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 1rwh_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 0.000 177.355 177.300 0.092 0.000 1.155 4 P CA 0.000 63.056 63.100 -0.073 0.000 0.800 4 P CB 0.000 31.545 31.700 -0.258 0.000 0.726 5 G N 0.120 108.979 108.800 0.099 0.000 3.122 5 G HA2 0.584 4.544 3.960 0.000 0.000 0.180 5 G HA3 0.584 4.544 3.960 0.000 0.000 0.180 5 G C 0.775 175.844 174.900 0.281 0.000 1.279 5 G CA 0.028 45.253 45.100 0.208 0.000 0.987 5 G HN 0.476 nan 8.290 nan 0.000 0.589 6 A N -0.543 122.407 122.820 0.216 0.000 1.917 6 A HA 0.095 4.415 4.320 0.000 0.000 0.219 6 A C 2.675 180.363 177.584 0.173 0.000 1.182 6 A CA 3.097 55.255 52.037 0.202 0.000 0.633 6 A CB -1.027 18.049 19.000 0.128 0.000 0.819 6 A HN 1.359 nan 8.150 nan 0.000 0.448 7 A N -0.662 122.227 122.820 0.116 0.000 1.897 7 A HA -0.044 4.276 4.320 0.000 0.000 0.215 7 A C 1.886 179.512 177.584 0.070 0.000 1.181 7 A CA 1.826 53.912 52.037 0.082 0.000 0.620 7 A CB -0.421 18.612 19.000 0.054 0.000 0.821 7 A HN 0.478 nan 8.150 nan 0.000 0.443 8 E N -0.428 119.797 120.200 0.043 0.000 2.072 8 E HA -0.096 4.254 4.350 0.000 0.000 0.191 8 E C 1.548 178.126 176.600 -0.036 0.000 0.985 8 E CA 1.251 57.631 56.400 -0.034 0.000 0.801 8 E CB -0.495 29.127 29.700 -0.130 0.000 0.750 8 E HN 0.697 nan 8.360 nan 0.000 0.452 9 F N 0.534 120.534 119.950 0.083 0.000 2.186 9 F HA -0.137 4.390 4.527 0.000 0.000 0.299 9 F C 2.299 178.096 175.800 -0.005 0.000 1.090 9 F CA 0.876 58.903 58.000 0.045 0.000 1.307 9 F CB -0.282 38.734 39.000 0.027 0.000 1.019 9 F HN 0.047 nan 8.300 nan 0.000 0.489 10 A N 0.009 122.929 122.820 0.167 0.000 1.902 10 A HA -0.100 4.220 4.320 0.000 0.000 0.217 10 A C 2.358 179.990 177.584 0.080 0.000 1.181 10 A CA 1.637 53.724 52.037 0.082 0.000 0.623 10 A CB -1.209 17.840 19.000 0.082 0.000 0.818 10 A HN 0.314 nan 8.150 nan 0.000 0.443 11 A N -0.373 122.494 122.820 0.078 0.000 1.902 11 A HA -0.013 4.307 4.320 0.000 0.000 0.217 11 A C 2.171 179.808 177.584 0.089 0.000 1.181 11 A CA 1.451 53.531 52.037 0.071 0.000 0.623 11 A CB -0.562 18.469 19.000 0.051 0.000 0.818 11 A HN 0.460 nan 8.150 nan 0.000 0.443 12 L N -1.059 120.217 121.223 0.089 0.000 2.046 12 L HA -0.183 4.157 4.340 0.000 0.000 0.208 12 L C 2.898 179.858 176.870 0.150 0.000 1.077 12 L CA 1.446 56.352 54.840 0.110 0.000 0.747 12 L CB -0.402 41.702 42.059 0.075 0.000 0.896 12 L HN 0.344 nan 8.230 nan 0.000 0.432 13 R N -0.341 120.236 120.500 0.128 0.000 2.081 13 R HA -0.140 4.200 4.340 0.000 0.000 0.235 13 R C 2.120 178.533 176.300 0.190 0.000 1.131 13 R CA 1.383 57.569 56.100 0.143 0.000 0.960 13 R CB -0.441 29.872 30.300 0.023 0.000 0.856 13 R HN 0.420 nan 8.270 nan 0.000 0.436 14 N N 0.691 119.475 118.700 0.139 0.000 2.166 14 N HA -0.191 4.549 4.740 0.000 0.000 0.186 14 N C 1.759 177.355 175.510 0.144 0.000 1.019 14 N CA 1.029 54.158 53.050 0.132 0.000 0.856 14 N CB -0.202 38.344 38.487 0.099 0.000 0.993 14 N HN 0.255 nan 8.380 nan 0.000 0.426 15 R N -0.048 120.549 120.500 0.161 0.000 2.075 15 R HA -0.124 4.217 4.340 0.000 0.000 0.232 15 R C 2.270 178.712 176.300 0.236 0.000 1.126 15 R CA 0.989 57.191 56.100 0.170 0.000 0.963 15 R CB -0.362 30.039 30.300 0.170 0.000 0.858 15 R HN 0.397 nan 8.270 nan 0.000 0.435 16 W N 0.751 122.091 121.300 0.068 0.000 2.358 16 W HA -0.177 4.483 4.660 0.000 0.000 0.303 16 W C 1.540 178.104 176.519 0.075 0.000 1.208 16 W CA 1.262 58.650 57.345 0.071 0.000 1.274 16 W CB -0.026 29.477 29.460 0.071 0.000 1.138 16 W HN -0.021 nan 8.180 nan 0.000 0.515 17 V N 1.205 121.219 119.914 0.166 0.000 2.407 17 V HA -0.315 3.805 4.120 0.000 0.000 0.248 17 V C 1.968 178.057 176.094 -0.008 0.000 1.055 17 V CA 2.316 64.649 62.300 0.055 0.000 1.049 17 V CB -1.046 30.861 31.823 0.140 0.000 0.662 17 V HN 0.016 nan 8.190 nan 0.000 0.455 18 D N -0.289 120.126 120.400 0.024 0.000 2.123 18 D HA -0.189 4.451 4.640 0.000 0.000 0.196 18 D C 2.344 178.616 176.300 -0.047 0.000 0.992 18 D CA 1.323 55.324 54.000 0.001 0.000 0.833 18 D CB -0.235 40.583 40.800 0.029 0.000 0.954 18 D HN 0.511 nan 8.370 nan 0.000 0.455 19 Q N -0.130 119.618 119.800 -0.088 0.000 2.084 19 Q HA -0.081 4.259 4.340 0.000 0.000 0.202 19 Q C 2.460 178.313 176.000 -0.245 0.000 0.978 19 Q CA 0.991 56.702 55.803 -0.153 0.000 0.844 19 Q CB -0.066 28.557 28.738 -0.192 0.000 0.898 19 Q HN 0.492 nan 8.270 nan 0.000 0.426 20 I N -2.284 118.060 120.570 -0.376 0.000 3.419 20 I HA 0.014 4.184 4.170 0.000 0.000 0.286 20 I C 1.810 177.835 176.117 -0.153 0.000 1.268 20 I CA 1.197 62.287 61.300 -0.350 0.000 1.414 20 I CB -0.084 37.595 38.000 -0.535 0.000 1.074 20 I HN 0.043 nan 8.210 nan 0.000 0.457 21 T N -2.809 111.688 114.554 -0.095 0.000 3.023 21 T HA 0.341 4.692 4.350 0.000 0.000 0.249 21 T C 1.699 176.390 174.700 -0.015 0.000 1.050 21 T CA 0.566 62.648 62.100 -0.029 0.000 1.088 21 T CB 0.066 68.936 68.868 0.004 0.000 0.946 21 T HN 0.595 nan 8.240 nan 0.000 0.480 22 G N 3.096 111.883 108.800 -0.023 0.000 2.179 22 G HA2 -0.386 3.575 3.960 0.000 0.000 0.257 22 G HA3 -0.386 3.575 3.960 0.000 0.000 0.257 22 G C 0.979 175.855 174.900 -0.040 0.000 1.010 22 G CA 0.674 45.774 45.100 0.001 0.000 0.736 22 G HN 0.856 nan 8.290 nan 0.000 0.513 23 R N 0.358 120.828 120.500 -0.050 0.000 2.152 23 R HA -0.115 4.225 4.340 0.000 0.000 0.232 23 R C 1.932 178.168 176.300 -0.107 0.000 1.117 23 R CA 1.675 57.722 56.100 -0.088 0.000 0.981 23 R CB -0.546 29.721 30.300 -0.055 0.000 0.870 23 R HN 0.525 nan 8.270 nan 0.000 0.451 24 N N 1.362 120.017 118.700 -0.075 0.000 2.398 24 N HA -0.055 4.685 4.740 0.000 0.000 0.188 24 N C 1.120 176.571 175.510 -0.098 0.000 1.122 24 N CA 0.956 53.963 53.050 -0.073 0.000 0.866 24 N CB 0.786 39.253 38.487 -0.033 0.000 0.970 24 N HN 0.373 nan 8.380 nan 0.000 0.462 25 V N -3.046 116.789 119.914 -0.132 0.000 3.199 25 V HA 0.467 4.587 4.120 0.000 0.000 0.331 25 V C 0.262 176.105 176.094 -0.418 0.000 1.446 25 V CA -0.792 61.411 62.300 -0.163 0.000 1.120 25 V CB -0.627 31.177 31.823 -0.032 0.000 1.051 25 V HN -0.078 nan 8.190 nan 0.000 0.495 26 I N 2.230 122.476 120.570 -0.541 0.000 2.517 26 I HA 0.187 4.358 4.170 0.000 0.000 0.285 26 I C 0.506 176.122 176.117 -0.835 0.000 1.106 26 I CA 0.596 61.287 61.300 -1.014 0.000 1.402 26 I CB 0.762 38.422 38.000 -0.566 0.000 1.399 26 I HN 0.369 nan 8.210 nan 0.000 0.535 27 Q N 5.734 124.891 119.800 -1.072 0.000 2.314 27 Q HA 0.471 4.811 4.340 0.000 0.000 0.257 27 Q C -0.023 175.860 176.000 -0.195 0.000 0.975 27 Q CA -0.714 54.873 55.803 -0.359 0.000 0.933 27 Q CB 1.484 30.178 28.738 -0.073 0.000 1.195 27 Q HN 0.790 nan 8.270 nan 0.000 0.426 28 A N 2.045 124.780 122.820 -0.142 0.000 2.520 28 A HA 0.411 4.731 4.320 0.000 0.000 0.245 28 A C 1.263 178.829 177.584 -0.031 0.000 1.072 28 A CA 0.715 52.700 52.037 -0.087 0.000 0.761 28 A CB -0.339 18.613 19.000 -0.080 0.000 1.004 28 A HN 1.039 nan 8.150 nan 0.000 0.499 29 G N 1.514 110.308 108.800 -0.011 0.000 2.184 29 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 