 nan 8.310 nan 0.000 0.486 40 L N 4.672 125.889 121.223 -0.011 0.000 2.664 40 L HA 0.308 4.648 4.340 -0.000 0.000 0.233 40 L C 2.435 179.384 176.870 0.132 0.000 1.113 40 L CA 0.172 55.057 54.840 0.075 0.000 0.896 40 L CB -0.486 41.745 42.059 0.286 0.000 1.163 40 L HN 0.855 nan 8.230 nan 0.000 0.497 41 G N 1.989 110.837 108.800 0.080 0.000 2.476 41 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.218 41 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.218 41 G C 1.271 176.206 174.900 0.058 0.000 1.164 41 G CA 1.261 46.417 45.100 0.094 0.000 0.768 41 G HN 0.591 nan 8.290 nan 0.000 0.560 42 N N 0.500 119.180 118.700 -0.033 0.000 2.571 42 N HA 0.013 4.752 4.740 -0.000 0.000 0.189 42 N C 1.402 176.822 175.510 -0.150 0.000 1.154 42 N CA 0.762 53.769 53.050 -0.071 0.000 0.907 42 N CB -0.129 38.310 38.487 -0.079 0.000 0.977 42 N HN 0.223 nan 8.380 nan 0.000 0.449 43 K N -0.771 119.454 120.400 -0.292 0.000 2.404 43 K HA 0.249 4.569 4.320 -0.000 0.000 0.194 43 K C -0.777 175.298 176.600 -0.874 0.000 1.023 43 K CA 0.168 56.083 56.287 -0.621 0.000 1.094 43 K CB 0.173 32.158 32.500 -0.859 0.000 0.841 43 K HN 0.133 nan 8.250 nan 0.000 0.523 44 F N 0.625 120.579 119.950 0.007 0.000 2.536 44 F HA 0.387 4.913 4.527 -0.001 0.000 0.322 44 F C 0.285 176.105 175.800 0.035 0.000 1.144 44 F CA -1.378 56.646 58.000 0.039 0.000 0.924 44 F CB 1.156 40.160 39.000 0.007 0.000 1.181 44 F HN -0.373 nan 8.300 nan 0.000 0.438 45 R N 2.516 123.144 120.500 0.214 0.000 2.537 45 R HA 0.183 4.523 4.340 -0.000 0.000 0.280 45 R C -0.661 175.732 176.300 0.154 0.000 1.058 45 R CA 0.034 56.224 56.100 0.151 0.000 1.057 45 R CB 0.346 30.752 30.300 0.177 0.000 0.973 45 R HN 0.626 nan 8.270 nan 0.000 0.438 46 N N 4.877 123.638 118.700 0.101 0.000 2.518 46 N HA 0.277 5.016 4.740 -0.000 0.000 0.254 46 N C -2.391 173.164 175.510 0.074 0.000 0.979 46 N CA -1.339 51.760 53.050 0.081 0.000 0.930 46 N CB 2.085 40.590 38.487 0.029 0.000 1.152 46 N HN 0.262 nan 8.380 nan 0.000 0.505 47 P HA 0.097 nan 4.420 nan 0.000 0.271 47 P C -0.357 176.966 177.300 0.039 0.000 1.218 47 P CA -0.077 63.061 63.100 0.064 0.000 0.780 47 P CB 0.672 32.426 31.700 0.090 0.000 0.901 48 T N -0.947 113.615 114.554 0.014 0.000 2.824 48 T HA 0.587 4.937 4.350 -0.000 0.000 0.282 48 T C -0.538 174.162 174.700 -0.000 0.000 0.993 48 T CA -0.733 61.373 62.100 0.010 0.000 0.967 48 T CB 1.030 69.901 68.868 0.005 0.000 0.960 48 T HN 0.152 nan 8.240 nan 0.000 0.441 49 V N 2.058 121.980 119.914 0.013 0.000 2.525 49 V HA 0.743 4.862 4.120 -0.000 0.000 0.299 49 V C 0.543 176.649 176.094 0.020 0.000 1.034 49 V CA -1.209 61.099 62.300 0.014 0.000 0.863 49 V CB 1.331 33.178 31.823 0.040 0.000 0.999 49 V HN 1.326 nan 8.190 nan 0.000 0.423 50 A N 6.888 129.715 122.820 0.012 0.000 2.407 50 A HA 0.703 5.023 4.320 -0.000 0.000 0.248 50 A C -1.713 175.885 177.584 0.023 0.000 1.082 50 A CA -0.881 51.167 52.037 0.019 0.000 0.785 50 A CB -0.220 18.788 19.000 0.012 0.000 1.020 50 A HN 0.715 nan 8.150 nan 0.000 0.489 51 P HA 0.141 nan 4.420 nan 0.000 0.269 51 P C 0.341 177.640 177.300 -0.002 0.000 1.209 51 P CA 0.266 63.387 63.100 0.035 0.000 0.776 51 P CB 0.641 32.379 31.700 0.063 0.000 0.876 52 T N -3.275 111.233 114.554 -0.076 0.000 3.084 52 T HA 0.177 4.527 4.350 -0.000 0.000 0.270 52 T C 0.329 174.862 174.700 -0.280 0.000 1.008 52 T CA -0.091 61.891 62.100 -0.196 0.000 0.900 52 T CB -0.265 68.419 68.868 -0.306 0.000 1.084 52 T HN 0.444 nan 8.240 nan 0.000 0.538 53 H N 1.048 120.150 119.070 0.052 0.000 2.894 53 H HA 0.363 4.919 4.556 -0.001 0.000 0.367 53 H C -0.501 174.861 175.328 0.057 0.000 1.144 53 H CA -0.533 55.544 56.048 0.048 0.000 1.180 53 H CB 1.749 31.536 29.762 0.043 0.000 1.758 53 H HN -0.005 nan 8.280 nan 0.000 0.541 54 D N 1.000 121.519 120.400 0.198 0.000 3.079 54 D HA -0.152 4.488 4.640 -0.000 0.000 0.214 54 D C 1.189 177.572 176.300 0.139 0.000 1.145 54 D CA 0.973 55.058 54.000 0.142 0.000 0.958 54 D CB -1.184 39.686 40.800 0.117 0.000 1.117 54 D HN 0.272 nan 8.370 nan 0.000 0.416 55 V N -0.768 119.238 119.914 0.154 0.000 2.627 55 V HA 0.069 4.189 4.120 -0.000 0.000 0.239 55 V C 1.162 177.417 176.094 0.268 0.000 1.077 55 V CA 1.448 63.870 62.300 0.203 0.000 1.103 55 V CB 0.575 32.516 31.823 0.197 0.000 0.802 55 V HN 0.098 nan 8.190 nan 0.000 0.482 56 T N 0.310 114.964 114.554 0.166 0.000 2.856 56 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 56 T C -0.195 174.529 174.700 0.040 0.000 1.008 56 T CA -0.060 62.102 62.100 0.103 0.000 0.997 56 T CB 1.937 70.812 68.868 0.011 0.000 0.992 56 T HN 0.314 nan 8.240 nan 0.000 0.454 57 T N 0.752 115.302 114.554 -0.007 0.000 2.898 57 T HA 0.101 4.450 4.350 -0.000 0.000 0.301 57 T C 0.803 175.438 174.700 -0.107 0.000 1.049 57 T CA -0.219 61.803 62.100 -0.130 0.000 1.095 57 T CB 0.543 69.185 68.868 -0.377 0.000 0.976 57 T HN 0.599 nan 8.240 nan 0.000 0.539 58 D N 1.571 121.900 120.400 -0.119 0.000 2.350 58 D HA 0.108 4.748 4.640 -0.000 0.000 0.213 58 D C 0.657 176.906 176.300 -0.085 0.000 1.031 58 D CA 0.216 54.172 54.000 -0.074 0.000 0.861 58 D CB 0.301 41.074 40.800 -0.045 0.000 0.926 58 D HN 0.409 nan 8.370 nan 0.000 0.520 59 R N 0.216 120.627 120.500 -0.149 0.000 2.531 59 R HA 0.263 4.603 4.340 -0.000 0.000 0.273 59 R C 0.188 176.456 176.300 -0.053 0.000 1.070 59 R CA -0.387 55.654 56.100 -0.099 0.000 1.112 59 R CB 0.970 31.194 30.300 -0.127 0.000 1.049 59 R HN -0.051 nan 8.270 nan 0.000 0.508 60 S N 1.072 116.761 115.700 -0.018 0.000 2.533 60 S HA 0.020 4.489 4.470 -0.000 0.000 0.282 60 S C -0.314 174.289 174.600 0.005 0.000 1.304 60 S CA 0.136 58.332 58.200 -0.008 0.000 1.063 60 S CB 0.258 63.456 63.200 -0.002 0.000 0.881 60 S HN 0.521 nan 8.310 nan 0.000 0.493 61 Q N 3.492 123.291 119.800 -0.000 0.000 2.541 61 Q HA 0.267 4.606 4.340 -0.000 0.000 0.259 61 Q C -1.558 174.437 176.000 -0.009 0.000 0.974 61 Q CA -0.697 55.108 55.803 0.005 0.000 0.955 61 Q CB 0.929 29.694 28.738 0.046 0.000 1.517 61 Q HN 0.730 nan 8.270 nan 0.000 0.412 62 R N 2.918 123.398 120.500 -0.034 0.000 2.410 62 R HA 0.348 4.687 4.340 -0.000 0.000 0.288 62 R C 0.883 177.200 176.300 0.029 0.000 1.051 62 R CA -0.146 55.944 56.100 -0.017 0.000 1.021 62 R CB 0.791 31.066 30.300 -0.042 0.000 1.032 62 R HN 0.626 nan 8.270 nan 0.000 0.481 63 L N 0.593 121.856 121.223 0.067 0.000 2.095 63 L HA 0.019 4.359 4.340 -0.000 0.000 0.204 63 L C 0.429 177.437 176.870 0.230 0.000 1.080 63 L CA 1.142 56.062 54.840 0.134 0.000 0.759 63 L CB 0.104 42.215 42.059 0.087 0.000 0.914 63 L HN 0.608 nan 8.230 nan 0.000 0.439 64 T N 0.991 115.645 114.554 0.167 0.000 2.841 64 T HA 0.544 4.894 4.350 -0.000 0.000 0.285 64 T C -0.532 174.225 174.700 0.096 0.000 0.991 64 T CA -0.352 61.863 62.100 0.192 0.000 0.966 64 T CB 2.298 71.280 68.868 0.189 0.000 0.962 64 T HN -0.092 nan 8.240 nan 0.000 0.438 65 L N 2.631 123.887 121.223 0.055 0.000 2.334 65 L HA 0.618 4.958 4.340 -0.000 0.000 0.276 65 L C 0.251 176.812 176.870 -0.517 0.000 1.014 65 L CA -0.998 53.684 54.840 -0.263 0.000 0.815 65 L CB 2.026 43.856 42.059 -0.380 0.000 1.268 65 L HN 0.397 nan 8.230 nan 0.000 0.428 66 R N 2.570 122.685 120.500 -0.642 0.000 2.229 66 R HA 0.446 4.785 4.340 -0.000 0.000 0.332 66 R C -1.582 174.324 176.300 -0.657 0.000 0.989 66 R CA -0.439 55.178 56.100 -0.805 0.000 0.842 66 R CB 0.630 30.526 30.300 -0.674 0.000 1.119 66 R HN 0.327 nan 8.270 nan 0.000 0.456 67 F N 5.153 124.955 119.950 -0.248 0.000 2.385 67 F HA 0.228 4.755 4.527 -0.000 0.000 0.360 67 F C 0.426 176.299 175.800 0.120 0.000 1.122 67 F CA -0.861 57.121 58.000 -0.030 0.000 1.090 67 F CB 1.676 40.669 39.000 -0.012 0.000 1.150 67 F HN 0.193 nan 8.300 nan 0.000 0.472 68 V N 1.921 122.026 119.914 0.318 0.000 2.539 68 V HA 0.591 4.711 4.120 -0.000 0.000 0.292 68 V C -2.538 173.744 176.094 0.312 0.000 1.045 68 V CA -2.895 59.588 62.300 0.305 0.000 0.945 68 V CB 0.869 32.773 31.823 0.135 0.000 0.993 68 V HN 0.454 nan 8.190 nan 0.000 0.464 69 P HA 0.040 nan 4.420 nan 0.000 0.262 69 P C 1.048 178.268 177.300 -0.134 0.000 1.182 69 P CA 0.424 63.321 63.100 -0.339 0.000 0.761 69 P CB 0.708 32.224 31.700 -0.307 0.000 0.795 70 V N 0.286 120.113 119.914 -0.145 0.000 2.515 70 V HA -0.058 4.061 4.120 -0.000 0.000 0.250 70 V C 0.221 176.262 176.094 -0.089 0.000 1.058 70 V CA 1.477 63.742 62.300 -0.057 0.000 1.064 70 V CB -0.791 31.025 31.823 -0.013 0.000 0.675 70 V HN 0.342 nan 8.190 nan 0.000 0.461 71 D N -0.986 119.321 120.400 -0.155 0.000 2.661 71 D HA 0.798 5.438 4.640 -0.000 0.000 0.228 71 D C -0.229 175.952 176.300 -0.198 0.000 1.183 71 D CA 0.219 54.133 54.000 -0.144 0.000 0.844 71 D CB 1.747 42.475 40.800 -0.121 0.000 1.555 71 D HN 0.593 nan 8.370 nan 0.000 0.453 72 R N -0.259 120.127 120.500 -0.190 0.000 2.795 72 R HA 0.951 5.291 4.340 -0.000 0.000 0.275 72 R C -0.739 175.388 176.300 -0.289 0.000 0.981 72 R CA -0.646 55.285 56.100 -0.282 0.000 0.917 72 R CB 0.634 30.758 30.300 -0.292 0.000 1.202 72 R HN 0.704 nan 8.270 nan 0.000 0.469 73 E N 0.578 120.544 120.200 -0.390 0.000 2.308 73 E HA 0.537 4.887 4.350 -0.000 0.000 0.275 73 E C -1.712 174.666 176.600 -0.371 0.000 0.890 73 E CA -0.474 55.752 56.400 -0.290 0.000 0.754 73 E CB 2.194 31.787 29.700 -0.178 0.000 1.207 73 E HN 0.729 nan 8.360 nan 0.000 0.426 74 D N 0.886 121.164 120.400 -0.204 0.000 2.456 74 D HA 0.333 4.972 4.640 -0.000 0.000 0.287 74 D C 0.227 176.545 176.300 0.030 0.000 1.186 74 D CA 0.505 54.483 54.000 -0.036 0.000 0.916 74 D CB -0.383 40.467 40.800 0.083 0.000 1.029 74 D HN 0.792 nan 8.370 nan 0.000 0.498 75 N N -0.006 118.713 118.700 0.031 0.000 2.364 75 N HA 0.153 4.892 4.740 -0.000 0.000 0.264 75 N C 1.303 176.782 175.510 -0.052 0.000 1.263 75 N CA 0.191 53.229 53.050 -0.021 0.000 0.959 75 N CB -0.119 38.358 38.487 -0.017 0.000 1.204 75 N HN 0.177 nan 8.380 nan 0.000 0.550 76 T N -0.621 113.799 114.554 -0.223 0.000 2.788 76 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 76 T C 0.663 175.124 174.700 -0.398 0.000 1.044 76 T CA 1.914 63.755 62.100 -0.431 0.000 1.139 76 T CB -0.354 68.036 68.868 -0.797 0.000 0.867 76 T HN 0.655 nan 8.240 nan 0.000 0.454 77 Y N 0.909 121.211 120.300 0.002 0.000 2.430 77 Y HA 0.402 4.951 4.550 -0.000 0.000 0.248 77 Y C 1.315 177.366 175.900 0.251 0.000 1.108 77 Y CA -0.891 57.250 58.100 0.068 0.000 1.264 77 Y CB 0.271 38.747 38.460 0.027 0.000 1.172 77 Y HN 0.149 nan 8.280 nan 0.000 0.520 78 S N -1.434 114.473 115.700 0.345 0.000 2.704 78 S HA 0.629 5.099 4.470 -0.000 0.000 0.296 78 S C -1.739 173.098 174.600 0.396 0.000 1.138 78 S CA -0.763 57.683 58.200 0.409 0.000 0.875 78 S CB 2.292 65.666 63.200 0.291 0.000 1.151 78 S HN 0.111 nan 8.310 nan 0.000 0.500 79 Y N 0.138 120.603 120.300 0.274 0.000 2.317 79 Y HA 0.555 5.104 4.550 -0.001 0.000 0.325 79 Y C -0.370 175.626 175.900 0.160 0.000 1.066 79 Y CA -0.339 57.883 58.100 0.203 0.000 1.203 79 Y CB 0.547 39.170 38.460 0.272 0.000 1.127 79 Y HN 1.091 nan 8.280 nan 0.000 0.451 80 K N 4.021 124.375 120.400 -0.076 0.000 2.201 80 K HA 0.837 5.156 4.320 -0.000 0.000 0.278 80 K C -1.632 174.886 176.600 -0.137 0.000 1.027 80 K CA -0.375 55.873 56.287 -0.065 0.000 0.909 80 K CB 1.735 34.161 32.500 -0.124 0.000 1.062 80 K HN 0.524 nan 8.250 nan 0.000 0.465 81 V N 2.476 122.381 119.914 -0.015 0.000 2.789 81 V HA 0.820 4.939 4.120 -0.000 0.000 0.311 81 V C -0.988 174.993 176.094 -0.187 0.000 1.073 81 V CA -0.905 61.332 62.300 -0.106 0.000 0.921 81 V CB 1.954 33.789 31.823 0.021 0.000 1.009 81 V HN 0.998 nan 8.190 nan 0.000 0.426 82 R N 4.078 124.296 120.500 -0.470 0.000 2.604 82 R HA 0.625 4.964 4.340 -0.000 0.000 0.281 82 R C -2.242 173.750 176.300 -0.515 0.000 1.020 82 R CA -0.419 55.474 56.100 -0.345 0.000 0.899 82 R CB 2.037 32.248 30.300 -0.148 0.000 1.205 82 R HN 0.703 nan 8.270 nan 0.000 0.450 83 Y N 0.202 120.571 120.300 0.115 0.000 2.576 83 Y HA 0.368 4.918 4.550 -0.000 0.000 0.346 83 Y C -0.029 175.921 175.900 0.084 0.000 1.018 83 Y CA -0.969 57.198 58.100 0.111 0.000 1.050 83 Y CB 2.808 41.341 38.460 0.121 0.000 1.280 83 Y HN 0.391 nan 8.280 nan 0.000 0.474 84 T N 3.701 118.393 114.554 0.230 0.000 3.145 84 T HA 0.189 4.538 4.350 -0.000 0.000 0.348 84 T C -0.759 173.939 174.700 -0.005 0.000 1.299 84 T CA -0.417 61.763 62.100 0.132 0.000 1.037 84 T CB -0.413 68.528 68.868 0.121 0.000 1.122 84 T HN 0.329 nan 8.240 nan 0.000 0.600 85 L N 4.215 125.407 121.223 -0.053 0.000 2.485 85 L HA 0.574 4.913 4.340 -0.000 0.000 0.279 85 L C 0.087 176.859 176.870 -0.162 0.000 1.124 85 L CA -0.468 54.094 54.840 -0.464 0.000 0.888 85 L CB -0.942 40.974 42.059 -0.238 0.000 1.217 85 L HN 0.522 nan 8.230 nan 0.000 0.464 86 A N 5.517 128.245 122.820 -0.153 0.000 2.271 86 A HA 0.692 5.012 4.320 -0.000 0.000 0.317 86 A C -0.787 176.990 177.584 0.321 0.000 1.245 86 A CA -0.576 51.587 52.037 0.211 0.000 0.857 86 A CB 1.015 20.173 19.000 0.263 0.000 1.175 86 A HN 0.507 nan 8.150 nan 0.000 0.512 87 V N 3.414 123.517 119.914 0.315 0.000 2.334 87 V HA 0.511 4.630 4.120 -0.000 0.000 0.281 87 V C 1.120 177.312 176.094 0.163 0.000 1.016 87 V CA -0.191 62.299 62.300 0.316 0.000 0.832 87 V CB 1.005 33.037 31.823 0.348 0.000 0.999 87 V HN 1.098 nan 8.190 nan 0.000 0.439 88 G N 3.068 111.893 108.800 0.042 0.000 2.636 88 G HA2 0.214 4.174 3.960 -0.000 0.000 0.246 88 G HA3 0.214 4.174 3.960 -0.000 0.000 0.246 88 G C -0.165 174.723 174.900 -0.020 0.000 1.216 88 G CA -0.396 44.696 45.100 -0.014 0.000 0.854 88 G HN 0.627 nan 8.290 nan 0.000 0.572 89 D N 0.109 120.480 120.400 -0.047 0.000 2.390 89 D HA -0.020 4.619 4.640 -0.000 0.000 0.236 89 D C 0.863 177.071 176.300 -0.153 0.000 1.189 89 D CA 0.503 54.460 54.000 -0.071 0.000 0.887 89 D CB 0.273 41.028 40.800 -0.075 0.000 1.198 89 D HN 0.381 nan 8.370 nan 0.000 0.444 90 N N 0.706 119.321 118.700 -0.142 0.000 2.721 90 N HA -0.249 4.491 4.740 -0.000 0.000 0.249 90 N C -0.380 175.033 175.510 -0.161 0.000 1.072 90 N CA 0.893 53.812 53.050 -0.218 0.000 0.710 90 N CB -0.640 37.513 38.487 -0.557 0.000 0.993 90 N HN 0.455 nan 8.380 nan 0.000 0.547 91 R N -1.026 119.464 120.500 -0.016 0.000 2.739 91 R HA 0.687 5.027 4.340 -0.000 0.000 0.271 91 R C -0.740 175.658 176.300 0.164 0.000 1.010 91 R CA -0.822 55.343 56.100 0.109 0.000 0.897 91 R CB 2.175 32.536 30.300 0.101 0.000 1.236 91 R HN 0.013 nan 8.270 nan 0.000 0.466 92 V N -0.297 119.755 119.914 0.229 0.000 3.102 92 V HA 0.794 4.914 4.120 -0.000 0.000 0.312 92 V C -1.654 174.564 176.094 0.207 0.000 1.135 92 V CA -0.993 61.417 62.300 0.182 0.000 1.022 92 V CB 2.064 33.943 31.823 0.094 0.000 1.056 92 V HN 0.581 nan 8.190 nan 0.000 0.436 93 L N 2.103 123.352 121.223 0.043 0.000 2.404 93 L HA 0.646 4.985 4.340 -0.000 0.000 0.272 93 L C -0.775 175.999 176.870 -0.161 0.000 0.980 93 L CA -0.008 54.727 54.840 -0.175 0.000 0.836 93 L CB 1.436 43.325 42.059 -0.283 0.000 1.238 93 L HN 0.951 nan 8.230 nan 0.000 0.408 94 D N 5.311 125.626 120.400 -0.141 0.000 2.325 94 D HA 0.113 4.753 4.640 -0.000 0.000 0.251 94 D C 1.129 177.343 176.300 -0.142 0.000 1.196 94 D CA -0.276 53.667 54.000 -0.094 0.000 0.866 94 D CB 1.111 41.894 40.800 -0.030 0.000 1.101 94 D HN 0.571 nan 8.370 nan 0.000 0.476 95 M N 2.974 122.478 119.600 -0.161 0.000 2.446 95 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 95 M C 1.789 178.011 176.300 -0.129 0.000 1.066 95 M CA 0.521 55.704 55.300 -0.195 0.000 1.087 95 M CB -0.900 31.553 32.600 -0.244 0.000 1.406 95 M HN 0.476 nan 8.290 nan 0.000 0.459 96 A N 0.185 122.959 122.820 -0.075 0.000 2.067 96 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 96 A C 2.249 179.859 177.584 0.043 0.000 1.158 96 A CA 1.667 53.692 52.037 -0.020 0.000 0.661 96 A CB -0.630 18.379 19.000 0.015 0.000 0.801 96 A HN 0.586 nan 8.150 nan 0.000 0.452 97 S N -0.214 115.499 115.700 0.021 0.000 2.603 97 S HA 0.045 4.515 4.470 -0.000 0.000 0.220 97 S C 0.902 175.550 174.600 0.080 0.000 0.967 97 S CA 0.641 58.894 58.200 0.088 0.000 0.920 97 S CB -1.079 62.129 63.200 0.014 0.000 0.773 97 S HN 0.681 nan 8.310 nan 0.000 0.529 98 T N -0.117 114.429 114.554 -0.014 0.000 2.934 98 T HA 0.685 5.034 4.350 -0.000 0.000 0.283 98 T C -0.620 174.060 174.700 -0.033 0.000 1.005 98 T CA -0.713 61.306 62.100 -0.134 0.000 1.041 98 T CB 1.059 69.800 68.868 -0.213 0.000 1.042 98 T HN 0.689 nan 8.240 nan 0.000 0.505 99 Y N -1.373 118.835 120.300 -0.153 0.000 2.741 99 Y HA 0.658 5.207 4.550 -0.001 0.000 0.339 99 Y C -2.161 173.553 175.900 -0.311 0.000 1.226 99 Y CA -2.549 55.439 58.100 -0.187 0.000 1.072 99 Y CB 0.601 39.167 38.460 0.177 0.000 1.331 99 Y HN 0.589 nan 8.280 nan 0.000 0.453 100 F N 1.478 121.659 119.950 0.385 0.000 2.388 100 F HA 0.361 4.887 4.527 -0.001 0.000 0.358 100 F C -0.201 175.775 175.800 0.293 0.000 1.122 100 F CA -0.412 57.732 58.000 0.241 0.000 1.056 100 F CB 1.313 40.432 39.000 0.199 0.000 1.155 100 F HN 0.561 nan 8.300 nan 0.000 0.461 101 D N 4.784 125.471 120.400 0.478 0.000 2.339 101 D HA 0.396 5.036 4.640 -0.000 0.000 0.241 101 D C -0.614 175.836 176.300 0.250 0.000 1.183 101 D CA 0.013 54.247 54.000 0.391 0.000 0.859 101 D CB 0.575 41.694 40.800 0.532 0.000 1.067 101 D HN 0.336 nan 8.370 nan 0.000 0.484 102 I N 4.044 124.699 120.570 0.141 0.000 2.378 102 I HA 0.432 4.602 4.170 -0.000 0.000 0.291 102 I C 0.308 176.487 176.117 0.103 0.000 0.992 102 I CA -0.860 60.464 61.300 0.040 0.000 1.154 102 I CB 1.579 39.530 38.000 -0.081 0.000 1.315 102 I HN 0.188 nan 8.210 nan 0.000 0.448 103 R N 3.747 124.189 120.500 -0.098 0.000 2.599 103 R HA 0.838 5.178 4.340 -0.000 0.000 0.295 103 R C -0.227 175.738 176.300 -0.558 0.000 0.963 103 R CA -0.638 55.232 56.100 -0.382 0.000 0.883 103 R CB 2.443 32.529 30.300 -0.357 0.000 1.171 103 R HN 0.886 nan 8.270 nan 0.000 0.450 104 G N 0.413 108.536 108.800 -1.128 0.000 2.490 104 G HA2 0.402 4.362 3.960 -0.000 0.000 0.308 104 G HA3 0.402 4.362 3.960 -0.000 0.000 0.308 104 G C -1.820 172.667 174.900 -0.687 0.000 1.286 104 G CA -0.450 44.191 45.100 -0.764 0.000 0.825 104 G HN 0.325 nan 8.290 nan 0.000 0.479 105 V N 0.599 120.444 119.914 -0.116 0.000 2.444 105 V HA 0.654 4.774 4.120 -0.000 0.000 0.294 105 V C -0.750 175.519 176.094 0.291 0.000 1.022 105 V CA -0.611 61.738 62.300 0.081 0.000 0.850 105 V CB 1.273 33.100 31.823 0.006 0.000 0.992 105 V HN 0.819 nan 8.190 nan 0.000 0.426 106 L N 3.963 125.399 121.223 0.356 0.000 2.329 106 L HA 0.812 5.152 4.340 -0.000 0.000 0.279 106 L C -0.862 176.043 176.870 0.058 0.000 1.014 106 L CA 0.131 55.059 54.840 0.146 0.000 0.814 106 L CB 1.885 43.947 42.059 0.005 0.000 1.257 106 L HN 0.671 nan 8.230 nan 0.000 0.424 107 D N 2.682 123.079 120.400 -0.005 0.000 2.471 107 D HA 0.347 4.987 4.640 -0.000 0.000 0.245 107 D C 0.505 176.715 176.300 -0.150 0.000 1.116 107 D CA -0.368 53.623 54.000 -0.014 0.000 0.853 107 D CB 1.308 42.171 40.800 0.106 0.000 1.123 107 D HN 0.604 nan 8.370 nan 0.000 0.540 108 R N 2.031 122.360 120.500 -0.285 0.000 2.280 108 R HA 0.331 4.671 4.340 -0.000 0.000 0.207 108 R C 1.290 177.470 176.300 -0.199 0.000 1.043 108 R CA 0.520 56.417 56.100 -0.339 0.000 1.006 108 R CB -0.040 29.855 30.300 -0.674 0.000 0.885 108 R HN 0.594 nan 8.270 nan 0.000 0.467 109 G N 0.434 109.130 108.800 -0.174 0.000 2.707 109 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.686 109 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.686 109 G C -2.189 172.640 174.900 -0.119 0.000 1.315 109 G CA -0.596 44.436 45.100 -0.113 0.000 0.832 109 G HN -0.034 nan 8.290 nan 0.000 0.573 110 P HA 0.003 nan 4.420 nan 0.000 0.234 110 P C 1.568 178.707 177.300 -0.268 0.000 1.167 110 P CA 1.771 64.784 63.100 -0.145 0.000 0.763 110 P CB 0.014 31.658 31.700 -0.094 0.000 0.835 111 S N -1.778 113.752 115.700 -0.283 0.000 2.548 111 S HA 0.035 4.505 4.470 -0.000 0.000 0.215 111 S C 0.454 174.769 174.600 -0.474 0.000 0.976 111 S CA -0.631 57.229 58.200 -0.568 0.000 0.908 111 S CB -1.055 61.940 63.200 -0.342 0.000 0.781 111 S HN -0.039 nan 8.310 nan 0.000 0.519 112 F N 3.344 123.058 119.950 -0.394 0.000 2.506 112 F HA 0.488 5.014 4.527 -0.001 0.000 0.371 112 F C 0.157 175.738 175.800 -0.365 0.000 1.078 112 F CA -0.469 57.340 58.000 -0.318 0.000 1.195 112 F CB 0.458 39.312 39.000 -0.242 0.000 1.099 112 F HN 0.120 nan 8.300 nan 0.000 0.548 113 K N 8.966 128.826 120.400 -0.900 0.000 2.764 113 K HA 0.329 4.648 4.320 -0.000 0.000 0.239 113 K C -2.744 173.196 176.600 -1.100 0.000 1.048 113 K CA -1.576 54.104 56.287 -1.012 0.000 1.057 113 K CB 1.429 33.465 32.500 -0.773 0.000 1.251 113 K HN 0.275 nan 8.250 nan 0.000 0.524 114 P HA 0.077 nan 4.420 nan 0.000 0.235 114 P C -1.509 175.628 177.300 -0.272 0.000 1.725 114 P CA 0.015 62.680 63.100 -0.725 0.000 0.894 114 P CB -0.712 30.842 31.700 -0.243 0.000 1.704 115 Y N -4.862 115.149 120.300 -0.482 0.000 2.687 115 Y HA 0.559 5.108 4.550 -0.000 0.000 0.338 115 Y C -0.912 174.844 175.900 -0.240 0.000 1.189 115 Y CA -1.300 56.661 58.100 -0.232 0.000 1.097 115 Y CB -0.068 38.302 38.460 -0.151 0.000 1.342 115 Y HN -0.341 nan 8.280 nan 0.000 0.461 116 S N 0.890 116.604 115.700 0.023 0.000 2.654 116 S HA 0.808 5.277 4.470 -0.000 0.000 0.283 116 S C 0.363 175.033 174.600 0.116 0.000 1.180 116 S CA 0.083 58.243 58.200 -0.067 0.000 1.021 116 S CB 1.067 64.205 63.200 -0.104 0.000 1.018 116 S HN 1.791 nan 8.310 nan 0.000 0.532 117 G N 0.917 109.770 108.800 0.088 0.000 2.632 117 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.224 117 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.224 117 G C -0.238 174.781 174.900 0.199 0.000 1.341 117 G CA -0.125 45.078 45.100 0.172 0.000 0.880 117 G HN 0.941 nan 8.290 nan 0.000 0.566 118 T N -1.324 113.283 114.554 0.089 0.000 2.924 118 T HA 0.747 5.097 4.350 -0.000 0.000 0.291 118 T C 1.224 175.790 174.700 -0.223 0.000 1.045 118 T CA 0.717 62.794 62.100 -0.037 0.000 1.015 118 T CB 1.519 70.175 68.868 -0.353 0.000 1.103 118 T HN 2.038 nan 8.240 nan 0.000 0.496 119 A N 2.314 124.843 122.820 -0.485 0.000 2.218 119 A HA 0.332 4.652 4.320 -0.000 0.000 0.209 119 A C -0.245 176.828 177.584 -0.852 0.000 1.168 119 A CA 0.302 51.843 52.037 -0.826 0.000 0.804 119 A CB -0.254 18.056 19.000 -1.151 0.000 0.834 119 A HN 0.775 nan 8.150 nan 0.000 0.482 120 Y N 0.261 120.475 120.300 -0.143 0.000 2.345 120 Y HA 0.335 4.885 4.550 -0.000 0.000 0.331 120 Y C 0.156 175.959 175.900 -0.163 0.000 0.959 120 Y CA -0.990 57.052 58.100 -0.096 0.000 1.204 120 Y CB 0.739 39.185 38.460 -0.023 0.000 1.135 120 Y HN 0.256 nan 8.280 nan 0.000 0.477 121 N N 0.559 119.286 118.700 0.046 0.000 2.727 121 N HA -0.231 4.509 4.740 -0.000 0.000 0.249 121 N C 1.098 176.599 175.510 -0.016 0.000 1.048 121 N CA 1.192 54.262 53.050 0.034 0.000 0.714 121 N CB -1.093 37.441 38.487 0.078 0.000 0.959 121 N HN 0.808 nan 8.380 nan 0.000 0.544 122 S N -1.209 114.452 115.700 -0.065 0.000 2.440 122 S HA -0.088 4.382 4.470 -0.000 0.000 0.238 122 S C 1.668 176.402 174.600 0.223 0.000 1.010 122 S CA 0.655 58.866 58.200 0.020 0.000 0.972 122 S CB -0.065 63.142 63.200 0.012 0.000 0.774 122 S HN 0.529 nan 8.310 nan 0.000 0.501 123 L N 1.004 122.314 121.223 0.145 0.000 2.558 123 L HA 0.311 4.651 4.340 -0.000 0.000 0.225 123 L C 1.362 178.325 176.870 0.154 0.000 1.128 123 L CA 0.005 54.927 54.840 0.137 0.000 0.868 123 L CB -0.605 41.508 42.059 0.090 0.000 1.006 123 L HN 0.332 nan 8.230 nan 0.000 0.454 124 A N 1.073 124.017 122.820 0.207 0.000 2.488 124 A HA 0.343 4.662 4.320 -0.000 0.000 0.249 124 A C -2.128 175.551 177.584 0.159 0.000 1.083 124 A CA -1.068 51.080 52.037 0.185 0.000 0.768 124 A CB -0.464 18.660 19.000 0.207 0.000 1.017 124 A HN -0.042 nan 8.150 nan 0.000 0.496 125 P HA 0.032 nan 4.420 nan 0.000 0.265 125 P C 0.243 177.539 177.300 -0.006 0.000 1.187 125 P CA 0.262 63.375 63.100 0.021 0.000 0.766 125 P CB 0.429 32.144 31.700 0.025 0.000 0.820 126 K N 1.580 121.913 120.400 -0.110 0.000 2.486 126 K HA 0.054 4.374 4.320 -0.000 0.000 0.194 126 K C 1.599 178.149 176.600 -0.083 0.000 1.033 126 K CA 0.811 56.980 56.287 -0.196 0.000 1.004 126 K CB -0.060 32.190 32.500 -0.416 0.000 0.798 126 K HN 0.581 nan 8.250 nan 0.000 0.495 127 G N 0.361 109.131 108.800 -0.049 0.000 3.324 127 G HA2 0.243 4.203 3.960 -0.000 0.000 0.251 127 G HA3 0.243 4.203 3.960 -0.000 0.000 0.251 127 G C 0.032 174.927 174.900 -0.009 0.000 1.072 127 G CA -0.277 44.807 45.100 -0.027 0.000 0.787 127 G HN 0.200 nan 8.290 nan 0.000 0.537 128 A N 1.690 124.522 122.820 0.020 0.000 2.401 128 A HA 0.657 4.977 4.320 -0.000 0.000 0.259 128 A C -1.974 175.645 177.584 0.059 0.000 1.103 128 A CA -1.036 51.029 52.037 0.046 0.000 0.789 128 A CB 0.744 19.790 19.000 0.075 0.000 1.035 128 A HN 0.194 nan 8.150 nan 0.000 0.491 129 P HA 0.190 nan 4.420 nan 0.000 0.278 129 P C -0.663 176.705 177.300 0.113 0.000 1.266 129 P CA -0.639 62.504 63.100 0.072 0.000 0.807 129 P CB 0.690 32.421 31.700 0.051 0.000 1.094 130 N N -1.061 117.702 118.700 0.105 0.000 2.424 130 N HA 0.152 4.892 4.740 -0.000 0.000 0.257 130 N C -0.108 175.483 175.510 0.135 0.000 1.250 130 N CA -0.048 53.065 53.050 0.105 0.000 0.946 130 N CB -0.041 38.496 38.487 0.084 0.000 1.175 130 N HN 0.312 nan 8.380 nan 0.000 0.477 131 T N 1.074 115.695 114.554 0.111 0.000 2.829 131 T HA 0.268 4.618 4.350 -0.000 0.000 0.293 131 T C 0.121 174.901 174.700 0.134 0.000 0.970 131 T CA -0.134 62.034 62.100 0.113 0.000 1.168 131 T CB -1.023 67.878 68.868 0.055 0.000 0.911 131 T HN 0.655 nan 8.240 nan 0.000 0.535 132 C N 2.985 122.402 119.300 0.196 0.000 3.295 132 C HA 0.755 5.215 4.460 -0.000 0.000 0.341 132 C C -1.439 173.741 174.990 0.317 0.000 1.418 132 C CA -1.098 58.052 59.018 0.220 0.000 1.240 132 C CB 1.339 29.203 27.740 0.207 0.000 1.562 132 C HN 0.799 nan 8.230 nan 0.000 0.457 133 Q N -0.312 119.677 119.800 0.316 0.000 2.528 133 Q HA 0.804 5.144 4.340 -0.000 0.000 0.289 133 Q C -1.571 174.713 176.000 0.473 0.000 1.091 133 Q CA -0.270 55.718 55.803 0.309 0.000 0.797 133 Q CB 2.872 31.694 28.738 0.140 0.000 1.466 133 Q HN 0.928 nan 8.270 nan 0.000 0.436 134 W N -0.967 120.428 121.300 0.157 0.000 3.066 134 W HA 0.656 5.316 4.660 -0.000 0.000 0.330 134 W C -1.310 175.323 176.519 0.189 0.000 1.253 134 W CA -0.933 56.484 57.345 0.121 0.000 1.187 134 W CB 0.457 29.946 29.460 0.048 0.000 1.434 134 W HN 0.616 nan 8.180 nan 0.000 0.572 135 T N -0.538 114.181 114.554 0.275 0.000 2.940 135 T HA 0.732 5.082 4.350 -0.000 0.000 0.288 135 T C -1.783 173.122 174.700 0.341 0.000 1.033 135 T CA -0.599 61.632 62.100 0.219 0.000 1.033 135 T CB 2.350 71.315 68.868 0.162 0.000 1.079 135 T HN 1.070 nan 8.240 nan 0.000 0.496 136 Y N -0.457 119.931 120.300 0.147 0.000 2.436 136 Y HA 0.551 5.101 4.550 -0.000 0.000 0.327 136 Y C -0.672 175.315 175.900 0.144 0.000 1.138 136 Y CA -0.615 57.547 58.100 0.103 0.000 1.042 136 Y CB 0.474 38.889 38.460 -0.075 0.000 1.302 136 Y HN 1.183 nan 8.280 nan 0.000 0.439 145 E N 3.169 123.359 120.200 -0.017 0.000 2.259 145 E HA 0.452 4.801 4.350 -0.000 0.000 0.281 145 E C -0.532 176.090 176.600 0.037 0.000 1.037 145 E CA -0.188 56.213 56.400 0.002 0.000 0.854 145 E CB 0.633 30.335 29.700 0.002 0.000 1.051 145 E HN 0.549 nan 8.360 nan 0.000 0.409 146 K N 2.428 122.890 120.400 0.103 0.000 2.295 146 K HA 0.365 4.684 4.320 -0.000 0.000 0.239 146 K C -0.786 175.887 176.600 0.121 0.000 0.991 146 K CA -0.887 55.440 56.287 0.066 0.000 0.845 146 K CB 1.998 34.482 32.500 -0.026 0.000 1.197 146 K HN 0.394 nan 8.250 nan 0.000 0.441 147 T N 1.717 116.253 114.554 -0.030 0.000 2.767 147 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 147 T C -1.023 173.532 174.700 -0.242 0.000 0.963 147 T CA -0.317 61.754 62.100 -0.048 0.000 1.019 147 T CB 0.068 68.906 68.868 -0.051 0.000 0.923 147 T HN 0.225 nan 8.240 nan 0.000 0.468 148 Y N 1.068 121.021 120.300 -0.578 0.000 2.446 148 Y HA 0.588 5.137 4.550 -0.000 0.000 0.338 148 Y C 0.810 176.233 175.900 -0.795 0.000 1.055 148 Y CA -0.938 56.645 58.100 -0.861 0.000 1.101 148 Y CB 1.997 39.368 38.460 -1.814 0.000 1.221 148 Y HN 0.497 nan 8.280 nan 0.000 0.460 149 T N 2.141 116.512 114.554 -0.304 0.000 2.893 149 T HA 0.430 4.780 4.350 -0.000 0.000 0.293 149 T C -2.054 172.743 174.700 0.162 0.000 1.027 149 T CA -0.776 61.295 62.100 -0.049 0.000 0.988 149 T CB 1.148 69.984 68.868 -0.054 0.000 1.043 149 T HN 0.475 nan 8.240 nan 0.000 0.461 150 Y N 0.978 121.414 120.300 0.228 0.000 2.421 150 Y HA 0.676 5.226 4.550 -0.000 0.000 0.339 150 Y C 0.167 176.127 175.900 0.100 0.000 0.996 150 Y CA 0.330 58.553 58.100 0.204 0.000 1.046 150 Y CB 1.463 40.128 38.460 0.342 0.000 1.226 150 Y HN 0.995 nan 8.280 nan 0.000 0.445 151 G N 4.078 112.552 108.800 -0.542 0.000 2.439 151 G HA2 0.117 4.076 3.960 -0.000 0.000 0.186 151 G HA3 0.117 4.076 3.960 -0.000 0.000 0.186 151 G C -1.954 172.746 174.900 -0.333 0.000 1.260 151 G CA -0.420 44.489 45.100 -0.318 0.000 1.020 151 G HN 1.056 nan 8.290 nan 0.000 0.470 152 N N -0.067 118.527 118.700 -0.177 0.000 2.396 152 N HA 0.654 5.393 4.740 -0.000 0.000 0.275 152 N C -0.891 174.558 175.510 -0.103 0.000 1.218 152 N CA -0.040 52.910 53.050 -0.167 0.000 0.812 152 N CB 1.971 40.374 38.487 -0.141 0.000 1.592 152 N HN 1.550 nan 8.380 nan 0.000 0.480 153 A N 1.388 124.145 122.820 -0.104 0.000 2.316 153 A HA 0.525 4.844 4.320 -0.000 0.000 0.324 153 A C -1.892 175.706 177.584 0.023 0.000 1.375 153 A CA -1.327 50.707 52.037 -0.005 0.000 0.882 153 A CB 0.874 19.902 19.000 0.047 0.000 1.152 153 A HN 0.659 nan 8.150 nan 0.000 0.512 154 P HA 0.061 nan 4.420 nan 0.000 0.252 154 P C 0.048 177.542 177.300 0.323 0.000 1.218 154 P CA 0.397 63.572 63.100 0.126 0.000 0.807 154 P CB 0.292 32.033 31.700 0.068 0.000 1.072 155 V N 2.341 122.416 119.914 0.268 0.000 2.353 155 V HA 0.165 4.285 4.120 -0.000 0.000 0.264 155 V C 0.708 176.810 176.094 0.014 0.000 1.049 155 V CA -0.395 61.988 62.300 0.139 0.000 0.896 155 V CB 0.121 31.964 31.823 0.034 0.000 1.025 155 V HN 0.092 nan 8.190 nan 0.000 0.475 156 Q N 3.078 122.740 119.800 -0.231 0.000 2.289 156 Q HA 0.425 4.765 4.340 -0.000 0.000 0.273 156 Q C 0.460 176.274 176.000 -0.309 0.000 1.029 156 Q CA 0.202 55.608 55.803 -0.663 0.000 0.896 156 Q CB 0.920 29.307 28.738 -0.585 0.000 1.182 156 Q HN 0.899 nan 8.270 nan 0.000 0.385 157 G N 2.805 111.446 108.800 -0.265 0.000 2.537 157 G HA2 0.356 4.316 3.960 -0.000 0.000 0.323 157 G HA3 0.356 4.316 3.960 -0.000 0.000 0.323 157 G C 0.350 175.182 174.900 -0.114 0.000 1.207 157 G CA -0.643 44.383 45.100 -0.124 0.000 0.976 157 G HN 0.808 nan 8.290 nan 0.000 0.487 158 I N -0.360 120.162 120.570 -0.080 0.000 2.353 158 I HA 