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 1rwc_1_A DATA FIRST_RESID 4 DATA SEQUENCE PGAAEFAALR NRWVDQITGR NVIQAGDPDF AKAITALNNK AADSLAKLDA DATA SEQUENCE AAGRTSVFTD LSLAKDAEMV TTYTRLSQLA TAWATPTAAV FGDAAVLAAI DATA SEQUENCE KAGLADANTL CYNDRKEEVG NWWSWEIGVP RALADAMVLL HAELSAAERT DATA SEQUENCE AYCAAIDHFV PDPWLQFPPK RGKITSVGAN RVDLCQGIII RSLAGEDPTK DATA SEQUENCE LNHAVAGLSQ VWQYVTSGDG IFRDGSFIQH STTPYTGSYG VVLLTGLSKL DATA SEQUENCE FSLLGGTAFE VSDPTRSIFF DAVEGSFAPV MINGAMADAV RGRSISREAN DATA SEQUENCE TGYDLGASAI EAILLLARAM DPATAARWRG LCAGWIARDT YRPILNSASV DATA SEQUENCE PRTALVKQLE ATGVAPVAEA TGHKLFPAMD RTMHRGPGWA LSLALSSNRI DATA SEQUENCE AWYECGNGEN NRGYHTGSGM TYFYTSDLGQ YDDAFWATAN YNRLPGITVD DATA SEQUENCE TTPLPDKVEG QWGAAVPADE WSGATALGEV AAVGQHLVGP GRTGLTARKS DATA SEQUENCE WFVSGDVTVC LGADISTASG AKVETIVDHR NLHQGSNTLT TAAGTIAGTA DATA SEQUENCE GTVEVLGDGR WVHLEGFGGY AMLDDSPLHV LRETRSGSWS GVNINGSATV DATA SEQUENCE QQRNFATLYV NHGVGPVAGS YAYMVAPGAS VDLTRKLLEG NKYSVIRNDA DATA SEQUENCE TAQSVEFKTA KTTAATFWKP GMAGDLGASG PACVVFSRHG NELSLAVSEP DATA SEQUENCE TQKAAGLTLT LPEGTWSSVL EGAGTLGTDA DGRSTLTLDT TGLSGKTKLI DATA SEQUENCE KLKR 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 4 P HA 0.000 nan 4.420 nan 0.000 0.216 4 P C 0.000 177.349 177.300 0.082 0.000 1.155 4 P CA 0.000 63.086 63.100 -0.024 0.000 0.800 4 P CB 0.000 31.610 31.700 -0.149 0.000 0.726 5 G N -0.730 108.131 108.800 0.101 0.000 2.896 5 G HA2 0.545 4.506 3.960 0.001 0.000 0.247 5 G HA3 0.545 4.506 3.960 0.001 0.000 0.247 5 G C 0.504 175.590 174.900 0.311 0.000 1.187 5 G CA 0.368 45.606 45.100 0.230 0.000 0.837 5 G HN 0.552 nan 8.290 nan 0.000 0.559 6 A N -0.461 122.511 122.820 0.253 0.000 1.978 6 A HA 0.222 4.543 4.320 0.001 0.000 0.220 6 A C 2.655 180.351 177.584 0.187 0.000 1.170 6 A CA 3.012 55.190 52.037 0.235 0.000 0.636 6 A CB -0.956 18.131 19.000 0.146 0.000 0.810 6 A HN 1.576 nan 8.150 nan 0.000 0.448 7 A N -0.238 122.658 122.820 0.127 0.000 1.873 7 A HA -0.095 4.225 4.320 0.001 0.000 0.215 7 A C 1.891 179.521 177.584 0.077 0.000 1.186 7 A CA 1.876 53.966 52.037 0.088 0.000 0.616 7 A CB -0.483 18.552 19.000 0.059 0.000 0.823 7 A HN 0.459 nan 8.150 nan 0.000 0.442 8 E N -0.453 119.775 120.200 0.047 0.000 2.077 8 E HA -0.112 4.238 4.350 0.001 0.000 0.193 8 E C 1.572 178.148 176.600 -0.039 0.000 0.989 8 E CA 1.227 57.614 56.400 -0.022 0.000 0.800 8 E CB -0.509 29.131 29.700 -0.099 0.000 0.746 8 E HN 0.701 nan 8.360 nan 0.000 0.452 9 F N 0.547 120.547 119.950 0.084 0.000 2.134 9 F HA -0.167 4.361 4.527 0.001 0.000 0.299 9 F C 2.323 178.117 175.800 -0.010 0.000 1.097 9 F CA 0.939 58.960 58.000 0.034 0.000 1.264 9 F CB -0.306 38.703 39.000 0.015 0.000 1.001 9 F HN 0.052 nan 8.300 nan 0.000 0.479 10 A N -0.037 122.886 122.820 0.173 0.000 1.933 10 A HA -0.101 4.219 4.320 0.001 0.000 0.218 10 A C 2.346 179.980 177.584 0.084 0.000 1.175 10 A CA 1.634 53.722 52.037 0.086 0.000 0.628 10 A CB -1.219 17.832 19.000 0.084 0.000 0.814 10 A HN 0.321 nan 8.150 nan 0.000 0.444 11 A N -0.384 122.485 122.820 0.081 0.000 1.902 11 A HA -0.016 4.305 4.320 0.001 0.000 0.217 11 A C 2.181 179.819 177.584 0.089 0.000 1.181 11 A CA 1.454 53.536 52.037 0.074 0.000 0.623 11 A CB -0.559 18.474 19.000 0.055 0.000 0.818 11 A HN 0.460 nan 8.150 nan 0.000 0.443 12 L N -0.980 120.295 121.223 0.086 0.000 2.017 12 L HA -0.189 4.152 4.340 0.001 0.000 0.208 12 L C 2.877 179.833 176.870 0.143 0.000 1.073 12 L CA 1.459 56.360 54.840 0.102 0.000 0.745 12 L CB -0.416 41.676 42.059 0.054 0.000 0.894 12 L HN 0.347 nan 8.230 nan 0.000 0.432 13 R N -0.337 120.237 120.500 0.124 0.000 2.105 13 R HA -0.171 4.169 4.340 0.001 0.000 0.239 13 R C 2.035 178.449 176.300 0.190 0.000 1.135 13 R CA 1.436 57.620 56.100 0.139 0.000 0.967 13 R CB -0.463 29.854 30.300 0.028 0.000 0.861 13 R HN 0.443 nan 8.270 nan 0.000 0.442 14 N N 0.520 119.306 118.700 0.144 0.000 2.216 14 N HA -0.131 4.610 4.740 0.001 0.000 0.183 14 N C 1.747 177.344 175.510 0.146 0.000 1.017 14 N CA 0.785 53.916 53.050 0.135 0.000 0.861 14 N CB -0.148 38.400 38.487 0.102 0.000 0.986 14 N HN 0.241 nan 8.380 nan 0.000 0.428 15 R N -0.075 120.520 120.500 0.159 0.000 2.096 15 R HA -0.128 4.212 4.340 0.001 0.000 0.235 15 R C 2.184 178.622 176.300 0.229 0.000 1.127 15 R CA 0.984 57.184 56.100 0.166 0.000 0.968 15 R CB -0.340 30.060 30.300 0.166 0.000 0.861 15 R HN 0.388 nan 8.270 nan 0.000 0.440 16 W N 0.748 122.088 121.300 0.067 0.000 2.409 16 W HA -0.145 4.515 4.660 0.001 0.000 0.299 16 W C 1.557 178.122 176.519 0.076 0.000 1.203 16 W CA 1.146 58.533 57.345 0.070 0.000 1.298 16 W CB -0.013 29.488 29.460 0.069 0.000 1.127 16 W HN -0.032 nan 8.180 nan 0.000 0.528 17 V N 1.328 121.355 119.914 0.188 0.000 2.332 17 V HA -0.331 3.790 4.120 0.001 0.000 0.248 17 V C 2.031 178.129 176.094 0.006 0.000 1.055 17 V CA 2.373 64.722 62.300 0.082 0.000 1.038 17 V CB -1.075 30.840 31.823 0.154 0.000 0.651 17 V HN 0.013 nan 8.190 nan 0.000 0.450 18 D N -0.515 119.905 120.400 0.033 0.000 2.104 18 D HA -0.224 4.416 4.640 0.001 0.000 0.194 18 D C 2.174 178.449 176.300 -0.042 0.000 0.994 18 D CA 1.602 55.607 54.000 0.008 0.000 0.830 18 D CB -0.247 40.572 40.800 0.032 0.000 0.959 18 D HN 0.525 nan 8.370 nan 0.000 0.452 19 Q N 0.158 119.907 119.800 -0.085 0.000 2.020 19 Q HA -0.119 4.221 4.340 0.001 0.000 0.202 19 Q C 2.453 178.303 176.000 -0.249 0.000 0.982 19 Q CA 1.246 56.953 55.803 -0.161 0.000 0.838 19 Q CB -0.072 28.534 28.738 -0.220 0.000 0.899 19 Q HN 0.478 nan 8.270 nan 0.000 0.423 20 I N -1.731 118.603 120.570 -0.392 0.000 2.928 20 I HA -0.050 4.120 4.170 0.001 0.000 0.266 20 I C 1.834 177.861 176.117 -0.151 0.000 1.234 20 I CA 1.479 62.573 61.300 -0.343 0.000 1.483 20 I CB -0.339 37.356 38.000 -0.509 0.000 1.097 20 I HN 0.143 nan 8.210 nan 0.000 0.455 21 T N -2.649 111.851 114.554 -0.090 0.000 3.023 21 T HA 0.344 4.694 4.350 0.001 0.000 0.249 21 T C 1.720 176.414 174.700 -0.010 0.000 1.050 21 T CA 0.586 62.672 62.100 -0.024 0.000 1.088 21 T CB 0.067 68.943 68.868 0.014 0.000 0.946 21 T HN 0.620 nan 8.240 nan 0.000 0.480 22 G N 2.997 111.788 108.800 -0.016 0.000 2.153 22 G HA2 -0.396 3.564 3.960 0.001 0.000 0.252 22 G HA3 -0.396 3.564 3.960 0.001 0.000 0.252 22 G C 1.015 175.909 174.900 -0.010 0.000 0.994 22 G CA 0.715 45.826 45.100 0.017 0.000 0.698 22 G HN 0.860 nan 8.290 nan 0.000 0.521 23 R N 0.588 121.070 120.500 -0.029 0.000 2.159 23 R HA -0.150 4.191 4.340 0.001 0.000 0.237 23 R C 1.952 178.202 176.300 -0.084 0.000 1.131 23 R CA 1.835 57.894 56.100 -0.068 0.000 0.982 23 R CB -0.590 29.682 30.300 -0.046 0.000 0.868 23 R HN 0.538 nan 8.270 nan 0.000 0.453 24 N N 1.230 119.897 118.700 -0.054 0.000 2.412 24 N HA -0.061 4.679 4.740 0.001 0.000 0.184 24 N C 1.271 176.732 175.510 -0.083 0.000 1.101 24 N CA 1.074 54.090 53.050 -0.057 0.000 0.881 24 N CB 0.560 39.033 38.487 -0.023 0.000 0.969 24 N HN 0.382 nan 8.380 nan 0.000 0.459 25 V N -3.104 116.749 119.914 -0.101 0.000 3.337 25 V HA 0.444 4.564 4.120 0.001 0.000 0.307 25 V C 0.485 176.341 176.094 -0.397 0.000 1.505 25 V CA -0.762 61.457 62.300 -0.135 0.000 1.072 25 V CB -0.558 31.265 31.823 -0.000 0.000 0.929 25 V HN -0.084 nan 8.190 nan 0.000 0.455 26 I N 2.203 122.492 120.570 -0.469 0.000 2.598 26 I HA 0.129 4.300 4.170 0.001 0.000 0.284 26 I C 0.586 176.222 176.117 -0.802 0.000 1.140 26 I CA 0.812 61.575 61.300 -0.895 0.000 1.420 26 I CB 0.431 38.172 38.000 -0.432 0.000 1.387 26 I HN 0.345 nan 8.210 nan 0.000 0.553 27 Q N 4.885 124.016 119.800 -1.115 0.000 2.256 27 Q HA 0.497 4.837 4.340 0.001 0.000 0.254 27 Q C -0.028 175.797 176.000 -0.292 0.000 0.916 27 Q CA -0.837 54.664 55.803 -0.504 0.000 0.932 27 Q CB 1.598 30.150 28.738 -0.310 0.000 1.207 27 Q HN 0.801 nan 8.270 nan 0.000 0.426 28 A N 2.242 124.953 122.820 -0.183 0.000 2.524 28 A HA 0.339 4.659 4.320 0.001 0.000 0.271 28 A C 1.164 178.711 177.584 -0.061 0.000 1.097 28 A CA 0.846 52.817 52.037 -0.110 0.000 0.791 28 A CB -1.054 17.893 19.000 -0.087 0.000 1.028 28 A HN 1.038 nan 8.150 nan 0.000 0.518 29 G N 2.077 110.853 108.800 -0.040 0.000 2.143 29 G HA2 -0.221 3.739 3.960 0.001 0.000 0.248 29 G HA3 -0.221 3.739 3.960 0.001 0.000 0.248 29 G C 0.014 174.929 174.900 0.025 0.000 0.991 29 G CA 0.300 45.395 45.100 -0.008 0.000 0.689 29 G HN 1.029 nan 8.290 nan 0.000 0.522 30 D N 0.703 121.139 120.400 0.060 0.000 2.312 30 D HA 0.306 4.946 4.640 0.001 0.000 0.252 30 D C -0.238 176.138 176.300 0.126 0.000 1.150 30 D CA -1.307 52.771 54.000 0.130 0.000 0.870 30 D CB 1.586 42.554 40.800 0.279 0.000 1.153 30 D HN 0.167 nan 8.370 nan 0.000 0.457 31 P HA -0.070 nan 4.420 nan 0.000 0.223 31 P C 0.526 177.839 177.300 0.021 0.000 1.151 31 P CA 0.703 63.825 63.100 0.038 0.000 0.787 31 P CB 0.647 32.356 31.700 0.016 0.000 0.788 32 D N -0.820 119.582 120.400 0.003 0.000 2.183 32 D HA -0.016 4.625 4.640 0.001 0.000 0.205 32 D C 1.968 178.185 176.300 -0.138 0.000 0.962 32 D CA 0.740 54.684 54.000 -0.093 0.000 0.849 32 D CB -0.663 40.038 40.800 -0.165 0.000 0.978 32 D HN 0.166 nan 8.370 nan 0.000 0.488 33 F N 2.047 121.980 119.950 -0.029 0.000 2.161 33 F HA -0.163 4.364 4.527 0.001 0.000 0.300 33 F C 2.582 178.361 175.800 -0.035 0.000 1.089 33 F CA 1.018 58.998 58.000 -0.034 0.000 1.282 33 F CB -0.206 38.771 39.000 -0.039 0.000 1.010 33 F HN -0.080 nan 8.300 nan 0.000 0.485 34 A N 0.003 122.907 122.820 0.140 0.000 1.902 34 A HA -0.204 4.116 4.320 0.001 0.000 0.217 34 A C 2.134 179.735 177.584 0.027 0.000 1.181 34 A CA 1.656 53.732 52.037 0.065 0.000 0.623 34 A CB -0.512 18.512 19.000 0.041 0.000 0.818 34 A HN 0.337 nan 8.150 nan 0.000 0.443 35 K N -0.437 119.965 120.400 0.003 0.000 2.296 35 K HA 0.136 4.457 4.320 0.001 0.000 0.200 35 K C 2.191 178.775 176.600 -0.026 0.000 1.048 35 K CA 0.713 56.989 56.287 -0.018 0.000 0.966 35 K CB -0.176 32.303 32.500 -0.034 0.000 0.754 35 K HN 0.434 nan 8.250 nan 0.000 0.466 36 A N 1.757 124.558 122.820 -0.033 0.000 1.873 36 A HA -0.124 4.197 4.320 0.001 0.000 0.215 36 A C 2.029 179.613 177.584 0.001 0.000 1.186 36 A CA 1.027 53.043 52.037 -0.035 0.000 0.616 36 A CB -0.338 18.620 19.000 -0.070 0.000 0.823 36 A HN 0.059 nan 8.150 nan 0.000 0.442 37 I N 0.358 120.945 120.570 0.028 0.000 2.208 37 I HA -0.196 3.975 4.170 0.001 0.000 0.245 37 I C 2.499 178.626 176.117 0.017 0.000 1.097 37 I CA 2.049 63.366 61.300 0.027 0.000 1.363 37 I CB -1.968 36.050 38.000 0.030 0.000 1.051 37 I HN 0.246 nan 8.210 nan 0.000 0.413 38 T N 1.374 115.934 114.554 0.010 0.000 2.746 38 T HA -0.124 4.226 4.350 0.001 0.000 0.267 38 T C 2.061 176.762 174.700 0.001 0.000 1.039 38 T CA 1.581 63.684 62.100 0.006 0.000 1.142 38 T CB -0.295 68.573 68.868 0.000 0.000 0.866 38 T HN 0.468 nan 8.240 nan 0.000 0.444 39 A N 1.116 123.931 122.820 -0.007 0.000 1.902 39 A HA -0.026 4.294 4.320 0.001 0.000 0.217 39 A C 2.256 179.838 177.584 -0.004 0.000 1.181 39 A CA 1.384 53.413 52.037 -0.013 0.000 0.623 39 A CB -0.826 18.159 19.000 -0.026 0.000 0.818 39 A HN 0.441 nan 8.150 nan 0.000 0.443 40 L N 0.341 121.566 121.223 0.005 0.000 2.017 40 L HA -0.205 4.135 4.340 0.001 0.000 0.208 40 L C 1.995 178.882 176.870 0.028 0.000 1.073 40 L CA 2.293 57.143 54.840 0.018 0.000 0.745 40 L CB -0.586 41.490 42.059 0.027 0.000 0.894 40 L HN 0.341 nan 8.230 nan 0.000 0.432 41 N N 0.299 119.015 118.700 0.028 0.000 2.069 41 N HA -0.192 4.549 4.740 0.001 0.000 0.191 41 N C 1.584 177.109 175.510 0.026 0.000 1.031 41 N CA 1.657 54.728 53.050 0.034 0.000 0.852 41 N CB -0.744 37.761 38.487 0.030 0.000 1.018 41 N HN 0.463 nan 8.380 nan 0.000 0.423 42 N N 0.965 119.673 118.700 0.014 0.000 2.142 42 N HA -0.127 4.613 4.740 0.001 0.000 0.186 42 N C 1.714 177.225 175.510 0.002 0.000 1.023 42 N CA 0.812 53.866 53.050 0.007 0.000 0.852 42 N CB -0.246 38.239 38.487 -0.002 0.000 0.998 42 N HN 0.248 nan 8.380 nan 0.000 0.424 43 K N 1.530 121.928 120.400 -0.002 0.000 2.057 43 K HA 0.064 4.384 4.320 0.001 0.000 0.207 43 K C 1.801 178.400 176.600 -0.002 0.000 1.049 43 K CA 1.325 57.604 56.287 -0.013 0.000 0.931 43 K CB -0.554 31.935 32.500 -0.018 0.000 0.714 43 K HN 0.084 nan 8.250 nan 0.000 0.440 44 A N 0.698 123.532 122.820 0.023 0.000 1.858 44 A HA -0.023 4.298 4.320 0.001 0.000 0.216 44 A C 2.434 180.049 177.584 0.051 0.000 1.190 44 A CA 2.125 54.191 52.037 0.048 0.000 0.617 44 A CB -1.277 17.766 19.000 0.072 0.000 0.827 44 A HN 0.439 nan 8.150 nan 0.000 0.443 45 A N -0.088 122.758 122.820 0.043 0.000 1.908 45 A HA -0.242 4.079 4.320 0.001 0.000 0.218 45 A C 1.834 179.440 177.584 0.037 0.000 1.181 45 A CA 2.351 54.414 52.037 0.042 0.000 0.627 45 A CB -0.792 18.228 19.000 0.033 0.000 0.818 45 A HN 0.568 nan 8.150 nan 0.000 0.445 46 D N -0.485 119.925 120.400 0.017 0.000 2.092 46 D HA -0.120 4.521 4.640 0.001 0.000 0.193 46 D C 2.172 178.477 176.300 0.008 0.000 0.994 46 D CA 1.867 55.868 54.000 0.002 0.000 0.828 46 D CB -0.149 40.636 40.800 -0.024 0.000 0.963 46 D HN 0.333 nan 8.370 nan 0.000 0.450 47 S N -0.529 115.168 115.700 -0.004 0.000 2.353 47 S HA -0.126 4.344 4.470 0.001 0.000 0.222 47 S C 2.148 176.883 174.600 0.225 0.000 1.035 47 S CA 0.901 59.110 58.200 0.014 0.000 1.025 47 S CB -0.433 62.754 63.200 -0.022 0.000 0.902 47 S HN 0.306 nan 8.310 nan 0.000 0.440 48 L N 1.281 122.602 121.223 0.162 0.000 2.043 48 L HA -0.211 4.129 4.340 0.001 0.000 0.212 48 L C 2.790 179.726 176.870 0.111 0.000 1.075 48 L CA 1.298 56.220 54.840 0.137 0.000 0.752 48 L CB -0.789 41.323 42.059 0.087 0.000 0.891 48 L HN 0.337 nan 8.230 nan 0.000 0.432 49 A N 0.094 122.965 122.820 0.085 0.000 1.986 49 A HA -0.229 4.091 4.320 0.001 0.000 0.220 49 A C 2.087 179.723 177.584 0.087 0.000 1.171 49 A CA 1.802 53.879 52.037 0.066 0.000 0.640 49 A CB -0.357 18.669 19.000 0.045 0.000 0.811 49 A HN 0.422 nan 8.150 nan 0.000 0.451 50 K N -0.589 119.899 120.400 0.146 0.000 2.410 50 K HA 0.350 4.670 4.320 0.001 0.000 0.200 50 K C -0.311 176.451 176.600 0.270 0.000 1.023 50 K CA -0.337 56.063 56.287 0.189 0.000 1.149 50 K CB 0.092 32.687 32.500 0.159 0.000 0.859 50 K HN 0.386 nan 8.250 nan 0.000 0.514 51 L N 1.969 123.292 121.223 0.167 0.000 2.485 51 L HA -0.005 4.336 4.340 0.001 0.000 0.275 51 L C 0.410 177.242 176.870 -0.062 0.000 1.207 51 L CA -0.047 54.758 54.840 -0.059 0.000 0.855 51 L CB 0.327 42.315 42.059 -0.120 0.000 1.114 51 L HN 0.141 nan 8.230 nan 0.000 0.485 52 D N 2.732 123.052 120.400 -0.133 0.000 2.374 52 D HA 0.170 4.810 4.640 0.001 0.000 0.240 52 D C 0.518 176.767 176.300 -0.085 0.000 1.229 52 D CA -0.013 53.938 54.000 -0.081 0.000 0.895 52 D CB 1.651 42.399 40.800 -0.085 0.000 1.046 52 D HN 0.584 nan 8.370 nan 0.000 0.498 53 A N 3.501 126.290 122.820 -0.052 0.000 2.218 53 A HA 0.367 4.687 4.320 0.001 0.000 0.209 53 A C 1.206 178.767 177.584 -0.038 0.000 1.168 53 A CA 0.319 52.328 52.037 -0.047 0.000 0.804 53 A CB -0.043 18.940 19.000 -0.029 0.000 0.834 53 A HN 0.611 nan 8.150 nan 0.000 0.482 54 A N 0.285 123.086 122.820 -0.033 0.000 2.483 54 A HA 0.516 4.837 4.320 0.001 0.000 0.238 54 A C 0.844 178.413 177.584 -0.025 0.000 1.070 54 A CA 0.206 52.229 52.037 -0.023 0.000 0.770 54 A CB -0.243 18.747 19.000 -0.017 0.000 1.008 54 A HN 1.324 nan 8.150 nan 0.000 0.497 55 A N 1.459 124.268 122.820 -0.018 0.000 2.462 55 A HA 0.497 4.817 4.320 0.001 0.000 0.243 55 A C 1.498 179.074 177.584 -0.014 0.000 1.076 55 A CA 0.439 52.466 52.037 -0.016 0.000 0.773 55 A CB -0.668 18.326 19.000 -0.011 0.000 1.010 55 A HN 2.742 nan 8.150 nan 0.000 0.493 56 G N 1.936 110.728 108.800 -0.014 0.000 2.421 56 G HA2 -0.297 3.663 3.960 0.001 0.000 0.300 56 G HA3 -0.297 3.663 3.960 0.001 0.000 0.300 56 G C 0.364 175.258 174.900 -0.010 0.000 0.974 56 G CA 0.756 45.851 45.100 -0.009 0.000 1.062 56 G HN 1.343 nan 8.290 nan 0.000 0.514 57 R N -1.278 119.211 120.500 -0.019 0.000 2.734 57 R HA 0.436 4.777 4.340 0.001 0.000 0.266 57 R C 1.191 177.483 176.300 -0.013 0.000 1.044 57 R CA 0.471 56.558 56.100 -0.022 0.000 1.128 57 R CB 0.219 30.494 30.300 -0.043 0.000 1.010 57 R HN 0.454 nan 8.270 nan 0.000 0.461 58 T N -2.461 112.090 114.554 -0.005 0.000 3.044 58 T HA 0.143 4.494 4.350 0.001 0.000 0.260 58 T C 0.255 174.960 174.700 0.009 0.000 1.019 58 T CA 0.031 62.136 62.100 0.008 0.000 0.921 58 T CB 0.047 68.927 68.868 0.019 0.000 1.053 58 T HN 0.679 nan 8.240 nan 0.000 0.533 59 S N -0.733 114.961 115.700 -0.010 0.000 2.661 59 S HA 0.691 5.161 4.470 0.001 0.000 0.285 59 S C 0.469 175.022 174.600 -0.078 0.000 1.138 59 S CA -0.602 57.589 58.200 -0.016 0.000 0.855 59 S CB 1.772 64.980 63.200 0.014 0.000 1.136 59 S HN -0.097 nan 8.310 nan 0.000 0.484 60 V N -0.444 119.395 119.914 -0.125 0.000 2.795 60 V HA 0.361 4.482 4.120 0.001 0.000 0.243 60 V C -0.520 175.273 176.094 -0.502 0.000 1.069 60 V CA 0.772 62.869 62.300 -0.337 0.000 1.089 60 V CB -0.522 31.042 31.823 -0.431 0.000 0.756 60 V HN 0.753 nan 8.190 nan 0.000 0.471 61 F N 0.187 120.101 119.950 -0.060 0.000 2.482 61 F HA 0.340 4.867 4.527 0.001 0.000 0.331 61 F C 1.529 177.311 175.800 -0.029 0.000 1.115 61 F CA -0.272 57.702 58.000 -0.045 0.000 0.955 61 F CB 1.632 40.602 39.000 -0.050 0.000 1.136 61 F HN -0.065 nan 8.300 nan 0.000 0.452 62 T N -3.251 111.396 114.554 0.156 0.000 2.977 62 T HA -0.177 4.173 4.350 0.001 0.000 0.271 62 T C 0.857 175.603 174.700 0.076 0.000 1.105 62 T CA 1.446 63.596 62.100 0.083 0.000 1.116 62 T CB -0.324 68.579 68.868 0.057 0.000 0.878 62 T HN 0.637 nan 8.240 nan 0.000 0.509 63 D N 0.555 121.009 120.400 0.090 0.000 2.368 63 D HA 0.158 4.799 4.640 0.001 0.000 0.218 63 D C 0.125 176.450 176.300 0.042 0.000 1.112 63 D CA -0.349 53.680 54.000 0.049 0.000 0.834 63 D CB -0.218 40.595 40.800 0.022 0.000 0.953 63 D HN 0.406 nan 8.370 nan 0.000 0.505 64 L N 0.617 121.885 121.223 0.075 0.000 2.406 64 L HA 0.280 4.620 4.340 0.001 0.000 0.270 64 L C -0.271 176.638 176.870 0.065 0.000 0.982 64 L CA -0.787 54.089 54.840 0.061 0.000 0.843 64 L CB 2.219 44.318 42.059 0.066 0.000 1.225 64 L HN -0.158 nan 8.230 nan 0.000 0.412 65 S N 2.881 118.609 115.700 0.047 0.000 2.474 65 S HA 0.362 4.833 4.470 0.001 0.000 0.276 65 S C 1.090 175.722 174.600 0.052 0.000 1.227 65 S CA -0.579 57.651 58.200 0.050 0.000 1.050 65 S CB 0.602 63.831 63.200 0.048 0.000 0.939 65 S HN 0.611 nan 8.310 nan 0.000 0.490 66 L N 4.127 125.387 121.223 0.061 0.000 2.551 66 L HA 0.056 4.396 4.340 0.001 0.000 0.228 66 L C 2.151 179.085 176.870 0.106 0.000 1.153 66 L CA 0.670 55.555 54.840 0.075 0.000 0.851 66 L CB -0.440 41.670 42.059 0.085 0.000 0.959 66 L HN 0.798 nan 8.230 nan 0.000 0.451 67 A N -0.459 122.421 122.820 0.100 0.000 2.308 67 A HA 0.105 4.426 4.320 0.001 0.000 0.217 67 A C 0.663 178.319 177.584 0.121 0.000 1.216 67 A CA 0.038 52.151 52.037 0.127 0.000 0.864 67 A CB 0.054 19.117 19.000 0.105 0.000 0.902 67 A HN 0.185 nan 8.150 nan 0.000 0.499 68 K N 0.833 121.284 120.400 0.085 0.000 2.339 68 K HA 0.259 4.580 4.320 0.001 0.000 0.264 68 K C -0.349 176.268 176.600 0.028 0.000 0.986 68 K CA 0.055 56.384 56.287 0.070 0.000 0.866 68 K CB 1.500 34.030 32.500 0.050 0.000 1.103 68 K HN 0.374 nan 8.250 nan 0.000 0.441 69 D N 2.536 122.953 120.400 0.028 0.000 2.149 69 D HA -0.255 4.385 4.640 0.001 0.000 0.198 69 D C 1.535 177.756 176.300 -0.132 0.000 0.990 69 D CA 1.354 55.279 54.000 -0.125 0.000 0.839 69 D CB 0.064 40.802 40.800 -0.103 0.000 0.948 69 D HN 0.468 nan 8.370 nan 0.000 0.460 70 A N 0.397 123.191 122.820 -0.043 0.000 1.969 70 A HA -0.176 4.145 4.320 0.001 0.000 0.218 70 A C 2.082 179.643 177.584 -0.038 0.000 1.169 70 A CA 1.413 53.431 52.037 -0.032 0.000 0.635 70 A CB -0.472 18.521 19.000 -0.012 0.000 0.810 70 A HN 0.346 nan 8.150 nan 0.000 0.445 71 E N -1.047 119.135 120.200 -0.030 0.000 2.318 71 E HA -0.022 4.329 4.350 0.001 0.000 0.193 71 E C 1.937 178.525 176.600 -0.021 0.000 0.998 71 E CA 0.587 56.974 56.400 -0.021 0.000 0.859 71 E CB -0.202 29.498 29.700 0.000 0.000 0.812 71 E HN 0.747 nan 8.360 nan 0.000 0.492 72 M N 1.069 120.641 119.600 -0.047 0.000 2.086 72 M HA -0.179 4.302 4.480 0.001 0.000 0.261 72 M C 2.143 178.427 176.300 -0.027 0.000 1.067 72 M CA 1.460 56.730 55.300 -0.050 0.000 1.116 72 M CB -0.001 32.493 32.600 -0.177 0.000 1.348 72 M HN -0.020 nan 8.290 nan 0.000 0.407 73 V N 0.638 120.487 119.914 -0.108 0.000 2.255 73 V HA -0.302 3.818 4.120 0.001 0.000 0.247 73 V C 2.333 178.421 176.094 -0.010 0.000 1.051 73 V CA 2.527 64.778 62.300 -0.081 0.000 1.018 73 V CB -1.431 30.363 31.823 -0.049 0.000 0.641 73 V HN 0.591 nan 8.190 nan 0.000 0.445 74 T N -0.561 113.975 114.554 -0.029 0.000 2.737 74 T HA -0.240 4.110 4.350 0.001 0.000 0.269 74 T C 1.909 176.558 174.700 -0.084 0.000 1.040 74 T CA 2.090 64.153 62.100 -0.061 0.000 1.142 74 T CB -0.470 68.347 68.868 -0.085 0.000 0.861 74 T HN 0.573 nan 8.240 nan 0.000 0.456 75 T N 0.806 115.341 114.554 -0.031 0.000 2.684 75 T HA -0.116 4.235 4.350 0.001 0.000 0.267 75 T C 1.626 176.310 174.700 -0.028 0.000 1.036 75 T CA 1.348 63.465 62.100 0.028 0.000 1.148 75 T CB -0.510 68.371 68.868 0.022 0.000 0.863 75 T HN 0.479 nan 8.240 nan 0.000 0.436 76 Y N 1.529 121.790 120.300 -0.064 0.000 2.293 76 Y HA -0.125 4.425 4.550 0.001 0.000 0.291 76 Y C 3.051 178.908 175.900 -0.072 0.000 1.137 76 Y CA 1.373 59.412 58.100 -0.102 0.000 1.202 76 Y CB -0.592 37.735 38.460 -0.221 0.000 0.990 76 Y HN 0.352 nan 8.280 nan 0.000 0.537 77 T N -2.121 112.468 114.554 0.058 0.000 2.904 77 T HA -0.094 4.257 4.350 0.001 0.000 0.267 77 T C 1.846 176.538 174.700 -0.013 0.000 1.059 77 T CA 0.825 62.936 62.100 0.017 0.000 1.137 77 T CB -0.218 68.648 68.868 -0.004 0.000 0.879 77 T HN 0.233 nan 8.240 nan 0.000 0.467 78 R N 0.776 121.233 120.500 -0.072 0.000 2.081 78 R HA 0.124 4.464 4.340 0.001 0.000 0.235 78 R C 2.512 178.834 176.300 0.037 0.000 1.131 78 R CA 1.243 57.275 56.100 -0.114 0.000 0.960 78 R CB -0.663 29.356 30.300 -0.468 0.000 0.856 78 R HN 0.393 nan 8.270 nan 0.000 0.436 79 L N 0.495 121.770 121.223 0.086 0.000 2.056 79 L HA -0.160 4.181 4.340 0.001 0.000 0.207 79 L C 2.645 179.552 176.870 0.062 0.000 1.078 79 L CA 1.518 56.406 54.840 0.080 0.000 0.749 79 L CB -0.526 41.525 42.059 -0.012 0.000 0.901 79 L HN 0.289 nan 8.230 nan 0.000 0.433 80 S N -1.313 114.427 115.700 0.067 0.000 2.406 80 S HA -0.205 4.266 4.470 0.001 0.000 0.228 80 S C 1.967 176.616 174.600 0.080 0.000 1.020 80 S CA 0.545 58.794 58.200 0.082 0.000 0.965 80 S CB -0.298 62.956 63.200 0.091 0.000 0.798 80 S HN 0.378 nan 8.310 nan 0.000 0.488 81 Q N 1.306 121.140 119.800 0.058 0.000 2.084 81 Q HA -0.020 4.321 4.340 0.001 0.000 0.202 81 Q C 2.168 178.219 176.000 0.086 0.000 0.978 81 Q CA 1.462 57.297 55.803 0.054 0.000 0.844 81 Q CB -0.434 28.315 28.738 0.019 0.000 0.898 81 Q HN 0.658 nan 8.270 nan 0.000 0.426 82 L N 0.037 121.316 121.223 0.093 0.000 2.093 82 L HA -0.151 4.189 4.340 0.001 0.000 0.208 82 L C 2.495 179.467 176.870 0.170 0.000 1.085 82 L CA 1.113 56.026 54.840 0.122 0.000 0.755 82 L CB -0.478 41.648 42.059 0.111 0.000 0.904 82 L HN 0.169 nan 8.230 nan 0.000 0.435 83 A N -0.911 121.996 122.820 0.146 0.000 1.968 83 A HA -0.150 4.170 4.320 0.001 0.000 0.217 83 A C 2.321 180.086 177.584 0.303 0.000 1.169 83 A CA 1.932 54.094 52.037 0.208 0.000 0.638 83 A CB -0.720 18.351 19.000 0.117 0.000 0.812 83 A HN 0.356 nan 8.150 nan 0.000 0.446 84 T N 0.442 115.117 114.554 0.201 0.000 2.684 84 T HA -0.077 4.273 4.350 0.001 0.000 0.267 84 T C 2.246 177.060 174.700 0.190 0.000 1.036 84 T CA 1.712 63.914 62.100 0.170 0.000 1.148 84 T CB -0.440 68.485 68.868 0.095 0.000 0.863 84 T HN 0.591 nan 8.240 nan 0.000 0.436 85 A N 0.531 123.465 122.820 0.189 0.000 1.877 85 A HA -0.112 4.209 4.320 0.001 0.000 0.216 85 A C 2.057 179.795 177.584 0.257 0.000 1.186 85 A CA 1.659 53.806 52.037 0.184 0.000 0.620 85 A CB -1.326 17.767 19.000 0.155 0.000 0.822 85 A HN 0.722 nan 8.150 nan 0.000 0.443 86 W N 0.808 122.172 121.300 0.107 0.000 2.325 86 W HA -0.204 4.457 4.660 0.001 0.000 0.299 86 W C 2.055 178.651 176.519 0.129 0.000 1.215 86 W CA 2.356 59.749 57.345 0.080 0.000 1.244 86 W CB -0.008 29.466 29.460 0.024 0.000 1.140 86 W HN 0.325 nan 8.180 nan 0.000 0.523 87 A N -0.798 122.133 122.820 0.186 0.000 2.251 87 A HA 0.165 4.485 4.320 0.001 0.000 0.209 87 A C 0.672 178.398 177.584 0.236 0.000 1.187 87 A CA 0.883 52.977 52.037 0.095 0.000 0.823 87 A CB -0.556 18.588 19.000 0.241 0.000 0.846 87 A HN 0.051 nan 8.150 nan 0.000 0.486 88 T N 2.919 117.617 114.554 0.240 0.000 2.753 88 T HA 0.413 4.763 4.350 0.001 0.000 0.297 88 T C -2.798 171.722 174.700 -0.301 0.000 0.981 88 T CA -1.132 60.981 62.100 0.022 0.000 0.956 88 T CB 1.149 70.038 68.868 0.036 0.000 0.936 88 T HN 0.020 nan 8.240 nan 0.000 0.463 89 P HA -0.020 nan 4.420 nan 0.000 0.263 89 P C 1.022 177.981 177.300 -0.567 0.000 1.175 89 P CA 1.006 63.409 63.100 -1.160 0.000 0.761 89 P CB 0.258 31.543 31.700 -0.692 0.000 0.794 90 T N -1.120 113.144 114.554 -0.483 0.000 6.974 90 T HA -0.285 4.066 4.350 0.001 0.000 0.287 90 T C 0.429 175.084 174.700 -0.076 0.000 2.146 90 T CA 0.708 62.692 62.100 -0.193 0.000 3.451 90 T CB -2.345 66.434 68.868 -0.148 0.000 1.630 90 T HN 0.654 nan 8.240 nan 0.000 1.173 91 A N 0.926 123.718 122.820 -0.046 0.000 2.445 91 A HA 0.830 5.150 4.320 0.001 0.000 0.242 91 A C 1.977 179.615 177.584 0.091 0.000 1.075 91 A CA 0.771 52.836 52.037 0.047 0.000 0.777 91 A CB -0.028 19.029 19.000 0.095 0.000 1.013 91 A HN 1.631 nan 8.150 nan 0.000 0.493 92 A N 1.425 124.291 122.820 0.076 0.000 1.948 92 A HA -0.099 4.222 4.320 0.001 0.000 0.220 92 A C 1.707 179.356 177.584 0.108 0.000 1.177 92 A CA 2.433 54.518 52.037 0.079 0.000 0.636 92 A CB -0.995 18.042 19.000 0.061 0.000 0.815 92 A HN 1.940 nan 8.150 nan 0.000 0.449 93 V N -4.099 115.894 119.914 0.133 0.000 3.514 93 V HA 0.381 4.501 4.120 0.001 0.000 0.301 93 V C 0.630 176.814 176.094 0.150 0.000 1.346 93 V CA -0.615 61.777 62.300 0.153 0.000 1.156 93 V CB -1.402 30.526 31.823 0.174 0.000 1.029 93 V HN 0.322 nan 8.190 nan 0.000 0.428 94 F N 3.297 123.225 119.950 -0.037 0.000 2.602 94 F HA 0.517 5.045 4.527 0.001 0.000 0.385 94 F C 1.469 177.117 175.800 -0.253 0.000 1.063 94 F CA 0.805 58.692 58.000 -0.189 0.000 1.233 94 F CB 0.171 39.075 39.000 -0.159 0.000 1.067 94 F HN 0.468 nan 8.300 nan 0.000 0.564 95 G N 4.272 112.245 108.800 -1.378 0.000 2.187 95 G HA2 -0.336 3.624 3.960 0.001 0.000 0.261 95 G HA3 -0.336 3.624 3.960 0.001 0.000 0.261 95 G C 0.170 174.973 174.900 -0.161 0.000 1.000 95 G CA 0.356 44.828 45.100 -1.046 0.000 0.718 95 G HN 0.907 nan 8.290 nan 0.000 0.519 96 D N 0.501 120.955 120.400 0.091 0.000 2.342 96 D HA 