29 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 29 G C 0.143 175.065 174.900 0.038 0.000 0.975 29 G CA 0.444 45.550 45.100 0.009 0.000 0.642 29 G HN 1.064 nan 8.290 nan 0.000 0.536 30 D N 0.951 121.399 120.400 0.081 0.000 2.348 30 D HA 0.285 4.925 4.640 0.000 0.000 0.253 30 D C -0.220 176.145 176.300 0.109 0.000 1.161 30 D CA -1.122 52.957 54.000 0.133 0.000 0.876 30 D CB 1.577 42.554 40.800 0.295 0.000 1.160 30 D HN 0.174 nan 8.370 nan 0.000 0.459 31 P HA -0.076 nan 4.420 nan 0.000 0.219 31 P C 0.622 177.925 177.300 0.005 0.000 1.150 31 P CA 0.717 63.833 63.100 0.025 0.000 0.814 31 P CB 0.591 32.295 31.700 0.006 0.000 0.787 32 D N -0.710 119.672 120.400 -0.030 0.000 2.149 32 D HA -0.055 4.585 4.640 0.000 0.000 0.201 32 D C 2.004 178.206 176.300 -0.165 0.000 0.972 32 D CA 0.862 54.786 54.000 -0.126 0.000 0.835 32 D CB -0.650 40.023 40.800 -0.211 0.000 0.966 32 D HN 0.180 nan 8.370 nan 0.000 0.476 33 F N 1.988 121.922 119.950 -0.027 0.000 2.134 33 F HA -0.164 4.363 4.527 0.001 0.000 0.299 33 F C 2.646 178.426 175.800 -0.033 0.000 1.097 33 F CA 1.042 59.023 58.000 -0.032 0.000 1.264 33 F CB -0.365 38.612 39.000 -0.038 0.000 1.001 33 F HN -0.083 nan 8.300 nan 0.000 0.479 34 A N 0.000 122.905 122.820 0.141 0.000 1.940 34 A HA -0.224 4.097 4.320 0.000 0.000 0.219 34 A C 2.167 179.771 177.584 0.034 0.000 1.176 34 A CA 1.781 53.859 52.037 0.069 0.000 0.631 34 A CB -0.596 18.429 19.000 0.042 0.000 0.814 34 A HN 0.343 nan 8.150 nan 0.000 0.446 35 K N -0.474 119.933 120.400 0.010 0.000 2.057 35 K HA -0.004 4.316 4.320 0.000 0.000 0.206 35 K C 2.313 178.905 176.600 -0.013 0.000 1.050 35 K CA 1.004 57.284 56.287 -0.012 0.000 0.935 35 K CB -0.295 32.185 32.500 -0.033 0.000 0.715 35 K HN 0.439 nan 8.250 nan 0.000 0.439 36 A N 1.563 124.374 122.820 -0.016 0.000 1.933 36 A HA -0.146 4.175 4.320 0.000 0.000 0.218 36 A C 2.039 179.635 177.584 0.020 0.000 1.175 36 A CA 1.180 53.211 52.037 -0.011 0.000 0.628 36 A CB -0.436 18.550 19.000 -0.022 0.000 0.814 36 A HN 0.110 nan 8.150 nan 0.000 0.444 37 I N -0.089 120.507 120.570 0.042 0.000 2.252 37 I HA -0.165 4.005 4.170 0.000 0.000 0.245 37 I C 2.468 178.598 176.117 0.023 0.000 1.102 37 I CA 1.876 63.198 61.300 0.036 0.000 1.385 37 I CB -1.821 36.200 38.000 0.035 0.000 1.064 37 I HN 0.244 nan 8.210 nan 0.000 0.414 38 T N 1.441 116.005 114.554 0.016 0.000 2.720 38 T HA -0.134 4.216 4.350 0.000 0.000 0.268 38 T C 2.067 176.771 174.700 0.006 0.000 1.037 38 T CA 1.639 63.745 62.100 0.010 0.000 1.144 38 T CB -0.240 68.631 68.868 0.004 0.000 0.864 38 T HN 0.465 nan 8.240 nan 0.000 0.444 39 A N 1.078 123.898 122.820 -0.000 0.000 1.902 39 A HA 0.006 4.326 4.320 0.000 0.000 0.217 39 A C 2.246 179.830 177.584 0.001 0.000 1.181 39 A CA 1.296 53.330 52.037 -0.006 0.000 0.623 39 A CB -0.807 18.183 19.000 -0.017 0.000 0.818 39 A HN 0.430 nan 8.150 nan 0.000 0.443 40 L N 0.427 121.656 121.223 0.010 0.000 2.012 40 L HA -0.213 4.128 4.340 0.000 0.000 0.210 40 L C 1.917 178.805 176.870 0.030 0.000 1.073 40 L CA 2.406 57.259 54.840 0.022 0.000 0.748 40 L CB -0.633 41.445 42.059 0.032 0.000 0.891 40 L HN 0.335 nan 8.230 nan 0.000 0.431 41 N N 0.133 118.852 118.700 0.031 0.000 2.120 41 N HA -0.165 4.576 4.740 0.000 0.000 0.188 41 N C 1.597 177.124 175.510 0.027 0.000 1.024 41 N CA 1.464 54.535 53.050 0.036 0.000 0.852 41 N CB -0.663 37.844 38.487 0.032 0.000 1.003 41 N HN 0.445 nan 8.380 nan 0.000 0.424 42 N N 0.903 119.613 118.700 0.015 0.000 2.188 42 N HA -0.126 4.614 4.740 0.000 0.000 0.184 42 N C 1.676 177.187 175.510 0.003 0.000 1.018 42 N CA 0.815 53.870 53.050 0.008 0.000 0.858 42 N CB -0.224 38.263 38.487 -0.000 0.000 0.989 42 N HN 0.217 nan 8.380 nan 0.000 0.426 43 K N 1.467 121.866 120.400 -0.001 0.000 2.057 43 K HA 0.098 4.419 4.320 0.000 0.000 0.206 43 K C 1.772 178.369 176.600 -0.004 0.000 1.050 43 K CA 1.254 57.533 56.287 -0.013 0.000 0.935 43 K CB -0.598 31.892 32.500 -0.018 0.000 0.715 43 K HN 0.079 nan 8.250 nan 0.000 0.439 44 A N 0.599 123.432 122.820 0.021 0.000 1.902 44 A HA -0.050 4.270 4.320 0.000 0.000 0.217 44 A C 2.392 180.004 177.584 0.046 0.000 1.181 44 A CA 2.109 54.172 52.037 0.043 0.000 0.623 44 A CB -1.115 17.927 19.000 0.069 0.000 0.818 44 A HN 0.430 nan 8.150 nan 0.000 0.443 45 A N -0.258 122.585 122.820 0.038 0.000 1.930 45 A HA -0.167 4.154 4.320 0.000 0.000 0.217 45 A C 1.796 179.399 177.584 0.031 0.000 1.175 45 A CA 2.085 54.145 52.037 0.039 0.000 0.627 45 A CB -0.698 18.320 19.000 0.031 0.000 0.815 45 A HN 0.586 nan 8.150 nan 0.000 0.443 46 D N -0.551 119.857 120.400 0.013 0.000 2.097 46 D HA -0.115 4.525 4.640 0.000 0.000 0.195 46 D C 2.121 178.418 176.300 -0.004 0.000 0.989 46 D CA 1.771 55.769 54.000 -0.003 0.000 0.827 46 D CB 0.004 40.788 40.800 -0.026 0.000 0.966 46 D HN 0.336 nan 8.370 nan 0.000 0.456 47 S N -0.563 115.126 115.700 -0.020 0.000 2.368 47 S HA -0.090 4.380 4.470 0.000 0.000 0.225 47 S C 2.053 176.770 174.600 0.196 0.000 1.030 47 S CA 0.623 58.811 58.200 -0.019 0.000 0.999 47 S CB -0.306 62.852 63.200 -0.071 0.000 0.844 47 S HN 0.300 nan 8.310 nan 0.000 0.459 48 L N 1.074 122.384 121.223 0.144 0.000 2.131 48 L HA -0.100 4.240 4.340 0.000 0.000 0.210 48 L C 2.665 179.601 176.870 0.109 0.000 1.092 48 L CA 1.059 55.981 54.840 0.136 0.000 0.759 48 L CB -0.593 41.520 42.059 0.088 0.000 0.903 48 L HN 0.319 nan 8.230 nan 0.000 0.435 49 A N -0.151 122.721 122.820 0.086 0.000 2.067 49 A HA -0.159 4.161 4.320 0.000 0.000 0.219 49 A C 2.112 179.746 177.584 0.083 0.000 1.158 49 A CA 1.308 53.383 52.037 0.064 0.000 0.661 49 A CB -0.213 18.812 19.000 0.043 0.000 0.801 49 A HN 0.340 nan 8.150 nan 0.000 0.452 50 K N -0.596 119.887 120.400 0.138 0.000 2.374 50 K HA 0.322 4.642 4.320 0.000 0.000 0.196 50 K C -0.319 176.441 176.600 0.267 0.000 1.023 50 K CA -0.315 56.084 56.287 0.187 0.000 1.103 50 K CB 0.092 32.688 32.500 0.161 0.000 0.848 50 K HN 0.379 nan 8.250 nan 0.000 0.528 51 L N 2.193 123.524 121.223 0.180 0.000 2.490 51 L HA -0.029 4.311 4.340 0.000 0.000 0.274 51 L C 0.352 177.191 176.870 -0.053 0.000 1.201 51 L CA -0.053 54.769 54.840 -0.031 0.000 0.869 51 L CB 0.222 42.232 42.059 -0.080 0.000 1.123 51 L HN 0.120 nan 8.230 nan 0.000 0.484 52 D N 2.820 123.145 120.400 -0.126 0.000 2.325 52 D HA 0.218 4.858 4.640 0.000 0.000 0.251 52 D C 0.360 176.607 176.300 -0.088 0.000 1.196 52 D CA -0.067 53.886 54.000 -0.079 0.000 0.866 52 D CB 1.778 42.526 40.800 -0.085 0.000 1.101 52 D HN 0.566 nan 8.370 nan 0.000 0.476 53 A N 3.380 126.169 122.820 -0.052 0.000 2.348 53 A HA 0.481 4.801 4.320 0.000 0.000 0.224 53 A C 1.003 178.566 177.584 -0.036 0.000 1.227 53 A CA 0.115 52.124 52.037 -0.046 0.000 0.885 53 A CB 0.044 19.027 19.000 -0.028 0.000 0.933 53 A HN 0.606 nan 8.150 nan 0.000 0.506 54 A N 0.408 123.208 122.820 -0.033 0.000 2.445 54 A HA 0.579 4.899 4.320 0.000 0.000 0.242 54 A C 0.834 178.403 177.584 -0.024 0.000 1.075 54 A CA 0.221 52.245 52.037 -0.022 0.000 