0.027 4.197 4.170 -0.000 0.000 0.248 158 I C 0.885 176.981 176.117 -0.035 0.000 1.119 158 I CA 0.860 62.120 61.300 -0.067 0.000 1.417 158 I CB 0.109 38.064 38.000 -0.075 0.000 1.078 158 I HN 0.369 nan 8.210 nan 0.000 0.421 159 N N -1.007 117.691 118.700 -0.004 0.000 3.116 159 N HA 0.488 5.227 4.740 -0.000 0.000 0.244 159 N C -1.665 173.915 175.510 0.117 0.000 1.485 159 N CA -0.552 52.526 53.050 0.047 0.000 0.884 159 N CB 1.554 40.072 38.487 0.051 0.000 1.415 159 N HN -0.131 nan 8.380 nan 0.000 0.524 160 I N 0.840 121.497 120.570 0.146 0.000 2.499 160 I HA 0.427 4.596 4.170 -0.000 0.000 0.288 160 I C 0.071 176.278 176.117 0.150 0.000 1.048 160 I CA -0.516 60.915 61.300 0.217 0.000 1.062 160 I CB 2.017 40.164 38.000 0.246 0.000 1.238 160 I HN 0.670 nan 8.210 nan 0.000 0.426 161 T N 0.747 115.389 114.554 0.147 0.000 2.724 161 T HA 0.352 4.701 4.350 -0.000 0.000 0.274 161 T C 0.919 175.489 174.700 -0.217 0.000 0.984 161 T CA -0.704 61.374 62.100 -0.036 0.000 1.024 161 T CB 1.424 70.300 68.868 0.014 0.000 1.320 161 T HN 0.695 nan 8.240 nan 0.000 0.555 162 K N 0.048 120.268 120.400 -0.300 0.000 2.211 162 K HA -0.131 4.189 4.320 -0.000 0.000 0.204 162 K C 0.863 177.351 176.600 -0.187 0.000 1.047 162 K CA 1.899 57.975 56.287 -0.350 0.000 0.935 162 K CB -0.418 31.935 32.500 -0.245 0.000 0.728 162 K HN 0.474 nan 8.250 nan 0.000 0.452 163 D N 1.018 121.240 120.400 -0.298 0.000 2.328 163 D HA 0.114 4.754 4.640 -0.000 0.000 0.226 163 D C 0.863 176.964 176.300 -0.333 0.000 1.066 163 D CA 1.021 54.751 54.000 -0.451 0.000 0.861 163 D CB 0.636 40.883 40.800 -0.922 0.000 0.912 163 D HN 0.544 nan 8.370 nan 0.000 0.521 164 G N 1.277 110.100 108.800 0.040 0.000 2.500 164 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.209 164 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.209 164 G C -0.570 174.586 174.900 0.426 0.000 1.283 164 G CA -0.587 44.691 45.100 0.296 0.000 0.960 164 G HN 0.243 nan 8.290 nan 0.000 0.528 165 I N 1.292 122.143 120.570 0.467 0.000 2.471 165 I HA 0.368 4.538 4.170 -0.000 0.000 0.286 165 I C 0.892 177.207 176.117 0.330 0.000 1.079 165 I CA -0.289 61.226 61.300 0.359 0.000 1.398 165 I CB 0.774 38.924 38.000 0.250 0.000 1.403 165 I HN 0.652 nan 8.210 nan 0.000 0.530 166 Q N 6.810 126.713 119.800 0.171 0.000 2.296 166 Q HA 0.217 4.557 4.340 -0.000 0.000 0.262 166 Q C -0.324 175.609 176.000 -0.112 0.000 0.981 166 Q CA -0.207 55.497 55.803 -0.164 0.000 0.905 166 Q CB 1.086 29.659 28.738 -0.274 0.000 1.186 166 Q HN 0.839 nan 8.270 nan 0.000 0.399 167 L N 2.816 123.954 121.223 -0.141 0.000 2.731 167 L HA 0.464 4.804 4.340 -0.000 0.000 0.240 167 L C 0.687 177.493 176.870 -0.106 0.000 1.120 167 L CA 0.089 54.866 54.840 -0.105 0.000 0.913 167 L CB 0.936 42.938 42.059 -0.095 0.000 1.213 167 L HN 0.742 nan 8.230 nan 0.000 0.515 168 G N -0.936 107.783 108.800 -0.134 0.000 2.550 168 G HA2 0.501 4.461 3.960 -0.000 0.000 0.293 168 G HA3 0.501 4.461 3.960 -0.000 0.000 0.293 168 G C -1.464 173.360 174.900 -0.127 0.000 1.402 168 G CA -0.231 44.806 45.100 -0.106 0.000 0.784 168 G HN -0.261 nan 8.290 nan 0.000 0.482 169 T N 0.727 115.226 114.554 -0.092 0.000 2.876 169 T HA 0.592 4.942 4.350 -0.000 0.000 0.289 169 T C -0.787 173.878 174.700 -0.058 0.000 1.014 169 T CA -0.433 61.616 62.100 -0.084 0.000 0.986 169 T CB 1.731 70.560 68.868 -0.065 0.000 1.021 169 T HN 0.844 nan 8.240 nan 0.000 0.458 170 D N 0.278 120.649 120.400 -0.049 0.000 2.387 170 D HA 0.325 4.965 4.640 -0.000 0.000 0.255 170 D C 1.340 177.628 176.300 -0.020 0.000 1.081 170 D CA -0.528 53.455 54.000 -0.029 0.000 0.994 170 D CB 0.026 40.815 40.800 -0.019 0.000 1.127 170 D HN 0.291 nan 8.370 nan 0.000 0.513 171 T N -0.356 114.191 114.554 -0.013 0.000 2.701 171 T HA -0.226 4.123 4.350 -0.000 0.000 0.265 171 T C 0.476 175.171 174.700 -0.008 0.000 1.032 171 T CA 2.206 64.301 62.100 -0.009 0.000 1.158 171 T CB -0.539 68.326 68.868 -0.004 0.000 0.854 171 T HN 0.516 nan 8.240 nan 0.000 0.463 172 D N 0.047 120.443 120.400 -0.006 0.000 2.319 172 D HA 0.169 4.808 4.640 -0.000 0.000 0.230 172 D C 0.761 177.057 176.300 -0.007 0.000 1.094 172 D CA 0.240 54.237 54.000 -0.004 0.000 0.856 172 D CB -0.125 40.675 40.800 0.001 0.000 0.915 172 D HN 0.338 nan 8.370 nan 0.000 0.517 173 D N -1.707 118.685 120.400 -0.014 0.000 3.077 173 D HA -0.189 4.451 4.640 -0.000 0.000 0.212 173 D C 0.221 176.509 176.300 -0.021 0.000 1.125 173 D CA 1.374 55.363 54.000 -0.018 0.000 0.970 173 D CB -1.245 39.547 40.800 -0.012 0.000 1.110 173 D HN 0.365 nan 8.370 nan 0.000 0.419 174 Q N -0.503 119.285 119.800 -0.020 0.000 2.230 174 Q HA 0.661 5.001 4.340 -0.000 0.000 0.248 174 Q C -2.533 173.430 176.000 -0.062 0.000 0.915 174 Q CA -1.026 54.765 55.803 -0.020 0.000 0.900 174 Q CB 0.445 29.186 28.738 0.005 0.000 1.229 174 Q HN 0.169 nan 8.270 nan 0.000 0.439 175 P HA 0.294 nan 4.420 nan 0.000 0.269 175 P C -0.767 176.351 177.300 -0.303 0.000 1.215 175 P CA -0.017 62.922 63.100 -0.268 0.000 0.780 175 P CB 0.526 31.970 31.700 -0.428 0.000 0.898 176 I N 2.308 122.659 120.570 -0.364 0.000 2.389 176 I HA 0.302 4.471 4.170 -0.000 0.000 0.288 176 I C -0.297 175.598 176.117 -0.369 0.000 0.999 176 I CA -0.694 60.458 61.300 -0.246 0.000 1.129 176 I CB 0.844 38.770 38.000 -0.123 0.000 1.288 176 I HN 0.298 nan 8.210 nan 0.000 0.444 177 Y N 3.817 124.121 120.300 0.008 0.000 2.403 177 Y HA 0.574 5.124 4.550 -0.001 0.000 0.323 177 Y C 0.882 176.765 175.900 -0.028 0.000 1.226 177 Y CA -0.764 57.346 58.100 0.016 0.000 1.235 177 Y CB 1.238 39.731 38.460 0.055 0.000 1.248 177 Y HN 0.597 nan 8.280 nan 0.000 0.489 178 A N 1.859 124.745 122.820 0.110 0.000 2.584 178 A HA -0.055 4.264 4.320 -0.000 0.000 0.239 178 A C -0.042 177.493 177.584 -0.081 0.000 1.043 178 A CA -0.095 51.874 52.037 -0.113 0.000 0.756 178 A CB -0.260 18.553 19.000 -0.312 0.000 0.963 178 A HN 0.689 nan 8.150 nan 0.000 0.511 179 D N 2.159 122.429 120.400 -0.216 0.000 2.325 179 D HA 0.067 4.707 4.640 -0.000 0.000 0.251 179 D C 1.325 177.483 176.300 -0.236 0.000 1.196 179 D CA -0.179 53.732 54.000 -0.148 0.000 0.866 179 D CB 0.851 41.579 40.800 -0.120 0.000 1.101 179 D HN 0.630 nan 8.370 nan 0.000 0.476 180 K N 1.504 121.872 120.400 -0.052 0.000 2.283 180 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 180 K C 1.430 177.983 176.600 -0.078 0.000 1.048 180 K CA 1.370 57.655 56.287 -0.003 0.000 0.948 180 K CB -0.341 32.306 32.500 0.245 0.000 0.742 180 K HN 0.383 nan 8.250 nan 0.000 0.458 181 T N -1.496 113.005 114.554 -0.089 0.000 2.915 181 T HA -0.179 4.171 4.350 -0.000 0.000 0.269 181 T C 1.586 176.217 174.700 -0.116 0.000 1.071 181 T CA 0.976 62.938 62.100 -0.229 0.000 1.132 181 T CB -0.467 68.250 68.868 -0.252 0.000 0.878 181 T HN 0.692 nan 8.240 nan 0.000 0.479 182 Y N -0.848 119.338 120.300 -0.191 0.000 2.515 182 Y HA 0.535 5.084 4.550 -0.001 0.000 0.267 182 Y C 0.418 176.224 175.900 -0.157 0.000 1.058 182 Y CA -1.205 56.800 58.100 -0.159 0.000 1.231 182 Y CB 0.415 38.804 38.460 -0.118 0.000 1.350 182 Y HN 0.126 nan 8.280 nan 0.000 0.554 183 Q N 3.557 122.929 119.800 -0.713 0.000 2.306 183 Q HA 0.446 4.786 4.340 -0.000 0.000 0.265 183 Q C -2.731 172.841 176.000 -0.713 0.000 1.022 183 Q CA -2.643 52.785 55.803 -0.626 0.000 0.853 183 Q CB 1.872 30.189 28.738 -0.702 0.000 1.327 183 Q HN 0.004 nan 8.270 nan 0.000 0.449 184 P HA -0.011 nan 4.420 nan 0.000 0.271 184 P C -0.987 176.195 177.300 -0.196 0.000 1.218 184 P CA 0.012 62.920 63.100 -0.320 0.000 0.780 184 P CB 0.662 32.237 31.700 -0.208 0.000 0.901 185 E N 3.743 123.876 120.200 -0.111 0.000 2.283 185 E HA 0.140 4.490 4.350 -0.000 0.000 0.278 185 E C -1.312 175.280 176.600 -0.013 0.000 1.027 185 E CA -1.555 54.822 56.400 -0.038 0.000 0.843 185 E CB 0.290 29.994 29.700 0.006 0.000 1.062 185 E HN 0.372 nan 8.360 nan 0.000 0.401 186 P HA -0.209 nan 4.420 nan 0.000 0.225 186 P C 0.773 178.090 177.300 0.029 0.000 1.148 186 P CA 1.065 64.176 63.100 0.018 0.000 0.779 186 P CB 0.319 32.033 31.700 0.022 0.000 0.780 187 Q N -0.579 119.240 119.800 0.030 0.000 2.424 187 Q HA 0.064 4.403 4.340 -0.000 0.000 0.204 187 Q C 0.498 176.521 176.000 0.037 0.000 0.933 187 Q CA 0.512 56.337 55.803 0.037 0.000 0.929 187 Q CB -0.620 28.141 28.738 0.039 0.000 1.037 187 Q HN 0.082 nan 8.270 nan 0.000 0.511 188 V N 0.835 120.768 119.914 0.032 0.000 2.617 188 V HA 0.764 4.883 4.120 -0.000 0.000 0.298 188 V C 0.470 176.593 176.094 0.048 0.000 1.048 188 V CA 0.173 62.492 62.300 0.033 0.000 0.964 188 V CB 1.366 33.200 31.823 0.018 0.000 1.004 188 V HN 0.482 nan 8.190 nan 0.000 0.466 189 G N 2.031 110.865 108.800 0.056 0.000 2.548 189 G HA2 0.410 4.370 3.960 -0.000 0.000 0.301 189 G HA3 0.410 4.370 3.960 -0.000 0.000 0.301 189 G C -1.645 173.306 174.900 0.085 0.000 1.349 189 G CA -0.786 44.365 45.100 0.085 0.000 0.792 189 G HN 0.491 nan 8.290 nan 0.000 0.481 190 D N 0.164 120.636 120.400 0.120 0.000 2.472 190 D HA 0.369 5.008 4.640 -0.000 0.000 0.237 190 D C 1.233 177.571 176.300 0.064 0.000 1.141 190 D CA 0.678 54.735 54.000 0.095 0.000 0.875 190 D CB 1.661 42.540 40.800 0.132 0.000 1.192 190 D HN 0.540 nan 8.370 nan 0.000 0.450 191 A N 2.400 125.241 122.820 0.035 0.000 2.147 191 A HA 0.054 4.373 4.320 -0.000 0.000 0.211 191 A C 0.706 178.302 177.584 0.020 0.000 1.160 191 A CA 0.630 52.682 52.037 0.025 0.000 0.781 191 A CB -0.050 18.955 19.000 0.007 0.000 0.842 191 A HN 0.669 nan 8.150 nan 0.000 0.475 192 E N -0.738 119.461 120.200 -0.001 0.000 2.446 192 E HA 0.408 4.758 4.350 -0.000 0.000 0.276 192 E C -0.412 176.191 176.600 0.006 0.000 0.969 192 E CA -1.338 55.042 56.400 -0.033 0.000 0.800 192 E CB 0.344 29.948 29.700 -0.160 0.000 1.341 192 E HN 0.416 nan 8.360 nan 0.000 0.460 193 W N 0.296 121.620 121.300 0.039 0.000 2.112 193 W HA 0.512 5.171 4.660 -0.000 0.000 0.349 193 W C -0.355 176.186 176.519 0.038 0.000 1.289 193 W CA 0.739 58.107 57.345 0.039 0.000 1.256 193 W CB -0.675 28.810 29.460 0.041 0.000 1.148 193 W HN 0.987 nan 8.180 nan 0.000 0.590 202 K N 0.237 120.625 120.400 -0.021 0.000 2.159 202 K HA 0.733 5.053 4.320 -0.000 0.000 0.266 202 K C -1.312 175.208 176.600 -0.133 0.000 0.975 202 K CA -0.575 55.731 56.287 0.032 0.000 0.865 202 K CB 1.223 33.744 32.500 0.034 0.000 1.087 202 K HN 0.166 nan 8.250 nan 0.000 0.446 203 Y N -0.438 119.900 120.300 0.063 0.000 2.545 203 Y HA 0.623 5.173 4.550 -0.000 0.000 0.348 203 Y C 0.499 176.448 175.900 0.082 0.000 1.002 203 Y CA -0.832 57.301 58.100 0.055 0.000 1.039 203 Y CB 2.619 41.096 38.460 0.028 0.000 1.271 203 Y HN 0.687 nan 8.280 nan 0.000 0.467 204 G N -0.452 108.491 108.800 0.238 0.000 2.569 204 G HA2 0.704 4.664 3.960 -0.000 0.000 0.300 204 G HA3 0.704 4.664 3.960 -0.000 0.000 0.300 204 G C -0.938 174.059 174.900 0.161 0.000 1.269 204 G CA -0.607 44.617 45.100 0.206 0.000 0.959 204 G HN 0.930 nan 8.290 nan 0.000 0.478 205 G N -0.753 108.147 108.800 0.167 0.000 2.559 205 G HA2 0.608 4.568 3.960 -0.000 0.000 0.291 205 G HA3 0.608 4.568 3.960 -0.000 0.000 0.291 205 G C -1.291 173.694 174.900 0.141 0.000 1.424 205 G CA -0.967 44.196 45.100 0.104 0.000 0.786 205 G HN 0.648 nan 8.290 nan 0.000 0.485 206 R N -0.829 119.723 120.500 0.086 0.000 2.720 206 R HA 0.834 5.173 4.340 -0.000 0.000 0.272 206 R C -0.589 175.760 176.300 0.083 0.000 0.991 206 R CA -0.575 55.585 56.100 0.099 0.000 1.010 206 R CB 2.151 32.480 30.300 0.048 0.000 1.141 206 R HN 0.872 nan 8.270 nan 0.000 0.494 207 A N 1.971 124.843 122.820 0.086 0.000 2.520 207 A HA 0.424 4.744 4.320 -0.000 0.000 0.298 207 A C -0.913 176.720 177.584 0.081 0.000 1.051 207 A CA -0.786 51.300 52.037 0.082 0.000 0.690 207 A CB 1.210 20.263 19.000 0.087 0.000 1.281 207 A HN 0.554 nan 8.150 nan 0.000 0.402 208 L N 2.476 123.752 121.223 0.088 0.000 2.367 208 L HA 0.233 4.573 4.340 -0.000 0.000 0.275 208 L C 0.645 177.576 176.870 0.102 0.000 1.129 208 L CA -0.208 54.682 54.840 0.084 0.000 0.839 208 L CB 0.614 42.722 42.059 0.082 0.000 1.133 208 L HN 0.730 nan 8.230 nan 0.000 0.453 209 K N 3.825 124.276 120.400 0.086 0.000 2.230 209 K HA 0.103 4.423 4.320 -0.000 0.000 0.253 209 K C -1.494 175.173 176.600 0.112 0.000 1.008 209 K CA -1.345 54.996 56.287 0.089 0.000 0.910 209 K CB 0.404 32.943 32.500 0.065 0.000 0.994 209 K HN 0.282 nan 8.250 nan 0.000 0.495 210 P HA -0.160 nan 4.420 nan 0.000 0.216 210 P C 0.099 177.469 177.300 0.117 0.000 1.150 210 P CA 1.298 64.490 63.100 0.153 0.000 0.837 210 P CB 0.196 31.987 31.700 0.151 0.000 0.786 211 D N -1.622 118.830 120.400 0.086 0.000 2.350 211 D HA -0.038 4.601 4.640 -0.000 0.000 0.216 211 D C 0.216 176.552 176.300 0.060 0.000 0.968 211 D CA 1.008 55.048 54.000 0.067 0.000 0.894 211 D CB -0.657 40.176 40.800 0.054 0.000 0.909 211 D HN 0.152 nan 8.370 nan 0.000 0.520 212 T N 2.080 116.674 114.554 0.065 0.000 2.875 212 T HA 0.141 4.490 4.350 -0.000 0.000 0.307 212 T C 0.374 175.110 174.700 0.060 0.000 1.013 212 T CA -0.507 61.626 62.100 0.054 0.000 0.970 212 T CB 0.648 69.545 68.868 0.049 0.000 0.986 212 T HN -0.082 nan 8.240 nan 0.000 0.536 213 K N 3.555 123.984 120.400 0.049 0.000 2.484 213 K HA 0.157 4.477 4.320 -0.000 0.000 0.280 213 K C 0.637 177.260 176.600 0.038 0.000 1.013 213 K CA 0.033 56.347 56.287 0.044 0.000 1.029 213 K CB 0.384 32.903 32.500 0.031 0.000 0.902 213 K HN 0.531 nan 8.250 nan 0.000 0.481 214 M N 3.039 122.660 119.600 0.035 0.000 2.248 214 M HA -0.034 4.446 4.480 -0.000 0.000 0.343 214 M C 0.210 176.520 176.300 0.016 0.000 1.243 214 M CA 1.017 56.333 55.300 0.026 0.000 1.025 214 M CB 0.266 32.862 32.600 -0.006 0.000 1.759 214 M HN 0.274 nan 8.290 nan 0.000 0.452 215 K N 3.431 123.848 120.400 0.028 0.000 2.469 215 K HA 0.544 4.864 4.320 -0.000 0.000 0.254 215 K C -2.645 173.983 176.600 0.046 0.000 0.939 215 K CA -2.036 54.271 56.287 0.032 0.000 0.812 215 K CB 1.525 34.049 32.500 0.040 0.000 1.301 215 K HN 0.205 nan 8.250 nan 0.000 0.433 216 P HA -0.040 nan 4.420 nan 0.000 0.263 216 P C 1.034 178.403 177.300 0.115 0.000 1.175 216 P CA 0.006 63.154 63.100 0.082 0.000 0.761 216 P CB 0.442 32.199 31.700 0.096 0.000 0.794 217 C N 4.383 123.753 119.300 0.117 0.000 2.385 217 C HA -0.217 4.243 4.460 -0.000 0.000 0.275 217 C C 1.424 176.510 174.990 0.160 0.000 1.207 217 C CA 0.575 59.668 59.018 0.125 0.000 1.760 217 C CB -1.606 26.207 27.740 0.123 0.000 2.051 217 C HN 0.554 nan 8.230 nan 0.000 0.467 218 Y N 1.062 121.400 120.300 0.064 0.000 2.745 218 Y HA 0.384 4.933 4.550 -0.000 0.000 0.335 218 Y C 1.197 177.152 175.900 0.093 0.000 1.212 218 Y CA 1.190 59.335 58.100 0.074 0.000 1.535 218 Y CB -0.072 38.414 38.460 0.043 0.000 1.220 218 Y HN 0.648 nan 8.280 nan 0.000 0.531 219 G N 3.021 111.686 108.800 -0.225 0.000 2.195 219 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.246 219 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.246 219 G C 0.192 175.153 174.900 0.101 0.000 0.984 219 G CA 0.095 45.178 45.100 -0.028 0.000 0.633 219 G HN 0.692 nan 8.290 nan 0.000 0.525 220 S N 0.424 116.176 115.700 0.086 0.000 2.505 220 S HA 0.628 5.098 4.470 -0.000 0.000 0.276 220 S C -0.558 174.046 174.600 0.007 0.000 1.274 220 S CA -0.092 58.136 58.200 0.047 0.000 1.053 220 S CB 0.645 63.875 63.200 0.051 0.000 0.919 220 S HN 0.796 nan 8.310 nan 0.000 0.490 221 F N 2.806 122.582 119.950 -0.290 0.000 2.565 221 F HA 0.735 5.262 4.527 -0.000 0.000 0.313 221 F C -0.814 174.849 175.800 -0.228 0.000 1.091 221 F CA -0.709 57.032 58.000 -0.432 0.000 0.915 221 F CB 1.274 39.640 39.000 -1.057 0.000 1.208 221 F HN 0.539 nan 8.300 nan 0.000 0.453 222 A N 5.739 127.850 122.820 -1.180 0.000 2.437 222 A HA 0.505 4.824 4.320 -0.000 0.000 0.293 222 A C -1.307 175.598 177.584 -1.132 0.000 1.038 222 A CA -0.998 50.495 52.037 -0.907 0.000 0.708 222 A CB 0.994 19.770 19.000 -0.372 0.000 1.251 222 A HN 0.879 nan 8.150 nan 0.000 0.409 223 K N 3.119 123.009 120.400 -0.849 0.000 2.485 223 K HA 0.333 4.653 4.320 -0.000 0.000 0.277 223 K C -2.404 174.077 176.600 -0.198 0.000 0.990 223 K CA -0.774 55.287 56.287 -0.377 0.000 0.994 223 K CB 0.227 32.725 32.500 -0.003 0.000 0.906 223 K HN 0.339 nan 8.250 nan 0.000 0.488 224 P HA -0.014 nan 4.420 nan 0.000 0.271 224 P C -0.081 177.231 177.300 0.021 0.000 1.218 224 P CA -0.248 62.835 63.100 -0.028 0.000 0.780 224 P CB 0.990 32.693 31.700 0.005 0.000 0.901 225 T N -2.162 112.426 114.554 0.056 0.000 3.084 225 T HA 0.218 4.568 4.350 -0.000 0.000 0.270 225 T C 0.252 175.061 174.700 0.181 0.000 1.008 225 T CA -0.323 61.856 62.100 0.132 0.000 0.900 225 T CB -0.651 68.346 68.868 0.216 0.000 1.084 225 T HN 0.586 nan 8.240 nan 0.000 0.538 226 N N -1.203 117.555 118.700 0.097 0.000 2.825 226 N HA 0.533 5.273 4.740 -0.000 0.000 0.253 226 N C 0.613 176.126 175.510 0.005 0.000 1.426 226 N CA -0.502 52.593 53.050 0.075 0.000 0.851 226 N CB 0.821 39.361 38.487 0.088 0.000 1.470 226 N HN -0.044 nan 8.380 nan 0.000 0.517 227 K N -0.588 119.798 120.400 -0.024 0.000 2.365 227 K HA 0.042 4.362 4.320 -0.000 0.000 0.199 227 K C 0.906 177.443 176.600 -0.104 0.000 1.045 227 K CA 1.495 57.752 56.287 -0.050 0.000 0.962 227 K CB -0.849 31.620 32.500 -0.053 0.000 0.759 227 K HN 0.711 nan 8.250 nan 0.000 0.469 228 E N -1.033 119.061 120.200 -0.177 0.000 2.437 228 E HA 0.281 4.630 4.350 -0.000 0.000 0.189 228 E C 1.170 177.718 176.600 -0.087 0.000 1.054 228 E CA 0.581 56.817 56.400 -0.272 0.000 0.874 228 E CB 0.234 29.457 29.700 -0.796 0.000 1.011 228 E HN 0.602 nan 8.360 nan 0.000 0.474 229 G N -0.119 108.657 108.800 -0.040 0.000 2.176 229 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.253 229 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.253 229 G C 0.699 175.594 174.900 -0.008 0.000 0.979 229 G CA -0.225 44.871 45.100 -0.005 0.000 0.641 229 G HN 0.570 nan 8.290 nan 0.000 0.530 230 G N -0.640 108.152 108.800 -0.014 0.000 2.554 230 G HA2 0.449 4.409 3.960 -0.000 0.000 0.238 230 G HA3 0.449 4.409 3.960 -0.000 0.000 0.238 230 G C 0.516 175.384 174.900 -0.053 0.000 1.259 230 G CA 0.520 45.591 45.100 -0.048 0.000 0.843 230 G HN 0.507 nan 8.290 nan 0.000 0.582 231 Q N 0.114 119.881 119.800 -0.056 0.000 2.164 231 Q HA 0.349 4.689 4.340 -0.000 0.000 0.226 231 Q C 1.101 177.098 176.000 -0.004 0.000 0.813 231 Q CA -0.289 55.484 55.803 -0.051 0.000 0.978 231 Q CB 1.138 29.815 28.738 -0.102 0.000 1.149 231 Q HN 0.691 nan 8.270 nan 0.000 0.489 232 A N 1.612 124.441 122.820 0.014 0.000 2.531 232 A HA 0.084 4.403 4.320 -0.000 0.000 0.236 232 A C 0.007 177.709 177.584 0.196 0.000 1.062 232 A CA -0.284 51.809 52.037 0.093 0.000 0.760 232 A CB 0.185 19.236 19.000 0.085 0.000 0.995 232 A HN 0.207 nan 8.150 nan 0.000 0.501 233 N N 0.606 119.385 118.700 0.133 0.000 2.492 233 N HA 0.218 4.957 4.740 -0.000 0.000 0.260 233 N C -0.291 175.286 175.510 0.113 0.000 1.215 233 N CA -0.091 53.020 53.050 0.101 0.000 0.923 233 N CB 0.895 39.417 38.487 0.058 0.000 1.092 233 N HN 0.345 nan 8.380 nan 0.000 0.448 234 V N 2.954 122.888 119.914 0.034 0.000 2.488 234 V HA 0.094 4.214 4.120 -0.000 0.000 0.277 234 V C 0.868 176.930 176.094 -0.053 0.000 1.046 234 V CA -0.448 61.800 62.300 -0.088 0.000 0.986 234 V CB 0.450 32.181 31.823 -0.153 0.000 0.989 234 V HN 0.447 nan 8.190 nan 0.000 0.475 235 K N 3.078 123.442 120.400 -0.061 0.000 2.295 235 K HA 0.464 4.784 4.320 -0.000 0.000 0.270 235 K C 0.782 177.361 176.600 -0.034 0.000 1.011 235 K CA 0.391 56.661 56.287 -0.028 0.000 0.953 235 K CB 0.526 33.017 32.500 -0.015 0.000 0.956 235 K HN 0.883 nan 8.250 nan 0.000 0.477 236 T N 0.401 114.945 114.554 -0.017 0.000 3.243 236 T HA 0.273 4.623 4.350 -0.000 0.000 0.264 236 T C 0.980 175.673 174.700 -0.013 0.000 1.000 236 T CA 0.106 62.196 62.100 -0.017 0.000 0.901 236 T CB -0.283 68.580 68.868 -0.010 0.000 1.083 236 T HN 0.704 nan 8.240 nan 0.000 0.559 237 G N 0.229 109.021 108.800 -0.013 0.000 2.136 237 G HA2 0.166 4.126 3.960 -0.000 0.000 0.242 237 G HA3 0.166 4.126 3.960 -0.000 0.000 0.242 237 G C 0.592 175.477 174.900 -0.024 0.000 0.989 237 G CA 0.529 45.616 45.100 -0.021 0.000 0.682 237 G HN 1.293 nan 8.290 nan 0.000 0.522 238 T N -0.850 113.694 114.554 -0.017 0.000 2.616 238 T HA 0.661 5.011 4.350 -0.000 0.000 0.327 238 T C 2.197 176.886 174.700 -0.018 0.000 1.049 238 T CA 2.466 64.556 62.100 -0.017 0.000 1.022 238 T CB 0.293 69.155 68.868 -0.011 0.000 1.009 238 T HN 2.437 nan 8.240 nan 0.000 0.535 239 G N -1.719 107.072 108.800 -0.016 0.000 2.660 239 G HA2 0.336 4.295 3.960 -0.000 0.000 0.215 239 G HA3 0.336 4.295 3.960 -0.000 0.000 0.215 239 G C 0.990 175.879 174.900 -0.018 0.000 1.345 239 G CA 0.752 45.844 45.100 -0.014 0.000 0.877 239 G HN 1.747 nan 8.290 nan 0.000 0.549 240 T N -0.948 113.597 114.554 -0.015 0.000 3.067 240 T HA 0.627 4.977 4.350 -0.000 0.000 0.261 240 T C 1.766 176.453 174.700 -0.023 0.000 1.110 240 T CA 2.589 64.679 62.100 -0.016 0.000 1.113 240 T CB -0.572 68.291 68.868 -0.009 0.000 0.917 240 T HN 2.267 nan 8.240 nan 0.000 0.499 241 T N 1.944 116.483 114.554 -0.025 0.000 2.738 241 T HA 0.554 4.903 4.350 -0.000 0.000 0.293 241 T C 0.444 175.105 174.700 -0.066 0.000 0.913 241 T CA 0.042 62.124 62.100 -0.030 0.000 1.103 241 T CB -0.791 68.067 68.868 -0.016 0.000 0.880 241 T HN 0.698 nan 8.240 nan 0.000 0.526 242 K N 2.367 122.714 120.400 -0.088 0.000 2.361 242 K HA 0.563 4.882 4.320 -0.000 0.000 0.283 242 K C 0.159 176.608 176.600 -0.252 0.000 1.078 242 K CA 0.326 56.498 56.287 -0.192 0.000 1.041 242 K CB -1.134 31.248 32.500 -0.198 0.000 0.932 242 K HN 1.198 nan 8.250 nan 0.000 0.462 243 E N 1.951 121.994 120.200 -0.261 0.000 2.199 243 E HA 0.660 5.010 4.350 -0.000 0.000 0.269 243 E C -1.249 175.214 176.600 -0.228 0.000 0.899 243 E CA -0.825 55.478 56.400 -0.161 0.000 0.772 243 E CB 0.840 30.511 29.700 -0.049 0.000 1.155 243 E HN 0.612 nan 8.360 nan 0.000 0.408 244 Y N 0.870 121.187 120.300 0.028 0.000 2.387 244 Y HA 0.339 4.889 4.550 -0.000 0.000 0.336 244 Y C 0.535 176.451 175.900 0.026 0.000 1.067 244 Y CA -1.060 57.057 58.100 0.029 0.000 1.114 244 Y CB 2.112 40.596 38.460 0.039 0.000 1.208 244 Y HN 0.608 nan 8.280 nan 0.000 0.458 245 D N 4.382 124.889 120.400 0.178 0.000 2.489 245 D HA 0.203 4.842 4.640 -0.000 0.000 0.237 245 D C -0.887 175.478 176.300 0.108 0.000 1.212 245 D CA 0.543 54.608 54.000 0.109 0.000 1.058 245 D CB -0.605 40.240 40.800 0.076 0.000 1.098 245 D HN 0.434 nan 8.370 nan 0.000 0.509 246 I N 1.778 122.410 120.570 0.105 0.000 2.569 246 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 246 I C -0.820 175.320 176.117 0.038 0.000 1.088 246 I CA -0.900 60.446 61.300 0.076 0.000 1.047 246 I CB 2.270 40.327 38.000 0.095 0.000 1.237 246 I HN -0.005 nan 8.210 nan 0.000 0.421 247 D N 5.812 126.204 120.400 -0.013 0.000 2.934 247 D HA 0.472 5.112 4.640 -0.000 0.000 0.230 247 D C -0.690 175.488 176.300 -0.203 0.000 1.204 247 D CA -0.548 53.404 54.000 -0.079 0.000 0.873 247 D CB 2.118 42.883 40.800 -0.057 0.000 1.645 247 D HN 0.314 nan 8.370 nan 0.000 0.502 248 M N 1.603 120.991 119.600 -0.353 0.000 2.238 248 M HA 0.527 5.007 4.480 -0.000 0.000 0.347 248 M C -0.345 175.600 176.300 -0.592 0.000 1.173 248 M CA -0.098 54.795 55.300 -0.679 0.000 1.147 248 M CB 1.044 33.094 32.600 -0.917 0.000 1.547 248 M HN 0.477 nan 8.290 nan 0.000 0.455 249 A N 3.872 126.294 122.820 -0.662 0.000 2.332 249 A HA 0.752 5.072 4.320 -0.000 0.000 0.300 249 A C -1.308 175.837 177.584 -0.732 0.000 1.153 249 A CA -0.606 51.104 52.037 -0.545 0.000 0.764 249 A CB 0.495 19.324 19.000 -0.285 0.000 1.174 249 A HN 0.708 nan 8.150 nan 0.000 0.467 250 F N 1.335 120.997 119.950 -0.481 0.000 2.399 250 F HA 0.758 5.284 4.527 -0.000 0.000 0.334 250 F C -0.269 175.150 175.800 -0.635 0.000 1.097 250 F CA -0.213 57.574 58.000 -0.356 0.000 1.076 250 F CB 1.440 40.314 39.000 -0.211 0.000 1.162 250 F HN 0.463 nan 8.300 nan 0.000 0.495 251 F N 0.630 120.665 119.950 0.141 0.000 2.588 251 F HA 0.444 4.971 4.527 -0.000 0.000 0.310 251 F C -0.593 175.246 175.800 0.065 0.000 1.082 251 F CA -0.944 57.093 58.000 0.061 0.000 0.929 251 F CB 1.883 40.894 39.000 0.018 0.000 1.254 251 F HN 0.298 nan 8.300 nan 0.000 0.455 252 D N 0.186 120.717 120.400 0.219 0.000 2.552 252 D HA 0.273 4.912 4.640 -0.000 0.000 0.239 252 D C -0.918 175.451 176.300 0.114 0.000 1.139 252 D CA -0.639 53.444 54.000 0.137 0.000 0.914 252 D CB 1.563 42.409 40.800 0.077 0.000 1.461 252 D HN 0.433 nan 8.370 nan 0.000 0.462 253 N N 1.246 119.993 118.700 0.078 0.000 2.412 253 N HA -0.046 4.693 4.740 -0.000 0.000 0.254 253 N C 1.075 176.613 175.510 0.047 0.000 1.232 253 N CA 0.176 53.258 53.050 0.054 0.000 0.880 253 N CB 1.015 39.525 38.487 0.038 0.000 1.076 253 N HN 0.407 nan 8.380 nan 0.000 0.458 254 R N 1.556 122.080 120.500 0.041 0.000 2.105 254 R HA -0.151 4.189 4.340 -0.000 0.000 0.239 254 R C 1.780 178.094 176.300 0.023 0.000 1.135 254 R CA 1.879 57.998 56.100 0.032 0.000 0.967 254 R CB -0.060 30.258 30.300 0.029 0.000 0.861 254 R HN 0.684 nan 8.270 nan 0.000 0.442 255 S N -0.329 115.384 115.700 0.022 0.000 2.561 255 S HA 0.180 4.650 4.470 -0.000 0.000 0.225 255 S C 0.764 175.373 174.600 0.016 0.000 0.977 255 S CA 0.090 58.300 58.200 0.017 0.000 0.926 255 S CB 0.070 63.280 63.200 0.015 0.000 0.769 255 S HN 0.404 nan 8.310 nan 0.000 0.533 256 A N 1.643 124.475 122.820 0.019 0.000 2.520 256 A HA 0.596 4.915 4.320 -0.000 0.000 0.235 256 A C 0.745 178.335 177.584 0.010 0.000 1.065 256 A CA 0.030 52.077 52.037 0.017 0.000 0.764 256 A CB -0.437 18.576 19.000 0.022 0.000 1.002 256 A HN 0.913 nan 8.150 nan 0.000 0.502 257 A N 1.457 124.281 122.820 0.008 0.000 2.492 257 A HA 0.470 4.790 4.320 -0.000 0.000 0.254 257 A C 1.453 179.037 177.584 -0.001 0.000 1.091 257 A CA 0.331 52.370 52.037 0.003 0.000 0.768 257 A CB -0.274 18.727 19.000 0.002 0.000 1.028 257 A HN 2.001 nan 8.150 nan 0.000 0.498 258 A N 2.799 125.618 122.820 -0.003 0.000 2.019 258 A HA 0.155 4.475 4.320 -0.000 0.000 0.219 258 A C 2.146 179.723 177.584 -0.012 0.000 1.164 258 A CA 1.972 54.004 52.037 -0.008 0.000 0.644 258 A CB -0.489 18.505 19.000 -0.009 0.000 0.805 258 A HN 1.624 nan 8.150 nan 0.000 0.449 259 A N -1.011 121.803 122.820 -0.010 0.000 2.167 259 A HA 0.364 4.683 4.320 -0.000 0.000 0.214 259 A C 1.657 179.233 177.584 -0.013 0.000 1.151 259 A CA 1.122 53.151 52.037 -0.013 0.000 0.735 259 A CB -0.399 18.595 19.000 -0.010 0.000 0.802 259 A HN 0.818 nan 8.150 nan 0.000 0.467 260 G N -0.174 108.620 108.800 -0.010 0.000 4.222 260 G HA2 0.475 4.435 3.960 -0.000 0.000 0.301 260 G HA3 0.475 4.435 3.960 -0.000 0.000 0.301 260 G C -0.078 174.817 174.900 -0.009 0.000 1.171 260 G CA -0.408 44.686 45.100 -0.009 0.000 0.937 260 G HN 0.271 nan 8.290 nan 0.000 0.557 261 L N 1.408 122.622 121.223 -0.015 0.000 2.410 261 L HA 0.558 4.898 4.340 -0.000 0.000 0.273 261 L C 0.495 177.351 176.870 -0.024 0.000 1.152 261 L CA -0.077 54.754 54.840 -0.015 0.000 0.855 261 L CB 1.171 43.217 42.059 -0.023 0.000 1.129 261 L HN 0.262 nan 8.230 nan 0.000 0.463 262 A N 5.310 128.124 122.820 -0.010 0.000 2.606 262 A HA 0.792 5.111 4.320 -0.000 0.000 0.293 262 A C -2.794 174.804 177.584 0.024 0.000 1.082 262 A CA -1.325 50.702 52.037 -0.017 0.000 0.685 262 A CB 1.686 20.679 19.000 -0.011 0.000 1.284 262 A HN 0.408 nan 8.150 nan 0.000 0.408 263 P HA 0.295 nan 4.420 nan 0.000 0.276 263 P C -0.027 177.362 177.300 0.149 0.000 1.235 263 P CA 0.215 63.397 63.100 0.137 0.000 0.772 263 P CB 0.970 32.813 31.700 0.238 0.000 0.871 264 E N 1.838 122.140 120.200 0.170 0.000 2.307 264 E HA 0.203 4.553 4.350 -0.000 0.000 0.195 264 E C 0.594 177.314 176.600 0.201 0.000 0.975 264 E CA 0.563 57.059 56.400 0.160 0.000 0.878 264 E CB 0.443 30.222 29.700 0.132 0.000 0.845 264 E HN 0.484 nan 8.360 nan 0.000 0.488 265 I N 0.496 121.212 120.570 0.243 0.000 2.619 265 I HA 0.241 4.411 4.170 -0.000 0.000 0.292 265 I C -1.043 175.262 176.117 0.314 0.000 1.100 265 I CA -0.912 60.538 61.300 0.250 0.000 1.043 265 I CB 3.067 41.158 38.000 0.153 0.000 1.239 265 I HN -0.297 nan 8.210 nan 0.000 0.420 266 V N 7.399 127.447 119.914 0.222 0.000 2.540 266 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 266 V C -1.053 175.083 176.094 0.070 0.000 1.035 266 V CA -0.396 61.924 62.300 0.032 0.000 0.873 266 V CB 2.055 33.796 31.823 -0.136 0.000 0.992 266 V HN 0.513 nan 8.190 nan 0.000 0.428 267 L N 6.647 127.876 121.223 0.010 0.000 2.322 267 L HA 0.525 4.864 4.340 -0.000 0.000 0.281 267 L C -1.348 175.464 176.870 -0.097 0.000 1.014 267 L CA -0.717 54.171 54.840 0.080 0.000 0.815 267 L CB 1.909 44.058 42.059 0.150 0.000 1.247 267 L HN 0.614 nan 8.230 nan 0.000 0.421 268 Y N 1.350 121.616 120.300 -0.057 0.000 2.691 268 Y HA 0.154 4.704 4.550 -0.001 0.000 0.338 268 Y C 1.062 176.940 175.900 -0.036 0.000 1.148 268 Y CA -0.793 57.264 58.100 -0.071 0.000 1.430 268 Y CB 0.433 38.851 38.460 -0.071 0.000 1.303 268 Y HN 0.470 nan 8.280 nan 0.000 0.499 269 T N 0.730 115.295 114.554 0.019 0.000 2.897 269 T HA 0.590 4.939 4.350 -0.000 0.000 0.294 269 T C -0.321 174.406 174.700 0.045 0.000 1.004 269 T CA -0.680 61.444 62.100 0.039 0.000 1.106 269 T CB 1.088 69.968 68.868 0.019 0.000 0.949 269 T HN 0.690 nan 8.240 nan 0.000 0.520 270 E N 1.912 122.145 120.200 0.055 0.000 2.407 270 E HA 0.368 4.718 4.350 -0.000 0.000 0.279 270 E C -1.385 175.246 176.600 0.053 0.000 1.012 270 E CA -1.237 55.196 56.400 0.055 0.000 0.800 270 E CB 1.107 30.838 29.700 0.053 0.000 1.276 270 E HN 0.461 nan 8.360 nan 0.000 0.452 271 N N 0.772 119.505 118.700 0.054 0.000 2.479 271 N HA 0.425 5.165 4.740 -0.000 0.000 0.285 271 N C -0.376 175.158 175.510 0.040 0.000 1.075 271 N CA -0.269 52.810 53.050 0.047 0.000 0.967 271 N CB 1.988 40.503 38.487 0.047 0.000 1.137 271 N HN 0.492 nan 8.380 nan 0.000 0.472 272 V N -1.310 118.617 119.914 0.021 0.000 3.126 272 V HA 0.471 4.591 4.120 -0.000 0.000 0.314 272 V C -0.228 175.859 176.094 -0.013 0.000 1.138 272 V CA -1.020 61.278 62.300 -0.003 0.000 1.034 272 V CB 2.037 33.839 31.823 -0.036 0.000 1.075 272 V HN 0.381 nan 8.190 nan 0.000 0.442 273 D N 2.056 122.435 120.400 -0.036 0.000 2.551 273 D HA 0.255 4.895 4.640 -0.000 0.000 0.223 273 D C -0.398 175.867 176.300 -0.057 0.000 1.144 273 D CA -0.067 53.915 54.000 -0.031 0.000 1.025 273 D CB 0.043 40.831 40.800 -0.020 0.000 1.085 273 D HN 0.599 nan 8.370 nan 0.000 0.506 274 L N 3.845 125.047 121.223 -0.034 0.000 2.361 274 L HA 0.247 4.587 4.340 -0.000 0.000 0.278 274 L C 0.225 177.096 176.870 0.001 0.000 1.113 274 L CA 0.232 55.050 54.840 -0.036 0.000 0.849 274 L CB 0.315 42.368 42.059 -0.011 0.000 1.155 274 L HN 0.343 nan 8.230 nan 0.000 0.452 275 E N 