0.455 5.095 4.640 0.001 0.000 0.260 96 D C 1.684 178.132 176.300 0.248 0.000 1.278 96 D CA 0.450 54.560 54.000 0.183 0.000 0.910 96 D CB 0.730 41.629 40.800 0.166 0.000 1.079 96 D HN 0.310 nan 8.370 nan 0.000 0.496 97 A N 4.275 127.186 122.820 0.152 0.000 1.948 97 A HA -0.186 4.134 4.320 0.001 0.000 0.220 97 A C 2.120 179.730 177.584 0.043 0.000 1.177 97 A CA 1.975 54.072 52.037 0.100 0.000 0.636 97 A CB -0.344 18.693 19.000 0.062 0.000 0.815 97 A HN 0.668 nan 8.150 nan 0.000 0.449 98 A N -0.800 122.046 122.820 0.044 0.000 1.898 98 A HA 0.068 4.388 4.320 0.001 0.000 0.216 98 A C 2.232 179.821 177.584 0.007 0.000 1.181 98 A CA 1.604 53.651 52.037 0.018 0.000 0.620 98 A CB -0.874 18.140 19.000 0.022 0.000 0.819 98 A HN 0.373 nan 8.150 nan 0.000 0.442 99 V N -0.019 119.922 119.914 0.044 0.000 2.295 99 V HA -0.249 3.872 4.120 0.001 0.000 0.246 99 V C 2.519 178.573 176.094 -0.067 0.000 1.049 99 V CA 2.022 64.343 62.300 0.036 0.000 1.024 99 V CB -0.848 31.052 31.823 0.128 0.000 0.648 99 V HN 0.624 nan 8.190 nan 0.000 0.447 100 L N 1.097 122.232 121.223 -0.147 0.000 2.013 100 L HA -0.162 4.179 4.340 0.001 0.000 0.212 100 L C 2.452 179.175 176.870 -0.246 0.000 1.073 100 L CA 2.526 57.115 54.840 -0.418 0.000 0.753 100 L CB -1.045 40.681 42.059 -0.555 0.000 0.890 100 L HN 0.226 nan 8.230 nan 0.000 0.432 101 A N -0.385 122.352 122.820 -0.138 0.000 1.917 101 A HA -0.174 4.147 4.320 0.001 0.000 0.219 101 A C 2.459 179.982 177.584 -0.102 0.000 1.182 101 A CA 2.221 54.197 52.037 -0.101 0.000 0.633 101 A CB -1.294 17.670 19.000 -0.060 0.000 0.819 101 A HN 0.640 nan 8.150 nan 0.000 0.448 102 A N -0.381 122.382 122.820 -0.095 0.000 1.969 102 A HA 0.000 4.321 4.320 0.001 0.000 0.218 102 A C 2.096 179.602 177.584 -0.130 0.000 1.169 102 A CA 1.348 53.322 52.037 -0.104 0.000 0.635 102 A CB -0.561 18.390 19.000 -0.082 0.000 0.810 102 A HN 0.510 nan 8.150 nan 0.000 0.445 103 I N -0.554 119.939 120.570 -0.128 0.000 2.179 103 I HA -0.274 3.896 4.170 0.001 0.000 0.242 103 I C 2.474 178.514 176.117 -0.129 0.000 1.088 103 I CA 1.602 62.824 61.300 -0.130 0.000 1.357 103 I CB -0.261 37.645 38.000 -0.157 0.000 1.051 103 I HN 0.266 nan 8.210 nan 0.000 0.409 104 K N 0.743 121.067 120.400 -0.127 0.000 2.097 104 K HA -0.091 4.230 4.320 0.001 0.000 0.205 104 K C 2.264 178.836 176.600 -0.047 0.000 1.050 104 K CA 1.360 57.602 56.287 -0.075 0.000 0.938 104 K CB -0.191 32.255 32.500 -0.089 0.000 0.718 104 K HN 0.303 nan 8.250 nan 0.000 0.442 105 A N 1.082 123.855 122.820 -0.078 0.000 1.898 105 A HA -0.062 4.259 4.320 0.001 0.000 0.216 105 A C 2.386 179.903 177.584 -0.111 0.000 1.181 105 A CA 1.796 53.787 52.037 -0.076 0.000 0.620 105 A CB -1.143 17.805 19.000 -0.087 0.000 0.819 105 A HN 0.411 nan 8.150 nan 0.000 0.442 106 G N 0.036 108.733 108.800 -0.172 0.000 2.446 106 G HA2 -0.216 3.744 3.960 0.001 0.000 0.217 106 G HA3 -0.216 3.744 3.960 0.001 0.000 0.217 106 G C 1.557 176.309 174.900 -0.247 0.000 1.168 106 G CA 1.171 46.122 45.100 -0.249 0.000 0.771 106 G HN 0.434 nan 8.290 nan 0.000 0.551 107 L N 0.596 121.693 121.223 -0.209 0.000 2.093 107 L HA -0.003 4.338 4.340 0.001 0.000 0.208 107 L C 3.410 180.193 176.870 -0.145 0.000 1.085 107 L CA 0.907 55.584 54.840 -0.270 0.000 0.755 107 L CB -0.383 41.532 42.059 -0.239 0.000 0.904 107 L HN 0.308 nan 8.230 nan 0.000 0.435 108 A N 0.035 122.877 122.820 0.037 0.000 1.877 108 A HA -0.224 4.096 4.320 0.001 0.000 0.216 108 A C 1.927 179.558 177.584 0.079 0.000 1.186 108 A CA 2.067 54.196 52.037 0.153 0.000 0.620 108 A CB -0.489 18.574 19.000 0.106 0.000 0.822 108 A HN 0.345 nan 8.150 nan 0.000 0.443 109 D N -0.102 120.294 120.400 -0.005 0.000 2.149 109 D HA 0.050 4.690 4.640 0.001 0.000 0.201 109 D C 2.227 178.527 176.300 -0.000 0.000 0.972 109 D CA 1.363 55.356 54.000 -0.010 0.000 0.835 109 D CB -0.513 40.254 40.800 -0.056 0.000 0.966 109 D HN 0.398 nan 8.370 nan 0.000 0.476 110 A N 1.171 123.949 122.820 -0.070 0.000 1.940 110 A HA -0.252 4.068 4.320 0.001 0.000 0.219 110 A C 1.983 179.673 177.584 0.177 0.000 1.176 110 A CA 1.728 53.742 52.037 -0.038 0.000 0.631 110 A CB -0.844 17.929 19.000 -0.378 0.000 0.814 110 A HN 0.310 nan 8.150 nan 0.000 0.446 111 N N -1.104 117.707 118.700 0.185 0.000 2.058 111 N HA -0.157 4.583 4.740 0.001 0.000 0.191 111 N C 1.774 177.424 175.510 0.233 0.000 1.037 111 N CA 2.022 55.249 53.050 0.294 0.000 0.848 111 N CB -0.221 38.487 38.487 0.370 0.000 1.021 111 N HN 0.379 nan 8.380 nan 0.000 0.422 112 T N 1.469 116.122 114.554 0.166 0.000 2.708 112 T HA -0.042 4.309 4.350 0.001 0.000 0.266 112 T C 1.967 176.734 174.700 0.111 0.000 1.037 112 T CA 0.998 63.169 62.100 0.118 0.000 1.146 112 T CB -0.112 68.804 68.868 0.081 0.000 0.865 112 T HN 0.180 nan 8.240 nan 0.000 0.435 113 L N -0.791 120.499 121.223 0.111 0.000 2.240 113 L HA 0.090 4.430 4.340 0.001 0.000 0.211 113 L C 2.398 179.359 176.870 0.150 0.000 1.106 113 L CA 0.620 55.522 54.840 0.104 0.000 0.793 113 L CB -0.066 42.040 42.059 0.078 0.000 0.927 113 L HN 0.458 nan 8.230 nan 0.000 0.446 114 C N -2.741 116.687 119.300 0.214 0.000 3.166 114 C HA 0.133 4.594 4.460 0.001 0.000 0.354 114 C C 0.194 175.440 174.990 0.427 0.000 2.030 114 C CA -0.529 58.672 59.018 0.305 0.000 1.866 114 C CB -0.074 27.842 27.740 0.293 0.000 2.020 114 C HN 0.311 nan 8.230 nan 0.000 0.618 115 Y N 4.764 125.267 120.300 0.338 0.000 2.751 115 Y HA 0.549 5.099 4.550 0.001 0.000 0.333 115 Y C -0.118 176.021 175.900 0.398 0.000 1.122 115 Y CA 0.193 58.545 58.100 0.420 0.000 1.367 115 Y CB -0.466 38.150 38.460 0.260 0.000 1.242 115 Y HN 0.730 nan 8.280 nan 0.000 0.505 116 N N 0.268 119.083 118.700 0.192 0.000 2.774 116 N HA 0.179 4.920 4.740 0.001 0.000 0.264 116 N C -0.294 175.094 175.510 -0.203 0.000 1.415 116 N CA -0.657 52.433 53.050 0.067 0.000 0.815 116 N CB 0.478 39.016 38.487 0.084 0.000 1.514 116 N HN 0.195 nan 8.380 nan 0.000 0.523 117 D N -0.898 119.333 120.400 -0.281 0.000 2.378 117 D HA -0.067 4.573 4.640 0.001 0.000 0.227 117 D C 0.394 176.157 176.300 -0.894 0.000 1.012 117 D CA 0.591 54.214 54.000 -0.629 0.000 0.905 117 D CB -0.060 40.569 40.800 -0.285 0.000 0.895 117 D HN 0.584 nan 8.370 nan 0.000 0.532 118 R N -0.900 119.267 120.500 -0.554 0.000 2.437 118 R HA 0.155 4.495 4.340 0.001 0.000 0.257 118 R C 0.182 176.307 176.300 -0.292 0.000 0.927 118 R CA -0.483 55.383 56.100 -0.390 0.000 1.078 118 R CB 0.531 30.721 30.300 -0.183 0.000 1.161 118 R HN -0.113 nan 8.270 nan 0.000 0.529 119 K N 2.171 122.394 120.400 -0.295 0.000 2.201 119 K HA 0.096 4.417 4.320 0.001 0.000 0.278 119 K C -0.626 175.985 176.600 0.017 0.000 1.027 119 K CA -0.240 56.020 56.287 -0.045 0.000 0.909 119 K CB 1.034 33.636 32.500 0.170 0.000 1.062 119 K HN -0.090 nan 8.250 nan 0.000 0.465 120 E N 2.941 123.120 120.200 -0.036 0.000 2.331 120 E HA 0.046 4.397 4.350 0.001 0.000 0.272 120 E C -0.741 175.677 176.600 -0.303 0.000 1.036 120 E CA -0.354 55.997 56.400 -0.081 0.000 0.864 120 E CB 0.665 30.321 29.700 -0.072 0.000 1.035 120 E HN 0.608 nan 8.360 nan 0.000 0.408 121 E N 1.481 121.442 120.200 -0.399 0.000 2.442 121 E HA 0.089 4.439 4.350 0.001 0.000 0.262 121 E C -0.933 175.382 176.600 -0.476 0.000 1.004 121 E CA 0.116 55.944 56.400 -0.953 0.000 0.928 121 E CB 1.131 30.494 29.700 -0.561 0.000 0.937 121 E HN 0.161 nan 8.360 nan 0.000 0.446 122 V N 2.477 122.202 119.914 -0.315 0.000 2.569 122 V HA 0.561 4.681 4.120 0.001 0.000 0.301 122 V C 0.474 176.823 176.094 0.424 0.000 1.044 122 V CA 0.127 62.501 62.300 0.124 0.000 0.874 122 V CB 1.106 33.047 31.823 0.196 0.000 1.002 122 V HN 1.039 nan 8.190 nan 0.000 0.424 123 G N 4.788 113.766 108.800 0.297 0.000 2.499 123 G HA2 -0.212 3.748 3.960 0.001 0.000 0.232 123 G HA3 -0.212 3.748 3.960 0.001 0.000 0.232 123 G C -0.173 174.942 174.900 0.359 0.000 1.251 123 G CA 0.047 45.333 45.100 0.311 0.000 0.917 123 G HN 0.920 nan 8.290 nan 0.000 0.580 124 N N 2.039 120.929 118.700 0.317 0.000 2.438 124 N HA 0.076 4.817 4.740 0.001 0.000 0.267 124 N C 1.766 177.500 175.510 0.374 0.000 1.222 124 N CA 0.316 53.530 53.050 0.274 0.000 0.930 124 N CB -0.029 38.548 38.487 0.150 0.000 1.083 124 N HN 0.737 nan 8.380 nan 0.000 0.476 125 W N 3.784 125.311 121.300 0.377 0.000 2.350 125 W HA -0.143 4.517 4.660 0.001 0.000 0.289 125 W C 1.277 178.038 176.519 0.403 0.000 1.215 125 W CA -0.105 57.500 57.345 0.433 0.000 1.236 125 W CB -1.130 28.585 29.460 0.425 0.000 1.130 125 W HN 0.668 nan 8.180 nan 0.000 0.541 126 W N 2.788 123.444 121.300 -1.073 0.000 2.363 126 W HA -0.207 4.453 4.660 0.001 0.000 0.296 126 W C 2.632 178.843 176.519 -0.513 0.000 1.212 126 W CA 3.438 60.030 57.345 -1.256 0.000 1.260 126 W CB -0.488 28.348 29.460 -1.041 0.000 1.131 126 W HN -0.215 nan 8.180 nan 0.000 0.530 127 S N -0.239 115.428 115.700 -0.054 0.000 2.370 127 S HA -0.255 4.216 4.470 0.001 0.000 0.226 127 S C 1.252 175.549 174.600 -0.505 0.000 1.033 127 S CA 1.823 59.861 58.200 -0.270 0.000 1.011 127 S CB -0.910 62.071 63.200 -0.364 0.000 0.852 127 S HN 0.491 nan 8.310 nan 0.000 0.457 128 W N 1.661 122.863 121.300 -0.164 0.000 2.418 128 W HA 0.071 4.732 4.660 0.001 0.000 0.292 128 W C 2.324 178.754 176.519 -0.148 0.000 1.213 128 W CA 0.350 57.556 57.345 -0.233 0.000 1.283 128 W CB -0.100 29.197 29.460 -0.271 0.000 1.119 128 W HN 0.334 nan 8.180 nan 0.000 0.542 129 E N -1.258 118.991 120.200 0.082 0.000 2.413 129 E HA 0.129 4.479 4.350 0.001 0.000 0.203 129 E C 1.654 178.156 176.600 -0.163 0.000 0.957 129 E CA 0.504 56.976 56.400 0.120 0.000 0.950 129 E CB 0.381 30.319 29.700 0.398 0.000 0.957 129 E HN 0.298 nan 8.360 nan 0.000 0.497 130 I N -0.631 119.597 120.570 -0.570 0.000 3.878 130 I HA 0.100 4.270 4.170 0.001 0.000 0.273 130 I C 2.248 177.800 176.117 -0.943 0.000 1.165 130 I CA 0.375 61.179 61.300 -0.827 0.000 1.360 130 I CB -0.027 37.191 38.000 -1.305 0.000 1.539 130 I HN 0.052 nan 8.210 nan 0.000 0.447 131 G N 1.365 109.367 108.800 -1.329 0.000 2.553 131 G HA2 -0.219 3.742 3.960 0.001 0.000 0.218 131 G HA3 -0.219 3.742 3.960 0.001 0.000 0.218 131 G C 1.563 176.165 174.900 -0.497 0.000 1.195 131 G CA 1.612 46.235 45.100 -0.796 0.000 0.779 131 G HN 0.180 nan 8.290 nan 0.000 0.577 132 V N 1.887 121.446 119.914 -0.593 0.000 2.283 132 V HA -0.051 4.069 4.120 0.001 0.000 0.243 132 V C 0.376 176.105 176.094 -0.609 0.000 1.039 132 V CA 1.980 63.803 62.300 -0.794 0.000 1.016 132 V CB -1.068 29.847 31.823 -1.514 0.000 0.650 132 V HN 0.252 nan 8.190 nan 0.000 0.449 133 P HA -0.186 nan 4.420 nan 0.000 0.216 133 P C 1.725 178.933 177.300 -0.153 0.000 1.157 133 P CA 1.666 64.650 63.100 -0.193 0.000 0.880 133 P CB -0.110 31.542 31.700 -0.080 0.000 0.791 134 R N -0.788 119.615 120.500 -0.162 0.000 2.081 134 R HA -0.076 4.264 4.340 0.001 0.000 0.235 134 R C 2.296 178.588 176.300 -0.012 0.000 1.131 134 R CA 1.644 57.706 56.100 -0.063 0.000 0.960 134 R CB -1.034 29.231 30.300 -0.058 0.000 0.856 134 R HN 0.173 nan 8.270 nan 0.000 0.436 135 A N 1.009 123.787 122.820 -0.071 0.000 1.897 135 A HA -0.105 4.216 4.320 0.001 0.000 0.215 135 A C 2.042 179.641 177.584 0.025 0.000 1.181 135 A CA 0.792 52.828 52.037 -0.003 0.000 0.620 135 A CB -0.374 18.621 19.000 -0.008 0.000 0.821 135 A HN 0.210 nan 8.150 nan 0.000 0.443 136 L N -0.059 121.115 121.223 -0.080 0.000 2.056 136 L HA 0.005 4.345 4.340 0.001 0.000 0.207 136 L C 2.613 179.508 176.870 0.043 0.000 1.078 136 L CA 2.131 56.944 54.840 -0.045 0.000 0.749 136 L CB -0.975 40.913 42.059 -0.286 0.000 0.901 136 L HN 0.333 nan 8.230 nan 0.000 0.433 137 A N -0.721 122.118 122.820 0.032 0.000 1.908 137 A HA -0.233 4.088 4.320 0.001 0.000 0.218 137 A C 2.013 179.680 177.584 0.139 0.000 1.181 137 A CA 1.967 54.046 52.037 0.070 0.000 0.627 137 A CB -0.853 18.155 19.000 0.014 0.000 0.818 137 A HN 0.535 nan 8.150 nan 0.000 0.445 138 D N -0.086 120.423 120.400 0.183 0.000 2.117 138 D HA -0.029 4.612 4.640 0.001 0.000 0.197 138 D C 2.227 178.667 176.300 0.234 0.000 0.987 138 D CA 1.483 55.662 54.000 0.299 0.000 0.829 138 D CB -0.402 40.568 40.800 0.283 0.000 0.961 138 D HN 0.429 nan 8.370 nan 0.000 0.460 139 A N 0.625 123.545 122.820 0.168 0.000 1.930 139 A HA -0.130 4.190 4.320 0.001 0.000 0.217 139 A C 2.266 179.948 177.584 0.163 0.000 1.175 139 A CA 1.069 53.193 52.037 0.144 0.000 0.627 139 A CB -0.467 18.593 19.000 0.100 0.000 0.815 139 A HN 0.134 nan 8.150 nan 0.000 0.443 140 M N -0.732 118.979 119.600 0.186 0.000 2.080 140 M HA -0.156 4.325 4.480 0.001 0.000 0.260 140 M C 2.152 178.602 176.300 0.250 0.000 1.068 140 M CA 1.596 57.026 55.300 0.216 0.000 1.109 140 M CB -0.607 32.127 32.600 0.223 0.000 1.342 140 M HN 0.262 nan 8.290 nan 0.000 0.405 141 V N 0.857 120.921 119.914 0.251 0.000 2.295 141 V HA -0.250 3.871 4.120 0.001 0.000 0.246 141 V C 2.336 178.607 176.094 0.296 0.000 1.049 141 V CA 1.622 64.086 62.300 0.273 0.000 1.024 141 V CB -0.636 31.355 31.823 0.280 0.000 0.648 141 V HN 0.437 nan 8.190 nan 0.000 0.447 142 L N -0.668 120.726 121.223 0.286 0.000 2.079 142 L HA -0.163 4.177 4.340 0.001 0.000 0.210 142 L C 1.807 178.867 176.870 0.317 0.000 1.081 142 L CA 1.483 56.501 54.840 0.298 0.000 0.752 142 L CB -0.336 41.888 42.059 0.275 0.000 0.896 142 L HN 0.288 nan 8.230 nan 0.000 0.433 143 L N -1.365 119.980 121.223 0.203 0.000 2.848 143 L HA 0.036 4.377 4.340 0.001 0.000 0.240 143 L C 1.656 178.597 176.870 0.117 0.000 1.232 143 L CA -0.152 54.734 54.840 0.076 0.000 1.031 143 L CB -0.415 41.605 42.059 -0.065 0.000 1.338 143 L HN 0.233 nan 8.230 nan 0.000 0.509 144 H N 1.103 120.246 119.070 0.123 0.000 2.423 144 H HA -0.076 4.481 4.556 0.001 0.000 0.297 144 H C 2.144 177.523 175.328 0.085 0.000 1.075 144 H CA 1.542 57.649 56.048 0.099 0.000 1.342 144 H CB 0.515 30.346 29.762 0.114 0.000 1.395 144 H HN 0.362 nan 8.280 nan 0.000 0.530 145 A N 0.078 123.023 122.820 0.207 0.000 2.168 145 A HA -0.051 4.269 4.320 0.001 0.000 0.215 145 A C 1.726 179.345 177.584 0.058 0.000 1.152 145 A CA 1.374 53.498 52.037 0.146 0.000 0.716 145 A CB 0.040 19.160 19.000 0.200 0.000 0.794 145 A HN 0.474 nan 8.150 nan 0.000 0.465 146 E N -0.893 119.316 120.200 0.015 0.000 2.399 146 E HA 0.239 4.589 4.350 0.001 0.000 0.205 146 E C 0.197 176.749 176.600 -0.079 0.000 0.906 146 E CA -0.101 56.276 56.400 -0.039 0.000 0.998 146 E CB 0.006 29.639 29.700 -0.112 0.000 1.002 146 E HN 0.513 nan 8.360 nan 0.000 0.501 147 L N 2.534 123.700 121.223 -0.095 0.000 2.417 147 L HA 0.125 4.466 4.340 0.001 0.000 0.268 147 L C 0.857 177.646 176.870 -0.135 0.000 1.158 147 L CA -0.367 54.412 54.840 -0.101 0.000 0.819 147 L CB 0.794 42.805 42.059 -0.080 0.000 1.112 147 L HN -0.007 nan 8.230 nan 0.000 0.458 148 S N 1.256 116.881 115.700 -0.126 0.000 2.617 148 S HA 0.313 4.783 4.470 0.001 0.000 0.269 148 S C 1.065 175.575 174.600 -0.149 0.000 1.292 148 S CA -0.251 57.876 58.200 -0.122 0.000 1.010 148 S CB 1.575 64.714 63.200 -0.102 0.000 0.944 148 S HN 0.703 nan 8.310 nan 0.000 0.536 149 A N 1.622 124.368 122.820 -0.123 0.000 1.986 149 A HA 0.018 4.339 4.320 0.001 0.000 0.220 149 A C 2.289 179.798 177.584 -0.126 0.000 1.171 149 A CA 1.975 53.944 52.037 -0.113 0.000 0.640 149 A CB -1.563 17.391 19.000 -0.078 0.000 0.811 149 A HN 1.308 nan 8.150 nan 0.000 0.451 150 A N -0.667 122.076 122.820 -0.128 0.000 1.930 150 A HA -0.038 4.282 4.320 0.001 0.000 0.215 150 A C 1.893 179.342 177.584 -0.224 0.000 1.176 150 A CA 1.345 53.300 52.037 -0.138 0.000 0.632 150 A CB -0.364 18.574 19.000 -0.104 0.000 0.819 150 A HN 0.615 nan 8.150 nan 0.000 0.445 151 E N -0.231 119.799 120.200 -0.283 0.000 2.031 151 E HA -0.192 4.159 4.350 0.001 0.000 0.193 151 E C 2.303 178.508 176.600 -0.659 0.000 0.994 151 E CA 1.144 57.211 56.400 -0.555 0.000 0.800 151 E CB -0.183 29.275 29.700 -0.403 0.000 0.752 151 E HN 0.489 nan 8.360 nan 0.000 0.447 152 R N 0.159 120.462 120.500 -0.329 0.000 2.112 152 R HA -0.177 4.164 4.340 0.001 0.000 0.242 152 R C 2.543 178.755 176.300 -0.146 0.000 1.137 152 R CA 2.096 58.090 56.100 -0.177 0.000 0.944 152 R CB -0.675 29.563 30.300 -0.104 0.000 0.857 152 R HN 0.184 nan 8.270 nan 0.000 0.435 153 T N 0.598 115.065 114.554 -0.145 0.000 2.665 153 T HA -0.223 4.128 4.350 0.001 0.000 0.268 153 T C 1.869 176.525 174.700 -0.074 0.000 1.035 153 T CA 1.660 63.706 62.100 -0.090 0.000 1.151 153 T CB -0.331 68.486 68.868 -0.084 0.000 0.862 153 T HN 0.460 nan 8.240 nan 0.000 0.438 154 A N 0.347 123.076 122.820 -0.151 0.000 1.969 154 A HA -0.042 4.278 4.320 0.001 0.000 0.218 154 A C 2.005 179.684 177.584 0.158 0.000 1.169 154 A CA 1.223 53.231 52.037 -0.048 0.000 0.635 154 A CB -0.711 18.235 19.000 -0.090 0.000 0.810 154 A HN 0.557 nan 8.150 nan 0.000 0.445 155 Y N -0.990 119.363 120.300 0.088 0.000 2.314 155 Y HA -0.055 4.495 4.550 0.001 0.000 0.294 155 Y C 2.774 178.751 175.900 0.128 0.000 1.119 155 Y CA -0.301 57.881 58.100 0.137 0.000 1.179 155 Y CB -1.571 36.968 38.460 0.131 0.000 1.025 155 Y HN 0.343 nan 8.280 nan 0.000 0.541 156 C N 0.170 119.594 119.300 0.207 0.000 2.413 156 C HA -0.151 4.310 4.460 0.001 0.000 0.276 156 C C 3.044 178.109 174.990 0.125 0.000 1.248 156 C CA 1.177 60.275 59.018 0.134 0.000 1.742 156 C CB -1.453 26.325 27.740 0.063 0.000 2.017 156 C HN 0.598 nan 8.230 nan 0.000 0.481 157 A N 0.445 123.326 122.820 0.102 0.000 1.898 157 A HA 0.091 4.411 4.320 0.001 0.000 0.216 157 A C 2.375 180.014 177.584 0.093 0.000 1.181 157 A CA 2.016 54.093 52.037 0.066 0.000 0.620 157 A CB -0.913 18.102 19.000 0.026 0.000 0.819 157 A HN 0.565 nan 8.150 nan 0.000 0.442 158 A N 0.097 123.014 122.820 0.161 0.000 1.883 158 A HA -0.120 4.201 4.320 0.001 0.000 0.217 158 A C 2.139 179.900 177.584 0.295 0.000 1.186 158 A CA 1.607 53.754 52.037 0.183 0.000 0.624 158 A CB -0.632 18.559 19.000 0.319 0.000 0.822 158 A HN 0.501 nan 8.150 nan 0.000 0.444 159 I N -0.118 120.657 120.570 0.342 0.000 2.179 159 I HA -0.231 3.940 4.170 0.001 0.000 0.242 159 I C 1.692 177.946 176.117 0.228 0.000 1.088 159 I CA 1.594 63.098 61.300 0.340 0.000 1.357 159 I CB -0.552 37.587 38.000 0.231 0.000 1.051 159 I HN 0.269 nan 8.210 nan 0.000 0.409 160 D N -0.473 120.012 120.400 0.142 0.000 2.219 160 D HA -0.212 4.428 4.640 0.001 0.000 0.205 160 D C 1.907 178.227 176.300 0.034 0.000 0.970 160 D CA 1.186 55.233 54.000 0.078 0.000 0.851 160 D CB -0.398 40.429 40.800 0.046 0.000 0.943 160 D HN 0.457 nan 8.370 nan 0.000 0.488 161 H N -0.171 118.836 119.070 -0.105 0.000 2.321 161 H HA -0.099 4.457 4.556 0.001 0.000 0.300 161 H C 1.684 176.811 175.328 -0.336 0.000 1.087 161 H CA 1.611 57.480 56.048 -0.299 0.000 1.319 161 H CB -0.455 28.999 29.762 -0.513 0.000 1.379 161 H HN 0.082 nan 8.280 nan 0.000 0.501 162 F N -0.705 119.186 119.950 -0.099 0.000 2.367 162 F HA 0.119 4.646 4.527 0.001 0.000 0.298 162 F C 0.653 176.454 175.800 0.000 0.000 1.094 162 F CA 0.331 58.280 58.000 -0.085 0.000 1.409 162 F CB 0.671 39.746 39.000 0.125 0.000 1.064 162 F HN -0.023 nan 8.300 nan 0.000 0.528 163 V N 1.573 121.588 119.914 0.168 0.000 2.462 163 V HA 0.152 4.272 4.120 0.001 0.000 0.257 163 V C -1.756 174.382 176.094 0.074 0.000 0.944 163 V CA -0.938 61.442 62.300 0.133 0.000 0.903 163 V CB 0.752 32.670 31.823 0.159 0.000 1.128 163 V HN -0.086 nan 8.190 nan 0.000 0.486 164 P HA 0.011 nan 4.420 nan 0.000 0.223 164 P C 0.206 177.518 177.300 0.020 0.000 1.151 164 P CA 1.184 64.284 63.100 -0.000 0.000 0.787 164 P CB 0.628 32.301 31.700 -0.044 0.000 0.788 165 D N -0.635 119.795 120.400 0.050 0.000 2.616 165 D HA 0.148 4.788 4.640 0.001 0.000 0.238 165 D C -2.151 174.251 176.300 0.171 0.000 1.354 165 D CA -2.195 51.870 54.000 0.108 0.000 0.970 165 D CB 1.617 42.440 40.800 0.039 0.000 1.369 165 D HN -0.128 nan 8.370 nan 0.000 0.585 166 P HA -0.015 nan 4.420 nan 0.000 0.234 166 P C 0.857 178.304 177.300 0.245 0.000 1.167 166 P CA 0.336 63.552 63.100 0.193 0.000 0.763 166 P CB 0.037 31.825 31.700 0.147 0.000 0.835 167 W N 0.227 121.495 121.300 -0.054 0.000 2.937 167 W HA 0.195 4.856 4.660 0.001 0.000 0.245 167 W C 0.983 177.447 176.519 -0.092 0.000 1.306 167 W CA 0.225 57.519 57.345 -0.085 0.000 1.470 167 W CB -0.811 28.618 29.460 -0.051 0.000 1.132 167 W HN -0.097 nan 8.180 nan 0.000 0.675 168 L N 0.343 121.642 121.223 0.126 0.000 2.309 168 L HA 0.521 4.862 4.340 0.001 0.000 0.261 168 L C -0.065 176.731 176.870 -0.124 0.000 1.021 168 L CA -1.141 53.684 54.840 -0.026 0.000 0.823 168 L CB 1.998 44.052 42.059 -0.009 0.000 1.366 168 L HN -0.172 nan 8.230 nan 0.000 0.423 169 Q N 0.708 120.307 119.800 -0.334 0.000 2.511 169 Q HA 0.757 5.097 4.340 0.001 0.000 0.289 169 Q C -1.243 174.407 176.000 -0.584 0.000 1.021 169 Q CA -0.872 54.614 55.803 -0.528 0.000 0.785 169 Q CB 2.988 31.111 28.738 -1.025 0.000 1.472 169 Q HN 0.534 nan 8.270 nan 0.000 0.411 170 F N -1.446 118.314 119.950 -0.317 0.000 2.184 170 F HA -0.102 4.426 4.527 0.001 0.000 0.318 170 F C -2.533 173.232 175.800 -0.058 0.000 1.112 170 F CA -0.957 56.908 58.000 -0.226 0.000 0.912 170 F CB -0.502 38.325 39.000 -0.288 0.000 4.132 170 F HN 0.570 nan 8.300 nan 0.000 0.139 171 P HA 0.110 nan 4.420 nan 0.000 0.272 171 P C -2.409 174.906 177.300 0.024 0.000 1.223 171 P CA -0.984 62.161 63.100 0.076 0.000 0.784 171 P CB 0.691 32.416 31.700 0.042 0.000 0.923 172 P HA -0.187 nan 4.420 nan 0.000 0.216 172 P C 1.369 178.652 177.300 -0.029 0.000 1.153 172 P CA 2.164 65.246 63.100 -0.030 0.000 0.858 172 P CB -0.343 31.324 31.700 -0.055 0.000 0.789 173 K N -0.211 120.167 120.400 -0.037 0.000 2.520 173 K HA -0.150 4.171 4.320 0.001 0.000 0.197 173 K C 2.040 178.610 176.600 -0.050 0.000 1.043 173 K CA 1.258 57.520 56.287 -0.040 0.000 0.944 173 K CB -0.355 32.119 32.500 -0.042 0.000 0.770 173 K HN 0.063 nan 8.250 nan 0.000 0.480 174 R N 0.549 121.016 120.500 -0.055 0.000 2.279 174 R HA 0.110 4.451 4.340 0.001 0.000 0.195 174 R C -0.370 175.894 176.300 -0.060 0.000 0.905 174 R CA 0.647 56.685 56.100 -0.103 0.000 1.044 174 R CB 0.717 30.884 30.300 -0.221 0.000 1.056 174 R HN 0.329 nan 8.270 nan 0.000 0.535 175 G N 2.341 111.136 108.800 -0.008 0.000 3.402 175 G HA2 -0.192 3.769 3.960 0.001 0.000 0.686 175 G HA3 -0.192 3.769 3.960 0.001 0.000 0.686 175 G C -1.313 173.647 174.900 0.099 0.000 0.983 175 G CA -0.588 44.525 45.100 0.022 0.000 0.821 175 G HN 0.186 nan 8.290 nan 0.000 0.500 176 K N 1.511 121.947 120.400 0.061 0.000 2.234 176 K HA 0.630 4.950 4.320 0.001 0.000 0.282 176 K C 1.096 177.681 176.600 -0.025 0.000 1.039 176 K CA -0.379 55.928 56.287 0.033 0.000 0.928 176 K CB 1.403 33.894 32.500 -0.014 0.000 1.039 176 K HN 0.723 nan 8.250 nan 0.000 0.470 177 I N -1.737 118.743 120.570 -0.148 0.000 2.910 177 I HA 0.358 4.528 4.170 0.001 0.000 0.310 177 I C -0.163 175.822 176.117 -0.220 0.000 1.043 177 I CA -0.865 60.333 61.300 -0.170 0.000 1.053 177 I CB 1.953 39.856 38.000 -0.162 0.000 1.242 177 I HN 0.285 nan 8.210 nan 0.000 0.452 178 T N 3.195 117.666 114.554 -0.139 0.000 2.829 178 T HA 0.122 4.472 4.350 0.001 0.000 0.293 178 T C 0.458 175.048 174.700 -0.185 0.000 0.970 178 T CA -0.060 61.974 62.100 -0.109 0.000 1.168 178 T CB -0.211 68.613 68.868 -0.073 0.000 0.911 178 T HN 0.762 nan 8.240 nan 0.000 0.535 179 S N 2.661 118.257 115.700 -0.174 0.000 2.565 179 S HA 0.556 5.026 4.470 0.001 0.000 0.276 179 S C 0.109 174.623 174.600 -0.145 0.000 1.326 179 S CA -0.920 57.172 58.200 -0.180 0.000 1.045 179 S CB 0.684 63.815 63.200 -0.116 0.000 0.918 179 S HN 0.774 nan 8.310 nan 0.000 0.505 180 V N -0.648 119.200 119.914 -0.110 0.000 3.078 180 V HA 0.951 5.071 4.120 0.001 0.000 0.311 180 V C 0.832 176.903 176.094 -0.038 0.000 1.138 180 V CA -0.149 62.088 62.300 -0.105 0.000 1.007 180 V CB 0.550 32.306 31.823 -0.110 0.000 1.045 180 V HN 1.814 nan 8.190 nan 0.000 0.432 181 G N 2.033 110.825 108.800 -0.013 0.000 2.583 181 G HA2 -0.076 3.884 3.960 0.001 0.000 0.292 181 G HA3 -0.076 3.884 3.960 0.001 0.000 0.292 181 G C 1.171 176.157 174.900 0.142 0.000 1.203 181 G CA 1.580 46.771 45.100 0.151 0.000 0.987 181 G HN 2.314 nan 8.290 nan 0.000 0.554 182 A N -0.421 122.541 122.820 0.237 0.000 1.908 182 A HA -0.148 4.173 4.320 0.001 0.000 0.218 182 A C 2.265 179.960 177.584 0.185 0.000 1.181 182 A CA 2.657 54.822 52.037 0.212 0.000 0.627 182 A CB -0.665 18.555 19.000 0.366 0.000 0.818 182 A HN 0.745 nan 8.150 nan 0.000 0.445 183 N N -0.290 118.531 118.700 0.202 0.000 2.043 183 N HA -0.207 4.533 4.740 0.001 0.000 0.193 183 N C 1.829 177.401 175.510 0.102 0.000 1.037 183 N CA 1.776 54.959 53.050 0.222 0.000 0.851 183 N CB -0.531 38.128 38.487 0.286 0.000 1.027 183 N HN 0.537 nan 8.380 nan 0.000 0.422 184 R N 1.358 121.865 120.500 0.011 0.000 2.103 184 R HA -0.052 4.288 4.340 0.001 0.000 0.242 184 R C 1.946 178.204 176.300 -0.071 0.000 1.142 184 R CA 1.138 57.192 56.100 -0.078 0.000 0.960 184 R CB -0.791 29.398 30.300 -0.185 0.000 0.858 184 R HN 0.062 nan 8.270 nan 0.000 0.439 185 V N 0.962 120.849 119.914 -0.044 0.000 2.295 185 V HA -0.217 3.903 4.120 0.001 0.000 0.246 185 V C 1.788 177.875 176.094 -0.012 0.000 1.049 185 V CA 2.242 64.515 62.300 -0.045 0.000 1.024 185 V CB -0.559 31.237 31.823 -0.045 0.000 0.648 185 V HN 0.356 nan 8.190 nan 0.000 0.447 186 D N -0.039 120.374 120.400 0.022 0.000 2.117 186 D HA -0.084 4.556 4.640 0.001 0.000 0.198 186 D C 2.175 178.461 176.300 -0.023 0.000 0.982 186 D CA 1.090 55.096 54.000 0.009 0.000 0.828 186 D CB -0.150 40.665 40.800 0.025 0.000 0.967 186 D HN 0.325 nan 8.370 nan 0.000 0.464 187 L N 0.142 121.365 121.223 0.001 0.000 2.046 187 L HA -0.194 4.146 4.340 0.001 0.000 0.208 187 L C 2.663 179.537 176.870 0.006 0.000 1.077 187 L CA 0.884 55.733 54.840 0.015 0.000 0.747 187 L CB -0.320 41.774 42.059 0.058 0.000 0.896 187 L HN 0.126 nan 8.230 nan 0.000 0.432 188 C N -0.964 118.328 119.300 -0.014 0.000 2.450 188 C HA -0.147 4.313 4.460 0.001 0.000 0.279 188 C C 2.844 177.814 174.990 -0.034 0.000 1.335 188 C CA 0.641 59.648 59.018 -0.019 0.000 1.749 188 C CB -0.666 27.043 27.740 -0.052 0.000 1.963 188 C HN 0.568 nan 8.230 nan 0.000 0.501 189 Q N 1.099 120.877 119.800 -0.037 0.000 2.050 189 Q HA -0.134 4.206 4.340 0.001 0.000 0.202 189 Q C 2.278 178.223 176.000 -0.091 0.000 0.980 189 Q CA 2.197 57.962 55.803 -0.062 0.000 0.840 189 Q CB -0.515 28.220 28.738 -0.006 0.000 0.898 189 Q HN 0.628 nan 8.270 nan 0.000 0.424 190 G N 1.211 109.977 108.800 -0.057 0.000 2.422 190 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 190 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 190 G C 1.396 176.269 174.900 -0.044 0.000 1.146 190 G CA 0.790 45.857 45.100 -0.055 0.000 0.769 190 G HN 0.351 nan 8.290 nan 0.000 0.547 191 I N 0.638 