0.777 54 A CB -0.139 18.851 19.000 -0.016 0.000 1.013 54 A HN 1.303 nan 8.150 nan 0.000 0.493 55 A N 1.248 124.058 122.820 -0.018 0.000 2.498 55 A HA 0.492 4.812 4.320 0.000 0.000 0.239 55 A C 1.513 179.089 177.584 -0.014 0.000 1.068 55 A CA 0.537 52.565 52.037 -0.016 0.000 0.766 55 A CB -0.685 18.309 19.000 -0.011 0.000 1.003 55 A HN 2.759 nan 8.150 nan 0.000 0.497 56 G N 1.664 110.456 108.800 -0.014 0.000 2.305 56 G HA2 -0.297 3.663 3.960 0.000 0.000 0.287 56 G HA3 -0.297 3.663 3.960 0.000 0.000 0.287 56 G C 0.320 175.213 174.900 -0.012 0.000 1.036 56 G CA 0.602 45.696 45.100 -0.010 0.000 0.887 56 G HN 1.422 nan 8.290 nan 0.000 0.505 57 R N -1.034 119.452 120.500 -0.022 0.000 2.679 57 R HA 0.402 4.743 4.340 0.000 0.000 0.268 57 R C 1.135 177.424 176.300 -0.019 0.000 1.044 57 R CA 0.621 56.705 56.100 -0.026 0.000 1.105 57 R CB 0.169 30.439 30.300 -0.050 0.000 0.989 57 R HN 0.457 nan 8.270 nan 0.000 0.447 58 T N -1.969 112.578 114.554 -0.010 0.000 3.054 58 T HA 0.128 4.478 4.350 0.000 0.000 0.255 58 T C 0.308 175.009 174.700 0.001 0.000 1.035 58 T CA 0.008 62.110 62.100 0.003 0.000 0.941 58 T CB 0.050 68.927 68.868 0.016 0.000 1.026 58 T HN 0.680 nan 8.240 nan 0.000 0.533 59 S N -0.571 115.116 115.700 -0.020 0.000 2.627 59 S HA 0.650 5.120 4.470 0.000 0.000 0.283 59 S C 0.600 175.138 174.600 -0.102 0.000 1.127 59 S CA -0.626 57.555 58.200 -0.032 0.000 0.863 59 S CB 1.782 64.983 63.200 0.002 0.000 1.121 59 S HN -0.101 nan 8.310 nan 0.000 0.479 60 V N -0.147 119.666 119.914 -0.169 0.000 2.500 60 V HA 0.274 4.394 4.120 0.000 0.000 0.243 60 V C -0.147 175.590 176.094 -0.594 0.000 1.039 60 V CA 0.976 63.029 62.300 -0.413 0.000 1.053 60 V CB -0.707 30.788 31.823 -0.546 0.000 0.695 60 V HN 0.750 nan 8.190 nan 0.000 0.463 61 F N 0.215 120.129 119.950 -0.060 0.000 2.469 61 F HA 0.346 4.873 4.527 0.001 0.000 0.332 61 F C 1.598 177.380 175.800 -0.030 0.000 1.103 61 F CA -0.177 57.795 58.000 -0.045 0.000 0.979 61 F CB 1.557 40.528 39.000 -0.049 0.000 1.137 61 F HN -0.062 nan 8.300 nan 0.000 0.463 62 T N -3.217 111.426 114.554 0.149 0.000 2.929 62 T HA -0.181 4.170 4.350 0.000 0.000 0.271 62 T C 0.854 175.601 174.700 0.078 0.000 1.085 62 T CA 1.506 63.654 62.100 0.081 0.000 1.125 62 T CB -0.329 68.573 68.868 0.058 0.000 0.874 62 T HN 0.648 nan 8.240 nan 0.000 0.494 63 D N 0.519 120.977 120.400 0.097 0.000 2.402 63 D HA 0.164 4.805 4.640 0.000 0.000 0.216 63 D C 0.147 176.477 176.300 0.051 0.000 1.128 63 D CA -0.343 53.690 54.000 0.056 0.000 0.833 63 D CB -0.197 40.621 40.800 0.030 0.000 0.971 63 D HN 0.417 nan 8.370 nan 0.000 0.503 64 L N 0.699 121.973 121.223 0.085 0.000 2.404 64 L HA 0.284 4.624 4.340 0.000 0.000 0.272 64 L C -0.291 176.620 176.870 0.069 0.000 0.980 64 L CA -0.806 54.077 54.840 0.071 0.000 0.836 64 L CB 2.198 44.313 42.059 0.093 0.000 1.238 64 L HN -0.140 nan 8.230 nan 0.000 0.408 65 S N 2.769 118.499 115.700 0.049 0.000 2.489 65 S HA 0.383 4.853 4.470 0.000 0.000 0.277 65 S C 1.085 175.715 174.600 0.050 0.000 1.230 65 S CA -0.596 57.633 58.200 0.049 0.000 1.053 65 S CB 0.730 63.959 63.200 0.048 0.000 0.955 65 S HN 0.617 nan 8.310 nan 0.000 0.488 66 L N 4.258 125.514 121.223 0.056 0.000 2.465 66 L HA 0.048 4.388 4.340 0.000 0.000 0.224 66 L C 2.400 179.329 176.870 0.098 0.000 1.145 66 L CA 0.829 55.710 54.840 0.068 0.000 0.834 66 L CB -0.505 41.600 42.059 0.076 0.000 0.944 66 L HN 0.816 nan 8.230 nan 0.000 0.451 67 A N -0.320 122.558 122.820 0.097 0.000 2.238 67 A HA 0.028 4.348 4.320 0.000 0.000 0.208 67 A C 0.767 178.422 177.584 0.118 0.000 1.177 67 A CA 0.353 52.464 52.037 0.123 0.000 0.804 67 A CB -0.114 18.946 19.000 0.101 0.000 0.823 67 A HN 0.218 nan 8.150 nan 0.000 0.482 68 K N 0.558 121.007 120.400 0.082 0.000 2.339 68 K HA 0.256 4.576 4.320 0.000 0.000 0.264 68 K C -0.283 176.334 176.600 0.029 0.000 0.986 68 K CA 0.077 56.405 56.287 0.069 0.000 0.866 68 K CB 1.427 33.956 32.500 0.049 0.000 1.103 68 K HN 0.398 nan 8.250 nan 0.000 0.441 69 D N 2.318 122.739 120.400 0.035 0.000 2.178 69 D HA -0.210 4.431 4.640 0.000 0.000 0.201 69 D C 1.484 177.705 176.300 -0.131 0.000 0.980 69 D CA 1.062 54.994 54.000 -0.112 0.000 0.842 69 D CB 0.129 40.888 40.800 -0.068 0.000 0.948 69 D HN 0.444 nan 8.370 nan 0.000 0.472 70 A N 0.608 123.403 122.820 -0.042 0.000 1.930 70 A HA -0.162 4.158 4.320 0.000 0.000 0.217 70 A C 2.113 179.677 177.584 -0.034 0.000 1.175 70 A CA 1.280 53.298 52.037 -0.031 0.000 0.627 70 A CB -0.500 18.494 19.000 -0.011 0.000 0.815 70 A HN 0.279 nan 8.150 nan 0.000 0.443 71 E N -0.879 119.306 120.200 -0.024 0.000 2.216 71 E HA -0.111 4.239 4.350 0.000 0.000 0.192 71 E C 1.968 178.559 176.600 -0.014 0.000 0.988 71 E CA 0.870 57.261 56.400 -0.014 0.000 0.834 71 E CB -0.235 29.469 29.700 0.007 0.000 0.772 71 E HN 0.751 nan 8.360 nan 0.000 0.479 72 M N 0.927 120.502 119.600 -0.042 0.000 2.086 72 M HA -0.181 4.299 4.480 0.000 0.000 0.261 72 M C 2.153 178.443 176.300 -0.016 0.000 1.067 72 M CA 1.461 56.733 55.300 -0.045 0.000 1.116 72 M CB 0.005 32.505 32.600 -0.167 0.000 1.348 72 M HN -0.015 nan 8.290 nan 0.000 0.407 73 V N 0.532 120.390 119.914 -0.093 0.000 2.287 73 V HA -0.286 3.835 4.120 0.000 0.000 0.248 73 V C 2.314 178.409 176.094 0.002 0.000 1.053 73 V CA 2.475 64.737 62.300 -0.064 0.000 1.027 73 V CB -1.385 30.413 31.823 -0.041 0.000 0.646 73 V HN 0.585 nan 8.190 nan 0.000 0.447 74 T N -0.657 113.885 114.554 -0.020 0.000 2.833 74 T HA -0.191 4.159 4.350 0.000 0.000 0.269 74 T C 1.928 176.587 174.700 -0.068 0.000 1.054 74 T CA 1.889 63.959 62.100 -0.051 0.000 1.135 74 T CB -0.404 68.417 68.868 -0.078 0.000 0.869 74 T HN 0.561 nan 8.240 nan 0.000 0.466 75 T N 1.046 115.594 114.554 -0.010 0.000 2.635 75 T HA -0.132 4.219 4.350 0.000 0.000 0.267 75 T C 1.617 176.313 174.700 -0.008 0.000 1.040 75 T CA 1.416 63.558 62.100 0.069 0.000 1.156 75 T CB -0.540 68.349 68.868 0.035 0.000 0.863 75 T HN 0.468 nan 8.240 nan 0.000 0.430 76 Y N 1.507 121.778 120.300 -0.048 0.000 2.242 76 Y HA -0.139 4.411 4.550 0.000 0.000 0.291 76 Y C 3.101 178.962 175.900 -0.065 0.000 1.137 76 Y CA 1.427 59.472 58.100 -0.092 0.000 1.181 76 Y CB -0.702 37.630 38.460 -0.213 0.000 0.989 76 Y HN 0.360 nan 8.280 nan 0.000 0.527 77 T N -1.960 112.632 114.554 0.064 0.000 2.904 77 T HA -0.115 4.235 4.350 0.000 0.000 0.267 77 T C 1.846 176.539 174.700 -0.012 0.000 1.059 77 T CA 0.950 63.062 62.100 0.021 0.000 1.137 77 T CB -0.228 68.641 68.868 0.001 0.000 0.879 77 T HN 0.244 nan 8.240 nan 0.000 0.467 78 R N 0.678 121.136 120.500 -0.070 0.000 2.092 78 R HA 0.152 4.493 4.340 0.000 0.000 0.231 78 R C 2.530 178.847 176.300 0.029 0.000 1.119 78 R CA 1.254 57.282 56.100 -0.120 0.000 0.970 78 R CB -0.630 29.389 30.300 -0.468 0.000 0.864 78 R HN 0.391 nan 8.270 nan 0.000 0.440 79 L N 0.501 121.776 121.223 0.086 0.000 2.093 79 L HA -0.164 4.176 4.340 0.000 0.000 0.208 79 L C 2.647 179.555 176.870 0.063 0.000 1.085 79 L CA 1.501 56.389 54.840 0.080 0.000 0.755 79 L CB -0.522 