1.887 122.097 120.200 0.016 0.000 2.410 275 E HA 0.632 4.982 4.350 -0.000 0.000 0.269 275 E C -1.185 175.442 176.600 0.045 0.000 0.937 275 E CA -0.774 55.659 56.400 0.054 0.000 0.793 275 E CB 1.548 31.306 29.700 0.097 0.000 1.314 275 E HN 0.446 nan 8.360 nan 0.000 0.447 276 T N -1.542 113.042 114.554 0.049 0.000 3.327 276 T HA 0.312 4.662 4.350 -0.000 0.000 0.373 276 T C -2.359 172.383 174.700 0.069 0.000 1.589 276 T CA -1.609 60.527 62.100 0.060 0.000 1.497 276 T CB 0.776 69.689 68.868 0.076 0.000 1.032 276 T HN 0.173 nan 8.240 nan 0.000 0.640 277 P HA 0.080 nan 4.420 nan 0.000 0.223 277 P C 0.603 177.948 177.300 0.074 0.000 1.151 277 P CA 0.819 63.949 63.100 0.050 0.000 0.787 277 P CB 0.256 31.969 31.700 0.022 0.000 0.788 278 D N -2.218 118.263 120.400 0.134 0.000 2.479 278 D HA 0.068 4.708 4.640 -0.000 0.000 0.221 278 D C 0.496 176.864 176.300 0.114 0.000 1.104 278 D CA 0.729 54.798 54.000 0.116 0.000 0.849 278 D CB 0.711 41.638 40.800 0.211 0.000 1.072 278 D HN 0.190 nan 8.370 nan 0.000 0.502 279 T N -1.829 112.815 114.554 0.149 0.000 2.865 279 T HA 0.572 4.922 4.350 -0.000 0.000 0.294 279 T C -0.530 174.290 174.700 0.200 0.000 1.119 279 T CA -0.894 61.313 62.100 0.179 0.000 1.007 279 T CB 2.546 71.521 68.868 0.179 0.000 1.225 279 T HN 0.071 nan 8.240 nan 0.000 0.515 280 H N -0.284 118.826 119.070 0.068 0.000 2.946 280 H HA 0.563 5.119 4.556 -0.001 0.000 0.365 280 H C -1.058 174.290 175.328 0.032 0.000 1.197 280 H CA -1.409 54.660 56.048 0.033 0.000 1.131 280 H CB 0.780 30.541 29.762 -0.002 0.000 1.849 280 H HN 0.499 nan 8.280 nan 0.000 0.555 281 I N 2.160 122.728 120.570 -0.003 0.000 2.496 281 I HA -0.039 4.130 4.170 -0.000 0.000 0.285 281 I C 1.169 177.247 176.117 -0.065 0.000 1.080 281 I CA -0.109 61.160 61.300 -0.052 0.000 1.404 281 I CB 1.239 39.228 38.000 -0.018 0.000 1.403 281 I HN 0.544 nan 8.210 nan 0.000 0.539 282 V N 7.883 127.740 119.914 -0.095 0.000 3.612 282 V HA 0.160 4.279 4.120 -0.000 0.000 0.268 282 V C -0.620 175.512 176.094 0.062 0.000 1.365 282 V CA 0.196 62.468 62.300 -0.047 0.000 1.044 282 V CB 0.313 32.059 31.823 -0.129 0.000 0.820 282 V HN 0.701 nan 8.190 nan 0.000 0.444 283 Y N 2.020 122.280 120.300 -0.067 0.000 2.479 283 Y HA 0.601 5.151 4.550 -0.001 0.000 0.338 283 Y C -0.649 175.220 175.900 -0.051 0.000 1.055 283 Y CA -1.279 56.792 58.100 -0.048 0.000 1.023 283 Y CB 1.336 39.765 38.460 -0.053 0.000 1.287 283 Y HN 0.241 nan 8.280 nan 0.000 0.447 284 K N 3.104 122.979 120.400 -0.875 0.000 2.532 284 K HA 0.823 5.143 4.320 -0.000 0.000 0.265 284 K C -0.618 175.393 176.600 -0.983 0.000 0.948 284 K CA -0.491 55.365 56.287 -0.718 0.000 0.842 284 K CB 1.759 34.080 32.500 -0.299 0.000 1.392 284 K HN 0.537 nan 8.250 nan 0.000 0.436 285 A N 1.333 123.844 122.820 -0.515 0.000 1.972 285 A HA 0.134 4.453 4.320 -0.000 0.000 0.219 285 A C 0.938 178.398 177.584 -0.207 0.000 1.169 285 A CA 1.888 53.765 52.037 -0.266 0.000 0.635 285 A CB -0.650 18.310 19.000 -0.067 0.000 0.810 285 A HN 0.890 nan 8.150 nan 0.000 0.446 286 G N -3.109 105.573 108.800 -0.196 0.000 2.815 286 G HA2 0.381 4.340 3.960 -0.000 0.000 0.305 286 G HA3 0.381 4.340 3.960 -0.000 0.000 0.305 286 G C 0.627 175.457 174.900 -0.117 0.000 1.277 286 G CA 0.735 45.761 45.100 -0.124 0.000 0.795 286 G HN 0.413 nan 8.290 nan 0.000 0.528 287 T N -2.150 112.359 114.554 -0.076 0.000 2.985 287 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 287 T C 0.760 175.428 174.700 -0.053 0.000 1.076 287 T CA 1.176 63.240 62.100 -0.060 0.000 1.135 287 T CB -0.147 68.698 68.868 -0.037 0.000 0.890 287 T HN 0.413 nan 8.240 nan 0.000 0.480 288 D N 3.028 123.397 120.400 -0.052 0.000 2.458 288 D HA 0.091 4.731 4.640 -0.000 0.000 0.243 288 D C 0.474 176.743 176.300 -0.052 0.000 1.146 288 D CA -0.071 53.904 54.000 -0.042 0.000 0.877 288 D CB 0.716 41.494 40.800 -0.036 0.000 1.176 288 D HN 0.428 nan 8.370 nan 0.000 0.461 289 D N 0.632 121.012 120.400 -0.034 0.000 2.431 289 D HA 0.027 4.666 4.640 -0.000 0.000 0.213 289 D C -0.110 176.178 176.300 -0.020 0.000 1.130 289 D CA -0.379 53.602 54.000 -0.033 0.000 0.834 289 D CB -0.502 40.285 40.800 -0.021 0.000 0.985 289 D HN 0.201 nan 8.370 nan 0.000 0.504 290 S N -0.466 115.227 115.700 -0.012 0.000 2.614 290 S HA 0.342 4.811 4.470 -0.000 0.000 0.265 290 S C 0.458 175.058 174.600 -0.001 0.000 1.303 290 S CA -0.751 57.456 58.200 0.011 0.000 1.000 290 S CB 0.904 64.124 63.200 0.034 0.000 0.935 290 S HN 0.052 nan 8.310 nan 0.000 0.551 291 S N 2.076 117.802 115.700 0.044 0.000 2.544 291 S HA 0.426 4.896 4.470 -0.000 0.000 0.290 291 S C 0.349 174.955 174.600 0.011 0.000 1.276 291 S CA -0.168 58.067 58.200 0.058 0.000 1.075 291 S CB -0.563 62.742 63.200 0.175 0.000 0.849 291 S HN 1.031 nan 8.310 nan 0.000 0.494 292 S N 1.296 116.834 115.700 -0.269 0.000 2.615 292 S HA 0.468 4.938 4.470 -0.000 0.000 0.269 292 S C 0.765 174.645 174.600 -1.201 0.000 1.161 292 S CA -0.378 57.463 58.200 -0.599 0.000 0.817 292 S CB 1.107 64.126 63.200 -0.301 0.000 1.131 292 S HN 0.373 nan 8.310 nan 0.000 0.467 293 S N 0.024 114.815 115.700 -1.516 0.000 2.353 293 S HA -0.140 4.329 4.470 -0.000 0.000 0.222 293 S C 1.752 175.933 174.600 -0.698 0.000 1.035 293 S CA 1.769 59.203 58.200 -1.276 0.000 1.025 293 S CB -0.863 61.924 63.200 -0.688 0.000 0.902 293 S HN 0.716 nan 8.310 nan 0.000 0.440 294 I N 2.696 122.982 120.570 -0.474 0.000 2.264 294 I HA -0.158 4.011 4.170 -0.000 0.000 0.248 294 I C 1.551 177.508 176.117 -0.267 0.000 1.111 294 I CA 1.530 62.652 61.300 -0.296 0.000 1.382 294 I CB -0.453 37.425 38.000 -0.203 0.000 1.060 294 I HN 0.269 nan 8.210 nan 0.000 0.418 295 N N 0.202 118.718 118.700 -0.307 0.000 2.571 295 N HA -0.022 4.718 4.740 -0.000 0.000 0.189 295 N C 1.713 177.084 175.510 -0.232 0.000 1.154 295 N CA 0.587 53.500 53.050 -0.229 0.000 0.907 295 N CB -0.277 38.098 38.487 -0.187 0.000 0.977 295 N HN 0.416 nan 8.380 nan 0.000 0.449 296 L N -0.660 120.358 121.223 -0.343 0.000 2.265 296 L HA -0.069 4.271 4.340 -0.000 0.000 0.215 296 L C 1.830 178.579 176.870 -0.202 0.000 1.117 296 L CA 1.077 55.734 54.840 -0.304 0.000 0.782 296 L CB -0.252 41.520 42.059 -0.478 0.000 0.914 296 L HN 0.168 nan 8.230 nan 0.000 0.441 297 G N -1.420 107.279 108.800 -0.168 0.000 3.393 297 G HA2 0.120 4.079 3.960 -0.000 0.000 0.255 297 G HA3 0.120 4.079 3.960 -0.000 0.000 0.255 297 G C 0.345 175.244 174.900 -0.001 0.000 1.097 297 G CA -0.415 44.630 45.100 -0.091 0.000 0.780 297 G HN 0.247 nan 8.290 nan 0.000 0.540 298 Q N 0.341 120.137 119.800 -0.008 0.000 2.386 298 Q HA 0.210 4.549 4.340 -0.000 0.000 0.282 298 Q C -0.328 175.694 176.000 0.037 0.000 1.050 298 Q CA 0.707 56.529 55.803 0.031 0.000 0.918 298 Q CB 0.549 29.273 28.738 -0.024 0.000 1.266 298 Q HN 0.372 nan 8.270 nan 0.000 0.423 299 Q N 0.226 120.063 119.800 0.062 0.000 2.342 299 Q HA 0.663 5.003 4.340 -0.000 0.000 0.267 299 Q C -1.324 174.659 176.000 -0.029 0.000 1.038 299 Q CA -0.605 55.203 55.803 0.008 0.000 0.832 299 Q CB 2.138 30.878 28.738 0.005 0.000 1.323 299 Q HN 0.681 nan 8.270 nan 0.000 0.448 300 A N 2.477 125.267 122.820 -0.051 0.000 2.325 300 A HA 0.816 5.135 4.320 -0.000 0.000 0.333 300 A C -1.011 176.471 177.584 -0.169 0.000 1.155 300 A CA -0.559 51.447 52.037 -0.053 0.000 0.814 300 A CB 1.081 20.174 19.000 0.154 0.000 1.206 300 A HN 0.785 nan 8.150 nan 0.000 0.482 301 M N 2.980 122.429 119.600 -0.251 0.000 2.518 301 M HA 0.491 4.971 4.480 -0.000 0.000 0.300 301 M C -2.674 173.603 176.300 -0.037 0.000 1.175 301 M CA -2.327 52.843 55.300 -0.216 0.000 0.890 301 M CB 2.918 35.345 32.600 -0.289 0.000 1.710 301 M HN 0.442 nan 8.290 nan 0.000 0.453 302 P HA 0.070 nan 4.420 nan 0.000 0.271 302 P C -1.280 176.118 177.300 0.165 0.000 1.216 302 P CA -0.113 63.107 63.100 0.200 0.000 0.776 302 P CB 0.203 32.021 31.700 0.197 0.000 0.881 303 N N 2.457 121.260 118.700 0.171 0.000 2.374 303 N HA 0.013 4.753 4.740 -0.000 0.000 0.241 303 N C 0.597 176.087 175.510 -0.035 0.000 1.262 303 N CA 0.254 53.379 53.050 0.124 0.000 0.880 303 N CB -0.001 38.563 38.487 0.129 0.000 1.105 303 N HN 0.292 nan 8.380 nan 0.000 0.438 304 R N 1.954 122.386 120.500 -0.114 0.000 2.570 304 R HA 0.101 4.441 4.340 -0.000 0.000 0.277 304 R C -1.894 174.291 176.300 -0.191 0.000 1.039 304 R CA -0.908 55.061 56.100 -0.219 0.000 1.065 304 R CB -0.148 29.941 30.300 -0.353 0.000 0.964 304 R HN 0.430 nan 8.270 nan 0.000 0.428 305 P HA -0.018 nan 4.420 nan 0.000 0.269 305 P C -0.892 176.231 177.300 -0.296 0.000 1.209 305 P CA -0.021 62.824 63.100 -0.426 0.000 0.776 305 P CB 0.604 32.008 31.700 -0.494 0.000 0.876 306 N N 1.976 120.441 118.700 -0.392 0.000 2.621 306 N HA 0.195 4.935 4.740 -0.000 0.000 0.271 306 N C -1.514 173.866 175.510 -0.216 0.000 1.181 306 N CA -0.442 52.501 53.050 -0.179 0.000 0.805 306 N CB 0.060 38.531 38.487 -0.027 0.000 1.351 306 N HN 0.125 nan 8.380 nan 0.000 0.539 307 Y N 2.242 122.583 120.300 0.068 0.000 2.397 307 Y HA 0.402 4.952 4.550 -0.001 0.000 0.335 307 Y C 0.709 176.724 175.900 0.191 0.000 1.213 307 Y CA 0.101 58.301 58.100 0.166 0.000 1.391 307 Y CB 0.814 39.359 38.460 0.143 0.000 1.293 307 Y HN 0.300 nan 8.280 nan 0.000 0.557 308 I N 2.320 123.142 120.570 0.420 0.000 2.548 308 I HA 0.586 4.756 4.170 -0.000 0.000 0.287 308 I C 0.110 176.177 176.117 -0.084 0.000 1.103 308 I CA -0.391 60.962 61.300 0.088 0.000 1.049 308 I CB 1.896 39.882 38.000 -0.023 0.000 1.232 308 I HN 0.747 nan 8.210 nan 0.000 0.429 309 G N 4.201 112.931 108.800 -0.117 0.000 2.788 309 G HA2 0.680 4.640 3.960 -0.000 0.000 0.293 309 G HA3 0.680 4.640 3.960 -0.000 0.000 0.293 309 G C -1.268 173.484 174.900 -0.247 0.000 1.392 309 G CA -0.562 44.408 45.100 -0.216 0.000 0.810 309 G HN 0.200 nan 8.290 nan 0.000 0.508 310 F N 0.624 120.558 119.950 -0.026 0.000 2.435 310 F HA 0.472 4.998 4.527 -0.001 0.000 0.316 310 F C 1.672 177.467 175.800 -0.008 0.000 1.220 310 F CA -0.150 57.874 58.000 0.039 0.000 1.241 310 F CB 0.692 39.826 39.000 0.223 0.000 1.234 310 F HN 0.184 nan 8.300 nan 0.000 0.569 311 R N 0.041 120.686 120.500 0.242 0.000 2.580 311 R HA 0.174 4.513 4.340 -0.000 0.000 0.267 311 R C -0.838 175.453 176.300 -0.015 0.000 1.125 311 R CA -0.969 55.191 56.100 0.099 0.000 1.188 311 R CB 0.168 30.543 30.300 0.125 0.000 1.155 311 R HN 0.459 nan 8.270 nan 0.000 0.586 312 D N 0.588 120.974 120.400 -0.023 0.000 2.493 312 D HA -0.068 4.572 4.640 -0.000 0.000 0.240 312 D C -0.297 175.977 176.300 -0.043 0.000 1.142 312 D CA 0.804 54.770 54.000 -0.057 0.000 0.872 312 D CB 0.007 40.796 40.800 -0.019 0.000 1.173 312 D HN 0.612 nan 8.370 nan 0.000 0.467 313 N N 2.664 121.304 118.700 -0.100 0.000 2.714 313 N HA -0.284 4.456 4.740 -0.000 0.000 0.250 313 N C -0.148 175.395 175.510 0.055 0.000 1.117 313 N CA 0.534 53.578 53.050 -0.010 0.000 0.719 313 N CB -1.596 36.962 38.487 0.118 0.000 1.081 313 N HN 0.540 nan 8.380 nan 0.000 0.557 314 F N -2.096 117.906 119.950 0.086 0.000 3.100 314 F HA -0.286 4.241 4.527 -0.000 0.000 0.284 314 F C 0.566 176.407 175.800 0.068 0.000 0.875 314 F CA 0.090 58.127 58.000 0.062 0.000 1.039 314 F CB -1.480 37.532 39.000 0.019 0.000 1.111 314 F HN 0.204 nan 8.300 nan 0.000 0.575 315 I N 0.781 121.463 120.570 0.187 0.000 2.845 315 I HA 0.044 4.213 4.170 -0.000 0.000 0.296 315 I C 1.546 177.767 176.117 0.173 0.000 1.216 315 I CA 1.759 63.153 61.300 0.158 0.000 1.438 315 I CB 0.203 38.268 38.000 0.108 0.000 1.342 315 I HN 0.537 nan 8.210 nan 0.000 0.577 316 G N 4.265 113.148 108.800 0.139 0.000 2.317 316 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.227 316 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.227 316 G C 0.843 175.758 174.900 0.025 0.000 1.042 316 G CA 0.305 45.452 45.100 0.078 0.000 0.623 316 G HN 0.546 nan 8.290 nan 0.000 0.509 317 L N 0.387 121.669 121.223 0.099 0.000 2.012 317 L HA 0.171 4.511 4.340 -0.000 0.000 0.210 317 L C 1.859 178.693 176.870 -0.060 0.000 1.073 317 L CA 1.490 56.388 54.840 0.097 0.000 0.748 317 L CB -0.219 41.905 42.059 0.108 0.000 0.891 317 L HN 0.401 nan 8.230 nan 0.000 0.431 318 M N -1.992 117.479 119.600 -0.216 0.000 2.423 318 M HA 0.238 4.718 4.480 -0.000 0.000 0.335 318 M C -1.177 174.842 176.300 -0.468 0.000 1.177 318 M CA -0.488 54.486 55.300 -0.544 0.000 1.038 318 M CB 1.487 33.597 32.600 -0.818 0.000 1.641 318 M HN -0.203 nan 8.290 nan 0.000 0.455 319 Y N 1.600 121.682 120.300 -0.363 0.000 2.336 319 Y HA 0.333 4.882 4.550 -0.001 0.000 0.335 319 Y C -0.949 174.786 175.900 -0.276 0.000 1.046 319 Y CA 0.357 58.323 58.100 -0.223 0.000 1.198 319 Y CB 0.466 38.808 38.460 -0.197 0.000 1.182 319 Y HN 0.415 nan 8.280 nan 0.000 0.502 320 Y N 0.630 121.108 120.300 0.295 0.000 2.512 320 Y HA 0.262 4.811 4.550 -0.000 0.000 0.348 320 Y C 0.081 176.107 175.900 0.210 0.000 0.990 320 Y CA -1.946 56.320 58.100 0.276 0.000 1.033 320 Y CB 1.658 40.293 38.460 0.292 0.000 1.259 320 Y HN 0.689 nan 8.280 nan 0.000 0.461 321 N N 0.224 119.122 118.700 0.329 0.000 2.758 321 N HA -0.199 4.540 4.740 -0.000 0.000 0.248 321 N C -0.486 175.117 175.510 0.156 0.000 1.076 321 N CA 0.767 53.961 53.050 0.240 0.000 0.696 321 N CB -1.003 37.652 38.487 0.280 0.000 0.979 321 N HN 0.367 nan 8.380 nan 0.000 0.550 322 S N 0.039 115.794 115.700 0.091 0.000 2.569 322 S HA 0.128 4.598 4.470 -0.000 0.000 0.215 322 S C 0.129 174.698 174.600 -0.052 0.000 1.096 322 S CA -0.217 58.013 58.200 0.050 0.000 1.183 322 S CB 0.155 63.435 63.200 0.133 0.000 1.324 322 S HN 0.389 nan 8.310 nan 0.000 0.421 323 T N -0.181 114.344 114.554 -0.048 0.000 2.800 323 T HA 0.416 4.765 4.350 -0.000 0.000 0.283 323 T C 1.415 176.056 174.700 -0.098 0.000 0.999 323 T CA 0.995 63.044 62.100 -0.087 0.000 1.176 323 T CB 0.541 69.372 68.868 -0.062 0.000 0.973 323 T HN 0.880 nan 8.240 nan 0.000 0.519 324 G N 3.605 112.317 108.800 -0.145 0.000 2.699 324 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.198 324 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.198 324 G C 0.098 174.834 174.900 -0.273 0.000 1.033 324 G CA -0.135 44.863 45.100 -0.170 0.000 0.728 324 G HN 0.844 nan 8.290 nan 0.000 0.484 325 N N 0.059 118.557 118.700 -0.336 0.000 2.581 325 N HA 0.364 5.104 4.740 -0.000 0.000 0.274 325 N C -0.299 174.918 175.510 -0.489 0.000 1.629 325 N CA -0.238 52.512 53.050 -0.499 0.000 0.884 325 N CB 0.690 38.621 38.487 -0.926 0.000 1.423 325 N HN 0.312 nan 8.380 nan 0.000 0.507 326 M N 0.884 120.227 119.600 -0.428 0.000 2.250 326 M HA 0.361 4.841 4.480 -0.000 0.000 0.344 326 M C 0.837 176.680 176.300 -0.763 0.000 1.150 326 M CA -0.201 54.806 55.300 -0.488 0.000 1.147 326 M CB 0.640 33.044 32.600 -0.326 0.000 1.498 326 M HN 0.350 nan 8.290 nan 0.000 0.461 327 G N 2.271 110.328 108.800 -1.239 0.000 2.539 327 G HA2 0.467 4.426 3.960 -0.000 0.000 0.258 327 G HA3 0.467 4.426 3.960 -0.000 0.000 0.258 327 G C -0.916 173.605 174.900 -0.630 0.000 1.202 327 G CA -0.564 43.480 45.100 -1.760 0.000 0.851 327 G HN 0.585 nan 8.290 nan 0.000 0.556 328 V N 1.257 120.998 119.914 -0.287 0.000 2.513 328 V HA 0.577 4.697 4.120 -0.000 0.000 0.299 328 V C -0.470 175.771 176.094 0.246 0.000 1.035 328 V CA -0.696 61.596 62.300 -0.012 0.000 0.889 328 V CB 1.438 33.261 31.823 -0.001 0.000 0.988 328 V HN 0.606 nan 8.190 nan 0.000 0.440 329 L N 4.246 125.593 121.223 0.208 0.000 2.476 329 L HA 0.947 5.287 4.340 -0.000 0.000 0.269 329 L C -0.419 176.557 176.870 0.177 0.000 0.965 329 L CA -0.051 54.918 54.840 0.215 0.000 0.845 329 L CB 1.603 43.741 42.059 0.131 0.000 1.259 329 L HN 0.895 nan 8.230 nan 0.000 0.403 330 A N 3.025 125.971 122.820 0.209 0.000 2.589 330 A HA 0.746 5.066 4.320 -0.000 0.000 0.296 330 A C -0.381 177.310 177.584 0.178 0.000 1.062 330 A CA -0.184 51.958 52.037 0.174 0.000 0.686 330 A CB 1.048 20.109 19.000 0.101 0.000 1.282 330 A HN 0.969 nan 8.150 nan 0.000 0.404 331 G N 0.029 108.876 108.800 0.078 0.000 2.340 331 G HA2 0.366 4.325 3.960 -0.000 0.000 0.245 331 G HA3 0.366 4.325 3.960 -0.000 0.000 0.245 331 G C 0.497 175.334 174.900 -0.104 0.000 1.294 331 G CA 0.138 45.138 45.100 -0.166 0.000 0.896 331 G HN 0.879 nan 8.290 nan 0.000 0.522 332 Q N 1.339 121.052 119.800 -0.144 0.000 2.152 332 Q HA -0.113 4.226 4.340 -0.000 0.000 0.206 332 Q C 1.843 177.811 176.000 -0.053 0.000 0.985 332 Q CA 1.205 56.969 55.803 -0.065 0.000 0.863 332 Q CB -0.054 28.641 28.738 -0.070 0.000 0.904 332 Q HN 0.681 nan 8.270 nan 0.000 0.422 333 A N -0.554 122.221 122.820 -0.075 0.000 2.410 333 A HA 0.473 4.792 4.320 -0.000 0.000 0.292 333 A C 0.690 178.251 177.584 -0.038 0.000 1.232 333 A CA 0.828 52.833 52.037 -0.052 0.000 0.893 333 A CB -0.429 18.535 19.000 -0.060 0.000 1.131 333 A HN 0.516 nan 8.150 nan 0.000 0.530 334 S N 0.398 116.087 115.700 -0.017 0.000 1.235 334 S HA 0.225 4.695 4.470 -0.000 0.000 0.253 334 S C 1.541 176.145 174.600 0.005 0.000 0.613 334 S CA 1.314 59.513 58.200 -0.002 0.000 0.987 334 S CB -1.973 61.229 63.200 0.005 0.000 0.951 334 S HN 2.490 nan 8.310 nan 0.000 0.486 335 Q N -1.388 118.415 119.800 0.005 0.000 2.408 335 Q HA 0.321 4.661 4.340 -0.000 0.000 0.290 335 Q C 1.293 177.309 176.000 0.025 0.000 1.221 335 Q CA 2.346 58.159 55.803 0.016 0.000 0.895 335 Q CB -2.930 25.811 28.738 0.006 0.000 1.241 335 Q HN 2.721 nan 8.270 nan 0.000 0.494 336 L N 0.341 121.587 121.223 0.038 0.000 2.264 336 L HA 0.776 5.116 4.340 -0.000 0.000 0.289 336 L C 0.559 177.469 176.870 0.067 0.000 1.044 336 L CA -0.348 54.520 54.840 0.046 0.000 0.807 336 L CB 1.617 43.707 42.059 0.051 0.000 1.192 336 L HN 0.592 nan 8.230 nan 0.000 0.425 337 N N 3.210 121.942 118.700 0.054 0.000 2.406 337 N HA 0.287 5.026 4.740 -0.000 0.000 0.269 337 N C 1.390 176.967 175.510 0.111 0.000 1.210 337 N CA 0.545 53.632 53.050 0.061 0.000 0.966 337 N CB 1.262 39.752 38.487 0.005 0.000 1.293 337 N HN 0.884 nan 8.380 nan 0.000 0.491 338 A N 3.168 126.077 122.820 0.148 0.000 2.148 338 A HA -0.111 4.209 4.320 -0.000 0.000 0.222 338 A C 0.773 178.533 177.584 0.293 0.000 1.161 338 A CA 0.893 53.050 52.037 0.199 0.000 0.662 338 A CB -0.102 18.994 19.000 0.159 0.000 0.799 338 A HN 0.388 nan 8.150 nan 0.000 0.466 339 V N 0.896 120.933 119.914 0.204 0.000 2.385 339 V HA 0.352 4.472 4.120 -0.000 0.000 0.269 339 V C -0.434 175.667 176.094 0.011 0.000 1.043 339 V CA -0.323 62.084 62.300 0.179 0.000 0.906 339 V CB 1.158 32.987 31.823 0.010 0.000 0.995 339 V HN 0.093 nan 8.190 nan 0.000 0.467 340 V N 4.523 124.372 119.914 -0.108 0.000 2.407 340 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 340 V C -0.425 175.510 176.094 -0.266 0.000 1.018 340 V CA -0.422 61.669 62.300 -0.348 0.000 0.842 340 V CB 1.768 33.199 31.823 -0.654 0.000 0.996 340 V HN 0.834 nan 8.190 nan 0.000 0.426 341 D N 3.420 123.746 120.400 -0.123 0.000 2.374 341 D HA 0.775 5.415 4.640 -0.000 0.000 0.239 341 D C -0.962 175.366 176.300 0.046 0.000 0.991 341 D CA -0.282 53.742 54.000 0.040 0.000 0.960 341 D CB 2.281 43.059 40.800 -0.037 0.000 1.284 341 D HN 0.343 nan 8.370 nan 0.000 0.512 342 L N 1.275 122.578 121.223 0.134 0.000 2.376 342 L HA 0.325 4.665 4.340 -0.000 0.000 0.258 342 L C 0.932 177.881 176.870 0.131 0.000 1.013 342 L CA -0.705 54.197 54.840 0.104 0.000 0.822 342 L CB 2.173 44.306 42.059 0.123 0.000 1.388 342 L HN 0.337 nan 8.230 nan 0.000 0.413 343 Q N 0.268 120.126 119.800 0.097 0.000 2.311 343 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 343 Q C 0.768 176.844 176.000 0.127 0.000 0.954 343 Q CA 1.195 57.058 55.803 0.100 0.000 0.885 343 Q CB 0.333 29.105 28.738 0.056 0.000 0.963 343 Q HN 0.720 nan 8.270 nan 0.000 0.471 344 D N -0.761 119.716 120.400 0.130 0.000 2.319 344 D HA -0.042 4.598 4.640 -0.000 0.000 0.230 344 D C 0.127 176.539 176.300 0.187 0.000 1.094 344 D CA 0.013 54.110 54.000 0.161 0.000 0.856 344 D CB -0.086 40.804 40.800 0.150 0.000 0.915 344 D HN 0.044 nan 8.370 nan 0.000 0.517 345 R N 0.189 120.805 120.500 0.194 0.000 2.573 345 R HA 0.359 4.698 4.340 -0.000 0.000 0.272 345 R C -0.894 175.529 176.300 0.204 0.000 1.009 345 R CA -0.687 55.527 56.100 0.191 0.000 1.059 345 R CB 0.672 31.116 30.300 0.239 0.000 1.112 345 R HN -0.121 nan 8.270 nan 0.000 0.517 346 N N 1.313 120.096 118.700 0.138 0.000 2.664 346 N HA 0.140 4.879 4.740 -0.000 0.000 0.257 346 N C -0.610 174.921 175.510 0.035 0.000 1.108 346 N CA -0.248 52.849 53.050 0.078 0.000 0.822 346 N CB 1.675 40.124 38.487 -0.064 0.000 1.199 346 N HN 0.576 nan 8.380 nan 0.000 0.529 347 T N 1.148 115.740 114.554 0.064 0.000 2.896 347 T HA 0.001 4.350 4.350 -0.000 0.000 0.263 347 T C 1.329 175.951 174.700 -0.129 0.000 1.050 347 T CA 0.869 62.942 62.100 -0.045 0.000 1.140 347 T CB 0.288 69.066 68.868 -0.151 0.000 0.877 347 T HN 0.420 nan 8.240 nan 0.000 0.457 348 E N 1.082 121.226 120.200 -0.093 0.000 2.072 348 E HA -0.058 4.292 4.350 -0.000 0.000 0.191 348 E C 2.204 178.790 176.600 -0.022 0.000 0.985 348 E CA 0.758 57.126 56.400 -0.054 0.000 0.801 348 E CB -0.425 29.293 29.700 0.030 0.000 0.750 348 E HN 0.296 nan 8.360 nan 0.000 0.452 349 L N 1.083 122.267 121.223 -0.064 0.000 2.027 349 L HA -0.103 4.236 4.340 -0.000 0.000 0.206 349 L C 2.511 179.363 176.870 -0.031 0.000 1.074 349 L CA 1.744 56.537 54.840 -0.079 0.000 0.745 349 L CB -0.819 41.172 42.059 -0.113 0.000 0.898 349 L HN -0.003 nan 8.230 nan 0.000 0.433 350 S N -1.529 114.172 115.700 0.002 0.000 2.365 350 S HA -0.339 4.131 4.470 -0.000 0.000 0.225 350 S C 2.148 176.785 174.600 0.060 0.000 1.039 350 S CA 1.863 60.098 58.200 0.058 0.000 1.033 350 S CB -0.709 62.514 63.200 0.039 0.000 0.887 350 S HN 0.615 nan 8.310 nan 0.000 0.447 351 Y N 1.775 122.020 120.300 -0.092 0.000 2.224 351 Y HA -0.137 4.413 4.550 -0.000 0.000 0.289 351 Y C 2.710 178.544 175.900 -0.111 0.000 1.146 351 Y CA 2.006 60.036 58.100 -0.116 0.000 1.182 351 Y CB -0.233 38.149 38.460 -0.130 0.000 0.983 351 Y HN 0.316 nan 8.280 nan 0.000 0.524 352 Q N -0.418 119.403 119.800 0.036 0.000 2.061 352 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 352 Q C 2.198 178.150 176.000 -0.079 0.000 0.984 352 Q CA 1.426 57.215 55.803 -0.023 0.000 0.846 352 Q CB -0.669 28.014 28.738 -0.091 0.000 0.902 352 Q HN 0.421 nan 8.270 nan 0.000 0.421 353 L N 0.194 121.334 121.223 -0.138 0.000 2.072 353 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 353 L C 2.325 178.953 176.870 -0.404 0.000 1.079 353 L CA 0.983 55.757 54.840 -0.110 0.000 0.752 353 L CB -1.352 40.752 42.059 0.074 0.000 0.906 353 L HN 0.192 nan 8.230 nan 0.000 0.436 354 L N -0.715 120.101 121.223 -0.678 0.000 2.012 354 L HA -0.215 4.124 4.340 -0.000 0.000 0.210 354 L C 2.360 178.891 176.870 -0.565 0.000 1.073 354 L CA 1.779 56.031 54.840 -0.981 0.000 0.748 354 L CB -0.579 41.069 42.059 -0.686 0.000 0.891 354 L HN 0.169 nan 8.230 nan 0.000 0.431 355 L N -0.498 120.461 121.223 -0.440 0.000 2.079 355 L HA -0.234 4.105 4.340 -0.000 0.000 0.210 355 L C 2.265 179.055 176.870 -0.133 0.000 1.081 355 L CA 1.682 56.351 54.840 -0.286 0.000 0.752 355 L CB -0.700 41.231 42.059 -0.213 0.000 0.896 355 L HN 0.445 nan 8.230 nan 0.000 0.433 356 D N -0.586 119.776 120.400 -0.063 0.000 2.183 356 D HA -0.176 4.464 4.640 -0.000 0.000 0.203 356 D C 2.266 178.560 176.300 -0.011 0.000 0.969 356 D CA 1.206 55.218 54.000 0.020 0.000 0.842 356 D CB 0.136 41.054 40.800 0.197 0.000 0.957 356 D HN 0.249 nan 8.370 nan 0.000 0.484 357 S N -0.724 114.927 115.700 -0.081 0.000 2.423 357 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 357 S C 1.742 176.320 174.600 -0.036 0.000 1.014 357 S CA 0.432 58.604 58.200 -0.046 0.000 0.965 357 S CB -0.243 62.898 63.200 -0.099 0.000 0.785 357 S HN 0.201 nan 8.310 nan 0.000 0.495 358 L N 0.929 122.102 121.223 -0.085 0.000 2.307 358 L HA 0.497 4.837 4.340 -0.000 0.000 0.211 358 L C 1.370 178.227 176.870 -0.022 0.000 1.099 358 L CA 0.858 55.666 54.840 -0.053 0.000 0.816 358 L CB -0.604 41.401 42.059 -0.090 0.000 0.952 358 L HN 0.620 nan 8.230 nan 0.000 0.455 359 G N -2.250 106.539 108.800 -0.019 0.000 2.650 359 G HA2 0.253 4.213 3.960 -0.000 0.000 0.310 359 G HA3 0.253 4.213 3.960 -0.000 0.000 0.310 359 G C -1.713 173.185 174.900 -0.003 0.000 1.270 359 G CA -0.369 44.727 45.100 -0.006 0.000 0.810 359 G HN -0.158 nan 8.290 nan 0.000 0.493 360 D N 0.095 120.492 120.400 -0.004 0.000 2.443 360 D HA 0.312 4.952 4.640 -0.000 0.000 0.221 360 D C 1.343 177.640 176.300 -0.005 0.000 1.097 360 D CA -0.621 53.373 54.000 -0.010 0.000 0.865 360 D CB 0.901 41.689 40.800 -0.020 0.000 1.034 360 D HN 0.260 nan 8.370 nan 0.000 0.511 361 R N 1.592 122.084 120.500 -0.014 0.000 2.285 361 R HA -0.058 4.281 4.340 -0.000 0.000 0.213 361 R C 1.552 177.868 176.300 0.027 0.000 1.068 361 R CA 1.002 57.106 56.100 0.006 0.000 1.004 361 R CB -0.452 29.825 30.300 -0.038 0.000 0.873 361 R HN 0.544 nan 8.270 nan 0.000 0.467 362 T N -2.028 112.517 114.554 -0.016 0.000 3.085 362 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 362 T C 0.968 175.606 174.700 -0.103 0.000 1.127 362 T CA 0.138 62.213 62.100 -0.041 0.000 1.103 362 T CB 0.127 68.942 68.868 -0.089 0.000 0.921 362 T HN 0.076 nan 8.240 nan 0.000 0.510 363 R N 0.918 121.390 120.500 -0.046 0.000 2.441 363 R HA 0.396 4.736 4.340 -0.000 0.000 0.284 363 R C -0.897 175.495 176.300 0.154 0.000 1.070 363 R CA -0.580 55.480 56.100 -0.066 0.000 1.047 363 R CB 0.414 30.687 30.300 -0.046 0.000 1.016 363 R HN 0.243 nan 8.270 nan 0.000 0.477 364 Y N 1.755 121.987 120.300 -0.114 0.000 2.387 364 Y HA 0.355 4.905 4.550 -0.001 0.000 0.330 364 Y C -0.187 175.770 175.900 0.095 0.000 1.133 364 Y CA -1.536 56.497 58.100 -0.112 0.000 1.152 364 Y CB 0.973 39.123 38.460 -0.516 0.000 1.215 364 Y HN 0.487 nan 8.280 nan 0.000 0.466 365 F N 2.205 122.237 119.950 0.137 0.000 2.828 365 F HA 0.182 4.708 4.527 -0.001 0.000 0.355 365 F C 0.882 176.719 175.800 0.061 0.000 1.200 365 F CA -0.607 57.439 58.000 0.077 0.000 1.062 365 F CB 1.407 40.444 39.000 0.062 0.000 1.351 365 F HN 0.556 nan 8.300 nan 0.000 0.504 366 S N 4.546 120.380 115.700 0.224 0.000 2.419 366 S HA -0.270 4.200 4.470 -0.000 0.000 0.235 366 S C 1.932 176.323 174.600 -0.347 0.000 1.019 366 S CA 1.360 59.570 58.200 0.017 0.000 0.982 366 S CB -0.271 62.974 63.200 0.074 0.000 0.789 366 S HN 0.908 nan 8.310 nan 0.000 0.490 367 M N -0.042 119.013 119.600 -0.910 0.000 2.149 367 M HA -0.040 4.440 4.480 -0.000 0.000 0.261 367 M C 0.733 176.539 176.300 -0.823 0.000 1.064 367 M CA 1.685 56.281 55.300 -1.173 0.000 1.102 367 M CB -0.155 31.233 32.600 -2.021 0.000 1.369 367 M HN 0.553 nan 8.290 nan 0.000 0.408 368 W N -0.218 120.796 121.300 -0.477 0.000 3.102 368 W HA 0.310 4.969 4.660 -0.000 0.000 0.401 368 W C 0.289 176.530 176.519 -0.464 0.000 1.070 368 W CA -0.907 56.324 57.345 -0.189 0.000 1.921 368 W CB -0.156 29.231 29.460 -0.121 0.000 1.118 368 W HN 0.256 nan 8.180 nan 0.000 0.647 369 N N 1.656 120.112 118.700 -0.406 0.000 2.721 369 N HA -0.265 4.474 4.740 -0.000 0.000 0.249 369 N C -0.008 175.371 175.510 -0.219 0.000 1.072 369 N CA 0.880 53.628 53.050 -0.504 0.000 0.710 369 N CB -1.040 36.727 38.487 -1.199 0.000 0.993 369 N HN 0.403 nan 8.380 nan 0.000 0.547 370 Q N 0.128 119.911 119.800 -0.029 0.000 2.534 370 Q HA 0.499 4.839 4.340 -0.000 0.000 0.223 370 Q C -0.843 175.160 176.000 0.004 0.000 1.239 370 Q CA 0.061 55.912 55.803 0.080 0.000 0.936 370 Q CB 0.126 29.027 28.738 0.271 0.000 1.457 370 Q HN 0.391 nan 8.270 nan 0.000 0.547 371 A N 3.812 126.543 122.820 -0.149 0.000 2.611 371 A HA 0.274 4.594 4.320 -0.000 0.000 0.282 371 A C -1.047 176.374 177.584 -0.271 0.000 1.114 371 A CA -0.575 51.142 52.037 -0.534 0.000 0.800 371 A CB 1.190 19.628 19.000 -0.937 0.000 1.325 371 A HN 0.502 nan 8.150 nan 0.000 0.411 372 V N 2.981 122.854 119.914 -0.069 0.000 2.740 372 V HA 0.092 4.212 4.120 -0.000 0.000 0.303 372 V C 0.139 176.240 176.094 0.013 0.000 1.054 372 V CA -0.002 62.301 62.300 0.004 0.000 1.106 372 V CB 0.487 32.336 31.823 0.043 0.000 0.957 372 V HN 0.838 nan 8.190 nan 0.000 0.486 373 D N 4.732 125.138 120.400 0.010 0.000 2.533 373 D HA 0.215 4.855 4.640 -0.000 0.000 0.236 373 D C 0.161 176.589 176.300 0.213 0.000 1.137 373 D CA 0.782 54.833 54.000 0.085 0.000 0.867 373 D CB 0.916 41.707 40.800 -0.015 0.000 1.170 373 D HN 0.835 nan 8.370 nan 0.000 0.474 374 S N 1.251 117.144 115.700 0.322 0.000 2.776 374 S HA 0.749 5.218 4.470 -0.000 0.000 0.292 374 S C -1.011 173.664 174.600 0.126 0.000 1.187 374 S CA -0.994 57.334 58.200 0.214 0.000 0.834 374 S CB 1.763 64.982 63.200 0.031 0.000 1.199 374 S HN 0.572 nan 8.310 nan 0.000 0.514 375 Y N -1.206 119.044 120.300 -0.083 0.000 2.644 375 Y HA 0.738 5.288 4.550 -0.001 0.000 0.338 375 Y C -1.219 174.566 175.900 -0.191 0.000 1.119 375 Y CA -1.231 56.718 58.100 -0.252 0.000 1.060 375 Y CB 0.646 38.794 38.460 -0.518 0.000 1.294 375 Y HN 0.594 nan 8.280 nan 0.000 0.472 376 D N 3.242 123.670 120.400 0.047 0.000 2.325 376 D HA 0.208 4.848 4.640 -0.000 0.000 0.251 376 D C -1.619 174.763 176.300 0.137 0.000 1.196 376 D CA -2.598 51.429 54.000 0.045 0.000 0.866 376 D CB 1.535 42.335 40.800 -0.001 0.000 1.101 376 D HN 0.394 nan 8.370 nan 0.000 0.476 377 P HA -0.115 nan 4.420 nan 0.000 0.219 377 P C 0.404 177.748 177.300 0.074 0.000 1.146 377 P CA 0.760 63.950 63.100 0.149 0.000 0.808 377 P CB 0.520 32.260 31.700 0.067 0.000 0.779 378 D N -0.963 119.487 120.400 0.083 0.000 2.355 378 D HA -0.009 4.631 4.640 -0.000 0.000 0.218 378 D C 1.870 178.277 176.300 0.178 0.000 1.004 378 D CA 0.402 54.469 54.000 0.111 0.000 0.880 378 D CB 0.092 40.952 40.800 0.099 0.000 0.911 378 D HN 0.077 nan 8.370 nan 0.000 0.528 379 V N 0.305 120.265 119.914 0.077 0.000 2.492 379 V HA -0.067 4.053 4.120 -0.000 0.000 0.241 379 V C 2.429 178.401 176.094 -0.203 0.000 1.041 379 V CA 0.703 62.963 62.300 -0.066 0.000 1.057 379 V CB -0.083 31.535 31.823 -0.342 0.000 0.711 379 V HN -0.019 nan 8.190 nan 0.000 0.468 380 R N 0.660 120.981 120.500 -0.298 0.000 2.083 380 R HA -0.010 4.330 4.340 -0.000 0.000 0.237 380 R C 0.603 176.749 176.300 -0.256 0.000 1.137 380 R CA 1.621 57.460 56.100 -0.434 0.000 0.951 380 R CB -0.183 29.690 30.300 -0.712 0.000 0.851 380 R HN 0.463 nan 8.270 nan 0.000 0.434 381 I N 1.613 122.103 120.570 -0.134 0.000 2.420 381 I HA 0.253 4.422 4.170 -0.000 0.000 0.282 381 I C -0.599 175.524 176.117 0.010 0.000 1.019 381 I CA -0.722 60.526 61.300 -0.088 0.000 1.130 381 I CB 1.834 39.790 38.000 -0.073 0.000 1.262 381 I HN 0.026 nan 8.210 nan 0.000 0.454 382 I N 5.864 126.463 120.570 0.049 0.000 2.517 382 I HA 0.039 4.208 4.170 -0.000 0.000 0.285 382 I C 0.749 176.963 176.117 0.162 0.000 1.106 382 I CA 0.323 61.712 61.300 0.149 0.000 