121.194 120.570 -0.024 0.000 2.500 191 I HA 0.049 4.220 4.170 0.001 0.000 0.252 191 I C 2.677 178.765 176.117 -0.049 0.000 1.142 191 I CA 0.500 61.797 61.300 -0.005 0.000 1.451 191 I CB -0.753 37.271 38.000 0.040 0.000 1.093 191 I HN 0.177 nan 8.210 nan 0.000 0.430 192 I N 0.332 120.846 120.570 -0.092 0.000 2.202 192 I HA -0.253 3.918 4.170 0.001 0.000 0.242 192 I C 2.374 178.359 176.117 -0.220 0.000 1.091 192 I CA 0.969 62.180 61.300 -0.148 0.000 1.368 192 I CB -0.079 37.820 38.000 -0.168 0.000 1.058 192 I HN 0.052 nan 8.210 nan 0.000 0.410 193 I N 0.545 120.942 120.570 -0.289 0.000 2.252 193 I HA -0.237 3.934 4.170 0.001 0.000 0.245 193 I C 2.593 178.616 176.117 -0.157 0.000 1.102 193 I CA 1.287 62.371 61.300 -0.360 0.000 1.385 193 I CB -1.482 36.240 38.000 -0.463 0.000 1.064 193 I HN 0.333 nan 8.210 nan 0.000 0.414 194 R N 1.359 121.808 120.500 -0.085 0.000 2.105 194 R HA -0.140 4.201 4.340 0.001 0.000 0.239 194 R C 2.029 178.306 176.300 -0.039 0.000 1.135 194 R CA 1.902 57.989 56.100 -0.021 0.000 0.967 194 R CB -0.385 29.923 30.300 0.014 0.000 0.861 194 R HN 0.270 nan 8.270 nan 0.000 0.442 195 S N 1.168 116.830 115.700 -0.063 0.000 2.423 195 S HA 0.001 4.471 4.470 0.001 0.000 0.231 195 S C 1.965 176.507 174.600 -0.098 0.000 1.014 195 S CA 0.811 58.966 58.200 -0.074 0.000 0.965 195 S CB -0.054 63.112 63.200 -0.056 0.000 0.785 195 S HN 0.293 nan 8.310 nan 0.000 0.495 196 L N 0.934 122.125 121.223 -0.054 0.000 2.044 196 L HA -0.066 4.274 4.340 0.001 0.000 0.205 196 L C 2.849 179.675 176.870 -0.073 0.000 1.075 196 L CA 1.233 56.085 54.840 0.021 0.000 0.747 196 L CB -0.839 41.214 42.059 -0.012 0.000 0.903 196 L HN 0.326 nan 8.230 nan 0.000 0.435 197 A N 0.335 123.139 122.820 -0.026 0.000 1.902 197 A HA -0.119 4.202 4.320 0.001 0.000 0.217 197 A C 2.211 179.822 177.584 0.045 0.000 1.181 197 A CA 1.851 53.938 52.037 0.083 0.000 0.623 197 A CB -1.013 18.064 19.000 0.128 0.000 0.818 197 A HN 0.452 nan 8.150 nan 0.000 0.443 198 G N -1.292 107.467 108.800 -0.068 0.000 3.042 198 G HA2 0.309 4.269 3.960 0.001 0.000 0.212 198 G HA3 0.309 4.269 3.960 0.001 0.000 0.212 198 G C 0.079 174.817 174.900 -0.270 0.000 1.166 198 G CA 0.342 45.377 45.100 -0.108 0.000 0.767 198 G HN 0.601 nan 8.290 nan 0.000 0.546 199 E N 0.908 120.772 120.200 -0.561 0.000 2.222 199 E HA -0.182 4.169 4.350 0.001 0.000 0.189 199 E C -0.956 175.212 176.600 -0.720 0.000 1.415 199 E CA 0.525 56.139 56.400 -1.310 0.000 0.689 199 E CB -0.751 28.309 29.700 -1.067 0.000 1.107 199 E HN 0.358 nan 8.360 nan 0.000 0.350 200 D N 0.725 120.894 120.400 -0.386 0.000 2.477 200 D HA 0.141 4.781 4.640 0.001 0.000 0.239 200 D C -1.459 174.904 176.300 0.105 0.000 1.102 200 D CA -2.350 51.599 54.000 -0.086 0.000 0.901 200 D CB 1.081 41.845 40.800 -0.060 0.000 1.026 200 D HN -0.016 nan 8.370 nan 0.000 0.515 201 P HA -0.091 nan 4.420 nan 0.000 0.220 201 P C 1.317 178.768 177.300 0.252 0.000 1.148 201 P CA 0.793 64.134 63.100 0.401 0.000 0.803 201 P CB 0.431 32.432 31.700 0.501 0.000 0.782 202 T N 0.650 115.299 114.554 0.159 0.000 2.701 202 T HA -0.101 4.250 4.350 0.001 0.000 0.263 202 T C 1.783 176.545 174.700 0.104 0.000 1.040 202 T CA 1.495 63.660 62.100 0.109 0.000 1.147 202 T CB -0.454 68.445 68.868 0.051 0.000 0.865 202 T HN 0.241 nan 8.240 nan 0.000 0.426 203 K N 0.643 121.088 120.400 0.075 0.000 2.211 203 K HA 0.110 4.430 4.320 0.001 0.000 0.203 203 K C 2.202 178.864 176.600 0.104 0.000 1.050 203 K CA 0.587 56.928 56.287 0.089 0.000 0.945 203 K CB -0.227 32.303 32.500 0.051 0.000 0.732 203 K HN 0.237 nan 8.250 nan 0.000 0.451 204 L N 1.124 122.382 121.223 0.059 0.000 2.005 204 L HA -0.189 4.152 4.340 0.001 0.000 0.207 204 L C 1.807 178.725 176.870 0.080 0.000 1.072 204 L CA 1.229 56.052 54.840 -0.028 0.000 0.744 204 L CB -0.194 41.702 42.059 -0.270 0.000 0.895 204 L HN 0.236 nan 8.230 nan 0.000 0.433 205 N N -0.833 117.986 118.700 0.198 0.000 2.120 205 N HA -0.268 4.472 4.740 0.001 0.000 0.188 205 N C 1.775 177.437 175.510 0.253 0.000 1.024 205 N CA 1.593 54.801 53.050 0.263 0.000 0.852 205 N CB -0.516 38.129 38.487 0.263 0.000 1.003 205 N HN 0.470 nan 8.380 nan 0.000 0.424 206 H N 0.847 119.999 119.070 0.137 0.000 2.326 206 H HA 0.104 4.660 4.556 0.001 0.000 0.301 206 H C 1.861 177.393 175.328 0.340 0.000 1.081 206 H CA 1.959 58.105 56.048 0.164 0.000 1.334 206 H CB -0.326 29.437 29.762 0.002 0.000 1.385 206 H HN 0.188 nan 8.280 nan 0.000 0.504 207 A N 0.146 123.054 122.820 0.147 0.000 1.908 207 A HA -0.145 4.175 4.320 0.001 0.000 0.218 207 A C 2.722 180.332 177.584 0.043 0.000 1.181 207 A CA 1.876 53.956 52.037 0.072 0.000 0.627 207 A CB -1.067 17.965 19.000 0.053 0.000 0.818 207 A HN 0.342 nan 8.150 nan 0.000 0.445 208 V N -0.081 119.883 119.914 0.083 0.000 2.332 208 V HA -0.288 3.832 4.120 0.001 0.000 0.248 208 V C 3.061 179.194 176.094 0.066 0.000 1.055 208 V CA 2.000 64.355 62.300 0.091 0.000 1.038 208 V CB -1.319 30.590 31.823 0.143 0.000 0.651 208 V HN 0.636 nan 8.190 nan 0.000 0.450 209 A N 0.549 123.440 122.820 0.118 0.000 1.940 209 A HA -0.145 4.175 4.320 0.001 0.000 0.219 209 A C 2.362 179.861 177.584 -0.141 0.000 1.176 209 A CA 2.013 54.124 52.037 0.123 0.000 0.631 209 A CB -1.137 18.082 19.000 0.366 0.000 0.814 209 A HN 0.568 nan 8.150 nan 0.000 0.446 210 G N -0.518 108.108 108.800 -0.291 0.000 2.534 210 G HA2 0.001 3.961 3.960 0.001 0.000 0.217 210 G HA3 0.001 3.961 3.960 0.001 0.000 0.217 210 G C 1.400 175.870 174.900 -0.717 0.000 1.128 210 G CA 0.709 45.213 45.100 -0.993 0.000 0.784 210 G HN 0.460 nan 8.290 nan 0.000 0.542 211 L N 0.806 121.768 121.223 -0.434 0.000 2.127 211 L HA -0.110 4.230 4.340 0.001 0.000 0.211 211 L C 3.040 179.260 176.870 -1.083 0.000 1.089 211 L CA 1.018 55.573 54.840 -0.474 0.000 0.757 211 L CB -0.516 41.509 42.059 -0.057 0.000 0.899 211 L HN 0.144 nan 8.230 nan 0.000 0.434 212 S N -0.393 114.718 115.700 -0.982 0.000 2.387 212 S HA -0.279 4.191 4.470 0.001 0.000 0.230 212 S C 1.941 175.789 174.600 -1.253 0.000 1.035 212 S CA 1.452 58.882 58.200 -1.283 0.000 1.014 212 S CB -0.241 62.680 63.200 -0.465 0.000 0.836 212 S HN 0.373 nan 8.310 nan 0.000 0.466 213 Q N 1.190 120.476 119.800 -0.856 0.000 2.226 213 Q HA -0.072 4.269 4.340 0.001 0.000 0.204 213 Q C 2.054 177.719 176.000 -0.559 0.000 0.975 213 Q CA 1.285 56.718 55.803 -0.617 0.000 0.866 213 Q CB -0.496 27.930 28.738 -0.519 0.000 0.915 213 Q HN 0.572 nan 8.270 nan 0.000 0.440 214 V N -1.639 117.889 119.914 -0.642 0.000 2.759 214 V HA -0.088 4.032 4.120 0.001 0.000 0.256 214 V C 1.242 177.254 176.094 -0.137 0.000 1.080 214 V CA 1.470 63.574 62.300 -0.326 0.000 1.101 214 V CB -1.024 30.663 31.823 -0.227 0.000 0.698 214 V HN 0.588 nan 8.190 nan 0.000 0.477 215 W N -0.026 121.213 121.300 -0.103 0.000 3.123 215 W HA 0.556 5.217 4.660 0.001 0.000 0.383 215 W C 0.377 176.786 176.519 -0.183 0.000 1.102 215 W CA -1.122 56.164 57.345 -0.098 0.000 1.865 215 W CB -0.644 28.782 29.460 -0.056 0.000 1.111 215 W HN 0.046 nan 8.180 nan 0.000 0.621 216 Q N 1.512 121.244 119.800 -0.113 0.000 2.314 216 Q HA 0.103 4.443 4.340 0.001 0.000 0.258 216 Q C -0.546 175.416 176.000 -0.062 0.000 0.954 216 Q CA -0.561 55.196 55.803 -0.077 0.000 0.890 216 Q CB 0.710 29.379 28.738 -0.114 0.000 1.210 216 Q HN 0.354 nan 8.270 nan 0.000 0.410 217 Y N 0.526 120.848 120.300 0.035 0.000 2.457 217 Y HA 0.169 4.720 4.550 0.001 0.000 0.341 217 Y C 0.987 176.809 175.900 -0.131 0.000 1.240 217 Y CA -0.349 57.739 58.100 -0.021 0.000 1.437 217 Y CB 0.704 39.172 38.460 0.015 0.000 1.328 217 Y HN 0.372 nan 8.280 nan 0.000 0.588 218 V N -1.499 118.355 119.914 -0.099 0.000 3.074 218 V HA 0.560 4.681 4.120 0.001 0.000 0.314 218 V C 0.028 175.814 176.094 -0.513 0.000 1.117 218 V CA -0.385 61.719 62.300 -0.328 0.000 1.014 218 V CB 1.705 33.261 31.823 -0.445 0.000 1.057 218 V HN 0.838 nan 8.190 nan 0.000 0.438 219 T N -1.830 112.530 114.554 -0.323 0.000 3.040 219 T HA 0.473 4.823 4.350 0.001 0.000 0.266 219 T C 0.492 175.229 174.700 0.062 0.000 1.005 219 T CA 0.467 62.502 62.100 -0.109 0.000 0.906 219 T CB -0.428 68.448 68.868 0.013 0.000 1.082 219 T HN 1.670 nan 8.240 nan 0.000 0.531 220 S N -0.767 114.884 115.700 -0.082 0.000 2.587 220 S HA 0.707 5.177 4.470 0.001 0.000 0.269 220 S C 0.397 175.015 174.600 0.030 0.000 1.154 220 S CA -0.119 58.149 58.200 0.113 0.000 0.824 220 S CB 1.205 64.450 63.200 0.074 0.000 1.118 220 S HN 1.424 nan 8.310 nan 0.000 0.462 221 G N 1.428 110.295 108.800 0.113 0.000 2.552 221 G HA2 -0.116 3.844 3.960 0.001 0.000 0.265 221 G HA3 -0.116 3.844 3.960 0.001 0.000 0.265 221 G C -1.177 173.735 174.900 0.020 0.000 1.234 221 G CA 0.437 45.563 45.100 0.044 0.000 0.944 221 G HN 1.026 nan 8.290 nan 0.000 0.568 222 D N 1.865 122.221 120.400 -0.073 0.000 2.249 222 D HA 0.619 5.260 4.640 0.001 0.000 0.246 222 D C 0.816 176.972 176.300 -0.239 0.000 1.114 222 D CA 1.527 55.429 54.000 -0.164 0.000 0.854 222 D CB 0.846 41.553 40.800 -0.155 0.000 1.132 222 D HN 1.445 nan 8.370 nan 0.000 0.461 223 G N 0.970 109.552 108.800 -0.363 0.000 2.356 223 G HA2 0.066 4.027 3.960 0.001 0.000 0.266 223 G HA3 0.066 4.027 3.960 0.001 0.000 0.266 223 G C -1.229 173.624 174.900 -0.078 0.000 1.312 223 G CA -0.952 43.996 45.100 -0.254 0.000 0.922 223 G HN 0.385 nan 8.290 nan 0.000 0.480 224 I N 1.167 121.851 120.570 0.190 0.000 2.371 224 I HA 0.421 4.592 4.170 0.001 0.000 0.290 224 I C -0.253 176.059 176.117 0.325 0.000 1.028 224 I CA -0.249 61.278 61.300 0.378 0.000 1.345 224 I CB 0.651 38.853 38.000 0.337 0.000 1.407 224 I HN 0.224 nan 8.210 nan 0.000 0.501 225 F N 4.777 124.900 119.950 0.288 0.000 2.380 225 F HA 0.404 4.931 4.527 0.001 0.000 0.321 225 F C 1.704 177.627 175.800 0.207 0.000 1.103 225 F CA -0.487 57.651 58.000 0.229 0.000 1.067 225 F CB 0.622 39.698 39.000 0.126 0.000 1.265 225 F HN 0.347 nan 8.300 nan 0.000 0.517 226 R N 0.245 120.783 120.500 0.064 0.000 2.120 226 R HA -0.137 4.203 4.340 0.001 0.000 0.234 226 R C 1.119 177.397 176.300 -0.035 0.000 1.123 226 R CA 1.548 57.438 56.100 -0.350 0.000 0.975 226 R CB -0.376 29.672 30.300 -0.419 0.000 0.866 226 R HN 0.677 nan 8.270 nan 0.000 0.446 227 D N -1.036 119.424 120.400 0.101 0.000 2.363 227 D HA 0.009 4.649 4.640 0.001 0.000 0.226 227 D C 1.073 177.492 176.300 0.198 0.000 1.020 227 D CA 0.863 54.912 54.000 0.081 0.000 0.892 227 D CB 0.125 40.944 40.800 0.031 0.000 0.900 227 D HN 0.278 nan 8.370 nan 0.000 0.531 228 G N -0.590 108.408 108.800 0.330 0.000 2.176 228 G HA2 -0.282 3.679 3.960 0.001 0.000 0.253 228 G HA3 -0.282 3.679 3.960 0.001 0.000 0.253 228 G C 0.363 175.512 174.900 0.415 0.000 0.979 228 G CA 0.193 45.546 45.100 0.422 0.000 0.641 228 G HN 0.438 nan 8.290 nan 0.000 0.530 229 S N -0.165 115.789 115.700 0.423 0.000 2.568 229 S HA 0.524 4.994 4.470 0.001 0.000 0.282 229 S C -0.389 174.398 174.600 0.311 0.000 1.338 229 S CA 0.268 58.581 58.200 0.189 0.000 1.045 229 S CB 1.154 64.331 63.200 -0.039 0.000 0.873 229 S HN 0.844 nan 8.310 nan 0.000 0.516 230 F N 2.639 122.601 119.950 0.019 0.000 2.507 230 F HA 0.618 5.146 4.527 0.001 0.000 0.328 230 F C -0.964 174.916 175.800 0.132 0.000 1.136 230 F CA -0.840 57.226 58.000 0.111 0.000 0.930 230 F CB 0.623 39.611 39.000 -0.020 0.000 1.166 230 F HN 0.402 nan 8.300 nan 0.000 0.436 231 I N 5.141 125.484 120.570 -0.378 0.000 2.493 231 I HA 0.426 4.597 4.170 0.001 0.000 0.298 231 I C -0.931 174.876 176.117 -0.517 0.000 0.998 231 I CA -0.829 60.329 61.300 -0.237 0.000 1.137 231 I CB 2.129 40.137 38.000 0.013 0.000 1.310 231 I HN 0.577 nan 8.210 nan 0.000 0.445 232 Q N 3.522 123.219 119.800 -0.173 0.000 2.397 232 Q HA 0.399 4.739 4.340 0.001 0.000 0.275 232 Q C -0.609 175.356 176.000 -0.058 0.000 1.090 232 Q CA -0.392 55.243 55.803 -0.280 0.000 0.809 232 Q CB 1.207 29.622 28.738 -0.539 0.000 1.362 232 Q HN 0.630 nan 8.270 nan 0.000 0.431 233 H N 2.016 121.019 119.070 -0.111 0.000 2.862 233 H HA -0.250 4.306 4.556 0.001 0.000 0.290 233 H C 0.281 175.642 175.328 0.054 0.000 1.211 233 H CA 0.159 56.211 56.048 0.007 0.000 1.140 233 H CB -1.458 28.385 29.762 0.135 0.000 1.341 233 H HN 0.800 nan 8.280 nan 0.000 0.392 234 S N -2.437 113.335 115.700 0.120 0.000 1.891 234 S HA -0.335 4.135 4.470 0.001 0.000 0.224 234 S C 1.569 176.221 174.600 0.087 0.000 0.993 234 S CA 2.528 60.781 58.200 0.088 0.000 1.595 234 S CB -1.090 62.157 63.200 0.079 0.000 2.103 234 S HN 0.909 nan 8.310 nan 0.000 0.555 235 T N -1.970 112.646 114.554 0.102 0.000 3.170 235 T HA 0.468 4.819 4.350 0.001 0.000 0.288 235 T C -0.064 174.657 174.700 0.035 0.000 0.992 235 T CA 0.350 62.487 62.100 0.060 0.000 0.909 235 T CB 0.873 69.779 68.868 0.063 0.000 1.133 235 T HN 0.313 nan 8.240 nan 0.000 0.530 236 T N 4.314 118.894 114.554 0.044 0.000 2.812 236 T HA 0.537 4.888 4.350 0.001 0.000 0.282 236 T C -3.004 171.629 174.700 -0.112 0.000 0.990 236 T CA -1.472 60.580 62.100 -0.080 0.000 0.960 236 T CB 1.875 70.634 68.868 -0.182 0.000 0.948 236 T HN -0.068 nan 8.240 nan 0.000 0.438 237 P HA 0.217 nan 4.420 nan 0.000 0.271 237 P C -0.767 176.485 177.300 -0.080 0.000 1.226 237 P CA 0.130 63.172 63.100 -0.097 0.000 0.765 237 P CB 0.256 31.883 31.700 -0.122 0.000 0.835 238 Y N 0.658 121.019 120.300 0.100 0.000 2.830 238 Y HA 0.014 4.564 4.550 0.001 0.000 0.255 238 Y C 1.621 177.703 175.900 0.305 0.000 1.130 238 Y CA -0.112 58.117 58.100 0.215 0.000 1.217 238 Y CB 0.452 39.084 38.460 0.287 0.000 1.296 238 Y HN 0.218 nan 8.280 nan 0.000 0.571 239 T N -0.693 114.059 114.554 0.330 0.000 2.721 239 T HA -0.258 4.093 4.350 0.001 0.000 0.268 239 T C 2.015 176.775 174.700 0.100 0.000 1.038 239 T CA 1.883 64.029 62.100 0.077 0.000 1.145 239 T CB -0.378 68.371 68.868 -0.199 0.000 0.858 239 T HN 0.644 nan 8.240 nan 0.000 0.459 240 G N 0.163 109.018 108.800 0.091 0.000 2.712 240 G HA2 0.058 4.019 3.960 0.001 0.000 0.212 240 G HA3 0.058 4.019 3.960 0.001 0.000 0.212 240 G C 1.579 176.500 174.900 0.034 0.000 1.142 240 G CA 1.065 46.181 45.100 0.027 0.000 0.789 240 G HN 0.650 nan 8.290 nan 0.000 0.535 241 S N -1.495 114.262 115.700 0.095 0.000 3.526 241 S HA 0.140 4.610 4.470 0.001 0.000 0.222 241 S C 1.799 176.299 174.600 -0.167 0.000 1.001 241 S CA -0.016 58.140 58.200 -0.073 0.000 0.831 241 S CB -0.446 62.678 63.200 -0.128 0.000 0.941 241 S HN 0.122 nan 8.310 nan 0.000 0.585 242 Y N 2.994 123.218 120.300 -0.128 0.000 2.224 242 Y HA 0.094 4.645 4.550 0.001 0.000 0.289 242 Y C 2.886 178.763 175.900 -0.039 0.000 1.146 242 Y CA 1.191 59.231 58.100 -0.100 0.000 1.182 242 Y CB -0.783 37.578 38.460 -0.166 0.000 0.983 242 Y HN 0.528 nan 8.280 nan 0.000 0.524 243 G N -0.424 108.412 108.800 0.060 0.000 2.446 243 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 243 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 243 G C 1.743 176.667 174.900 0.040 0.000 1.168 243 G CA 1.503 46.431 45.100 -0.288 0.000 0.771 243 G HN 0.287 nan 8.290 nan 0.000 0.551 244 V N 0.359 120.287 119.914 0.024 0.000 2.427 244 V HA -0.140 3.980 4.120 0.001 0.000 0.248 244 V C 3.021 179.035 176.094 -0.133 0.000 1.051 244 V CA 1.280 63.499 62.300 -0.135 0.000 1.048 244 V CB -0.224 31.520 31.823 -0.131 0.000 0.666 244 V HN 0.245 nan 8.190 nan 0.000 0.456 245 V N -0.012 119.852 119.914 -0.082 0.000 2.287 245 V HA -0.322 3.799 4.120 0.001 0.000 0.248 245 V C 2.349 178.422 176.094 -0.035 0.000 1.053 245 V CA 2.439 64.713 62.300 -0.043 0.000 1.027 245 V CB -0.555 31.268 31.823 -0.001 0.000 0.646 245 V HN 0.545 nan 8.190 nan 0.000 0.447 246 L N -0.517 120.685 121.223 -0.035 0.000 1.990 246 L HA -0.226 4.114 4.340 0.001 0.000 0.213 246 L C 2.400 179.184 176.870 -0.143 0.000 1.072 246 L CA 2.122 56.917 54.840 -0.075 0.000 0.755 246 L CB -0.302 41.704 42.059 -0.088 0.000 0.889 246 L HN 0.381 nan 8.230 nan 0.000 0.432 247 L N -0.750 120.396 121.223 -0.129 0.000 2.046 247 L HA -0.181 4.159 4.340 0.001 0.000 0.208 247 L C 2.317 179.109 176.870 -0.129 0.000 1.077 247 L CA 2.421 57.181 54.840 -0.133 0.000 0.747 247 L CB -0.915 40.785 42.059 -0.600 0.000 0.896 247 L HN 0.240 nan 8.230 nan 0.000 0.432 248 T N -0.477 113.994 114.554 -0.138 0.000 2.737 248 T HA -0.065 4.286 4.350 0.001 0.000 0.265 248 T C 1.657 176.331 174.700 -0.042 0.000 1.038 248 T CA 1.287 63.335 62.100 -0.086 0.000 1.144 248 T CB -0.803 68.021 68.868 -0.073 0.000 0.866 248 T HN 0.597 nan 8.240 nan 0.000 0.434 249 G N 1.291 110.064 108.800 -0.046 0.000 2.418 249 G HA2 -0.112 3.848 3.960 0.001 0.000 0.217 249 G HA3 -0.112 3.848 3.960 0.001 0.000 0.217 249 G C 1.501 176.372 174.900 -0.048 0.000 1.158 249 G CA 0.454 45.550 45.100 -0.006 0.000 0.771 249 G HN 0.438 nan 8.290 nan 0.000 0.545 250 L N 1.578 122.670 121.223 -0.218 0.000 2.083 250 L HA -0.109 4.231 4.340 0.001 0.000 0.209 250 L C 3.341 179.981 176.870 -0.384 0.000 1.083 250 L CA 1.438 55.991 54.840 -0.478 0.000 0.752 250 L CB -0.571 40.818 42.059 -1.117 0.000 0.899 250 L HN 0.451 nan 8.230 nan 0.000 0.433 251 S N 0.204 115.827 115.700 -0.128 0.000 2.370 251 S HA -0.240 4.230 4.470 0.001 0.000 0.226 251 S C 1.930 176.609 174.600 0.131 0.000 1.033 251 S CA 1.258 59.482 58.200 0.040 0.000 1.011 251 S CB -0.274 62.951 63.200 0.041 0.000 0.852 251 S HN 0.423 nan 8.310 nan 0.000 0.457 252 K N 0.778 121.259 120.400 0.136 0.000 2.116 252 K HA 0.247 4.567 4.320 0.001 0.000 0.203 252 K C 2.213 179.041 176.600 0.381 0.000 1.052 252 K CA 1.041 57.474 56.287 0.243 0.000 0.952 252 K CB -0.321 32.335 32.500 0.260 0.000 0.729 252 K HN 0.339 nan 8.250 nan 0.000 0.446 253 L N -0.121 121.290 121.223 0.313 0.000 2.095 253 L HA -0.039 4.302 4.340 0.001 0.000 0.204 253 L C 2.229 179.355 176.870 0.427 0.000 1.080 253 L CA 1.099 56.130 54.840 0.318 0.000 0.759 253 L CB -0.351 41.845 42.059 0.229 0.000 0.914 253 L HN 0.128 nan 8.230 nan 0.000 0.439 254 F N -0.325 119.734 119.950 0.182 0.000 2.126 254 F HA -0.314 4.213 4.527 0.001 0.000 0.299 254 F C 2.994 178.905 175.800 0.185 0.000 1.096 254 F CA 1.232 59.348 58.000 0.194 0.000 1.255 254 F CB -0.187 38.966 39.000 0.255 0.000 0.997 254 F HN 0.168 nan 8.300 nan 0.000 0.479 255 S N 0.541 116.483 115.700 0.402 0.000 2.357 255 S HA -0.179 4.291 4.470 0.001 0.000 0.221 255 S C 2.002 176.752 174.600 0.249 0.000 1.031 255 S CA 0.909 59.276 58.200 0.280 0.000 0.982 255 S CB -0.612 62.726 63.200 0.230 0.000 0.853 255 S HN 0.297 nan 8.310 nan 0.000 0.458 256 L N 1.447 122.853 121.223 0.305 0.000 2.021 256 L HA -0.019 4.321 4.340 0.001 0.000 0.215 256 L C 2.030 179.026 176.870 0.211 0.000 1.074 256 L CA 2.044 57.066 54.840 0.304 0.000 0.760 256 L CB -0.560 41.730 42.059 0.386 0.000 0.889 256 L HN 0.476 nan 8.230 nan 0.000 0.433 257 L N -0.714 120.627 121.223 0.198 0.000 2.529 257 L HA 0.241 4.581 4.340 0.001 0.000 0.223 257 L C 1.333 178.278 176.870 0.127 0.000 1.113 257 L CA 0.052 54.989 54.840 0.162 0.000 0.861 257 L CB -0.879 41.278 42.059 0.164 0.000 1.012 257 L HN 0.372 nan 8.230 nan 0.000 0.461 258 G N -0.393 108.482 108.800 0.125 0.000 2.353 258 G HA2 0.309 4.270 3.960 0.001 0.000 0.239 258 G HA3 0.309 4.270 3.960 0.001 0.000 0.239 258 G C 1.126 176.063 174.900 0.062 0.000 1.295 258 G CA 0.398 45.548 45.100 0.083 0.000 0.884 258 G HN 0.404 nan 8.290 nan 0.000 0.537 259 G N 0.971 109.791 108.800 0.033 0.000 2.179 259 G HA2 -0.172 3.789 3.960 0.001 0.000 0.260 259 G HA3 -0.172 3.789 3.960 0.001 0.000 0.260 259 G C 0.743 175.648 174.900 0.008 0.000 0.977 259 G CA 1.389 46.500 45.100 0.019 0.000 0.641 259 G HN 1.834 nan 8.290 nan 0.000 0.533 260 T N -3.039 111.526 114.554 0.018 0.000 2.937 260 T HA 0.775 5.125 4.350 0.001 0.000 0.283 260 T C 1.648 176.288 174.700 -0.099 0.000 1.012 260 T CA 0.461 62.557 62.100 -0.007 0.000 0.997 260 T CB 1.626 70.542 68.868 0.079 0.000 1.136 260 T HN 1.402 nan 8.240 nan 0.000 0.551 261 A N -0.288 122.388 122.820 -0.241 0.000 2.186 261 A HA 0.122 4.443 4.320 0.001 0.000 0.219 261 A C 1.262 178.449 177.584 -0.661 0.000 1.159 261 A CA 0.943 52.693 52.037 -0.478 0.000 0.680 261 A CB -1.143 17.467 19.000 -0.651 0.000 0.787 261 A HN 0.766 nan 8.150 nan 0.000 0.467 262 F N -0.280 119.640 119.950 -0.049 0.000 2.653 262 F HA 0.210 4.737 4.527 0.001 0.000 0.304 262 F C 0.738 176.533 175.800 -0.008 0.000 1.092 262 F CA -0.346 57.639 58.000 -0.025 0.000 1.279 262 F CB 0.035 39.015 39.000 -0.033 0.000 1.044 262 F HN 0.278 nan 8.300 nan 0.000 0.564 263 E N 1.852 122.099 120.200 0.078 0.000 2.608 263 E HA -0.029 4.321 4.350 0.001 0.000 0.259 263 E C -0.193 176.412 176.600 0.008 0.000 0.951 263 E CA -0.209 56.212 56.400 0.036 0.000 0.945 263 E CB 0.768 30.466 29.700 -0.002 0.000 0.916 263 E HN -0.011 nan 8.360 nan 0.000 0.477 264 V N 5.490 125.369 119.914 -0.059 0.000 2.409 264 V HA -0.054 4.066 4.120 0.001 0.000 0.270 264 V C 1.103 177.118 176.094 -0.132 0.000 1.019 264 V CA 0.975 63.196 62.300 -0.131 0.000 1.066 264 V CB 0.329 31.889 31.823 -0.438 0.000 1.021 264 V HN 0.756 nan 8.190 nan 0.000 0.476 265 S N 1.583 117.262 115.700 -0.034 0.000 2.539 265 S HA 0.078 4.549 4.470 0.001 0.000 0.221 265 S C 0.502 175.109 174.600 0.012 0.000 0.987 265 S CA -0.445 57.744 58.200 -0.017 0.000 0.929 265 S CB -0.000 63.200 63.200 0.000 0.000 0.832 265 S HN 0.713 nan 8.310 nan 0.000 0.492 266 D N 4.226 124.657 120.400 0.052 0.000 2.412 266 D HA 0.135 4.776 4.640 0.001 0.000 0.257 266 D C -1.281 175.054 176.300 0.058 0.000 1.217 266 D CA -1.697 52.372 54.000 0.116 0.000 0.897 266 D CB 1.373 42.349 40.800 0.292 0.000 1.132 266 D HN 0.096 nan 8.370 nan 0.000 0.493 267 P HA -0.110 nan 4.420 nan 0.000 0.223 267 P C 1.115 178.426 177.300 0.018 0.000 1.151 267 P CA 0.947 64.066 63.100 0.032 0.000 0.787 267 P CB -0.157 31.572 31.700 0.048 0.000 0.788 268 T N -1.491 113.117 114.554 0.091 0.000 3.072 268 T HA -0.114 4.237 4.350 0.001 0.000 0.266 268 T C 1.788 176.404 174.700 -0.139 0.000 1.127 268 T CA 0.248 62.417 62.100 0.114 0.000 1.107 268 T CB -0.918 68.110 68.868 0.266 0.000 0.910 268 T HN 0.236 nan 8.240 nan 0.000 0.513 269 R N 1.971 122.172 120.500 -0.498 0.000 2.355 269 R HA -0.078 4.262 4.340 0.001 0.000 0.219 269 R C 2.112 177.834 176.300 -0.963 0.000 1.107 269 R CA 1.539 56.771 56.100 -1.446 0.000 1.021 269 R CB -0.914 28.572 30.300 -1.357 0.000 0.852 269 R HN 0.596 nan 8.270 nan 0.000 0.475 270 S N 0.763 116.222 115.700 -0.402 0.000 2.453 270 S HA -0.052 4.418 4.470 0.001 0.000 0.231 270 S C 1.951 176.509 174.600 -0.069 0.000 1.005 270 S CA 0.631 58.772 58.200 -0.099 0.000 0.949 270 S CB -0.341 62.910 63.200 0.085 0.000 0.774 270 S HN 0.396 nan 8.310 nan 0.000 0.510 271 I N 0.555 121.042 120.570 -0.138 0.000 2.226 271 I HA -0.106 4.065 4.170 0.001 0.000 0.245 271 I C 2.365 178.467 176.117 -0.024 0.000 1.100 271 I CA 1.570 62.818 61.300 -0.088 0.000 1.374 271 I CB -0.502 37.367 38.000 -0.220 0.000 1.057 271 I HN 0.297 nan 8.210 nan 0.000 0.413 272 F N 2.009 121.794 119.950 -0.276 0.000 2.095 272 F HA -0.266 4.262 4.527 0.001 0.000 0.298 272 F C 2.100 177.889 175.800 -0.019 0.000 1.104 272 F CA 1.513 59.401 58.000 -0.186 0.000 1.232 272 F CB -0.598 38.163 39.000 -0.398 0.000 0.987 272 F HN -0.087 nan 8.300 nan 0.000 0.475 273 F N 1.159 121.005 119.950 -0.173 0.000 2.134 273 F HA -0.157 4.370 4.527 0.001 0.000 0.299 273 F C 2.393 178.251 175.800 0.097 0.000 1.097 273 F CA 1.421 59.390 58.000 -0.052 0.000 1.264 273 F CB -1.553 37.550 39.000 0.171 0.000 1.001 273 F HN -0.010 nan 8.300 nan 0.000 0.479 274 D N 0.165 120.727 120.400 0.270 0.000 2.182 274 D HA -0.143 4.498 4.640 0.001 0.000 0.201 274 D C 2.296 178.707 176.300 0.184 0.000 0.986 274 D CA 1.329 55.474 54.000 0.241 0.000 0.847 274 D CB -0.567 40.365 40.800 0.220 0.000 0.942 274 D HN 0.252 nan 8.370 nan 0.000 0.467 275 A N 0.439 123.333 122.820 0.124 0.000 2.067 275 A HA -0.090 4.230 4.320 0.001 0.000 0.219 275 A C 2.453 180.111 177.584 0.124 0.000 1.158 275 A CA 0.650 52.755 52.037 0.113 0.000 0.661 275 A CB -0.512 18.573 19.000 0.141 0.000 0.801 275 A HN 0.130 nan 8.150 nan 0.000 0.452 276 V N 0.061 119.975 119.914 -0.001 0.000 2.252 276 V HA -0.301 3.820 4.120 0.001 0.000 0.249 276 V C 2.424 178.518 176.094 0.001 0.000 1.056 276 V CA 2.490 64.691 62.300 -0.166 0.000 1.022 276 V CB -0.568 30.671 31.823 -0.975 0.000 0.641 276 V HN 0.646 nan 8.190 nan 0.000 0.445 277 E N -0.681 119.563 120.200 0.074 0.000 2.276 277 E HA 0.026 4.376 4.350 0.001 0.000 0.193 277 E C 2.217 178.912 176.600 0.159 0.000 0.983 277 E CA 0.700 57.187 56.400 0.146 0.000 0.861 277 E CB 0.040 29.855 29.700 0.192 0.000 0.817 277 E HN 0.635 nan 8.360 nan 0.000 0.485 278 G N 0.095 108.990 108.800 0.159 0.000 2.494 278 G HA2 -0.102 3.858 3.960 0.001 0.000 0.216 278 G HA3 -0.102 3.858 3.960 0.001 0.000 0.216 278 G C 1.501 176.538 174.900 0.229 0.000 1.140 278 G CA 0.501 45.709 45.100 0.180 0.000 0.801 278 G HN 0.091 nan 8.290 nan 0.000 0.536 279 S N -0.930 114.824 115.700 0.090 0.000 3.186 279 S HA 0.267 4.738 4.470 0.001 0.000 0.253 279 S C 1.651 176.069 174.600 -0.303 0.000 1.071 279 S CA -0.366 57.763 58.200 -0.119 0.000 0.796 279 S CB -0.130 62.840 63.200 -0.383 0.000 0.818 279 S HN 0.231 nan 8.310 nan 0.000 0.498 280 F N 2.542 122.458 119.950 -0.057 0.000 2.118 280 F HA 0.176 4.703 4.527 0.001 0.000 0.293 280 F C 2.737 178.458 175.800 -0.131 0.000 1.102 280 F CA 0.910 58.819 58.000 -0.151 0.000 1.247 280 F CB -0.561 38.316 39.000 -0.205 0.000 1.017 280 F HN 0.215 nan 8.300 nan 0.000 0.475 281 A N 0.529 123.465 122.820 0.194 0.000 1.908 281 A HA -0.144 4.176 4.320 0.001 0.000 0.218 281 A C -0.349 177.360 177.584 0.208 0.000 1.181 281 A CA 1.724 53.947 52.037 0.310 0.000 0.627 281 A CB -2.040 17.218 19.000 0.430 0.000 0.818 281 A HN 0.237 nan 8.150 nan 0.000 0.445 282 P HA -0.078 nan 4.420 nan 0.000 0.222 282 P C 1.102 178.418 177.300 0.028 0.000 1.147 282 P CA 1.576 64.769 63.100 0.155 0.000 0.790 282 P CB -0.115 31.787 31.700 0.336 0.000 0.780 283 V N -6.587 113.271 119.914 -0.093 0.000 3.542 283 V HA 0.240 4.360 4.120 0.001 0.000 0.296 283 V C 0.659 176.573 176.094 -0.300 0.000 1.364 283 V CA 0.116 62.284 62.300 -0.219 0.000 1.118 283 V CB -0.790 30.852 31.823 -0.301 0.000 0.972 283 V HN -0.077 nan 8.190 nan 0.000 0.430 284 M N 2.126 121.536 119.600 -0.316 0.000 2.144 284 M HA 0.535 5.015 4.480 0.001 0.000 0.356 284 M C -0.765 175.331 176.300 -0.339 0.000 1.217 284 M CA 0.045 55.020 55.300 -0.542 0.000 1.087 284 M CB 1.347 33.215 32.600 -1.219 0.000 1.609 284 M HN 0.216 nan 8.290 nan 0.000 0.467 285 I N 4.844 125.194 120.570 -0.367 0.000 2.466 285 I HA 0.225 4.395 4.170 0.001 0.000 0.279 285 I C -0.072 176.015 176.117 -0.050 0.000 1.033 285 I CA -0.563 60.618 61.300 -0.197 0.000 1.123 285 I CB 0.989 38.710 38.000 -0.466 0.000 1.237 285 I HN 0.659 nan 8.210 nan 0.000 0.460 286 N N 5.033 123.838 118.700 0.176 0.000 2.727 286 N HA -0.210 4.530 4.740 0.001 0.000 0.249 286 N C 0.938 176.617 175.510 0.282 0.000 1.048 286 N CA 1.440 54.656 53.050 0.276 0.000 0.714 286 N CB -0.810 37.833 38.487 0.260 0.000 0.959 286 N HN 1.178 nan 8.380 nan 0.000 0.544 287 G N -2.618 106.253 108.800 0.117 0.000 2.232 287 G HA2 -0.046 3.915 3.960 0.001 0.000 0.226 287 G HA3 -0.046 3.915 3.960 0.001 0.000 0.226 287 G C 0.066 174.871 174.900 -0.158 0.000 0.996 287 G CA 0.481 45.639 45.100 0.096 0.000 0.626 287 G HN 1.208 nan 8.290 nan 0.000 0.509 288 A N 1.376 123.934 122.820 -0.436 0.000 2.318 288 A HA 0.823 5.143 4.320 0.001 0.000 0.324 288 A C 0.375 177.658 177.584 -0.501 0.000 1.170 288 A CA -0.461 51.153 52.037 -0.705 0.000 0.810 288 A CB 0.715 19.030 19.000 -1.142 0.000 1.198 288 A HN 0.305 nan 8.150 nan 0.000 0.484 289 M N 2.078 121.447 119.600 -0.385 0.000 2.228 289 M HA 0.247 4.728 4.480 0.001 0.000 0.351 289 M C 0.864 176.980 176.300 -0.306 0.000 1.233 289 M CA 0.009 55.116 55.300 -0.323 0.000 1.129 289 M CB 0.574 33.045 32.600 -0.215 0.000 1.604 289 M HN 0.847 nan 8.290 nan 0.000 0.457 290 A N 3.014 125.619 122.820 -0.357 0.000 2.520 290 A HA 0.046 4.367 4.320 0.001 0.000 0.245 290 A C 0.856 178.278 177.584 -0.270 0.000 1.072 290 A CA -0.284 51.520 52.037 -0.389 0.000 0.761 290 A CB -0.052 18.693 19.000 -0.425 0.000 1.004 290 A HN 0.839 nan 8.150 nan 0.000 0.499 291 D N 2.562 122.808 120.400 -0.256 0.000 2.149 291 D HA -0.148 4.492 4.640 0.001 0.000 0.198 291 D C 2.117 178.275 176.300 -0.236 0.000 0.990 291 D CA 1.948 55.835 54.000 -0.189 0.000 0.839 291 D CB -0.235 40.534 40.800 -0.052 0.000 0.948 291 D HN 0.707 nan 8.370 nan 0.000 0.460 292 A N 0.285 122.856 122.820 -0.415 0.000 2.125 292 A HA -0.094 4.226 4.320 0.001 0.000 0.219 292 A C 1.938 179.427 177.584 -0.158 0.000 1.156 292 A CA 1.481 53.396 52.037 -0.204 0.000 0.671 292 A CB -0.267 18.623 19.000 -0.183 0.000 0.794 292 A HN 0.257 nan 8.150 nan 0.000 0.459 293 V N -3.090 116.720 119.914 -0.174 0.000 3.176 293 V HA 0.312 4.432 4.120 0.001 0.000 0.332 293 V C 0.915 176.992 176.094 -0.029 0.000 1.414 293 V CA 0.286 62.508 62.300 -0.129 0.000 1.133 293 V CB -0.716 31.007 31.823 -0.167 0.000 1.088 293 V HN 0.629 nan 8.190 nan 0.000 0.473 294 R N 0.158 120.634 120.500 -0.040 0.000 2.596 294 R HA 0.568 4.908 4.340 0.001 0.000 0.369 294 R C 1.020 177.388 176.300 0.115 0.000 1.042 294 R CA 0.307 56.464 56.100 0.094 0.000 1.120 294 R CB 0.204 30.521 30.300 0.028 0.000 1.353 294 R HN 0.525 nan 8.270 nan 0.000 0.564 295 G N 3.456 112.153 108.800 -0.172 0.000 2.652 295 G HA2 -0.493 3.468 3.960 0.001 0.000 0.318 295 G HA3 -0.493 3.468 3.960 0.001 0.000 0.318 295 G C 0.815 175.714 174.900 -0.001 0.000 1.295 295 G CA 1.118 46.063 45.100 -0.259 0.000 0.999 295 G HN 0.579 nan 8.290 nan 0.000 0.548 296 R N 0.532 121.123 120.500 0.152 0.000 2.285 296 R HA 0.104 4.444 4.340 0.001 0.000 0.213 296 R C 2.457 178.772 176.300 0.026 0.000 1.068 296 R CA 2.157 58.300 56.100 0.073 0.000 1.004 296 R CB -0.458 29.893 30.300 0.085 0.000 0.873 296 R HN 0.832 nan 8.270 nan 0.000 0.467 297 S N 1.796 117.522 115.700 0.044 0.000 2.515 297 S HA -0.073 4.398 4.470 0.001 0.000 0.231 297 S C 2.053 176.641 174.600 -0.021 0.000 0.987 297 S CA 0.620 58.817 58.200 -0.004 0.000 0.936 297 S CB -0.637 62.550 63.200 -0.021 0.000 0.766 297 S HN 0.610 nan 8.310 nan 0.000 0.528 298 I N 1.280 121.788 120.570 -0.103 0.000 2.567 298 I HA -0.083 4.087 4.170 0.001 0.000 0.257 298 I C 2.152 178.255 176.117 -0.024 0.000 1.184 298 I CA 1.319 62.473 61.300 -0.243 0.000 1.451 298 I CB -0.890 36.588 38.000 -0.869 0.000 1.089 298 I HN 0.409 nan 8.210 nan 0.000 0.441 299 S N 0.630 116.360 115.700 0.050 0.000 2.603 299 S HA 0.144 4.614 4.470 0.001 0.000 0.220 299 S C 0.871 175.678 174.600 0.345 0.000 0.967 299 S CA -0.402 57.966 58.200 0.280 0.000 0.920 299 S CB -0.389 62.892 63.200 0.135 0.000 0.773 299 S HN 0.493 nan 8.310 nan 0.000 0.529 300 R N 1.923 122.498 120.500 0.126 0.000 2.207 300 R HA 0.245 4.585 4.340 0.001 0.000 0.334 300 R C 1.153 177.190 176.300 -0.439 0.000 1.013 300 R CA -0.107 55.939 56.100 -0.090 0.000 0.858 300 R CB 0.789 31.037 30.300 -0.088 0.000 1.094 300 R HN 0.595 nan 8.270 nan 0.000 0.457 301 E N 2.316 121.996 120.200 -0.866 0.000 2.204 301 E HA -0.143 4.207 4.350 0.001 0.000 0.194 301 E C 0.593 176.831 176.600 -0.604 0.000 0.989 301 E CA 1.193 56.737 56.400 -1.427 0.000 0.824 301 E CB 0.171 28.861 29.700 -1.682 0.000 0.756 301 E HN 0.499 nan 8.360 nan 0.000 0.477 302 A N 1.236 123.840 122.820 -0.361 0.000 2.676 302 A HA 0.184 4.505 4.320 0.001 0.000 0.297 302 A C 0.030 177.533 177.584 -0.134 0.000 1.132 302 A CA -0.556 51.358 52.037 -0.205 0.000 0.972 302 A CB -0.181 18.718 19.000 -0.168 0.000 1.197 302 A HN 0.237 nan 8.150 nan 0.000 0.524 303 N N 0.964 119.590 118.700 -0.123 0.000 2.716 303 N HA 0.096 4.837 4.740 0.001 0.000 0.245 303 N C -0.158 175.331 175.510 -0.036 0.000 1.495 303 N CA 0.393 53.395 53.050 -0.080 0.000 0.759 303 N CB 0.765 39.192 38.487 -0.099 0.000 1.261 303 N HN 0.368 nan 8.380 nan 0.000 0.515 304 T N -2.414 112.149 114.554 0.015 0.000 2.867 304 T HA 0.400 4.751 4.350 0.001 0.000 0.286 304 T C 1.657 176.402 174.700 0.076 0.000 1.022 304 T CA 0.016 62.178 62.100 0.103 0.000 0.933 304 T CB 0.980 69.972 68.868 0.206 0.000 1.280 304 T HN 0.155 nan 8.240 nan 0.000 0.566 305 G N -1.012 107.842 108.800 0.090 0.000 2.432 305 G HA2 -0.109 3.851 3.960 0.001 0.000 0.219 305 G HA3 -0.109 3.851 3.960 0.001 0.000 0.219 305 G C 1.106 175.892 174.900 -0.189 0.000 1.135 305 G CA 0.483 45.534 45.100 -0.082 0.000 0.767 305 G HN 0.777 nan 8.290 nan 0.000 0.550 306 Y N 0.990 121.338 120.300 0.079 0.000 2.243 306 Y HA -0.004 4.546 4.550 0.001 0.000 0.293 306 Y C 2.696 178.593 175.900 -0.005 0.000 1.124 306 Y CA 0.930 59.061 58.100 0.051 0.000 1.159 306 Y CB 0.070 38.599 38.460 0.114 0.000 1.008 306 Y HN 0.097 nan 8.280 nan 0.000 0.527 307 D N 0.442 120.923 120.400 0.135 0.000 2.106 307 D HA -0.198 4.443 4.640 0.001 0.000 0.191 307 D C 2.152 178.439 176.300 -0.021 0.000 0.997 307 D CA 1.525 55.545 54.000 0.034 0.000 0.834 307 D CB -0.473 40.329 40.800 0.003 0.000 0.956 307 D HN 0.313 nan 8.370 nan 0.000 0.448 308 L N 0.461 121.656 121.223 -0.047 0.000 2.093 308 L HA -0.045 4.296 4.340 0.001 0.000 0.208 308 L C 2.634 179.422 176.870 -0.135 0.000 1.085 308 L CA 1.316 56.099 54.840 -0.095 0.000 0.755 308 L CB -0.604 41.397 42.059 -0.097 0.000 0.904 308 L HN 0.070 nan 8.230 nan 0.000 0.435 309 G N -0.585 108.123 108.800 -0.152 0.000 2.421 309 G HA2 -0.159 3.802 3.960 0.001 0.000 0.217 309 G HA3 -0.159 3.802 3.960 0.001 0.000 0.217 309 G C 1.779 176.588 174.900 -0.150 0.000 1.143 309 G CA 0.696 45.661 45.100 -0.224 0.000 0.784 309 G HN 0.437 nan 8.290 nan 0.000 0.541 310 A N 0.834 123.620 122.820 -0.056 0.000 1.898 310 A HA 0.037 4.357 4.320 0.001 0.000 0.216 310 A C 2.684 180.232 177.584 -0.060 0.000 1.181 310 A CA 2.162 54.184 52.037 -0.024 0.000 0.620 310 A CB -0.603 18.403 19.000 0.010 0.000 0.819 310 A HN 0.287 nan 8.150 nan 0.000 0.442 311 S N -0.179 115.472 115.700 -0.082 0.000 2.368 311 S HA -0.071 4.400 4.470 0.001 0.000 0.225 311 S C 2.332 176.846 174.600 -0.143 0.000 1.030 311 S CA 1.226 59.366 58.200 -0.100 0.000 0.999 311 S CB -0.489 62.650 63.200 -0.103 0.000 0.844 311 S HN 0.802 nan 8.310 nan 0.000 0.459 312 A N 1.549 124.250 122.820 -0.199 0.000 1.883 312 A HA -0.117 4.203 4.320 0.001 0.000 0.217 312 A C 2.055 179.517 177.584 -0.203 0.000 1.186 312 A CA 1.461 53.323 52.037 -0.290 0.000 0.624 312 A CB -0.839 17.941 19.000 -0.367 0.000 0.822 312 A HN 0.490 nan 8.150 nan 0.000 0.444 313 I N -0.679 119.823 120.570 -0.113 0.000 2.118 313 I HA -0.331 3.840 4.170 0.001 0.000 0.241 313 I C 2.599 178.715 176.117 -0.002 0.000 1.070 313 I CA 2.043 63.352 61.300 0.015 0.000 1.327 313 I CB -0.459 37.588 38.000 0.078 0.000 1.034 313 I HN 0.551 nan 8.210 nan 0.000 0.405 314 E N 1.043 121.225 120.200 -0.030 0.000 2.049 314 E HA -0.309 4.041 4.350 0.001 0.000 0.198 314 E C 2.242 178.824 176.600 -0.030 0.000 1.007 314 E CA 1.719 58.103 56.400 -0.027 0.000 0.809 314 E CB -0.101 29.574 29.700 -0.042 0.000 0.749 314 E HN 0.514 nan 8.360 nan 0.000 0.450 315 A N 0.704 123.480 122.820 -0.073 0.000 1.902 315 A HA -0.155 4.165 4.320 0.001 0.000 0.217 315 A C 2.177 179.724 177.584 -0.062 0.000 1.181 315 A CA 1.383 53.374 52.037 -0.077 0.000 0.623 315 A CB -0.546 18.363 19.000 -0.151 0.000 0.818 315 A HN 0.347 nan 8.150 nan 0.000 0.443 316 I N -0.453 120.054 120.570 -0.105 0.000 2.353 316 I HA -0.209 3.962 4.170 0.001 0.000 0.248 316 I C 2.316 178.477 176.117 0.075 0.000 1.119 316 I CA 0.821 62.056 61.300 -0.108 0.000 1.417 316 I CB -0.248 37.659 38.000 -0.155 0.000 1.078 316 I HN 0.288 nan 8.210 nan 0.000 0.421 317 L N -0.172 121.093 121.223 0.070 0.000 2.046 317 L HA -0.237 4.103 4.340 0.001 0.000 0.208 317 L C 2.564 179.491 176.870 0.095 0.000 1.077 317 L CA 0.938 55.835 54.840 0.094 0.000 0.747 317 L CB -0.563 41.533 42.059 0.062 0.000 0.896 317 L HN 0.282 nan 8.230 nan 0.000 0.432 318 L N 0.068 121.336 121.223 0.075 0.000 1.970 318 L HA -0.228 4.113 4.340 0.001 0.000 0.212 318 L C 2.376 179.326 176.870 0.134 0.000 1.071 318 L CA 1.803 56.696 54.840 0.088 0.000 0.751 318 L CB -0.603 41.498 42.059 0.071 0.000 0.889 318 L HN 0.090 nan 8.230 nan 0.000 0.432 319 L N -0.530 120.795 121.223 0.170 0.000 2.081 319 L HA -0.246 4.094 4.340 0.001 0.000 0.212 319 L C 2.644 179.661 176.870 0.244 0.000 1.080 319 L CA 1.291 56.287 54.840 0.259 0.000 0.754 319 L CB -0.949 41.298 42.059 0.312 0.000 0.893 319 L HN 0.433 nan 8.230 nan 0.000 0.433 320 A N 0.133 123.126 122.820 0.287 0.000 1.986 320 A HA -0.240 4.080 4.320 0.001 0.000 0.220 320 A C 2.315 179.894 177.584 -0.008 0.000 1.171 320 A CA 1.595 53.729 52.037 0.161 0.000 0.640 320 A CB -0.531 18.597 19.000 0.213 0.000 0.811 320 A HN 0.383 nan 8.150 nan 0.000 0.451 321 R N -0.720 119.801 120.500 0.035 0.000 2.159 321 R HA -0.098 4.243 4.340 0.001 0.000 0.237 321 R C 1.970 178.251 176.300 -0.031 0.000 1.131 321 R CA 1.216 57.319 56.100 0.005 0.000 0.982 321 R CB -0.333 29.989 30.300 0.037 0.000 0.868 321 R HN 0.510 nan 8.270 nan 0.000 0.453 322 A N -0.036 122.760 122.820 -0.040 0.000 2.308 322 A HA 0.190 4.511 4.320 0.001 0.000 0.217 322 A C 0.578 178.050 177.584 -0.187 0.000 1.216 322 A CA -0.030 51.965 52.037 -0.069 0.000 0.864 322 A CB 0.250 19.254 19.000 0.007 0.000 0.902 322 A HN -0.004 nan 8.150 nan 0.000 0.499 323 M N 1.617 121.045 119.600 -0.287 0.000 2.283 323 M HA 0.188 4.668 4.480 0.001 0.000 0.314 323 M C -0.027 176.088 176.300 -0.309 0.000 1.153 323 M CA -0.851 54.188 55.300 -0.434 0.000 1.084 323 M CB 0.109 32.274 32.600 -0.725 0.000 1.468 323 M HN 0.495 nan 8.290 nan 0.000 0.474 324 D N 1.100 121.323 120.400 -0.295 0.000 2.390 324 D HA -0.004 4.636 4.640 0.001 0.000 0.236 324 D C -2.105 174.058 176.300 -0.228 0.000 1.189 324 D CA -0.961 52.910 54.000 -0.215 0.000 0.887 324 D CB 0.184 40.874 40.800 -0.183 0.000 1.198 324 D HN 0.225 nan 8.370 nan 0.000 0.444 325 P HA -0.163 nan 4.420 nan 0.000 0.216 325 P C 1.364 178.564 177.300 -0.167 0.000 1.153 325 P CA 2.295 65.307 63.100 -0.148 0.000 0.858 325 P CB -0.028 31.610 31.700 -0.104 0.000 0.789 326 A N -1.156 121.565 122.820 -0.164 0.000 1.877 326 A HA -0.167 4.153 4.320 0.001 0.000 0.216 326 A C 2.274 179.716 177.584 -0.237 0.000 1.186 326 A CA 2.383 54.324 52.037 -0.160 0.000 0.620 326 A CB -1.792 17.132 19.000 -0.126 0.000 0.822 326 A HN 0.150 nan 8.150 nan 0.000 0.443 327 T N 0.114 114.458 114.554 -0.349 0.000 2.770 327 T HA 0.060 4.410 4.350 0.001 0.000 0.263 327 T C 2.275 176.510 174.700 -0.775 0.000 1.039 327 T CA 1.418 63.151 62.100 -0.611 0.000 1.142 327 T CB -0.490 67.938 68.868 -0.732 0.000 0.868 327 T HN 0.591 nan 8.240 nan 0.000 0.435 328 A N 1.714 124.195 122.820 -0.566 0.000 1.884 328 A HA -0.054 4.266 4.320 0.001 0.000 0.219 328 A C 2.623 180.091 177.584 -0.194 0.000 1.197 328 A CA 2.253 54.071 52.037 -0.364 0.000 0.637 328 A CB -1.234 17.624 19.000 -0.236 0.000 0.827 328 A HN 0.529 nan 8.150 nan 0.000 0.450 329 A N -0.761 121.959 122.820 -0.167 0.000 1.898 329 A HA -0.089 4.231 4.320 0.001 0.000 0.216 329 A C 2.159 179.703 177.584 -0.067 0.000 1.181 329 A CA 2.082 54.062 52.037 -0.095 0.000 0.620 329 A CB -0.437 18.509 19.000 -0.091 0.000 0.819 329 A HN 0.485 nan 8.150 nan 0.000 0.442 330 R N -0.709 119.736 120.500 -0.092 0.000 2.083 330 R HA -0.176 4.164 4.340 0.001 0.000 0.237 330 R C 1.737 178.108 176.300 0.117 0.000 1.137 330 R CA 2.123 58.214 56.100 -0.015 0.000 0.951 330 R CB -0.786 29.499 30.300 -0.024 0.000 0.851 330 R HN 0.651 nan 8.270 nan 0.000 0.434 331 W N 0.783 122.030 121.300 -0.088 0.000 2.388 331 W HA 0.025 4.685 4.660 0.001 0.000 0.294 331 W C 2.189 178.650 176.519 -0.098 0.000 1.212 331 W CA 0.879 58.176 57.345 -0.081 0.000 1.271 331 W CB -0.734 28.695 29.460 -0.051 0.000 1.126 331 W HN 0.207 nan 8.180 nan 0.000 0.535 332 R N -0.412 120.173 120.500 0.142 0.000 2.075 332 R HA -0.067 4.273 4.340 0.001 0.000 0.232 332 R C 2.576 178.860 176.300 -0.026 0.000 1.126 332 R CA 1.502 57.631 56.100 0.048 0.000 0.963 332 R CB -1.105 29.207 30.300 0.020 0.000 0.858 332 R HN 0.185 nan 8.270 nan 0.000 0.435 333 G N 0.979 109.750 108.800 -0.049 0.000 2.422 333 G HA2 -0.215 3.745 3.960 0.001 0.000 0.218 333 G HA3 -0.215 3.745 3.960 0.001 0.000 0.218 333 G C 1.417 176.182 174.900 -0.226 0.000 1.146 333 G CA 0.432 45.467 45.100 -0.107 0.000 0.769 333 G HN 0.112 nan 8.290 nan 0.000 0.547 334 L N 0.089 121.132 121.223 -0.299 0.000 2.017 334 L HA -0.133 4.208 4.340 0.001 0.000 0.208 334 L C 3.099 179.417 176.870 -0.920 0.000 1.073 334 L CA 1.029 55.421 54.840 -0.747 0.000 0.745 334 L CB -0.646 40.943 42.059 -0.783 0.000 0.894 334 L HN 0.247 nan 8.230 nan 0.000 0.432 335 C N -0.180 118.890 119.300 -0.382 0.000 2.413 335 C HA -0.173 4.287 4.460 0.001 0.000 0.276 335 C C 3.144 178.117 174.990 -0.028 0.000 1.248 335 C CA 0.685 59.696 59.018 -0.012 0.000 1.742 335 C CB -1.174 26.634 27.740 0.114 0.000 2.017 335 C HN 0.626 nan 8.230 nan 0.000 0.481 336 A N 0.786 123.555 122.820 -0.085 0.000 1.933 336 A HA 0.073 4.394 4.320 0.001 0.000 0.218 336 A C 2.370 179.919 177.584 -0.059 0.000 1.175 336 A CA 2.053 54.062 52.037 -0.047 0.000 0.628 336 A CB -1.150 17.820 19.000 -0.051 0.000 0.814 336 A HN 0.560 nan 8.150 nan 0.000 0.444 337 G N -1.089 107.614 108.800 -0.162 0.000 2.433 337 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 337 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 337 G C 1.368 176.248 174.900 -0.032 0.000 1.186 337 G CA 0.954 45.953 45.100 -0.169 0.000 0.779 337 G HN 0.590 nan 8.290 nan 0.000 0.543 338 W N 0.739 122.050 121.300 0.018 0.000 2.374 338 W HA 0.076 4.737 4.660 0.001 0.000 0.288 338 W C 2.443 178.991 176.519 0.048 0.000 1.218 338 W CA 0.195 57.558 57.345 0.031 0.000 1.245 338 W CB -0.866 28.601 29.460 0.011 0.000 1.126 338 W HN 0.216 nan 8.180 nan 0.000 0.545 339 I N 0.297 121.004 120.570 0.228 0.000 2.162 339 I HA -0.226 3.945 4.170 0.001 0.000 0.238 339 I C 2.658 178.837 176.117 0.103 0.000 1.076 339 I CA 1.642 63.027 61.300 0.141 0.000 1.353 339 I CB -1.046 37.008 38.000 0.090 0.000 1.063 339 I HN -0.197 nan 8.210 nan 0.000 0.408 340 A N 0.843 123.706 122.820 0.070 0.000 1.933 340 A HA -0.178 4.142 4.320 0.001 0.000 0.218 340 A C 2.313 179.936 177.584 0.066 0.000 1.175 340 A CA 1.429 53.495 52.037 0.049 0.000 0.628 340 A CB -0.603 18.411 19.000 0.023 0.000 0.814 340 A HN 0.338 nan 8.150 nan 0.000 0.444 341 R N -0.442 120.113 120.500 0.091 0.000 2.280 341 R HA -0.045 4.295 4.340 0.001 0.000 0.207 341 R C -0.176 176.208 176.300 0.141 0.000 1.043 341 R CA 0.765 56.931 56.100 0.110 0.000 1.006 341 R CB -0.145 30.231 30.300 0.127 0.000 0.885 341 R HN 0.420 nan 8.270 nan 0.000 0.467 342 D N 0.800 121.290 120.400 0.150 0.000 2.500 342 D HA 0.002 4.642 4.640 0.001 0.000 0.219 342 D C 0.642 176.993 176.300 0.085 0.000 1.137 342 D CA -0.132 53.965 54.000 0.162 0.000 0.946 342 D CB 0.930 41.862 40.800 0.220 0.000 1.022 342 D HN 0.077 nan 8.370 nan 0.000 0.518 343 T N 0.110 114.712 114.554 0.080 0.000 3.107 343 T HA -0.045 4.305 4.350 0.001 0.000 0.249 343 T C 1.468 176.183 174.700 0.024 0.000 1.096 343 T CA -0.030 62.093 62.100 0.039 0.000 1.012 343 T CB -0.374 68.519 68.868 0.042 0.000 0.977 343 T HN 0.365 nan 8.240 nan 0.000 0.527 344 Y N 2.022 122.245 120.300 -0.128 0.000 2.262 344 Y HA 0.391 4.941 4.550 0.001 0.000 0.295 344 Y C 0.924 176.663 175.900 -0.268 0.000 1.121 344 Y CA 0.256 58.233 58.100 -0.206 0.000 1.144 344 Y CB 0.513 38.821 38.460 -0.252 0.000 1.043 344 Y HN -0.070 nan 8.280 nan 0.000 0.528 345 R N 1.466 121.674 120.500 -0.487 0.000 2.629 345 R HA 0.325 4.665 4.340 0.001 0.000 0.277 345 R C -2.984 173.197 176.300 -0.199 0.000 1.637 345 R CA -2.288 53.539 56.100 -0.455 0.000 1.663 345 R CB 0.285 30.268 30.300 -0.528 0.000 1.228 345 R HN 0.175 nan 8.270 nan 0.000 0.632 346 P HA 0.050 nan 4.420 nan 0.000 0.264 346 P C 1.221 178.491 177.300 -0.050 0.000 1.183 346 P CA 0.051 63.113 63.100 -0.064 0.000 0.763 346 P CB 0.802 32.464 31.700 -0.063 0.000 0.807 347 I N 2.967 123.529 120.570 -0.014 0.000 2.361 347 I HA -0.213 3.958 4.170 0.001 0.000 0.251 347 I C 1.398 177.488 176.117 -0.045 0.000 1.133 347 I CA 1.396 62.689 61.300 -0.011 0.000 1.413 347 I CB 0.062 38.071 38.000 0.015 0.000 1.073 347 I HN 0.325 nan 8.210 nan 0.000 0.424 348 L N 0.380 121.568 121.223 -0.058 0.000 2.492 348 L HA -0.003 4.337 4.340 0.001 0.000 0.223 348 L C 0.271 177.090 176.870 -0.084 0.000 1.132 348 L CA -0.133 54.656 54.840 -0.084 0.000 0.850 348 L CB -0.678 41.324 42.059 -0.095 0.000 0.966 348 L HN 0.223 nan 8.230 nan 0.000 0.454 349 N N 0.406 119.059 118.700 -0.078 0.000 2.468 349 N HA -0.012 4.728 4.740 0.001 0.000 0.265 349 N C 0.863 176.327 175.510 -0.076 0.000 1.199 349 N CA 0.346 53.348 53.050 -0.081 0.000 0.928 349 N CB 0.923 39.353 38.487 -0.095 0.000 1.059 349 N HN -0.052 nan 8.380 nan 0.000 0.467 350 S N -1.265 114.393 115.700 -0.071 0.000 3.358 350 S HA -0.245 4.225 4.470 0.001 0.000 0.309 350 S C 0.342 174.902 174.600 -0.066 0.000 1.247 350 S CA 0.853 59.015 58.200 -0.064 0.000 0.961 350 S CB -1.387 61.776 63.200 -0.061 0.000 1.074 350 S HN 0.911 nan 8.310 nan 0.000 0.625 351 A N 1.839 124.613 122.820 -0.078 0.000 2.462 351 A HA 0.562 4.882 4.320 0.001 0.000 0.243 351 A C 0.937 178.470 177.584 -0.084 0.000 1.076 351 A CA 0.365 52.352 52.037 -0.084 0.000 0.773 351 A CB 0.239 19.175 19.000 -0.106 0.000 1.010 351 A HN 1.154 nan 8.150 nan 0.000 0.493 352 S N 1.516 117.173 115.700 -0.071 0.000 2.598 352 S HA 0.175 4.646 4.470 0.001 0.000 0.256 352 S C 1.207 175.764 174.600 -0.072 0.000 1.350 352 S CA -0.047 58.117 58.200 -0.059 0.000 0.984 352 S CB 0.361 63.531 63.200 -0.050 0.000 0.930 352 S HN 0.772 nan 8.310 nan 0.000 0.577 353 V N 1.834 121.730 119.914 -0.030 0.000 2.295 353 V HA -0.052 4.068 4.120 0.001 0.000 0.246 353 V C -0.674 175.432 176.094 0.020 0.000 1.049 353 V CA 1.725 64.036 62.300 0.018 0.000 1.024 353 V CB -2.080 29.807 31.823 0.106 0.000 0.648 353 V HN 0.714 nan 8.190 nan 0.000 0.447 354 P HA -0.165 nan 4.420 nan 0.000 0.216 354 P C 1.735 179.016 177.300 -0.032 0.000 1.153 354 P CA 1.457 64.551 63.100 -0.010 0.000 0.848 354 P CB -0.086 31.585 31.700 -0.049 0.000 0.787 355 R N -0.616 119.848 120.500 -0.060 0.000 2.075 355 R HA -0.087 4.253 4.340 0.001 0.000 0.232 355 R C 1.918 178.155 176.300 -0.105 0.000 1.126 355 R CA 1.982 58.041 56.100 -0.068 0.000 0.963 355 R CB -0.948 29.310 30.300 -0.070 0.000 0.858 355 R HN 0.080 nan 8.270 nan 0.000 0.435 356 T N 0.783 115.226 114.554 -0.185 0.000 2.684 356 T HA -0.181 4.169 4.350 0.001 0.000 0.267 356 T C 1.854 176.362 174.700 -0.321 0.000 1.036 356 T CA 1.525 63.408 62.100 -0.362 0.000 1.148 356 T CB -0.434 68.031 68.868 -0.671 0.000 0.863 356 T HN 0.476 nan 8.240 nan 0.000 0.436 357 A N 1.215 123.957 122.820 -0.131 0.000 1.892 357 A HA -0.068 4.253 4.320 0.001 0.000 0.218 357 A C 2.335 179.957 177.584 0.063 0.000 1.188 357 A CA 1.503 53.629 52.037 0.148 0.000 0.631 357 A CB -0.984 18.160 19.000 0.240 0.000 0.822 357 A HN 0.480 nan 8.150 nan 0.000 0.447 358 L N -0.746 120.488 121.223 0.018 0.000 2.083 358 L HA -0.147 4.194 4.340 0.001 0.000 0.209 358 L C 2.500 179.375 176.870 0.009 0.000 1.083 358 L CA 0.936 55.787 54.840 0.019 0.000 0.752 358 L CB -0.396 41.671 42.059 0.013 0.000 0.899 358 L HN 0.254 nan 8.230 nan 0.000 0.433 359 V N -0.610 119.291 119.914 -0.021 0.000 2.358 359 V HA -0.213 3.907 4.120 0.001 0.000 0.246 359 V C 2.565 178.650 176.094 -0.015 0.000 1.047 359 V CA 1.387 63.674 62.300 -0.022 0.000 1.035 359 V CB -0.458 31.336 31.823 -0.048 0.000 0.658 359 V HN 0.353 nan 8.190 nan 0.000 0.452 360 K N 0.032 120.419 120.400 -0.022 0.000 2.026 360 K HA -0.242 4.078 4.320 0.001 0.000 0.208 360 K C 2.166 178.793 176.600 0.045 0.000 1.048 360 K CA 1.787 58.089 56.287 0.024 0.000 0.929 360 K CB -0.533 32.023 32.500 0.094 0.000 0.713 360 K HN 0.577 nan 8.250 nan 0.000 0.439 361 Q N 0.773 120.605 119.800 0.053 0.000 2.077 361 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 361 Q C 2.161 178.177 176.000 0.026 0.000 0.989 361 Q CA 1.664 57.492 55.803 0.043 0.000 0.853 361 Q CB -0.162 28.603 28.738 0.044 0.000 0.907 361 Q HN 0.186 nan 8.270 nan 0.000 0.418 362 L N 1.096 122.332 121.223 0.022 0.000 1.994 362 L HA -0.186 4.154 4.340 0.001 0.000 0.208 362 L C 2.283 179.159 176.870 0.009 0.000 1.071 362 L CA 2.500 57.350 54.840 0.016 0.000 0.745 362 L CB -0.782 41.288 42.059 0.019 0.000 0.892 362 L HN 0.384 nan 8.230 nan 0.000 0.431 363 E N -0.444 119.762 120.200 0.009 0.000 2.160 363 E HA -0.263 4.087 4.350 0.001 0.000 0.195 363 E C 1.944 178.548 176.600 0.007 0.000 0.991 363 E CA 1.173 57.577 56.400 0.006 0.000 0.810 363 E CB -0.173 29.531 29.700 0.006 0.000 0.742 363 E HN 0.640 nan 8.360 nan 0.000 0.466 364 A N 0.584 123.412 122.820 0.013 0.000 2.015 364 A HA -0.141 4.179 4.320 0.001 0.000 0.219 364 A C 2.345 179.930 177.584 0.003 0.000 1.163 364 A CA 1.819 53.863 52.037 0.011 0.000 0.646 364 A CB -0.897 18.113 19.000 0.018 0.000 0.806 364 A HN 0.520 nan 8.150 nan 0.000 0.448 365 T N -3.879 110.675 114.554 0.000 0.000 2.995 365 T HA 0.268 4.618 4.350 0.001 0.000 0.269 365 T C 1.685 176.378 174.700 -0.011 0.000 1.091 365 T CA 1.278 63.373 62.100 -0.007 0.000 1.128 365 T CB -0.485 68.377 68.868 -0.010 0.000 0.891 365 T HN 1.642 nan 8.240 nan 0.000 0.492 366 G N 0.801 109.596 108.800 -0.009 0.000 2.189 366 G HA2 -0.274 3.686 3.960 0.001 0.000 0.267 366 G HA3 -0.274 3.686 3.960 0.001 0.000 0.267 366 G C 0.228 175.117 174.900 -0.018 0.000 0.975 366 G CA 0.087 45.180 45.100 -0.012 0.000 0.644 366 G HN 0.768 nan 8.290 nan 0.000 0.537 367 V N 1.483 121.385 119.914 -0.021 0.000 2.625 367 V HA 0.323 4.443 4.120 0.001 0.000 0.305 367 V C 1.337 177.412 176.094 -0.033 0.000 1.055 367 V CA 0.604 62.886 62.300 -0.029 0.000 1.209 367 V CB 0.435 32.240 31.823 -0.030 0.000 0.877 367 V HN 1.192 nan 8.190 nan 0.000 0.489 368 A N 8.906 131.704 122.820 -0.038 0.000 2.351 368 A HA 0.596 4.916 4.320 0.001 0.000 0.257 368 A C -1.915 175.634 177.584 -0.058 0.000 1.087 368 A CA -1.337 50.675 52.037 -0.041 0.000 0.798 368 A CB 0.036 19.013 19.000 -0.038 0.000 1.033 368 A HN 0.730 nan 8.150 nan 0.000 0.488 369 P HA 0.232 nan 4.420 nan 0.000 0.276 369 P C -0.642 176.595 177.300 -0.106 0.000 1.243 369 P CA 0.037 63.085 63.100 -0.087 0.000 0.768 369 P CB 0.754 32.417 31.700 -0.062 0.000 0.856 370 V N 3.695 123.515 119.914 -0.157 0.000 2.498 370 V HA 0.363 4.483 4.120 0.001 0.000 0.279 370 V C 1.076 177.065 176.094 -0.176 0.000 1.048 370 V CA -0.502 61.703 62.300 -0.158 0.000 0.967 370 V CB 0.750 32.468 31.823 -0.175 0.000 0.988 370 V HN 0.717 nan 8.190 nan 0.000 0.473 371 A N 4.345 127.095 122.820 -0.116 0.000 2.366 371 A HA 0.389 4.710 4.320 0.001 0.000 0.249 371 A C 0.280 177.809 177.584 -0.092 0.000 1.084 371 A CA -0.443 51.540 52.037 -0.090 0.000 0.794 371 A CB 0.125 19.088 19.000 -0.062 0.000 1.034 371 A HN 0.861 nan 8.150 nan 0.000 0.491 372 E N 0.684 120.850 120.200 -0.056 0.000 2.290 372 E HA 0.383 4.733 4.350 0.001 0.000 0.277 372 E C 0.119 176.682 176.600 -0.061 0.000 1.035 372 E CA -0.166 56.217 56.400 -0.029 0.000 0.873 372 E CB 0.982 30.698 29.700 0.026 0.000 1.029 372 E HN 0.709 nan 8.360 nan 0.000 0.419 373 A N 3.392 126.178 122.820 -0.056 0.000 2.450 373 A HA 0.137 4.458 4.320 0.001 0.000 0.255 373 A C 0.664 178.175 177.584 -0.121 0.000 1.096 373 A CA -0.493 51.497 52.037 -0.077 0.000 0.778 373 A CB 0.018 18.983 19.000 -0.058 0.000 1.031 373 A HN 0.683 nan 8.150 nan 0.000 0.494 374 T N 0.751 115.215 114.554 -0.149 0.000 2.855 374 T HA 0.532 4.883 4.350 0.001 0.000 0.314 374 T C 0.821 175.388 174.700 -0.222 0.000 1.077 374 T CA 0.484 62.453 62.100 -0.218 0.000 1.095 374 T CB 0.691 69.443 68.868 -0.193 0.000 0.987 374 T HN 2.620 nan 8.240 nan 0.000 0.546 375 G N 0.983 109.582 108.800 -0.334 0.000 2.396 375 G HA2 0.088 4.048 3.960 0.001 0.000 0.254 375 G HA3 0.088 4.048 3.960 0.001 0.000 0.254 375 G C -1.220 173.365 174.900 -0.525 0.000 1.248 375 G CA -0.672 44.157 45.100 -0.452 0.000 1.033 375 G HN 1.141 nan 8.290 nan 0.000 0.502 376 H N 0.806 119.870 119.070 -0.010 0.000 2.538 376 H HA 0.637 5.194 4.556 0.001 0.000 0.353 376 H C -0.390 174.866 175.328 -0.121 0.000 1.109 376 H CA -0.476 55.546 56.048 -0.043 0.000 1.192 376 H CB 1.960 31.759 29.762 0.062 0.000 1.555 376 H HN 0.409 nan 8.280 nan 0.000 0.518 377 K N 3.630 123.971 120.400 -0.099 0.000 2.507 377 K HA 0.418 4.739 4.320 0.001 0.000 0.252 377 K C -0.613 175.776 176.600 -0.352 0.000 0.943 377 K CA -0.530 55.624 56.287 -0.221 0.000 0.808 377 K CB 2.451 34.866 32.500 -0.143 0.000 1.142 377 K HN 0.462 nan 8.250 nan 0.000 0.426 378 L N 2.729 123.672 121.223 -0.467 0.000 2.334 378 L HA 0.583 4.924 4.340 0.001 0.000 0.276 378 L C -0.475 176.044 176.870 -0.585 0.000 1.014 378 L CA -0.916 53.732 54.840 -0.320 0.000 0.815 378 L CB 0.855 42.834 42.059 -0.134 0.000 1.268 378 L HN 0.458 nan 8.230 nan 0.000 0.428 379 F N 2.271 122.196 119.950 -0.041 0.000 2.622 379 F HA 0.332 4.859 4.527 0.001 0.000 0.338 379 F C -1.799 173.962 175.800 -0.064 0.000 1.334 379 F CA -1.386 56.583 58.000 -0.052 0.000 1.179 379 F CB 0.787 39.748 39.000 -0.066 0.000 1.471 379 F HN 0.291 nan 