41.535 42.059 -0.002 0.000 0.904 79 L HN 0.286 nan 8.230 nan 0.000 0.435 80 S N -1.206 114.535 115.700 0.068 0.000 2.406 80 S HA -0.222 4.248 4.470 0.000 0.000 0.228 80 S C 1.982 176.629 174.600 0.078 0.000 1.020 80 S CA 0.688 58.936 58.200 0.081 0.000 0.965 80 S CB -0.331 62.921 63.200 0.087 0.000 0.798 80 S HN 0.394 nan 8.310 nan 0.000 0.488 81 Q N 1.310 121.143 119.800 0.055 0.000 2.084 81 Q HA -0.010 4.330 4.340 0.000 0.000 0.202 81 Q C 2.194 178.243 176.000 0.082 0.000 0.978 81 Q CA 1.429 57.263 55.803 0.051 0.000 0.844 81 Q CB -0.444 28.304 28.738 0.017 0.000 0.898 81 Q HN 0.664 nan 8.270 nan 0.000 0.426 82 L N 0.145 121.420 121.223 0.086 0.000 2.046 82 L HA -0.175 4.166 4.340 0.000 0.000 0.208 82 L C 2.560 179.527 176.870 0.162 0.000 1.077 82 L CA 1.171 56.080 54.840 0.115 0.000 0.747 82 L CB -0.579 41.543 42.059 0.104 0.000 0.896 82 L HN 0.184 nan 8.230 nan 0.000 0.432 83 A N -0.718 122.184 122.820 0.137 0.000 1.933 83 A HA -0.189 4.131 4.320 0.000 0.000 0.218 83 A C 2.333 180.097 177.584 0.299 0.000 1.175 83 A CA 2.206 54.360 52.037 0.194 0.000 0.628 83 A CB -0.828 18.243 19.000 0.117 0.000 0.814 83 A HN 0.385 nan 8.150 nan 0.000 0.444 84 T N 0.362 115.034 114.554 0.197 0.000 2.708 84 T HA -0.053 4.297 4.350 0.000 0.000 0.266 84 T C 2.251 177.063 174.700 0.187 0.000 1.037 84 T CA 1.684 63.885 62.100 0.168 0.000 1.146 84 T CB -0.480 68.444 68.868 0.093 0.000 0.865 84 T HN 0.603 nan 8.240 nan 0.000 0.435 85 A N 0.518 123.448 122.820 0.182 0.000 1.902 85 A HA -0.130 4.190 4.320 0.000 0.000 0.217 85 A C 2.060 179.798 177.584 0.257 0.000 1.181 85 A CA 1.677 53.823 52.037 0.181 0.000 0.623 85 A CB -1.252 17.839 19.000 0.151 0.000 0.818 85 A HN 0.746 nan 8.150 nan 0.000 0.443 86 W N 0.592 121.952 121.300 0.101 0.000 2.392 86 W HA -0.031 4.629 4.660 0.000 0.000 0.279 86 W C 1.909 178.493 176.519 0.108 0.000 1.225 86 W CA 1.686 59.074 57.345 0.072 0.000 1.233 86 W CB 0.089 29.559 29.460 0.018 0.000 1.122 86 W HN 0.315 nan 8.180 nan 0.000 0.561 87 A N -0.614 122.315 122.820 0.183 0.000 2.308 87 A HA 0.232 4.552 4.320 0.000 0.000 0.217 87 A C 0.533 178.262 177.584 0.241 0.000 1.216 87 A CA 0.542 52.624 52.037 0.076 0.000 0.864 87 A CB -0.432 18.700 19.000 0.221 0.000 0.902 87 A HN 0.020 nan 8.150 nan 0.000 0.499 88 T N 3.091 117.793 114.554 0.247 0.000 2.753 88 T HA 0.428 4.778 4.350 0.000 0.000 0.297 88 T C -2.842 171.689 174.700 -0.283 0.000 0.981 88 T CA -1.164 60.955 62.100 0.031 0.000 0.956 88 T CB 1.225 70.112 68.868 0.032 0.000 0.936 88 T HN 0.027 nan 8.240 nan 0.000 0.463 89 P HA 0.016 nan 4.420 nan 0.000 0.264 89 P C 1.024 177.973 177.300 -0.585 0.000 1.183 89 P CA 0.855 63.233 63.100 -1.204 0.000 0.763 89 P CB 0.274 31.515 31.700 -0.764 0.000 0.807 90 T N -1.191 113.061 114.554 -0.503 0.000 7.679 90 T HA -0.286 4.064 4.350 0.000 0.000 0.300 90 T C 0.477 175.131 174.700 -0.076 0.000 2.098 90 T CA 0.744 62.724 62.100 -0.201 0.000 3.313 90 T CB -2.353 66.420 68.868 -0.158 0.000 1.898 90 T HN 0.667 nan 8.240 nan 0.000 1.144 91 A N 1.027 123.819 122.820 -0.047 0.000 2.466 91 A HA 0.813 5.134 4.320 0.000 0.000 0.238 91 A C 1.976 179.614 177.584 0.091 0.000 1.074 91 A CA 0.822 52.886 52.037 0.045 0.000 0.774 91 A CB -0.124 18.929 19.000 0.088 0.000 1.015 91 A HN 1.632 nan 8.150 nan 0.000 0.498 92 A N 1.179 124.045 122.820 0.077 0.000 1.940 92 A HA -0.050 4.270 4.320 0.000 0.000 0.219 92 A C 1.717 179.365 177.584 0.107 0.000 1.176 92 A CA 2.293 54.377 52.037 0.078 0.000 0.631 92 A CB -0.956 18.080 19.000 0.061 0.000 0.814 92 A HN 1.924 nan 8.150 nan 0.000 0.446 93 V N -4.025 115.968 119.914 0.130 0.000 3.514 93 V HA 0.354 4.474 4.120 0.000 0.000 0.301 93 V C 0.668 176.854 176.094 0.153 0.000 1.346 93 V CA -0.627 61.763 62.300 0.150 0.000 1.156 93 V CB -1.480 30.444 31.823 0.169 0.000 1.029 93 V HN 0.312 nan 8.190 nan 0.000 0.428 94 F N 3.380 123.313 119.950 -0.030 0.000 2.593 94 F HA 0.487 5.014 4.527 0.001 0.000 0.393 94 F C 1.470 177.128 175.800 -0.238 0.000 1.037 94 F CA 0.924 58.822 58.000 -0.170 0.000 1.195 94 F CB 0.005 38.915 39.000 -0.151 0.000 1.034 94 F HN 0.485 nan 8.300 nan 0.000 0.552 95 G N 4.061 112.095 108.800 -1.276 0.000 2.166 95 G HA2 -0.320 3.641 3.960 0.000 0.000 0.260 95 G HA3 -0.320 3.641 3.960 0.000 0.000 0.260 95 G C 0.059 174.861 174.900 -0.164 0.000 0.986 95 G CA 0.285 44.796 45.100 -0.981 0.000 0.683 95 G HN 0.906 nan 8.290 nan 0.000 0.527 96 D N 0.466 120.915 120.400 0.081 0.000 2.339 96 D HA 0.540 5.180 4.640 0.000 0.000 0.256 96 D C 1.521 177.961 176.300 0.234 0.000 1.214 96 D CA 0.409 54.503 54.000 0.156 0.000 0.877 96 D CB 0.947 41.834 40.800 0.146 0.000 1.111 96 D HN 0.294 nan 8.370 nan 0.000 0.478 97 A N 4.086 126.993 122.820 0.145 0.000 1.969 97 A HA -0.038 4.283 4.320 0.000 0.000 0.218 97 A C 2.059 179.671 177.584 0.047 0.000 1.169 97 A CA 1.597 53.698 52.037 0.107 0.000 0.635 97 A CB -0.255 18.785 19.000 0.067 0.000 0.810 97 A HN 0.650 nan 8.150 nan 0.000 0.445 98 A N -0.544 122.304 122.820 0.046 0.000 1.897 98 A HA 0.066 4.386 4.320 0.000 0.000 0.215 98 A C 2.197 179.788 177.584 0.011 0.000 1.181 98 A CA 1.567 53.617 52.037 0.020 0.000 0.620 98 A CB -0.825 18.189 19.000 0.023 0.000 0.821 98 A HN 0.333 nan 8.150 nan 0.000 0.443 99 V N -0.049 119.892 119.914 0.044 0.000 2.295 99 V HA -0.252 3.869 4.120 0.000 0.000 0.246 99 V C 2.497 178.560 176.094 -0.051 0.000 1.049 99 V CA 2.006 64.329 62.300 0.038 0.000 1.024 99 V CB -0.873 31.021 31.823 0.117 0.000 0.648 99 V HN 0.601 nan 8.190 nan 0.000 0.447 100 L N 1.060 122.213 121.223 -0.116 0.000 2.013 100 L HA -0.190 4.150 4.340 0.000 0.000 0.212 100 L C 2.463 179.197 176.870 -0.227 0.000 1.073 100 L CA 2.591 57.209 54.840 -0.370 0.000 0.753 100 L CB -1.062 40.718 42.059 -0.464 0.000 0.890 100 L HN 0.242 nan 8.230 nan 0.000 0.432 101 A N -0.660 122.084 122.820 -0.127 0.000 1.908 101 A HA -0.133 4.188 4.320 0.000 0.000 0.218 101 A C 2.445 179.973 177.584 -0.094 0.000 1.181 101 A CA 2.018 53.998 52.037 -0.095 0.000 0.627 101 A CB -1.209 17.757 19.000 -0.056 0.000 0.818 101 A HN 0.627 nan 8.150 nan 0.000 0.445 102 A N -0.142 122.627 122.820 -0.085 0.000 1.930 102 A HA -0.050 4.270 4.320 0.000 0.000 0.217 102 A C 2.106 179.621 177.584 -0.115 0.000 1.175 102 A CA 1.456 53.438 52.037 -0.091 0.000 0.627 102 A CB -0.575 18.387 19.000 -0.064 0.000 0.815 102 A HN 0.510 nan 8.150 nan 0.000 0.443 103 I N -0.474 120.026 120.570 -0.116 0.000 2.179 103 I HA -0.282 3.888 4.170 0.000 0.000 0.242 103 I C 2.463 178.507 176.117 -0.122 0.000 1.088 103 I CA 1.676 62.905 61.300 -0.118 0.000 1.357 103 I CB -0.313 37.600 38.000 -0.144 0.000 1.051 103 I HN 0.272 nan 8.210 nan 0.000 0.409 104 K N 0.972 121.298 120.400 -0.123 0.000 2.057 104 K HA -0.144 4.176 4.320 0.000 0.000 0.207 104 K C 2.269 178.840 176.600 -0.048 0.000 1.049 104 K CA 1.578 57.823 56.287 -0.071 0.000 0.931 104 K CB -0.322 32.131 32.500 -0.079 0.000 0.714 104 K HN 0.316 nan 8.250 nan 0.000 0.440 105 A N 1.199 123.974 