1.402 382 I CB 0.342 38.436 38.000 0.157 0.000 1.399 382 I HN 0.643 nan 8.210 nan 0.000 0.535 383 E N 7.079 127.368 120.200 0.148 0.000 2.028 383 E HA 0.092 4.442 4.350 -0.000 0.000 0.266 383 E C -0.563 176.052 176.600 0.025 0.000 0.962 383 E CA -0.563 55.891 56.400 0.090 0.000 0.784 383 E CB 0.572 30.305 29.700 0.054 0.000 1.114 383 E HN 0.439 nan 8.360 nan 0.000 0.414 384 N N 3.769 122.536 118.700 0.112 0.000 2.767 384 N HA -0.019 4.721 4.740 -0.000 0.000 0.238 384 N C 0.092 175.591 175.510 -0.018 0.000 1.083 384 N CA -0.193 52.934 53.050 0.129 0.000 0.964 384 N CB 0.174 38.846 38.487 0.309 0.000 1.252 384 N HN 0.573 nan 8.380 nan 0.000 0.512 385 H N 1.598 120.600 119.070 -0.113 0.000 2.524 385 H HA 0.280 4.836 4.556 -0.001 0.000 0.280 385 H C 1.003 176.238 175.328 -0.156 0.000 1.018 385 H CA 0.015 55.988 56.048 -0.125 0.000 1.165 385 H CB -0.026 29.643 29.762 -0.155 0.000 1.411 385 H HN 0.518 nan 8.280 nan 0.000 0.569 386 G N 1.247 109.958 108.800 -0.149 0.000 2.562 386 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.250 386 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.250 386 G C -0.276 174.509 174.900 -0.191 0.000 1.269 386 G CA 0.594 45.653 45.100 -0.069 0.000 0.919 386 G HN 0.944 nan 8.290 nan 0.000 0.574 387 V N -4.076 115.799 119.914 -0.064 0.000 3.049 387 V HA 0.841 4.961 4.120 -0.000 0.000 0.309 387 V C -0.110 175.961 176.094 -0.038 0.000 1.148 387 V CA -0.511 61.744 62.300 -0.076 0.000 0.990 387 V CB 2.025 33.830 31.823 -0.029 0.000 1.039 387 V HN 0.898 nan 8.190 nan 0.000 0.430 388 E N 2.170 122.342 120.200 -0.047 0.000 2.122 388 E HA 0.187 4.537 4.350 -0.000 0.000 0.288 388 E C -0.585 175.992 176.600 -0.040 0.000 1.260 388 E CA 0.058 56.432 56.400 -0.044 0.000 1.344 388 E CB 0.128 29.795 29.700 -0.054 0.000 1.337 388 E HN 0.856 nan 8.360 nan 0.000 0.484 389 D N 0.507 120.886 120.400 -0.035 0.000 2.491 389 D HA -0.013 4.626 4.640 -0.000 0.000 0.228 389 D C 0.634 176.905 176.300 -0.048 0.000 1.183 389 D CA -0.145 53.829 54.000 -0.043 0.000 0.827 389 D CB 0.390 41.168 40.800 -0.037 0.000 0.989 389 D HN 0.065 nan 8.370 nan 0.000 0.494 390 E N 0.330 120.506 120.200 -0.040 0.000 2.085 390 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 390 E C 0.578 177.153 176.600 -0.042 0.000 0.994 390 E CA 0.776 57.154 56.400 -0.036 0.000 0.801 390 E CB -0.015 29.668 29.700 -0.028 0.000 0.743 390 E HN 0.430 nan 8.360 nan 0.000 0.453 391 L N 2.851 124.045 121.223 -0.048 0.000 2.319 391 L HA 0.253 4.592 4.340 -0.000 0.000 0.280 391 L C -2.021 174.781 176.870 -0.114 0.000 1.099 391 L CA -2.117 52.690 54.840 -0.056 0.000 0.828 391 L CB 0.332 42.368 42.059 -0.038 0.000 1.150 391 L HN -0.019 nan 8.230 nan 0.000 0.442 392 P HA 0.112 nan 4.420 nan 0.000 0.272 392 P C -1.270 175.723 177.300 -0.511 0.000 1.223 392 P CA -0.238 62.660 63.100 -0.336 0.000 0.784 392 P CB 0.553 32.043 31.700 -0.350 0.000 0.923 393 N N 0.982 119.325 118.700 -0.596 0.000 2.314 393 N HA 0.406 5.145 4.740 -0.000 0.000 0.294 393 N C -1.114 174.005 175.510 -0.651 0.000 1.029 393 N CA -0.512 52.254 53.050 -0.473 0.000 0.845 393 N CB 1.213 39.562 38.487 -0.230 0.000 1.321 393 N HN 0.397 nan 8.380 nan 0.000 0.481 394 Y N 0.156 120.346 120.300 -0.184 0.000 2.485 394 Y HA 0.458 5.008 4.550 -0.000 0.000 0.345 394 Y C -0.109 175.427 175.900 -0.607 0.000 0.998 394 Y CA -1.061 56.758 58.100 -0.468 0.000 1.059 394 Y CB 1.323 39.329 38.460 -0.755 0.000 1.234 394 Y HN 0.348 nan 8.280 nan 0.000 0.461 395 C N 3.398 122.424 119.300 -0.456 0.000 2.388 395 C HA 0.595 5.054 4.460 -0.000 0.000 0.362 395 C C -0.573 174.016 174.990 -0.668 0.000 1.266 395 C CA -0.762 58.042 59.018 -0.358 0.000 2.028 395 C CB -1.178 26.458 27.740 -0.173 0.000 2.440 395 C HN 0.549 nan 8.230 nan 0.000 0.547 396 F N 2.424 122.378 119.950 0.007 0.000 2.561 396 F HA 0.549 5.076 4.527 -0.001 0.000 0.321 396 F C -1.811 173.997 175.800 0.014 0.000 1.065 396 F CA -2.410 55.581 58.000 -0.014 0.000 0.934 396 F CB 0.248 39.231 39.000 -0.029 0.000 1.215 396 F HN 0.376 nan 8.300 nan 0.000 0.471 397 P HA 0.071 nan 4.420 nan 0.000 0.268 397 P C 0.670 177.956 177.300 -0.023 0.000 1.208 397 P CA -0.292 62.868 63.100 0.099 0.000 0.777 397 P CB 0.660 32.405 31.700 0.076 0.000 0.875 398 L N 1.719 122.880 121.223 -0.104 0.000 2.127 398 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 398 L C 1.481 178.059 176.870 -0.487 0.000 1.089 398 L CA 2.030 56.769 54.840 -0.168 0.000 0.757 398 L CB -1.384 40.636 42.059 -0.064 0.000 0.899 398 L HN 0.502 nan 8.230 nan 0.000 0.434 399 D N -1.859 118.066 120.400 -0.792 0.000 2.339 399 D HA 0.212 4.851 4.640 -0.000 0.000 0.217 399 D C 1.284 177.319 176.300 -0.442 0.000 1.050 399 D CA 0.623 53.971 54.000 -1.088 0.000 0.856 399 D CB -0.054 39.688 40.800 -1.763 0.000 0.922 399 D HN 0.134 nan 8.370 nan 0.000 0.518 400 A N -1.274 121.402 122.820 -0.241 0.000 2.861 400 A HA -0.212 4.108 4.320 -0.000 0.000 0.261 400 A C 1.227 178.754 177.584 -0.095 0.000 1.351 400 A CA 1.383 53.340 52.037 -0.132 0.000 0.904 400 A CB -1.954 16.944 19.000 -0.170 0.000 1.076 400 A HN 0.360 nan 8.150 nan 0.000 0.729 401 V N -2.827 117.033 119.914 -0.089 0.000 3.102 401 V HA 0.578 4.698 4.120 -0.000 0.000 0.225 401 V C 1.987 178.100 176.094 0.032 0.000 1.301 401 V CA 1.404 63.686 62.300 -0.031 0.000 1.308 401 V CB -0.202 31.590 31.823 -0.052 0.000 1.129 401 V HN 2.470 nan 8.190 nan 0.000 0.502 402 G N 0.494 109.283 108.800 -0.018 0.000 2.503 402 G HA2 0.019 3.979 3.960 -0.000 0.000 0.235 402 G HA3 0.019 3.979 3.960 -0.000 0.000 0.235 402 G C 0.262 175.127 174.900 -0.058 0.000 1.179 402 G CA 0.291 45.380 45.100 -0.018 0.000 0.944 402 G HN 0.992 nan 8.290 nan 0.000 0.580 403 R N 0.284 120.732 120.500 -0.087 0.000 2.538 403 R HA 0.602 4.942 4.340 -0.000 0.000 0.282 403 R C 1.008 177.306 176.300 -0.004 0.000 1.009 403 R CA 1.731 57.794 56.100 -0.063 0.000 1.063 403 R CB -0.761 29.488 30.300 -0.085 0.000 0.945 403 R HN 2.259 nan 8.270 nan 0.000 0.414 404 T N -1.099 113.463 114.554 0.014 0.000 2.916 404 T HA 0.644 4.993 4.350 -0.000 0.000 0.292 404 T C -1.009 173.724 174.700 0.055 0.000 1.055 404 T CA -0.983 61.154 62.100 0.062 0.000 1.009 404 T CB 1.979 70.894 68.868 0.078 0.000 1.118 404 T HN 0.576 nan 8.240 nan 0.000 0.497 405 D N 0.788 121.250 120.400 0.103 0.000 2.442 405 D HA 0.518 5.158 4.640 -0.000 0.000 0.254 405 D C -0.376 175.854 176.300 -0.118 0.000 1.069 405 D CA -0.330 53.638 54.000 -0.053 0.000 1.017 405 D CB 1.780 42.473 40.800 -0.178 0.000 1.172 405 D HN 0.603 nan 8.370 nan 0.000 0.561 406 T N 0.802 115.170 114.554 -0.311 0.000 2.795 406 T HA 0.444 4.794 4.350 -0.000 0.000 0.282 406 T C -0.730 173.685 174.700 -0.476 0.000 0.980 406 T CA -0.335 61.635 62.100 -0.217 0.000 1.012 406 T CB 0.277 69.072 68.868 -0.122 0.000 0.936 406 T HN 0.135 nan 8.240 nan 0.000 0.457 407 Y N 1.892 122.192 120.300 -0.001 0.000 2.425 407 Y HA 0.406 4.955 4.550 -0.000 0.000 0.344 407 Y C 0.410 176.309 175.900 -0.001 0.000 0.969 407 Y CA -1.257 56.838 58.100 -0.007 0.000 1.052 407 Y CB 1.760 40.212 38.460 -0.014 0.000 1.215 407 Y HN 0.569 nan 8.280 nan 0.000 0.451 408 Q N 1.329 121.212 119.800 0.138 0.000 2.215 408 Q HA 0.728 5.067 4.340 -0.000 0.000 0.256 408 Q C -0.058 176.004 176.000 0.103 0.000 0.972 408 Q CA -1.216 54.644 55.803 0.096 0.000 0.889 408 Q CB 1.863 30.636 28.738 0.058 0.000 1.281 408 Q HN 0.828 nan 8.270 nan 0.000 0.456 409 G N 1.823 110.672 108.800 0.082 0.000 2.432 409 G HA2 0.490 4.450 3.960 -0.000 0.000 0.257 409 G HA3 0.490 4.450 3.960 -0.000 0.000 0.257 409 G C -0.270 174.687 174.900 0.096 0.000 1.238 409 G CA -0.750 44.397 45.100 0.079 0.000 0.838 409 G HN 0.725 nan 8.290 nan 0.000 0.547 410 I N -1.130 119.515 120.570 0.125 0.000 2.865 410 I HA 0.859 5.029 4.170 -0.000 0.000 0.302 410 I C -0.812 175.513 176.117 0.347 0.000 1.140 410 I CA -1.396 60.031 61.300 0.211 0.000 1.021 410 I CB 2.869 40.986 38.000 0.194 0.000 1.233 410 I HN 0.605 nan 8.210 nan 0.000 0.427 411 K N 3.393 124.020 120.400 0.379 0.000 2.508 411 K HA 0.858 5.178 4.320 -0.000 0.000 0.260 411 K C -1.345 175.268 176.600 0.021 0.000 0.949 411 K CA -0.883 55.567 56.287 0.271 0.000 0.834 411 K CB 2.284 34.849 32.500 0.107 0.000 1.365 411 K HN 0.795 nan 8.250 nan 0.000 0.437 412 A N 0.978 123.517 122.820 -0.467 0.000 2.328 412 A HA 0.522 4.842 4.320 -0.000 0.000 0.284 412 A C -0.010 177.316 177.584 -0.431 0.000 1.160 412 A CA 0.050 51.526 52.037 -0.934 0.000 0.818 412 A CB -0.298 17.913 19.000 -1.314 0.000 1.087 412 A HN 0.985 nan 8.150 nan 0.000 0.504 419 T N 0.952 115.382 114.554 -0.206 0.000 2.922 419 T HA 0.705 5.055 4.350 -0.000 0.000 0.285 419 T C -0.547 173.997 174.700 -0.259 0.000 1.005 419 T CA -0.362 61.684 62.100 -0.090 0.000 1.061 419 T CB 0.429 69.268 68.868 -0.048 0.000 1.007 419 T HN 0.631 nan 8.240 nan 0.000 0.502 420 W N 1.512 122.819 121.300 0.011 0.000 2.736 420 W HA 0.563 5.223 4.660 -0.000 0.000 0.335 420 W C 0.310 176.837 176.519 0.014 0.000 1.059 420 W CA -0.292 57.060 57.345 0.013 0.000 1.226 420 W CB 2.122 31.592 29.460 0.016 0.000 1.416 420 W HN 0.914 nan 8.180 nan 0.000 0.505 421 T N -1.191 113.496 114.554 0.220 0.000 2.901 421 T HA 0.466 4.816 4.350 -0.000 0.000 0.293 421 T C -0.649 174.138 174.700 0.143 0.000 1.084 421 T CA -1.283 60.900 62.100 0.139 0.000 1.008 421 T CB 1.856 70.766 68.868 0.070 0.000 1.170 421 T HN 0.337 nan 8.240 nan 0.000 0.509 422 K N 0.895 121.356 120.400 0.100 0.000 2.451 422 K HA 0.037 4.357 4.320 -0.000 0.000 0.280 422 K C -0.679 175.969 176.600 0.079 0.000 1.020 422 K CA -0.146 56.193 56.287 0.087 0.000 1.008 422 K CB 0.267 32.804 32.500 0.061 0.000 0.917 422 K HN 0.671 nan 8.250 nan 0.000 0.478 423 D N 3.618 124.068 120.400 0.084 0.000 2.396 423 D HA 0.058 4.698 4.640 -0.000 0.000 0.225 423 D C -0.077 176.254 176.300 0.053 0.000 1.121 423 D CA -0.269 53.773 54.000 0.070 0.000 0.853 423 D CB 0.885 41.734 40.800 0.083 0.000 1.043 423 D HN 0.419 nan 8.370 nan 0.000 0.500 424 D N 1.522 121.947 120.400 0.042 0.000 2.363 424 D HA -0.116 4.524 4.640 -0.000 0.000 0.226 424 D C 1.519 177.837 176.300 0.030 0.000 1.020 424 D CA 0.413 54.433 54.000 0.034 0.000 0.892 424 D CB 0.236 41.052 40.800 0.027 0.000 0.900 424 D HN 0.417 nan 8.370 nan 0.000 0.531 425 S N -0.496 115.223 115.700 0.032 0.000 2.593 425 S HA 0.102 4.572 4.470 -0.000 0.000 0.217 425 S C 0.577 175.196 174.600 0.032 0.000 0.966 425 S CA -0.367 57.850 58.200 0.029 0.000 0.914 425 S CB 0.238 63.454 63.200 0.026 0.000 0.776 425 S HN -0.132 nan 8.310 nan 0.000 0.523 426 V N 2.616 122.552 119.914 0.038 0.000 2.555 426 V HA 0.392 4.512 4.120 -0.000 0.000 0.302 426 V C 0.006 176.125 176.094 0.041 0.000 1.038 426 V CA -1.171 61.154 62.300 0.041 0.000 0.887 426 V CB 1.462 33.315 31.823 0.050 0.000 0.991 426 V HN 0.436 nan 8.190 nan 0.000 0.434 427 N N 2.600 121.324 118.700 0.039 0.000 2.353 427 N HA -0.061 4.679 4.740 -0.000 0.000 0.248 427 N C 0.679 176.216 175.510 0.046 0.000 1.240 427 N CA 0.442 53.515 53.050 0.039 0.000 0.862 427 N CB 0.800 39.311 38.487 0.040 0.000 1.086 427 N HN 0.845 nan 8.380 nan 0.000 0.453 428 D N 1.150 121.573 120.400 0.039 0.000 2.339 428 D HA 0.133 4.773 4.640 -0.000 0.000 0.217 428 D C -0.263 176.058 176.300 0.036 0.000 1.050 428 D CA 0.021 54.045 54.000 0.039 0.000 0.856 428 D CB 0.083 40.901 40.800 0.028 0.000 0.922 428 D HN 0.395 nan 8.370 nan 0.000 0.518 429 A N 0.351 123.196 122.820 0.041 0.000 3.355 429 A HA 0.378 4.698 4.320 -0.000 0.000 0.290 429 A C -0.877 176.743 177.584 0.060 0.000 0.973 429 A CA -0.893 51.165 52.037 0.035 0.000 0.933 429 A CB -0.628 18.385 19.000 0.022 0.000 1.138 429 A HN 0.094 nan 8.150 nan 0.000 0.490 430 N N 1.298 120.056 118.700 0.097 0.000 2.455 430 N HA 0.383 5.122 4.740 -0.000 0.000 0.280 430 N C -0.691 174.916 175.510 0.162 0.000 1.055 430 N CA -0.409 52.712 53.050 0.118 0.000 0.961 430 N CB 1.036 39.597 38.487 0.123 0.000 1.121 430 N HN 0.287 nan 8.380 nan 0.000 0.476 431 E N 2.475 122.757 120.200 0.136 0.000 2.089 431 E HA 0.304 4.654 4.350 -0.000 0.000 0.284 431 E C -0.432 176.258 176.600 0.149 0.000 1.023 431 E CA -0.087 56.402 56.400 0.147 0.000 0.819 431 E CB 0.672 30.442 29.700 0.116 0.000 1.076 431 E HN 0.478 nan 8.360 nan 0.000 0.396 432 I N 0.865 121.561 120.570 0.211 0.000 2.582 432 I HA 0.409 4.579 4.170 -0.000 0.000 0.292 432 I C 0.654 176.841 176.117 0.117 0.000 1.066 432 I CA -1.211 60.143 61.300 0.089 0.000 1.053 432 I CB 2.333 40.284 38.000 -0.081 0.000 1.241 432 I HN 0.322 nan 8.210 nan 0.000 0.421 433 G N 3.786 112.612 108.800 0.044 0.000 2.425 433 G HA2 0.510 4.470 3.960 -0.000 0.000 0.302 433 G HA3 0.510 4.470 3.960 -0.000 0.000 0.302 433 G C -0.770 174.131 174.900 0.002 0.000 1.159 433 G CA -0.534 44.593 45.100 0.045 0.000 0.865 433 G HN 0.532 nan 8.290 nan 0.000 0.515 434 K N 0.469 120.882 120.400 0.022 0.000 2.138 434 K HA 0.617 4.937 4.320 -0.000 0.000 0.263 434 K C 0.703 177.305 176.600 0.002 0.000 0.965 434 K CA 0.690 56.974 56.287 -0.006 0.000 0.868 434 K CB 1.574 34.084 32.500 0.017 0.000 1.083 434 K HN 1.077 nan 8.250 nan 0.000 0.443 435 G N 2.215 111.008 108.800 -0.012 0.000 2.568 435 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.222 435 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.222 435 G C -0.763 174.130 174.900 -0.010 0.000 1.321 435 G CA -0.725 44.371 45.100 -0.006 0.000 0.893 435 G HN 0.719 nan 8.290 nan 0.000 0.569 436 N N 1.393 120.089 118.700 -0.007 0.000 2.445 436 N HA 0.545 5.285 4.740 -0.000 0.000 0.264 436 N C -2.457 173.056 175.510 0.005 0.000 1.227 436 N CA -0.871 52.167 53.050 -0.020 0.000 0.963 436 N CB 0.517 38.982 38.487 -0.037 0.000 1.188 436 N HN 0.479 nan 8.380 nan 0.000 0.491 437 P HA -0.040 nan 4.420 nan 0.000 0.265 437 P C -0.659 176.715 177.300 0.124 0.000 1.193 437 P CA -0.080 63.049 63.100 0.049 0.000 0.765 437 P CB 0.250 31.944 31.700 -0.011 0.000 0.823 438 F N 2.860 122.828 119.950 0.029 0.000 2.629 438 F HA 0.299 4.825 4.527 -0.000 0.000 0.369 438 F C 0.139 175.974 175.800 0.058 0.000 1.125 438 F CA 0.252 58.266 58.000 0.024 0.000 1.330 438 F CB 0.067 39.072 39.000 0.007 0.000 1.071 438 F HN 0.427 nan 8.300 nan 0.000 0.595 439 A N 7.417 129.722 122.820 -0.858 0.000 2.587 439 A HA 0.791 5.110 4.320 -0.000 0.000 0.293 439 A C -1.219 175.848 177.584 -0.861 0.000 1.087 439 A CA -1.006 50.580 52.037 -0.751 0.000 0.692 439 A CB 1.549 20.211 19.000 -0.563 0.000 1.291 439 A HN 0.708 nan 8.150 nan 0.000 0.407 440 M N 0.390 119.661 119.600 -0.547 0.000 2.727 440 M HA 0.612 5.092 4.480 -0.000 0.000 0.300 440 M C -0.562 175.655 176.300 -0.137 0.000 1.246 440 M CA -0.403 54.718 55.300 -0.299 0.000 0.835 440 M CB 1.934 34.409 32.600 -0.207 0.000 1.755 440 M HN 0.880 nan 8.290 nan 0.000 0.473 441 E N 1.169 121.313 120.200 -0.094 0.000 2.248 441 E HA 0.716 5.066 4.350 -0.000 0.000 0.267 441 E C -2.003 174.500 176.600 -0.160 0.000 0.877 441 E CA -0.580 55.740 56.400 -0.133 0.000 0.759 441 E CB 2.957 32.603 29.700 -0.090 0.000 1.182 441 E HN 0.688 nan 8.360 nan 0.000 0.418 442 I N 3.794 124.243 120.570 -0.201 0.000 2.571 442 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 442 I C -1.398 174.624 176.117 -0.160 0.000 1.115 442 I CA -0.777 60.432 61.300 -0.152 0.000 1.045 442 I CB 1.595 39.533 38.000 -0.104 0.000 1.238 442 I HN 0.445 nan 8.210 nan 0.000 0.424 443 N N 7.867 126.483 118.700 -0.140 0.000 2.466 443 N HA 0.200 4.940 4.740 -0.000 0.000 0.263 443 N C 0.958 176.431 175.510 -0.062 0.000 1.178 443 N CA 0.227 53.210 53.050 -0.111 0.000 0.983 443 N CB 0.332 38.759 38.487 -0.099 0.000 1.331 443 N HN 0.704 nan 8.380 nan 0.000 0.500 444 I N 1.759 122.293 120.570 -0.060 0.000 2.118 444 I HA -0.372 3.797 4.170 -0.000 0.000 0.241 444 I C 2.175 178.297 176.117 0.007 0.000 1.070 444 I CA 1.163 62.449 61.300 -0.024 0.000 1.327 444 I CB -0.034 37.950 38.000 -0.026 0.000 1.034 444 I HN 0.502 nan 8.210 nan 0.000 0.405 445 Q N 0.693 120.493 119.800 -0.000 0.000 2.050 445 Q HA -0.198 4.141 4.340 -0.000 0.000 0.202 445 Q C 2.485 178.531 176.000 0.077 0.000 0.980 445 Q CA 1.904 57.721 55.803 0.023 0.000 0.840 445 Q CB -0.630 28.104 28.738 -0.006 0.000 0.898 445 Q HN 0.609 nan 8.270 nan 0.000 0.424 446 A N 1.932 124.792 122.820 0.067 0.000 1.933 446 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 446 A C 1.941 179.600 177.584 0.124 0.000 1.175 446 A CA 1.486 53.594 52.037 0.118 0.000 0.628 446 A CB -0.480 18.558 19.000 0.064 0.000 0.814 446 A HN 0.330 nan 8.150 nan 0.000 0.444 447 N N -0.007 118.736 118.700 0.073 0.000 2.142 447 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 447 N C 1.757 177.335 175.510 0.112 0.000 1.023 447 N CA 1.283 54.372 53.050 0.065 0.000 0.852 447 N CB -0.323 38.183 38.487 0.031 0.000 0.998 447 N HN 0.491 nan 8.380 nan 0.000 0.424 448 L N -0.211 121.094 121.223 0.136 0.000 2.042 448 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 448 L C 2.435 179.489 176.870 0.306 0.000 1.076 448 L CA 1.265 56.214 54.840 0.182 0.000 0.749 448 L CB -0.428 41.715 42.059 0.140 0.000 0.893 448 L HN 0.409 nan 8.230 nan 0.000 0.432 449 W N 1.137 122.464 121.300 0.046 0.000 2.379 449 W HA -0.220 4.439 4.660 -0.001 0.000 0.307 449 W C 2.804 179.393 176.519 0.116 0.000 1.200 449 W CA 0.892 58.267 57.345 0.049 0.000 1.297 449 W CB -0.026 29.424 29.460 -0.018 0.000 1.140 449 W HN 0.074 nan 8.180 nan 0.000 0.507 450 R N 0.702 121.242 120.500 0.066 0.000 2.091 450 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 450 R C 2.007 178.308 176.300 0.001 0.000 1.136 450 R CA 1.930 57.978 56.100 -0.086 0.000 0.959 450 R CB -0.745 29.523 30.300 -0.054 0.000 0.856 450 R HN 0.255 nan 8.270 nan 0.000 0.437 451 N N -0.291 118.463 118.700 0.089 0.000 2.120 451 N HA -0.210 4.529 4.740 -0.000 0.000 0.188 451 N C 1.703 177.314 175.510 0.168 0.000 1.024 451 N CA 1.453 54.578 53.050 0.126 0.000 0.852 451 N CB -0.219 38.347 38.487 0.131 0.000 1.003 451 N HN 0.173 nan 8.380 nan 0.000 0.424 452 F N 2.145 122.141 119.950 0.077 0.000 2.075 452 F HA -0.097 4.429 4.527 -0.001 0.000 0.297 452 F C 2.204 177.997 175.800 -0.013 0.000 1.113 452 F CA 1.128 59.184 58.000 0.094 0.000 1.218 452 F CB -0.328 38.798 39.000 0.209 0.000 0.984 452 F HN -0.087 nan 8.300 nan 0.000 0.472 453 L N -1.050 120.171 121.223 -0.005 0.000 2.083 453 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 453 L C 2.303 179.099 176.870 -0.122 0.000 1.083 453 L CA 1.432 56.158 54.840 -0.189 0.000 0.752 453 L CB -0.943 40.862 42.059 -0.423 0.000 0.899 453 L HN 0.260 nan 8.230 nan 0.000 0.433 454 Y N 0.606 120.809 120.300 -0.161 0.000 2.133 454 Y HA -0.216 4.334 4.550 -0.001 0.000 0.287 454 Y C 2.533 178.380 175.900 -0.088 0.000 1.134 454 Y CA 1.235 59.262 58.100 -0.120 0.000 1.133 454 Y CB -0.354 38.045 38.460 -0.102 0.000 0.987 454 Y HN 0.079 nan 8.280 nan 0.000 0.502 455 A N 0.248 123.035 122.820 -0.055 0.000 1.933 455 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 455 A C 1.934 179.543 177.584 0.042 0.000 1.175 455 A CA 2.067 54.063 52.037 -0.068 0.000 0.628 455 A CB -0.553 18.454 19.000 0.011 0.000 0.814 455 A HN 0.638 nan 8.150 nan 0.000 0.444 456 N N -1.392 117.263 118.700 -0.075 0.000 2.368 456 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 456 N C 1.240 176.788 175.510 0.063 0.000 1.076 456 N CA 1.216 54.263 53.050 -0.004 0.000 0.889 456 N CB 0.805 38.991 38.487 -0.502 0.000 1.040 456 N HN 0.339 nan 8.380 nan 0.000 0.463 457 V N 0.515 120.402 119.914 -0.046 0.000 2.950 457 V HA 0.232 4.352 4.120 -0.000 0.000 0.231 457 V C 2.254 178.311 176.094 -0.062 0.000 1.205 457 V CA 0.869 63.141 62.300 -0.047 0.000 1.239 457 V CB -0.697 31.060 31.823 -0.111 0.000 1.050 457 V HN 0.067 nan 8.190 nan 0.000 0.498 458 A N 0.197 122.920 122.820 -0.161 0.000 1.908 458 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 458 A C 2.137 179.537 177.584 -0.308 0.000 1.181 458 A CA 1.945 53.850 52.037 -0.220 0.000 0.627 458 A CB -0.656 18.223 19.000 -0.202 0.000 0.818 458 A HN 0.470 nan 8.150 nan 0.000 0.445 459 L N -2.182 118.776 121.223 -0.442 0.000 2.376 459 L HA -0.094 4.246 4.340 -0.000 0.000 0.219 459 L C 1.548 178.125 176.870 -0.489 0.000 1.133 459 L CA 0.691 55.209 54.840 -0.537 0.000 0.816 459 L CB -0.228 41.430 42.059 -0.669 0.000 0.933 459 L HN 0.521 nan 8.230 nan 0.000 0.449 460 Y N -0.704 119.469 120.300 -0.212 0.000 2.461 460 Y HA 0.166 4.716 4.550 -0.000 0.000 0.277 460 Y C 0.958 176.783 175.900 -0.125 0.000 1.182 460 Y CA -0.563 57.455 58.100 -0.137 0.000 1.276 460 Y CB -0.069 38.346 38.460 -0.075 0.000 1.087 460 Y HN 0.020 nan 8.280 nan 0.000 0.519 461 L N 1.723 122.907 121.223 -0.065 0.000 2.483 461 L HA 0.070 4.409 4.340 -0.000 0.000 0.275 461 L C -1.893 174.975 176.870 -0.003 0.000 1.220 461 L CA -1.794 52.980 54.840 -0.109 0.000 0.833 461 L CB 0.176 42.096 42.059 -0.232 0.000 1.102 461 L HN -0.054 nan 8.230 nan 0.000 0.490 462 P HA -0.049 nan 4.420 nan 0.000 0.269 462 P C -0.090 177.329 177.300 0.199 0.000 1.217 462 P CA -0.051 63.147 63.100 0.165 0.000 0.783 462 P CB 0.492 32.340 31.700 0.247 0.000 0.898 463 D N 0.532 121.015 120.400 0.138 0.000 2.263 463 D HA -0.144 4.495 4.640 -0.000 0.000 0.208 463 D C 1.478 177.847 176.300 0.114 0.000 0.971 463 D CA 1.534 55.605 54.000 0.118 0.000 0.867 463 D CB -0.189 40.704 40.800 0.156 0.000 0.929 463 D HN 0.291 nan 8.370 nan 0.000 0.492 464 S N -1.445 114.319 115.700 0.107 0.000 2.547 464 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 464 S C 1.341 175.878 174.600 -0.105 0.000 0.980 464 S CA 0.322 58.518 58.200 -0.007 0.000 0.941 464 S CB -0.584 62.572 63.200 -0.074 0.000 0.763 464 S HN 0.350 nan 8.310 nan 0.000 0.532 465 Y N 1.486 121.804 120.300 0.029 0.000 2.458 465 Y HA 0.435 4.984 4.550 -0.001 0.000 0.256 465 Y C 0.994 176.917 175.900 0.038 0.000 1.159 465 Y CA -0.365 57.754 58.100 0.031 0.000 1.261 465 Y CB 0.270 38.741 38.460 0.019 0.000 1.119 465 Y HN 0.194 nan 8.280 nan 0.000 0.524 466 K N -0.184 120.296 120.400 0.133 0.000 2.245 466 K HA 0.501 4.820 4.320 -0.000 0.000 0.234 466 K C -1.331 175.329 176.600 0.100 0.000 1.021 466 K CA -0.964 55.350 56.287 0.045 0.000 0.898 466 K CB 1.681 34.135 32.500 -0.078 0.000 1.163 466 K HN -0.004 nan 8.250 nan 0.000 0.459 467 Y N -2.996 117.272 120.300 -0.054 0.000 2.644 467 Y HA 0.515 5.065 4.550 -0.001 0.000 0.338 467 Y C -1.023 174.829 175.900 -0.079 0.000 1.119 467 Y CA -1.135 56.932 58.100 -0.055 0.000 1.060 467 Y CB 1.447 39.878 38.460 -0.049 0.000 1.294 467 Y HN 0.288 nan 8.280 nan 0.000 0.472 468 T N 3.626 118.231 114.554 0.086 0.000 2.791 468 T HA 0.458 4.808 4.350 -0.000 0.000 0.288 468 T C -2.625 172.159 174.700 0.140 0.000 0.999 468 T CA -1.210 60.887 62.100 -0.005 0.000 0.952 468 T CB 1.017 69.876 68.868 -0.015 0.000 0.938 468 T HN 0.430 nan 8.240 nan 0.000 0.444 469 P HA 0.204 nan 4.420 nan 0.000 0.270 469 P C 0.565 177.905 177.300 0.066 0.000 1.227 469 P CA -0.306 62.884 63.100 0.151 0.000 0.788 469 P CB 0.491 32.246 31.700 0.092 0.000 0.926 470 A N 1.996 124.845 122.820 0.047 0.000 2.066 470 A HA -0.122 4.197 4.320 -0.000 0.000 0.218 470 A C 1.287 178.869 177.584 -0.004 0.000 1.157 470 A CA 1.261 53.309 52.037 0.018 0.000 0.670 470 A CB -0.948 18.058 19.000 0.011 0.000 0.804 470 A HN 0.704 nan 8.150 nan 0.000 0.453 471 N N -0.369 118.317 118.700 -0.023 0.000 2.279 471 N HA 0.157 4.897 4.740 -0.000 0.000 0.226 471 N C -0.695 174.789 175.510 -0.043 0.000 1.126 471 N CA 0.012 53.035 53.050 -0.045 0.000 0.846 471 N CB 0.099 38.535 38.487 -0.086 0.000 1.050 471 N HN 0.068 nan 8.380 nan 0.000 0.502 472 V N 0.611 120.509 119.914 -0.027 0.000 2.444 472 V HA 0.377 4.497 4.120 -0.000 0.000 0.294 472 V C -0.265 175.818 176.094 -0.019 0.000 1.022 472 V CA -0.563 61.719 62.300 -0.029 0.000 0.850 472 V CB 1.608 33.407 31.823 -0.040 0.000 0.992 472 V HN 0.114 nan 8.190 nan 0.000 0.426 473 T N 6.684 121.230 114.554 -0.014 0.000 2.756 473 T HA 0.621 4.971 4.350 -0.000 0.000 0.290 473 T C -0.519 174.181 174.700 0.001 0.000 0.985 473 T CA -0.295 61.805 62.100 -0.001 0.000 0.955 473 T CB 0.959 69.829 68.868 0.005 0.000 0.930 473 T HN 0.174 nan 8.240 nan 0.000 0.451 474 L N 4.720 125.953 121.223 0.017 0.000 2.334 474 L HA 0.631 4.970 4.340 -0.000 0.000 0.270 474 L C -1.996 174.930 176.870 0.093 0.000 1.018 474 L CA -2.572 52.291 54.840 0.037 0.000 0.811 474 L CB 0.467 42.536 42.059 0.017 0.000 1.271 474 L HN 0.391 nan 8.230 nan 0.000 0.443 475 P HA 0.165 nan 4.420 nan 0.000 0.270 475 P C 0.509 177.869 177.300 0.100 0.000 1.223 475 P CA -0.111 63.043 63.100 0.091 0.000 0.785 475 P CB 0.368 32.118 31.700 0.084 0.000 0.923 476 T N -2.657 111.914 114.554 0.027 0.000 3.023 476 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 476 T C 0.880 175.499 174.700 -0.135 0.000 1.093 476 T CA 0.281 62.365 62.100 -0.026 0.000 1.129 476 T CB -0.542 68.317 68.868 -0.015 0.000 0.899 476 T HN 0.265 nan 8.240 nan 0.000 0.491 477 N N 2.102 120.744 118.700 -0.096 0.000 2.406 477 N HA 0.110 4.849 4.740 -0.000 0.000 0.265 477 N C 0.616 175.978 175.510 -0.247 0.000 1.203 477 N CA 0.149 53.121 53.050 -0.129 0.000 0.945 477 N CB 0.760 39.218 38.487 -0.048 0.000 1.165 477 N HN 0.144 nan 8.380 nan 0.000 0.485 478 T N 2.055 116.355 114.554 -0.422 0.000 3.072 478 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 478 T C 0.897 175.437 174.700 -0.266 0.000 1.127 478 T CA 0.611 62.268 62.100 -0.739 0.000 1.107 478 T CB 0.000 68.461 68.868 -0.679 0.000 0.910 478 T HN 0.508 nan 8.240 nan 0.000 0.513 479 N N 1.968 120.594 118.700 -0.124 0.000 2.322 479 N HA 0.028 4.768 4.740 -0.000 0.000 0.194 479 N C 0.641 176.159 175.510 0.013 0.000 1.126 479 N CA 0.164 53.197 53.050 -0.028 0.000 0.845 479 N CB 0.320 38.796 38.487 -0.019 0.000 0.976 479 N HN 0.530 nan 8.380 nan 0.000 0.475 480 T N -3.099 111.473 114.554 0.031 0.000 2.928 480 T HA 0.174 4.524 4.350 -0.000 0.000 0.284 480 T C 1.115 175.875 174.700 0.099 0.000 1.008 480 T CA -0.771 61.374 62.100 0.075 0.000 1.057 480 T CB 1.621 70.534 68.868 0.076 0.000 1.018 480 T HN 0.081 nan 8.240 nan 0.000 0.493 481 Y N 1.461 121.751 120.300 -0.017 0.000 2.145 481 Y HA -0.146 4.404 4.550 -0.000 0.000 0.286 481 Y C 1.961 177.816 175.900 -0.074 0.000 1.145 481 Y CA 2.061 60.127 58.100 -0.057 0.000 1.148 481 Y CB -0.453 37.961 38.460 -0.077 0.000 0.981 481 Y HN 0.711 nan 8.280 nan 0.000 0.507 482 D N -0.697 119.740 120.400 0.062 0.000 2.158 482 D HA -0.259 4.381 4.640 -0.000 0.000 0.197 482 D C 1.885 178.101 176.300 -0.140 0.000 0.995 482 D CA 1.738 55.710 54.000 -0.047 0.000 0.846 482 D CB -0.754 40.072 40.800 0.044 0.000 0.941 482 D HN 0.518 nan 8.370 nan 0.000 0.456 483 Y N 0.895 121.104 120.300 -0.152 0.000 2.089 483 Y HA -0.196 4.353 4.550 -0.001 0.000 0.282 483 Y C 2.462 178.221 175.900 -0.235 0.000 1.139 483 Y CA 1.670 59.676 58.100 -0.156 0.000 1.123 483 Y CB -0.230 38.172 38.460 -0.097 0.000 0.980 483 Y HN -0.126 nan 8.280 nan 0.000 0.493 484 M N -0.266 119.227 119.600 -0.178 0.000 2.279 484 M HA -0.195 4.284 4.480 -0.000 0.000 0.264 484 M C 1.639 177.628 176.300 -0.519 0.000 1.062 484 M CA 1.840 56.955 55.300 -0.309 0.000 1.099 484 M CB -0.412 32.040 32.600 -0.246 0.000 1.394 484 M HN 0.283 nan 8.290 nan 0.000 0.426 485 N N 0.194 118.492 118.700 -0.671 0.000 2.415 485 N HA -0.003 4.736 4.740 -0.000 0.000 0.176 485 N C 1.450 176.552 175.510 -0.679 0.000 1.042 485 N CA 1.127 53.723 53.050 -0.757 0.000 0.902 485 N CB 0.127 38.011 38.487 -1.006 0.000 0.986 485 N HN 0.252 nan 8.380 nan 0.000 0.447 486 G N -0.883 107.583 108.800 -0.558 0.000 2.850 486 G HA2 0.056 4.016 3.960 -0.000 0.000 0.211 486 G HA3 0.056 4.016 3.960 -0.000 0.000 0.211 486 G C 0.319 174.979 174.900 -0.401 0.000 1.124 486 G CA -0.332 44.502 45.100 -0.444 0.000 0.769 486 G HN 0.029 nan 8.290 nan 0.000 0.535 487 R N 1.173 121.364 120.500 -0.514 0.000 2.484 487 R HA 0.170 4.510 4.340 -0.000 0.000 0.293 487 R C -0.384 175.671 176.300 -0.408 0.000 1.023 487 R CA 0.021 55.829 56.100 -0.487 0.000 1.037 487 R CB 1.065 31.036 30.300 -0.548 0.000 0.951 487 R HN 0.008 nan 8.270 nan 0.000 0.418 488 V N 4.052 123.658 119.914 -0.515 0.000 2.546 488 V HA 0.176 4.295 4.120 -0.000 0.000 0.284 488 V C 0.353 176.179 176.094 -0.447 0.000 1.050 488 V CA -0.507 61.461 62.300 -0.554 0.000 0.981 488 V CB 1.679 32.955 31.823 -0.912 0.000 0.990 488 V HN 0.434 nan 8.190 nan 0.000 0.474 489 V N 5.043 124.850 119.914 -0.179 0.000 2.448 489 V HA 0.793 4.913 4.120 -0.000 0.000 0.295 489 V C 0.445 176.626 176.094 0.145 0.000 1.025 489 V CA -0.568 61.721 62.300 -0.017 0.000 0.859 489 V CB 1.598 33.381 31.823 -0.066 0.000 0.988 489 V HN 1.086 nan 8.190 nan 0.000 0.431 490 A N 7.941 130.852 122.820 0.153 0.000 2.484 490 A HA 0.478 4.798 4.320 -0.000 0.000 0.268 490 A C -1.582 176.072 177.584 0.118 0.000 1.114 490 A CA -0.904 51.200 52.037 0.112 0.000 0.780 490 A CB 0.073 19.116 19.000 0.073 0.000 1.061 490 A HN 0.806 nan 8.150 nan 0.000 0.505 491 P HA -0.155 nan 4.420 nan 0.000 0.221 491 P C 1.433 178.737 177.300 0.007 0.000 1.145 491 P CA 1.774 64.884 63.100 0.017 0.000 0.795 491 P CB 0.155 31.652 31.700 -0.339 0.000 0.775 492 S N -1.768 113.932 115.700 -0.000 0.000 2.607 492 S HA 0.030 4.500 4.470 -0.000 0.000 0.224 492 S C 1.700 176.323 174.600 0.038 0.000 0.969 492 S CA 0.227 58.434 58.200 0.012 0.000 0.927 492 S CB -1.375 61.875 63.200 0.084 0.000 0.772 492 S HN 0.084 nan 8.310 nan 0.000 0.533 493 L N 0.818 122.068 121.223 0.045 0.000 2.131 493 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 493 L C 0.347 177.222 176.870 0.008 0.000 1.092 493 L CA 0.721 55.591 54.840 0.051 0.000 0.759 493 L CB -0.066 42.027 42.059 0.056 0.000 0.903 493 L HN 0.288 nan 8.230 nan 0.000 0.435 494 V N -0.966 118.925 119.914 -0.037 0.000 2.464 494 V HA 0.214 4.333 4.120 -0.000 0.000 0.255 494 V C -0.350 175.616 176.094 -0.213 0.000 0.946 494 V CA -0.648 61.590 62.300 -0.103 0.000 0.988 494 V CB 0.687 32.447 31.823 -0.104 0.000 1.210 494 V HN 0.062 nan 8.190 nan 0.000 0.523 495 D N 1.269 121.461 120.400 -0.346 0.000 2.411 495 D HA 0.145 4.785 4.640 -0.000 0.000 0.251 495 D C 1.610 177.538 176.300 -0.620 0.000 1.201 495 D CA 0.639 54.290 54.000 -0.582 0.000 0.996 495 D CB 1.961 42.151 40.800 -1.016 0.000 1.101 495 D HN 0.418 nan 8.370 nan 0.000 0.504 496 S N 0.339 115.730 115.700 -0.516 0.000 2.469 496 S HA -0.233 4.237 4.470 -0.000 0.000 0.238 496 S C 1.583 176.161 174.600 -0.037 0.000 0.998 496 S CA 0.955 58.976 58.200 -0.299 0.000 0.957 496 S CB -0.586 62.611 63.200 -0.006 0.000 0.764 496 S HN 0.601 nan 8.310 nan 