8.300 nan 0.000 0.576 380 P HA -0.188 nan 4.420 nan 0.000 0.218 380 P C 1.637 178.918 177.300 -0.032 0.000 1.148 380 P CA 1.303 64.417 63.100 0.024 0.000 0.822 380 P CB 0.287 31.992 31.700 0.009 0.000 0.784 381 A N 0.065 122.818 122.820 -0.111 0.000 2.070 381 A HA -0.102 4.218 4.320 0.001 0.000 0.220 381 A C 1.812 179.162 177.584 -0.389 0.000 1.159 381 A CA 1.631 53.455 52.037 -0.355 0.000 0.656 381 A CB -1.197 17.325 19.000 -0.798 0.000 0.800 381 A HN 0.360 nan 8.150 nan 0.000 0.453 382 M N -3.706 115.769 119.600 -0.208 0.000 2.502 382 M HA 0.354 4.835 4.480 0.001 0.000 0.351 382 M C -0.697 175.568 176.300 -0.059 0.000 1.118 382 M CA -0.066 55.139 55.300 -0.160 0.000 0.952 382 M CB 0.294 32.798 32.600 -0.161 0.000 1.424 382 M HN -0.015 nan 8.290 nan 0.000 0.529 383 D N 2.087 122.481 120.400 -0.010 0.000 2.723 383 D HA -0.119 4.521 4.640 0.001 0.000 0.236 383 D C -0.760 175.565 176.300 0.041 0.000 1.138 383 D CA 0.836 54.857 54.000 0.036 0.000 0.676 383 D CB -0.473 40.343 40.800 0.028 0.000 1.069 383 D HN 0.503 nan 8.370 nan 0.000 0.430 384 R N -0.346 120.195 120.500 0.069 0.000 2.686 384 R HA 0.718 5.059 4.340 0.001 0.000 0.283 384 R C 0.314 176.707 176.300 0.155 0.000 0.978 384 R CA -0.500 55.642 56.100 0.069 0.000 0.897 384 R CB 1.992 32.290 30.300 -0.003 0.000 1.192 384 R HN 0.201 nan 8.270 nan 0.000 0.457 385 T N -1.081 113.528 114.554 0.091 0.000 2.903 385 T HA 0.679 5.030 4.350 0.001 0.000 0.299 385 T C -0.204 174.421 174.700 -0.125 0.000 1.093 385 T CA -0.907 61.209 62.100 0.026 0.000 1.002 385 T CB 1.763 70.668 68.868 0.062 0.000 1.127 385 T HN 0.183 nan 8.240 nan 0.000 0.488 386 M N 2.889 122.297 119.600 -0.319 0.000 2.393 386 M HA 0.447 4.928 4.480 0.001 0.000 0.316 386 M C -0.995 174.975 176.300 -0.550 0.000 1.087 386 M CA -0.501 54.630 55.300 -0.281 0.000 0.937 386 M CB 1.871 34.448 32.600 -0.039 0.000 1.668 386 M HN 0.811 nan 8.290 nan 0.000 0.438 387 H N 2.125 121.284 119.070 0.149 0.000 2.759 387 H HA 0.591 5.147 4.556 0.001 0.000 0.354 387 H C -0.833 174.466 175.328 -0.049 0.000 1.074 387 H CA -0.673 55.479 56.048 0.173 0.000 1.226 387 H CB 2.317 32.350 29.762 0.452 0.000 1.648 387 H HN 0.558 nan 8.280 nan 0.000 0.529 388 R N 0.936 121.251 120.500 -0.308 0.000 2.744 388 R HA 0.659 5.000 4.340 0.001 0.000 0.279 388 R C -0.238 175.411 176.300 -1.086 0.000 0.977 388 R CA -0.856 54.796 56.100 -0.747 0.000 0.906 388 R CB 2.814 32.866 30.300 -0.413 0.000 1.197 388 R HN 0.779 nan 8.270 nan 0.000 0.463 389 G N 1.426 109.161 108.800 -1.774 0.000 2.766 389 G HA2 0.489 4.449 3.960 0.001 0.000 0.288 389 G HA3 0.489 4.449 3.960 0.001 0.000 0.288 389 G C -2.861 171.606 174.900 -0.721 0.000 1.408 389 G CA -1.543 42.974 45.100 -0.972 0.000 0.852 389 G HN 0.228 nan 8.290 nan 0.000 0.487 390 P HA 0.212 nan 4.420 nan 0.000 0.258 390 P C 0.943 178.256 177.300 0.021 0.000 1.187 390 P CA 1.934 64.988 63.100 -0.077 0.000 0.767 390 P CB 0.654 32.370 31.700 0.028 0.000 0.770 391 G N 1.920 110.726 108.800 0.010 0.000 2.176 391 G HA2 -0.156 3.804 3.960 0.001 0.000 0.253 391 G HA3 -0.156 3.804 3.960 0.001 0.000 0.253 391 G C -0.334 174.727 174.900 0.267 0.000 0.979 391 G CA -0.054 45.129 45.100 0.139 0.000 0.641 391 G HN 0.617 nan 8.290 nan 0.000 0.530 392 W N -1.437 119.938 121.300 0.124 0.000 3.137 392 W HA 0.784 5.444 4.660 0.001 0.000 0.324 392 W C -0.768 175.881 176.519 0.216 0.000 1.253 392 W CA -1.484 55.984 57.345 0.205 0.000 1.183 392 W CB 1.205 30.807 29.460 0.236 0.000 1.424 392 W HN 1.075 nan 8.180 nan 0.000 0.566 393 A N 3.239 126.391 122.820 0.553 0.000 2.414 393 A HA 0.578 4.899 4.320 0.001 0.000 0.286 393 A C -2.085 175.846 177.584 0.577 0.000 1.073 393 A CA -0.640 51.607 52.037 0.350 0.000 0.727 393 A CB 1.409 20.492 19.000 0.138 0.000 1.215 393 A HN 0.749 nan 8.150 nan 0.000 0.430 394 L N 2.686 124.275 121.223 0.609 0.000 2.289 394 L HA 0.780 5.120 4.340 0.001 0.000 0.285 394 L C 0.127 177.138 176.870 0.236 0.000 1.049 394 L CA 0.238 55.248 54.840 0.284 0.000 0.804 394 L CB 1.747 43.878 42.059 0.121 0.000 1.195 394 L HN 0.569 nan 8.230 nan 0.000 0.428 395 S N 6.072 121.861 115.700 0.149 0.000 2.566 395 S HA 0.589 5.060 4.470 0.001 0.000 0.324 395 S C -0.656 173.989 174.600 0.074 0.000 1.081 395 S CA -0.736 57.519 58.200 0.093 0.000 1.105 395 S CB 0.132 63.339 63.200 0.012 0.000 0.981 395 S HN 0.647 nan 8.310 nan 0.000 0.464 396 L N 4.043 125.255 121.223 -0.018 0.000 2.326 396 L HA 0.682 5.023 4.340 0.001 0.000 0.278 396 L C 0.342 177.171 176.870 -0.068 0.000 1.092 396 L CA -0.659 54.067 54.840 -0.189 0.000 0.810 396 L CB 1.308 43.096 42.059 -0.452 0.000 1.153 396 L HN 0.754 nan 8.230 nan 0.000 0.439 397 A N 5.585 128.393 122.820 -0.019 0.000 2.285 397 A HA 0.757 5.078 4.320 0.001 0.000 0.310 397 A C -0.503 177.114 177.584 0.054 0.000 1.266 397 A CA -0.486 51.590 52.037 0.064 0.000 0.832 397 A CB 0.563 19.688 19.000 0.208 0.000 1.163 397 A HN 0.649 nan 8.150 nan 0.000 0.499 398 L N 1.417 122.669 121.223 0.048 0.000 2.341 398 L HA 0.878 5.218 4.340 0.001 0.000 0.267 398 L C 0.549 177.456 176.870 0.062 0.000 1.022 398 L CA -0.835 54.056 54.840 0.085 0.000 0.844 398 L CB 1.909 44.030 42.059 0.103 0.000 1.436 398 L HN 0.779 nan 8.230 nan 0.000 0.483 399 S N -0.985 114.732 115.700 0.027 0.000 2.625 399 S HA 0.886 5.357 4.470 0.001 0.000 0.271 399 S C -0.840 173.690 174.600 -0.117 0.000 1.161 399 S CA -0.177 57.974 58.200 -0.081 0.000 0.820 399 S CB 1.873 64.958 63.200 -0.193 0.000 1.137 399 S HN 0.981 nan 8.310 nan 0.000 0.470 400 S N -0.014 115.578 115.700 -0.181 0.000 2.671 400 S HA 0.351 4.822 4.470 0.001 0.000 0.270 400 S C -0.150 174.365 174.600 -0.143 0.000 1.166 400 S CA -0.229 57.905 58.200 -0.110 0.000 0.868 400 S CB -0.229 62.982 63.200 0.018 0.000 1.190 400 S HN 1.132 nan 8.310 nan 0.000 0.494 401 N N 0.088 118.754 118.700 -0.055 0.000 2.571 401 N HA 0.082 4.822 4.740 0.001 0.000 0.189 401 N C 1.165 176.659 175.510 -0.027 0.000 1.154 401 N CA 0.436 53.459 53.050 -0.045 0.000 0.907 401 N CB -0.254 38.245 38.487 0.018 0.000 0.977 401 N HN 0.535 nan 8.380 nan 0.000 0.449 402 R N -0.724 119.762 120.500 -0.025 0.000 2.250 402 R HA 0.319 4.659 4.340 0.001 0.000 0.194 402 R C -0.298 175.980 176.300 -0.035 0.000 0.927 402 R CA 0.126 56.218 56.100 -0.013 0.000 1.052 402 R CB 0.676 30.976 30.300 -0.000 0.000 1.055 402 R HN 0.193 nan 8.270 nan 0.000 0.537 403 I N 1.264 121.793 120.570 -0.068 0.000 2.436 403 I HA 0.328 4.499 4.170 0.001 0.000 0.289 403 I C 0.138 176.191 176.117 -0.107 0.000 1.010 403 I CA -1.271 59.989 61.300 -0.066 0.000 1.098 403 I CB 1.334 39.300 38.000 -0.056 0.000 1.266 403 I HN 0.025 nan 8.210 nan 0.000 0.434 404 A N 6.324 129.117 122.820 -0.045 0.000 2.466 404 A HA 0.066 4.386 4.320 0.001 0.000 0.238 404 A C 1.051 178.692 177.584 0.096 0.000 1.074 404 A CA -0.039 52.001 52.037 0.005 0.000 0.774 404 A CB 0.115 19.174 19.000 0.099 0.000 1.015 404 A HN 0.829 nan 8.150 nan 0.000 0.498 405 W N 0.049 121.445 121.300 0.162 0.000 2.342 405 W HA -0.040 4.621 4.660 0.001 0.000 0.297 405 W C 0.650 177.351 176.519 0.303 0.000 1.213 405 W CA 2.318 59.786 57.345 0.205 0.000 1.251 405 W CB -0.728 28.868 29.460 0.226 0.000 1.136 405 W HN 0.808 nan 8.180 nan 0.000 0.526 406 Y N -2.888 117.572 120.300 0.266 0.000 2.774 406 Y HA 0.409 4.959 4.550 0.001 0.000 0.346 406 Y C -1.398 174.556 175.900 0.091 0.000 1.222 406 Y CA -1.585 56.587 58.100 0.120 0.000 1.088 406 Y CB 0.653 39.164 38.460 0.086 0.000 1.354 406 Y HN -0.178 nan 8.280 nan 0.000 0.455 407 E N 2.145 122.279 120.200 -0.111 0.000 2.158 407 E HA 0.631 4.982 4.350 0.001 0.000 0.271 407 E C -1.196 175.214 176.600 -0.316 0.000 0.911 407 E CA -0.788 55.477 56.400 -0.226 0.000 0.767 407 E CB 1.454 31.207 29.700 0.089 0.000 1.120 407 E HN 0.910 nan 8.360 nan 0.000 0.405 408 C N 2.134 121.092 119.300 -0.570 0.000 2.667 408 C HA 1.080 5.540 4.460 0.001 0.000 0.323 408 C C 0.361 174.841 174.990 -0.850 0.000 1.214 408 C CA -0.071 58.667 59.018 -0.467 0.000 1.721 408 C CB 0.425 27.990 27.740 -0.291 0.000 2.275 408 C HN 0.850 nan 8.230 nan 0.000 0.491 409 G N 1.362 109.685 108.800 -0.795 0.000 2.404 409 G HA2 0.473 4.433 3.960 0.001 0.000 0.298 409 G HA3 0.473 4.433 3.960 0.001 0.000 0.298 409 G C -0.804 173.885 174.900 -0.353 0.000 1.577 409 G CA -0.599 43.782 45.100 -1.198 0.000 0.847 409 G HN 1.105 nan 8.290 nan 0.000 0.598 410 N N -0.783 117.897 118.700 -0.032 0.000 2.708 410 N HA -0.183 4.557 4.740 0.001 0.000 0.249 410 N C 1.515 177.031 175.510 0.011 0.000 1.097 410 N CA 2.824 55.929 53.050 0.091 0.000 0.710 410 N CB -1.082 37.509 38.487 0.172 0.000 1.032 410 N HN 2.459 nan 8.380 nan 0.000 0.551 411 G N -1.056 107.722 108.800 -0.037 0.000 2.160 411 G HA2 -0.312 3.648 3.960 0.001 0.000 0.251 411 G HA3 -0.312 3.648 3.960 0.001 0.000 0.251 411 G C -0.369 174.513 174.900 -0.030 0.000 1.008 411 G CA 0.591 45.675 45.100 -0.028 0.000 0.724 411 G HN 0.600 nan 8.290 nan 0.000 0.514 412 E N -0.536 119.628 120.200 -0.060 0.000 2.210 412 E HA 0.508 4.858 4.350 0.001 0.000 0.266 412 E C 0.615 177.185 176.600 -0.051 0.000 0.883 412 E CA -0.808 55.571 56.400 -0.035 0.000 0.761 412 E CB 1.201 30.887 29.700 -0.023 0.000 1.156 412 E HN 0.138 nan 8.360 nan 0.000 0.412 413 N N 1.947 120.635 118.700 -0.021 0.000 2.782 413 N HA -0.183 4.557 4.740 0.001 0.000 0.251 413 N C 0.212 175.735 175.510 0.023 0.000 1.101 413 N CA 0.531 53.573 53.050 -0.013 0.000 0.764 413 N CB -1.035 37.459 38.487 0.012 0.000 1.122 413 N HN 0.494 nan 8.380 nan 0.000 0.561 414 N N -0.087 118.598 118.700 -0.025 0.000 2.348 414 N HA -0.117 4.624 4.740 0.001 0.000 0.185 414 N C 1.492 177.003 175.510 0.002 0.000 1.019 414 N CA 0.988 54.056 53.050 0.031 0.000 0.880 414 N CB -0.125 38.352 38.487 -0.018 0.000 0.965 414 N HN 0.516 nan 8.380 nan 0.000 0.437 415 R N 0.023 120.353 120.500 -0.283 0.000 2.359 415 R HA 0.162 4.502 4.340 0.001 0.000 0.231 415 R C 1.001 176.631 176.300 -1.115 0.000 0.913 415 R CA -0.086 55.588 56.100 -0.711 0.000 1.075 415 R CB 0.055 29.815 30.300 -0.901 0.000 1.087 415 R HN 0.036 nan 8.270 nan 0.000 0.515 416 G N 0.202 108.629 108.800 -0.622 0.000 3.379 416 G HA2 -0.092 3.869 3.960 0.001 0.000 0.253 416 G HA3 -0.092 3.869 3.960 0.001 0.000 0.253 416 G C 0.403 174.797 174.900 -0.843 0.000 1.262 416 G CA -0.363 44.504 45.100 -0.388 0.000 0.959 416 G HN 0.434 nan 8.290 nan 0.000 0.524 417 Y N -2.135 117.566 120.300 -0.998 0.000 2.571 417 Y HA 0.144 4.694 4.550 0.001 0.000 0.294 417 Y C 1.791 177.274 175.900 -0.696 0.000 1.141 417 Y CA -0.220 57.056 58.100 -1.374 0.000 1.308 417 Y CB -0.345 37.404 38.460 -1.184 0.000 1.002 417 Y HN 0.319 nan 8.280 nan 0.000 0.551 418 H N 0.070 119.096 119.070 -0.072 0.000 2.586 418 H HA 0.136 4.693 4.556 0.001 0.000 0.273 418 H C 1.633 177.024 175.328 0.104 0.000 0.997 418 H CA 0.923 57.013 56.048 0.070 0.000 1.177 418 H CB 0.033 29.843 29.762 0.080 0.000 1.471 418 H HN 0.549 nan 8.280 nan 0.000 0.538 419 T N -2.279 112.376 114.554 0.169 0.000 3.035 419 T HA -0.028 4.323 4.350 0.001 0.000 0.268 419 T C 1.947 176.788 174.700 0.236 0.000 1.109 419 T CA 0.923 63.159 62.100 0.227 0.000 1.119 419 T CB -0.203 68.790 68.868 0.208 0.000 0.900 419 T HN 0.295 nan 8.240 nan 0.000 0.503 420 G N 0.309 109.266 108.800 0.261 0.000 3.523 420 G HA2 0.312 4.272 3.960 0.001 0.000 0.270 420 G HA3 0.312 4.272 3.960 0.001 0.000 0.270 420 G C 0.620 175.687 174.900 0.278 0.000 1.134 420 G CA -0.467 44.784 45.100 0.251 0.000 0.825 420 G HN 0.454 nan 8.290 nan 0.000 0.534 421 S N 0.675 116.550 115.700 0.293 0.000 2.602 421 S HA 0.416 4.886 4.470 0.001 0.000 0.246 421 S C 1.355 176.127 174.600 0.287 0.000 1.009 421 S CA 0.235 58.616 58.200 0.301 0.000 1.052 421 S CB -0.014 63.380 63.200 0.324 0.000 0.778 421 S HN 1.096 nan 8.310 nan 0.000 0.455 422 G N 2.491 111.466 108.800 0.291 0.000 2.341 422 G HA2 -0.230 3.730 3.960 0.001 0.000 0.278 422 G HA3 -0.230 3.730 3.960 0.001 0.000 0.278 422 G C -0.079 174.964 174.900 0.238 0.000 1.111 422 G CA -0.390 44.935 45.100 0.376 0.000 0.982 422 G HN 0.458 nan 8.290 nan 0.000 0.502 423 M N 1.002 120.658 119.600 0.094 0.000 2.238 423 M HA 0.323 4.804 4.480 0.001 0.000 0.347 423 M C 1.040 177.283 176.300 -0.095 0.000 1.173 423 M CA 0.853 56.141 55.300 -0.020 0.000 1.147 423 M CB 0.701 33.222 32.600 -0.131 0.000 1.547 423 M HN 0.481 nan 8.290 nan 0.000 0.455 424 T N 0.274 114.775 114.554 -0.089 0.000 3.042 424 T HA 0.399 4.749 4.350 0.001 0.000 0.356 424 T C -0.826 173.779 174.700 -0.157 0.000 1.233 424 T CA -0.645 61.370 62.100 -0.141 0.000 1.038 424 T CB -0.446 68.476 68.868 0.089 0.000 1.089 424 T HN 0.360 nan 8.240 nan 0.000 0.531 425 Y N 2.375 122.552 120.300 -0.206 0.000 2.531 425 Y HA 0.362 4.913 4.550 0.001 0.000 0.347 425 Y C 0.073 175.937 175.900 -0.060 0.000 1.024 425 Y CA -1.123 56.848 58.100 -0.215 0.000 1.306 425 Y CB 0.056 38.331 38.460 -0.309 0.000 1.149 425 Y HN 0.571 nan 8.280 nan 0.000 0.527 426 F N 3.686 123.874 119.950 0.397 0.000 2.350 426 F HA 0.283 4.811 4.527 0.001 0.000 0.365 426 F C -0.460 175.621 175.800 0.470 0.000 1.122 426 F CA -0.970 57.311 58.000 0.468 0.000 1.139 426 F CB 0.108 39.392 39.000 0.473 0.000 1.220 426 F HN 0.367 nan 8.300 nan 0.000 0.499 427 Y N 1.702 122.338 120.300 0.561 0.000 2.319 427 Y HA 0.457 5.008 4.550 0.001 0.000 0.328 427 Y C 0.914 177.058 175.900 0.406 0.000 1.133 427 Y CA -0.430 57.932 58.100 0.436 0.000 1.265 427 Y CB 1.169 39.806 38.460 0.296 0.000 1.218 427 Y HN 0.646 nan 8.280 nan 0.000 0.508 428 T N -3.356 111.451 114.554 0.423 0.000 2.590 428 T HA 0.218 4.568 4.350 0.001 0.000 0.282 428 T C 0.862 175.701 174.700 0.233 0.000 0.989 428 T CA -0.189 62.113 62.100 0.337 0.000 1.091 428 T CB 0.575 69.629 68.868 0.309 0.000 1.460 428 T HN 0.398 nan 8.240 nan 0.000 0.499 429 S N -0.625 115.180 115.700 0.174 0.000 2.507 429 S HA 0.007 4.478 4.470 0.001 0.000 0.235 429 S C 0.606 175.259 174.600 0.089 0.000 0.988 429 S CA 0.786 59.062 58.200 0.126 0.000 0.944 429 S CB -0.843 62.418 63.200 0.101 0.000 0.762 429 S HN 0.749 nan 8.310 nan 0.000 0.526 430 D N 1.557 122.009 120.400 0.087 0.000 2.498 430 D HA 0.193 4.833 4.640 0.001 0.000 0.229 430 D C 0.899 177.176 176.300 -0.038 0.000 1.188 430 D CA -0.167 53.850 54.000 0.029 0.000 1.028 430 D CB -0.332 40.499 40.800 0.052 0.000 1.087 430 D HN 0.298 nan 8.370 nan 0.000 0.510 431 L N 1.890 123.058 121.223 -0.091 0.000 2.201 431 L HA 0.011 4.351 4.340 0.001 0.000 0.212 431 L C 2.243 178.818 176.870 -0.490 0.000 1.105 431 L CA 1.041 55.816 54.840 -0.109 0.000 0.775 431 L CB -0.067 41.984 42.059 -0.014 0.000 0.913 431 L HN 0.429 nan 8.230 nan 0.000 0.440 432 G N -1.243 107.024 108.800 -0.888 0.000 2.920 432 G HA2 -0.147 3.814 3.960 0.001 0.000 0.208 432 G HA3 -0.147 3.814 3.960 0.001 0.000 0.208 432 G C 1.316 176.101 174.900 -0.191 0.000 1.159 432 G CA -0.028 44.552 45.100 -0.867 0.000 0.784 432 G HN 0.215 nan 8.290 nan 0.000 0.535 433 Q N 0.910 120.556 119.800 -0.256 0.000 2.029 433 Q HA -0.228 4.112 4.340 0.001 0.000 0.209 433 Q C 1.460 177.021 176.000 -0.732 0.000 0.999 433 Q CA 1.854 57.329 55.803 -0.547 0.000 0.857 433 Q CB -0.550 27.652 28.738 -0.893 0.000 0.926 433 Q HN 0.647 nan 8.270 nan 0.000 0.415 434 Y N -1.195 118.927 120.300 -0.298 0.000 2.466 434 Y HA 0.179 4.729 4.550 0.001 0.000 0.272 434 Y C 1.143 177.086 175.900 0.071 0.000 1.169 434 Y CA 0.306 58.151 58.100 -0.425 0.000 1.285 434 Y CB 0.379 38.560 38.460 -0.466 0.000 1.078 434 Y HN 0.259 nan 8.280 nan 0.000 0.523 435 D N -0.383 120.195 120.400 0.297 0.000 2.422 435 D HA -0.080 4.560 4.640 0.001 0.000 0.218 435 D C 0.304 176.914 176.300 0.516 0.000 1.047 435 D CA 0.317 54.615 54.000 0.495 0.000 0.885 435 D CB 0.220 41.388 40.800 0.613 0.000 1.035 435 D HN 0.003 nan 8.370 nan 0.000 0.502 436 D N 0.197 120.838 120.400 0.401 0.000 2.688 436 D HA 0.311 4.952 4.640 0.001 0.000 0.228 436 D C 0.366 176.881 176.300 0.358 0.000 1.116 436 D CA 0.452 54.682 54.000 0.383 0.000 1.023 436 D CB -0.712 40.289 40.800 0.335 0.000 1.100 436 D HN 0.257 nan 8.370 nan 0.000 0.487 437 A N 1.974 125.091 122.820 0.495 0.000 2.816 437 A HA -0.326 3.994 4.320 0.001 0.000 0.270 437 A C 1.343 179.021 177.584 0.157 0.000 1.413 437 A CA 1.090 53.345 52.037 0.363 0.000 0.866 437 A CB -2.776 16.360 19.000 0.227 0.000 1.032 437 A HN 0.610 nan 8.150 nan 0.000 0.642 438 F N -1.078 118.920 119.950 0.080 0.000 2.095 438 F HA -0.076 4.451 4.527 0.001 0.000 0.298 438 F C 1.707 177.400 175.800 -0.178 0.000 1.104 438 F CA 2.729 60.676 58.000 -0.087 0.000 1.232 438 F CB -0.232 38.628 39.000 -0.234 0.000 0.987 438 F HN 0.487 nan 8.300 nan 0.000 0.475 439 W N -0.307 121.140 121.300 0.245 0.000 2.937 439 W HA 0.186 4.846 4.660 0.001 0.000 0.245 439 W C 2.236 178.541 176.519 -0.356 0.000 1.306 439 W CA 0.573 57.936 57.345 0.031 0.000 1.470 439 W CB -0.445 29.228 29.460 0.355 0.000 1.132 439 W HN 0.080 nan 8.180 nan 0.000 0.675 440 A N -0.045 122.371 122.820 -0.674 0.000 1.935 440 A HA -0.105 4.216 4.320 0.001 0.000 0.214 440 A C 1.991 179.402 177.584 -0.289 0.000 1.178 440 A CA 1.954 53.554 52.037 -0.729 0.000 0.640 440 A CB -0.929 17.314 19.000 -1.263 0.000 0.825 440 A HN 0.241 nan 8.150 nan 0.000 0.447 441 T N -3.216 111.198 114.554 -0.234 0.000 3.015 441 T HA 0.542 4.893 4.350 0.001 0.000 0.250 441 T C 0.978 175.460 174.700 -0.365 0.000 1.057 441 T CA 0.513 62.512 62.100 -0.168 0.000 1.066 441 T CB -0.453 68.423 68.868 0.012 0.000 0.959 441 T HN 0.572 nan 8.240 nan 0.000 0.488 442 A N 2.437 124.906 122.820 -0.584 0.000 2.466 442 A HA 0.362 4.683 4.320 0.001 0.000 0.238 442 A C 0.483 177.744 177.584 -0.539 0.000 1.074 442 A CA -0.409 51.070 52.037 -0.930 0.000 0.774 442 A CB -0.247 17.900 19.000 -1.422 0.000 1.015 442 A HN 0.408 nan 8.150 nan 0.000 0.498 443 N N 0.886 119.305 118.700 -0.468 0.000 2.402 443 N HA 0.084 4.825 4.740 0.001 0.000 0.252 443 N C -0.319 174.967 175.510 -0.373 0.000 1.118 443 N CA 0.195 52.989 53.050 -0.426 0.000 0.945 443 N CB -0.143 37.950 38.487 -0.657 0.000 1.147 443 N HN 0.553 nan 8.380 nan 0.000 0.495 444 Y N 2.026 122.193 120.300 -0.222 0.000 2.619 444 Y HA 0.091 4.641 4.550 0.001 0.000 0.308 444 Y C 1.020 176.892 175.900 -0.046 0.000 1.192 444 Y CA 0.311 58.343 58.100 -0.113 0.000 1.319 444 Y CB 0.120 38.496 38.460 -0.139 0.000 1.030 444 Y HN 0.538 nan 8.280 nan 0.000 0.517 445 N N -0.569 118.092 118.700 -0.065 0.000 2.166 445 N HA 0.136 4.877 4.740 0.001 0.000 0.213 445 N C 0.162 175.458 175.510 -0.355 0.000 1.222 445 N CA 0.206 53.156 53.050 -0.168 0.000 0.900 445 N CB 0.525 38.939 38.487 -0.122 0.000 1.055 445 N HN 0.266 nan 8.380 nan 0.000 0.515 446 R N 0.688 120.932 120.500 -0.426 0.000 2.772 446 R HA 0.357 4.697 4.340 0.001 0.000 0.358 446 R C -0.389 175.632 176.300 -0.465 0.000 1.143 446 R CA -0.253 55.547 56.100 -0.500 0.000 1.153 446 R CB 0.790 30.692 30.300 -0.664 0.000 1.329 446 R HN -0.059 nan 8.270 nan 0.000 0.615 447 L N 3.014 124.080 121.223 -0.261 0.000 2.483 447 L HA 0.147 4.488 4.340 0.001 0.000 0.276 447 L C -1.682 175.162 176.870 -0.044 0.000 1.213 447 L CA -1.527 53.249 54.840 -0.107 0.000 0.843 447 L CB 0.179 42.221 42.059 -0.029 0.000 1.107 447 L HN -0.069 nan 8.230 nan 0.000 0.487 448 P HA -0.005 nan 4.420 nan 0.000 0.264 448 P C 0.700 178.037 177.300 0.062 0.000 1.193 448 P CA 0.782 63.916 63.100 0.057 0.000 0.763 448 P CB 0.970 32.726 31.700 0.092 0.000 0.810 449 G N 3.004 111.885 108.800 0.135 0.000 2.268 449 G HA2 -0.257 3.703 3.960 0.001 0.000 0.240 449 G HA3 -0.257 3.703 3.960 0.001 0.000 0.240 449 G C 0.314 175.349 174.900 0.226 0.000 1.010 449 G CA 0.211 45.471 45.100 0.265 0.000 0.618 449 G HN 0.726 nan 8.290 nan 0.000 0.516 450 I N -0.039 120.598 120.570 0.111 0.000 2.823 450 I HA 0.693 4.864 4.170 0.001 0.000 0.290 450 I C 0.205 176.359 176.117 0.062 0.000 1.091 450 I CA -0.237 61.132 61.300 0.116 0.000 1.365 450 I CB 1.044 39.084 38.000 0.066 0.000 1.427 450 I HN -0.007 nan 8.210 nan 0.000 0.583 451 T N 4.469 119.085 114.554 0.104 0.000 2.829 451 T HA 0.543 4.894 4.350 0.001 0.000 0.282 451 T C -0.706 174.009 174.700 0.026 0.000 0.990 451 T CA -0.462 61.688 62.100 0.083 0.000 1.028 451 T CB 1.605 70.568 68.868 0.159 0.000 0.951 451 T HN 0.577 nan 8.240 nan 0.000 0.460 452 V N 3.668 123.563 119.914 -0.032 0.000 2.711 452 V HA 0.377 4.498 4.120 0.001 0.000 0.304 452 V C -1.340 174.694 176.094 -0.100 0.000 1.097 452 V CA -0.937 61.273 62.300 -0.149 0.000 0.906 452 V CB 1.952 33.549 31.823 -0.376 0.000 1.015 452 V HN 0.906 nan 8.190 nan 0.000 0.427 453 D N 4.392 124.757 120.400 -0.058 0.000 2.325 453 D HA 0.116 4.757 4.640 0.001 0.000 0.251 453 D C 1.313 177.571 176.300 -0.071 0.000 1.196 453 D CA 0.503 54.479 54.000 -0.040 0.000 0.866 453 D CB 2.010 42.802 40.800 -0.013 0.000 1.101 453 D HN 0.854 nan 8.370 nan 0.000 0.476 454 T N 0.418 114.919 114.554 -0.088 0.000 3.163 454 T HA -0.047 4.304 4.350 0.001 0.000 0.260 454 T C 0.820 175.473 174.700 -0.079 0.000 1.156 454 T CA -0.091 61.946 62.100 -0.105 0.000 1.072 454 T CB -0.535 68.257 68.868 -0.126 0.000 0.937 454 T HN 0.274 nan 8.240 nan 0.000 0.528 455 T N 4.896 119.411 114.554 -0.065 0.000 2.822 455 T HA 0.182 4.532 4.350 0.001 0.000 0.288 455 T C -2.323 172.329 174.700 -0.079 0.000 0.991 455 T CA -0.706 61.351 62.100 -0.072 0.000 1.176 455 T CB 0.321 69.143 68.868 -0.076 0.000 0.951 455 T HN 0.279 nan 8.240 nan 0.000 0.526 456 P HA 0.202 nan 4.420 nan 0.000 0.265 456 P C -0.529 176.671 177.300 -0.166 0.000 1.193 456 P CA -0.051 62.994 63.100 -0.092 0.000 0.765 456 P CB 0.432 32.086 31.700 -0.077 0.000 0.823 457 L N 4.954 126.012 121.223 -0.274 0.000 2.342 457 L HA 0.546 4.886 4.340 0.001 0.000 0.271 457 L C -1.944 174.698 176.870 -0.379 0.000 1.008 457 L CA -2.317 52.245 54.840 -0.463 0.000 0.818 457 L CB 1.701 43.184 42.059 -0.960 0.000 1.296 457 L HN 0.248 nan 8.230 nan 0.000 0.427 458 P HA 0.118 nan 4.420 nan 0.000 0.275 458 P C -1.112 176.136 177.300 -0.087 0.000 1.228 458 P CA -0.514 62.499 63.100 -0.146 0.000 0.786 458 P CB 0.610 32.242 31.700 -0.114 0.000 0.927 459 D N 2.055 122.470 120.400 0.025 0.000 2.525 459 D HA -0.044 4.596 4.640 0.001 0.000 0.235 459 D C 0.820 177.167 176.300 0.078 0.000 1.137 459 D CA 0.828 54.886 54.000 0.097 0.000 0.868 459 D CB 0.072 40.891 40.800 0.032 0.000 1.180 459 D HN 0.364 nan 8.370 nan 0.000 0.465 460 K N -1.401 119.103 120.400 0.173 0.000 3.446 460 K HA -0.185 4.135 4.320 0.001 0.000 0.312 460 K C 0.130 176.795 176.600 0.109 0.000 1.329 460 K CA 0.040 56.407 56.287 0.133 0.000 0.935 460 K CB -1.603 30.903 32.500 0.011 0.000 1.281 460 K HN 0.315 nan 8.250 nan 0.000 0.457 461 V N 2.032 121.988 119.914 0.069 0.000 2.814 461 V HA -0.119 4.001 4.120 0.001 0.000 0.307 461 V C 1.285 177.401 176.094 0.037 0.000 1.089 461 V CA 1.533 63.794 62.300 -0.066 0.000 1.212 461 V CB 0.581 32.218 31.823 -0.311 0.000 0.912 461 V HN 0.551 nan 8.190 nan 0.000 0.497 462 E N 2.477 122.661 120.200 -0.027 0.000 3.975 462 E HA -0.206 4.145 4.350 0.001 0.000 0.342 462 E C 0.553 177.198 176.600 0.075 0.000 0.677 462 E CA 1.558 57.987 56.400 0.048 0.000 1.238 462 E CB -1.901 27.853 29.700 0.091 0.000 1.665 462 E HN 2.222 nan 8.360 nan 0.000 0.429 463 G N 0.186 109.003 108.800 0.028 0.000 2.662 463 G HA2 -0.163 3.798 3.960 0.001 0.000 0.686 463 G HA3 -0.163 3.798 3.960 0.001 0.000 0.686 463 G C -0.519 174.312 174.900 -0.116 0.000 1.271 463 G CA -0.094 45.001 45.100 -0.009 0.000 0.816 463 G HN 0.096 nan 8.290 nan 0.000 0.608 464 Q N -0.852 118.859 119.800 -0.150 0.000 2.317 464 Q HA 0.457 4.798 4.340 0.001 0.000 0.229 464 Q C 0.201 176.088 176.000 -0.187 0.000 0.984 464 Q CA 0.204 55.774 55.803 -0.389 0.000 0.911 464 Q CB 0.646 29.029 28.738 -0.592 0.000 1.217 464 Q HN 0.911 nan 8.270 nan 0.000 0.501 465 W N -0.368 120.898 121.300 -0.057 0.000 4.435 465 W HA -0.209 4.452 4.660 0.001 0.000 0.351 465 W C 0.995 177.519 176.519 0.008 0.000 1.319 465 W CA 0.116 57.456 57.345 -0.009 0.000 0.791 465 W CB -2.093 27.341 29.460 -0.043 0.000 2.419 465 W HN 1.072 nan 8.180 nan 0.000 1.406 466 G N -0.584 108.269 108.800 0.087 0.000 2.321 466 G HA2 -0.109 3.851 3.960 0.001 0.000 0.287 466 G HA3 -0.109 3.851 3.960 0.001 0.000 0.287 466 G C 1.118 176.095 174.900 0.129 0.000 1.018 466 G CA 0.572 45.727 45.100 0.091 0.000 0.855 466 G HN 1.348 nan 8.290 nan 0.000 0.507 467 A N -1.209 121.689 122.820 0.131 0.000 2.067 467 A HA 0.578 4.899 4.320 0.001 0.000 0.219 467 A C 1.670 179.331 177.584 0.129 0.000 1.158 467 A CA 2.116 54.230 52.037 0.129 0.000 0.661 467 A CB 0.051 19.128 19.000 0.128 0.000 0.801 467 A HN 2.106 nan 8.150 nan 0.000 0.452 468 A N -0.322 122.604 122.820 0.175 0.000 2.350 468 A HA 0.628 4.949 4.320 0.001 0.000 0.324 468 A C -0.245 177.453 177.584 0.190 0.000 1.118 468 A CA -0.036 52.137 52.037 0.227 0.000 0.783 468 A CB 1.252 20.460 19.000 0.346 0.000 1.236 468 A HN 1.167 nan 8.150 nan 0.000 0.457 469 V N -0.565 119.342 119.914 -0.012 0.000 2.769 469 V HA 0.829 4.949 4.120 0.001 0.000 0.312 469 V C -2.889 172.838 176.094 -0.612 0.000 1.061 469 V CA -2.569 59.525 62.300 -0.343 0.000 0.931 469 V CB 1.646 33.358 31.823 -0.185 0.000 1.010 469 V HN 0.718 nan 8.190 nan 0.000 0.433 470 P HA 0.312 nan 4.420 nan 0.000 0.271 470 P C -0.224 176.918 177.300 -0.264 0.000 1.216 470 P CA 0.078 62.719 63.100 -0.764 0.000 0.771 470 P CB 1.217 32.370 31.700 -0.912 0.000 0.864 471 A N 3.203 125.981 122.820 -0.070 0.000 3.004 471 A HA 0.256 4.577 4.320 0.001 0.000 0.286 471 A C 0.474 178.085 177.584 0.044 0.000 1.632 471 A CA -0.366 51.675 52.037 0.006 0.000 1.339 471 A CB -1.003 18.029 19.000 0.054 0.000 1.136 471 A HN 0.590 nan 8.150 nan 0.000 0.577 472 D N -0.255 120.162 120.400 0.029 0.000 2.494 472 D HA 0.228 4.868 4.640 0.001 0.000 0.259 472 D C 0.477 176.936 176.300 0.266 0.000 1.109 472 D CA -0.531 53.548 54.000 0.130 0.000 1.040 472 D CB 0.628 41.384 40.800 -0.074 0.000 1.175 472 D HN 0.268 nan 8.370 nan 0.000 0.584 473 E N -1.128 119.332 120.200 0.432 0.000 2.060 473 E HA 0.112 4.462 4.350 0.001 0.000 0.189 473 E C -0.147 176.725 176.600 0.453 0.000 0.974 473 E CA 0.668 57.263 56.400 0.325 0.000 0.808 473 E CB 0.230 30.046 29.700 0.193 0.000 0.768 473 E HN 0.575 nan 8.360 nan 0.000 0.453 474 W N -1.528 119.966 121.300 0.324 0.000 3.064 474 W HA 0.518 5.178 4.660 0.001 0.000 0.328 474 W C -1.766 174.930 176.519 0.295 0.000 1.210 474 W CA -0.773 56.721 57.345 0.249 0.000 1.178 474 W CB 0.398 29.974 29.460 0.194 0.000 1.416 474 W HN -0.341 nan 8.180 nan 0.000 0.568 475 S N 0.400 116.421 115.700 0.535 0.000 2.546 475 S HA 0.946 