122.820 -0.075 0.000 1.933 105 A HA -0.078 4.243 4.320 0.000 0.000 0.218 105 A C 2.397 179.914 177.584 -0.111 0.000 1.175 105 A CA 1.837 53.830 52.037 -0.074 0.000 0.628 105 A CB -1.090 17.861 19.000 -0.082 0.000 0.814 105 A HN 0.434 nan 8.150 nan 0.000 0.444 106 G N -0.040 108.660 108.800 -0.166 0.000 2.421 106 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 106 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 106 G C 1.542 176.297 174.900 -0.242 0.000 1.171 106 G CA 1.026 45.979 45.100 -0.245 0.000 0.775 106 G HN 0.435 nan 8.290 nan 0.000 0.543 107 L N 0.696 121.800 121.223 -0.197 0.000 2.046 107 L HA -0.060 4.281 4.340 0.000 0.000 0.208 107 L C 3.404 180.197 176.870 -0.128 0.000 1.077 107 L CA 1.044 55.736 54.840 -0.245 0.000 0.747 107 L CB -0.408 41.519 42.059 -0.221 0.000 0.896 107 L HN 0.307 nan 8.230 nan 0.000 0.432 108 A N -0.096 122.747 122.820 0.039 0.000 1.873 108 A HA -0.211 4.110 4.320 0.000 0.000 0.215 108 A C 1.941 179.572 177.584 0.079 0.000 1.186 108 A CA 1.967 54.097 52.037 0.156 0.000 0.616 108 A CB -0.479 18.590 19.000 0.115 0.000 0.823 108 A HN 0.340 nan 8.150 nan 0.000 0.442 109 D N -0.053 120.344 120.400 -0.005 0.000 2.149 109 D HA 0.039 4.680 4.640 0.000 0.000 0.201 109 D C 2.187 178.484 176.300 -0.005 0.000 0.972 109 D CA 1.356 55.348 54.000 -0.013 0.000 0.835 109 D CB -0.430 40.334 40.800 -0.060 0.000 0.966 109 D HN 0.403 nan 8.370 nan 0.000 0.476 110 A N 1.003 123.781 122.820 -0.070 0.000 1.933 110 A HA -0.216 4.104 4.320 0.000 0.000 0.218 110 A C 1.971 179.656 177.584 0.168 0.000 1.175 110 A CA 1.491 53.504 52.037 -0.040 0.000 0.628 110 A CB -0.757 18.024 19.000 -0.366 0.000 0.814 110 A HN 0.287 nan 8.150 nan 0.000 0.444 111 N N -0.719 118.093 118.700 0.187 0.000 2.039 111 N HA -0.160 4.581 4.740 0.000 0.000 0.193 111 N C 1.680 177.327 175.510 0.229 0.000 1.044 111 N CA 2.074 55.300 53.050 0.293 0.000 0.847 111 N CB -0.199 38.504 38.487 0.359 0.000 1.030 111 N HN 0.385 nan 8.380 nan 0.000 0.422 112 T N 1.824 116.476 114.554 0.163 0.000 2.684 112 T HA -0.086 4.265 4.350 0.000 0.000 0.267 112 T C 2.010 176.775 174.700 0.110 0.000 1.036 112 T CA 1.093 63.262 62.100 0.115 0.000 1.148 112 T CB -0.212 68.702 68.868 0.077 0.000 0.863 112 T HN 0.201 nan 8.240 nan 0.000 0.436 113 L N -0.773 120.514 121.223 0.108 0.000 2.217 113 L HA 0.068 4.408 4.340 0.000 0.000 0.211 113 L C 2.486 179.446 176.870 0.149 0.000 1.107 113 L CA 0.682 55.584 54.840 0.102 0.000 0.783 113 L CB -0.139 41.963 42.059 0.073 0.000 0.919 113 L HN 0.478 nan 8.230 nan 0.000 0.442 114 C N -2.777 116.650 119.300 0.213 0.000 3.166 114 C HA 0.124 4.584 4.460 0.000 0.000 0.354 114 C C 0.303 175.544 174.990 0.418 0.000 2.030 114 C CA -0.534 58.664 59.018 0.301 0.000 1.866 114 C CB -0.107 27.804 27.740 0.285 0.000 2.020 114 C HN 0.312 nan 8.230 nan 0.000 0.618 115 Y N 4.787 125.287 120.300 0.332 0.000 2.691 115 Y HA 0.523 5.074 4.550 0.000 0.000 0.338 115 Y C -0.058 176.082 175.900 0.400 0.000 1.148 115 Y CA 0.284 58.632 58.100 0.413 0.000 1.430 115 Y CB -0.520 38.093 38.460 0.255 0.000 1.303 115 Y HN 0.732 nan 8.280 nan 0.000 0.499 116 N N -0.035 118.795 118.700 0.216 0.000 2.774 116 N HA 0.184 4.924 4.740 0.000 0.000 0.264 116 N C -0.311 175.118 175.510 -0.135 0.000 1.415 116 N CA -0.659 52.451 53.050 0.100 0.000 0.815 116 N CB 0.451 38.998 38.487 0.100 0.000 1.514 116 N HN 0.167 nan 8.380 nan 0.000 0.523 117 D N -0.976 119.274 120.400 -0.249 0.000 2.363 117 D HA -0.036 4.604 4.640 0.000 0.000 0.226 117 D C 0.418 176.162 176.300 -0.926 0.000 1.020 117 D CA 0.534 54.163 54.000 -0.618 0.000 0.892 117 D CB -0.046 40.569 40.800 -0.308 0.000 0.900 117 D HN 0.581 nan 8.370 nan 0.000 0.531 118 R N -0.823 119.358 120.500 -0.532 0.000 2.397 118 R HA 0.160 4.500 4.340 0.000 0.000 0.241 118 R C 0.244 176.396 176.300 -0.247 0.000 0.914 118 R CA -0.426 55.454 56.100 -0.367 0.000 1.071 118 R CB 0.464 30.659 30.300 -0.175 0.000 1.116 118 R HN -0.102 nan 8.270 nan 0.000 0.524 119 K N 2.300 122.575 120.400 -0.208 0.000 2.201 119 K HA 0.086 4.406 4.320 0.000 0.000 0.278 119 K C -0.604 176.052 176.600 0.093 0.000 1.027 119 K CA -0.338 55.970 56.287 0.035 0.000 0.909 119 K CB 1.075 33.717 32.500 0.237 0.000 1.062 119 K HN -0.079 nan 8.250 nan 0.000 0.465 120 E N 3.070 123.271 120.200 0.002 0.000 2.331 120 E HA 0.033 4.383 4.350 0.000 0.000 0.272 120 E C -0.764 175.660 176.600 -0.293 0.000 1.036 120 E CA -0.332 56.028 56.400 -0.067 0.000 0.864 120 E CB 0.635 30.296 29.700 -0.065 0.000 1.035 120 E HN 0.613 nan 8.360 nan 0.000 0.408 121 E N 1.627 121.584 120.200 -0.405 0.000 2.413 121 E HA 0.090 4.441 4.350 0.000 0.000 0.263 121 E C -0.873 175.405 176.600 -0.537 0.000 1.015 121 E CA 0.034 55.823 56.400 -1.018 0.000 0.916 121 E CB 1.204 30.491 29.700 -0.688 0.000 0.947 121 E HN 0.189 nan 8.360 nan 0.000 0.440 122 V N 2.586 122.278 119.914 -0.370 0.000 2.577 122 V HA 0.562 4.682 4.120 0.000 0.000 0.303 122 V C 0.549 176.879 176.094 0.394 0.000 1.042 122 V CA 0.140 62.502 62.300 0.103 0.000 0.872 122 V CB 1.034 32.965 31.823 0.180 0.000 0.998 122 V HN 1.038 nan 8.190 nan 0.000 0.423 123 G N 4.830 113.796 108.800 0.276 0.000 2.542 123 G HA2 -0.229 3.731 3.960 0.000 0.000 0.235 123 G HA3 -0.229 3.731 3.960 0.000 0.000 0.235 123 G C -0.111 175.007 174.900 0.363 0.000 1.286 123 G CA 0.073 45.354 45.100 0.300 0.000 0.904 123 G HN 0.966 nan 8.290 nan 0.000 0.577 124 N N 1.974 120.865 118.700 0.318 0.000 2.434 124 N HA 0.061 4.802 4.740 0.000 0.000 0.268 124 N C 1.797 177.527 175.510 0.366 0.000 1.256 124 N CA 0.395 53.607 53.050 0.270 0.000 0.914 124 N CB -0.072 38.502 38.487 0.145 0.000 1.088 124 N HN 0.754 nan 8.380 nan 0.000 0.478 125 W N 3.814 125.338 121.300 0.373 0.000 2.331 125 W HA -0.184 4.476 4.660 0.000 0.000 0.291 125 W C 1.277 178.050 176.519 0.423 0.000 1.214 125 W CA 0.124 57.721 57.345 0.421 0.000 1.228 125 W CB -1.211 28.492 29.460 0.405 0.000 1.135 125 W HN 0.686 nan 8.180 nan 0.000 0.537 126 W N 2.626 123.230 121.300 -1.159 0.000 2.363 126 W HA -0.180 4.480 4.660 0.001 0.000 0.296 126 W C 2.688 178.913 176.519 -0.489 0.000 1.212 126 W CA 3.312 59.918 57.345 -1.232 0.000 1.260 126 W CB -0.493 28.312 29.460 -1.092 0.000 1.131 126 W HN -0.214 nan 8.180 nan 0.000 0.530 127 S N -0.188 115.496 115.700 -0.026 0.000 2.370 127 S HA -0.260 4.211 4.470 0.000 0.000 0.226 127 S C 1.216 175.537 174.600 -0.464 0.000 1.033 127 S CA 1.924 59.988 58.200 -0.227 0.000 1.011 127 S CB -0.852 62.136 63.200 -0.354 0.000 0.852 127 S HN 0.492 nan 8.310 nan 0.000 0.457 128 W N 1.528 122.726 121.300 -0.169 0.000 2.476 128 W HA 0.123 4.784 4.660 0.000 0.000 0.281 128 W C 2.285 178.706 176.519 -0.162 0.000 1.230 128 W CA 0.195 57.397 57.345 -0.238 0.000 1.287 128 W CB -0.090 29.178 29.460 -0.321 0.000 1.108 128 W HN 0.338 nan 8.180 nan 0.000 0.567 129 E N -1.040 119.197 120.200 0.062 0.000 2.372 129 E HA 0.119 4.469 4.350 0.000 0.000 0.201 129 E C 1.732 178.237 176.600 -0.159 0.000 0.938 129 