0.000 0.514 497 Y N -0.031 120.301 120.300 0.053 0.000 2.468 497 Y HA 0.573 5.122 4.550 -0.001 0.000 0.268 497 Y C 0.446 176.372 175.900 0.043 0.000 1.177 497 Y CA -2.393 55.742 58.100 0.059 0.000 1.265 497 Y CB -0.990 37.482 38.460 0.020 0.000 1.103 497 Y HN 0.186 nan 8.280 nan 0.000 0.522 498 I N 3.328 123.909 120.570 0.017 0.000 2.742 498 I HA -0.073 4.096 4.170 -0.000 0.000 0.287 498 I C 0.273 176.468 176.117 0.130 0.000 1.186 498 I CA 0.328 61.678 61.300 0.084 0.000 1.417 498 I CB -0.261 37.730 38.000 -0.015 0.000 1.377 498 I HN 0.425 nan 8.210 nan 0.000 0.556 499 N N 6.029 124.798 118.700 0.115 0.000 2.696 499 N HA -0.271 4.469 4.740 -0.000 0.000 0.271 499 N C -0.086 175.473 175.510 0.081 0.000 0.997 499 N CA 0.672 53.755 53.050 0.054 0.000 0.801 499 N CB -0.804 37.706 38.487 0.039 0.000 0.913 499 N HN 0.633 nan 8.380 nan 0.000 0.557 500 I N -0.250 120.372 120.570 0.088 0.000 2.556 500 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 500 I C 1.490 177.646 176.117 0.065 0.000 1.114 500 I CA 1.281 62.645 61.300 0.108 0.000 1.418 500 I CB 0.257 38.332 38.000 0.125 0.000 1.394 500 I HN 0.606 nan 8.210 nan 0.000 0.552 501 G N 4.577 113.422 108.800 0.076 0.000 2.195 501 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.246 501 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.246 501 G C 0.144 175.076 174.900 0.054 0.000 0.984 501 G CA 0.053 45.185 45.100 0.053 0.000 0.633 501 G HN 1.082 nan 8.290 nan 0.000 0.525 502 A N -0.417 122.446 122.820 0.071 0.000 2.311 502 A HA 0.890 5.210 4.320 -0.000 0.000 0.334 502 A C 0.271 177.939 177.584 0.140 0.000 1.139 502 A CA -0.000 52.090 52.037 0.088 0.000 0.830 502 A CB 0.956 19.991 19.000 0.058 0.000 1.234 502 A HN 0.764 nan 8.150 nan 0.000 0.483 503 R N 1.408 122.005 120.500 0.161 0.000 2.275 503 R HA 0.407 4.747 4.340 -0.000 0.000 0.326 503 R C -1.669 174.798 176.300 0.279 0.000 0.973 503 R CA -0.236 55.964 56.100 0.167 0.000 0.854 503 R CB 0.657 31.018 30.300 0.101 0.000 1.156 503 R HN 0.793 nan 8.270 nan 0.000 0.487 504 W N 5.004 126.307 121.300 0.006 0.000 3.544 504 W HA 0.173 4.832 4.660 -0.001 0.000 0.326 504 W C -1.240 175.265 176.519 -0.023 0.000 1.137 504 W CA -0.584 56.756 57.345 -0.008 0.000 1.252 504 W CB 1.877 31.341 29.460 0.006 0.000 1.302 504 W HN 0.683 nan 8.180 nan 0.000 0.467 505 S N 4.694 120.116 115.700 -0.462 0.000 2.565 505 S HA 0.466 4.935 4.470 -0.000 0.000 0.276 505 S C 0.016 174.317 174.600 -0.497 0.000 1.326 505 S CA -0.574 57.377 58.200 -0.416 0.000 1.045 505 S CB 1.351 64.284 63.200 -0.444 0.000 0.918 505 S HN 0.432 nan 8.310 nan 0.000 0.505 506 L N 2.838 123.940 121.223 -0.202 0.000 2.455 506 L HA 0.104 4.443 4.340 -0.000 0.000 0.272 506 L C 1.169 177.970 176.870 -0.115 0.000 1.174 506 L CA -0.533 54.273 54.840 -0.058 0.000 0.869 506 L CB 0.092 42.126 42.059 -0.041 0.000 1.130 506 L HN 0.743 nan 8.230 nan 0.000 0.474 507 D N 3.602 124.014 120.400 0.020 0.000 2.126 507 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 507 D C -0.449 175.851 176.300 0.000 0.000 1.001 507 D CA 1.741 55.745 54.000 0.008 0.000 0.841 507 D CB -1.084 39.803 40.800 0.145 0.000 0.949 507 D HN 0.523 nan 8.370 nan 0.000 0.446 508 P HA -0.055 nan 4.420 nan 0.000 0.226 508 P C 1.294 178.584 177.300 -0.017 0.000 1.153 508 P CA 0.885 64.008 63.100 0.038 0.000 0.777 508 P CB 0.029 31.735 31.700 0.011 0.000 0.794 509 M N -0.580 118.970 119.600 -0.083 0.000 2.558 509 M HA 0.005 4.485 4.480 -0.000 0.000 0.255 509 M C 1.190 177.421 176.300 -0.115 0.000 1.113 509 M CA 0.785 56.020 55.300 -0.108 0.000 1.097 509 M CB -1.303 31.203 32.600 -0.157 0.000 1.426 509 M HN -0.118 nan 8.290 nan 0.000 0.488 510 D N 1.386 121.709 120.400 -0.128 0.000 2.123 510 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 510 D C 1.095 177.465 176.300 0.115 0.000 0.992 510 D CA 1.177 55.075 54.000 -0.170 0.000 0.833 510 D CB -0.162 40.438 40.800 -0.334 0.000 0.954 510 D HN 0.313 nan 8.370 nan 0.000 0.455 511 N N -0.289 118.528 118.700 0.195 0.000 2.235 511 N HA 0.054 4.794 4.740 -0.000 0.000 0.209 511 N C -0.535 175.176 175.510 0.335 0.000 1.122 511 N CA -0.015 53.228 53.050 0.322 0.000 0.845 511 N CB 1.163 39.781 38.487 0.217 0.000 1.004 511 N HN -0.022 nan 8.380 nan 0.000 0.499 512 V N 1.719 121.734 119.914 0.168 0.000 2.439 512 V HA 0.142 4.262 4.120 -0.000 0.000 0.282 512 V C 0.467 176.415 176.094 -0.243 0.000 1.039 512 V CA -1.099 61.229 62.300 0.046 0.000 0.913 512 V CB 1.410 33.232 31.823 -0.002 0.000 0.983 512 V HN 0.189 nan 8.190 nan 0.000 0.460 513 N N 8.026 126.437 118.700 -0.482 0.000 2.417 513 N HA 0.029 4.769 4.740 -0.000 0.000 0.272 513 N C -1.345 173.856 175.510 -0.515 0.000 1.304 513 N CA -1.188 51.221 53.050 -1.067 0.000 0.906 513 N CB 1.280 39.518 38.487 -0.415 0.000 1.135 513 N HN 0.377 nan 8.380 nan 0.000 0.483 514 P HA -0.020 nan 4.420 nan 0.000 0.241 514 P C 0.659 177.661 177.300 -0.497 0.000 1.191 514 P CA 0.713 63.428 63.100 -0.642 0.000 0.771 514 P CB -0.024 31.032 31.700 -1.074 0.000 0.929 515 F N -0.115 119.807 119.950 -0.047 0.000 2.743 515 F HA 0.107 4.633 4.527 -0.001 0.000 0.297 515 F C 0.958 176.802 175.800 0.074 0.000 1.131 515 F CA 0.135 58.180 58.000 0.076 0.000 1.426 515 F CB -0.638 38.424 39.000 0.103 0.000 1.116 515 F HN -0.163 nan 8.300 nan 0.000 0.583 516 N N 1.178 119.982 118.700 0.175 0.000 2.868 516 N HA 0.065 4.805 4.740 -0.000 0.000 0.252 516 N C -0.838 174.772 175.510 0.167 0.000 1.130 516 N CA 0.296 53.455 53.050 0.181 0.000 1.026 516 N CB -0.416 38.186 38.487 0.192 0.000 1.335 516 N HN 0.234 nan 8.380 nan 0.000 0.516 517 H N 0.423 119.508 119.070 0.025 0.000 3.112 517 H HA 0.021 4.576 4.556 -0.000 0.000 0.347 517 H C 0.601 175.951 175.328 0.036 0.000 1.188 517 H CA -0.347 55.603 56.048 -0.164 0.000 1.240 517 H CB 1.116 30.607 29.762 -0.453 0.000 1.920 517 H HN 0.513 nan 8.280 nan 0.000 0.535 518 H N 2.954 121.985 119.070 -0.066 0.000 2.546 518 H HA 0.079 4.634 4.556 -0.000 0.000 0.277 518 H C 0.354 175.884 175.328 0.336 0.000 1.004 518 H CA 0.343 56.552 56.048 0.269 0.000 1.231 518 H CB 0.303 30.173 29.762 0.180 0.000 1.382 518 H HN 0.367 nan 8.280 nan 0.000 0.580 519 R N 1.034 121.573 120.500 0.065 0.000 2.426 519 R HA 0.040 4.380 4.340 -0.000 0.000 0.263 519 R C 0.224 176.564 176.300 0.066 0.000 0.961 519 R CA -0.303 55.831 56.100 0.056 0.000 1.086 519 R CB 0.086 30.348 30.300 -0.064 0.000 1.186 519 R HN 0.103 nan 8.270 nan 0.000 0.537 520 N N 1.520 120.291 118.700 0.117 0.000 2.400 520 N HA -0.005 4.735 4.740 -0.000 0.000 0.278 520 N C 0.696 176.256 175.510 0.082 0.000 1.247 520 N CA -0.001 53.121 53.050 0.121 0.000 0.970 520 N CB 1.079 39.670 38.487 0.174 0.000 1.312 520 N HN 0.193 nan 8.380 nan 0.000 0.488 521 A N 3.457 126.332 122.820 0.092 0.000 1.972 521 A HA -0.033 4.287 4.320 -0.000 0.000 0.219 521 A C 1.967 179.637 177.584 0.143 0.000 1.169 521 A CA 1.649 53.758 52.037 0.120 0.000 0.635 521 A CB -0.742 18.352 19.000 0.156 0.000 0.810 521 A HN 0.646 nan 8.150 nan 0.000 0.446 522 G N -0.051 108.806 108.800 0.095 0.000 2.414 522 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.215 522 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.215 522 G C 1.488 176.355 174.900 -0.054 0.000 1.188 522 G CA 1.137 46.176 45.100 -0.103 0.000 0.783 522 G HN 0.531 nan 8.290 nan 0.000 0.537 523 L N 0.753 121.979 121.223 0.004 0.000 2.046 523 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 523 L C 2.696 179.524 176.870 -0.070 0.000 1.077 523 L CA 2.340 57.184 54.840 0.006 0.000 0.747 523 L CB -0.667 41.437 42.059 0.075 0.000 0.896 523 L HN 0.256 nan 8.230 nan 0.000 0.432 524 R N -1.728 118.659 120.500 -0.190 0.000 2.083 524 R HA -0.281 4.059 4.340 -0.000 0.000 0.237 524 R C 2.456 178.634 176.300 -0.202 0.000 1.137 524 R CA 2.148 57.936 56.100 -0.520 0.000 0.951 524 R CB -0.765 29.174 30.300 -0.603 0.000 0.851 524 R HN 0.586 nan 8.270 nan 0.000 0.434 525 Y N 0.789 121.000 120.300 -0.149 0.000 2.181 525 Y HA -0.204 4.346 4.550 -0.000 0.000 0.288 525 Y C 2.171 178.021 175.900 -0.084 0.000 1.146 525 Y CA 1.847 59.907 58.100 -0.068 0.000 1.164 525 Y CB -0.009 38.429 38.460 -0.036 0.000 0.982 525 Y HN 0.008 nan 8.280 nan 0.000 0.515 526 R N -0.532 119.890 120.500 -0.129 0.000 2.092 526 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 526 R C 2.776 179.000 176.300 -0.126 0.000 1.119 526 R CA 1.285 57.280 56.100 -0.175 0.000 0.970 526 R CB -0.546 29.704 30.300 -0.082 0.000 0.864 526 R HN 0.303 nan 8.270 nan 0.000 0.440 527 S N 0.274 115.943 115.700 -0.052 0.000 2.368 527 S HA -0.138 4.331 4.470 -0.000 0.000 0.225 527 S C 1.881 176.516 174.600 0.057 0.000 1.030 527 S CA 1.242 59.477 58.200 0.058 0.000 0.999 527 S CB 0.009 63.385 63.200 0.295 0.000 0.844 527 S HN 0.228 nan 8.310 nan 0.000 0.459 528 M N 0.472 120.069 119.600 -0.005 0.000 2.419 528 M HA 0.113 4.592 4.480 -0.000 0.000 0.264 528 M C 1.931 178.179 176.300 -0.087 0.000 1.082 528 M CA 0.636 55.941 55.300 0.008 0.000 1.119 528 M CB -0.239 32.369 32.600 0.013 0.000 1.398 528 M HN 0.329 nan 8.290 nan 0.000 0.453 529 L N 0.075 121.155 121.223 -0.239 0.000 2.083 529 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 529 L C 2.149 178.982 176.870 -0.062 0.000 1.083 529 L CA 1.193 55.896 54.840 -0.228 0.000 0.752 529 L CB -0.408 41.440 42.059 -0.351 0.000 0.899 529 L HN 0.367 nan 8.230 nan 0.000 0.433 530 L N -1.284 119.922 121.223 -0.030 0.000 2.156 530 L HA 0.092 4.432 4.340 -0.000 0.000 0.208 530 L C 1.130 178.019 176.870 0.031 0.000 1.095 530 L CA 0.682 55.533 54.840 0.019 0.000 0.770 530 L CB -0.494 41.538 42.059 -0.046 0.000 0.914 530 L HN 0.440 nan 8.230 nan 0.000 0.439 531 G N 0.002 108.830 108.800 0.047 0.000 2.315 531 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.296 531 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.296 531 G C -0.423 174.586 174.900 0.181 0.000 1.289 531 G CA -0.015 45.138 45.100 0.090 0.000 0.996 531 G HN 0.106 nan 8.290 nan 0.000 0.487 532 N N 0.112 118.929 118.700 0.196 0.000 2.205 532 N HA 0.343 5.083 4.740 -0.000 0.000 0.201 532 N C 0.786 176.523 175.510 0.379 0.000 1.128 532 N CA 0.949 54.166 53.050 0.279 0.000 0.867 532 N CB 0.910 39.486 38.487 0.149 0.000 0.996 532 N HN 1.116 nan 8.380 nan 0.000 0.503 533 G N 0.647 109.627 108.800 0.301 0.000 2.489 533 G HA2 0.391 4.351 3.960 -0.000 0.000 0.327 533 G HA3 0.391 4.351 3.960 -0.000 0.000 0.327 533 G C 0.733 175.699 174.900 0.109 0.000 1.189 533 G CA -0.928 44.316 45.100 0.240 0.000 0.962 533 G HN 0.228 nan 8.290 nan 0.000 0.486 534 R N -1.152 119.321 120.500 -0.045 0.000 2.189 534 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 534 R C -0.472 175.569 176.300 -0.430 0.000 1.092 534 R CA 0.735 56.618 56.100 -0.362 0.000 0.989 534 R CB -0.206 29.826 30.300 -0.447 0.000 0.876 534 R HN 0.364 nan 8.270 nan 0.000 0.457 535 Y N 1.186 121.473 120.300 -0.021 0.000 2.434 535 Y HA 0.428 4.977 4.550 -0.000 0.000 0.341 535 Y C -0.582 175.317 175.900 -0.001 0.000 0.965 535 Y CA -1.322 56.770 58.100 -0.014 0.000 1.205 535 Y CB 1.893 40.358 38.460 0.007 0.000 1.121 535 Y HN -0.243 nan 8.280 nan 0.000 0.507 536 V N 6.200 126.199 119.914 0.143 0.000 2.398 536 V HA 0.340 4.459 4.120 -0.000 0.000 0.282 536 V C -2.470 173.748 176.094 0.207 0.000 1.014 536 V CA -2.030 60.347 62.300 0.130 0.000 0.838 536 V CB 1.823 33.681 31.823 0.059 0.000 1.018 536 V HN 0.500 nan 8.190 nan 0.000 0.432 537 P HA 0.323 nan 4.420 nan 0.000 0.282 537 P C -0.859 176.517 177.300 0.126 0.000 1.274 537 P CA 0.011 63.154 63.100 0.072 0.000 0.770 537 P CB 0.499 32.199 31.700 0.001 0.000 0.867 538 F N 0.635 120.644 119.950 0.099 0.000 2.556 538 F HA 0.651 5.178 4.527 -0.000 0.000 0.327 538 F C -0.490 175.415 175.800 0.175 0.000 1.059 538 F CA -1.234 56.860 58.000 0.157 0.000 0.953 538 F CB 1.667 40.821 39.000 0.256 0.000 1.227 538 F HN 0.368 nan 8.300 nan 0.000 0.478 539 H N 3.576 122.761 119.070 0.192 0.000 3.013 539 H HA 0.620 5.176 4.556 -0.000 0.000 0.326 539 H C -1.396 174.004 175.328 0.119 0.000 0.973 539 H CA -0.931 55.162 56.048 0.075 0.000 1.369 539 H CB 1.475 31.243 29.762 0.010 0.000 1.598 539 H HN 0.862 nan 8.280 nan 0.000 0.518 540 I N 1.121 121.793 120.570 0.171 0.000 2.892 540 I HA 0.499 4.669 4.170 -0.000 0.000 0.306 540 I C -1.444 174.555 176.117 -0.198 0.000 1.078 540 I CA -1.279 59.966 61.300 -0.091 0.000 1.032 540 I CB 2.589 40.395 38.000 -0.323 0.000 1.229 540 I HN 0.384 nan 8.210 nan 0.000 0.435 541 Q N 3.064 122.724 119.800 -0.234 0.000 2.333 541 Q HA 0.623 4.963 4.340 -0.000 0.000 0.265 541 Q C -1.118 174.954 176.000 0.119 0.000 0.989 541 Q CA -0.564 55.150 55.803 -0.149 0.000 0.842 541 Q CB 2.432 30.811 28.738 -0.597 0.000 1.262 541 Q HN 0.559 nan 8.270 nan 0.000 0.451 542 V N 4.758 124.787 119.914 0.193 0.000 2.417 542 V HA 0.555 4.674 4.120 -0.000 0.000 0.291 542 V C -2.136 174.121 176.094 0.271 0.000 1.024 542 V CA -1.902 60.530 62.300 0.220 0.000 0.861 542 V CB 1.450 33.322 31.823 0.081 0.000 0.985 542 V HN 0.704 nan 8.190 nan 0.000 0.436 543 P HA 0.256 nan 4.420 nan 0.000 0.278 543 P C -1.123 176.081 177.300 -0.161 0.000 1.258 543 P CA -0.652 62.253 63.100 -0.324 0.000 0.811 543 P CB 0.960 32.157 31.700 -0.837 0.000 1.063 544 Q N 0.937 120.638 119.800 -0.166 0.000 2.294 544 Q HA 0.155 4.494 4.340 -0.000 0.000 0.257 544 Q C 0.319 176.187 176.000 -0.220 0.000 0.955 544 Q CA 0.582 56.306 55.803 -0.131 0.000 0.936 544 Q CB 0.534 29.234 28.738 -0.063 0.000 1.188 544 Q HN 0.272 nan 8.270 nan 0.000 0.420 545 K N 3.393 123.649 120.400 -0.241 0.000 2.358 545 K HA 0.146 4.465 4.320 -0.000 0.000 0.200 545 K C -0.322 176.188 176.600 -0.151 0.000 1.030 545 K CA -0.230 55.804 56.287 -0.422 0.000 1.097 545 K CB 0.448 32.470 32.500 -0.797 0.000 0.862 545 K HN 0.456 nan 8.250 nan 0.000 0.534 546 F N 2.018 121.874 119.950 -0.157 0.000 2.495 546 F HA 0.034 4.561 4.527 -0.000 0.000 0.365 546 F C 0.991 176.792 175.800 0.001 0.000 1.090 546 F CA -1.238 56.770 58.000 0.013 0.000 1.235 546 F CB 0.404 39.544 39.000 0.233 0.000 1.119 546 F HN 0.023 nan 8.300 nan 0.000 0.562 547 F N 3.616 123.102 119.950 -0.775 0.000 2.259 547 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 547 F C 1.725 177.262 175.800 -0.438 0.000 1.088 547 F CA 1.009 58.745 58.000 -0.441 0.000 1.358 547 F CB -1.092 37.717 39.000 -0.318 0.000 1.040 547 F HN 0.396 nan 8.300 nan 0.000 0.505 548 A N 1.492 123.382 122.820 -1.550 0.000 2.066 548 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 548 A C 2.137 179.425 177.584 -0.495 0.000 1.157 548 A CA 1.540 53.020 52.037 -0.929 0.000 0.670 548 A CB -0.993 17.638 19.000 -0.615 0.000 0.804 548 A HN 0.751 nan 8.150 nan 0.000 0.453 549 I N -4.011 116.371 120.570 -0.313 0.000 4.592 549 I HA 0.155 4.325 4.170 -0.000 0.000 0.329 549 I C 1.555 177.498 176.117 -0.289 0.000 1.309 549 I CA 0.636 61.787 61.300 -0.249 0.000 1.243 549 I CB -0.091 37.883 38.000 -0.043 0.000 1.241 549 I HN 0.176 nan 8.210 nan 0.000 0.434 550 K N 1.488 121.736 120.400 -0.254 0.000 2.286 550 K HA 0.028 4.348 4.320 -0.000 0.000 0.203 550 K C 1.052 177.529 176.600 -0.206 0.000 1.045 550 K CA 1.862 58.040 56.287 -0.181 0.000 0.935 550 K CB -0.322 32.122 32.500 -0.093 0.000 0.737 550 K HN 0.289 nan 8.250 nan 0.000 0.460 551 S N 0.140 115.623 115.700 -0.362 0.000 2.847 551 S HA 0.173 4.643 4.470 -0.000 0.000 0.254 551 S C -0.444 174.056 174.600 -0.166 0.000 1.039 551 S CA -0.741 57.327 58.200 -0.221 0.000 1.113 551 S CB 0.238 63.387 63.200 -0.085 0.000 1.092 551 S HN 0.228 nan 8.310 nan 0.000 0.620 552 L N 2.991 124.026 121.223 -0.314 0.000 2.540 552 L HA 0.241 4.581 4.340 -0.000 0.000 0.276 552 L C -0.327 176.533 176.870 -0.018 0.000 1.212 552 L CA 0.102 54.899 54.840 -0.071 0.000 0.893 552 L CB 0.222 42.189 42.059 -0.152 0.000 1.138 552 L HN 0.199 nan 8.230 nan 0.000 0.491 553 L N 6.200 127.462 121.223 0.065 0.000 2.261 553 L HA 0.384 4.724 4.340 -0.000 0.000 0.289 553 L C -0.775 176.077 176.870 -0.030 0.000 1.059 553 L CA -0.069 54.774 54.840 0.005 0.000 0.816 553 L CB 0.855 42.933 42.059 0.031 0.000 1.191 553 L HN 0.684 nan 8.230 nan 0.000 0.431 554 L N 6.051 127.216 121.223 -0.097 0.000 2.265 554 L HA 0.448 4.788 4.340 -0.000 0.000 0.288 554 L C -0.413 176.426 176.870 -0.052 0.000 1.058 554 L CA 0.102 54.844 54.840 -0.163 0.000 0.809 554 L CB 0.675 42.520 42.059 -0.358 0.000 1.179 554 L HN 0.576 nan 8.230 nan 0.000 0.429 555 L N 5.508 126.744 121.223 0.022 0.000 2.482 555 L HA 0.422 4.762 4.340 -0.000 0.000 0.242 555 L C -1.842 175.131 176.870 0.172 0.000 1.210 555 L CA -2.033 52.859 54.840 0.086 0.000 0.819 555 L CB -0.106 41.998 42.059 0.075 0.000 1.203 555 L HN 0.473 nan 8.230 nan 0.000 0.495 556 P HA 0.100 nan 4.420 nan 0.000 0.264 556 P C -0.226 177.214 177.300 0.234 0.000 1.183 556 P CA 0.577 63.784 63.100 0.178 0.000 0.763 556 P CB 0.484 32.235 31.700 0.085 0.000 0.807 557 G N 0.957 109.926 108.800 0.282 0.000 2.333 557 G HA2 0.348 4.308 3.960 -0.000 0.000 0.288 557 G HA3 0.348 4.308 3.960 -0.000 0.000 0.288 557 G C -1.490 173.380 174.900 -0.050 0.000 1.286 557 G CA -0.384 44.698 45.100 -0.031 0.000 0.865 557 G HN 0.337 nan 8.290 nan 0.000 0.506 558 S N -0.873 114.587 115.700 -0.400 0.000 2.536 558 S HA 0.892 5.361 4.470 -0.000 0.000 0.298 558 S C -1.627 172.721 174.600 -0.420 0.000 1.083 558 S CA -0.349 57.748 58.200 -0.170 0.000 0.995 558 S CB 1.261 64.416 63.200 -0.074 0.000 1.058 558 S HN 0.513 nan 8.310 nan 0.000 0.488 559 Y N -0.197 120.102 120.300 -0.002 0.000 2.571 559 Y HA 0.502 5.052 4.550 -0.000 0.000 0.341 559 Y C 0.203 176.131 175.900 0.046 0.000 1.076 559 Y CA -0.885 57.220 58.100 0.009 0.000 1.029 559 Y CB 1.733 40.180 38.460 -0.021 0.000 1.308 559 Y HN 0.478 nan 8.280 nan 0.000 0.461 560 T N 2.034 116.733 114.554 0.242 0.000 2.794 560 T HA 0.462 4.812 4.350 -0.000 0.000 0.280 560 T C -1.799 173.098 174.700 0.329 0.000 0.987 560 T CA -0.364 61.871 62.100 0.225 0.000 0.993 560 T CB 0.192 69.139 68.868 0.132 0.000 0.939 560 T HN 0.607 nan 8.240 nan 0.000 0.449 561 Y N 3.768 124.202 120.300 0.224 0.000 2.391 561 Y HA 0.598 5.148 4.550 -0.001 0.000 0.341 561 Y C -0.568 175.572 175.900 0.399 0.000 0.965 561 Y CA -0.909 57.366 58.100 0.292 0.000 1.067 561 Y CB 1.157 39.765 38.460 0.246 0.000 1.199 561 Y HN 0.464 nan 8.280 nan 0.000 0.450 562 E N 6.691 127.110 120.200 0.364 0.000 2.304 562 E HA 0.188 4.537 4.350 -0.000 0.000 0.277 562 E C -2.162 174.444 176.600 0.010 0.000 0.898 562 E CA -0.303 56.180 56.400 0.139 0.000 0.764 562 E CB 1.955 31.672 29.700 0.028 0.000 1.216 562 E HN 0.802 nan 8.360 nan 0.000 0.419 563 W N 2.845 124.020 121.300 -0.207 0.000 3.167 563 W HA 0.386 5.046 4.660 -0.001 0.000 0.324 563 W C -1.128 175.153 176.519 -0.397 0.000 1.230 563 W CA -0.485 56.599 57.345 -0.434 0.000 1.184 563 W CB 2.033 30.995 29.460 -0.829 0.000 1.414 563 W HN 0.458 nan 8.180 nan 0.000 0.551 564 N N 1.851 120.304 118.700 -0.411 0.000 2.321 564 N HA 0.534 5.274 4.740 -0.000 0.000 0.299 564 N C -1.383 174.056 175.510 -0.118 0.000 1.048 564 N CA -0.319 52.663 53.050 -0.113 0.000 0.836 564 N CB 1.630 40.032 38.487 -0.143 0.000 1.269 564 N HN -0.001 nan 8.380 nan 0.000 0.486 565 F N 0.312 120.371 119.950 0.181 0.000 2.450 565 F HA 0.501 5.028 4.527 -0.000 0.000 0.332 565 F C 1.028 176.984 175.800 0.261 0.000 1.093 565 F CA -1.043 57.004 58.000 0.078 0.000 1.003 565 F CB 1.311 40.157 39.000 -0.257 0.000 1.151 565 F HN 0.064 nan 8.300 nan 0.000 0.474 566 R N 1.787 122.412 120.500 0.209 0.000 2.441 566 R HA 0.223 4.562 4.340 -0.000 0.000 0.284 566 R C 0.583 177.145 176.300 0.438 0.000 1.070 566 R CA -0.406 55.821 56.100 0.212 0.000 1.047 566 R CB 1.013 31.219 30.300 -0.157 0.000 1.016 566 R HN 0.717 nan 8.270 nan 0.000 0.477 567 K N 0.605 121.264 120.400 0.431 0.000 2.361 567 K HA -0.026 4.294 4.320 -0.000 0.000 0.194 567 K C -0.072 176.699 176.600 0.285 0.000 1.032 567 K CA 0.132 56.622 56.287 0.339 0.000 1.048 567 K CB 0.291 32.962 32.500 0.285 0.000 0.842 567 K HN 0.465 nan 8.250 nan 0.000 0.526 568 D N 0.821 121.438 120.400 0.361 0.000 2.317 568 D HA -0.025 4.615 4.640 -0.000 0.000 0.252 568 D C 1.211 177.672 176.300 0.268 0.000 1.174 568 D CA -0.267 53.982 54.000 0.414 0.000 0.866 568 D CB 1.546 42.697 40.800 0.585 0.000 1.127 568 D HN -0.094 nan 8.370 nan 0.000 0.467 569 V N 2.215 122.253 119.914 0.206 0.000 2.626 569 V HA -0.121 3.998 4.120 -0.000 0.000 0.252 569 V C 1.601 177.760 176.094 0.108 0.000 1.067 569 V CA 1.069 63.438 62.300 0.115 0.000 1.081 569 V CB -0.696 31.157 31.823 0.049 0.000 0.686 569 V HN 0.418 nan 8.190 nan 0.000 0.468 570 N N 0.084 118.872 118.700 0.146 0.000 2.396 570 N HA 0.020 4.760 4.740 -0.000 0.000 0.180 570 N C 1.642 177.345 175.510 0.321 0.000 1.028 570 N CA 1.419 54.548 53.050 0.133 0.000 0.893 570 N CB -0.224 38.292 38.487 0.048 0.000 0.967 570 N HN 0.414 nan 8.380 nan 0.000 0.440 571 M N 0.112 119.894 119.600 0.303 0.000 2.325 571 M HA 0.132 4.612 4.480 -0.000 0.000 0.265 571 M C 2.066 178.480 176.300 0.189 0.000 1.094 571 M CA 0.814 56.254 55.300 0.234 0.000 1.161 571 M CB -0.568 32.100 32.600 0.114 0.000 1.358 571 M HN 0.140 nan 8.290 nan 0.000 0.446 572 I N -2.168 118.519 120.570 0.195 0.000 3.228 572 I HA 0.142 4.312 4.170 -0.000 0.000 0.279 572 I C 0.441 176.713 176.117 0.258 0.000 1.221 572 I CA 0.163 61.618 61.300 0.258 0.000 1.458 572 I CB 0.105 38.299 38.000 0.322 0.000 1.105 572 I HN -0.059 nan 8.210 nan 0.000 0.445 573 L N 1.702 122.986 121.223 0.101 0.000 2.352 573 L HA 0.528 4.867 4.340 -0.000 0.000 0.269 573 L C -0.300 176.575 176.870 0.007 0.000 1.034 573 L CA -0.454 54.368 54.840 -0.029 0.000 0.806 573 L CB 1.464 43.436 42.059 -0.145 0.000 1.244 573 L HN 0.230 nan 8.230 nan 0.000 0.447 574 Q N 1.182 120.968 119.800 -0.024 0.000 2.347 574 Q HA 0.530 4.870 4.340 -0.000 0.000 0.271 574 Q C -1.382 174.608 176.000 -0.017 0.000 1.064 574 Q CA -0.590 55.202 55.803 -0.017 0.000 0.800 574 Q CB 2.445 31.198 28.738 0.027 0.000 1.304 574 Q HN 0.787 nan 8.270 nan 0.000 0.438 575 S N 1.005 116.685 115.700 -0.034 0.000 2.648 575 S HA 0.425 4.895 4.470 -0.000 0.000 0.305 575 S C 0.626 175.263 174.600 0.061 0.000 1.094 575 S CA -0.006 58.211 58.200 0.027 0.000 0.983 575 S CB 1.641 64.842 63.200 0.001 0.000 1.101 575 S HN 0.751 nan 8.310 nan 0.000 0.514 576 S N 0.839 116.622 115.700 0.138 0.000 2.425 576 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 576 S C 1.615 176.313 174.600 0.164 0.000 1.024 576 S CA 0.087 58.399 58.200 0.186 0.000 0.951 576 S CB -0.847 62.527 63.200 0.289 0.000 0.796 576 S HN 0.644 nan 8.310 nan 0.000 0.498 577 L N 1.108 122.398 121.223 0.112 0.000 2.313 577 L HA 0.218 4.557 4.340 -0.000 0.000 0.214 577 L C 2.038 178.941 176.870 0.055 0.000 1.119 577 L CA 0.660 55.550 54.840 0.082 0.000 0.809 577 L CB -0.943 41.138 42.059 0.037 0.000 0.933 577 L HN 0.616 nan 8.230 nan 0.000 0.449 578 G N 0.941 109.725 108.800 -0.028 0.000 2.143 578 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 578 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 578 G C 0.214 175.032 174.900 -0.137 0.000 0.991 578 G CA 0.403 45.379 45.100 -0.207 0.000 0.689 578 G HN 0.544 nan 8.290 nan 0.000 0.522 579 N N 0.549 119.225 118.700 -0.041 0.000 2.371 579 N HA 0.263 5.002 4.740 -0.000 0.000 0.243 579 N C -0.260 175.222 175.510 -0.047 0.000 1.287 579 N CA 0.097 53.146 53.050 -0.003 0.000 0.911 579 N CB 0.613 39.136 38.487 0.061 0.000 1.142 579 N HN 0.141 nan 8.380 nan 0.000 0.451 580 D N 0.753 121.138 120.400 -0.025 0.000 2.398 580 D HA 0.044 4.683 4.640 -0.000 0.000 0.250 580 D C 1.094 177.382 176.300 -0.020 0.000 1.287 580 D CA -0.196 53.780 54.000 -0.040 0.000 0.992 580 D CB -0.336 40.453 40.800 -0.017 0.000 1.071 580 D HN 0.508 nan 8.370 nan 0.000 0.514 581 L N 3.092 124.292 121.223 -0.039 0.000 2.353 581 L HA -0.133 4.207 4.340 -0.000 0.000 0.220 581 L C 2.433 179.307 176.870 0.006 0.000 1.133 581 L CA 0.621 55.447 54.840 -0.024 0.000 0.798 581 L CB -0.315 41.718 42.059 -0.043 0.000 0.922 581 L HN 0.338 nan 8.230 nan 0.000 0.445 582 R N -0.281 120.238 120.500 0.032 0.000 2.062 582 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 582 R C 2.215 178.546 176.300 0.053 0.000 1.136 582 R CA 1.862 58.004 56.100 0.070 0.000 0.948 582 R CB -0.918 29.457 30.300 0.125 0.000 0.845 582 R HN 0.267 nan 8.270 nan 0.000 0.430 583 T N 1.060 115.639 114.554 0.042 0.000 2.951 583 T HA -0.053 4.296 4.350 -0.000 0.000 0.268 583 T C 0.807 175.523 174.700 0.028 0.000 1.073 583 T CA 1.081 63.203 62.100 0.037 0.000 1.134 583 T CB -0.093 68.794 68.868 0.032 0.000 0.884 583 T HN 0.135 nan 8.240 nan 0.000 0.479 584 D N 0.440 120.852 120.400 0.020 0.000 2.336 584 D HA 0.271 4.911 4.640 -0.000 0.000 0.228 584 D C 1.442 177.737 176.300 -0.010 0.000 1.120 584 D CA 0.247 54.252 54.000 0.008 0.000 0.839 584 D CB -0.143 40.663 40.800 0.010 0.000 0.932 584 D HN 0.450 nan 8.370 nan 0.000 0.509 585 G N 0.444 109.246 108.800 0.003 0.000 2.136 585 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.242 585 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.242 585 G C 0.569 175.462 174.900 -0.011 0.000 0.989 585 G CA 0.128 45.229 45.100 0.003 0.000 0.682 585 G HN 0.577 nan 8.290 nan 0.000 0.522 586 A N -0.229 122.576 122.820 -0.026 0.000 2.407 586 A HA 0.860 5.180 4.320 -0.000 0.000 0.248 586 A C 0.773 178.342 177.584 -0.026 0.000 1.082 586 A CA 1.060 53.066 52.037 -0.052 0.000 0.785 586 A CB 0.715 19.669 19.000 -0.077 0.000 1.020 586 A HN 2.189 nan 8.150 nan 0.000 0.489 587 S N 0.878 116.555 115.700 -0.038 0.000 2.565 587 S HA 0.727 5.197 4.470 -0.000 0.000 0.269 587 S C -0.974 173.599 174.600 -0.045 0.000 1.153 587 S CA -0.587 57.600 58.200 -0.022 0.000 0.835 587 S CB 0.966 64.165 63.200 -0.001 0.000 1.122 587 S HN 1.260 nan 8.310 nan 0.000 0.462 588 I N 1.819 122.348 120.570 -0.067 0.000 2.722 588 I HA 0.645 4.814 4.170 -0.000 0.000 0.295 588 I C -1.005 174.988 176.117 -0.207 0.000 1.161 588 I CA -0.335 60.892 61.300 -0.122 0.000 1.032 588 I CB 2.256 40.142 38.000 -0.191 0.000 1.244 588 I HN 1.087 nan 8.210 nan 0.000 0.421 589 S N 5.201 120.786 115.700 -0.191 0.000 2.600 589 S HA 0.651 5.121 4.470 -0.000 0.000 0.300 589 S C -0.993 173.384 174.600 -0.373 0.000 1.087 589 S CA -0.664 57.364 58.200 -0.288 0.000 0.965 589 S CB 1.571 64.709 63.200 -0.102 0.000 1.089 589 S HN 0.392 nan 8.310 nan 0.000 0.496 590 F N 1.074 120.929 119.950 -0.160 0.000 2.404 590 F HA 0.379 4.906 4.527 -0.001 0.000 0.354 590 F C 1.522 177.141 175.800 -0.302 0.000 1.122 590 F CA -0.748 57.045 58.000 -0.345 0.000 1.080 590 F CB 1.801 40.296 39.000 -0.842 0.000 1.131 590 F HN 0.683 nan 8.300 nan 0.000 0.471 591 T N 0.255 114.772 114.554 -0.062 0.000 3.010 591 T HA 0.031 4.380 4.350 -0.000 0.000 0.252 591 T C 0.218 174.917 174.700 -0.001 0.000 1.047 591 T CA 0.651 62.727 62.100 -0.040 0.000 1.140 591 T CB 0.071 68.879 68.868 -0.100 0.000 0.885 591 T HN 0.573 nan 8.240 nan 0.000 0.464 592 S N 0.208 115.884 115.700 -0.039 0.000 2.543 592 S HA 0.611 5.081 4.470 -0.000 0.000 0.274 592 S C -1.586 173.006 174.600 -0.013 0.000 1.149 592 S CA -1.104 57.108 58.200 0.020 0.000 0.866 592 S CB 1.018 64.241 63.200 0.038 0.000 1.111 592 S HN 0.227 nan 8.310 nan 0.000 0.457 593 I N 2.666 123.260 120.570 0.041 0.000 2.411 593 I HA 0.443 4.613 4.170 -0.000 0.000 0.284 593 I C -0.699 175.581 176.117 0.272 0.000 1.012 593 I CA -0.648 60.679 61.300 0.044 0.000 1.119 593 I CB 1.454 39.356 38.000 -0.165 0.000 1.261 593 I HN 0.549 nan 8.210 nan 0.000 0.448 594 N N 5.051 123.931 118.700 0.300 0.000 2.443 594 N HA 0.556 5.296 4.740 -0.000 0.000 0.293 594 N C -1.122 174.519 175.510 0.219 0.000 1.159 594 N CA -0.658 52.585 53.050 0.321 0.000 0.904 594 N CB 2.581 41.194 38.487 0.211 0.000 1.214 594 N HN 0.325 nan 8.380 nan 0.000 0.513 595 L N 1.680 122.847 121.223 -0.092 0.000 2.295 595 L HA 0.475 4.815 4.340 -0.000 0.000 0.285 595 L C -1.457 175.264 176.870 -0.249 0.000 1.035 595 L CA -0.388 54.235 54.840 -0.362 0.000 0.806 595 L CB 0.274 41.798 42.059 -0.892 0.000 1.214 595 L HN 0.417 nan 8.230 nan 0.000 0.426 596 Y N 3.473 123.538 120.300 -0.390 0.000 2.468 596 Y HA 0.821 5.371 4.550 -0.001 0.000 0.342 596 Y C -0.029 175.648 175.900 -0.372 0.000 1.021 596 Y CA -0.480 57.373 58.100 -0.411 0.000 1.079 596 Y CB 2.336 40.311 38.460 -0.808 0.000 1.226 596 Y HN 0.752 nan 8.280 nan 0.000 0.460 597 A N 1.483 124.300 122.820 -0.005 0.000 2.491 597 A HA 0.643 4.963 4.320 -0.000 0.000 0.293 597 A C -1.233 176.354 177.584 0.005 0.000 1.047 597 A CA -0.672 51.343 52.037 -0.036 0.000 0.735 597 A CB 0.946 20.024 19.000 0.131 0.000 1.281 597 A HN 0.563 nan 8.150 nan 0.000 0.398 598 T N 2.436 116.937 114.554 -0.089 0.000 2.794 598 T HA 0.657 5.006 4.350 -0.000 0.000 0.280 598 T C -0.901 173.705 174.700 -0.157 0.000 0.987 598 T CA 0.130 62.251 62.100 0.035 0.000 0.993 598 T CB 0.189 69.128 68.868 0.117 0.000 0.939 598 T HN 0.327 nan 8.240 nan 0.000 0.449 599 F N 2.294 122.314 119.950 0.116 0.000 2.427 599 F HA 0.472 4.998 4.527 -0.000 0.000 0.346 599 F C 0.137 176.042 175.800 0.175 0.000 1.120 599 F CA -1.991 56.096 58.000 0.146 0.000 1.033 599 F CB 0.644 39.723 39.000 0.132 0.000 1.126 599 F HN 0.545 nan 8.300 nan 0.000 0.462 600 F N 6.319 126.387 119.950 0.197 0.000 2.578 600 F HA 0.251 4.778 4.527 -0.000 0.000 0.376 600 F C -1.642 174.261 175.800 0.171 0.000 1.085 600 F CA -1.797 56.292 58.000 0.149 0.000 1.260 600 F CB 0.712 39.777 39.000 0.108 0.000 1.095 600 F HN 0.263 nan 8.300 nan 0.000 0.573 601 P HA 0.023 nan 4.420 nan 0.000 0.226 601 P C -0.344 177.070 177.300 0.190 0.000 1.783 601 P CA -0.013 63.113 63.100 0.044 0.000 0.980 601 P CB -0.068 31.569 31.700 -0.104 0.000 1.967 602 M N 1.593 121.483 119.600 0.483 0.000 2.252 602 M HA 0.227 4.706 4.480 -0.000 0.000 0.348 602 M C 0.433 176.921 176.300 0.314 0.000 1.334 602 M CA -0.066 55.526 55.300 0.485 0.000 1.071 602 M CB 0.523 33.348 32.600 0.376 0.000 1.763 602 M HN 0.201 nan 8.290 nan 0.000 0.452 603 A N 3.838 126.800 122.820 0.237 0.000 2.587 603 A HA -0.055 4.264 4.320 -0.000 0.000 0.233 603 A C 0.412 178.137 177.584 0.235 0.000 1.049 603 A CA 0.100 52.224 52.037 0.145 0.000 0.754 603 A CB 0.018 19.096 19.000 0.130 0.000 0.977 603 A HN 1.002 nan 8.150 nan 0.000 0.509 604 H N 1.694 120.812 119.070 0.079 0.000 2.415 604 H HA -0.089 4.466 4.556 -0.001 0.000 0.297 604 H C 2.052 177.413 175.328 0.056 0.000 1.048 604 H CA 1.584 57.672 56.048 0.066 0.000 1.365 604 H CB -0.107 29.686 29.762 0.051 0.000 1.421 604 H HN 0.902 nan 8.280 nan 0.000 0.533 605 N