5.416 4.470 0.001 0.000 0.274 475 S C -0.201 174.728 174.600 0.548 0.000 1.121 475 S CA 0.014 58.491 58.200 0.462 0.000 0.887 475 S CB 2.305 65.653 63.200 0.246 0.000 1.094 475 S HN 1.192 nan 8.310 nan 0.000 0.474 476 G N 0.230 109.368 108.800 0.563 0.000 2.320 476 G HA2 0.769 4.729 3.960 0.001 0.000 0.296 476 G HA3 0.769 4.729 3.960 0.001 0.000 0.296 476 G C -1.902 173.191 174.900 0.322 0.000 1.306 476 G CA 0.083 45.400 45.100 0.361 0.000 0.836 476 G HN 1.222 nan 8.290 nan 0.000 0.517 477 A N -1.597 121.324 122.820 0.168 0.000 2.586 477 A HA 0.985 5.305 4.320 0.001 0.000 0.290 477 A C -0.594 177.028 177.584 0.063 0.000 1.086 477 A CA 0.382 52.503 52.037 0.140 0.000 0.665 477 A CB 1.561 20.645 19.000 0.140 0.000 1.279 477 A HN 1.927 nan 8.150 nan 0.000 0.423 478 T N -1.286 113.306 114.554 0.063 0.000 2.769 478 T HA 0.830 5.181 4.350 0.001 0.000 0.306 478 T C -1.513 173.204 174.700 0.028 0.000 1.400 478 T CA 0.407 62.526 62.100 0.032 0.000 1.007 478 T CB 1.572 70.455 68.868 0.025 0.000 1.392 478 T HN 2.436 nan 8.240 nan 0.000 0.500 479 A N 1.428 124.258 122.820 0.017 0.000 2.594 479 A HA 0.821 5.141 4.320 0.001 0.000 0.295 479 A C -2.117 175.494 177.584 0.044 0.000 1.071 479 A CA -0.596 51.443 52.037 0.002 0.000 0.685 479 A CB 1.748 20.740 19.000 -0.013 0.000 1.285 479 A HN 0.909 nan 8.150 nan 0.000 0.405 480 L N 1.932 123.191 121.223 0.061 0.000 2.404 480 L HA 0.681 5.021 4.340 0.001 0.000 0.272 480 L C 0.893 177.824 176.870 0.101 0.000 0.980 480 L CA 1.414 56.299 54.840 0.075 0.000 0.836 480 L CB 1.261 43.362 42.059 0.071 0.000 1.238 480 L HN 2.263 nan 8.230 nan 0.000 0.408 481 G N 4.110 112.972 108.800 0.103 0.000 2.672 481 G HA2 -0.406 3.554 3.960 0.001 0.000 0.324 481 G HA3 -0.406 3.554 3.960 0.001 0.000 0.324 481 G C 0.602 175.597 174.900 0.159 0.000 1.286 481 G CA 0.817 45.980 45.100 0.105 0.000 1.004 481 G HN 1.018 nan 8.290 nan 0.000 0.548 482 E N -0.246 120.030 120.200 0.126 0.000 2.511 482 E HA 0.333 4.684 4.350 0.001 0.000 0.196 482 E C 0.407 177.180 176.600 0.289 0.000 1.066 482 E CA 0.575 57.063 56.400 0.146 0.000 0.871 482 E CB 0.100 29.837 29.700 0.061 0.000 0.863 482 E HN 0.417 nan 8.360 nan 0.000 0.520 483 V N 1.131 121.165 119.914 0.199 0.000 2.531 483 V HA 0.630 4.751 4.120 0.001 0.000 0.301 483 V C -0.231 175.788 176.094 -0.126 0.000 1.034 483 V CA -0.726 61.594 62.300 0.034 0.000 0.865 483 V CB 1.526 33.301 31.823 -0.080 0.000 0.995 483 V HN 0.327 nan 8.190 nan 0.000 0.424 484 A N 3.477 126.080 122.820 -0.363 0.000 2.330 484 A HA 1.006 5.327 4.320 0.001 0.000 0.329 484 A C -0.211 177.398 177.584 0.042 0.000 1.135 484 A CA -0.410 51.440 52.037 -0.312 0.000 0.817 484 A CB 1.768 20.405 19.000 -0.606 0.000 1.269 484 A HN 1.483 nan 8.150 nan 0.000 0.469 485 A N 1.064 123.950 122.820 0.110 0.000 2.332 485 A HA 0.644 4.964 4.320 0.001 0.000 0.300 485 A C -1.018 176.642 177.584 0.126 0.000 1.153 485 A CA -0.383 51.774 52.037 0.199 0.000 0.764 485 A CB 0.875 20.104 19.000 0.383 0.000 1.174 485 A HN 1.141 nan 8.150 nan 0.000 0.467 486 V N 1.548 121.500 119.914 0.062 0.000 2.604 486 V HA 0.888 5.008 4.120 0.001 0.000 0.305 486 V C 0.533 176.820 176.094 0.323 0.000 1.043 486 V CA -0.066 62.382 62.300 0.246 0.000 0.888 486 V CB 2.022 34.024 31.823 0.298 0.000 0.995 486 V HN 1.258 nan 8.190 nan 0.000 0.429 487 G N 2.650 111.709 108.800 0.430 0.000 2.667 487 G HA2 0.679 4.639 3.960 0.001 0.000 0.298 487 G HA3 0.679 4.639 3.960 0.001 0.000 0.298 487 G C -1.690 173.394 174.900 0.305 0.000 1.377 487 G CA -0.475 44.807 45.100 0.303 0.000 0.964 487 G HN 0.631 nan 8.290 nan 0.000 0.493 488 Q N 0.163 120.143 119.800 0.300 0.000 2.271 488 Q HA 0.251 4.591 4.340 0.001 0.000 0.268 488 Q C -1.454 174.574 176.000 0.046 0.000 1.021 488 Q CA -0.772 55.167 55.803 0.226 0.000 0.802 488 Q CB 1.803 30.771 28.738 0.383 0.000 1.282 488 Q HN 0.821 nan 8.270 nan 0.000 0.431 489 H N 5.672 124.619 119.070 -0.205 0.000 2.846 489 H HA 0.204 4.760 4.556 0.001 0.000 0.278 489 H C -1.032 174.201 175.328 -0.158 0.000 1.117 489 H CA -0.607 55.200 56.048 -0.402 0.000 1.406 489 H CB 0.730 30.250 29.762 -0.404 0.000 1.445 489 H HN 0.485 nan 8.280 nan 0.000 0.469 490 L N 6.962 128.022 121.223 -0.271 0.000 2.313 490 L HA 0.166 4.506 4.340 0.001 0.000 0.282 490 L C -1.118 175.554 176.870 -0.331 0.000 1.092 490 L CA -0.179 54.552 54.840 -0.183 0.000 0.831 490 L CB 0.759 42.822 42.059 0.005 0.000 1.159 490 L HN 0.368 nan 8.230 nan 0.000 0.442 491 V N 5.825 125.597 119.914 -0.235 0.000 2.370 491 V HA 0.527 4.647 4.120 0.001 0.000 0.279 491 V C 1.010 177.291 176.094 0.312 0.000 1.029 491 V CA -0.395 61.881 62.300 -0.039 0.000 0.870 491 V CB 0.967 32.778 31.823 -0.020 0.000 0.984 491 V HN 0.960 nan 8.190 nan 0.000 0.451 492 G N 6.889 115.807 108.800 0.195 0.000 2.432 492 G HA2 0.358 4.319 3.960 0.001 0.000 0.239 492 G HA3 0.358 4.319 3.960 0.001 0.000 0.239 492 G C -2.272 172.609 174.900 -0.032 0.000 1.291 492 G CA -0.591 44.596 45.100 0.144 0.000 0.863 492 G HN 0.552 nan 8.290 nan 0.000 0.560 493 P HA 0.238 nan 4.420 nan 0.000 0.274 493 P C 0.720 177.658 177.300 -0.603 0.000 1.237 493 P CA 0.837 63.234 63.100 -1.172 0.000 0.793 493 P CB 1.123 31.975 31.700 -1.413 0.000 0.977 494 G N 1.833 110.307 108.800 -0.543 0.000 2.160 494 G HA2 -0.319 3.642 3.960 0.001 0.000 0.244 494 G HA3 -0.319 3.642 3.960 0.001 0.000 0.244 494 G C 0.474 175.253 174.900 -0.201 0.000 1.022 494 G CA 0.148 45.044 45.100 -0.339 0.000 0.741 494 G HN 0.661 nan 8.290 nan 0.000 0.508 495 R N -2.003 118.408 120.500 -0.149 0.000 3.516 495 R HA -0.278 4.062 4.340 0.001 0.000 0.271 495 R C 1.878 178.146 176.300 -0.053 0.000 1.098 495 R CA 1.604 57.667 56.100 -0.061 0.000 0.732 495 R CB -2.699 27.576 30.300 -0.042 0.000 1.152 495 R HN 1.083 nan 8.270 nan 0.000 0.455 496 T N -3.791 110.724 114.554 -0.064 0.000 3.023 496 T HA 0.134 4.484 4.350 0.001 0.000 0.266 496 T C 1.516 176.205 174.700 -0.019 0.000 1.093 496 T CA 0.850 62.921 62.100 -0.048 0.000 1.129 496 T CB 0.404 69.240 68.868 -0.053 0.000 0.899 496 T HN 0.731 nan 8.240 nan 0.000 0.491 497 G N 1.338 110.137 108.800 -0.001 0.000 2.136 497 G HA2 -0.195 3.766 3.960 0.001 0.000 0.242 497 G HA3 -0.195 3.766 3.960 0.001 0.000 0.242 497 G C -0.028 174.882 174.900 0.016 0.000 0.989 497 G CA 0.035 45.145 45.100 0.016 0.000 0.682 497 G HN 0.700 nan 8.290 nan 0.000 0.522 498 L N 1.100 122.331 121.223 0.014 0.000 2.456 498 L HA 0.723 5.064 4.340 0.001 0.000 0.272 498 L C 0.085 176.966 176.870 0.018 0.000 1.189 498 L CA 1.625 56.474 54.840 0.014 0.000 0.846 498 L CB 0.955 43.027 42.059 0.021 0.000 1.111 498 L HN 0.318 nan 8.230 nan 0.000 0.475 499 T N 4.388 118.946 114.554 0.006 0.000 2.952 499 T HA 0.814 5.165 4.350 0.001 0.000 0.305 499 T C -1.167 173.519 174.700 -0.025 0.000 1.064 499 T CA 0.069 62.178 62.100 0.015 0.000 1.008 499 T CB 1.159 70.091 68.868 0.106 0.000 1.078 499 T HN 1.117 nan 8.240 nan 0.000 0.459 500 A N 3.946 126.739 122.820 -0.045 0.000 2.594 500 A HA 0.836 5.156 4.320 0.001 0.000 0.295 500 A C -1.201 176.263 177.584 -0.199 0.000 1.071 500 A CA -0.905 51.067 52.037 -0.109 0.000 0.685 500 A CB 1.562 20.534 19.000 -0.047 0.000 1.285 500 A HN 0.785 nan 8.150 nan 0.000 0.405 501 R N 1.294 121.579 120.500 -0.358 0.000 2.320 501 R HA 0.406 4.746 4.340 0.001 0.000 0.319 501 R C -1.093 174.994 176.300 -0.356 0.000 0.969 501 R CA -0.360 55.367 56.100 -0.622 0.000 0.857 501 R CB 1.657 31.290 30.300 -1.112 0.000 1.160 501 R HN 0.595 nan 8.270 nan 0.000 0.491 502 K N 1.508 121.758 120.400 -0.250 0.000 2.206 502 K HA 0.454 4.775 4.320 0.001 0.000 0.264 502 K C -0.576 175.694 176.600 -0.550 0.000 0.967 502 K CA -0.451 55.604 56.287 -0.387 0.000 0.844 502 K CB 2.177 34.474 32.500 -0.337 0.000 1.099 502 K HN 0.331 nan 8.250 nan 0.000 0.441 503 S N 1.582 116.831 115.700 -0.753 0.000 2.569 503 S HA 0.539 5.010 4.470 0.001 0.000 0.280 503 S C -1.415 172.562 174.600 -1.038 0.000 1.111 503 S CA -0.910 56.869 58.200 -0.701 0.000 0.887 503 S CB 1.201 64.207 63.200 -0.323 0.000 1.095 503 S HN 0.442 nan 8.310 nan 0.000 0.476 504 W N 1.852 122.770 121.300 -0.636 0.000 2.839 504 W HA 0.502 5.162 4.660 0.001 0.000 0.334 504 W C -1.863 174.160 176.519 -0.827 0.000 1.064 504 W CA -0.771 56.256 57.345 -0.530 0.000 1.236 504 W CB 1.246 30.571 29.460 -0.224 0.000 1.405 504 W HN 0.540 nan 8.180 nan 0.000 0.478 505 F N 2.093 122.204 119.950 0.269 0.000 2.434 505 F HA 0.386 4.914 4.527 0.001 0.000 0.355 505 F C 0.063 176.071 175.800 0.347 0.000 1.115 505 F CA -1.003 57.173 58.000 0.293 0.000 1.010 505 F CB 1.094 40.275 39.000 0.302 0.000 1.234 505 F HN -0.210 nan 8.300 nan 0.000 0.439 506 V N 2.623 122.691 119.914 0.256 0.000 2.334 506 V HA 0.449 4.570 4.120 0.001 0.000 0.281 506 V C 0.181 176.355 176.094 0.133 0.000 1.016 506 V CA -0.722 61.682 62.300 0.174 0.000 0.832 506 V CB 0.899 32.721 31.823 -0.003 0.000 0.999 506 V HN 0.816 nan 8.190 nan 0.000 0.439 507 S N 4.020 119.704 115.700 -0.026 0.000 2.566 507 S HA 0.472 4.943 4.470 0.001 0.000 0.277 507 S C 1.567 176.301 174.600 0.224 0.000 1.150 507 S CA 0.178 58.304 58.200 -0.124 0.000 1.032 507 S CB 0.852 63.785 63.200 -0.446 0.000 1.157 507 S HN 0.876 nan 8.310 nan 0.000 0.507 508 G N -0.391 108.500 108.800 0.153 0.000 2.509 508 G HA2 0.026 3.986 3.960 0.001 0.000 0.218 508 G HA3 0.026 3.986 3.960 0.001 0.000 0.218 508 G C 0.526 175.680 174.900 0.422 0.000 1.124 508 G CA 0.850 46.075 45.100 0.208 0.000 0.776 508 G HN 0.798 nan 8.290 nan 0.000 0.547 509 D N -1.168 119.467 120.400 0.390 0.000 2.218 509 D HA 0.062 4.702 4.640 0.001 0.000 0.307 509 D C 0.880 177.189 176.300 0.015 0.000 1.086 509 D CA 0.209 54.441 54.000 0.386 0.000 0.886 509 D CB 0.434 41.373 40.800 0.231 0.000 1.645 509 D HN 0.280 nan 8.370 nan 0.000 0.523 510 V N 0.291 120.216 119.914 0.017 0.000 2.732 510 V HA 0.771 4.892 4.120 0.001 0.000 0.310 510 V C -0.467 175.626 176.094 -0.002 0.000 1.053 510 V CA -0.182 62.047 62.300 -0.118 0.000 0.957 510 V CB 1.979 33.664 31.823 -0.229 0.000 1.018 510 V HN -0.100 nan 8.190 nan 0.000 0.452 511 T N 3.414 117.963 114.554 -0.008 0.000 2.809 511 T HA 0.577 4.928 4.350 0.001 0.000 0.284 511 T C -0.556 174.235 174.700 0.152 0.000 0.992 511 T CA -0.277 61.917 62.100 0.157 0.000 0.957 511 T CB 1.344 70.380 68.868 0.280 0.000 0.942 511 T HN 0.719 nan 8.240 nan 0.000 0.439 512 V N 3.339 123.393 119.914 0.233 0.000 2.394 512 V HA 0.370 4.490 4.120 0.001 0.000 0.282 512 V C -0.041 176.107 176.094 0.090 0.000 1.031 512 V CA -0.710 61.672 62.300 0.138 0.000 0.881 512 V CB 1.047 32.975 31.823 0.175 0.000 0.982 512 V HN 1.025 nan 8.190 nan 0.000 0.451 513 C N 6.885 126.078 119.300 -0.178 0.000 2.298 513 C HA 0.715 5.175 4.460 0.001 0.000 0.323 513 C C -0.059 174.834 174.990 -0.161 0.000 1.284 513 C CA -0.905 57.920 59.018 -0.322 0.000 1.577 513 C CB -0.063 27.227 27.740 -0.750 0.000 2.249 513 C HN 0.715 nan 8.230 nan 0.000 0.497 514 L N 2.842 123.948 121.223 -0.196 0.000 2.362 514 L HA 0.879 5.219 4.340 0.001 0.000 0.271 514 L C 0.368 176.768 176.870 -0.783 0.000 1.002 514 L CA -0.171 54.489 54.840 -0.301 0.000 0.818 514 L CB 1.962 43.993 42.059 -0.048 0.000 1.298 514 L HN 0.848 nan 8.230 nan 0.000 0.420 515 G N 1.077 109.046 108.800 -1.384 0.000 2.638 515 G HA2 0.824 4.784 3.960 0.001 0.000 0.302 515 G HA3 0.824 4.784 3.960 0.001 0.000 0.302 515 G C -1.661 172.844 174.900 -0.659 0.000 1.365 515 G CA -0.329 43.956 45.100 -1.358 0.000 0.987 515 G HN 0.806 nan 8.290 nan 0.000 0.495 516 A N 1.234 123.803 122.820 -0.417 0.000 2.594 516 A HA 0.759 5.079 4.320 0.001 0.000 0.291 516 A C -0.048 177.374 177.584 -0.270 0.000 1.105 516 A CA 0.231 52.103 52.037 -0.275 0.000 0.694 516 A CB 1.388 20.275 19.000 -0.188 0.000 1.291 516 A HN 1.476 nan 8.150 nan 0.000 0.410 517 D N -0.944 119.333 120.400 -0.205 0.000 2.907 517 D HA -0.139 4.501 4.640 0.001 0.000 0.226 517 D C -0.523 175.668 176.300 -0.181 0.000 1.141 517 D CA 1.217 55.101 54.000 -0.193 0.000 0.779 517 D CB -1.536 39.114 40.800 -0.250 0.000 1.095 517 D HN 0.565 nan 8.370 nan 0.000 0.430 518 I N 0.858 121.316 120.570 -0.187 0.000 2.352 518 I HA 0.285 4.455 4.170 0.001 0.000 0.290 518 I C 0.938 176.984 176.117 -0.118 0.000 1.036 518 I CA 0.075 61.269 61.300 -0.177 0.000 1.336 518 I CB 1.103 38.915 38.000 -0.313 0.000 1.407 518 I HN 0.217 nan 8.210 nan 0.000 0.497 519 S N 3.679 119.334 115.700 -0.075 0.000 2.685 519 S HA 0.806 5.276 4.470 0.001 0.000 0.282 519 S C -0.609 173.976 174.600 -0.024 0.000 1.159 519 S CA -0.680 57.495 58.200 -0.043 0.000 0.833 519 S CB 2.522 65.701 63.200 -0.035 0.000 1.151 519 S HN 0.553 nan 8.310 nan 0.000 0.485 520 T N -1.207 113.339 114.554 -0.013 0.000 2.802 520 T HA 0.666 5.016 4.350 0.001 0.000 0.311 520 T C 0.012 174.708 174.700 -0.007 0.000 1.405 520 T CA 0.092 62.187 62.100 -0.007 0.000 1.016 520 T CB 1.214 70.078 68.868 -0.007 0.000 1.352 520 T HN 1.414 nan 8.240 nan 0.000 0.498 521 A N 0.930 123.746 122.820 -0.007 0.000 2.308 521 A HA 0.309 4.630 4.320 0.001 0.000 0.217 521 A C 2.008 179.584 177.584 -0.014 0.000 1.216 521 A CA 1.045 53.078 52.037 -0.007 0.000 0.864 521 A CB -0.408 18.590 19.000 -0.003 0.000 0.902 521 A HN 0.983 nan 8.150 nan 0.000 0.499 522 S N -1.701 113.988 115.700 -0.018 0.000 2.501 522 S HA 0.337 4.807 4.470 0.001 0.000 0.220 522 S C 1.611 176.196 174.600 -0.025 0.000 0.997 522 S CA 1.248 59.433 58.200 -0.026 0.000 0.919 522 S CB -0.225 62.955 63.200 -0.034 0.000 0.778 522 S HN 1.757 nan 8.310 nan 0.000 0.523 523 G N 0.918 109.707 108.800 -0.019 0.000 2.184 523 G HA2 -0.172 3.789 3.960 0.001 0.000 0.264 523 G HA3 -0.172 3.789 3.960 0.001 0.000 0.264 523 G C 0.299 175.186 174.900 -0.022 0.000 0.975 523 G CA 0.205 45.294 45.100 -0.019 0.000 0.642 523 G HN 1.328 nan 8.290 nan 0.000 0.536 524 A N -0.035 122.769 122.820 -0.027 0.000 2.286 524 A HA 0.705 5.025 4.320 0.001 0.000 0.286 524 A C 0.662 178.231 177.584 -0.026 0.000 1.097 524 A CA -0.025 51.992 52.037 -0.033 0.000 0.821 524 A CB 0.500 19.474 19.000 -0.044 0.000 1.076 524 A HN 0.393 nan 8.150 nan 0.000 0.490 525 K N -0.045 120.335 120.400 -0.032 0.000 2.518 525 K HA 0.279 4.600 4.320 0.001 0.000 0.276 525 K C -0.830 175.757 176.600 -0.021 0.000 0.974 525 K CA 0.329 56.601 56.287 -0.025 0.000 0.986 525 K CB 0.370 32.838 32.500 -0.052 0.000 0.901 525 K HN 0.376 nan 8.250 nan 0.000 0.497 526 V N 2.979 122.907 119.914 0.023 0.000 2.540 526 V HA 0.236 4.357 4.120 0.001 0.000 0.302 526 V C -0.386 175.764 176.094 0.094 0.000 1.035 526 V CA -0.733 61.602 62.300 0.058 0.000 0.873 526 V CB 1.761 33.647 31.823 0.103 0.000 0.992 526 V HN 0.756 nan 8.190 nan 0.000 0.428 527 E N 1.480 121.694 120.200 0.024 0.000 2.281 527 E HA 0.717 5.067 4.350 0.001 0.000 0.262 527 E C -1.047 175.573 176.600 0.033 0.000 0.933 527 E CA -0.753 55.625 56.400 -0.036 0.000 0.809 527 E CB 2.319 31.916 29.700 -0.173 0.000 1.242 527 E HN 0.611 nan 8.360 nan 0.000 0.418 528 T N 1.425 115.944 114.554 -0.058 0.000 2.848 528 T HA 0.376 4.726 4.350 0.001 0.000 0.285 528 T C -0.721 173.871 174.700 -0.180 0.000 0.995 528 T CA -0.666 61.379 62.100 -0.092 0.000 0.970 528 T CB 0.599 69.395 68.868 -0.119 0.000 0.976 528 T HN 0.223 nan 8.240 nan 0.000 0.441 529 I N 4.600 125.071 120.570 -0.164 0.000 2.307 529 I HA 0.199 4.369 4.170 0.001 0.000 0.287 529 I C 1.587 177.580 176.117 -0.207 0.000 1.054 529 I CA -0.263 60.946 61.300 -0.151 0.000 1.218 529 I CB 0.600 38.524 38.000 -0.127 0.000 1.398 529 I HN 0.448 nan 8.210 nan 0.000 0.475 530 V N 4.614 124.282 119.914 -0.409 0.000 2.332 530 V HA -0.173 3.947 4.120 0.001 0.000 0.248 530 V C 0.739 176.733 176.094 -0.166 0.000 1.055 530 V CA 1.886 63.833 62.300 -0.588 0.000 1.038 530 V CB -0.441 30.912 31.823 -0.783 0.000 0.651 530 V HN 0.814 nan 8.190 nan 0.000 0.450 531 D N -3.328 116.969 120.400 -0.172 0.000 2.683 531 D HA 0.325 4.965 4.640 0.001 0.000 0.246 531 D C -1.505 174.799 176.300 0.007 0.000 1.238 531 D CA -0.528 53.438 54.000 -0.058 0.000 0.759 531 D CB 1.437 42.153 40.800 -0.139 0.000 1.349 531 D HN 0.186 nan 8.370 nan 0.000 0.426 532 H N 1.065 120.108 119.070 -0.045 0.000 3.021 532 H HA 0.465 5.021 4.556 0.001 0.000 0.293 532 H C -1.475 173.937 175.328 0.139 0.000 1.244 532 H CA -0.411 55.643 56.048 0.010 0.000 1.596 532 H CB 0.540 30.260 29.762 -0.071 0.000 1.720 532 H HN 0.205 nan 8.280 nan 0.000 0.537 533 R N 3.402 123.860 120.500 -0.070 0.000 2.387 533 R HA 0.328 4.669 4.340 0.001 0.000 0.314 533 R C -0.643 175.353 176.300 -0.506 0.000 0.958 533 R CA -0.862 55.087 56.100 -0.250 0.000 0.846 533 R CB 0.573 30.676 30.300 -0.328 0.000 1.147 533 R HN 0.526 nan 8.270 nan 0.000 0.447 534 N N 4.790 123.043 118.700 -0.745 0.000 2.427 534 N HA -0.015 4.725 4.740 0.001 0.000 0.269 534 N C 0.199 175.099 175.510 -1.016 0.000 1.235 534 N CA 0.303 52.608 53.050 -1.242 0.000 0.934 534 N CB 0.603 38.564 38.487 -0.877 0.000 1.121 534 N HN 0.692 nan 8.380 nan 0.000 0.480 535 L N 3.859 124.563 121.223 -0.864 0.000 2.592 535 L HA 0.067 4.407 4.340 0.001 0.000 0.227 535 L C 0.797 177.410 176.870 -0.428 0.000 1.127 535 L CA -0.283 54.236 54.840 -0.536 0.000 0.884 535 L CB -0.500 41.381 42.059 -0.297 0.000 1.065 535 L HN 0.644 nan 8.230 nan 0.000 0.457 536 H N -0.376 118.522 119.070 -0.288 0.000 1.452 536 H HA -0.286 4.270 4.556 0.001 0.000 0.090 536 H C 0.743 176.001 175.328 -0.117 0.000 0.618 536 H CA 1.634 57.579 56.048 -0.172 0.000 1.901 536 H CB -1.003 28.695 29.762 -0.106 0.000 2.257 536 H HN 0.247 nan 8.280 nan 0.000 0.961 537 Q N 2.447 122.296 119.800 0.081 0.000 2.155 537 Q HA 0.361 4.701 4.340 0.001 0.000 0.220 537 Q C 0.914 176.922 176.000 0.013 0.000 0.819 537 Q CA 0.686 56.505 55.803 0.027 0.000 1.032 537 Q CB 1.183 29.941 28.738 0.034 0.000 1.151 537 Q HN 0.531 nan 8.270 nan 0.000 0.487 538 G N 0.866 109.669 108.800 0.004 0.000 2.476 538 G HA2 0.324 4.285 3.960 0.001 0.000 0.286 538 G HA3 0.324 4.285 3.960 0.001 0.000 0.286 538 G C 0.064 174.955 174.900 -0.014 0.000 1.177 538 G CA -0.395 44.707 45.100 0.003 0.000 0.870 538 G HN 0.149 nan 8.290 nan 0.000 0.528 539 S N 0.102 115.801 115.700 -0.001 0.000 2.383 539 S HA 0.182 4.653 4.470 0.001 0.000 0.227 539 S C -0.107 174.500 174.600 0.010 0.000 1.261 539 S CA -0.939 57.261 58.200 -0.000 0.000 1.262 539 S CB -0.323 62.880 63.200 0.005 0.000 0.992 539 S HN 0.462 nan 8.310 nan 0.000 0.491 540 N N 2.363 121.067 118.700 0.007 0.000 2.357 540 N HA 0.092 4.832 4.740 0.001 0.000 0.257 540 N C -0.033 175.503 175.510 0.043 0.000 1.250 540 N CA 0.608 53.675 53.050 0.029 0.000 0.862 540 N CB 0.284 38.783 38.487 0.020 0.000 1.066 540 N HN 0.319 nan 8.380 nan 0.000 0.468 541 T N 2.360 116.956 114.554 0.069 0.000 2.907 541 T HA 0.248 4.599 4.350 0.001 0.000 0.298 541 T C 0.326 175.094 174.700 0.113 0.000 1.017 541 T CA -0.173 61.975 62.100 0.079 0.000 1.118 541 T CB 0.169 69.087 68.868 0.083 0.000 0.948 541 T HN 0.202 nan 8.240 nan 0.000 0.531 542 L N 3.671 124.946 121.223 0.087 0.000 2.301 542 L HA 0.340 4.680 4.340 0.001 0.000 0.278 542 L C 0.355 177.278 176.870 0.088 0.000 1.022 542 L CA -0.506 54.393 54.840 0.099 0.000 0.854 542 L CB 1.163 43.248 42.059 0.044 0.000 1.226 542 L HN 0.609 nan 8.230 nan 0.000 0.429 543 T N 1.202 115.854 114.554 0.163 0.000 2.829 543 T HA 0.589 4.939 4.350 0.001 0.000 0.282 543 T C 0.285 175.002 174.700 0.029 0.000 0.990 543 T CA -0.469 61.713 62.100 0.137 0.000 1.028 543 T CB 1.569 70.582 68.868 0.241 0.000 0.951 543 T HN 0.669 nan 8.240 nan 0.000 0.460 544 T N -0.756 113.688 114.554 -0.183 0.000 2.773 544 T HA 0.725 5.075 4.350 0.001 0.000 0.278 544 T C 1.625 175.865 174.700 -0.765 0.000 1.011 544 T CA -0.276 61.441 62.100 -0.639 0.000 1.014 544 T CB 0.996 69.593 68.868 -0.452 0.000 1.293 544 T HN 0.372 nan 8.240 nan 0.000 0.554 545 A N 0.355 122.557 122.820 -1.030 0.000 1.902 545 A HA 0.243 4.564 4.320 0.001 0.000 0.217 545 A C 2.581 180.065 177.584 -0.168 0.000 1.181 545 A CA 2.119 53.911 52.037 -0.408 0.000 0.623 545 A CB -1.618 17.192 19.000 -0.316 0.000 0.818 545 A HN 1.294 nan 8.150 nan 0.000 0.443 546 A N -2.091 120.607 122.820 -0.204 0.000 1.902 546 A HA 0.337 4.657 4.320 0.001 0.000 0.217 546 A C 1.910 179.448 177.584 -0.077 0.000 1.181 546 A CA 2.400 54.368 52.037 -0.115 0.000 0.623 546 A CB -0.640 18.286 19.000 -0.123 0.000 0.818 546 A HN 1.559 nan 8.150 nan 0.000 0.443 547 G N -2.724 106.021 108.800 -0.093 0.000 2.467 547 G HA2 0.323 4.284 3.960 0.001 0.000 0.103 547 G HA3 0.323 4.284 3.960 0.001 0.000 0.103 547 G C 0.256 175.131 174.900 -0.041 0.000 1.456 547 G CA 0.837 45.912 45.100 -0.042 0.000 1.071 547 G HN 1.325 nan 8.290 nan 0.000 0.307 548 T N -1.234 113.294 114.554 -0.043 0.000 2.896 548 T HA 0.790 5.141 4.350 0.001 0.000 0.297 548 T C -0.973 173.695 174.700 -0.053 0.000 1.108 548 T CA -0.405 61.675 62.100 -0.032 0.000 1.004 548 T CB 2.478 71.343 68.868 -0.004 0.000 1.159 548 T HN 1.045 nan 8.240 nan 0.000 0.499 549 I N 0.790 121.331 120.570 -0.048 0.000 2.934 549 I HA 0.583 4.753 4.170 0.001 0.000 0.306 549 I C 0.308 176.401 176.117 -0.039 0.000 1.110 549 I CA -0.526 60.739 61.300 -0.060 0.000 1.019 549 I CB 1.830 39.776 38.000 -0.091 0.000 1.227 549 I HN 1.371 nan 8.210 nan 0.000 0.434 550 A N 3.866 126.661 122.820 -0.042 0.000 2.791 550 A HA -0.181 4.140 4.320 0.001 0.000 0.292 550 A C 1.236 178.810 177.584 -0.016 0.000 1.487 550 A CA 1.000 53.019 52.037 -0.030 0.000 0.760 550 A CB -2.429 16.552 19.000 -0.033 0.000 1.031 550 A HN 1.306 nan 8.150 nan 0.000 0.503 551 G N -1.213 107.578 108.800 -0.015 0.000 2.443 551 G HA2 0.232 4.192 3.960 0.001 0.000 0.219 551 G HA3 0.232 4.192 3.960 0.001 0.000 0.219 551 G C 0.715 175.611 174.900 -0.007 0.000 1.131 551 G CA 1.437 46.532 45.100 -0.008 0.000 0.775 551 G HN 0.852 nan 8.290 nan 0.000 0.547 552 T N 1.070 115.618 114.554 -0.009 0.000 2.795 552 T HA 0.605 4.955 4.350 0.001 0.000 0.282 552 T C 0.169 174.866 174.700 -0.005 0.000 0.980 552 T CA -0.213 61.883 62.100 -0.007 0.000 1.012 552 T CB 1.643 70.506 68.868 -0.009 0.000 0.936 552 T HN 0.309 nan 8.240 nan 0.000 0.457 553 A N 2.083 124.902 122.820 -0.002 0.000 2.409 553 A HA 0.588 4.909 4.320 0.001 0.000 0.267 553 A C 1.478 179.061 177.584 -0.002 0.000 1.127 553 A CA 0.336 52.373 52.037 0.001 0.000 0.795 553 A CB -0.637 18.365 19.000 0.003 0.000 1.061 553 A HN 1.429 nan 8.150 nan 0.000 0.502 554 G N 1.964 110.764 108.800 -0.000 0.000 2.213 554 G HA2 -0.192 3.768 3.960 0.001 0.000 0.236 554 G HA3 -0.192 3.768 3.960 0.001 0.000 0.236 554 G C 0.358 175.256 174.900 -0.003 0.000 0.991 554 G CA 0.349 45.446 45.100 -0.005 0.000 0.629 554 G HN 1.211 nan 8.290 nan 0.000 0.517 555 T N 1.728 116.281 114.554 -0.002 0.000 2.929 555 T HA 0.520 4.871 4.350 0.001 0.000 0.331 555 T C 0.311 175.012 174.700 0.001 0.000 1.120 555 T CA 0.155 62.254 62.100 -0.003 0.000 0.973 555 T CB 1.845 70.708 68.868 -0.009 0.000 1.036 555 T HN 0.776 nan 8.240 nan 0.000 0.502 556 V N 4.127 124.051 119.914 0.016 0.000 2.617 556 V HA 0.153 4.274 4.120 0.001 0.000 0.304 556 V C 0.172 176.266 176.094 -0.001 0.000 1.040 556 V CA 0.662 62.978 62.300 0.027 0.000 1.149 556 V CB 0.417 32.289 31.823 0.081 0.000 0.914 556 V HN 0.805 nan 8.190 nan 0.000 0.487 557 E N 3.856 124.033 120.200 -0.039 0.000 2.336 557 E HA 0.603 4.954 4.350 0.001 0.000 0.267 557 E C -1.468 175.038 176.600 -0.156 0.000 0.906 557 E CA -0.883 55.469 56.400 -0.078 0.000 0.781 557 E CB 2.493 32.145 29.700 -0.079 0.000 1.261 557 E HN 0.514 nan 8.360 nan 0.000 0.436 558 V N 3.063 122.857 119.914 -0.200 0.000 2.398 558 V HA 0.057 4.177 4.120 0.001 0.000 0.286 558 V C 0.830 176.773 176.094 -0.250 0.000 1.026 558 V CA -0.373 61.729 62.300 -0.329 0.000 0.868 558 V CB 1.325 32.931 31.823 -0.362 0.000 0.982 558 V HN 0.665 nan 8.190 nan 0.000 0.443 559 L N 5.284 126.347 121.223 -0.266 0.000 1.924 559 L HA 0.264 4.604 4.340 0.001 0.000 0.222 559 L C 1.067 177.826 176.870 -0.184 0.000 1.081 559 L CA 2.660 57.373 54.840 -0.212 0.000 0.780 559 L CB -0.886 41.050 42.059 -0.204 0.000 0.891 559 L HN 1.105 nan 8.230 nan 0.000 0.434 560 G N -2.108 106.591 108.800 -0.168 0.000 2.352 560 G HA2 -0.128 3.833 3.960 0.001 0.000 0.324 560 G HA3 -0.128 3.833 3.960 0.001 0.000 0.324 560 G C -0.596 174.231 174.900 -0.122 0.000 1.249 560 G CA 0.023 45.042 45.100 -0.135 0.000 1.053 560 G HN 0.392 nan 8.290 nan 0.000 0.492 561 D N 0.518 120.858 120.400 -0.101 0.000 2.402 561 D HA 0.247 4.887 4.640 0.001 0.000 0.216 561 D C 1.877 178.145 176.300 -0.053 0.000 1.128 561 D CA 0.808 54.770 54.000 -0.063 0.000 0.833 561 D CB 0.394 41.168 40.800 -0.042 0.000 0.971 561 D HN 0.712 nan 8.370 nan 0.000 0.503 562 G N 1.118 109.849 108.800 -0.116 0.000 2.464 562 G HA2 -0.189 3.772 3.960 0.001 0.000 0.217 562 G HA3 -0.189 3.772 3.960 0.001 0.000 0.217 562 G C 1.115 175.975 174.900 -0.067 0.000 1.138 562 G CA -0.075 44.946 45.100 -0.131 0.000 0.793 562 G HN 0.170 nan 8.290 nan 0.000 0.539 563 R N -1.634 118.808 120.500 -0.096 0.000 3.922 563 R HA -0.114 4.227 4.340 0.001 0.000 0.447 563 R C 0.081 176.462 176.300 0.134 0.000 1.035 563 R CA 1.465 57.579 56.100 0.024 0.000 1.289 563 R CB -2.254 28.106 30.300 0.099 0.000 1.906 563 R HN 0.718 nan 8.270 nan 0.000 0.540 564 W N -0.195 121.137 121.300 0.053 0.000 2.736 564 W HA 0.737 5.397 4.660 0.000 0.000 0.335 564 W C -1.010 175.564 176.519 0.091 0.000 1.059 564 W CA -1.149 56.246 57.345 0.083 0.000 1.226 564 W CB 0.957 30.466 29.460 0.083 0.000 1.416 564 W HN -0.139 nan 8.180 nan 0.000 0.505 565 V N 3.466 123.618 119.914 0.396 0.000 2.735 565 V HA 0.450 4.571 4.120 0.001 0.000 0.310 565 V C -1.040 175.383 176.094 0.549 0.000 1.061 565 V CA -0.562 61.939 62.300 0.336 0.000 0.913 565 V CB 2.007 33.907 31.823 0.128 0.000 1.005 565 V HN 0.771 nan 8.190 nan 0.000 0.428 566 H N 6.140 125.456 119.070 0.410 0.000 2.489 566 H HA 0.495 5.051 4.556 0.001 0.000 0.343 566 H C -1.487 173.995 175.328 0.256 0.000 1.086 566 H CA -0.642 55.591 56.048 0.309 0.000 1.198 566 H CB 1.974 31.903 29.762 0.279 0.000 1.490 566 H HN 0.611 nan 8.280 nan 0.000 0.504 567 L N 5.259 126.417 121.223 -0.108 0.000 2.265 567 L HA 0.235 4.576 4.340 0.001 0.000 0.289 567 L C 0.345 177.171 176.870 -0.073 0.000 1.033 567 L CA -0.303 54.566 54.840 0.050 0.000 0.814 567 L CB 0.851 43.056 42.059 0.244 0.000 1.203 567 L HN 0.701 nan 8.230 nan 0.000 0.423 568 E N 4.270 124.554 120.200 0.139 0.000 2.652 568 E HA 0.185 4.535 4.350 0.001 0.000 0.255 568 E C 1.109 177.774 176.600 0.109 0.000 0.952 568 E CA 1.202 57.709 56.400 0.179 0.000 0.947 568 E CB 0.172 29.959 29.700 0.145 0.000 0.912 568 E