E CA 0.589 57.051 56.400 0.102 0.000 0.944 129 E CB 0.290 30.207 29.700 0.362 0.000 0.937 129 E HN 0.268 nan 8.360 nan 0.000 0.495 130 I N -0.409 119.827 120.570 -0.558 0.000 3.873 130 I HA 0.111 4.281 4.170 0.000 0.000 0.284 130 I C 2.260 177.813 176.117 -0.940 0.000 1.186 130 I CA 0.400 61.200 61.300 -0.833 0.000 1.362 130 I CB 0.124 37.324 38.000 -1.333 0.000 1.432 130 I HN 0.054 nan 8.210 nan 0.000 0.454 131 G N 1.122 109.193 108.800 -1.216 0.000 2.433 131 G HA2 -0.161 3.800 3.960 0.000 0.000 0.216 131 G HA3 -0.161 3.800 3.960 0.000 0.000 0.216 131 G C 1.607 176.217 174.900 -0.483 0.000 1.186 131 G CA 1.126 45.765 45.100 -0.769 0.000 0.779 131 G HN 0.153 nan 8.290 nan 0.000 0.543 132 V N 1.890 121.461 119.914 -0.571 0.000 2.283 132 V HA -0.059 4.062 4.120 0.000 0.000 0.243 132 V C 0.284 176.012 176.094 -0.610 0.000 1.039 132 V CA 1.991 63.829 62.300 -0.770 0.000 1.016 132 V CB -0.959 30.016 31.823 -1.413 0.000 0.650 132 V HN 0.255 nan 8.190 nan 0.000 0.449 133 P HA -0.149 nan 4.420 nan 0.000 0.215 133 P C 1.687 178.887 177.300 -0.166 0.000 1.153 133 P CA 1.478 64.452 63.100 -0.210 0.000 0.853 133 P CB -0.104 31.551 31.700 -0.076 0.000 0.788 134 R N -0.550 119.843 120.500 -0.179 0.000 2.081 134 R HA -0.076 4.264 4.340 0.000 0.000 0.235 134 R C 2.287 178.573 176.300 -0.025 0.000 1.131 134 R CA 1.657 57.710 56.100 -0.078 0.000 0.960 134 R CB -1.078 29.181 30.300 -0.068 0.000 0.856 134 R HN 0.166 nan 8.270 nan 0.000 0.436 135 A N 1.086 123.857 122.820 -0.081 0.000 1.897 135 A HA -0.107 4.213 4.320 0.000 0.000 0.215 135 A C 2.066 179.654 177.584 0.007 0.000 1.181 135 A CA 0.826 52.856 52.037 -0.012 0.000 0.620 135 A CB -0.394 18.600 19.000 -0.011 0.000 0.821 135 A HN 0.221 nan 8.150 nan 0.000 0.443 136 L N -0.122 121.034 121.223 -0.111 0.000 2.093 136 L HA -0.005 4.335 4.340 0.000 0.000 0.208 136 L C 2.587 179.471 176.870 0.023 0.000 1.085 136 L CA 2.070 56.867 54.840 -0.072 0.000 0.755 136 L CB -0.829 41.042 42.059 -0.314 0.000 0.904 136 L HN 0.333 nan 8.230 nan 0.000 0.435 137 A N -0.695 122.135 122.820 0.017 0.000 1.877 137 A HA -0.222 4.098 4.320 0.000 0.000 0.216 137 A C 2.011 179.673 177.584 0.130 0.000 1.186 137 A CA 1.867 53.940 52.037 0.060 0.000 0.620 137 A CB -0.873 18.131 19.000 0.007 0.000 0.822 137 A HN 0.513 nan 8.150 nan 0.000 0.443 138 D N 0.124 120.631 120.400 0.178 0.000 2.104 138 D HA -0.111 4.529 4.640 0.000 0.000 0.194 138 D C 2.268 178.707 176.300 0.231 0.000 0.994 138 D CA 1.724 55.902 54.000 0.297 0.000 0.830 138 D CB -0.537 40.431 40.800 0.280 0.000 0.959 138 D HN 0.417 nan 8.370 nan 0.000 0.452 139 A N 0.673 123.591 122.820 0.163 0.000 1.908 139 A HA -0.195 4.125 4.320 0.000 0.000 0.218 139 A C 2.309 179.986 177.584 0.156 0.000 1.181 139 A CA 1.558 53.678 52.037 0.138 0.000 0.627 139 A CB -0.580 18.478 19.000 0.096 0.000 0.818 139 A HN 0.176 nan 8.150 nan 0.000 0.445 140 M N -0.825 118.880 119.600 0.176 0.000 2.080 140 M HA -0.154 4.327 4.480 0.000 0.000 0.260 140 M C 2.147 178.592 176.300 0.242 0.000 1.068 140 M CA 1.583 57.007 55.300 0.206 0.000 1.109 140 M CB -0.508 32.219 32.600 0.212 0.000 1.342 140 M HN 0.285 nan 8.290 nan 0.000 0.405 141 V N 0.675 120.738 119.914 0.248 0.000 2.307 141 V HA -0.246 3.875 4.120 0.000 0.000 0.245 141 V C 2.295 178.569 176.094 0.299 0.000 1.045 141 V CA 1.540 64.007 62.300 0.279 0.000 1.024 141 V CB -0.632 31.366 31.823 0.291 0.000 0.651 141 V HN 0.442 nan 8.190 nan 0.000 0.449 142 L N -0.576 120.818 121.223 0.286 0.000 2.042 142 L HA -0.168 4.172 4.340 0.000 0.000 0.210 142 L C 1.863 178.926 176.870 0.323 0.000 1.076 142 L CA 1.552 56.570 54.840 0.297 0.000 0.749 142 L CB -0.327 41.892 42.059 0.267 0.000 0.893 142 L HN 0.304 nan 8.230 nan 0.000 0.432 143 L N -1.674 119.674 121.223 0.208 0.000 2.791 143 L HA 0.034 4.375 4.340 0.000 0.000 0.239 143 L C 1.772 178.721 176.870 0.132 0.000 1.203 143 L CA -0.202 54.687 54.840 0.082 0.000 1.002 143 L CB -0.476 41.539 42.059 -0.074 0.000 1.295 143 L HN 0.211 nan 8.230 nan 0.000 0.504 144 H N 1.454 120.601 119.070 0.127 0.000 2.387 144 H HA -0.159 4.397 4.556 0.000 0.000 0.299 144 H C 2.175 177.556 175.328 0.088 0.000 1.099 144 H CA 1.758 57.867 56.048 0.102 0.000 1.315 144 H CB 0.443 30.275 29.762 0.116 0.000 1.380 144 H HN 0.371 nan 8.280 nan 0.000 0.513 145 A N 0.021 122.969 122.820 0.214 0.000 2.172 145 A HA -0.069 4.252 4.320 0.000 0.000 0.216 145 A C 1.758 179.381 177.584 0.064 0.000 1.154 145 A CA 1.443 53.570 52.037 0.149 0.000 0.701 145 A CB 0.003 19.127 19.000 0.207 0.000 0.789 145 A HN 0.507 nan 8.150 nan 0.000 0.465 146 E N -0.883 119.327 120.200 0.017 0.000 2.364 146 E HA 0.225 4.576 4.350 0.000 0.000 0.203 146 E C 0.177 176.732 176.600 -0.076 0.000 0.888 146 E CA -0.070 56.306 56.400 -0.040 0.000 0.989 146 E CB -0.046 29.578 29.700 -0.126 0.000 0.985 146 E HN 0.531 nan 8.360 nan 0.000 0.499 147 L N 2.473 123.642 121.223 -0.091 0.000 2.417 147 L HA 0.137 4.477 4.340 0.000 0.000 0.268 147 L C 0.972 177.764 176.870 -0.131 0.000 1.158 147 L CA -0.413 54.369 54.840 -0.096 0.000 0.819 147 L CB 0.801 42.819 42.059 -0.068 0.000 1.112 147 L HN -0.010 nan 8.230 nan 0.000 0.458 148 S N 1.334 116.960 115.700 -0.122 0.000 2.645 148 S HA 0.389 4.859 4.470 0.000 0.000 0.266 148 S C 1.056 175.566 174.600 -0.149 0.000 1.258 148 S CA -0.203 57.924 58.200 -0.122 0.000 0.990 148 S CB 1.516 64.655 63.200 -0.101 0.000 0.967 148 S HN 0.687 nan 8.310 nan 0.000 0.556 149 A N 1.278 124.024 122.820 -0.123 0.000 1.908 149 A HA 0.092 4.412 4.320 0.000 0.000 0.218 149 A C 2.396 179.902 177.584 -0.130 0.000 1.181 149 A CA 1.979 53.947 52.037 -0.115 0.000 0.627 149 A CB -1.750 17.203 19.000 -0.080 0.000 0.818 149 A HN 1.361 nan 8.150 nan 0.000 0.445 150 A N -0.427 122.317 122.820 -0.126 0.000 1.933 150 A HA -0.169 4.152 4.320 0.000 0.000 0.218 150 A C 1.924 179.372 177.584 -0.227 0.000 1.175 150 A CA 1.682 53.636 52.037 -0.138 0.000 0.628 150 A CB -0.507 18.429 19.000 -0.108 0.000 0.814 150 A HN 0.647 nan 8.150 nan 0.000 0.444 151 E N -0.583 119.442 120.200 -0.293 0.000 2.077 151 E HA -0.182 4.169 4.350 0.000 0.000 0.193 151 E C 2.360 178.554 176.600 -0.677 0.000 0.989 151 E CA 1.081 57.133 56.400 -0.581 0.000 0.800 151 E CB -0.153 29.297 29.700 -0.418 0.000 0.746 151 E HN 0.523 nan 8.360 nan 0.000 0.452 152 R N 0.079 120.384 120.500 -0.325 0.000 2.091 152 R HA -0.110 4.231 4.340 0.000 0.000 0.238 152 R C 2.485 178.705 176.300 -0.133 0.000 1.136 152 R CA 1.723 57.722 56.100 -0.169 0.000 0.959 152 R CB -0.420 29.824 30.300 -0.094 0.000 0.856 152 R HN 0.138 nan 8.270 nan 0.000 0.437 153 T N 0.815 115.283 114.554 -0.143 0.000 2.684 153 T HA -0.198 4.152 4.350 0.000 0.000 0.267 153 T C 1.901 176.556 174.700 -0.075 0.000 1.036 153 T CA 1.598 63.643 62.100 -0.091 0.000 1.148 153 T CB -0.291 68.525 68.868 -0.087 0.000 0.863 153 T HN 0.413 nan 8.240 nan 0.000 0.436 154 A N 0.578 123.310 122.820 -0.146 0.000 1.902 154 A HA -0.085 4.235 4.320 0.000 0.000 0.217 154 A