N 0.293 119.098 118.700 0.175 0.000 2.137 605 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 605 N C 1.496 177.059 175.510 0.089 0.000 1.017 605 N CA 1.849 54.962 53.050 0.105 0.000 0.859 605 N CB -0.887 37.645 38.487 0.076 0.000 1.002 605 N HN 0.194 nan 8.380 nan 0.000 0.428 606 T N 0.650 115.267 114.554 0.105 0.000 2.809 606 T HA 0.206 4.556 4.350 -0.000 0.000 0.260 606 T C 2.124 176.870 174.700 0.078 0.000 1.039 606 T CA 1.386 63.537 62.100 0.084 0.000 1.141 606 T CB -0.525 68.399 68.868 0.094 0.000 0.869 606 T HN 0.495 nan 8.240 nan 0.000 0.437 607 A N 1.165 124.051 122.820 0.111 0.000 1.948 607 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 607 A C 2.542 180.158 177.584 0.055 0.000 1.177 607 A CA 2.238 54.328 52.037 0.089 0.000 0.636 607 A CB -1.079 17.994 19.000 0.123 0.000 0.815 607 A HN 0.441 nan 8.150 nan 0.000 0.449 608 S N -1.363 114.368 115.700 0.052 0.000 2.368 608 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 608 S C 2.109 176.726 174.600 0.029 0.000 1.030 608 S CA 2.100 60.319 58.200 0.031 0.000 0.999 608 S CB -0.589 62.630 63.200 0.031 0.000 0.844 608 S HN 0.639 nan 8.310 nan 0.000 0.459 609 T N 2.667 117.241 114.554 0.034 0.000 2.652 609 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 609 T C 1.689 176.402 174.700 0.021 0.000 1.039 609 T CA 1.633 63.749 62.100 0.027 0.000 1.153 609 T CB -0.572 68.313 68.868 0.029 0.000 0.863 609 T HN 0.322 nan 8.240 nan 0.000 0.428 610 L N 1.442 122.678 121.223 0.022 0.000 1.994 610 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 610 L C 2.523 179.403 176.870 0.017 0.000 1.071 610 L CA 2.256 57.105 54.840 0.015 0.000 0.745 610 L CB -0.870 41.196 42.059 0.011 0.000 0.892 610 L HN 0.390 nan 8.230 nan 0.000 0.431 611 E N -0.313 119.900 120.200 0.023 0.000 2.065 611 E HA -0.319 4.030 4.350 -0.000 0.000 0.201 611 E C 1.997 178.607 176.600 0.015 0.000 1.016 611 E CA 1.712 58.126 56.400 0.023 0.000 0.818 611 E CB -0.345 29.371 29.700 0.027 0.000 0.749 611 E HN 0.596 nan 8.360 nan 0.000 0.453 612 A N 1.263 124.091 122.820 0.015 0.000 1.851 612 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 612 A C 2.359 179.950 177.584 0.013 0.000 1.195 612 A CA 2.168 54.213 52.037 0.012 0.000 0.622 612 A CB -0.765 18.243 19.000 0.014 0.000 0.831 612 A HN 0.415 nan 8.150 nan 0.000 0.444 613 M N -0.719 118.889 119.600 0.013 0.000 2.192 613 M HA -0.190 4.290 4.480 -0.000 0.000 0.259 613 M C 1.770 178.078 176.300 0.013 0.000 1.071 613 M CA 1.441 56.748 55.300 0.012 0.000 1.082 613 M CB -0.560 32.045 32.600 0.009 0.000 1.373 613 M HN 0.354 nan 8.290 nan 0.000 0.408 614 L N -1.020 120.210 121.223 0.011 0.000 2.558 614 L HA -0.020 4.320 4.340 -0.000 0.000 0.225 614 L C 2.152 179.026 176.870 0.005 0.000 1.128 614 L CA 0.242 55.088 54.840 0.010 0.000 0.868 614 L CB -0.302 41.763 42.059 0.009 0.000 1.006 614 L HN 0.234 nan 8.230 nan 0.000 0.454 615 R N -0.296 120.203 120.500 -0.002 0.000 2.299 615 R HA -0.001 4.339 4.340 -0.000 0.000 0.197 615 R C 0.386 176.694 176.300 0.012 0.000 0.971 615 R CA -0.041 56.039 56.100 -0.032 0.000 1.030 615 R CB -0.224 30.057 30.300 -0.032 0.000 0.932 615 R HN 0.222 nan 8.270 nan 0.000 0.477 616 N N 1.138 119.869 118.700 0.052 0.000 2.488 616 N HA -0.027 4.712 4.740 -0.000 0.000 0.274 616 N C 0.403 175.996 175.510 0.139 0.000 1.111 616 N CA -0.101 53.002 53.050 0.088 0.000 0.974 616 N CB 0.920 39.436 38.487 0.048 0.000 1.089 616 N HN -0.085 nan 8.380 nan 0.000 0.465 617 D N 0.649 121.152 120.400 0.173 0.000 2.192 617 D HA -0.259 4.381 4.640 -0.000 0.000 0.189 617 D C 1.381 177.702 176.300 0.035 0.000 1.007 617 D CA 1.601 55.648 54.000 0.078 0.000 0.859 617 D CB -0.519 40.260 40.800 -0.035 0.000 0.936 617 D HN 0.602 nan 8.370 nan 0.000 0.447 618 T N 0.218 114.785 114.554 0.022 0.000 2.881 618 T HA -0.102 4.248 4.350 -0.000 0.000 0.270 618 T C 1.175 175.878 174.700 0.004 0.000 1.068 618 T CA 0.911 63.013 62.100 0.003 0.000 1.131 618 T CB -0.027 68.840 68.868 -0.000 0.000 0.871 618 T HN 0.032 nan 8.240 nan 0.000 0.479 619 N N 1.419 120.132 118.700 0.022 0.000 2.230 619 N HA 0.098 4.838 4.740 -0.000 0.000 0.202 619 N C -0.528 174.993 175.510 0.019 0.000 1.119 619 N CA -0.070 52.986 53.050 0.011 0.000 0.851 619 N CB 0.043 38.537 38.487 0.011 0.000 0.990 619 N HN 0.425 nan 8.380 nan 0.000 0.497 620 D N 2.046 122.479 120.400 0.055 0.000 2.629 620 D HA -0.084 4.556 4.640 -0.000 0.000 0.228 620 D C 0.697 176.984 176.300 -0.021 0.000 1.127 620 D CA 0.982 55.019 54.000 0.062 0.000 0.855 620 D CB 0.791 41.638 40.800 0.078 0.000 1.180 620 D HN 0.204 nan 8.370 nan 0.000 0.484 621 Q N 0.399 120.173 119.800 -0.043 0.000 2.256 621 Q HA 0.537 4.877 4.340 -0.000 0.000 0.232 621 Q C -0.127 175.698 176.000 -0.291 0.000 0.965 621 Q CA -0.581 55.114 55.803 -0.181 0.000 0.908 621 Q CB 1.330 29.985 28.738 -0.138 0.000 1.209 621 Q HN 0.524 nan 8.270 nan 0.000 0.489 622 S N 0.339 115.672 115.700 -0.612 0.000 2.533 622 S HA 0.766 5.236 4.470 -0.000 0.000 0.271 622 S C -1.406 172.758 174.600 -0.727 0.000 1.143 622 S CA -0.832 57.078 58.200 -0.483 0.000 0.891 622 S CB 0.836 63.912 63.200 -0.205 0.000 1.105 622 S HN 0.420 nan 8.310 nan 0.000 0.468 623 F N 0.741 120.734 119.950 0.071 0.000 2.588 623 F HA 0.555 5.082 4.527 -0.000 0.000 0.310 623 F C 0.080 176.025 175.800 0.243 0.000 1.082 623 F CA -0.797 57.291 58.000 0.146 0.000 0.929 623 F CB 2.112 41.204 39.000 0.153 0.000 1.254 623 F HN 0.660 nan 8.300 nan 0.000 0.455 624 N N 0.510 119.414 118.700 0.341 0.000 2.399 624 N HA 0.240 4.980 4.740 -0.000 0.000 0.295 624 N C -1.570 173.920 175.510 -0.032 0.000 1.048 624 N CA -0.747 52.367 53.050 0.106 0.000 0.886 624 N CB 1.113 39.628 38.487 0.047 0.000 1.185 624 N HN 0.628 nan 8.380 nan 0.000 0.487 625 D N 1.091 121.128 120.400 -0.604 0.000 2.458 625 D HA -0.085 4.554 4.640 -0.000 0.000 0.243 625 D C 0.626 176.790 176.300 -0.226 0.000 1.146 625 D CA 0.359 53.994 54.000 -0.607 0.000 0.877 625 D CB 0.499 40.718 40.800 -0.970 0.000 1.176 625 D HN 0.446 nan 8.370 nan 0.000 0.461 626 Y N 4.168 124.375 120.300 -0.156 0.000 2.070 626 Y HA -0.215 4.335 4.550 -0.000 0.000 0.280 626 Y C 1.826 177.633 175.900 -0.155 0.000 1.148 626 Y CA 1.620 59.648 58.100 -0.120 0.000 1.125 626 Y CB -0.420 37.989 38.460 -0.084 0.000 0.975 626 Y HN 0.538 nan 8.280 nan 0.000 0.492 627 L N 0.756 121.944 121.223 -0.060 0.000 2.021 627 L HA -0.196 4.144 4.340 -0.000 0.000 0.215 627 L C 1.471 178.171 176.870 -0.284 0.000 1.074 627 L CA 2.199 56.944 54.840 -0.157 0.000 0.760 627 L CB -1.061 40.957 42.059 -0.067 0.000 0.889 627 L HN 0.372 nan 8.230 nan 0.000 0.433 628 S N -0.739 114.790 115.700 -0.285 0.000 3.625 628 S HA 0.024 4.494 4.470 -0.000 0.000 0.426 628 S C -0.143 174.291 174.600 -0.277 0.000 0.884 628 S CA 0.403 58.411 58.200 -0.320 0.000 1.322 628 S CB -1.529 61.429 63.200 -0.403 0.000 0.905 628 S HN 1.131 nan 8.310 nan 0.000 0.586 629 A N 1.258 123.967 122.820 -0.184 0.000 2.589 629 A HA 0.831 5.151 4.320 -0.000 0.000 0.296 629 A C -0.352 177.213 177.584 -0.030 0.000 1.062 629 A CA 0.030 51.988 52.037 -0.132 0.000 0.686 629 A CB 1.139 20.067 19.000 -0.121 0.000 1.282 629 A HN 1.720 nan 8.150 nan 0.000 0.404 630 A N 2.102 124.916 122.820 -0.010 0.000 2.276 630 A HA 0.631 4.950 4.320 -0.000 0.000 0.300 630 A C -0.300 177.453 177.584 0.282 0.000 1.235 630 A CA -0.533 51.569 52.037 0.108 0.000 0.867 630 A CB 0.026 19.058 19.000 0.052 0.000 1.137 630 A HN 0.673 nan 8.150 nan 0.000 0.527 631 N N 2.922 121.808 118.700 0.311 0.000 2.408 631 N HA 0.515 5.255 4.740 -0.000 0.000 0.280 631 N C -0.983 174.783 175.510 0.427 0.000 1.002 631 N CA -0.158 53.158 53.050 0.443 0.000 0.907 631 N CB 1.554 40.326 38.487 0.474 0.000 1.161 631 N HN 0.578 nan 8.380 nan 0.000 0.488 632 M N 2.476 122.376 119.600 0.500 0.000 2.501 632 M HA 0.489 4.969 4.480 -0.000 0.000 0.293 632 M C -1.036 175.351 176.300 0.145 0.000 1.192 632 M CA -0.526 54.922 55.300 0.247 0.000 0.886 632 M CB 2.442 35.258 32.600 0.360 0.000 1.710 632 M HN 0.235 nan 8.290 nan 0.000 0.457 633 L N 2.349 123.438 121.223 -0.222 0.000 2.365 633 L HA 0.590 4.929 4.340 -0.000 0.000 0.273 633 L C -1.621 174.989 176.870 -0.433 0.000 1.000 633 L CA -0.737 54.002 54.840 -0.168 0.000 0.819 633 L CB 1.919 43.864 42.059 -0.189 0.000 1.284 633 L HN 0.537 nan 8.230 nan 0.000 0.418 634 Y N 2.278 122.610 120.300 0.053 0.000 2.409 634 Y HA 0.470 5.020 4.550 -0.000 0.000 0.343 634 Y C -2.211 173.690 175.900 0.001 0.000 0.973 634 Y CA -2.914 55.206 58.100 0.032 0.000 1.064 634 Y CB 1.327 39.810 38.460 0.039 0.000 1.207 634 Y HN 0.354 nan 8.280 nan 0.000 0.452 635 P HA 0.178 nan 4.420 nan 0.000 0.268 635 P C -0.590 176.744 177.300 0.056 0.000 1.204 635 P CA 0.355 63.487 63.100 0.053 0.000 0.768 635 P CB 1.047 32.761 31.700 0.024 0.000 0.842 636 I N 4.945 125.528 120.570 0.022 0.000 2.437 636 I HA 0.262 4.431 4.170 -0.000 0.000 0.279 636 I C -2.255 173.856 176.117 -0.010 0.000 1.028 636 I CA -2.795 58.507 61.300 0.003 0.000 1.142 636 I CB 1.608 39.597 38.000 -0.018 0.000 1.266 636 I HN 0.054 nan 8.210 nan 0.000 0.461 637 P HA -0.010 nan 4.420 nan 0.000 0.266 637 P C -0.080 177.211 177.300 -0.016 0.000 1.193 637 P CA -0.145 62.948 63.100 -0.013 0.000 0.770 637 P CB 0.562 32.258 31.700 -0.007 0.000 0.836 638 A N 3.310 126.121 122.820 -0.016 0.000 2.567 638 A HA -0.007 4.313 4.320 -0.000 0.000 0.240 638 A C 1.048 178.625 177.584 -0.011 0.000 1.053 638 A CA 0.383 52.412 52.037 -0.013 0.000 0.755 638 A CB -0.905 18.088 19.000 -0.011 0.000 0.978 638 A HN 0.763 nan 8.150 nan 0.000 0.507 639 N N -1.438 117.255 118.700 -0.011 0.000 2.936 639 N HA -0.200 4.540 4.740 -0.000 0.000 0.236 639 N C 0.328 175.831 175.510 -0.012 0.000 0.930 639 N CA 1.326 54.370 53.050 -0.009 0.000 0.966 639 N CB -1.870 36.615 38.487 -0.003 0.000 1.090 639 N HN 1.310 nan 8.380 nan 0.000 0.592 640 A N 0.427 123.238 122.820 -0.015 0.000 2.407 640 A HA 0.505 4.825 4.320 -0.000 0.000 0.248 640 A C 1.412 178.981 177.584 -0.025 0.000 1.082 640 A CA 1.002 53.030 52.037 -0.015 0.000 0.785 640 A CB 0.340 19.333 19.000 -0.011 0.000 1.020 640 A HN 0.424 nan 8.150 nan 0.000 0.489 641 T N -1.662 112.880 114.554 -0.020 0.000 2.975 641 T HA 0.216 4.566 4.350 -0.000 0.000 0.261 641 T C 0.199 174.889 174.700 -0.017 0.000 0.984 641 T CA -0.194 61.891 62.100 -0.026 0.000 0.911 641 T CB 0.005 68.862 68.868 -0.018 0.000 1.127 641 T HN 0.471 nan 8.240 nan 0.000 0.514 642 N N 1.473 120.169 118.700 -0.007 0.000 2.354 642 N HA 0.529 5.268 4.740 -0.000 0.000 0.287 642 N C -1.463 174.056 175.510 0.015 0.000 1.016 642 N CA -0.342 52.711 53.050 0.006 0.000 0.871 642 N CB 2.576 41.063 38.487 0.000 0.000 1.299 642 N HN 0.044 nan 8.380 nan 0.000 0.482 643 V N 3.624 123.562 119.914 0.040 0.000 2.235 643 V HA 0.309 4.428 4.120 -0.000 0.000 0.266 643 V C -2.175 173.947 176.094 0.045 0.000 1.055 643 V CA -1.522 60.800 62.300 0.037 0.000 0.844 643 V CB 0.880 32.717 31.823 0.024 0.000 1.097 643 V HN 0.470 nan 8.190 nan 0.000 0.453 644 P HA 0.439 nan 4.420 nan 0.000 0.280 644 P C -0.459 176.823 177.300 -0.030 0.000 1.244 644 P CA 0.032 63.132 63.100 0.001 0.000 0.784 644 P CB 1.715 33.416 31.700 0.000 0.000 0.913 645 I N -0.185 120.353 120.570 -0.053 0.000 2.934 645 I HA 0.757 4.927 4.170 -0.000 0.000 0.306 645 I C -0.914 175.197 176.117 -0.009 0.000 1.110 645 I CA -1.096 60.134 61.300 -0.118 0.000 1.019 645 I CB 2.752 40.447 38.000 -0.508 0.000 1.227 645 I HN 0.323 nan 8.210 nan 0.000 0.434 646 S N 4.685 120.418 115.700 0.055 0.000 2.571 646 S HA 0.718 5.188 4.470 -0.000 0.000 0.284 646 S C -1.061 173.626 174.600 0.145 0.000 1.128 646 S CA -0.611 57.641 58.200 0.086 0.000 0.970 646 S CB 1.541 64.781 63.200 0.066 0.000 1.039 646 S HN 0.553 nan 8.310 nan 0.000 0.485 647 I N 4.469 125.141 120.570 0.170 0.000 2.339 647 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 647 I C -2.149 174.036 176.117 0.113 0.000 0.994 647 I CA -2.178 59.213 61.300 0.151 0.000 1.191 647 I CB 1.636 39.776 38.000 0.234 0.000 1.343 647 I HN 0.501 nan 8.210 nan 0.000 0.458 648 P HA 0.034 nan 4.420 nan 0.000 0.271 648 P C -0.049 177.257 177.300 0.009 0.000 1.216 648 P CA -0.288 62.824 63.100 0.019 0.000 0.776 648 P CB 0.685 32.374 31.700 -0.019 0.000 0.881 649 S N 2.209 117.943 115.700 0.056 0.000 3.116 649 S HA -0.052 4.417 4.470 -0.000 0.000 0.367 649 S C 0.640 175.231 174.600 -0.015 0.000 1.202 649 S CA 0.453 58.703 58.200 0.082 0.000 1.018 649 S CB -0.602 62.631 63.200 0.055 0.000 0.726 649 S HN 0.674 nan 8.310 nan 0.000 0.506 650 R N 2.741 123.240 120.500 -0.001 0.000 3.014 650 R HA 0.429 4.768 4.340 -0.000 0.000 0.262 650 R C -1.236 174.913 176.300 -0.251 0.000 1.066 650 R CA -1.082 54.875 56.100 -0.238 0.000 0.939 650 R CB 0.420 30.395 30.300 -0.542 0.000 1.372 650 R HN 0.506 nan 8.270 nan 0.000 0.431 651 N N -0.715 117.750 118.700 -0.392 0.000 2.456 651 N HA 0.259 4.999 4.740 -0.000 0.000 0.288 651 N C -1.026 174.249 175.510 -0.391 0.000 1.059 651 N CA -0.645 52.272 53.050 -0.220 0.000 0.946 651 N CB 0.844 39.252 38.487 -0.131 0.000 1.150 651 N HN 0.570 nan 8.380 nan 0.000 0.479 652 W N 2.382 123.687 121.300 0.010 0.000 3.005 652 W HA 0.498 5.158 4.660 -0.000 0.000 0.374 652 W C 0.513 177.096 176.519 0.105 0.000 1.076 652 W CA -0.567 56.788 57.345 0.017 0.000 1.794 652 W CB -0.038 29.365 29.460 -0.095 0.000 1.113 652 W HN 0.545 nan 8.180 nan 0.000 0.584 653 A N 0.988 123.952 122.820 0.240 0.000 2.540 653 A HA 0.389 4.709 4.320 -0.000 0.000 0.239 653 A C 1.541 179.269 177.584 0.239 0.000 1.061 653 A CA 1.080 53.243 52.037 0.210 0.000 0.758 653 A CB -0.060 19.013 19.000 0.121 0.000 0.991 653 A HN 1.134 nan 8.150 nan 0.000 0.502 654 A N 1.280 124.256 122.820 0.261 0.000 3.172 654 A HA -0.208 4.112 4.320 -0.000 0.000 0.263 654 A C 0.369 178.188 177.584 0.391 0.000 1.215 654 A CA 1.042 53.271 52.037 0.321 0.000 1.065 654 A CB -2.592 16.560 19.000 0.252 0.000 1.148 654 A HN 1.992 nan 8.150 nan 0.000 0.904 655 F N 0.967 121.036 119.950 0.199 0.000 2.578 655 F HA 0.426 4.953 4.527 -0.001 0.000 0.376 655 F C 1.283 177.107 175.800 0.039 0.000 1.085 655 F CA 0.707 58.744 58.000 0.063 0.000 1.260 655 F CB 0.433 39.446 39.000 0.022 0.000 1.095 655 F HN 0.227 nan 8.300 nan 0.000 0.573 656 R N 3.042 123.030 120.500 -0.853 0.000 2.254 656 R HA 0.447 4.787 4.340 -0.000 0.000 0.193 656 R C 0.622 176.471 176.300 -0.752 0.000 0.929 656 R CA 0.205 55.950 56.100 -0.593 0.000 1.038 656 R CB 0.358 30.335 30.300 -0.538 0.000 1.009 656 R HN 0.915 nan 8.270 nan 0.000 0.512 657 G N -0.417 107.426 108.800 -1.595 0.000 2.340 657 G HA2 -0.002 3.957 3.960 -0.000 0.000 0.282 657 G HA3 -0.002 3.957 3.960 -0.000 0.000 0.282 657 G C -1.897 172.513 174.900 -0.816 0.000 1.312 657 G CA -0.976 43.500 45.100 -1.040 0.000 0.942 657 G HN 0.032 nan 8.290 nan 0.000 0.495 658 W N 0.381 121.626 121.300 -0.091 0.000 2.785 658 W HA 0.690 5.350 4.660 -0.001 0.000 0.333 658 W C -0.302 176.189 176.519 -0.046 0.000 1.062 658 W CA -0.636 56.686 57.345 -0.038 0.000 1.233 658 W CB 2.393 31.903 29.460 0.084 0.000 1.413 658 W HN 0.599 nan 8.180 nan 0.000 0.489 659 S N 2.036 117.787 115.700 0.085 0.000 2.600 659 S HA 0.847 5.317 4.470 -0.000 0.000 0.300 659 S C -1.084 173.504 174.600 -0.020 0.000 1.087 659 S CA -0.533 57.631 58.200 -0.061 0.000 0.965 659 S CB 1.993 65.049 63.200 -0.239 0.000 1.089 659 S HN 0.361 nan 8.310 nan 0.000 0.496 660 F N -1.298 118.513 119.950 -0.233 0.000 2.688 660 F HA 0.822 5.348 4.527 -0.001 0.000 0.308 660 F C -0.710 174.874 175.800 -0.359 0.000 1.117 660 F CA -0.559 57.268 58.000 -0.289 0.000 0.976 660 F CB 1.197 40.121 39.000 -0.126 0.000 1.291 660 F HN 0.600 nan 8.300 nan 0.000 0.439 661 T N 0.759 115.231 114.554 -0.137 0.000 2.665 661 T HA 0.565 4.915 4.350 -0.000 0.000 0.303 661 T C -2.083 172.839 174.700 0.369 0.000 1.334 661 T CA -0.864 61.196 62.100 -0.067 0.000 1.011 661 T CB 2.035 70.570 68.868 -0.554 0.000 1.573 661 T HN 1.030 nan 8.240 nan 0.000 0.492 662 R N 1.305 122.010 120.500 0.342 0.000 2.621 662 R HA 0.789 5.129 4.340 -0.000 0.000 0.292 662 R C -1.314 175.053 176.300 0.112 0.000 0.969 662 R CA -0.647 55.577 56.100 0.206 0.000 0.887 662 R CB 1.016 31.319 30.300 0.005 0.000 1.180 662 R HN 0.568 nan 8.270 nan 0.000 0.450 663 L N 2.271 123.559 121.223 0.109 0.000 2.301 663 L HA 0.580 4.920 4.340 -0.000 0.000 0.264 663 L C -0.368 176.519 176.870 0.029 0.000 1.016 663 L CA -1.188 53.707 54.840 0.092 0.000 0.821 663 L CB 2.022 44.173 42.059 0.153 0.000 1.346 663 L HN 0.437 nan 8.230 nan 0.000 0.429 664 K N -0.029 120.391 120.400 0.033 0.000 2.201 664 K HA 0.273 4.592 4.320 -0.000 0.000 0.278 664 K C 0.520 177.114 176.600 -0.009 0.000 1.027 664 K CA -0.401 55.892 56.287 0.009 0.000 0.909 664 K CB 1.718 34.230 32.500 0.020 0.000 1.062 664 K HN 0.564 nan 8.250 nan 0.000 0.465 665 T N 2.073 116.612 114.554 -0.024 0.000 2.720 665 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 665 T C 1.744 176.431 174.700 -0.021 0.000 1.037 665 T CA 1.583 63.663 62.100 -0.034 0.000 1.144 665 T CB -0.070 68.767 68.868 -0.051 0.000 0.864 665 T HN 0.648 nan 8.240 nan 0.000 0.444 666 K N 1.468 121.838 120.400 -0.050 0.000 2.160 666 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 666 K C 1.501 178.013 176.600 -0.146 0.000 1.047 666 K CA 1.573 57.814 56.287 -0.076 0.000 0.930 666 K CB -0.092 32.339 32.500 -0.116 0.000 0.720 666 K HN 0.408 nan 8.250 nan 0.000 0.450 667 E N 0.356 120.432 120.200 -0.207 0.000 2.437 667 E HA 0.041 4.390 4.350 -0.000 0.000 0.189 667 E C -0.666 176.067 176.600 0.222 0.000 1.054 667 E CA 0.047 56.283 56.400 -0.274 0.000 0.874 667 E CB 0.833 30.352 29.700 -0.301 0.000 1.011 667 E HN 0.113 nan 8.360 nan 0.000 0.474 668 T N 3.315 117.986 114.554 0.196 0.000 2.930 668 T HA 0.247 4.597 4.350 -0.000 0.000 0.313 668 T C -2.621 172.007 174.700 -0.119 0.000 1.019 668 T CA -1.553 60.562 62.100 0.024 0.000 1.004 668 T CB 1.681 70.505 68.868 -0.074 0.000 0.987 668 T HN -0.039 nan 8.240 nan 0.000 0.456 669 P HA 0.276 nan 4.420 nan 0.000 0.284 669 P C -0.061 177.045 177.300 -0.323 0.000 1.253 669 P CA -0.513 62.228 63.100 -0.598 0.000 0.800 669 P CB 0.766 31.737 31.700 -1.215 0.000 0.961 670 S N 3.094 118.679 115.700 -0.191 0.000 2.516 670 S HA 0.120 4.589 4.470 -0.000 0.000 0.282 670 S C 1.028 175.548 174.600 -0.134 0.000 1.286 670 S CA -0.454 57.660 58.200 -0.145 0.000 1.066 670 S CB -0.384 62.777 63.200 -0.065 0.000 0.884 670 S HN 0.358 nan 8.310 nan 0.000 0.491 671 L N 3.812 124.972 121.223 -0.106 0.000 2.592 671 L HA 0.219 4.559 4.340 -0.000 0.000 0.227 671 L C 2.446 179.326 176.870 0.015 0.000 1.127 671 L CA 0.359 55.187 54.840 -0.021 0.000 0.884 671 L CB -0.929 41.151 42.059 0.035 0.000 1.065 671 L HN 0.928 nan 8.230 nan 0.000 0.457 672 G N -0.363 108.428 108.800 -0.016 0.000 2.564 672 G HA2 -0.097 3.862 3.960 -0.000 0.000 0.216 672 G HA3 -0.097 3.862 3.960 -0.000 0.000 0.216 672 G C 0.648 175.549 174.900 0.002 0.000 1.124 672 G CA 0.491 45.588 45.100 -0.006 0.000 0.764 672 G HN 0.323 nan 8.290 nan 0.000 0.550 673 S N -2.862 112.846 115.700 0.013 0.000 2.720 673 S HA 0.538 5.008 4.470 -0.000 0.000 0.287 673 S C 1.383 176.020 174.600 0.061 0.000 1.168 673 S CA -0.052 58.158 58.200 0.016 0.000 0.832 673 S CB 1.211 64.416 63.200 0.008 0.000 1.166 673 S HN 0.132 nan 8.310 nan 0.000 0.493 674 G N -0.079 108.750 108.800 0.049 0.000 2.462 674 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 674 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 674 G C -0.119 174.939 174.900 0.263 0.000 1.121 674 G CA 1.251 46.425 45.100 0.124 0.000 0.758 674 G HN 0.395 nan 8.290 nan 0.000 0.559 675 F N -0.703 119.179 119.950 -0.113 0.000 2.650 675 F HA 0.474 5.001 4.527 -0.000 0.000 0.310 675 F C -2.239 173.464 175.800 -0.162 0.000 1.112 675 F CA -1.958 55.898 58.000 -0.241 0.000 0.986 675 F CB 2.302 40.820 39.000 -0.804 0.000 1.285 675 F HN -0.124 nan 8.300 nan 0.000 0.440 676 D N 6.690 126.650 120.400 -0.733 0.000 2.438 676 D HA 0.427 5.067 4.640 -0.000 0.000 0.257 676 D C -1.903 174.039 176.300 -0.596 0.000 1.148 676 D CA -2.413 51.311 54.000 -0.460 0.000 0.902 676 D CB 1.651 42.306 40.800 -0.241 0.000 1.062 676 D HN 0.181 nan 8.370 nan 0.000 0.518 677 P HA -0.172 nan 4.420 nan 0.000 0.222 677 P C 0.760 177.932 177.300 -0.213 0.000 1.142 677 P CA 1.047 63.963 63.100 -0.307 0.000 0.788 677 P CB 0.013 31.549 31.700 -0.273 0.000 0.767 678 Y N -2.675 117.600 120.300 -0.040 0.000 2.511 678 Y HA 0.132 4.682 4.550 -0.000 0.000 0.279 678 Y C 1.193 177.134 175.900 0.069 0.000 1.157 678 Y CA -0.643 57.464 58.100 0.012 0.000 1.300 678 Y CB -0.240 38.227 38.460 0.012 0.000 1.052 678 Y HN -0.195 nan 8.280 nan 0.000 0.529 679 F N 1.919 121.871 119.950 0.003 0.000 2.619 679 F HA 0.226 4.753 4.527 -0.001 0.000 0.350 679 F C 0.643 176.468 175.800 0.042 0.000 1.259 679 F CA -1.549 56.458 58.000 0.012 0.000 1.204 679 F CB 0.025 38.994 39.000 -0.052 0.000 1.556 679 F HN -0.124 nan 8.300 nan 0.000 0.650 680 V N 3.592 123.418 119.914 -0.148 0.000 2.908 680 V HA 0.354 4.474 4.120 -0.000 0.000 0.369 680 V C -1.004 175.002 176.094 -0.146 0.000 1.259 680 V CA -0.542 61.687 62.300 -0.118 0.000 1.406 680 V CB -1.293 30.523 31.823 -0.011 0.000 1.475 680 V HN 0.544 nan 8.190 nan 0.000 0.587 681 Y N 0.653 120.590 120.300 -0.606 0.000 2.552 681 Y HA 0.654 5.204 4.550 -0.000 0.000 0.337 681 Y C 0.148 175.712 175.900 -0.560 0.000 1.094 681 Y CA 0.054 57.869 58.100 -0.476 0.000 1.028 681 Y CB 2.308 40.524 38.460 -0.406 0.000 1.321 681 Y HN 0.159 nan 8.280 nan 0.000 0.456 682 S N 1.741 116.928 115.700 -0.855 0.000 3.021 682 S HA 0.459 4.928 4.470 -0.000 0.000 0.252 682 S C 0.374 174.619 174.600 -0.592 0.000 0.996 682 S CA -0.086 57.787 58.200 -0.546 0.000 1.084 682 S CB 0.043 63.091 63.200 -0.252 0.000 1.021 682 S HN 1.052 nan 8.310 nan 0.000 0.566 683 G N 2.217 110.256 108.800 -1.268 0.000 2.485 683 G HA2 0.468 4.427 3.960 -0.000 0.000 0.260 683 G HA3 0.468 4.427 3.960 -0.000 0.000 0.260 683 G C 0.176 175.030 174.900 -0.076 0.000 1.459 683 G CA -0.055 44.732 45.100 -0.521 0.000 1.060 683 G HN 0.749 nan 8.290 nan 0.000 0.546 684 S N -1.485 114.331 115.700 0.193 0.000 2.585 684 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 684 S C -0.097 174.721 174.600 0.363 0.000 1.339 684 S CA -0.429 57.901 58.200 0.216 0.000 1.028 684 S CB 0.828 64.125 63.200 0.161 0.000 0.906 684 S HN 0.362 nan 8.310 nan 0.000 0.528 685 I N 3.463 124.189 120.570 0.260 0.000 2.621 685 I HA 0.287 4.457 4.170 -0.000 0.000 0.276 685 I C -1.998 174.214 176.117 0.160 0.000 1.118 685 I CA -2.230 59.250 61.300 0.301 0.000 1.159 685 I CB 1.727 39.895 38.000 0.281 0.000 1.357 685 I HN 0.497 nan 8.210 nan 0.000 0.513 686 P HA -0.249 nan 4.420 nan 0.000 0.217 686 P C 1.542 178.824 177.300 -0.030 0.000 1.148 686 P CA 1.391 64.442 63.100 -0.082 0.000 0.828 686 P CB 0.049 31.811 31.700 0.104 0.000 0.783 687 Y N -0.200 120.159 120.300 0.098 0.000 2.151 687 Y HA -0.238 4.311 4.550 -0.001 0.000 0.284 687 Y C 1.762 177.700 175.900 0.063 0.000 1.166 687 Y CA 1.474 59.629 58.100 0.091 0.000 1.163 687 Y CB -0.579 37.819 38.460 -0.102 0.000 0.974 687 Y HN -0.167 nan 8.280 nan 0.000 0.511 688 L N -0.053 121.183 121.223 0.020 0.000 2.221 688 L HA 0.008 4.348 4.340 -0.000 0.000 0.202 688 L C 1.664 178.478 176.870 -0.094 0.000 1.074 688 L CA 1.955 56.767 54.840 -0.048 0.000 0.795 688 L CB -0.784 41.321 42.059 0.077 0.000 0.960 688 L HN 0.488 nan 8.230 nan 0.000 0.458 689 D N -2.434 117.891 120.400 -0.125 0.000 2.407 689 D HA 0.208 4.848 4.640 -0.000 0.000 0.208 689 D C 1.469 177.581 176.300 -0.313 0.000 1.083 689 D CA 0.756 54.663 54.000 -0.155 0.000 0.844 689 D CB 0.211 40.958 40.800 -0.090 0.000 0.967 689 D HN 0.201 nan 8.370 nan 0.000 0.506 690 G N 0.441 108.898 108.800 -0.571 0.000 2.141 690 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.242 690 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.242 690 G C 0.681 175.025 174.900 -0.926 0.000 0.982 690 G CA 0.499 45.036 45.100 -0.939 0.000 0.662 690 G HN 0.683 nan 8.290 nan 0.000 0.527 691 T N -0.252 113.835 114.554 -0.777 0.000 3.607 691 T HA 0.572 4.922 4.350 -0.000 0.000 0.225 691 T C 0.612 175.218 174.700 -0.157 0.000 0.904 691 T CA -0.555 61.093 62.100 -0.753 0.000 0.962 691 T CB -0.731 67.500 68.868 -1.061 0.000 1.221 691 T HN 0.302 nan 8.240 nan 0.000 0.641 692 F N 2.220 122.293 119.950 0.205 0.000 2.506 692 F HA 0.332 4.859 4.527 -0.000 0.000 0.351 692 F C 1.093 177.165 175.800 0.453 0.000 1.136 692 F CA -0.777 57.374 58.000 0.251 0.000 1.298 692 F CB 0.452 39.509 39.000 0.095 0.000 1.145 692 F HN 0.507 nan 8.300 nan 0.000 0.593 693 Y N -0.854 119.727 120.300 0.468 0.000 3.024 693 Y HA 0.424 4.974 4.550 -0.000 0.000 0.283 693 Y C -0.341 175.765 175.900 0.343 0.000 1.040 693 Y CA -0.412 57.929 58.100 0.401 0.000 1.283 693 Y CB -0.833 37.860 38.460 0.388 0.000 1.367 693 Y HN 0.414 nan 8.280 nan 0.000 0.589 694 L N 0.939 122.087 121.223 -0.124 0.000 3.014 694 L HA 0.314 4.654 4.340 -0.000 0.000 0.263 694 L C 0.969 177.738 176.870 -0.167 0.000 1.207 694 L CA -0.044 54.647 54.840 -0.248 0.000 1.017 694 L CB 0.097 41.958 42.059 -0.329 0.000 1.360 694 L HN 0.223 nan 8.230 nan 0.000 0.560 695 N N 0.438 119.178 118.700 0.067 0.000 2.309 695 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 695 N C 1.731 177.635 175.510 0.657 0.000 1.018 695 N CA 1.102 54.310 53.050 0.262 0.000 0.876 695 N CB -0.126 38.167 38.487 -0.322 0.000 0.972 695 N HN 0.565 nan 8.380 nan 0.000 0.434 696 H N -0.121 119.191 119.070 0.404 0.000 2.561 696 H HA 0.042 4.598 4.556 -0.001 0.000 0.278 696 H C 1.124 176.516 175.328 0.107 0.000 1.014 696 H CA 1.376 57.496 56.048 0.119 0.000 1.211 696 H CB -0.605 28.991 29.762 -0.277 0.000 1.365 696 H HN 0.163 nan 8.280 nan 0.000 0.594 697 T N -2.505 111.895 114.554 -0.258 0.000 3.129 697 T HA 0.109 4.458 4.350 -0.000 0.000 0.251 697 T C 0.276 174.891 174.700 -0.142 0.000 1.117 697 T CA -0.538 61.428 62.100 -0.224 0.000 1.034 697 T CB -0.665 67.985 68.868 -0.364 0.000 0.968 697 T HN 0.040 nan 8.240 nan 0.000 0.526 698 F N 1.774 121.803 119.950 0.132 0.000 2.412 698 F HA 0.500 5.027 4.527 -0.001 0.000 0.348 698 F C 1.517 177.319 175.800 0.002 0.000 1.102 698 F CA -0.666 57.409 58.000 0.125 0.000 1.196 698 F CB 1.486 40.642 39.000 0.261 0.000 1.144 698 F HN -0.109 nan 8.300 nan 0.000 0.541 699 K N 1.809 122.273 120.400 0.107 0.000 2.225 699 K HA 0.165 4.485 4.320 -0.000 0.000 0.204 699 K C -0.178 176.373 176.600 -0.081 0.000 1.047 699 K CA 0.318 56.611 56.287 0.010 0.000 0.970 699 K CB 0.453 32.956 32.500 0.004 0.000 0.939 699 K HN 0.553 nan 8.250 nan 0.000 0.472 700 K N -0.269 120.087 120.400 -0.074 0.000 2.578 700 K HA 0.481 4.800 4.320 -0.000 0.000 0.287 700 K C -1.445 175.034 176.600 -0.201 0.000 1.010 700 K CA -0.937 55.255 56.287 -0.158 0.000 0.889 700 K CB 2.181 34.614 32.500 -0.112 0.000 1.514 700 K HN -0.181 nan 8.250 nan 0.000 0.424 701 V N 0.100 119.840 119.914 -0.289 0.000 2.851 701 V HA 0.461 4.580 4.120 -0.000 0.000 0.307 701 V C -1.078 174.820 176.094 -0.326 0.000 1.129 701 V CA -0.822 61.142 62.300 -0.559 0.000 0.932 701 V CB 1.839 33.040 31.823 -1.037 0.000 1.024 701 V HN 0.845 nan 8.190 nan 0.000 0.426 702 S N 3.666 119.131 115.700 -0.391 0.000 2.482 702 S HA 0.869 5.339 4.470 -0.000 0.000 0.303 702 S C -0.918 173.511 174.600 -0.285 0.000 1.091 702 S CA -0.453 57.612 58.200 -0.226 0.000 1.057 702 S CB 0.920 64.006 63.200 -0.189 0.000 1.031 702 S HN 0.568 nan 8.310 nan 0.000 0.485 703 I N 3.169 123.643 120.570 -0.161 0.000 2.534 703 I HA 0.386 4.556 4.170 -0.000 0.000 0.288 703 I C -0.966 175.090 176.117 -0.102 0.000 1.077 703 I CA -0.398 60.769 61.300 -0.222 0.000 1.051 703 I CB 2.542 40.418 38.000 -0.208 0.000 1.234 703 I HN 0.471 nan 8.210 nan 0.000 0.425 704 T N 5.148 119.564 114.554 -0.230 0.000 2.991 704 T HA 0.549 4.899 4.350 -0.000 0.000 0.303 704 T C -0.677 173.877 174.700 -0.244 0.000 1.015 704 T CA -0.519 61.507 62.100 -0.123 0.000 1.007 704 T CB 1.159 69.990 68.868 -0.062 0.000 1.034 704 T HN 0.092 nan 8.240 nan 0.000 0.446 705 F N 1.028 120.949 119.950 -0.049 0.000 2.411 705 F HA 0.491 5.018 4.527 -0.001 0.000 0.324 705 F C 1.521 177.290 175.800 -0.052 0.000 1.086 705 F CA 0.215 58.142 58.000 -0.122 0.000 1.028 705 F CB 0.409 39.253 39.000 -0.260 0.000 1.284 705 F HN 0.890 nan 8.300 nan 0.000 0.501 706 D N 0.528 121.067 120.400 0.231 0.000 2.745 706 D HA 0.027 4.667 4.640 -0.000 0.000 0.225 706 D C 1.019 177.393 176.300 0.124 0.000 1.212 706 D CA 1.523 55.651 54.000 0.213 0.000 0.632 706 D CB -1.917 39.048 40.800 0.274 0.000 0.994 706 D HN 1.569 nan 8.370 nan 0.000 0.407 707 S N -2.068 113.686 115.700 0.090 0.000 1.706 707 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 707 S C 2.261 176.885 174.600 0.040 0.000 0.861 707 S CA 3.470 61.702 58.200 0.052 0.000 1.488 707 S CB -2.263 60.968 63.200 0.053 0.000 1.943 707 S HN 2.447 nan 8.310 nan 0.000 0.533 708 S N -0.037 115.698 115.700 0.059 0.000 2.502 708 S HA 0.514 4.984 4.470 -0.000 0.000 0.228 708 S C 0.623 175.260 174.600 0.062 0.000 1.061 708 S CA 0.839 59.068 58.200 0.049 0.000 0.935 708 S CB -0.091 63.137 63.200 0.047 0.000 0.809 708 S HN 1.337 nan 8.310 nan 0.000 0.510 709 V N 3.514 123.485 119.914 0.096 0.000 2.403 709 V HA 0.302 4.422 4.120 -0.000 0.000 0.265 709 V C 0.592 176.800 176.094 0.190 0.000 1.034 709 V CA -0.210 62.170 62.300 0.132 0.000 1.036 709 V CB 0.172 32.080 31.823 0.141 0.000 1.032 709 V HN 0.499 nan 8.190 nan 0.000 0.478 710 S N 5.301 121.082 115.700 0.135 0.000 2.548 710 S HA 0.372 4.842 4.470 -0.000 0.000 0.277 710 S C -0.837 173.909 174.600 0.243 0.000 1.315 710 S CA -0.449 57.831 58.200 0.133 0.000 1.050 710 S CB 0.240 63.461 63.200 0.034 0.000 0.918 710 S HN 0.677 nan 8.310 nan 0.000 0.497 711 W N 6.691 128.064 121.300 0.121 0.000 2.785 711 W HA 0.501 5.161 4.660 -0.000 0.000 0.333 711 W C -2.032 174.608 176.519 0.201 0.000 1.062 711 W CA -2.099 55.388 57.345 0.237 0.000 1.233 711 W CB 1.787 31.566 29.460 0.532 0.000 1.413 711 W HN 0.508 nan 8.180 nan 0.000 0.489 712 P HA 0.115 nan 4.420 nan 0.000 0.241 712 P C 0.951 177.877 177.300 -0.623 0.000 1.191 712 P CA 1.304 63.477 63.100 -1.545 0.000 0.771 712 P CB 0.374 31.248 31.700 -1.378 0.000 0.929 713 G N 1.841 110.437 108.800 -0.340 0.000 2.581 713 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.291 713 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.291 713 G C 0.382 175.161 174.900 -0.202 0.000 1.277 713 G CA 0.395 45.383 45.100 -0.187 0.000 0.959 713 G HN 0.335 nan 8.290 nan 0.000 0.554 714 N N -0.112 118.509 118.700 -0.132 0.000 2.708 714 N HA -0.190 4.549 4.740 -0.000 0.000 0.251 714 N C 0.692 176.134 175.510 -0.114 0.000 1.123 714 N CA 2.379 55.358 53.050 -0.118 0.000 0.739 714 N CB -0.888 37.516 38.487 -0.138 0.000 1.113 714 N HN 1.361 nan 8.380 nan 0.000 0.561 715 D N -1.685 118.649 120.400 -0.110 0.000 2.955 715 D HA -0.236 4.403 4.640 -0.000 0.000 0.226 715 D C 1.319 177.556 176.300 -0.105 0.000 1.178 715 D CA 1.304 55.247 54.000 -0.095 0.000 0.808 715 D CB -0.098 40.662 40.800 -0.067 0.000 1.099 715 D HN 0.362 nan 8.370 nan 0.000 0.421 716 R N -0.403 120.014 120.500 -0.139 0.000 2.070 716 R HA 0.027 4.367 4.340 -0.000 0.000 0.233 716 R C 1.189 177.435 176.300 -0.090 0.000 1.137 716 R CA 0.878 56.907 56.100 -0.119 0.000 0.945 716 R CB -0.434 29.767 30.300 -0.165 0.000 0.845 716 R HN 0.350 nan 8.270 nan 0.000 0.430 717 L N 0.788 121.927 121.223 -0.139 0.000 2.399 717 L HA 0.188 4.528 4.340 -0.000 0.000 0.265 717 L C 1.951 178.729 176.870 -0.154 0.000 1.089 717 L CA -0.480 54.274 54.840 -0.143 0.000 0.802 717 L CB 0.635 42.557 42.059 -0.228 0.000 1.180 717 L HN -0.032 nan 8.230 nan 0.000 0.454 718 L N 0.483 121.586 121.223 -0.200 0.000 2.127 718 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 718 L C 1.021 177.763 176.870 -0.212 0.000 1.089 718 L CA 1.218 55.874 54.840 -0.306 0.000 0.757 718 L CB -0.447 41.209 42.059 -0.671 0.000 0.899 718 L HN 0.782 nan 8.230 nan 0.000 0.434 719 T N -3.921 110.539 114.554 -0.157 0.000 3.154 719 T HA 0.288 4.638 4.350 -0.000 0.000 0.381 719 T C -1.721 172.906 174.700 -0.121 0.000 1.368 719 T CA -1.867 60.191 62.100 -0.069 0.000 1.155 719 T CB 1.059 69.917 68.868 -0.017 0.000 1.120 719 T HN -0.065 nan 8.240 nan 0.000 0.570 720 P HA -0.070 nan 4.420 nan 0.000 0.223 720 P C 0.665 177.853 177.300 -0.186 0.000 1.151 720 P CA 0.911 63.917 63.100 -0.156 0.000 0.787 720 P CB 0.079 31.712 31.700 -0.113 0.000 0.788 721 N N -0.011 118.603 118.700 -0.142 0.000 2.270 721 N HA 0.008 4.748 4.740 -0.000 0.000 0.198 721 N C 0.216 175.639 175.510 -0.144 0.000 1.117 721 N CA -0.159 52.813 53.050 -0.130 0.000 0.845 721 N CB -0.249 38.190 38.487 -0.080 0.000 0.980 721 N HN 0.379 nan 8.380 nan 0.000 0.486 722 E N -1.117 118.968 120.200 -0.191 0.000 2.430 722 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 722 E C -1.548 174.900 176.600 -0.253 0.000 1.003 722 E CA -0.954 55.346 56.400 -0.168 0.000 0.801 722 E CB 0.470 30.106 29.700 -0.107 0.000 1.313 722 E HN -0.139 nan 8.360 nan 0.000 0.459 723 F N 1.213 121.089 119.950 -0.123 0.000 2.413 723 F HA 0.228 4.755 4.527 -0.000 0.000 0.359 723 F C 0.628 176.313 175.800 -0.192 0.000 1.122 723 F CA -0.233 57.717 58.000 -0.085 0.000 1.160 723 F CB 1.017 40.019 39.000 0.003 0.000 1.146 723 F HN 0.440 nan 8.300 nan 0.000 0.514 724 E N 3.961 124.151 120.200 -0.017 0.000 2.152 724 E HA 0.242 4.592 4.350 -0.000 0.000 0.285 724 E C 0.762 177.235 176.600 -0.211 0.000 1.043 724 E CA -0.128 56.215 56.400 -0.095 0.000 0.839 724 E CB 0.664 30.347 29.700 -0.028 0.000 1.069 724 E HN 0.671 nan 8.360 nan 0.000 0.399 725 I N 4.325 124.611 120.570 -0.473 0.000 2.333 725 I HA -0.090 4.080 4.170 -0.000 0.000 0.246 725 I C 0.650 176.603 176.117 -0.273 0.000 1.106 725 I CA 0.842 61.629 61.300 -0.856 0.000 1.411 725 I CB -0.107 37.177 38.000 -1.193 0.000 1.082 725 I HN 0.412 nan 8.210 nan 0.000 0.420 726 K N 1.052 121.417 120.400 -0.058 0.000 2.551 726 K HA 0.657 4.977 4.320 -0.000 0.000 0.269 726 K C -1.196 175.458 176.600 0.090 0.000 0.949 726 K CA -0.945 55.416 56.287 0.123 0.000 0.849 726 K CB 1.817 34.492 32.500 0.292 0.000 1.411 726 K HN -0.088 nan 8.250 nan 0.000 0.432 727 R N 0.587 121.158 120.500 0.117 0.000 2.561 727 R HA 0.313 4.653 4.340 -0.000 0.000 0.297 727 R C 0.397 176.754 176.300 0.095 0.000 0.969 727 R CA -0.800 55.354 56.100 0.089 0.000 0.879 727 R CB 1.652 32.004 30.300 0.086 0.000 1.178 727 R HN 0.903 nan 8.270 nan 0.000 0.445 728 T N -1.637 112.961 114.554 0.073 0.000 2.852 728 T HA 0.049 4.399 4.350 -0.000 0.000 0.256 728 T C 1.298 176.028 174.700 0.050 0.000 1.038 728 T CA 0.768 62.908 62.100 0.067 0.000 1.141 728 T CB -0.170 68.733 68.868 0.057 0.000 0.869 728 T HN 0.489 nan 8.240 nan 0.000 0.439 729 V N 1.746 121.682 119.914 0.036 0.000 2.385 729 V HA 0.642 4.762 4.120 -0.000 0.000 0.269 729 V C -0.196 175.907 176.094 0.015 0.000 1.043 729 V CA -0.617 61.695 62.300 0.020 0.000 0.906 729 V CB 0.623 32.452 31.823 0.010 0.000 0.995 729 V HN 0.377 nan 8.190 nan 0.000 0.467 730 D N 3.202 123.604 120.400 0.003 0.000 2.849 730 D HA 0.372 5.012 4.640 -0.000 0.000 0.314 730 D C 1.276 177.544 176.300 -0.054 0.000 1.210 730 D CA 0.450 54.442 54.000 -0.014 0.000 0.756 730 D CB 0.606 41.425 40.800 0.032 0.000 1.222 730 D HN 0.539 nan 8.370 nan 0.000 0.521 731 G N 0.495 109.248 108.800 -0.078 0.000 2.442 731 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.219 731 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.219 731 G C 1.243 176.058 174.900 -0.142 0.000 1.141 731 G CA 0.683 45.728 45.100 -0.090 0.000 0.763 731 G HN 0.366 nan 8.290 nan 0.000 0.554 732 E N -0.516 119.523 120.200 -0.268 0.000 2.358 732 E HA 0.289 4.639 4.350 -0.000 0.000 0.195 732 E C 1.717 178.162 176.600 -0.259 0.000 1.010 732 E CA 0.513 56.680 56.400 -0.388 0.000 0.856 732 E CB -0.046 29.105 29.700 -0.914 0.000 0.795 732 E HN 0.405 nan 8.360 nan 0.000 0.504 733 G N 0.357 109.066 108.800 -0.152 0.000 2.212 733 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.255 733 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.255 733 G C 0.233 175.199 174.900 0.111 0.000 1.062 733 G CA 0.185 45.280 45.100 -0.009 0.000 0.815 733 G HN 0.189 nan 8.290 nan 0.000 0.497 734 Y N 0.268 120.587 120.300 0.031 0.000 2.509 734 Y HA 0.056 4.606 4.550 -0.001 0.000 0.293 734 Y C 1.869 177.793 175.900 0.040 0.000 1.133 734 Y CA 0.130 58.251 58.100 0.035 0.000 1.283 734 Y CB -0.262 38.217 38.460 0.032 0.000 1.001 734 Y HN 0.345 nan 8.280 nan 0.000 0.555 735 N N -0.308 118.506 118.700 0.189 0.000 2.326 735 N HA 0.230 4.969 4.740 -0.000 0.000 0.239 735 N C -0.410 175.148 175.510 0.079 0.000 1.301 735 N CA 0.076 53.205 53.050 0.131 0.000 0.909 735 N CB 1.224 39.786 38.487 0.126 0.000 1.156 735 N HN -0.080 nan 8.380 nan 0.000 0.462 736 V N -0.935 119.000 119.914 0.035 0.000 3.188 736 V HA 0.548 4.668 4.120 -0.000 0.000 0.305 736 V C -0.577 175.464 176.094 -0.089 0.000 1.232 736 V CA 0.012 62.270 62.300 -0.070 0.000 1.043 736 V CB 1.512 33.214 31.823 -0.202 0.000 1.068 736 V HN 0.848 nan 8.190 nan 0.000 0.439 737 A N 3.114 125.843 122.820 -0.153 0.000 2.826 737 A HA -0.239 4.081 4.320 -0.000 0.000 0.274 737 A C 0.703 178.294 177.584 0.011 0.000 1.443 737 A CA 1.840 53.810 52.037 -0.111 0.000 0.833 737 A CB -2.313 16.579 19.000 -0.180 0.000 1.023 737 A HN 1.661 nan 8.150 nan 0.000 0.600 738 Q N -4.207 115.608 119.800 0.026 0.000 2.493 738 Q HA -0.261 4.078 4.340 -0.000 0.000 0.278 738 Q C 0.347 176.403 176.000 0.093 0.000 1.216 738 Q CA 1.189 57.023 55.803 0.051 0.000 0.875 738 Q CB -2.615 26.142 28.738 0.032 0.000 1.262 738 Q HN 2.162 nan 8.270 nan 0.000 0.468 739 C N -2.816 116.569 119.300 0.142 0.000 3.275 739 C HA 0.606 5.066 4.460 -0.000 0.000 0.373 739 C C 1.169 176.309 174.990 0.249 0.000 1.934 739 C CA -0.219 58.935 59.018 0.226 0.000 1.228 739 C CB 0.818 28.749 27.740 0.319 0.000 2.317 739 C HN 0.468 nan 8.230 nan 0.000 0.437 740 N N 0.494 119.400 118.700 0.344 0.000 2.322 740 N HA 0.074 4.814 4.740 -0.000 0.000 0.194 740 N C 0.236 175.944 175.510 0.330 0.000 1.126 740 N CA -0.085 53.143 53.050 0.298 0.000 0.845 740 N CB -0.322 38.324 38.487 0.264 0.000 0.976 740 N HN 0.899 nan 8.380 nan 0.000 0.475 741 M N 1.882 121.694 119.600 0.353 0.000 2.245 741 M HA 0.047 4.527 4.480 -0.000 0.000 0.344 741 M C 0.012 176.395 176.300 0.140 0.000 1.170 741 M CA -0.079 55.337 55.300 0.193 0.000 1.135 741 M CB 0.686 33.268 32.600 -0.030 0.000 1.574 741 M HN 0.257 nan 8.290 nan 0.000 0.452 742 T N 1.623 116.254 114.554 0.129 0.000 2.899 742 T HA 0.301 4.651 4.350 -0.000 0.000 0.284 742 T C 0.771 175.536 174.700 0.108 0.000 1.004 742 T CA -0.696 61.477 62.100 0.122 0.000 1.043 742 T CB 1.196 70.129 68.868 0.109 0.000 1.013 742 T HN 0.813 nan 8.240 nan 0.000 0.518 743 K N 0.680 121.127 120.400 0.077 0.000 2.032 743 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 743 K C 1.834 178.485 176.600 0.085 0.000 1.048 743 K CA 1.820 58.150 56.287 0.071 0.000 0.927 743 K CB -0.243 32.294 32.500 0.062 0.000 0.712 743 K HN 0.608 nan 8.250 nan 0.000 0.441 744 D N 0.093 120.512 120.400 0.032 0.000 2.127 744 D HA -0.239 4.401 4.640 -0.000 0.000 0.190 744 D C 1.422 177.751 176.300 0.047 0.000 1.000 744 D CA 0.981 54.992 54.000 0.018 0.000 0.839 744 D CB -0.341 40.456 40.800 -0.004 0.000 0.955 744 D HN 0.372 nan 8.370 nan 0.000 0.446 745 W N 0.191 121.407 121.300 -0.139 0.000 2.388 745 W HA -0.223 4.437 4.660 -0.001 0.000 0.294 745 W C 2.094 178.409 176.519 -0.341 0.000 1.212 745 W CA 0.416 57.612 57.345 -0.248 0.000 1.271 745 W CB -0.459 28.828 29.460 -0.288 0.000 1.126 745 W HN -0.052 nan 8.180 nan 0.000 0.535 746 F N 1.043 120.808 119.950 -0.308 0.000 2.171 746 F HA -0.253 4.274 4.527 -0.001 0.000 0.300 746 F C 2.281 177.802 175.800 -0.464 0.000 1.090 746 F CA 1.738 59.440 58.000 -0.497 0.000 1.293 746 F CB -0.905 37.836 39.000 -0.432 0.000 1.013 746 F HN -0.179 nan 8.300 nan 0.000 0.486 747 L N -0.083 121.048 121.223 -0.152 0.000 2.012 747 L HA -0.169 4.170 4.340 -0.000 0.000 0.210 747 L C 2.251 178.897 176.870 -0.373 0.000 1.073 747 L CA 1.737 56.546 54.840 -0.053 0.000 0.748 747 L CB -1.070 41.017 42.059 0.046 0.000 0.891 747 L HN 0.049 nan 8.230 nan 0.000 0.431 748 V N -0.532 119.037 119.914 -0.575 0.000 2.407 748 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 748 V C 2.630 178.222 176.094 -0.837 0.000 1.055 748 V CA 1.542 63.345 62.300 -0.828 0.000 1.049 748 V CB -0.636 30.580 31.823 -1.011 0.000 0.662 748 V HN 0.510 nan 8.190 nan 0.000 0.455 749 Q N -1.156 117.994 119.800 -1.084 0.000 2.096 749 Q HA 0.011 4.351 4.340 -0.000 0.000 0.197 749 Q C 2.246 177.785 176.000 -0.768 0.000 0.964 749 Q CA 1.164 56.291 55.803 -1.125 0.000 0.838 749 Q CB -0.366 27.226 28.738 -1.910 0.000 0.906 749 Q HN 0.461 nan 8.270 nan 0.000 0.444 750 M N 0.112 119.279 119.600 -0.721 0.000 2.132 750 M HA -0.080 4.399 4.480 -0.000 0.000 0.263 750 M C 2.290 178.491 176.300 -0.166 0.000 1.065 750 M CA 1.107 56.234 55.300 -0.289 0.000 1.122 750 M CB -0.920 31.518 32.600 -0.269 0.000 1.365 750 M HN 0.162 nan 8.290 nan 0.000 0.411 751 L N -0.122 120.958 121.223 -0.238 0.000 2.017 751 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 751 L C 2.776 179.555 176.870 -0.152 0.000 1.073 751 L CA 1.315 56.061 54.840 -0.158 0.000 0.745 751 L CB -0.944 41.043 42.059 -0.119 0.000 0.894 751 L HN 0.266 nan 8.230 nan 0.000 0.432 752 A N -1.181 121.495 122.820 -0.241 0.000 1.933 752 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 752 A C 2.088 179.435 177.584 -0.396 0.000 1.175 752 A CA 1.501 53.375 52.037 -0.272 0.000 0.628 752 A CB -0.659 18.135 19.000 -0.343 0.000 0.814 752 A HN 0.482 nan 8.150 nan 0.000 0.444 753 H N -3.520 115.230 119.070 -0.534 0.000 2.451 753 H HA 0.080 4.635 4.556 -0.001 0.000 0.294 753 H C 0.655 175.533 175.328 -0.749 0.000 1.028 753 H CA 1.484 57.062 56.048 -0.784 0.000 1.349 753 H CB 0.336 29.289 29.762 -1.348 0.000 1.444 753 H HN 0.659 nan 8.280 nan 0.000 0.538 754 Y N -0.862 119.449 120.300 0.019 0.000 2.563 754 Y HA 0.202 4.752 4.550 -0.001 0.000 0.250 754 Y C 0.394 176.266 175.900 -0.047 0.000 1.126 754 Y CA -0.679 57.403 58.100 -0.030 0.000 1.231 754 Y CB 0.319 38.736 38.460 -0.071 0.000 1.288 754 Y HN -0.054 nan 8.280 nan 0.000 0.537 755 N N 0.688 119.414 118.700 0.043 0.000 2.741 755 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 755 N C -0.756 174.765 175.510 0.019 0.000 1.112 755 N CA 0.807 53.880 53.050 0.038 0.000 0.750 755 N CB -1.450 37.075 38.487 0.065 0.000 1.119 755 N HN 0.412 nan 8.380 nan 0.000 0.561 756 I N -0.771 119.784 120.570 -0.024 0.000 2.359 756 I HA 0.525 4.694 4.170 -0.000 0.000 0.294 756 I C 1.392 177.386 176.117 -0.206 0.000 0.987 756 I CA 0.345 61.558 61.300 -0.145 0.000 1.225 756 I CB 1.622 39.449 38.000 -0.288 0.000 1.366 756 I HN 0.225 nan 8.210 nan 0.000 0.466 757 G N 3.979 112.570 108.800 -0.348 0.000 3.617 757 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 757 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 757 G C 0.343 174.851 174.900 -0.654 0.000 0.967 757 G CA -0.237 44.477 45.100 -0.644 0.000 0.878 757 G HN 0.474 nan 8.290 nan 0.000 0.439 758 Y N 1.228 121.413 120.300 -0.192 0.000 2.523 758 Y HA 0.394 4.943 4.550 -0.000 0.000 0.279 758 Y C 2.167 177.997 175.900 -0.117 0.000 1.139 758 Y CA 0.967 58.987 58.100 -0.134 0.000 1.296 758 Y CB 0.581 39.002 38.460 -0.064 0.000 1.045 758 Y HN 0.253 nan 8.280 nan 0.000 0.538 759 Q N -0.063 119.744 119.800 0.011 0.000 2.158 759 Q HA 0.425 4.765 4.340 -0.000 0.000 0.306 759 Q C -0.070 175.953 176.000 0.039 0.000 0.878 759 Q CA -0.103 55.725 55.803 0.043 0.000 1.136 759 Q CB 1.026 29.821 28.738 0.095 0.000 1.253 759 Q HN 0.374 nan 8.270 nan 0.000 0.441 760 G N 0.536 109.272 108.800 -0.107 0.000 2.675 760 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.686 760 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.686 760 G C -0.983 173.813 174.900 -0.174 0.000 1.215 760 G CA -1.049 44.010 45.100 -0.068 0.000 0.777 760 G HN 0.206 nan 8.290 nan 0.000 0.638 761 F N 1.308 121.320 119.950 0.103 0.000 2.404 761 F HA 0.756 5.283 4.527 -0.000 0.000 0.339 761 F C 0.830 176.674 175.800 0.073 0.000 1.105 761 F CA -0.099 57.910 58.000 0.016 0.000 1.087 761 F CB 1.586 40.707 39.000 0.201 0.000 1.143 761 F HN 0.742 nan 8.300 nan 0.000 0.491 762 Y N -0.645 119.772 120.300 0.194 0.000 2.689 762 Y HA 0.614 5.164 4.550 -0.001 0.000 0.333 762 Y C -1.490 174.292 175.900 -0.197 0.000 1.208 762 Y CA -2.011 56.100 58.100 0.018 0.000 1.055 762 Y CB 0.023 38.474 38.460 -0.014 0.000 1.304 762 Y HN 0.165 nan 8.280 nan 0.000 0.455 763 V N 3.965 123.807 119.914 -0.119 0.000 2.479 763 V HA 0.223 4.343 4.120 -0.000 0.000 0.281 763 V C -1.848 174.014 176.094 -0.387 0.000 1.031 763 V CA -1.158 60.797 62.300 -0.574 0.000 1.038 763 V CB -0.001 31.599 31.823 -0.371 0.000 0.981 763 V HN 0.618 nan 8.190 nan 0.000 0.478 764 P HA 0.130 nan 4.420 nan 0.000 0.272 764 P C -0.057 177.074 177.300 -0.282 0.000 1.230 764 P CA -0.447 62.353 63.100 -0.498 0.000 0.788 764 P CB 0.541 31.628 31.700 -1.021 0.000 0.949 765 E N 0.395 120.489 120.200 -0.176 0.000 2.608 765 E HA -0.039 4.311 4.350 -0.000 0.000 0.259 765 E C 1.679 178.182 176.600 -0.162 0.000 0.951 765 E CA 0.447 56.766 56.400 -0.134 0.000 0.945 765 E CB 0.096 29.697 29.700 -0.166 0.000 0.916 765 E HN 0.589 nan 8.360 nan 0.000 0.477 766 G N 3.236 112.017 108.800 -0.031 0.000 2.469 766 G HA2 -0.325 3.634 3.960 -0.000 0.000 0.219 766 G HA3 -0.325 3.634 3.960 -0.000 0.000 0.219 766 G C 1.266 176.191 174.900 0.041 0.000 1.150 766 G CA 1.311 46.421 45.100 0.016 0.000 0.763 766 G HN 0.787 nan 8.290 nan 0.000 0.561 767 Y N 0.489 120.803 120.300 0.024 0.000 2.571 767 Y HA 0.298 4.848 4.550 -0.000 0.000 0.294 767 Y C 2.133 178.074 175.900 0.069 0.000 1.141 767 Y CA 0.894 59.017 58.100 0.037 0.000 1.308 767 Y CB -0.026 38.449 38.460 0.025 0.000 1.002 767 Y HN 0.140 nan 8.280 nan 0.000 0.551 768 K N -0.109 119.983 120.400 -0.514 0.000 2.393 768 K HA 0.011 4.331 4.320 -0.000 0.000 0.193 768 K C -0.224 176.437 176.600 0.101 0.000 1.026 768 K CA 0.565 56.723 56.287 -0.216 0.000 1.064 768 K CB 0.260 32.615 32.500 -0.241 0.000 0.833 768 K HN 0.130 nan 8.250 nan 0.000 0.521 769 D N 1.560 122.002 120.400 0.071 0.000 2.483 769 D HA 0.134 4.774 4.640 -0.000 0.000 0.281 769 D C -0.375 176.010 176.300 0.142 0.000 1.174 769 D CA -0.290 53.826 54.000 0.193 0.000 0.938 769 D CB 0.251 41.075 40.800 0.040 0.000 1.002 769 D HN -0.034 nan 8.370 nan 0.000 0.501 770 R N 1.123 121.714 120.500 0.151 0.000 2.601 770 R HA 0.381 4.720 4.340 -0.000 0.000 0.220 770 R C 1.575 177.885 176.300 0.017 0.000 1.329 770 R CA -0.750 55.395 56.100 0.077 0.000 1.043 770 R CB 0.359 30.711 30.300 0.086 0.000 1.807 770 R HN 0.244 nan 8.270 nan 0.000 0.537 771 M N 0.046 119.574 119.600 -0.119 0.000 2.213 771 M HA -0.116 4.364 4.480 -0.000 0.000 0.263 771 M C 0.143 176.234 176.300 -0.349 0.000 1.062 771 M CA 1.867 56.973 55.300 -0.324 0.000 1.105 771 M CB 0.289 32.527 32.600 -0.604 0.000 1.385 771 M HN 0.472 nan 8.290 nan 0.000 0.417 772 Y N -0.329 120.026 120.300 0.091 0.000 2.681 772 Y HA 0.417 4.966 4.550 -0.001 0.000 0.267 772 Y C 0.404 176.391 175.900 0.146 0.000 1.166 772 Y CA -0.701 57.468 58.100 0.113 0.000 1.209 772 Y CB -0.152 38.378 38.460 0.116 0.000 1.161 772 Y HN 0.001 nan 8.280 nan 0.000 0.534 773 S N 0.052 115.886 115.700 0.224 0.000 2.672 773 S HA 0.132 4.602 4.470 -0.000 0.000 0.276 773 S C 0.862 175.504 174.600 0.070 0.000 1.207 773 S CA -0.685 57.648 58.200 0.221 0.000 1.002 773 S CB 0.806 64.194 63.200 0.314 0.000 0.998 773 S HN 0.378 nan 8.310 nan 0.000 0.542 774 F N 1.454 121.144 119.950 -0.433 0.000 2.051 774 F HA -0.070 4.457 4.527 -0.000 0.000 0.296 774 F C 1.783 177.600 175.800 0.029 0.000 1.122 774 F CA 1.487 59.279 58.000 -0.348 0.000 1.201 774 F CB -0.488 38.062 39.000 -0.749 0.000 0.978 774 F HN 0.658 nan 8.300 nan 0.000 0.472 775 F N 1.252 121.137 119.950 -0.108 0.000 2.134 775 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 775 F C 2.675 178.402 175.800 -0.121 0.000 1.097 775 F CA 1.991 59.861 58.000 -0.216 0.000 1.264 775 F CB -0.542 38.398 39.000 -0.101 0.000 1.001 775 F HN -0.045 nan 8.300 nan 0.000 0.479 776 R N 0.840 121.393 120.500 0.087 0.000 2.139 776 R HA -0.172 4.168 4.340 -0.000 0.000 0.243 776 R C 1.499 177.750 176.300 -0.082 0.000 1.145 776 R CA 2.146 58.265 56.100 0.031 0.000 0.976 776 R CB -0.668 29.675 30.300 0.071 0.000 0.866 776 R HN 0.296 nan 8.270 nan 0.000 0.449 777 N N -0.889 117.753 118.700 -0.097 0.000 2.254 777 N HA -0.042 4.698 4.740 -0.000 0.000 0.190 777 N C -0.653 174.825 175.510 -0.053 0.000 1.107 777 N CA -0.048 52.977 53.050 -0.042 0.000 0.869 777 N CB 0.187 38.702 38.487 0.048 0.000 0.983 777 N HN 0.076 nan 8.380 nan 0.000 0.487 778 F N 3.240 122.934 119.950 -0.427 0.000 2.506 778 F HA 0.135 4.662 4.527 -0.001 0.000 0.371 778 F C -0.039 175.614 175.800 -0.246 0.000 1.078 778 F CA -0.178 57.571 58.000 -0.418 0.000 1.195 778 F CB 0.453 38.936 39.000 -0.862 0.000 1.099 778 F HN -0.157 nan 8.300 nan 0.000 0.548 779 Q N 8.831 128.363 119.800 -0.447 0.000 2.771 779 Q HA 0.280 4.620 4.340 -0.000 0.000 0.247 779 Q C -2.663 173.111 176.000 -0.375 0.000 0.986 779 Q CA -1.884 53.673 55.803 -0.410 0.000 0.713 779 Q CB 1.536 30.180 28.738 -0.158 0.000 1.241 779 Q HN 0.433 nan 8.270 nan 0.000 0.488 780 P HA 0.327 nan 4.420 nan 0.000 0.275 780 P C -0.451 176.790 177.300 -0.098 0.000 1.228 780 P CA -0.213 62.730 63.100 -0.261 0.000 0.786 780 P CB 1.158 32.654 31.700 -0.339 0.000 0.927 781 M N 0.945 120.564 119.600 0.033 0.000 2.465 781 M HA 0.345 4.825 4.480 -0.000 0.000 0.284 781 M C -0.891 175.596 176.300 0.312 0.000 1.212 781 M CA -0.154 55.218 55.300 0.119 0.000 0.910 781 M CB 2.664 35.274 32.600 0.017 0.000 1.725 781 M HN 0.214 nan 8.290 nan 0.000 0.477 782 S N 0.991 116.915 115.700 0.374 0.000 2.588 782 S HA 0.871 5.341 4.470 -0.000 0.000 0.275 782 S C -1.432 173.237 174.600 0.115 0.000 1.130 782 S CA -1.016 57.372 58.200 0.313 0.000 0.855 782 S CB 2.618 65.898 63.200 0.133 0.000 1.116 782 S HN 0.772 nan 8.310 nan 0.000 0.472 783 R N 0.280 120.616 120.500 -0.274 0.000 2.752 783 R HA 0.736 5.076 4.340 -0.000 0.000 0.271 783 R C -1.920 174.176 176.300 -0.340 0.000 1.026 783 R CA -1.050 54.789 56.100 -0.436 0.000 0.901 783 R CB 0.711 30.406 30.300 -1.008 0.000 1.243 783 R HN 0.380 nan 8.270 nan 0.000 0.463 784 Q N 0.272 119.917 119.800 -0.258 0.000 2.248 784 Q HA 0.672 5.011 4.340 -0.000 0.000 0.263 784 Q C -0.740 175.132 176.000 -0.213 0.000 1.007 784 Q CA -0.685 54.999 55.803 -0.198 0.000 0.877 784 Q CB 2.535 31.194 28.738 -0.131 0.000 1.315 784 Q HN 0.596 nan 8.270 nan 0.000 0.454 785 V N -2.508 117.307 119.914 -0.165 0.000 3.206 785 V HA 0.650 4.770 4.120 -0.000 0.000 0.305 785 V C -0.684 175.349 176.094 -0.102 0.000 1.257 785 V CA -1.241 60.988 62.300 -0.119 0.000 1.057 785 V CB 1.528 33.290 31.823 -0.102 0.000 1.075 785 V HN 0.560 nan 8.190 nan 0.000 0.443 786 V N 1.456 121.331 119.914 -0.065 0.000 2.673 786 V HA 0.204 4.324 4.120 -0.000 0.000 0.303 786 V C 0.276 176.285 176.094 -0.142 0.000 1.046 786 V CA 0.513 62.738 62.300 -0.124 0.000 1.126 786 V CB 0.915 32.706 31.823 -0.053 0.000 0.934 786 V HN 1.134 nan 8.190 nan 0.000 0.487 787 D N 4.921 125.234 120.400 -0.146 0.000 2.383 787 D HA 0.083 4.722 4.640 -0.000 0.000 0.245 787 D C 1.113 177.292 176.300 -0.201 0.000 1.263 787 D CA 0.228 54.149 54.000 -0.131 0.000 0.936 787 D CB 0.816 41.572 40.800 -0.073 0.000 1.053 787 D HN 0.750 nan 8.370 nan 0.000 0.507 788 E N 1.794 121.766 120.200 -0.381 0.000 2.333 788 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 788 E C 1.627 178.015 176.600 -0.353 0.000 1.007 788 E CA 0.489 56.428 56.400 -0.768 0.000 0.845 788 E CB 0.564 29.763 29.700 -0.835 0.000 0.766 788 E HN 0.372 nan 8.360 nan 0.000 0.507 789 V N 0.632 120.443 119.914 -0.172 0.000 2.575 789 V HA -0.097 4.022 4.120 -0.000 0.000 0.242 789 V C 1.234 177.306 176.094 -0.037 0.000 1.045 789 V CA 1.477 63.730 62.300 -0.077 0.000 1.065 789 V CB -0.152 31.638 31.823 -0.055 0.000 0.717 789 V HN 0.199 nan 8.190 nan 0.000 0.467 790 N N -1.609 117.076 118.700 -0.025 0.000 2.250 790 N HA 0.075 4.814 4.740 -0.000 0.000 0.190 790 N C 0.175 175.718 175.510 0.055 0.000 1.116 790 N CA -0.216 52.838 53.050 0.005 0.000 0.881 790 N CB 0.365 38.852 38.487 0.000 0.000 1.006 790 N HN 0.466 nan 8.380 nan 0.000 0.491 791 Y N 3.015 123.266 120.300 -0.082 0.000 2.531 791 Y HA 0.077 4.627 4.550 -0.001 0.000 0.347 791 Y C 0.694 176.579 175.900 -0.025 0.000 1.024 791 Y CA -1.047 57.006 58.100 -0.078 0.000 1.306 791 Y CB 0.454 38.830 38.460 -0.140 0.000 1.149 791 Y HN -0.071 nan 8.280 nan 0.000 0.527 792 K N 1.572 121.771 120.400 -0.334 0.000 2.283 792 K HA -0.065 4.254 4.320 -0.000 0.000 0.202 792 K C 0.547 176.889 176.600 -0.431 0.000 1.048 792 K CA 1.335 57.449 56.287 -0.290 0.000 0.948 792 K CB -0.037 32.366 32.500 -0.162 0.000 0.742 792 K HN 0.499 nan 8.250 nan 0.000 0.458 793 D N -0.275 119.560 120.400 -0.942 0.000 2.340 793 D HA -0.036 4.604 4.640 -0.000 0.000 0.220 793 D C -0.461 175.584 176.300 -0.426 0.000 1.039 793 D CA -0.153 53.442 54.000 -0.676 0.000 0.866 793 D CB -0.377 40.070 40.800 -0.588 0.000 0.913 793 D HN 0.185 nan 8.370 nan 0.000 0.523 794 Y N 2.465 122.471 120.300 -0.491 0.000 2.881 794 Y HA -0.081 4.469 4.550 -0.000 0.000 0.335 794 Y C 0.091 176.047 175.900 0.093 0.000 1.263 794 Y CA 0.500 58.582 58.100 -0.030 0.000 1.572 794 Y CB 0.237 38.720 38.460 0.037 0.000 1.237 794 Y HN -0.147 nan 8.280 nan 0.000 0.568 795 Q N 5.318 124.745 119.800 -0.620 0.000 2.321 795 Q HA 0.502 4.842 4.340 -0.000 0.000 0.270 795 Q C -0.889 174.694 176.000 -0.695 0.000 1.032 795 Q CA -0.649 54.858 55.803 -0.493 0.000 0.784 795 Q CB 1.961 30.607 28.738 -0.153 0.000 1.264 795 Q HN 0.811 nan 8.270 nan 0.000 0.448 796 A N 3.103 125.673 122.820 -0.416 0.000 2.915 796 A HA 0.355 4.675 4.320 -0.000 0.000 0.292 796 A C 0.039 177.593 177.584 -0.050 0.000 1.632 796 A CA -0.307 51.657 52.037 -0.122 0.000 1.337 796 A CB -0.288 18.794 19.000 0.135 0.000 1.111 796 A HN 0.402 nan 8.150 nan 0.000 0.569 797 V N 3.829 123.704 119.914 -0.065 0.000 2.368 797 V HA 0.207 4.327 4.120 -0.000 0.000 0.266 797 V C 1.142 177.236 176.094 -0.001 0.000 1.045 797 V CA 0.053 62.334 62.300 -0.032 0.000 0.899 797 V CB 0.595 32.374 31.823 -0.073 0.000 1.006 797 V HN 0.929 nan 8.190 nan 0.000 0.470 798 T N 2.673 117.276 114.554 0.083 0.000 2.748 798 T HA 0.180 4.530 4.350 -0.000 0.000 0.304 798 T C 1.204 175.897 174.700 -0.012 0.000 1.041 798 T CA -0.363 61.771 62.100 0.056 0.000 1.033 798 T CB 0.738 69.672 68.868 0.110 0.000 0.995 798 T HN 0.334 nan 8.240 nan 0.000 0.536 799 L N 1.458 122.642 121.223 -0.066 0.000 2.013 799 L HA -0.005 4.335 4.340 -0.000 0.000 0.212 799 L C 2.816 179.611 176.870 -0.124 0.000 1.073 799 L CA 2.428 57.198 54.840 -0.116 0.000 0.753 799 L CB -1.410 40.601 42.059 -0.080 0.000 0.890 799 L HN 0.937 nan 8.230 nan 0.000 0.432 800 A N -1.770 120.941 122.820 -0.182 0.000 2.032 800 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 800 A C 1.749 179.174 177.584 -0.265 0.000 1.165 800 A CA 2.002 53.864 52.037 -0.292 0.000 0.645 800 A CB -0.921 17.780 19.000 -0.499 0.000 0.807 800 A HN 0.667 nan 8.150 nan 0.000 0.453 801 Y N -0.597 119.733 120.300 0.050 0.000 2.467 801 Y HA 0.200 4.750 4.550 -0.001 0.000 0.250 801 Y C 0.814 176.716 175.900 0.003 0.000 1.155 801 Y CA -0.459 57.670 58.100 0.047 0.000 1.249 801 Y CB 0.269 38.732 38.460 0.005 0.000 1.146 801 Y HN 0.328 nan 8.280 nan 0.000 0.524 802 Q N 1.158 120.986 119.800 0.047 0.000 2.327 802 Q HA 0.243 4.583 4.340 -0.000 0.000 0.254 802 Q C -0.819 175.228 176.000 0.078 0.000 0.952 802 Q CA -0.186 55.577 55.803 -0.066 0.000 0.884 802 Q CB 0.591 29.196 28.738 -0.221 0.000 1.224 802 Q HN 0.426 nan 8.270 nan 0.000 0.422 803 H N -0.413 118.713 119.070 0.094 0.000 2.856 803 H HA 0.618 5.174 4.556 -0.000 0.000 0.355 803 H C -1.347 174.055 175.328 0.124 0.000 1.079 803 H CA -1.020 55.099 56.048 0.118 0.000 1.240 803 H CB 1.258 31.080 29.762 0.099 0.000 1.701 803 H HN 0.427 nan 8.280 nan 0.000 0.527 804 N N 2.483 121.352 118.700 0.283 0.000 2.493 804 N HA 0.148 4.888 4.740 -0.000 0.000 0.279 804 N C -0.814 174.879 175.510 0.305 0.000 1.082 804 N CA -0.435 52.760 53.050 0.241 0.000 0.963 804 N CB 1.179 39.752 38.487 0.144 0.000 1.627 804 N HN 0.870 nan 8.380 nan 0.000 0.499 805 N N 0.169 119.060 118.700 0.319 0.000 2.782 805 N HA -0.170 4.570 4.740 -0.000 0.000 0.251 805 N C -0.615 175.076 175.510 0.302 0.000 1.101 805 N CA 1.238 54.538 53.050 0.417 0.000 0.764 805 N CB -1.642 37.053 38.487 0.345 0.000 1.122 805 N HN 0.757 nan 8.380 nan 0.000 0.561 806 S N -1.126 114.684 115.700 0.182 0.000 2.573 806 S HA 0.343 4.812 4.470 -0.000 0.000 0.297 806 S C 1.667 176.082 174.600 -0.309 0.000 1.280 806 S CA 0.832 59.023 58.200 -0.016 0.000 1.061 806 S CB 1.376 64.540 63.200 -0.058 0.000 0.812 806 S HN 1.112 nan 8.310 nan 0.000 0.500 807 G N 1.915 110.480 108.800 -0.392 0.000 2.268 807 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.240 807 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.240 807 G C 0.238 174.717 174.900 -0.701 0.000 1.010 807 G CA 0.435 45.122 45.100 -0.689 0.000 0.618 807 G HN 0.805 nan 8.290 nan 0.000 0.516 808 F N 0.375 120.329 119.950 0.005 0.000 2.784 808 F HA 0.536 5.062 4.527 -0.001 0.000 0.323 808 F C 0.981 176.775 175.800 -0.010 0.000 1.085 808 F CA 0.177 58.176 58.000 -0.001 0.000 1.196 808 F CB 0.821 39.829 39.000 0.013 0.000 1.053 808 F HN 0.499 nan 8.300 nan 0.000 0.578 809 V N -2.252 117.733 119.914 0.119 0.000 3.040 809 V HA 0.965 5.085 4.120 -0.000 0.000 0.312 809 V C 0.270 176.372 176.094 0.014 0.000 1.115 809 V CA -1.177 61.157 62.300 0.056 0.000 0.998 809 V CB 1.011 32.877 31.823 0.071 0.000 1.042 809 V HN 0.055 nan 8.190 nan 0.000 0.433 810 G N 0.395 109.182 108.800 -0.022 0.000 2.527 810 G HA2 0.361 4.321 3.960 -0.000 0.000 0.248 810 G HA3 0.361 4.321 3.960 -0.000 0.000 0.248 810 G C -0.978 173.949 174.900 0.046 0.000 1.231 810 G CA -0.346 44.743 45.100 -0.018 0.000 0.838 810 G HN 1.128 nan 8.290 nan 0.000 0.570 811 Y N 2.061 122.319 120.300 -0.071 0.000 2.452 811 Y HA 0.334 4.883 4.550 -0.001 0.000 0.348 811 Y C 1.152 177.035 175.900 -0.028 0.000 0.985 811 Y CA -0.678 57.389 58.100 -0.054 0.000 1.214 811 Y CB 0.179 38.593 38.460 -0.078 0.000 1.136 811 Y HN 0.489 nan 8.280 nan 0.000 0.523 812 L N 4.019 125.006 121.223 -0.394 0.000 4.232 812 L HA -0.329 4.011 4.340 -0.000 0.000 0.415 812 L C -0.257 176.592 176.870 -0.035 0.000 1.168 812 L CA 0.715 55.354 54.840 -0.335 0.000 0.966 812 L CB -1.986 39.671 42.059 -0.670 0.000 2.052 812 L HN 0.759 nan 8.230 nan 0.000 0.887 813 A N -1.293 121.504 122.820 -0.038 0.000 2.597 813 A HA 0.735 5.055 4.320 -0.000 0.000 0.292 813 A C -2.536 174.988 177.584 -0.100 0.000 1.057 813 A CA -0.623 51.413 52.037 -0.002 0.000 0.674 813 A CB 1.266 20.307 19.000 0.068 0.000 1.278 813 A HN -0.108 nan 8.150 nan 0.000 0.416 814 P HA 0.160 nan 4.420 nan 0.000 0.236 814 P C 0.351 177.546 177.300 -0.176 0.000 1.709 814 P CA 0.460 63.394 63.100 -0.277 0.000 0.942 814 P CB -0.419 31.082 31.700 -0.331 0.000 1.615 815 T N -4.242 110.238 114.554 -0.123 0.000 2.819 815 T HA 0.449 4.799 4.350 -0.000 0.000 0.271 815 T C 0.495 175.121 174.700 -0.123 0.000 0.986 815 T CA -1.123 60.912 62.100 -0.109 0.000 0.989 815 T CB 0.482 69.304 68.868 -0.077 0.000 1.396 815 T HN -0.031 nan 8.240 nan 0.000 0.597 816 M N 1.872 121.387 119.600 -0.142 0.000 2.250 816 M HA 0.186 4.665 4.480 -0.000 0.000 0.337 816 M C 0.402 176.637 176.300 -0.108 0.000 1.161 816 M CA -0.575 54.648 55.300 -0.128 0.000 1.088 816 M CB 0.462 32.970 32.600 -0.153 0.000 1.639 816 M HN 0.793 nan 8.290 nan 0.000 0.447 817 R N 3.633 124.088 120.500 -0.075 0.000 2.697 817 R HA 0.061 4.401 4.340 -0.000 0.000 0.265 817 R C -1.226 175.019 176.300 -0.092 0.000 1.009 817 R CA 0.415 56.480 56.100 -0.058 0.000 1.099 817 R CB 0.168 30.457 30.300 -0.018 0.000 0.965 817 R HN 0.698 nan 8.270 nan 0.000 0.428 818 Q N 0.560 120.301 119.800 -0.098 0.000 2.389 818 Q HA 0.613 4.953 4.340 -0.000 0.000 0.277 818 Q C -0.448 175.449 176.000 -0.171 0.000 1.082 818 Q CA -0.423 55.304 55.803 -0.128 0.000 0.810 818 Q CB 2.608 31.285 28.738 -0.101 0.000 1.374 818 Q HN 1.005 nan 8.270 nan 0.000 0.422 819 G N 1.173 109.853 108.800 -0.200 0.000 2.384 819 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.204 819 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.204 819 G C -1.671 173.071 174.900 -0.264 0.000 1.237 819 G CA -0.489 44.470 45.100 -0.235 0.000 1.060 819 G HN 0.669 nan 8.290 nan 0.000 0.514 820 Q N -0.812 118.822 119.800 -0.277 0.000 2.372 820 Q HA 0.669 5.009 4.340 -0.000 0.000 0.273 820 Q C -3.054 172.815 176.000 -0.219 0.000 1.078 820 Q CA -2.142 53.513 55.803 -0.247 0.000 0.806 820 Q