HN 0.997 nan 8.360 nan 0.000 0.489 569 G N 3.619 112.487 108.800 0.114 0.000 2.205 569 G HA2 -0.349 3.612 3.960 0.001 0.000 0.261 569 G HA3 -0.349 3.612 3.960 0.001 0.000 0.261 569 G C 0.272 175.238 174.900 0.110 0.000 0.980 569 G CA 0.413 45.569 45.100 0.093 0.000 0.632 569 G HN 0.609 nan 8.290 nan 0.000 0.533 570 F N 0.992 120.873 119.950 -0.115 0.000 2.539 570 F HA 0.541 5.068 4.527 0.001 0.000 0.277 570 F C 1.438 177.079 175.800 -0.264 0.000 0.925 570 F CA 2.315 60.213 58.000 -0.170 0.000 1.193 570 F CB 0.574 39.466 39.000 -0.180 0.000 1.128 570 F HN 1.009 nan 8.300 nan 0.000 0.740 571 G N -0.470 107.907 108.800 -0.706 0.000 2.339 571 G HA2 0.356 4.316 3.960 0.001 0.000 0.275 571 G HA3 0.356 4.316 3.960 0.001 0.000 0.275 571 G C -0.963 173.452 174.900 -0.808 0.000 1.323 571 G CA -0.385 44.201 45.100 -0.857 0.000 0.927 571 G HN 0.657 nan 8.290 nan 0.000 0.486 572 G N -1.425 107.012 108.800 -0.605 0.000 2.441 572 G HA2 0.746 4.707 3.960 0.001 0.000 0.334 572 G HA3 0.746 4.707 3.960 0.001 0.000 0.334 572 G C -1.538 173.095 174.900 -0.446 0.000 1.161 572 G CA -0.632 44.264 45.100 -0.339 0.000 0.935 572 G HN 0.686 nan 8.290 nan 0.000 0.488 573 Y N -0.742 119.623 120.300 0.109 0.000 2.524 573 Y HA 0.690 5.241 4.550 0.001 0.000 0.347 573 Y C 0.225 176.233 175.900 0.180 0.000 1.005 573 Y CA -0.778 57.398 58.100 0.127 0.000 1.025 573 Y CB 2.867 41.389 38.460 0.103 0.000 1.275 573 Y HN 0.839 nan 8.280 nan 0.000 0.460 574 A N 2.989 126.016 122.820 0.346 0.000 2.513 574 A HA 0.690 5.011 4.320 0.001 0.000 0.296 574 A C -1.485 176.257 177.584 0.263 0.000 1.052 574 A CA -0.868 51.344 52.037 0.291 0.000 0.714 574 A CB 1.125 20.272 19.000 0.244 0.000 1.279 574 A HN 0.563 nan 8.150 nan 0.000 0.397 575 M N 2.845 122.573 119.600 0.213 0.000 2.162 575 M HA 0.273 4.753 4.480 0.001 0.000 0.356 575 M C 0.394 176.797 176.300 0.172 0.000 1.303 575 M CA -0.108 55.305 55.300 0.189 0.000 1.116 575 M CB 0.439 33.106 32.600 0.112 0.000 1.632 575 M HN 0.695 nan 8.290 nan 0.000 0.469 576 L N 2.235 123.566 121.223 0.179 0.000 2.700 576 L HA 0.083 4.423 4.340 0.001 0.000 0.234 576 L C 0.434 177.367 176.870 0.104 0.000 1.156 576 L CA 0.054 54.974 54.840 0.133 0.000 0.946 576 L CB -0.188 41.942 42.059 0.118 0.000 1.216 576 L HN 0.710 nan 8.230 nan 0.000 0.493 577 D N -2.678 117.787 120.400 0.109 0.000 2.798 577 D HA 0.064 4.705 4.640 0.001 0.000 0.308 577 D C -0.289 176.050 176.300 0.065 0.000 1.187 577 D CA -0.360 53.688 54.000 0.080 0.000 1.033 577 D CB 0.669 41.520 40.800 0.085 0.000 1.445 577 D HN -0.080 nan 8.370 nan 0.000 0.550 578 D N -0.979 119.449 120.400 0.046 0.000 2.363 578 D HA 0.090 4.730 4.640 0.001 0.000 0.214 578 D C -0.038 176.269 176.300 0.012 0.000 1.093 578 D CA -0.271 53.744 54.000 0.025 0.000 0.837 578 D CB -0.183 40.627 40.800 0.017 0.000 0.948 578 D HN 0.175 nan 8.370 nan 0.000 0.507 579 S N 1.801 117.519 115.700 0.031 0.000 2.574 579 S HA 0.026 4.496 4.470 0.001 0.000 0.302 579 S C -2.249 172.326 174.600 -0.042 0.000 1.270 579 S CA -0.246 57.964 58.200 0.018 0.000 1.040 579 S CB 0.169 63.402 63.200 0.054 0.000 0.767 579 S HN 0.249 nan 8.310 nan 0.000 0.494 580 P HA 0.291 nan 4.420 nan 0.000 0.276 580 P C -0.984 176.157 177.300 -0.265 0.000 1.235 580 P CA -0.584 62.393 63.100 -0.205 0.000 0.772 580 P CB 0.450 31.998 31.700 -0.254 0.000 0.871 581 L N 4.945 125.979 121.223 -0.315 0.000 2.265 581 L HA 0.283 4.623 4.340 0.001 0.000 0.289 581 L C -0.313 176.256 176.870 -0.501 0.000 1.033 581 L CA -0.205 54.435 54.840 -0.334 0.000 0.814 581 L CB -0.254 41.665 42.059 -0.233 0.000 1.203 581 L HN 0.404 nan 8.230 nan 0.000 0.423 582 H N 5.083 123.822 119.070 -0.552 0.000 2.604 582 H HA 0.398 4.954 4.556 0.001 0.000 0.306 582 H C -0.830 174.139 175.328 -0.597 0.000 1.075 582 H CA -0.499 55.133 56.048 -0.694 0.000 1.357 582 H CB 1.338 30.331 29.762 -1.282 0.000 1.426 582 H HN 0.344 nan 8.280 nan 0.000 0.470 583 V N 5.757 125.521 119.914 -0.251 0.000 2.384 583 V HA 0.160 4.281 4.120 0.001 0.000 0.287 583 V C -0.161 175.899 176.094 -0.056 0.000 1.020 583 V CA -0.774 61.435 62.300 -0.153 0.000 0.850 583 V CB 1.681 33.416 31.823 -0.146 0.000 0.987 583 V HN 0.402 nan 8.190 nan 0.000 0.436 584 L N 5.226 126.455 121.223 0.010 0.000 2.356 584 L HA 0.620 4.961 4.340 0.001 0.000 0.277 584 L C -0.166 176.720 176.870 0.027 0.000 0.996 584 L CA -0.468 54.398 54.840 0.042 0.000 0.822 584 L CB 1.605 43.727 42.059 0.105 0.000 1.256 584 L HN 0.705 nan 8.230 nan 0.000 0.413 585 R N 4.407 124.916 120.500 0.014 0.000 2.221 585 R HA 0.446 4.786 4.340 0.001 0.000 0.327 585 R C -0.865 175.451 176.300 0.026 0.000 1.033 585 R CA -0.238 55.872 56.100 0.017 0.000 0.887 585 R CB 0.604 30.906 30.300 0.004 0.000 1.057 585 R HN 0.860 nan 8.270 nan 0.000 0.455 586 E N 2.148 122.377 120.200 0.049 0.000 2.336 586 E HA 0.361 4.712 4.350 0.001 0.000 0.267 586 E C -1.320 175.321 176.600 0.068 0.000 0.906 586 E CA -1.055 55.370 56.400 0.042 0.000 0.781 586 E CB 2.037 31.748 29.700 0.019 0.000 1.261 586 E HN 0.250 nan 8.360 nan 0.000 0.436 587 T N 1.730 116.309 114.554 0.041 0.000 2.770 587 T HA 0.417 4.768 4.350 0.001 0.000 0.283 587 T C -0.524 174.196 174.700 0.032 0.000 0.988 587 T CA -0.701 61.428 62.100 0.049 0.000 0.957 587 T CB 0.611 69.492 68.868 0.022 0.000 0.930 587 T HN 0.288 nan 8.240 nan 0.000 0.443 588 R N 1.844 122.382 120.500 0.064 0.000 2.740 588 R HA 0.766 5.106 4.340 0.001 0.000 0.282 588 R C -0.711 175.592 176.300 0.006 0.000 0.969 588 R CA -0.793 55.303 56.100 -0.007 0.000 0.918 588 R CB 2.014 32.243 30.300 -0.119 0.000 1.175 588 R HN 0.501 nan 8.270 nan 0.000 0.464 589 S N -0.204 115.478 115.700 -0.030 0.000 2.568 589 S HA 0.901 5.371 4.470 0.001 0.000 0.293 589 S C -0.647 173.923 174.600 -0.050 0.000 1.089 589 S CA -0.784 57.401 58.200 -0.025 0.000 0.945 589 S CB 2.353 65.544 63.200 -0.015 0.000 1.077 589 S HN 0.842 nan 8.310 nan 0.000 0.485 590 G N 0.769 109.538 108.800 -0.053 0.000 2.368 590 G HA2 0.519 4.480 3.960 0.001 0.000 0.293 590 G HA3 0.519 4.480 3.960 0.001 0.000 0.293 590 G C -1.323 173.530 174.900 -0.079 0.000 1.467 590 G CA -0.511 44.547 45.100 -0.070 0.000 0.804 590 G HN 0.926 nan 8.290 nan 0.000 0.535 591 S N -1.222 114.444 115.700 -0.056 0.000 2.607 591 S HA 0.513 4.983 4.470 0.001 0.000 0.303 591 S C 0.303 174.901 174.600 -0.003 0.000 1.086 591 S CA -0.740 57.461 58.200 0.001 0.000 0.995 591 S CB 1.860 65.097 63.200 0.062 0.000 1.084 591 S HN 0.683 nan 8.310 nan 0.000 0.507 592 W N 1.266 122.615 121.300 0.082 0.000 2.465 592 W HA -0.048 4.613 4.660 0.001 0.000 0.268 592 W C 2.799 179.353 176.519 0.058 0.000 1.242 592 W CA 1.128 58.527 57.345 0.091 0.000 1.248 592 W CB -0.363 29.153 29.460 0.094 0.000 1.118 592 W HN 0.941 nan 8.180 nan 0.000 0.587 593 S N -0.527 115.317 115.700 0.240 0.000 2.419 593 S HA -0.113 4.357 4.470 0.001 0.000 0.235 593 S C 2.021 176.669 174.600 0.081 0.000 1.019 593 S CA 1.290 59.572 58.200 0.136 0.000 0.982 593 S CB -1.082 62.174 63.200 0.094 0.000 0.789 593 S HN 0.263 nan 8.310 nan 0.000 0.490 594 G N 0.950 109.782 108.800 0.053 0.000 2.509 594 G HA2 0.046 4.007 3.960 0.001 0.000 0.218 594 G HA3 0.046 4.007 3.960 0.001 0.000 0.218 594 G C 1.260 176.142 174.900 -0.031 0.000 1.124 594 G CA 0.933 46.031 45.100 -0.004 0.000 0.776 594 G HN 1.033 nan 8.290 nan 0.000 0.547 595 V N -3.784 116.142 119.914 0.021 0.000 3.432 595 V HA 0.399 4.519 4.120 0.001 0.000 0.298 595 V C -0.001 176.134 176.094 0.069 0.000 1.464 595 V CA -0.331 61.968 62.300 -0.001 0.000 1.046 595 V CB 0.197 32.045 31.823 0.042 0.000 0.887 595 V HN 0.173 nan 8.190 nan 0.000 0.441 596 N N 0.040 118.807 118.700 0.112 0.000 2.455 596 N HA 0.320 5.061 4.740 0.001 0.000 0.285 596 N C -0.156 175.399 175.510 0.075 0.000 1.080 596 N CA -0.413 52.696 53.050 0.098 0.000 0.932 596 N CB 2.534 41.113 38.487 0.153 0.000 1.610 596 N HN 0.045 nan 8.380 nan 0.000 0.493 597 I N 2.860 123.455 120.570 0.040 0.000 2.700 597 I HA -0.038 4.133 4.170 0.001 0.000 0.261 597 I C 1.055 177.194 176.117 0.037 0.000 1.219 597 I CA 1.061 62.381 61.300 0.033 0.000 1.463 597 I CB -0.136 37.877 38.000 0.021 0.000 1.092 597 I HN 0.469 nan 8.210 nan 0.000 0.452 598 N N 0.431 119.152 118.700 0.036 0.000 2.270 598 N HA 0.152 4.892 4.740 0.001 0.000 0.198 598 N C 0.756 176.292 175.510 0.043 0.000 1.117 598 N CA 0.365 53.430 53.050 0.025 0.000 0.845 598 N CB 0.162 38.648 38.487 -0.002 0.000 0.980 598 N HN 0.318 nan 8.380 nan 0.000 0.486 599 G N 0.654 109.510 108.800 0.095 0.000 2.539 599 G HA2 0.262 4.222 3.960 0.001 0.000 0.258 599 G HA3 0.262 4.222 3.960 0.001 0.000 0.258 599 G C 0.343 175.329 174.900 0.142 0.000 1.202 599 G CA -0.326 44.871 45.100 0.162 0.000 0.851 599 G HN 0.165 nan 8.290 nan 0.000 0.556 600 S N -0.048 115.747 115.700 0.158 0.000 2.584 600 S HA 0.403 4.873 4.470 0.001 0.000 0.270 600 S C 1.365 176.057 174.600 0.154 0.000 1.346 600 S CA 0.130 58.408 58.200 0.130 0.000 1.018 600 S CB 1.617 64.886 63.200 0.115 0.000 0.899 600 S HN 1.233 nan 8.310 nan 0.000 0.542 601 A N 1.548 124.430 122.820 0.103 0.000 2.169 601 A HA 0.233 4.554 4.320 0.001 0.000 0.212 601 A C 1.136 178.773 177.584 0.088 0.000 1.153 601 A CA 0.094 52.182 52.037 0.086 0.000 0.756 601 A CB -1.043 17.991 19.000 0.058 0.000 0.813 601 A HN 0.845 nan 8.150 nan 0.000 0.471 602 T N 1.157 115.773 114.554 0.104 0.000 2.891 602 T HA 0.208 4.559 4.350 0.001 0.000 0.296 602 T C 0.115 174.877 174.700 0.104 0.000 1.025 602 T CA 0.288 62.449 62.100 0.101 0.000 1.149 602 T CB 0.491 69.431 68.868 0.119 0.000 1.007 602 T HN 0.061 nan 8.240 nan 0.000 0.528 603 V N 5.787 125.742 119.914 0.070 0.000 2.408 603 V HA 0.150 4.271 4.120 0.001 0.000 0.267 603 V C 0.441 176.569 176.094 0.056 0.000 1.047 603 V CA -0.446 61.883 62.300 0.049 0.000 0.937 603 V CB 0.854 32.695 31.823 0.029 0.000 0.999 603 V HN 0.728 nan 8.190 nan 0.000 0.472 604 Q N 4.132 123.960 119.800 0.047 0.000 2.230 604 Q HA 0.444 4.784 4.340 0.001 0.000 0.253 604 Q C -0.468 175.551 176.000 0.032 0.000 0.919 604 Q CA -0.240 55.597 55.803 0.056 0.000 0.908 604 Q CB 2.331 31.113 28.738 0.073 0.000 1.245 604 Q HN 0.790 nan 8.270 nan 0.000 0.437 605 Q N 2.466 122.292 119.800 0.043 0.000 2.321 605 Q HA 0.436 4.776 4.340 0.001 0.000 0.270 605 Q C -1.125 174.901 176.000 0.043 0.000 1.032 605 Q CA -0.601 55.224 55.803 0.037 0.000 0.784 605 Q CB 1.240 29.995 28.738 0.028 0.000 1.264 605 Q HN 0.385 nan 8.270 nan 0.000 0.448 606 R N 2.623 123.159 120.500 0.060 0.000 2.744 606 R HA 0.495 4.835 4.340 0.001 0.000 0.279 606 R C -1.039 175.278 176.300 0.029 0.000 0.977 606 R CA -0.948 55.159 56.100 0.011 0.000 0.906 606 R CB 1.541 31.825 30.300 -0.027 0.000 1.197 606 R HN 0.683 nan 8.270 nan 0.000 0.463 607 N N 1.476 120.110 118.700 -0.111 0.000 2.479 607 N HA 0.442 5.182 4.740 0.001 0.000 0.285 607 N C -0.884 174.464 175.510 -0.270 0.000 1.075 607 N CA 0.072 53.076 53.050 -0.077 0.000 0.967 607 N CB 0.804 39.240 38.487 -0.085 0.000 1.137 607 N HN 0.277 nan 8.380 nan 0.000 0.472 608 F N 0.130 119.972 119.950 -0.180 0.000 2.565 608 F HA 0.550 5.078 4.527 0.001 0.000 0.313 608 F C 0.116 175.821 175.800 -0.159 0.000 1.091 608 F CA -1.095 56.756 58.000 -0.249 0.000 0.915 608 F CB 1.581 40.380 39.000 -0.335 0.000 1.208 608 F HN 0.376 nan 8.300 nan 0.000 0.453 609 A N 1.861 124.673 122.820 -0.012 0.000 2.276 609 A HA 0.689 5.010 4.320 0.001 0.000 0.300 609 A C -0.532 177.074 177.584 0.036 0.000 1.235 609 A CA -0.270 51.763 52.037 -0.007 0.000 0.867 609 A CB 0.160 19.123 19.000 -0.062 0.000 1.137 609 A HN 0.670 nan 8.150 nan 0.000 0.527 610 T N 3.340 117.933 114.554 0.065 0.000 2.809 610 T HA 0.574 4.924 4.350 0.001 0.000 0.284 610 T C -0.826 173.902 174.700 0.046 0.000 0.992 610 T CA -0.089 62.075 62.100 0.107 0.000 0.957 610 T CB 0.583 69.539 68.868 0.146 0.000 0.942 610 T HN 0.395 nan 8.240 nan 0.000 0.439 611 L N 4.793 125.990 121.223 -0.042 0.000 2.381 611 L HA 0.701 5.041 4.340 0.001 0.000 0.274 611 L C -0.900 175.910 176.870 -0.100 0.000 0.988 611 L CA -0.817 53.919 54.840 -0.174 0.000 0.824 611 L CB 1.198 42.992 42.059 -0.442 0.000 1.263 611 L HN 0.778 nan 8.230 nan 0.000 0.410 612 Y N 0.997 121.158 120.300 -0.231 0.000 2.592 612 Y HA 0.820 5.370 4.550 0.001 0.000 0.334 612 Y C -1.556 174.241 175.900 -0.171 0.000 1.136 612 Y CA -1.446 56.507 58.100 -0.245 0.000 1.042 612 Y CB 1.165 39.482 38.460 -0.238 0.000 1.325 612 Y HN 0.130 nan 8.280 nan 0.000 0.457 613 V N 2.870 122.712 119.914 -0.119 0.000 2.472 613 V HA 0.348 4.468 4.120 0.001 0.000 0.290 613 V C -0.684 175.297 176.094 -0.189 0.000 1.037 613 V CA -0.688 61.507 62.300 -0.173 0.000 0.908 613 V CB 1.533 33.214 31.823 -0.236 0.000 0.985 613 V HN 0.775 nan 8.190 nan 0.000 0.454 614 N N 2.815 121.428 118.700 -0.145 0.000 2.437 614 N HA 0.258 4.998 4.740 0.001 0.000 0.259 614 N C 0.579 175.978 175.510 -0.186 0.000 0.983 614 N CA -0.260 52.698 53.050 -0.155 0.000 0.937 614 N CB 0.705 39.098 38.487 -0.155 0.000 1.122 614 N HN 0.616 nan 8.380 nan 0.000 0.499 615 H N 2.399 121.493 119.070 0.040 0.000 2.551 615 H HA 0.203 4.759 4.556 0.001 0.000 0.266 615 H C 1.217 176.557 175.328 0.020 0.000 0.964 615 H CA 0.742 56.815 56.048 0.041 0.000 1.180 615 H CB 0.139 29.929 29.762 0.046 0.000 1.408 615 H HN 0.781 nan 8.280 nan 0.000 0.563 616 G N 0.550 109.400 108.800 0.084 0.000 2.760 616 G HA2 -0.258 3.703 3.960 0.001 0.000 0.246 616 G HA3 -0.258 3.703 3.960 0.001 0.000 0.246 616 G C -0.397 174.525 174.900 0.036 0.000 1.359 616 G CA -0.245 44.880 45.100 0.042 0.000 0.861 616 G HN 0.190 nan 8.290 nan 0.000 0.541 617 V N 1.320 121.243 119.914 0.015 0.000 2.686 617 V HA 0.488 4.608 4.120 0.001 0.000 0.295 617 V C 1.879 177.980 176.094 0.012 0.000 1.055 617 V CA 1.439 63.743 62.300 0.006 0.000 1.050 617 V CB 0.678 32.499 31.823 -0.003 0.000 0.984 617 V HN 2.719 nan 8.190 nan 0.000 0.482 618 G N 5.258 114.062 108.800 0.007 0.000 2.395 618 G HA2 -0.174 3.786 3.960 0.001 0.000 0.300 618 G HA3 -0.174 3.786 3.960 0.001 0.000 0.300 618 G C -1.323 173.583 174.900 0.009 0.000 0.998 618 G CA -0.176 44.927 45.100 0.004 0.000 1.046 618 G HN 0.686 nan 8.290 nan 0.000 0.513 619 P HA 0.332 nan 4.420 nan 0.000 0.266 619 P C -0.025 177.272 177.300 -0.006 0.000 1.195 619 P CA -0.014 63.097 63.100 0.018 0.000 0.768 619 P CB 1.468 33.185 31.700 0.028 0.000 0.838 620 V N 2.420 122.330 119.914 -0.007 0.000 2.409 620 V HA 0.435 4.555 4.120 0.001 0.000 0.291 620 V C 0.754 176.831 176.094 -0.028 0.000 1.020 620 V CA -0.199 62.090 62.300 -0.017 0.000 0.848 620 V CB 0.679 32.496 31.823 -0.009 0.000 0.990 620 V HN 0.857 nan 8.190 nan 0.000 0.430 621 A N 3.677 126.469 122.820 -0.047 0.000 2.596 621 A HA -0.131 4.189 4.320 0.001 0.000 0.300 621 A C 1.065 178.605 177.584 -0.074 0.000 1.495 621 A CA 0.717 52.714 52.037 -0.067 0.000 0.769 621 A CB -1.506 17.465 19.000 -0.049 0.000 1.047 621 A HN 1.698 nan 8.150 nan 0.000 0.436 622 G N -0.413 108.330 108.800 -0.095 0.000 2.630 622 G HA2 0.564 4.524 3.960 0.001 0.000 0.236 622 G HA3 0.564 4.524 3.960 0.001 0.000 0.236 622 G C 0.303 175.102 174.900 -0.169 0.000 1.248 622 G CA 0.806 45.839 45.100 -0.111 0.000 0.844 622 G HN 2.256 nan 8.290 nan 0.000 0.588 623 S N -0.337 115.321 115.700 -0.071 0.000 2.596 623 S HA 0.764 5.234 4.470 0.001 0.000 0.270 623 S C -1.054 173.654 174.600 0.180 0.000 1.155 623 S CA -0.893 57.262 58.200 -0.074 0.000 0.827 623 S CB 1.788 64.952 63.200 -0.060 0.000 1.130 623 S HN 1.531 nan 8.310 nan 0.000 0.467 624 Y N -1.206 119.186 120.300 0.153 0.000 2.588 624 Y HA 0.936 5.486 4.550 0.001 0.000 0.343 624 Y C -0.896 175.102 175.900 0.163 0.000 1.065 624 Y CA -1.165 57.073 58.100 0.230 0.000 1.038 624 Y CB 1.289 39.959 38.460 0.350 0.000 1.297 624 Y HN 1.190 nan 8.280 nan 0.000 0.467 625 A N 2.561 125.620 122.820 0.399 0.000 2.466 625 A HA 0.705 5.025 4.320 0.001 0.000 0.284 625 A C -1.982 175.831 177.584 0.381 0.000 1.049 625 A CA -0.630 51.577 52.037 0.282 0.000 0.760 625 A CB 0.259 19.328 19.000 0.115 0.000 1.274 625 A HN 1.319 nan 8.150 nan 0.000 0.412 626 Y N -0.156 120.288 120.300 0.241 0.000 2.670 626 Y HA 0.847 5.397 4.550 0.001 0.000 0.334 626 Y C -0.829 175.175 175.900 0.174 0.000 1.185 626 Y CA -1.341 56.870 58.100 0.185 0.000 1.053 626 Y CB 1.313 39.875 38.460 0.169 0.000 1.298 626 Y HN 0.897 nan 8.280 nan 0.000 0.459 627 M N 1.366 121.111 119.600 0.241 0.000 2.593 627 M HA 0.902 5.382 4.480 0.001 0.000 0.290 627 M C -2.199 174.218 176.300 0.195 0.000 1.244 627 M CA -1.078 54.277 55.300 0.092 0.000 0.857 627 M CB 2.642 35.213 32.600 -0.049 0.000 1.738 627 M HN 0.461 nan 8.290 nan 0.000 0.461 628 V N 1.512 121.459 119.914 0.055 0.000 2.540 628 V HA 0.859 4.980 4.120 0.001 0.000 0.302 628 V C -0.452 175.418 176.094 -0.372 0.000 1.035 628 V CA -0.594 61.629 62.300 -0.127 0.000 0.873 628 V CB 1.621 33.321 31.823 -0.206 0.000 0.992 628 V HN 0.994 nan 8.190 nan 0.000 0.428 629 A N 5.949 128.461 122.820 -0.512 0.000 2.842 629 A HA 0.768 5.088 4.320 0.001 0.000 0.339 629 A C -2.812 174.330 177.584 -0.738 0.000 1.177 629 A CA -1.531 50.196 52.037 -0.518 0.000 0.797 629 A CB 0.508 19.310 19.000 -0.331 0.000 1.094 629 A HN 0.586 nan 8.150 nan 0.000 0.474 630 P HA 0.321 nan 4.420 nan 0.000 0.268 630 P C 1.168 178.096 177.300 -0.620 0.000 1.204 630 P CA 1.754 64.192 63.100 -1.102 0.000 0.768 630 P CB 1.004 32.204 31.700 -0.834 0.000 0.842 631 G N 1.632 110.087 108.800 -0.574 0.000 2.199 631 G HA2 -0.201 3.759 3.960 0.001 0.000 0.254 631 G HA3 -0.201 3.759 3.960 0.001 0.000 0.254 631 G C 0.419 175.226 174.900 -0.155 0.000 0.982 631 G CA 0.050 45.012 45.100 -0.230 0.000 0.632 631 G HN 0.866 nan 8.290 nan 0.000 0.529 632 A N 0.670 123.359 122.820 -0.219 0.000 2.440 632 A HA 0.687 5.008 4.320 0.001 0.000 0.251 632 A C 1.129 178.745 177.584 0.053 0.000 1.089 632 A CA 0.992 52.973 52.037 -0.094 0.000 0.779 632 A CB 0.282 19.203 19.000 -0.133 0.000 1.022 632 A HN 1.968 nan 8.150 nan 0.000 0.492 633 S N 1.598 117.302 115.700 0.006 0.000 2.606 633 S HA 0.219 4.689 4.470 0.001 0.000 0.257 633 S C 1.200 175.672 174.600 -0.212 0.000 1.327 633 S CA -0.109 58.053 58.200 -0.062 0.000 0.984 633 S CB 0.530 63.678 63.200 -0.087 0.000 0.941 633 S HN 0.737 nan 8.310 nan 0.000 0.576 634 V N 1.247 120.873 119.914 -0.480 0.000 2.343 634 V HA -0.157 3.964 4.120 0.001 0.000 0.247 634 V C 2.219 178.102 176.094 -0.352 0.000 1.051 634 V CA 2.140 64.165 62.300 -0.458 0.000 1.036 634 V CB -1.117 30.500 31.823 -0.344 0.000 0.654 634 V HN 0.814 nan 8.190 nan 0.000 0.451 635 D N 0.189 120.445 120.400 -0.241 0.000 2.092 635 D HA -0.191 4.450 4.640 0.001 0.000 0.193 635 D C 2.041 178.202 176.300 -0.232 0.000 0.994 635 D CA 1.290 55.166 54.000 -0.206 0.000 0.828 635 D CB -0.385 40.341 40.800 -0.123 0.000 0.963 635 D HN 0.315 nan 8.370 nan 0.000 0.450 636 L N 0.848 121.967 121.223 -0.174 0.000 2.083 636 L HA -0.129 4.212 4.340 0.001 0.000 0.209 636 L C 2.358 179.111 176.870 -0.194 0.000 1.083 636 L CA 1.520 56.276 54.840 -0.139 0.000 0.752 636 L CB -0.628 41.385 42.059 -0.077 0.000 0.899 636 L HN -0.014 nan 8.230 nan 0.000 0.433 637 T N -1.203 113.196 114.554 -0.258 0.000 2.777 637 T HA -0.207 4.143 4.350 0.001 0.000 0.266 637 T C 2.013 176.314 174.700 -0.665 0.000 1.040 637 T CA 1.385 63.305 62.100 -0.299 0.000 1.141 637 T CB -0.193 68.603 68.868 -0.120 0.000 0.868 637 T HN 0.307 nan 8.240 nan 0.000 0.444 638 R N 1.195 121.039 120.500 -1.094 0.000 2.081 638 R HA -0.048 4.293 4.340 0.001 0.000 0.235 638 R C 1.892 177.818 176.300 -0.625 0.000 1.131 638 R CA 1.412 56.619 56.100 -1.489 0.000 0.960 638 R CB -0.038 29.675 30.300 -0.978 0.000 0.856 638 R HN 0.270 nan 8.270 nan 0.000 0.436 639 K N 0.332 120.521 120.400 -0.352 0.000 2.487 639 K HA 0.020 4.340 4.320 0.001 0.000 0.192 639 K C 1.816 178.384 176.600 -0.054 0.000 1.027 639 K CA 0.166 56.362 56.287 -0.151 0.000 1.054 639 K CB 0.142 32.579 32.500 -0.105 0.000 0.824 639 K HN 0.208 nan 8.250 nan 0.000 0.510 640 L N 0.581 121.777 121.223 -0.046 0.000 2.012 640 L HA -0.197 4.143 4.340 0.001 0.000 0.210 640 L C 1.834 178.838 176.870 0.223 0.000 1.073 640 L CA 1.349 56.274 54.840 0.142 0.000 0.748 640 L CB -0.256 41.856 42.059 0.088 0.000 0.891 640 L HN 0.228 nan 8.230 nan 0.000 0.431 641 L N -0.971 120.335 121.223 0.138 0.000 2.599 641 L HA 0.028 4.369 4.340 0.001 0.000 0.230 641 L C 0.501 177.420 176.870 0.082 0.000 1.141 641 L CA -0.078 54.847 54.840 0.142 0.000 0.877 641 L CB -0.238 41.918 42.059 0.161 0.000 1.009 641 L HN 0.170 nan 8.230 nan 0.000 0.447 642 E N 0.328 120.555 120.200 0.045 0.000 2.277 642 E HA 0.321 4.671 4.350 0.001 0.000 0.274 642 E C 0.914 177.505 176.600 -0.016 0.000 1.022 642 E CA 0.263 56.673 56.400 0.016 0.000 0.853 642 E CB 1.300 31.002 29.700 0.003 0.000 1.086 642 E HN 0.171 nan 8.360 nan 0.000 0.397 643 G N 2.853 111.641 108.800 -0.020 0.000 2.153 643 G HA2 -0.410 3.550 3.960 0.001 0.000 0.252 643 G HA3 -0.410 3.550 3.960 0.001 0.000 0.252 643 G C 0.544 175.403 174.900 -0.068 0.000 0.994 643 G CA 0.667 45.742 45.100 -0.041 0.000 0.698 643 G HN 0.683 nan 8.290 nan 0.000 0.521 644 N N -1.029 117.634 118.700 -0.060 0.000 2.721 644 N HA -0.192 4.549 4.740 0.001 0.000 0.249 644 N C 1.445 176.849 175.510 -0.177 0.000 1.072 644 N CA 2.006 55.007 53.050 -0.081 0.000 0.710 644 N CB -0.910 37.543 38.487 -0.057 0.000 0.993 644 N HN 0.813 nan 8.380 nan 0.000 0.547 645 K N -1.008 119.212 120.400 -0.299 0.000 2.097 645 K HA -0.124 4.196 4.320 0.001 0.000 0.206 645 K C -0.122 175.947 176.600 -0.885 0.000 1.049 645 K CA 1.367 57.266 56.287 -0.647 0.000 0.933 645 K CB -0.030 31.912 32.500 -0.930 0.000 0.717 645 K HN 0.482 nan 8.250 nan 0.000 0.442 646 Y N -0.181 120.085 120.300 -0.057 0.000 2.447 646 Y HA 0.248 4.798 4.550 0.001 0.000 0.325 646 Y C -0.415 175.386 175.900 -0.166 0.000 0.976 646 Y CA -0.927 57.072 58.100 -0.170 0.000 1.280 646 Y CB 1.784 40.176 38.460 -0.113 0.000 1.104 646 Y HN -0.239 nan 8.280 nan 0.000 0.486 647 S N 3.537 119.149 115.700 -0.148 0.000 2.520 647 S HA 0.534 5.005 4.470 0.001 0.000 0.324 647 S C -0.533 173.983 174.600 -0.141 0.000 1.069 647 S CA -0.551 57.580 58.200 -0.115 0.000 1.121 647 S CB 0.002 63.131 63.200 -0.118 0.000 0.971 647 S HN 0.405 nan 8.310 nan 0.000 0.463 648 V N 7.271 127.126 119.914 -0.099 0.000 2.637 648 V HA 0.240 4.360 4.120 0.001 0.000 0.296 648 V C 1.063 177.094 176.094 -0.105 0.000 1.046 648 V CA 0.250 62.478 62.300 -0.120 0.000 1.066 648 V CB 0.958 32.739 31.823 -0.071 0.000 0.968 648 V HN 0.930 nan 8.190 nan 0.000 0.483 649 I N 2.689 123.180 120.570 -0.132 0.000 2.900 649 I HA 0.269 4.439 4.170 0.001 0.000 0.251 649 I C 1.106 177.180 176.117 -0.072 0.000 1.102 649 I CA 0.405 61.649 61.300 -0.094 0.000 1.457 649 I CB 0.327 38.265 38.000 -0.104 0.000 1.285 649 I HN 0.495 nan 8.210 nan 0.000 0.459 650 R N 0.938 121.380 120.500 -0.097 0.000 2.604 650 R HA 0.379 4.720 4.340 0.001 0.000 0.281 650 R C -1.533 174.725 176.300 -0.070 0.000 1.020 650 R CA -0.477 55.581 56.100 -0.070 0.000 0.899 650 R CB 1.553 31.813 30.300 -0.067 0.000 1.205 650 R HN -0.027 nan 8.270 nan 0.000 0.450 651 N N 2.725 121.399 118.700 -0.044 0.000 2.621 651 N HA 0.212 4.952 4.740 0.001 0.000 0.271 651 N C -2.098 173.390 175.510 -0.037 0.000 1.181 651 N CA -0.390 52.636 53.050 -0.040 0.000 0.805 651 N CB 0.925 39.377 38.487 -0.057 0.000 1.351 651 N HN 0.739 nan 8.380 nan 0.000 0.539 652 D N 0.540 120.930 120.400 -0.016 0.000 2.970 652 D HA 0.339 4.979 4.640 0.001 0.000 0.344 652 D C -0.031 176.273 176.300 0.007 0.000 1.365 652 D CA -0.406 53.582 54.000 -0.020 0.000 0.910 652 D CB 0.071 40.867 40.800 -0.006 0.000 1.445 652 D HN 0.119 nan 8.370 nan 0.000 0.532 653 A N -0.992 121.824 122.820 -0.007 0.000 2.206 653 A HA 0.173 4.493 4.320 0.001 0.000 0.211 653 A C 1.547 179.205 177.584 0.123 0.000 1.158 653 A CA 1.598 53.617 52.037 -0.030 0.000 0.761 653 A CB -0.713 18.249 19.000 -0.063 0.000 0.801 653 A HN 0.505 nan 8.150 nan 0.000 0.473 654 T N -0.516 114.143 114.554 0.174 0.000 2.988 654 T HA 0.506 4.856 4.350 0.001 0.000 0.240 654 T C 0.775 175.639 174.700 0.274 0.000 1.014 654 T CA 1.072 63.314 62.100 0.237 0.000 1.155 654 T CB 0.068 69.030 68.868 0.157 0.000 0.872 654 T HN 0.576 nan 8.240 nan 0.000 0.440 655 A N 0.620 123.520 122.820 0.133 0.000 2.556 655 A HA 0.759 5.079 4.320 0.001 0.000 0.294 655 A C -1.722 175.836 177.584 -0.044 0.000 1.091 655 A CA -0.765 51.201 52.037 -0.117 0.000 0.704 655 A CB 1.439 20.184 19.000 -0.425 0.000 1.300 655 A HN 0.287 nan 8.150 nan 0.000 0.406 656 Q N 0.294 120.039 119.800 -0.091 0.000 2.323 656 Q HA 0.690 5.030 4.340 0.001 0.000 0.271 656 Q C -1.084 174.817 176.000 -0.165 0.000 1.048 656 Q CA -0.589 55.217 55.803 0.005 0.000 0.792 656 Q CB 2.282 31.163 28.738 0.240 0.000 1.280 656 Q HN 0.752 nan 8.270 nan 0.000 0.441 657 S N 1.560 117.058 115.700 -0.338 0.000 2.535 657 S HA 0.658 5.129 4.470 0.001 0.000 0.272 657 S C -2.000 172.250 174.600 -0.583 0.000 1.149 657 S CA -0.596 57.249 58.200 -0.591 0.000 0.888 657 S CB 1.970 64.962 63.200 -0.347 0.000 1.110 657 S HN 0.415 nan 8.310 nan 0.000 0.463 658 V N 3.249 122.696 119.914 -0.779 0.000 2.962 658 V HA 0.736 4.856 4.120 0.001 0.000 0.313 658 V C -0.976 174.801 176.094 -0.528 0.000 1.099 658 V CA -0.588 61.358 62.300 -0.592 0.000 0.971 658 V CB 1.956 33.397 31.823 -0.637 0.000 1.028 658 V HN 1.000 nan 8.190 nan 0.000 0.430 659 E N 4.099 124.044 120.200 -0.425 0.000 2.158 659 E HA 0.441 4.791 4.350 0.001 0.000 0.271 659 E C -1.672 174.712 176.600 -0.360 0.000 0.911 659 E CA -0.616 55.599 56.400 -0.309 0.000 0.767 659 E CB 1.202 30.801 29.700 -0.169 0.000 1.120 659 E HN 0.566 nan 8.360 nan 0.000 0.405 660 F N 4.751 124.674 119.950 -0.045 0.000 2.404 660 F HA 0.203 4.731 4.527 0.001 0.000 0.359 660 F C 1.583 177.348 175.800 -0.058 0.000 1.134 660 F CA -0.401 57.599 58.000 -0.000 0.000 1.160 660 F CB 1.049 40.099 39.000 0.082 0.000 1.186 660 F HN 0.582 nan 8.300 nan 0.000 0.526 661 K N 1.232 121.628 120.400 -0.007 0.000 2.032 661 K HA -0.168 4.152 4.320 0.001 0.000 0.209 661 K C 1.585 178.193 176.600 0.013 0.000 1.048 661 K CA 2.021 58.288 56.287 -0.034 0.000 0.927 661 K CB -0.014 32.421 32.500 -0.109 0.000 0.712 661 K HN 0.643 nan 8.250 nan 0.000 0.441 662 T N 0.071 114.642 114.554 0.027 0.000 2.896 662 T HA 0.048 4.399 4.350 0.001 0.000 0.263 662 T C 1.562 176.310 174.700 0.080 0.000 1.050 662 T CA 0.991 63.119 62.100 0.046 0.000 1.140 662 T CB -0.034 68.859 68.868 0.041 0.000 0.877 662 T HN 0.388 nan 8.240 nan 0.000 0.457 663 A N 1.007 123.898 122.820 0.118 0.000 2.238 663 A HA 