C 2.080 179.751 177.584 0.145 0.000 1.181 154 A CA 1.434 53.436 52.037 -0.058 0.000 0.623 154 A CB -0.846 18.080 19.000 -0.124 0.000 0.818 154 A HN 0.538 nan 8.150 nan 0.000 0.443 155 Y N -0.712 119.637 120.300 0.081 0.000 2.286 155 Y HA -0.090 4.460 4.550 0.001 0.000 0.293 155 Y C 2.856 178.827 175.900 0.117 0.000 1.124 155 Y CA -0.162 58.015 58.100 0.127 0.000 1.178 155 Y CB -1.566 36.963 38.460 0.115 0.000 1.010 155 Y HN 0.364 nan 8.280 nan 0.000 0.536 156 C N 0.038 119.458 119.300 0.201 0.000 2.413 156 C HA -0.149 4.311 4.460 0.000 0.000 0.276 156 C C 3.046 178.105 174.990 0.114 0.000 1.248 156 C CA 1.099 60.193 59.018 0.126 0.000 1.742 156 C CB -1.475 26.299 27.740 0.057 0.000 2.017 156 C HN 0.589 nan 8.230 nan 0.000 0.481 157 A N 0.537 123.411 122.820 0.090 0.000 1.902 157 A HA 0.058 4.379 4.320 0.000 0.000 0.217 157 A C 2.368 180.003 177.584 0.084 0.000 1.181 157 A CA 2.104 54.174 52.037 0.056 0.000 0.623 157 A CB -0.899 18.108 19.000 0.012 0.000 0.818 157 A HN 0.574 nan 8.150 nan 0.000 0.443 158 A N 0.128 123.042 122.820 0.156 0.000 1.865 158 A HA -0.125 4.196 4.320 0.000 0.000 0.217 158 A C 2.138 179.902 177.584 0.300 0.000 1.191 158 A CA 1.602 53.752 52.037 0.188 0.000 0.623 158 A CB -0.681 18.518 19.000 0.333 0.000 0.826 158 A HN 0.497 nan 8.150 nan 0.000 0.444 159 I N -0.012 120.773 120.570 0.359 0.000 2.127 159 I HA -0.281 3.889 4.170 0.000 0.000 0.241 159 I C 1.864 178.117 176.117 0.226 0.000 1.075 159 I CA 1.758 63.263 61.300 0.342 0.000 1.334 159 I CB -0.551 37.584 38.000 0.225 0.000 1.040 159 I HN 0.272 nan 8.210 nan 0.000 0.405 160 D N -0.560 119.922 120.400 0.136 0.000 2.178 160 D HA -0.225 4.415 4.640 0.000 0.000 0.201 160 D C 1.948 178.266 176.300 0.030 0.000 0.980 160 D CA 1.281 55.323 54.000 0.070 0.000 0.842 160 D CB -0.418 40.404 40.800 0.037 0.000 0.948 160 D HN 0.455 nan 8.370 nan 0.000 0.472 161 H N -0.320 118.677 119.070 -0.122 0.000 2.321 161 H HA -0.088 4.469 4.556 0.000 0.000 0.300 161 H C 1.684 176.805 175.328 -0.346 0.000 1.087 161 H CA 1.570 57.429 56.048 -0.314 0.000 1.319 161 H CB -0.473 28.974 29.762 -0.524 0.000 1.379 161 H HN 0.110 nan 8.280 nan 0.000 0.501 162 F N -0.788 119.084 119.950 -0.130 0.000 2.416 162 F HA 0.141 4.668 4.527 0.001 0.000 0.296 162 F C 0.676 176.465 175.800 -0.019 0.000 1.099 162 F CA 0.285 58.211 58.000 -0.124 0.000 1.427 162 F CB 0.729 39.774 39.000 0.074 0.000 1.079 162 F HN -0.040 nan 8.300 nan 0.000 0.536 163 V N 1.816 121.831 119.914 0.167 0.000 2.384 163 V HA 0.157 4.277 4.120 0.000 0.000 0.257 163 V C -1.746 174.386 176.094 0.062 0.000 0.969 163 V CA -0.956 61.420 62.300 0.126 0.000 0.910 163 V CB 0.697 32.608 31.823 0.148 0.000 1.150 163 V HN -0.071 nan 8.190 nan 0.000 0.481 164 P HA 0.019 nan 4.420 nan 0.000 0.223 164 P C 0.173 177.463 177.300 -0.017 0.000 1.151 164 P CA 1.149 64.238 63.100 -0.018 0.000 0.787 164 P CB 0.678 32.347 31.700 -0.052 0.000 0.788 165 D N -0.579 119.832 120.400 0.018 0.000 2.470 165 D HA 0.133 4.774 4.640 0.000 0.000 0.233 165 D C -2.198 174.183 176.300 0.135 0.000 1.372 165 D CA -2.029 52.001 54.000 0.049 0.000 0.994 165 D CB 1.569 42.360 40.800 -0.015 0.000 1.377 165 D HN -0.121 nan 8.370 nan 0.000 0.586 166 P HA -0.004 nan 4.420 nan 0.000 0.234 166 P C 0.870 178.331 177.300 0.268 0.000 1.167 166 P CA 0.260 63.478 63.100 0.197 0.000 0.763 166 P CB 0.068 31.870 31.700 0.170 0.000 0.835 167 W N 0.313 121.601 121.300 -0.020 0.000 2.937 167 W HA 0.187 4.847 4.660 0.001 0.000 0.245 167 W C 1.068 177.538 176.519 -0.081 0.000 1.306 167 W CA 0.265 57.569 57.345 -0.069 0.000 1.470 167 W CB -0.796 28.638 29.460 -0.044 0.000 1.132 167 W HN -0.091 nan 8.180 nan 0.000 0.675 168 L N 0.261 121.565 121.223 0.134 0.000 2.283 168 L HA 0.516 4.856 4.340 0.000 0.000 0.259 168 L C 0.023 176.829 176.870 -0.108 0.000 1.027 168 L CA -1.122 53.708 54.840 -0.017 0.000 0.828 168 L CB 1.957 44.014 42.059 -0.004 0.000 1.380 168 L HN -0.181 nan 8.230 nan 0.000 0.425 169 Q N 0.567 120.190 119.800 -0.295 0.000 2.462 169 Q HA 0.719 5.059 4.340 0.000 0.000 0.285 169 Q C -1.237 174.466 176.000 -0.495 0.000 1.035 169 Q CA -0.818 54.711 55.803 -0.456 0.000 0.799 169 Q CB 2.913 31.107 28.738 -0.907 0.000 1.452 169 Q HN 0.535 nan 8.270 nan 0.000 0.404 170 F N -1.742 118.066 119.950 -0.237 0.000 2.183 170 F HA -0.115 4.412 4.527 0.000 0.000 0.318 170 F C -2.517 173.265 175.800 -0.029 0.000 1.120 170 F CA -0.873 57.023 58.000 -0.172 0.000 0.912 170 F CB -0.648 38.193 39.000 -0.265 0.000 4.134 170 F HN 0.578 nan 8.300 nan 0.000 0.137 171 P HA 0.151 nan 4.420 nan 0.000 0.276 171 P C -2.449 174.870 177.300 0.032 0.000 1.244 171 P CA -1.126 62.023 63.100 0.081 0.000 0.801 171 P CB 0.803 32.528 31.700 0.041 0.000 1.006 172 P HA -0.145 nan 4.420 nan 0.000 0.216 172 P C 1.390 178.678 177.300 -0.020 0.000 1.153 172 P CA 2.071 65.158 63.100 -0.021 0.000 0.858 172 P CB -0.149 31.525 31.700 -0.044 0.000 0.789 173 K N -0.944 119.438 120.400 -0.029 0.000 2.281 173 K HA -0.145 4.175 4.320 0.000 0.000 0.203 173 K C 2.219 178.793 176.600 -0.044 0.000 1.046 173 K CA 0.915 57.181 56.287 -0.035 0.000 0.938 173 K CB -0.150 32.328 32.500 -0.037 0.000 0.737 173 K HN 0.041 nan 8.250 nan 0.000 0.458 174 R N -0.083 120.386 120.500 -0.053 0.000 2.189 174 R HA 0.023 4.363 4.340 0.000 0.000 0.203 174 R C -0.255 176.016 176.300 -0.048 0.000 1.012 174 R CA 0.748 56.787 56.100 -0.102 0.000 1.015 174 R CB 0.603 30.770 30.300 -0.222 0.000 0.938 174 R HN 0.190 nan 8.270 nan 0.000 0.472 175 G N 1.905 110.708 108.800 0.004 0.000 3.322 175 G HA2 -0.182 3.778 3.960 0.000 0.000 0.686 175 G HA3 -0.182 3.778 3.960 0.000 0.000 0.686 175 G C -1.393 173.569 174.900 0.103 0.000 1.015 175 G CA -0.670 44.449 45.100 0.032 0.000 0.826 175 G HN 0.197 nan 8.290 nan 0.000 0.538 176 K N 1.550 121.985 120.400 0.058 0.000 2.172 176 K HA 0.677 4.997 4.320 0.000 0.000 0.276 176 K C 1.056 177.637 176.600 -0.032 0.000 1.013 176 K CA -0.458 55.845 56.287 0.027 0.000 0.913 176 K CB 1.559 34.053 32.500 -0.010 0.000 1.055 176 K HN 0.726 nan 8.250 nan 0.000 0.461 177 I N -1.962 118.510 120.570 -0.163 0.000 2.910 177 I HA 0.371 4.541 4.170 0.000 0.000 0.310 177 I C -0.166 175.817 176.117 -0.224 0.000 1.043 177 I CA -0.927 60.263 61.300 -0.183 0.000 1.053 177 I CB 1.951 39.831 38.000 -0.201 0.000 1.242 177 I HN 0.283 nan 8.210 nan 0.000 0.452 178 T N 3.018 117.484 114.554 -0.148 0.000 2.902 178 T HA 0.124 4.474 4.350 0.000 0.000 0.301 178 T C 0.445 175.025 174.700 -0.200 0.000 1.012 178 T CA -0.070 61.957 62.100 -0.122 0.000 1.151 178 T CB -0.007 68.808 68.868 -0.089 0.000 0.946 178 T HN 0.763 nan 8.240 nan 0.000 0.542 179 S N 2.483 118.078 115.700 -0.175 0.000 2.565 179 S HA 0.589 5.059 4.470 0.000 0.000 0.276 179 S C 0.067 174.579 174.600 -0.146 0.000 1.326 179 S CA -0.914 57.177 58.200 -0.180 0.000 1.045 179 S CB 0.796 63.930 63.200 -0.110 0.000 0.918 179 S HN 0.776 nan 8.310 nan 0.000 0.505 180 V N -0.576 119.271 119.914 -0.113 0.000 3.078 180 