CB 2.826 31.449 28.738 -0.192 0.000 1.332 820 Q HN 0.369 nan 8.270 nan 0.000 0.435 821 P HA -0.051 nan 4.420 nan 0.000 0.258 821 P C -1.711 175.702 177.300 0.188 0.000 1.172 821 P CA 0.833 63.942 63.100 0.016 0.000 0.762 821 P CB -0.109 31.660 31.700 0.114 0.000 0.764 822 Y N 3.712 124.017 120.300 0.007 0.000 2.592 822 Y HA 0.343 4.893 4.550 -0.000 0.000 0.334 822 Y C -2.374 173.576 175.900 0.084 0.000 1.136 822 Y CA -2.380 55.719 58.100 -0.002 0.000 1.042 822 Y CB 1.164 39.548 38.460 -0.127 0.000 1.325 822 Y HN 0.304 nan 8.280 nan 0.000 0.457 823 P HA 0.277 nan 4.420 nan 0.000 0.264 823 P C -0.987 176.418 177.300 0.174 0.000 1.183 823 P CA 0.142 63.223 63.100 -0.031 0.000 0.763 823 P CB 0.444 32.047 31.700 -0.161 0.000 0.807 824 A N 3.089 125.983 122.820 0.123 0.000 2.425 824 A HA 0.134 4.454 4.320 -0.000 0.000 0.242 824 A C 1.103 178.656 177.584 -0.051 0.000 1.077 824 A CA -0.163 51.931 52.037 0.095 0.000 0.781 824 A CB -0.063 18.935 19.000 -0.002 0.000 1.020 824 A HN 0.704 nan 8.150 nan 0.000 0.494 825 N N -0.680 117.869 118.700 -0.251 0.000 2.205 825 N HA 0.160 4.900 4.740 -0.000 0.000 0.201 825 N C -0.666 174.702 175.510 -0.236 0.000 1.128 825 N CA 0.092 52.971 53.050 -0.285 0.000 0.867 825 N CB 0.187 38.379 38.487 -0.492 0.000 0.996 825 N HN 0.619 nan 8.380 nan 0.000 0.503 826 Y N 0.158 120.225 120.300 -0.389 0.000 2.521 826 Y HA 0.454 5.003 4.550 -0.000 0.000 0.326 826 Y C -3.054 172.539 175.900 -0.511 0.000 1.176 826 Y CA -1.602 56.239 58.100 -0.431 0.000 1.079 826 Y CB 1.868 40.125 38.460 -0.337 0.000 1.341 826 Y HN -0.123 nan 8.280 nan 0.000 0.456 827 P HA 0.233 nan 4.420 nan 0.000 0.282 827 P C -1.238 175.689 177.300 -0.621 0.000 1.259 827 P CA -0.139 62.135 63.100 -1.378 0.000 0.826 827 P CB 1.208 32.266 31.700 -1.070 0.000 1.064 828 Y N 1.410 121.513 120.300 -0.329 0.000 2.702 828 Y HA 0.068 4.617 4.550 -0.000 0.000 0.336 828 Y C -1.071 174.706 175.900 -0.204 0.000 1.235 828 Y CA -0.932 57.053 58.100 -0.192 0.000 1.492 828 Y CB -0.975 37.396 38.460 -0.148 0.000 1.308 828 Y HN 0.279 nan 8.280 nan 0.000 0.589 829 P HA 0.106 nan 4.420 nan 0.000 0.276 829 P C -0.120 177.141 177.300 -0.065 0.000 1.235 829 P CA 0.044 63.120 63.100 -0.041 0.000 0.772 829 P CB 0.989 32.672 31.700 -0.029 0.000 0.871 830 L N 2.989 124.170 121.223 -0.071 0.000 2.607 830 L HA 0.236 4.576 4.340 -0.000 0.000 0.228 830 L C 1.189 178.019 176.870 -0.068 0.000 1.123 830 L CA 0.129 54.918 54.840 -0.085 0.000 0.890 830 L CB -0.273 41.736 42.059 -0.083 0.000 1.103 830 L HN 0.419 nan 8.230 nan 0.000 0.468 831 I N -3.933 116.606 120.570 -0.052 0.000 3.239 831 I HA 0.952 5.122 4.170 -0.000 0.000 0.314 831 I C 0.278 176.376 176.117 -0.032 0.000 1.126 831 I CA -0.689 60.588 61.300 -0.038 0.000 0.973 831 I CB 1.830 39.814 38.000 -0.027 0.000 1.252 831 I HN -0.018 nan 8.210 nan 0.000 0.463 832 G N 2.723 111.509 108.800 -0.024 0.000 2.685 832 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.387 832 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.387 832 G C -0.021 174.869 174.900 -0.016 0.000 1.324 832 G CA -0.051 45.038 45.100 -0.018 0.000 0.878 832 G HN 1.226 nan 8.290 nan 0.000 0.527 833 K N -1.257 119.137 120.400 -0.010 0.000 2.504 833 K HA 0.249 4.569 4.320 -0.000 0.000 0.195 833 K C 1.594 178.193 176.600 -0.003 0.000 1.036 833 K CA 1.764 58.047 56.287 -0.006 0.000 0.984 833 K CB 0.125 32.624 32.500 -0.002 0.000 0.788 833 K HN 1.159 nan 8.250 nan 0.000 0.488 834 S N -0.134 115.564 115.700 -0.004 0.000 2.651 834 S HA 0.467 4.937 4.470 -0.000 0.000 0.246 834 S C 0.385 174.971 174.600 -0.024 0.000 1.039 834 S CA -0.680 57.522 58.200 0.003 0.000 1.013 834 S CB 0.328 63.542 63.200 0.023 0.000 0.861 834 S HN 0.342 nan 8.310 nan 0.000 0.485 835 A N 1.982 124.775 122.820 -0.045 0.000 2.565 835 A HA 0.464 4.784 4.320 -0.000 0.000 0.237 835 A C 0.780 178.272 177.584 -0.154 0.000 1.053 835 A CA 0.047 52.032 52.037 -0.086 0.000 0.755 835 A CB -0.323 18.634 19.000 -0.073 0.000 0.980 835 A HN 1.336 nan 8.150 nan 0.000 0.506 836 V N 1.203 120.944 119.914 -0.288 0.000 2.953 836 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 836 V C 0.618 176.478 176.094 -0.391 0.000 1.073 836 V CA -0.460 61.478 62.300 -0.604 0.000 1.064 836 V CB 0.424 31.509 31.823 -1.230 0.000 1.047 836 V HN 0.853 nan 8.190 nan 0.000 0.478 837 T N 3.921 118.288 114.554 -0.313 0.000 2.908 837 T HA 0.358 4.708 4.350 -0.000 0.000 0.301 837 T C 0.408 175.007 174.700 -0.168 0.000 1.019 837 T CA 0.714 62.739 62.100 -0.126 0.000 1.152 837 T CB 0.037 68.919 68.868 0.023 0.000 0.966 837 T HN 1.380 nan 8.240 nan 0.000 0.540 838 S N 1.441 117.070 115.700 -0.118 0.000 2.667 838 S HA 0.847 5.317 4.470 -0.000 0.000 0.292 838 S C -0.527 174.021 174.600 -0.087 0.000 1.126 838 S CA -0.876 57.252 58.200 -0.120 0.000 0.881 838 S CB 1.653 64.779 63.200 -0.123 0.000 1.132 838 S HN 0.860 nan 8.310 nan 0.000 0.492 839 V N -1.748 118.113 119.914 -0.089 0.000 3.040 839 V HA 0.855 4.975 4.120 -0.000 0.000 0.312 839 V C -0.511 175.534 176.094 -0.082 0.000 1.115 839 V CA -0.599 61.659 62.300 -0.071 0.000 0.998 839 V CB 1.354 33.141 31.823 -0.060 0.000 1.042 839 V HN 0.950 nan 8.190 nan 0.000 0.433 840 T N 3.076 117.595 114.554 -0.060 0.000 2.824 840 T HA 0.590 4.939 4.350 -0.000 0.000 0.280 840 T C -0.609 174.067 174.700 -0.040 0.000 0.995 840 T CA -0.330 61.732 62.100 -0.063 0.000 1.009 840 T CB 1.212 70.060 68.868 -0.033 0.000 0.955 840 T HN 0.862 nan 8.240 nan 0.000 0.452 841 Q N 1.895 121.653 119.800 -0.069 0.000 2.365 841 Q HA 0.625 4.965 4.340 -0.000 0.000 0.269 841 Q C -1.009 175.093 176.000 0.169 0.000 1.061 841 Q CA -1.035 54.792 55.803 0.041 0.000 0.816 841 Q CB 2.640 31.392 28.738 0.024 0.000 1.325 841 Q HN 0.473 nan 8.270 nan 0.000 0.446 842 K N 1.319 121.884 120.400 0.275 0.000 2.477 842 K HA 0.633 4.953 4.320 -0.000 0.000 0.255 842 K C -1.109 175.667 176.600 0.293 0.000 0.952 842 K CA -0.942 55.542 56.287 0.328 0.000 0.826 842 K CB 2.525 35.154 32.500 0.215 0.000 1.331 842 K HN 0.615 nan 8.250 nan 0.000 0.437 843 K N 0.137 120.678 120.400 0.235 0.000 2.670 843 K HA 0.557 4.876 4.320 -0.000 0.000 0.289 843 K C -1.559 175.125 176.600 0.139 0.000 1.045 843 K CA -1.064 55.287 56.287 0.107 0.000 0.834 843 K CB 1.048 33.486 32.500 -0.103 0.000 1.531 843 K HN 0.485 nan 8.250 nan 0.000 0.376 844 F N -0.942 119.038 119.950 0.051 0.000 2.645 844 F HA 0.695 5.221 4.527 -0.000 0.000 0.310 844 F C -1.719 174.102 175.800 0.034 0.000 1.102 844 F CA -1.273 56.745 58.000 0.030 0.000 0.952 844 F CB 1.206 40.342 39.000 0.227 0.000 1.326 844 F HN 0.319 nan 8.300 nan 0.000 0.456 845 L N 1.398 122.700 121.223 0.131 0.000 2.322 845 L HA 0.684 5.024 4.340 -0.000 0.000 0.269 845 L C -0.822 176.339 176.870 0.485 0.000 1.012 845 L CA -0.970 53.954 54.840 0.140 0.000 0.815 845 L CB 2.008 44.038 42.059 -0.049 0.000 1.295 845 L HN 0.976 nan 8.230 nan 0.000 0.438 846 C N 1.272 120.859 119.300 0.478 0.000 3.319 846 C HA 0.260 4.720 4.460 -0.000 0.000 0.258 846 C C -0.462 174.672 174.990 0.240 0.000 1.068 846 C CA -0.863 58.383 59.018 0.380 0.000 1.193 846 C CB -0.809 27.244 27.740 0.522 0.000 1.770 846 C HN 0.730 nan 8.230 nan 0.000 0.604 847 D N 1.169 121.741 120.400 0.286 0.000 2.360 847 D HA 0.311 4.951 4.640 -0.000 0.000 0.242 847 D C 1.179 177.688 176.300 0.349 0.000 1.184 847 D CA 0.283 54.513 54.000 0.382 0.000 0.930 847 D CB 0.572 41.678 40.800 0.510 0.000 1.161 847 D HN 0.648 nan 8.370 nan 0.000 0.447 848 R N -1.878 118.897 120.500 0.458 0.000 3.789 848 R HA -0.209 4.131 4.340 -0.000 0.000 0.414 848 R C 0.583 177.174 176.300 0.483 0.000 0.593 848 R CA 1.287 57.667 56.100 0.467 0.000 1.562 848 R CB -1.584 28.953 30.300 0.395 0.000 2.091 848 R HN 0.433 nan 8.270 nan 0.000 0.382 849 V N -0.470 119.602 119.914 0.263 0.000 3.083 849 V HA 0.539 4.659 4.120 -0.000 0.000 0.306 849 V C 0.603 176.614 176.094 -0.138 0.000 1.077 849 V CA -0.496 61.868 62.300 0.106 0.000 1.073 849 V CB 1.289 33.091 31.823 -0.035 0.000 1.081 849 V HN 0.123 nan 8.190 nan 0.000 0.474 850 M N 2.208 121.657 119.600 -0.251 0.000 2.404 850 M HA 0.420 4.899 4.480 -0.000 0.000 0.338 850 M C -0.921 175.131 176.300 -0.414 0.000 1.150 850 M CA -0.147 54.831 55.300 -0.536 0.000 1.016 850 M CB 1.941 34.216 32.600 -0.542 0.000 1.672 850 M HN 0.795 nan 8.290 nan 0.000 0.448 851 W N 2.916 123.868 121.300 -0.579 0.000 2.193 851 W HA 0.188 4.848 4.660 -0.000 0.000 0.338 851 W C 0.297 176.428 176.519 -0.646 0.000 1.310 851 W CA -0.568 56.391 57.345 -0.643 0.000 1.243 851 W CB 0.398 29.166 29.460 -1.153 0.000 1.165 851 W HN 0.345 nan 8.180 nan 0.000 0.566 852 R N 3.559 123.972 120.500 -0.145 0.000 2.686 852 R HA 0.587 4.927 4.340 -0.000 0.000 0.286 852 R C -1.101 175.094 176.300 -0.176 0.000 0.969 852 R CA -1.206 54.793 56.100 -0.169 0.000 0.898 852 R CB 1.977 32.124 30.300 -0.254 0.000 1.183 852 R HN 0.483 nan 8.270 nan 0.000 0.456 853 I N 3.591 124.183 120.570 0.036 0.000 2.466 853 I HA 0.256 4.425 4.170 -0.000 0.000 0.279 853 I C -2.370 173.965 176.117 0.364 0.000 1.033 853 I CA -2.298 59.066 61.300 0.106 0.000 1.123 853 I CB 2.144 40.185 38.000 0.069 0.000 1.237 853 I HN 0.173 nan 8.210 nan 0.000 0.460 854 P HA 0.007 nan 4.420 nan 0.000 0.271 854 P C -0.392 177.222 177.300 0.523 0.000 1.216 854 P CA -0.108 63.151 63.100 0.265 0.000 0.771 854 P CB 0.368 32.179 31.700 0.185 0.000 0.864 855 F N 3.201 123.198 119.950 0.078 0.000 2.606 855 F HA 0.331 4.858 4.527 -0.000 0.000 0.347 855 F C 0.213 176.086 175.800 0.122 0.000 1.207 855 F CA -0.008 58.006 58.000 0.023 0.000 1.306 855 F CB -0.368 38.455 39.000 -0.295 0.000 1.657 855 F HN 0.083 nan 8.300 nan 0.000 0.606 856 S N 0.686 116.484 115.700 0.163 0.000 2.521 856 S HA 0.301 4.771 4.470 -0.000 0.000 0.295 856 S C 0.969 175.566 174.600 -0.005 0.000 1.098 856 S CA -0.085 58.140 58.200 0.041 0.000 0.999 856 S CB 1.295 64.544 63.200 0.082 0.000 1.034 856 S HN 0.510 nan 8.310 nan 0.000 0.483 857 S N 3.296 118.946 115.700 -0.083 0.000 2.440 857 S HA -0.147 4.323 4.470 -0.000 0.000 0.238 857 S C 0.876 175.314 174.600 -0.271 0.000 1.010 857 S CA 1.537 59.652 58.200 -0.143 0.000 0.972 857 S CB -0.608 62.522 63.200 -0.116 0.000 0.774 857 S HN 0.862 nan 8.310 nan 0.000 0.501 858 N N -0.533 118.042 118.700 -0.208 0.000 2.241 858 N HA 0.233 4.973 4.740 -0.000 0.000 0.238 858 N C 0.252 175.748 175.510 -0.023 0.000 1.244 858 N CA -0.424 52.525 53.050 -0.170 0.000 0.880 858 N CB -0.973 37.492 38.487 -0.037 0.000 1.179 858 N HN 0.401 nan 8.380 nan 0.000 0.513 859 F N -1.434 118.602 119.950 0.144 0.000 2.732 859 F HA -0.313 4.213 4.527 -0.001 0.000 0.443 859 F C 0.453 176.278 175.800 0.043 0.000 0.572 859 F CA 0.682 58.745 58.000 0.105 0.000 1.050 859 F CB -1.535 37.495 39.000 0.050 0.000 1.665 859 F HN 0.063 nan 8.300 nan 0.000 0.278 860 M N 0.451 120.167 119.600 0.194 0.000 2.241 860 M HA 0.248 4.728 4.480 -0.000 0.000 0.335 860 M C 0.695 177.031 176.300 0.058 0.000 1.122 860 M CA 0.169 55.538 55.300 0.115 0.000 1.164 860 M CB 0.716 33.393 32.600 0.129 0.000 1.459 860 M HN -0.065 nan 8.290 nan 0.000 0.461 861 S N 2.585 118.299 115.700 0.022 0.000 2.416 861 S HA 0.275 4.744 4.470 -0.000 0.000 0.302 861 S C 0.432 175.041 174.600 0.014 0.000 1.120 861 S CA -0.124 58.075 58.200 -0.002 0.000 1.067 861 S CB -0.036 63.146 63.200 -0.030 0.000 1.057 861 S HN 0.646 nan 8.310 nan 0.000 0.518 862 M N 2.382 121.991 119.600 0.015 0.000 2.347 862 M HA 0.295 4.775 4.480 -0.000 0.000 0.324 862 M C 0.604 176.915 176.300 0.018 0.000 1.028 862 M CA -0.147 55.163 55.300 0.018 0.000 0.988 862 M CB 0.971 33.580 32.600 0.015 0.000 1.528 862 M HN 0.748 nan 8.290 nan 0.000 0.550 863 G N -0.217 108.593 108.800 0.017 0.000 2.306 863 G HA2 0.288 4.248 3.960 -0.000 0.000 0.340 863 G HA3 0.288 4.248 3.960 -0.000 0.000 0.340 863 G C 0.010 174.935 174.900 0.041 0.000 1.630 863 G CA -0.465 44.653 45.100 0.030 0.000 0.937 863 G HN 0.082 nan 8.290 nan 0.000 0.693 864 A N 0.797 123.656 122.820 0.065 0.000 1.902 864 A HA 0.250 4.569 4.320 -0.000 0.000 0.217 864 A C 1.559 179.279 177.584 0.227 0.000 1.181 864 A CA 1.894 53.977 52.037 0.077 0.000 0.623 864 A CB -0.215 18.851 19.000 0.110 0.000 0.818 864 A HN 1.764 nan 8.150 nan 0.000 0.443 865 L N 2.490 123.905 121.223 0.320 0.000 2.363 865 L HA 0.304 4.644 4.340 -0.000 0.000 0.286 865 L C 0.763 177.724 176.870 0.151 0.000 1.106 865 L CA 0.246 55.272 54.840 0.311 0.000 0.859 865 L CB -0.369 41.747 42.059 0.094 0.000 1.223 865 L HN 0.396 nan 8.230 nan 0.000 0.446 866 T N 0.252 114.891 114.554 0.141 0.000 2.766 866 T HA 0.176 4.526 4.350 -0.000 0.000 0.295 866 T C 1.025 175.758 174.700 0.056 0.000 1.024 866 T CA 0.072 62.216 62.100 0.073 0.000 1.018 866 T CB 0.659 69.563 68.868 0.060 0.000 1.002 866 T HN 0.671 nan 8.240 nan 0.000 0.532 867 D N 1.070 121.476 120.400 0.011 0.000 2.097 867 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 867 D C 2.066 178.356 176.300 -0.017 0.000 0.984 867 D CA 1.150 55.147 54.000 -0.005 0.000 0.826 867 D CB -0.755 40.029 40.800 -0.027 0.000 0.973 867 D HN 0.543 nan 8.370 nan 0.000 0.460 868 L N 0.371 121.536 121.223 -0.097 0.000 2.131 868 L HA 0.034 4.374 4.340 -0.000 0.000 0.210 868 L C 2.684 179.612 176.870 0.097 0.000 1.092 868 L CA 1.280 56.011 54.840 -0.182 0.000 0.759 868 L CB -0.723 40.873 42.059 -0.771 0.000 0.903 868 L HN 0.216 nan 8.230 nan 0.000 0.435 869 G N -0.651 108.281 108.800 0.220 0.000 2.432 869 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 869 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 869 G C 1.526 176.553 174.900 0.212 0.000 1.135 869 G CA 0.307 45.609 45.100 0.338 0.000 0.767 869 G HN 0.428 nan 8.290 nan 0.000 0.550 870 Q N -0.166 119.710 119.800 0.127 0.000 2.212 870 Q HA 0.064 4.404 4.340 -0.000 0.000 0.199 870 Q C 2.248 178.291 176.000 0.072 0.000 0.950 870 Q CA 0.519 56.370 55.803 0.079 0.000 0.863 870 Q CB -0.095 28.669 28.738 0.043 0.000 0.944 870 Q HN 0.545 nan 8.270 nan 0.000 0.465 871 N N 0.293 119.033 118.700 0.068 0.000 2.309 871 N HA -0.104 4.636 4.740 -0.000 0.000 0.182 871 N C 1.455 177.014 175.510 0.082 0.000 1.018 871 N CA 0.592 53.675 53.050 0.054 0.000 0.876 871 N CB 0.039 38.541 38.487 0.024 0.000 0.972 871 N HN 0.125 nan 8.380 nan 0.000 0.434 872 M N 1.019 120.698 119.600 0.133 0.000 2.630 872 M HA 0.048 4.527 4.480 -0.000 0.000 0.254 872 M C 1.988 178.369 176.300 0.136 0.000 1.092 872 M CA 0.486 55.883 55.300 0.162 0.000 1.087 872 M CB -0.244 32.506 32.600 0.250 0.000 1.453 872 M HN 0.144 nan 8.290 nan 0.000 0.509 873 L N -1.987 119.298 121.223 0.103 0.000 2.072 873 L HA -0.009 4.331 4.340 -0.000 0.000 0.205 873 L C 2.599 179.502 176.870 0.055 0.000 1.079 873 L CA 2.375 57.257 54.840 0.070 0.000 0.752 873 L CB -2.775 39.314 42.059 0.051 0.000 0.906 873 L HN 0.557 nan 8.230 nan 0.000 0.436 874 Y N -1.103 119.228 120.300 0.053 0.000 2.263 874 Y HA 0.475 5.025 4.550 -0.000 0.000 0.292 874 Y C 2.423 178.356 175.900 0.055 0.000 1.130 874 Y CA 0.825 58.950 58.100 0.043 0.000 1.179 874 Y CB -0.937 37.542 38.460 0.033 0.000 0.998 874 Y HN 0.688 nan 8.280 nan 0.000 0.532 875 A N 1.804 124.671 122.820 0.078 0.000 3.004 875 A HA 0.365 4.685 4.320 -0.000 0.000 0.252 875 A C 1.084 178.738 177.584 0.117 0.000 1.802 875 A CA 0.401 52.507 52.037 0.115 0.000 1.424 875 A CB -2.322 16.762 19.000 0.140 0.000 1.005 875 A HN 1.142 nan 8.150 nan 0.000 0.631 876 N N 0.339 119.077 118.700 0.063 0.000 3.105 876 N HA 0.329 5.069 4.740 -0.000 0.000 0.309 876 N C 0.260 175.761 175.510 -0.015 0.000 1.291 876 N CA 0.806 53.873 53.050 0.029 0.000 1.153 876 N CB -0.071 38.428 38.487 0.020 0.000 1.447 876 N HN 0.539 nan 8.380 nan 0.000 0.555 877 S N -1.125 114.532 115.700 -0.071 0.000 2.632 877 S HA 0.799 5.269 4.470 -0.000 0.000 0.289 877 S C -0.467 173.925 174.600 -0.347 0.000 1.115 877 S CA -0.010 58.069 58.200 -0.201 0.000 0.889 877 S CB 1.401 64.466 63.200 -0.225 0.000 1.116 877 S HN 0.909 nan 8.310 nan 0.000 0.486 878 A N 3.271 125.931 122.820 -0.267 0.000 2.362 878 A HA 0.552 4.871 4.320 -0.000 0.000 0.276 878 A C -0.473 176.961 177.584 -0.250 0.000 1.153 878 A CA -0.124 51.809 52.037 -0.174 0.000 0.813 878 A CB -0.080 18.870 19.000 -0.084 0.000 1.081 878 A HN 0.841 nan 8.150 nan 0.000 0.507 879 H N 0.832 120.072 119.070 0.283 0.000 2.529 879 H HA 0.624 5.179 4.556 -0.000 0.000 0.348 879 H C 0.344 175.911 175.328 0.399 0.000 1.152 879 H CA 0.081 56.303 56.048 0.289 0.000 1.202 879 H CB 2.000 31.884 29.762 0.203 0.000 1.562 879 H HN 0.825 nan 8.280 nan 0.000 0.515 880 A N 2.001 125.056 122.820 0.392 0.000 2.264 880 A HA 0.516 4.836 4.320 -0.000 0.000 0.304 880 A C -0.760 176.983 177.584 0.265 0.000 1.100 880 A CA -0.465 51.755 52.037 0.305 0.000 0.839 880 A CB 0.679 19.782 19.000 0.173 0.000 1.121 880 A HN 0.448 nan 8.150 nan 0.000 0.496 881 L N 0.888 122.215 121.223 0.175 0.000 2.438 881 L HA 0.537 4.877 4.340 -0.000 0.000 0.270 881 L C -1.725 175.126 176.870 -0.032 0.000 0.972 881 L CA -0.287 54.503 54.840 -0.082 0.000 0.831 881 L CB 2.115 44.058 42.059 -0.193 0.000 1.273 881 L HN 0.631 nan 8.230 nan 0.000 0.405 882 D N 6.382 126.715 120.400 -0.113 0.000 2.217 882 D HA 0.553 5.192 4.640 -0.000 0.000 0.243 882 D C -0.540 175.674 176.300 -0.143 0.000 1.054 882 D CA -0.022 53.935 54.000 -0.073 0.000 0.838 882 D CB 2.001 42.773 40.800 -0.048 0.000 1.162 882 D HN 0.530 nan 8.370 nan 0.000 0.472 883 M N 1.557 121.092 119.600 -0.107 0.000 2.535 883 M HA 0.340 4.819 4.480 -0.000 0.000 0.314 883 M C -0.315 175.900 176.300 -0.142 0.000 1.153 883 M CA -0.826 54.353 55.300 -0.202 0.000 0.924 883 M CB 2.685 35.169 32.600 -0.194 0.000 1.710 883 M HN 0.091 nan 8.290 nan 0.000 0.451 884 N N 1.794 120.343 118.700 -0.251 0.000 2.430 884 N HA 0.468 5.208 4.740 -0.000 0.000 0.290 884 N C -2.252 173.105 175.510 -0.254 0.000 1.063 884 N CA -0.236 52.735 53.050 -0.131 0.000 0.883 884 N CB 1.566 39.997 38.487 -0.093 0.000 1.465 884 N HN 0.431 nan 8.380 nan 0.000 0.493 885 F N 1.349 121.208 119.950 -0.152 0.000 2.436 885 F HA 0.324 4.851 4.527 -0.000 0.000 0.340 885 F C 0.802 176.561 175.800 -0.069 0.000 1.113 885 F CA -0.764 57.169 58.000 -0.111 0.000 1.022 885 F CB 1.405 40.373 39.000 -0.053 0.000 1.128 885 F HN 0.404 nan 8.300 nan 0.000 0.466 886 E N 3.506 123.760 120.200 0.090 0.000 2.151 886 E HA 0.661 5.011 4.350 -0.000 0.000 0.275 886 E C -1.508 175.099 176.600 0.011 0.000 0.936 886 E CA -0.727 55.689 56.400 0.027 0.000 0.777 886 E CB 1.390 31.083 29.700 -0.012 0.000 1.108 886 E HN 0.514 nan 8.360 nan 0.000 0.401 887 V N 0.685 120.568 119.914 -0.050 0.000 3.102 887 V HA 0.510 4.630 4.120 -0.000 0.000 0.312 887 V C -0.524 175.509 176.094 -0.102 0.000 1.135 887 V CA -1.209 61.003 62.300 -0.146 0.000 1.022 887 V CB 1.842 33.479 31.823 -0.309 0.000 1.056 887 V HN 0.626 nan 8.190 nan 0.000 0.436 888 D N 3.032 123.366 120.400 -0.111 0.000 2.414 888 D HA 0.348 4.988 4.640 -0.000 0.000 0.242 888 D C -2.441 173.819 176.300 -0.067 0.000 1.129 888 D CA -0.555 53.407 54.000 -0.062 0.000 0.885 888 D CB 1.093 41.867 40.800 -0.042 0.000 1.198 888 D HN 0.608 nan 8.370 nan 0.000 0.437 889 P HA 0.243 nan 4.420 nan 0.000 0.278 889 P C -0.589 176.700 177.300 -0.018 0.000 1.238 889 P CA -0.290 62.794 63.100 -0.027 0.000 0.794 889 P CB 0.757 32.451 31.700 -0.010 0.000 0.955 890 M N 0.495 120.083 119.600 -0.020 0.000 2.327 890 M HA 0.304 4.784 4.480 -0.000 0.000 0.298 890 M C 0.742 177.044 176.300 0.003 0.000 1.065 890 M CA -0.413 54.885 55.300 -0.003 0.000 0.916 890 M CB 2.055 34.649 32.600 -0.011 0.000 1.630 890 M HN 0.330 nan 8.290 nan 0.000 0.442 891 D N 2.675 123.085 120.400 0.017 0.000 2.490 891 D HA 0.141 4.780 4.640 -0.000 0.000 0.255 891 D C 0.171 176.476 176.300 0.009 0.000 1.248 891 D CA 0.376 54.384 54.000 0.013 0.000 0.887 891 D CB -0.354 40.459 40.800 0.020 0.000 0.978 891 D HN 0.720 nan 8.370 nan 0.000 0.491 892 E N -2.705 117.497 120.200 0.004 0.000 2.445 892 E HA 0.498 4.848 4.350 -0.000 0.000 0.279 892 E C -1.055 175.537 176.600 -0.014 0.000 1.018 892 E CA -0.831 55.567 56.400 -0.003 0.000 0.816 892 E CB 0.799 30.503 29.700 0.005 0.000 1.356 892 E HN -0.037 nan 8.360 nan 0.000 0.462 893 S N 0.957 116.644 115.700 -0.022 0.000 2.533 893 S HA 0.319 4.788 4.470 -0.000 0.000 0.282 893 S C -0.154 174.430 174.600 -0.026 0.000 1.304 893 S CA 0.294 58.476 58.200 -0.029 0.000 1.063 893 S CB 0.316 63.490 63.200 -0.044 0.000 0.881 893 S HN 0.560 nan 8.310 nan 0.000 0.493 894 T N 0.774 115.313 114.554 -0.025 0.000 2.838 894 T HA 0.773 5.122 4.350 -0.000 0.000 0.292 894 T C -0.909 173.786 174.700 -0.009 0.000 1.113 894 T CA -0.982 61.106 62.100 -0.021 0.000 1.008 894 T CB 0.690 69.535 68.868 -0.037 0.000 1.259 894 T HN 0.355 nan 8.240 nan 0.000 0.520 895 L N 1.119 122.349 121.223 0.011 0.000 2.408 895 L HA 0.589 4.928 4.340 -0.000 0.000 0.268 895 L C -0.978 175.949 176.870 0.095 0.000 0.986 895 L CA -1.286 53.579 54.840 0.041 0.000 0.820 895 L CB 2.106 44.174 42.059 0.014 0.000 1.303 895 L HN 0.634 nan 8.230 nan 0.000 0.411 896 L N 3.229 124.528 121.223 0.127 0.000 2.313 896 L HA 0.245 4.585 4.340 -0.000 0.000 0.282 896 L C -1.013 176.034 176.870 0.295 0.000 1.092 896 L CA 0.492 55.421 54.840 0.148 0.000 0.831 896 L CB 0.230 42.278 42.059 -0.018 0.000 1.159 896 L HN 0.504 nan 8.230 nan 0.000 0.442 897 Y N 5.759 126.139 120.300 0.133 0.000 2.369 897 Y HA 0.629 5.179 4.550 -0.000 0.000 0.337 897 Y C -1.067 174.911 175.900 0.129 0.000 0.961 897 Y CA -1.216 56.977 58.100 0.154 0.000 1.186 897 Y CB 1.231 39.791 38.460 0.168 0.000 1.139 897 Y HN 0.406 nan 8.280 nan 0.000 0.494 898 V N 7.313 127.411 119.914 0.307 0.000 2.417 898 V HA 0.296 4.416 4.120 -0.000 0.000 0.291 898 V C -0.478 175.591 176.094 -0.041 0.000 1.024 898 V CA -0.868 61.451 62.300 0.032 0.000 0.861 898 V CB 1.439 33.255 31.823 -0.012 0.000 0.985 898 V HN 0.568 nan 8.190 nan 0.000 0.436 899 V N 5.550 125.320 119.914 -0.240 0.000 2.328 899 V HA 0.418 4.538 4.120 -0.000 0.000 0.278 899 V C -0.499 175.466 176.094 -0.214 0.000 1.021 899 V CA -0.332 61.870 62.300 -0.165 0.000 0.838 899 V CB 0.930 32.590 31.823 -0.273 0.000 0.999 899 V HN 0.670 nan 8.190 nan 0.000 0.447 900 F N 3.084 122.997 119.950 -0.061 0.000 2.413 900 F HA 0.353 4.879 4.527 -0.001 0.000 0.359 900 F C 0.990 176.573 175.800 -0.361 0.000 1.122 900 F CA -0.504 57.373 58.000 -0.205 0.000 1.160 900 F CB 0.531 39.162 39.000 -0.615 0.000 1.146 900 F HN 0.490 nan 8.300 nan 0.000 0.514 901 E N 3.510 123.491 120.200 -0.365 0.000 2.217 901 E HA 0.380 4.730 4.350 -0.000 0.000 0.279 901 E C -0.057 176.240 176.600 -0.505 0.000 1.068 901 E CA -0.384 55.736 56.400 -0.467 0.000 0.882 901 E CB 0.980 30.359 29.700 -0.535 0.000 1.039 901 E HN 0.511 nan 8.360 nan 0.000 0.418 902 V N -0.036 119.657 119.914 -0.368 0.000 3.426 902 V HA 0.589 4.709 4.120 -0.000 0.000 0.305 902 V C -0.960 174.902 176.094 -0.387 0.000 1.350 902 V CA -1.051 61.114 62.300 -0.226 0.000 1.013 902 V CB 0.863 32.671 31.823 -0.025 0.000 1.191 902 V HN 0.402 nan 8.190 nan 0.000 0.479 903 F N 0.992 120.904 119.950 -0.063 0.000 2.426 903 F HA 0.666 5.193 4.527 -0.001 0.000 0.348 903 F C -0.309 175.458 175.800 -0.055 0.000 1.124 903 F CA -0.168 57.791 58.000 -0.069 0.000 1.008 903 F CB 1.503 40.482 39.000 -0.036 0.000 1.139 903 F HN 0.588 nan 8.300 nan 0.000 0.452 904 D N 4.192 124.594 120.400 0.003 0.000 2.462 904 D HA 0.430 5.070 4.640 -0.000 0.000 0.249 904 D C -1.211 175.062 176.300 -0.046 0.000 1.117 904 D CA -0.059 53.909 54.000 -0.053 0.000 0.900 904 D CB 0.929 41.593 40.800 -0.228 0.000 1.039 904 D HN 0.158 nan 8.370 nan 0.000 0.516 905 V N 2.258 122.272 119.914 0.166 0.000 2.815 905 V HA 0.651 4.771 4.120 -0.000 0.000 0.314 905 V C -0.096 176.177 176.094 0.298 0.000 1.064 905 V CA -1.014 61.427 62.300 0.235 0.000 0.952 905 V CB 2.069 33.985 31.823 0.154 0.000 1.020 905 V HN 0.253 nan 8.190 nan 0.000 0.439 906 V N 3.640 123.712 119.914 0.264 0.000 2.876 906 V HA 0.706 4.826 4.120 -0.000 0.000 0.312 906 V C -0.721 175.362 176.094 -0.018 0.000 1.085 906 V CA -0.699 61.565 62.300 -0.060 0.000 0.945 906 V CB 2.076 33.682 31.823 -0.362 0.000 1.017 906 V HN 0.958 nan 8.190 nan 0.000 0.428 907 R N 4.003 124.454 120.500 -0.081 0.000 2.534 907 R HA 0.774 5.114 4.340 -0.000 0.000 0.301 907 R C -2.048 174.240 176.300 -0.020 0.000 0.961 907 R CA -0.415 55.660 56.100 -0.043 0.000 0.871 907 R CB 2.087 32.365 30.300 -0.036 0.000 1.170 907 R HN 0.597 nan 8.270 nan 0.000 0.446 908 V N 3.681 123.613 119.914 0.030 0.000 2.495 908 V HA 0.314 4.434 4.120 -0.000 0.000 0.298 908 V C -0.892 175.280 176.094 0.129 0.000 1.031 908 V CA -0.868 61.478 62.300 0.078 0.000 0.871 908 V CB 1.439 33.326 31.823 0.107 0.000 0.988 908 V HN 0.747 nan 8.190 nan 0.000 0.432 909 H N 3.557 122.645 119.070 0.028 0.000 2.646 909 H HA 0.494 5.049 4.556 -0.000 0.000 0.328 909 H C -0.406 174.951 175.328 0.047 0.000 0.998 909 H CA -0.429 55.636 56.048 0.028 0.000 1.225 909 H CB 1.522 31.297 29.762 0.022 0.000 1.457 909 H HN 0.647 nan 8.280 nan 0.000 0.505 910 Q N 7.216 126.846 119.800 -0.283 0.000 2.788 910 Q HA 0.184 4.523 4.340 -0.000 0.000 0.278 910 Q C -1.962 173.832 176.000 -0.343 0.000 1.126 910 Q CA -1.884 53.785 55.803 -0.224 0.000 1.017 910 Q CB 1.375 30.087 28.738 -0.043 0.000 1.219 910 Q HN 0.638 nan 8.270 nan 0.000 0.503 911 P HA -0.189 nan 4.420 nan 0.000 0.219 911 P C 0.152 177.372 177.300 -0.132 0.000 1.146 911 P CA 1.746 64.611 63.100 -0.392 0.000 0.808 911 P CB 0.230 31.829 31.700 -0.169 0.000 0.779 912 H N -2.449 116.563 119.070 -0.096 0.000 3.068 912 H HA 0.506 5.061 4.556 -0.000 0.000 0.342 912 H C -0.571 174.738 175.328 -0.032 0.000 1.284 912 H CA -0.974 55.048 56.048 -0.043 0.000 1.181 912 H CB 0.365 30.112 29.762 -0.026 0.000 1.898 912 H HN -0.026 nan 8.280 nan 0.000 0.540 913 R N 0.582 121.071 120.500 -0.020 0.000 2.583 913 R HA 0.299 4.638 4.340 -0.000 0.000 0.274 913 R C 1.418 177.673 176.300 -0.075 0.000 0.998 913 R CA 1.949 58.038 56.100 -0.018 0.000 1.081 913 R CB -0.464 29.826 30.300 -0.017 0.000 0.940 913 R HN 2.080 nan 8.270 nan 0.000 0.413 914 G N 2.414 111.127 108.800 -0.144 0.000 2.187 914 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.261 914 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.261 914 G C -0.266 174.499 174.900 -0.226 0.000 1.000 914 G CA 0.392 45.293 45.100 -0.332 0.000 0.718 914 G HN 0.489 nan 8.290 nan 0.000 0.519 915 V N 0.811 120.672 119.914 -0.088 0.000 2.417 915 V HA 0.765 4.885 4.120 -0.000 0.000 0.291 915 V C 0.308 176.429 176.094 0.045 0.000 1.024 915 V CA -0.640 61.644 62.300 -0.026 0.000 0.861 915 V CB 2.063 33.872 31.823 -0.023 0.000 0.985 915 V HN 0.492 nan 8.190 nan 0.000 0.436 916 I N 3.797 124.420 120.570 0.089 0.000 2.534 916 I HA 0.570 4.740 4.170 -0.000 0.000 0.286 916 I C -0.711 175.475 176.117 0.115 0.000 1.094 916 I CA -0.153 61.222 61.300 0.125 0.000 1.055 916 I CB 1.723 39.858 38.000 0.225 0.000 1.225 916 I HN 0.729 nan 8.210 nan 0.000 0.435 917 E N 6.304 126.575 120.200 0.118 0.000 2.227 917 E HA 0.804 5.153 4.350 -0.000 0.000 0.268 917 E C -1.055 175.624 176.600 0.131 0.000 0.907 917 E CA -1.069 55.414 56.400 0.138 0.000 0.786 917 E CB 2.367 32.167 29.700 0.167 0.000 1.191 917 E HN 0.634 nan 8.360 nan 0.000 0.411 918 A N 1.735 124.630 122.820 0.124 0.000 2.414 918 A HA 0.637 4.957 4.320 -0.000 0.000 0.306 918 A C -1.011 176.616 177.584 0.072 0.000 1.054 918 A CA -0.691 51.383 52.037 0.062 0.000 0.724 918 A CB 1.357 20.383 19.000 0.043 0.000 1.267 918 A HN 0.328 nan 8.150 nan 0.000 0.418 919 V N 1.763 121.661 119.914 -0.026 0.000 2.448 919 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 919 V C -1.193 174.874 176.094 -0.045 0.000 1.025 919 V CA -0.476 61.849 62.300 0.042 0.000 0.859 919 V CB 0.912 32.757 31.823 0.036 0.000 0.988 919 V HN 0.790 nan 8.190 nan 0.000 0.431 920 Y N 4.419 124.793 120.300 0.123 0.000 2.409 920 Y HA 0.796 5.345 4.550 -0.001 0.000 0.339 920 Y C -0.303 175.676 175.900 0.132 0.000 1.033 920 Y CA -0.849 57.348 58.100 0.162 0.000 1.094 920 Y CB 2.110 40.683 38.460 0.188 0.000 1.210 920 Y HN 0.564 nan 8.280 nan 0.000 0.456 921 L N 4.061 125.457 121.223 0.288 0.000 2.528 921 L HA 0.521 4.860 4.340 -0.000 0.000 0.267 921 L C -1.310 175.680 176.870 0.201 0.000 0.961 921 L CA -0.671 54.288 54.840 0.199 0.000 0.866 921 L CB 1.593 43.726 42.059 0.123 0.000 1.248 921 L HN 0.685 nan 8.230 nan 0.000 0.404 922 R N 2.897 123.504 120.500 0.180 0.000 2.295 922 R HA 0.741 5.081 4.340 -0.000 0.000 0.324 922 R C -1.188 175.196 176.300 0.140 0.000 0.968 922 R CA -0.157 56.038 56.100 0.157 0.000 0.837 922 R CB 1.384 31.771 30.300 0.145 0.000 1.133 922 R HN 0.731 nan 8.270 nan 0.000 0.450 923 T N 6.297 120.950 114.554 0.164 0.000 2.971 923 T HA 0.455 4.805 4.350 -0.000 0.000 0.304 923 T C -2.628 172.212 174.700 0.232 0.000 1.038 923 T CA -1.836 60.360 62.100 0.159 0.000 1.007 923 T CB 1.629 70.564 68.868 0.112 0.000 1.055 923 T HN 0.460 nan 8.240 nan 0.000 0.451 924 P HA 0.377 nan 4.420 nan 0.000 0.318 924 P C -0.257 177.211 177.300 0.281 0.000 1.309 924 P CA -0.296 62.903 63.100 0.164 0.000 0.736 924 P CB 0.155 31.922 31.700 0.112 0.000 1.440 925 F N -2.945 116.866 119.950 -0.231 0.000 2.807 925 F HA -0.190 4.337 4.527 -0.001 0.000 0.297 925 F C 0.489 176.232 175.800 -0.096 0.000 1.024 925 F CA -0.325 57.551 58.000 -0.207 0.000 1.008 925 F CB -2.383 36.510 39.000 -0.178 0.000 1.142 925 F HN 0.015 nan 8.300 nan 0.000 0.829 926 S N 0.279 115.985 115.700 0.011 0.000 2.559 926 S HA 0.382 4.851 4.470 -0.000 0.000 0.282 926 S C 0.759 175.384 174.600 0.041 0.000 1.336 926 S CA -0.251 57.966 58.200 0.029 0.000 1.037 926 S CB 0.898 64.089 63.200 -0.015 0.000 0.853 926 S HN 0.738 nan 8.310 nan 0.000 0.523 927 A N 2.185 125.044 122.820 0.066 0.000 2.498 927 A HA 0.498 4.817 4.320 -0.000 0.000 0.239 927 A C 1.310 178.914 177.584 0.033 0.000 1.068 927 A CA 0.023 52.100 52.037 0.066 0.000 0.766 927 A CB -0.261 18.788 19.000 0.081 0.000 1.003 927 A HN 0.924 nan 8.150 nan 0.000 0.497 928 G N 0.821 109.640 108.800 0.031 0.000 2.648 928 G HA2 0.419 4.378 3.960 -0.000 0.000 0.217 928 G HA3 0.419 4.378 3.960 -0.000 0.000 0.217 928 G C 0.520 175.423 174.900 0.005 0.000 1.386 928 G CA 1.094 46.202 45.100 0.013 0.000 0.920 928 G HN 1.508 nan 8.290 nan 0.000 0.540 929 N N 0.000 118.702 118.700 0.004 0.000 1.763 929 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 929 N CA 0.000 53.045 53.050 -0.009 0.000 0.885 929 N CB 0.000 38.480 38.487 -0.011 0.000 1.341 929 N HN 0.000 nan 8.380 nan 0.000 0.667