0.161 4.481 4.320 0.001 0.000 0.208 663 A C 0.917 178.557 177.584 0.093 0.000 1.177 663 A CA 0.201 52.299 52.037 0.102 0.000 0.804 663 A CB -0.468 18.574 19.000 0.070 0.000 0.823 663 A HN 0.509 nan 8.150 nan 0.000 0.482 664 K N -0.001 120.445 120.400 0.078 0.000 3.078 664 K HA -0.158 4.162 4.320 0.001 0.000 0.261 664 K C -0.717 175.881 176.600 -0.003 0.000 0.947 664 K CA 1.170 57.478 56.287 0.036 0.000 0.702 664 K CB -2.124 30.391 32.500 0.026 0.000 1.318 664 K HN 0.502 nan 8.250 nan 0.000 0.473 665 T N -0.007 114.563 114.554 0.027 0.000 2.893 665 T HA 0.355 4.706 4.350 0.001 0.000 0.293 665 T C -0.347 174.305 174.700 -0.080 0.000 1.027 665 T CA -0.547 61.527 62.100 -0.044 0.000 0.988 665 T CB 2.263 71.145 68.868 0.023 0.000 1.043 665 T HN -0.019 nan 8.240 nan 0.000 0.461 666 T N 2.151 116.438 114.554 -0.444 0.000 2.841 666 T HA 0.786 5.137 4.350 0.001 0.000 0.283 666 T C -0.683 173.713 174.700 -0.507 0.000 1.000 666 T CA -0.518 61.230 62.100 -0.585 0.000 0.977 666 T CB 1.469 69.683 68.868 -1.091 0.000 0.979 666 T HN 0.830 nan 8.240 nan 0.000 0.446 667 A N 1.879 124.531 122.820 -0.280 0.000 2.469 667 A HA 1.039 5.360 4.320 0.001 0.000 0.299 667 A C -1.072 176.334 177.584 -0.296 0.000 1.098 667 A CA -0.815 51.145 52.037 -0.129 0.000 0.737 667 A CB 1.603 20.707 19.000 0.174 0.000 1.312 667 A HN 1.249 nan 8.150 nan 0.000 0.414 668 A N 0.183 122.992 122.820 -0.018 0.000 2.594 668 A HA 0.799 5.119 4.320 0.001 0.000 0.296 668 A C -0.461 177.220 177.584 0.161 0.000 1.061 668 A CA 0.148 52.142 52.037 -0.071 0.000 0.689 668 A CB 0.931 19.900 19.000 -0.052 0.000 1.280 668 A HN 1.969 nan 8.150 nan 0.000 0.406 669 T N -1.182 113.404 114.554 0.052 0.000 2.908 669 T HA 0.821 5.172 4.350 0.001 0.000 0.290 669 T C -0.902 173.527 174.700 -0.451 0.000 1.034 669 T CA -0.499 61.583 62.100 -0.030 0.000 1.010 669 T CB 1.121 70.009 68.868 0.032 0.000 1.068 669 T HN 0.454 nan 8.240 nan 0.000 0.481 670 F N 0.793 120.613 119.950 -0.216 0.000 2.518 670 F HA 0.492 5.019 4.527 0.001 0.000 0.323 670 F C -0.026 175.678 175.800 -0.160 0.000 1.129 670 F CA -1.046 56.859 58.000 -0.159 0.000 0.920 670 F CB 1.707 40.665 39.000 -0.070 0.000 1.160 670 F HN 0.721 nan 8.300 nan 0.000 0.440 671 W N 1.148 122.692 121.300 0.406 0.000 2.735 671 W HA 0.278 4.938 4.660 0.001 0.000 0.264 671 W C 0.053 176.734 176.519 0.271 0.000 1.233 671 W CA -0.049 57.516 57.345 0.366 0.000 1.408 671 W CB 0.495 30.033 29.460 0.129 0.000 1.038 671 W HN 0.106 nan 8.180 nan 0.000 0.603 672 K N -0.305 120.347 120.400 0.420 0.000 2.469 672 K HA 0.302 4.623 4.320 0.001 0.000 0.254 672 K C -2.704 174.041 176.600 0.242 0.000 0.939 672 K CA -2.216 54.237 56.287 0.277 0.000 0.812 672 K CB 1.893 34.527 32.500 0.224 0.000 1.301 672 K HN -0.549 nan 8.250 nan 0.000 0.433 673 P HA -0.146 nan 4.420 nan 0.000 0.258 673 P C -0.393 176.987 177.300 0.134 0.000 1.136 673 P CA 1.011 64.163 63.100 0.088 0.000 0.761 673 P CB 0.253 31.990 31.700 0.063 0.000 0.724 674 G N 2.425 111.305 108.800 0.134 0.000 2.323 674 G HA2 0.452 4.412 3.960 0.001 0.000 0.291 674 G HA3 0.452 4.412 3.960 0.001 0.000 0.291 674 G C -1.941 173.108 174.900 0.249 0.000 1.278 674 G CA -0.711 44.501 45.100 0.185 0.000 0.860 674 G HN 0.288 nan 8.290 nan 0.000 0.504 675 M N 0.375 120.137 119.600 0.270 0.000 2.395 675 M HA 0.688 5.169 4.480 0.001 0.000 0.307 675 M C -0.432 176.026 176.300 0.265 0.000 1.091 675 M CA -0.773 54.693 55.300 0.276 0.000 0.919 675 M CB 1.823 34.505 32.600 0.136 0.000 1.662 675 M HN 1.148 nan 8.290 nan 0.000 0.440 676 A N 2.125 125.119 122.820 0.289 0.000 2.323 676 A HA 0.724 5.045 4.320 0.001 0.000 0.305 676 A C 0.706 178.363 177.584 0.122 0.000 1.275 676 A CA 0.199 52.298 52.037 0.103 0.000 0.804 676 A CB 0.323 19.270 19.000 -0.089 0.000 1.152 676 A HN 1.138 nan 8.150 nan 0.000 0.487 677 G N 3.031 111.878 108.800 0.077 0.000 2.652 677 G HA2 -0.384 3.577 3.960 0.001 0.000 0.318 677 G HA3 -0.384 3.577 3.960 0.001 0.000 0.318 677 G C 0.521 175.478 174.900 0.094 0.000 1.295 677 G CA 1.089 46.235 45.100 0.077 0.000 0.999 677 G HN 1.298 nan 8.290 nan 0.000 0.548 678 D N 0.165 120.621 120.400 0.094 0.000 2.340 678 D HA 0.309 4.950 4.640 0.001 0.000 0.220 678 D C 1.031 177.353 176.300 0.036 0.000 1.039 678 D CA 0.160 54.197 54.000 0.061 0.000 0.866 678 D CB 0.074 40.901 40.800 0.044 0.000 0.913 678 D HN 0.495 nan 8.370 nan 0.000 0.523 679 L N 0.864 122.147 121.223 0.101 0.000 2.326 679 L HA 0.642 4.982 4.340 0.001 0.000 0.278 679 L C 0.207 177.171 176.870 0.157 0.000 1.092 679 L CA -0.033 54.862 54.840 0.092 0.000 0.810 679 L CB 1.479 43.702 42.059 0.273 0.000 1.153 679 L HN 0.072 nan 8.230 nan 0.000 0.439 680 G N 3.032 111.811 108.800 -0.035 0.000 2.619 680 G HA2 0.856 4.817 3.960 0.001 0.000 0.296 680 G HA3 0.856 4.817 3.960 0.001 0.000 0.296 680 G C -1.960 172.641 174.900 -0.497 0.000 1.334 680 G CA -0.192 44.814 45.100 -0.158 0.000 0.934 680 G HN 0.986 nan 8.290 nan 0.000 0.476 681 A N -0.312 122.060 122.820 -0.745 0.000 2.587 681 A HA 0.749 5.069 4.320 0.001 0.000 0.293 681 A C 0.561 177.924 177.584 -0.368 0.000 1.087 681 A CA 0.225 51.835 52.037 -0.711 0.000 0.692 681 A CB 1.444 19.637 19.000 -1.345 0.000 1.291 681 A HN 1.670 nan 8.150 nan 0.000 0.407 682 S N -0.299 115.258 115.700 -0.238 0.000 2.540 682 S HA 0.546 5.017 4.470 0.001 0.000 0.218 682 S C 0.717 175.275 174.600 -0.071 0.000 0.977 682 S CA 0.525 58.654 58.200 -0.119 0.000 0.918 682 S CB -0.060 63.083 63.200 -0.095 0.000 0.806 682 S HN 2.223 nan 8.310 nan 0.000 0.496 683 G N 0.744 109.492 108.800 -0.088 0.000 2.441 683 G HA2 0.507 4.468 3.960 0.001 0.000 0.294 683 G HA3 0.507 4.468 3.960 0.001 0.000 0.294 683 G C -3.570 171.299 174.900 -0.052 0.000 1.393 683 G CA -1.133 43.947 45.100 -0.033 0.000 0.796 683 G HN -0.038 nan 8.290 nan 0.000 0.494 684 P HA 0.389 nan 4.420 nan 0.000 0.260 684 P C -0.194 176.852 177.300 -0.424 0.000 1.172 684 P CA 0.861 63.834 63.100 -0.211 0.000 0.760 684 P CB 0.975 32.460 31.700 -0.358 0.000 0.773 685 A N 2.909 125.473 122.820 -0.426 0.000 2.589 685 A HA 0.560 4.881 4.320 0.001 0.000 0.296 685 A C -1.140 176.301 177.584 -0.239 0.000 1.062 685 A CA -0.432 51.411 52.037 -0.323 0.000 0.686 685 A CB 0.918 19.833 19.000 -0.141 0.000 1.282 685 A HN 0.499 nan 8.150 nan 0.000 0.404 686 C N 1.365 120.545 119.300 -0.201 0.000 2.355 686 C HA 0.825 5.286 4.460 0.001 0.000 0.332 686 C C -0.018 175.021 174.990 0.081 0.000 1.255 686 C CA -0.479 58.544 59.018 0.008 0.000 1.792 686 C CB 0.433 28.183 27.740 0.017 0.000 2.300 686 C HN 0.680 nan 8.230 nan 0.000 0.515 687 V N 3.277 123.300 119.914 0.181 0.000 2.888 687 V HA 0.668 4.788 4.120 0.001 0.000 0.309 687 V C -0.765 175.444 176.094 0.190 0.000 1.114 687 V CA -0.507 61.903 62.300 0.184 0.000 0.940 687 V CB 1.849 33.817 31.823 0.241 0.000 1.021 687 V HN 0.641 nan 8.190 nan 0.000 0.426 688 V N 4.773 124.776 119.914 0.148 0.000 2.588 688 V HA 0.709 4.829 4.120 0.001 0.000 0.304 688 V C -0.804 175.367 176.094 0.128 0.000 1.042 688 V CA -0.511 61.840 62.300 0.086 0.000 0.877 688 V CB 1.587 33.451 31.823 0.068 0.000 0.996 688 V HN 0.855 nan 8.190 nan 0.000 0.425 689 F N 1.973 121.940 119.950 0.028 0.000 2.588 689 F HA 0.933 5.460 4.527 0.001 0.000 0.314 689 F C -0.431 175.350 175.800 -0.032 0.000 1.069 689 F CA -1.066 56.919 58.000 -0.025 0.000 0.931 689 F CB 2.177 41.139 39.000 -0.063 0.000 1.260 689 F HN 0.388 nan 8.300 nan 0.000 0.465 690 S N 1.535 117.322 115.700 0.146 0.000 2.543 690 S HA 0.489 4.960 4.470 0.001 0.000 0.271 690 S C -1.598 172.922 174.600 -0.133 0.000 1.148 690 S CA -0.811 57.367 58.200 -0.037 0.000 0.914 690 S CB 1.357 64.470 63.200 -0.146 0.000 1.096 690 S HN 1.035 nan 8.310 nan 0.000 0.471 691 R N 3.622 124.045 120.500 -0.128 0.000 2.255 691 R HA 0.396 4.736 4.340 0.001 0.000 0.326 691 R C -1.018 175.121 176.300 -0.268 0.000 0.986 691 R CA -0.450 55.592 56.100 -0.098 0.000 0.847 691 R CB 0.385 30.765 30.300 0.133 0.000 1.111 691 R HN 0.719 nan 8.270 nan 0.000 0.452 692 H N 4.014 123.151 119.070 0.111 0.000 2.661 692 H HA 0.202 4.758 4.556 0.001 0.000 0.290 692 H C 1.089 176.486 175.328 0.115 0.000 1.082 692 H CA 0.320 56.425 56.048 0.096 0.000 1.234 692 H CB 1.582 31.386 29.762 0.069 0.000 1.387 692 H HN 1.043 nan 8.280 nan 0.000 0.476 693 G N 4.514 113.423 108.800 0.183 0.000 2.646 693 G HA2 -0.440 3.521 3.960 0.001 0.000 0.324 693 G HA3 -0.440 3.521 3.960 0.001 0.000 0.324 693 G C 0.951 175.960 174.900 0.182 0.000 1.195 693 G CA 0.729 45.920 45.100 0.152 0.000 0.976 693 G HN 0.673 nan 8.290 nan 0.000 0.546 694 N N 2.388 121.195 118.700 0.179 0.000 2.279 694 N HA 0.235 4.976 4.740 0.001 0.000 0.226 694 N C -0.013 175.711 175.510 0.357 0.000 1.126 694 N CA 0.783 53.953 53.050 0.200 0.000 0.846 694 N CB 0.438 38.987 38.487 0.104 0.000 1.050 694 N HN 0.795 nan 8.380 nan 0.000 0.502 695 E N 0.249 120.665 120.200 0.360 0.000 2.292 695 E HA 0.371 4.722 4.350 0.001 0.000 0.272 695 E C -1.665 174.987 176.600 0.086 0.000 0.881 695 E CA -0.896 55.665 56.400 0.269 0.000 0.754 695 E CB 2.456 32.264 29.700 0.180 0.000 1.201 695 E HN 0.035 nan 8.360 nan 0.000 0.425 696 L N 1.924 122.989 121.223 -0.262 0.000 2.319 696 L HA 0.437 4.778 4.340 0.001 0.000 0.281 696 L C -1.200 175.509 176.870 -0.268 0.000 1.005 696 L CA -0.139 54.403 54.840 -0.496 0.000 0.828 696 L CB 1.671 42.890 42.059 -1.401 0.000 1.227 696 L HN 0.400 nan 8.230 nan 0.000 0.415 697 S N 5.645 121.293 115.700 -0.087 0.000 2.489 697 S HA 0.862 5.333 4.470 0.001 0.000 0.291 697 S C -0.740 173.869 174.600 0.015 0.000 1.151 697 S CA -0.511 57.684 58.200 -0.008 0.000 1.082 697 S CB 1.370 64.628 63.200 0.098 0.000 1.019 697 S HN 0.457 nan 8.310 nan 0.000 0.492 698 L N 1.627 122.854 121.223 0.007 0.000 2.434 698 L HA 0.823 5.163 4.340 0.001 0.000 0.260 698 L C -0.485 176.405 176.870 0.034 0.000 0.983 698 L CA -0.536 54.330 54.840 0.043 0.000 0.820 698 L CB 1.970 44.019 42.059 -0.017 0.000 1.361 698 L HN 0.767 nan 8.230 nan 0.000 0.410 699 A N 2.080 124.934 122.820 0.056 0.000 2.356 699 A HA 0.937 5.257 4.320 0.001 0.000 0.310 699 A C -1.286 176.319 177.584 0.035 0.000 1.075 699 A CA -0.598 51.460 52.037 0.035 0.000 0.746 699 A CB 1.571 20.596 19.000 0.041 0.000 1.221 699 A HN 0.390 nan 8.150 nan 0.000 0.443 700 V N 1.785 121.702 119.914 0.005 0.000 2.709 700 V HA 0.776 4.897 4.120 0.001 0.000 0.308 700 V C 0.093 176.166 176.094 -0.035 0.000 1.062 700 V CA -0.309 61.983 62.300 -0.013 0.000 0.901 700 V CB 1.931 33.732 31.823 -0.037 0.000 1.003 700 V HN 1.216 nan 8.190 nan 0.000 0.425 701 S N 1.873 117.538 115.700 -0.059 0.000 2.599 701 S HA 0.688 5.158 4.470 0.001 0.000 0.294 701 S C -0.890 173.614 174.600 -0.160 0.000 1.094 701 S CA -0.687 57.459 58.200 -0.090 0.000 0.931 701 S CB 2.497 65.652 63.200 -0.074 0.000 1.093 701 S HN 0.711 nan 8.310 nan 0.000 0.488 702 E N 2.234 122.339 120.200 -0.158 0.000 2.103 702 E HA 0.324 4.675 4.350 0.001 0.000 0.254 702 E C -1.980 174.480 176.600 -0.233 0.000 0.940 702 E CA -2.427 53.849 56.400 -0.207 0.000 0.771 702 E CB 1.324 30.944 29.700 -0.133 0.000 1.153 702 E HN 0.527 nan 8.360 nan 0.000 0.428 703 P HA -0.042 nan 4.420 nan 0.000 0.236 703 P C 1.157 178.403 177.300 -0.089 0.000 1.177 703 P CA 0.649 63.563 63.100 -0.310 0.000 0.773 703 P CB 0.038 31.355 31.700 -0.638 0.000 0.878 704 T N -2.907 111.578 114.554 -0.114 0.000 3.007 704 T HA -0.150 4.201 4.350 0.001 0.000 0.270 704 T C 1.243 175.977 174.700 0.057 0.000 1.107 704 T CA 0.659 62.803 62.100 0.075 0.000 1.118 704 T CB -1.112 67.797 68.868 0.068 0.000 0.889 704 T HN 0.226 nan 8.240 nan 0.000 0.506 705 Q N -0.387 119.416 119.800 0.005 0.000 2.439 705 Q HA -0.243 4.098 4.340 0.001 0.000 0.247 705 Q C 0.865 176.878 176.000 0.020 0.000 0.899 705 Q CA 1.425 57.236 55.803 0.013 0.000 1.201 705 Q CB -1.515 27.244 28.738 0.035 0.000 1.608 705 Q HN 0.600 nan 8.270 nan 0.000 0.563 706 K N -0.848 119.562 120.400 0.016 0.000 2.464 706 K HA 0.358 4.678 4.320 0.001 0.000 0.206 706 K C 0.273 176.879 176.600 0.009 0.000 1.186 706 K CA 0.522 56.822 56.287 0.022 0.000 0.990 706 K CB 1.031 33.555 32.500 0.040 0.000 1.003 706 K HN 0.237 nan 8.250 nan 0.000 0.562 707 A N 0.824 123.639 122.820 -0.009 0.000 2.331 707 A HA 0.530 4.850 4.320 0.001 0.000 0.283 707 A C 1.042 178.614 177.584 -0.020 0.000 1.142 707 A CA 0.060 52.087 52.037 -0.016 0.000 0.812 707 A CB 0.794 19.774 19.000 -0.034 0.000 1.074 707 A HN 0.262 nan 8.150 nan 0.000 0.497 708 A N 2.353 125.165 122.820 -0.014 0.000 1.968 708 A HA 0.436 4.756 4.320 0.001 0.000 0.217 708 A C 1.201 178.770 177.584 -0.024 0.000 1.169 708 A CA 1.648 53.676 52.037 -0.015 0.000 0.638 708 A CB -0.337 18.658 19.000 -0.009 0.000 0.812 708 A HN 1.795 nan 8.150 nan 0.000 0.446 709 G N -2.391 106.391 108.800 -0.031 0.000 2.687 709 G HA2 0.549 4.509 3.960 0.001 0.000 0.291 709 G HA3 0.549 4.509 3.960 0.001 0.000 0.291 709 G C -1.889 172.977 174.900 -0.056 0.000 1.420 709 G CA -0.256 44.820 45.100 -0.041 0.000 0.796 709 G HN 0.800 nan 8.290 nan 0.000 0.485 710 L N -0.393 120.789 121.223 -0.067 0.000 2.565 710 L HA 0.741 5.082 4.340 0.001 0.000 0.261 710 L C -0.881 175.932 176.870 -0.095 0.000 0.932 710 L CA -0.137 54.648 54.840 -0.091 0.000 0.878 710 L CB 2.323 44.315 42.059 -0.112 0.000 1.333 710 L HN 0.587 nan 8.230 nan 0.000 0.409 711 T N 5.589 120.078 114.554 -0.109 0.000 2.809 711 T HA 0.642 4.992 4.350 0.001 0.000 0.284 711 T C -0.363 174.245 174.700 -0.153 0.000 0.992 711 T CA -0.365 61.670 62.100 -0.108 0.000 0.957 711 T CB 0.870 69.690 68.868 -0.080 0.000 0.942 711 T HN 0.468 nan 8.240 nan 0.000 0.439 712 L N 2.246 123.378 121.223 -0.151 0.000 2.375 712 L HA 0.608 4.948 4.340 0.001 0.000 0.268 712 L C 0.437 177.224 176.870 -0.139 0.000 1.058 712 L CA -0.841 53.887 54.840 -0.186 0.000 0.803 712 L CB 1.154 43.107 42.059 -0.176 0.000 1.212 712 L HN 0.500 nan 8.230 nan 0.000 0.451 713 T N 2.699 117.165 114.554 -0.146 0.000 2.833 713 T HA 0.473 4.823 4.350 0.001 0.000 0.297 713 T C -0.124 174.518 174.700 -0.098 0.000 1.015 713 T CA -0.458 61.587 62.100 -0.091 0.000 0.963 713 T CB 0.670 69.494 68.868 -0.073 0.000 0.955 713 T HN 0.250 nan 8.240 nan 0.000 0.449 714 L N 6.598 127.780 121.223 -0.068 0.000 2.380 714 L HA 0.361 4.702 4.340 0.001 0.000 0.273 714 L C -1.587 175.242 176.870 -0.069 0.000 1.138 714 L CA -1.713 53.062 54.840 -0.109 0.000 0.832 714 L CB 0.400 42.446 42.059 -0.023 0.000 1.124 714 L HN 0.348 nan 8.230 nan 0.000 0.454 715 P HA 0.104 nan 4.420 nan 0.000 0.279 715 P C -0.531 176.824 177.300 0.093 0.000 1.276 715 P CA -0.181 62.826 63.100 -0.156 0.000 0.801 715 P CB 0.806 32.195 31.700 -0.518 0.000 1.127 716 E N -1.567 118.704 120.200 0.118 0.000 2.957 716 E HA -0.175 4.175 4.350 0.001 0.000 0.287 716 E C 0.777 177.479 176.600 0.169 0.000 0.976 716 E CA 1.266 57.794 56.400 0.212 0.000 0.907 716 E CB -2.068 27.840 29.700 0.347 0.000 1.456 716 E HN 1.043 nan 8.360 nan 0.000 0.421 717 G N -0.938 107.894 108.800 0.052 0.000 2.548 717 G HA2 -0.218 3.743 3.960 0.001 0.000 0.208 717 G HA3 -0.218 3.743 3.960 0.001 0.000 0.208 717 G C 0.038 174.782 174.900 -0.260 0.000 1.308 717 G CA -0.006 45.007 45.100 -0.146 0.000 0.924 717 G HN 0.600 nan 8.290 nan 0.000 0.540 718 T N -2.103 112.172 114.554 -0.466 0.000 2.902 718 T HA 0.654 5.004 4.350 0.001 0.000 0.280 718 T C -0.806 173.362 174.700 -0.887 0.000 0.992 718 T CA -0.014 61.833 62.100 -0.422 0.000 1.015 718 T CB 1.748 70.481 68.868 -0.226 0.000 1.044 718 T HN 0.948 nan 8.240 nan 0.000 0.520 719 W N 0.290 121.571 121.300 -0.033 0.000 3.132 719 W HA 0.466 5.126 4.660 0.001 0.000 0.337 719 W C 0.694 177.199 176.519 -0.022 0.000 1.082 719 W CA -0.799 56.529 57.345 -0.028 0.000 1.242 719 W CB 1.772 31.209 29.460 -0.037 0.000 1.354 719 W HN 0.854 nan 8.180 nan 0.000 0.461 720 S N -0.190 115.594 115.700 0.139 0.000 2.506 720 S HA 0.305 4.776 4.470 0.001 0.000 0.219 720 S C 0.434 175.082 174.600 0.081 0.000 1.031 720 S CA 0.178 58.421 58.200 0.071 0.000 0.911 720 S CB 0.175 63.386 63.200 0.017 0.000 0.812 720 S HN 0.298 nan 8.310 nan 0.000 0.497 721 S N 0.291 116.060 115.700 0.114 0.000 2.556 721 S HA 0.692 5.162 4.470 0.001 0.000 0.271 721 S C -1.063 173.592 174.600 0.091 0.000 1.135 721 S CA -0.833 57.418 58.200 0.084 0.000 0.858 721 S CB 1.731 64.970 63.200 0.065 0.000 1.114 721 S HN 0.072 nan 8.310 nan 0.000 0.468 722 V N 3.066 123.012 119.914 0.054 0.000 2.368 722 V HA 0.258 4.378 4.120 0.001 0.000 0.266 722 V C 0.801 176.914 176.094 0.032 0.000 1.045 722 V CA -0.386 61.934 62.300 0.033 0.000 0.899 722 V CB 0.466 32.299 31.823 0.017 0.000 1.006 722 V HN 0.920 nan 8.190 nan 0.000 0.470 723 L N 3.303 124.546 121.223 0.032 0.000 2.341 723 L HA 0.301 4.641 4.340 0.001 0.000 0.214 723 L C 0.832 177.714 176.870 0.019 0.000 1.115 723 L CA 0.826 55.684 54.840 0.031 0.000 0.820 723 L CB 0.249 42.333 42.059 0.041 0.000 0.944 723 L HN 0.669 nan 8.230 nan 0.000 0.452 724 E N -0.865 119.341 120.200 0.010 0.000 2.531 724 E HA 0.438 4.789 4.350 0.001 0.000 0.323 724 E C -0.509 176.089 176.600 -0.002 0.000 0.908 724 E CA 0.172 56.575 56.400 0.005 0.000 0.792 724 E CB 1.059 30.763 29.700 0.007 0.000 1.360 724 E HN 0.137 nan 8.360 nan 0.000 0.394 725 G N 1.687 110.486 108.800 -0.002 0.000 2.631 725 G HA2 0.236 4.196 3.960 0.001 0.000 0.504 725 G HA3 0.236 4.196 3.960 0.001 0.000 0.504 725 G C -0.673 174.222 174.900 -0.009 0.000 1.306 725 G CA -0.451 44.645 45.100 -0.007 0.000 0.897 725 G HN 0.780 nan 8.290 nan 0.000 0.520 726 A N -0.851 121.961 122.820 -0.013 0.000 2.294 726 A HA 1.226 5.546 4.320 0.001 0.000 0.330 726 A C 0.906 178.477 177.584 -0.021 0.000 1.133 726 A CA 0.710 52.739 52.037 -0.014 0.000 0.836 726 A CB 1.400 20.392 19.000 -0.013 0.000 1.190 726 A HN 2.956 nan 8.150 nan 0.000 0.492 727 G N -0.543 108.246 108.800 -0.019 0.000 2.435 727 G HA2 0.415 4.375 3.960 0.001 0.000 0.603 727 G HA3 0.415 4.375 3.960 0.001 0.000 0.603 727 G C -0.782 174.108 174.900 -0.016 0.000 1.496 727 G CA -0.373 44.713 45.100 -0.024 0.000 0.896 727 G HN 0.997 nan 8.290 nan 0.000 0.657 728 T N 2.934 117.478 114.554 -0.017 0.000 2.756 728 T HA 0.590 4.941 4.350 0.001 0.000 0.290 728 T C 1.135 175.831 174.700 -0.007 0.000 0.985 728 T CA -0.378 61.717 62.100 -0.009 0.000 0.955 728 T CB 0.969 69.831 68.868 -0.010 0.000 0.930 728 T HN 0.557 nan 8.240 nan 0.000 0.451 729 L N 2.250 123.476 121.223 0.005 0.000 2.468 729 L HA 0.691 5.031 4.340 0.001 0.000 0.253 729 L C 1.143 178.019 176.870 0.010 0.000 1.237 729 L CA -0.052 54.797 54.840 0.015 0.000 0.823 729 L CB 0.273 42.354 42.059 0.038 0.000 1.124 729 L HN 0.844 nan 8.230 nan 0.000 0.504 730 G N -0.820 107.989 108.800 0.015 0.000 2.356 730 G HA2 0.438 4.399 3.960 0.001 0.000 0.294 730 G HA3 0.438 4.399 3.960 0.001 0.000 0.294 730 G C -1.644 173.261 174.900 0.009 0.000 1.423 730 G CA -0.545 44.559 45.100 0.007 0.000 0.806 730 G HN 0.392 nan 8.290 nan 0.000 0.527 731 T N 1.196 115.752 114.554 0.002 0.000 2.848 731 T HA 0.575 4.926 4.350 0.001 0.000 0.285 731 T C -0.259 174.438 174.700 -0.004 0.000 0.995 731 T CA -0.422 61.678 62.100 0.000 0.000 0.970 731 T CB 1.685 70.551 68.868 -0.003 0.000 0.976 731 T HN 0.858 nan 8.240 nan 0.000 0.441 732 D N 1.931 122.327 120.400 -0.006 0.000 2.425 732 D HA 0.424 5.065 4.640 0.001 0.000 0.274 732 D C 1.635 177.931 176.300 -0.006 0.000 1.242 732 D CA -0.488 53.507 54.000 -0.008 0.000 1.060 732 D CB 0.025 40.819 40.800 -0.010 0.000 1.112 732 D HN 0.435 nan 8.370 nan 0.000 0.561 733 A N -0.705 122.112 122.820 -0.006 0.000 2.019 733 A HA -0.141 4.180 4.320 0.001 0.000 0.219 733 A C 1.169 178.750 177.584 -0.004 0.000 1.164 733 A CA 1.589 53.623 52.037 -0.004 0.000 0.644 733 A CB -0.547 18.451 19.000 -0.003 0.000 0.805 733 A HN 0.527 nan 8.150 nan 0.000 0.449 734 D N -1.539 118.858 120.400 -0.004 0.000 2.368 734 D HA 0.333 4.973 4.640 0.001 0.000 0.218 734 D C 1.195 177.491 176.300 -0.007 0.000 1.112 734 D CA 0.835 54.833 54.000 -0.004 0.000 0.834 734 D CB 0.038 40.837 40.800 -0.001 0.000 0.953 734 D HN 0.545 nan 8.370 nan 0.000 0.505 735 G N 1.342 110.137 108.800 -0.008 0.000 2.143 735 G HA2 -0.337 3.624 3.960 0.001 0.000 0.249 735 G HA3 -0.337 3.624 3.960 0.001 0.000 0.249 735 G C 0.386 175.278 174.900 -0.013 0.000 0.981 735 G CA -0.287 44.806 45.100 -0.013 0.000 0.665 735 G HN 0.307 nan 8.290 nan 0.000 0.528 736 R N 0.470 120.966 120.500 -0.006 0.000 2.404 736 R HA 0.564 4.904 4.340 0.001 0.000 0.291 736 R C 0.349 176.655 176.300 0.011 0.000 1.025 736 R CA -0.245 55.856 56.100 0.001 0.000 0.991 736 R CB 0.936 31.238 30.300 0.003 0.000 1.053 736 R HN 0.182 nan 8.270 nan 0.000 0.479 737 S N 1.257 116.979 115.700 0.037 0.000 2.549 737 S HA 0.146 4.617 4.470 0.001 0.000 0.279 737 S C 0.121 174.746 174.600 0.042 0.000 1.321 737 S CA -0.354 57.885 58.200 0.065 0.000 1.054 737 S CB 0.925 64.224 63.200 0.165 0.000 0.899 737 S HN 0.645 nan 8.310 nan 0.000 0.497 738 T N 0.636 115.202 114.554 0.020 0.000 2.924 738 T HA 0.734 5.084 4.350 0.001 0.000 0.291 738 T C -0.887 173.802 174.700 -0.018 0.000 1.045 738 T CA -0.884 61.208 62.100 -0.014 0.000 1.015 738 T CB 1.241 70.094 68.868 -0.025 0.000 1.103 738 T HN 0.332 nan 8.240 nan 0.000 0.496 739 L N 1.253 122.447 121.223 -0.048 0.000 2.376 739 L HA 0.637 4.977 4.340 0.001 0.000 0.275 739 L C -0.611 176.223 176.870 -0.060 0.000 0.987 739 L CA -0.085 54.724 54.840 -0.051 0.000 0.828 739 L CB 2.200 44.216 42.059 -0.071 0.000 1.249 739 L HN 0.925 nan 8.230 nan 0.000 0.409 740 T N 5.949 120.475 114.554 -0.046 0.000 2.771 740 T HA 0.660 5.010 4.350 0.001 0.000 0.281 740 T C -0.479 174.194 174.700 -0.044 0.000 0.982 740 T CA -0.220 61.852 62.100 -0.047 0.000 0.978 740 T CB 0.714 69.561 68.868 -0.035 0.000 0.930 740 T HN 0.385 nan 8.240 nan 0.000 0.447 741 L N 2.609 123.802 121.223 -0.050 0.000 2.342 741 L HA 0.536 4.876 4.340 0.001 0.000 0.271 741 L C -0.121 176.725 176.870 -0.040 0.000 1.008 741 L CA -1.109 53.704 54.840 -0.045 0.000 0.818 741 L CB 1.690 43.717 42.059 -0.054 0.000 1.296 741 L HN 0.484 nan 8.230 nan 0.000 0.427 742 D N 0.395 120.776 120.400 -0.032 0.000 2.380 742 D HA 0.153 4.794 4.640 0.001 0.000 0.230 742 D C 0.686 176.968 176.300 -0.029 0.000 1.154 742 D CA -0.270 53.714 54.000 -0.026 0.000 0.859 742 D CB 1.060 41.848 40.800 -0.019 0.000 1.045 742 D HN 0.597 nan 8.370 nan 0.000 0.495 743 T N -0.269 114.264 114.554 -0.034 0.000 3.145 743 T HA 0.104 4.455 4.350 0.001 0.000 0.255 743 T C 0.648 175.332 174.700 -0.027 0.000 1.039 743 T CA -0.462 61.615 62.100 -0.037 0.000 0.928 743 T CB -0.411 68.425 68.868 -0.054 0.000 1.029 743 T HN 0.241 nan 8.240 nan 0.000 0.554 744 T N 2.840 117.383 114.554 -0.019 0.000 2.822 744 T HA 0.372 4.723 4.350 0.001 0.000 0.288 744 T C 1.540 176.236 174.700 -0.006 0.000 0.991 744 T CA 0.972 63.066 62.100 -0.010 0.000 1.176 744 T CB -0.172 68.692 68.868 -0.006 0.000 0.951 744 T HN 0.785 nan 8.240 nan 0.000 0.526 745 G N 2.929 111.729 108.800 -0.000 0.000 2.168 745 G HA2 -0.271 3.689 3.960 0.001 0.000 0.257 745 G HA3 -0.271 3.689 3.960 0.001 0.000 0.257 745 G C 0.840 175.742 174.900 0.004 0.000 0.997 745 G CA 0.268 45.371 45.100 0.006 0.000 0.708 745 G HN 0.727 nan 8.290 nan 0.000 0.520 746 L N 0.095 121.316 121.223 -0.005 0.000 2.376 746 L HA 0.058 4.398 4.340 0.001 0.000 0.219 746 L C 1.867 178.737 176.870 -0.001 0.000 1.133 746 L CA 1.055 55.889 54.840 -0.010 0.000 0.816 746 L CB -0.251 41.794 42.059 -0.024 0.000 0.933 746 L HN 0.431 nan 8.230 nan 0.000 0.449 747 S N 0.042 115.749 115.700 0.011 0.000 3.641 747 S HA -0.203 4.268 4.470 0.001 0.000 0.346 747 S C 1.210 175.818 174.600 0.012 0.000 1.074 747 S CA 0.580 58.797 58.200 0.028 0.000 1.026 747 S CB -1.693 61.541 63.200 0.057 0.000 0.908 747 S HN 0.842 nan 8.310 nan 0.000 0.479 748 G N -0.485 108.312 108.800 -0.006 0.000 2.168 748 G HA2 -0.350 3.610 3.960 0.001 0.000 0.263 748 G HA3 -0.350 3.610 3.960 0.001 0.000 0.263 748 G C -0.007 174.878 174.900 -0.024 0.000 0.977 748 G CA 0.941 46.031 45.100 -0.017 0.000 0.659 748 G HN 0.694 nan 8.290 nan 0.000 0.533 749 K N 0.553 120.939 120.400 -0.023 0.000 2.219 749 K HA 0.503 4.823 4.320 0.001 0.000 0.258 749 K C 0.642 177.222 176.600 -0.034 0.000 1.008 749 K CA 0.131 56.400 56.287 -0.029 0.000 0.928 749 K CB 0.515 32.999 32.500 -0.026 0.000 0.983 749 K HN 0.072 nan 8.250 nan 0.000 0.484 750 T N 2.673 117.207 114.554 -0.033 0.000 2.856 750 T HA 0.180 4.530 4.350 0.001 0.000 0.292 750 T C -0.310 174.375 174.700 -0.024 0.000 0.980 750 T CA -0.471 61.613 62.100 -0.027 0.000 1.091 750 T CB 0.521 69.377 68.868 -0.020 0.000 0.936 750 T HN 0.143 nan 8.240 nan 0.000 0.503 751 K N 3.517 123.903 120.400 -0.024 0.000 2.235 751 K HA 0.488 4.809 4.320 0.001 0.000 0.266 751 K C -0.598 175.994 176.600 -0.014 0.000 0.980 751 K CA -0.507 55.767 56.287 -0.021 0.000 0.849 751 K CB 1.392 33.875 32.500 -0.028 0.000 1.098 751 K HN 0.486 nan 8.250 nan 0.000 0.445 752 L N 4.585 125.802 121.223 -0.010 0.000 2.295 752 L HA 0.563 4.903 4.340 0.001 0.000 0.285 752 L C -0.196 176.668 176.870 -0.011 0.000 1.035 752 L CA -0.807 54.031 54.840 -0.004 0.000 0.806 752 L CB 0.801 42.862 42.059 0.003 0.000 1.214 752 L HN 0.417 nan 8.230 nan 0.000 0.426 753 I N 2.710 123.270 120.570 -0.016 0.000 2.865 753 I HA 0.516 4.686 4.170 0.001 0.000 0.302 753 I C -0.552 175.544 176.117 -0.035 0.000 1.140 753 I CA -0.550 60.732 61.300 -0.029 0.000 1.021 753 I CB 2.271 40.243 38.000 -0.047 0.000 1.233 753 I HN 0.427 nan 8.210 nan 0.000 0.427 754 K N 4.564 124.943 120.400 -0.034 0.000 2.464 754 K HA 0.819 5.140 4.320 0.001 0.000 0.253 754 K C -1.972 174.602 176.600 -0.043 0.000 0.933 754 K CA -0.571 55.692 56.287 -0.039 0.000 0.801 754 K CB 1.985 34.484 32.500 -0.000 0.000 1.271 754 K HN 0.572 nan 8.250 nan 0.000 0.430 755 L N 2.302 123.479 121.223 -0.078 0.000 2.371 755 L HA 0.559 4.900 4.340 0.001 0.000 0.262 755 L C -0.753 176.196 176.870 0.132 0.000 1.006 755 L CA -1.044 53.785 54.840 -0.017 0.000 0.818 755 L CB 2.259 44.232 42.059 -0.142 0.000 1.354 755 L HN 0.525 nan 8.230 nan 0.000 0.415 756 K N 1.763 122.321 120.400 0.264 0.000 2.259 756 K HA 0.468 4.788 4.320 0.001 0.000 0.252 756 K C -0.397 176.451 176.600 0.412 0.000 0.936 756 K CA -0.754 55.730 56.287 0.328 0.000 0.810 756 K CB 2.373 34.974 32.500 0.168 0.000 1.143 756 K HN 0.568 nan 8.250 nan 0.000 0.427 757 R N 0.000 120.672 120.500 0.287 0.000 2.786 757 R HA 0.000 4.340 4.340 0.001 0.000 0.208 757 R CA 0.000 55.994 56.100 -0.176 0.000 0.921 757 R CB 0.000 30.067 30.300 -0.388 0.000 0.687 757 R HN 0.000 nan 8.270 nan 0.000 0.535