V HA 0.948 5.069 4.120 0.000 0.000 0.311 180 V C 0.832 176.908 176.094 -0.031 0.000 1.138 180 V CA -0.093 62.146 62.300 -0.101 0.000 1.007 180 V CB 0.552 32.310 31.823 -0.109 0.000 1.045 180 V HN 1.801 nan 8.190 nan 0.000 0.432 181 G N 2.144 110.940 108.800 -0.007 0.000 2.611 181 G HA2 -0.110 3.850 3.960 0.000 0.000 0.301 181 G HA3 -0.110 3.850 3.960 0.000 0.000 0.301 181 G C 1.193 176.174 174.900 0.135 0.000 1.233 181 G CA 1.614 46.800 45.100 0.143 0.000 0.993 181 G HN 2.338 nan 8.290 nan 0.000 0.553 182 A N -0.486 122.471 122.820 0.228 0.000 1.978 182 A HA -0.108 4.212 4.320 0.000 0.000 0.220 182 A C 2.230 179.928 177.584 0.191 0.000 1.170 182 A CA 2.517 54.678 52.037 0.207 0.000 0.636 182 A CB -0.534 18.673 19.000 0.345 0.000 0.810 182 A HN 0.675 nan 8.150 nan 0.000 0.448 183 N N -0.437 118.384 118.700 0.203 0.000 2.142 183 N HA -0.155 4.585 4.740 0.000 0.000 0.186 183 N C 1.854 177.435 175.510 0.118 0.000 1.023 183 N CA 1.558 54.751 53.050 0.238 0.000 0.852 183 N CB -0.430 38.240 38.487 0.306 0.000 0.998 183 N HN 0.521 nan 8.380 nan 0.000 0.424 184 R N 1.468 121.986 120.500 0.030 0.000 2.091 184 R HA -0.023 4.317 4.340 0.000 0.000 0.238 184 R C 1.936 178.213 176.300 -0.038 0.000 1.136 184 R CA 1.065 57.139 56.100 -0.044 0.000 0.959 184 R CB -0.798 29.417 30.300 -0.142 0.000 0.856 184 R HN -0.001 nan 8.270 nan 0.000 0.437 185 V N 1.130 121.030 119.914 -0.024 0.000 2.261 185 V HA -0.245 3.875 4.120 0.000 0.000 0.246 185 V C 1.837 177.934 176.094 0.005 0.000 1.047 185 V CA 2.307 64.592 62.300 -0.025 0.000 1.015 185 V CB -0.605 31.199 31.823 -0.033 0.000 0.642 185 V HN 0.354 nan 8.190 nan 0.000 0.446 186 D N -0.094 120.328 120.400 0.036 0.000 2.117 186 D HA -0.105 4.536 4.640 0.000 0.000 0.197 186 D C 2.148 178.440 176.300 -0.014 0.000 0.987 186 D CA 1.177 55.188 54.000 0.019 0.000 0.829 186 D CB -0.185 40.638 40.800 0.038 0.000 0.961 186 D HN 0.338 nan 8.370 nan 0.000 0.460 187 L N 0.034 121.266 121.223 0.015 0.000 2.056 187 L HA -0.178 4.163 4.340 0.000 0.000 0.207 187 L C 2.698 179.582 176.870 0.023 0.000 1.078 187 L CA 0.805 55.661 54.840 0.026 0.000 0.749 187 L CB -0.322 41.780 42.059 0.072 0.000 0.901 187 L HN 0.118 nan 8.230 nan 0.000 0.433 188 C N -0.832 118.478 119.300 0.017 0.000 2.425 188 C HA -0.181 4.279 4.460 0.000 0.000 0.277 188 C C 2.863 177.844 174.990 -0.014 0.000 1.280 188 C CA 0.813 59.840 59.018 0.014 0.000 1.744 188 C CB -0.760 26.977 27.740 -0.005 0.000 1.989 188 C HN 0.566 nan 8.230 nan 0.000 0.491 189 Q N 0.930 120.716 119.800 -0.022 0.000 2.020 189 Q HA -0.134 4.206 4.340 0.000 0.000 0.202 189 Q C 2.324 178.275 176.000 -0.083 0.000 0.982 189 Q CA 2.164 57.936 55.803 -0.052 0.000 0.838 189 Q CB -0.523 28.215 28.738 -0.001 0.000 0.899 189 Q HN 0.649 nan 8.270 nan 0.000 0.423 190 G N 1.363 110.131 108.800 -0.053 0.000 2.440 190 G HA2 -0.230 3.731 3.960 0.000 0.000 0.218 190 G HA3 -0.230 3.731 3.960 0.000 0.000 0.218 190 G C 1.406 176.277 174.900 -0.049 0.000 1.154 190 G CA 0.937 46.004 45.100 -0.056 0.000 0.767 190 G HN 0.347 nan 8.290 nan 0.000 0.552 191 I N 0.955 121.511 120.570 -0.024 0.000 2.252 191 I HA -0.042 4.128 4.170 0.000 0.000 0.245 191 I C 2.800 178.883 176.117 -0.057 0.000 1.102 191 I CA 0.639 61.932 61.300 -0.012 0.000 1.385 191 I CB -0.990 37.031 38.000 0.034 0.000 1.064 191 I HN 0.186 nan 8.210 nan 0.000 0.414 192 I N 0.470 120.984 120.570 -0.093 0.000 2.226 192 I HA -0.290 3.881 4.170 0.000 0.000 0.245 192 I C 2.421 178.403 176.117 -0.224 0.000 1.100 192 I CA 1.147 62.354 61.300 -0.155 0.000 1.374 192 I CB -0.201 37.700 38.000 -0.166 0.000 1.057 192 I HN 0.091 nan 8.210 nan 0.000 0.413 193 I N 0.430 120.828 120.570 -0.287 0.000 2.252 193 I HA -0.218 3.952 4.170 0.000 0.000 0.245 193 I C 2.600 178.624 176.117 -0.155 0.000 1.102 193 I CA 1.271 62.361 61.300 -0.350 0.000 1.385 193 I CB -1.462 36.266 38.000 -0.452 0.000 1.064 193 I HN 0.341 nan 8.210 nan 0.000 0.414 194 R N 1.354 121.804 120.500 -0.085 0.000 2.127 194 R HA -0.128 4.213 4.340 0.000 0.000 0.238 194 R C 1.984 178.258 176.300 -0.045 0.000 1.134 194 R CA 1.747 57.832 56.100 -0.025 0.000 0.975 194 R CB -0.270 30.035 30.300 0.007 0.000 0.865 194 R HN 0.264 nan 8.270 nan 0.000 0.447 195 S N 1.051 116.706 115.700 -0.074 0.000 2.453 195 S HA 0.028 4.498 4.470 0.000 0.000 0.231 195 S C 1.941 176.475 174.600 -0.110 0.000 1.005 195 S CA 0.656 58.801 58.200 -0.092 0.000 0.949 195 S CB -0.017 63.133 63.200 -0.084 0.000 0.774 195 S HN 0.289 nan 8.310 nan 0.000 0.510 196 L N 0.980 122.165 121.223 -0.064 0.000 2.072 196 L HA -0.052 4.288 4.340 0.000 0.000 0.205 196 L C 2.825 179.655 176.870 -0.066 0.000 1.079 196 L CA 1.175 56.023 54.840 0.013 0.000 0.752 196 L CB -0.775 41.282 42.059 -0.004 0.000 0.906 196 L HN 0.313 nan 8.230 nan 0.000 0.436 197 A N 0.430 123.238 122.820 -0.021 0.000 1.877 197 A HA -0.104 4.216 4.320 0.000 0.000 0.216 197 A C 2.243 179.860 177.584 0.055 0.000 1.186 197 A CA 1.792 53.884 52.037 0.092 0.000 0.620 197 A CB -1.080 18.005 19.000 0.142 0.000 0.822 197 A HN 0.437 nan 8.150 nan 0.000 0.443 198 G N -1.364 107.402 108.800 -0.056 0.000 2.985 198 G HA2 0.302 4.262 3.960 0.000 0.000 0.209 198 G HA3 0.302 4.262 3.960 0.000 0.000 0.209 198 G C 0.096 174.838 174.900 -0.263 0.000 1.165 198 G CA 0.382 45.420 45.100 -0.104 0.000 0.776 198 G HN 0.595 nan 8.290 nan 0.000 0.541 199 E N 0.669 120.544 120.200 -0.542 0.000 2.240 199 E HA -0.170 4.181 4.350 0.000 0.000 0.194 199 E C -1.024 175.162 176.600 -0.690 0.000 1.385 199 E CA 0.518 56.191 56.400 -1.211 0.000 0.686 199 E CB -0.794 28.374 29.700 -0.887 0.000 1.125 199 E HN 0.366 nan 8.360 nan 0.000 0.359 200 D N 0.676 120.830 120.400 -0.410 0.000 2.458 200 D HA 0.151 4.791 4.640 0.000 0.000 0.258 200 D C -1.476 174.864 176.300 0.066 0.000 1.134 200 D CA -2.281 51.655 54.000 -0.107 0.000 0.915 200 D CB 1.029 41.780 40.800 -0.080 0.000 1.028 200 D HN -0.010 nan 8.370 nan 0.000 0.508 201 P HA -0.084 nan 4.420 nan 0.000 0.221 201 P C 1.296 178.739 177.300 0.237 0.000 1.150 201 P CA 0.762 64.093 63.100 0.385 0.000 0.800 201 P CB 0.454 32.467 31.700 0.521 0.000 0.787 202 T N 0.627 115.266 114.554 0.141 0.000 2.701 202 T HA -0.093 4.258 4.350 0.000 0.000 0.263 202 T C 1.827 176.571 174.700 0.074 0.000 1.040 202 T CA 1.414 63.569 62.100 0.091 0.000 1.147 202 T CB -0.418 68.470 68.868 0.034 0.000 0.865 202 T HN 0.241 nan 8.240 nan 0.000 0.426 203 K N 0.713 121.137 120.400 0.040 0.000 2.097 203 K HA 0.049 4.369 4.320 0.000 0.000 0.206 203 K C 2.292 178.930 176.600 0.063 0.000 1.049 203 K CA 0.829 57.141 56.287 0.042 0.000 0.933 203 K CB -0.365 32.140 32.500 0.009 0.000 0.717 203 K HN 0.224 nan 8.250 nan 0.000 0.442 204 L N 1.409 122.639 121.223 0.011 0.000 1.994 204 L HA -0.234 4.106 4.340 0.000 0.000 0.208 204 L C 1.939 178.827 176.870 0.029 0.000 1.071 204 L CA 1.370 56.162 54.840 -0.080 0.000 0.745 204 L CB -0.289 41.550 42.059 -0.367 0.000 0.892 204 L HN 0.249 nan 8.230 nan 0.000 0.431 205 N N -0.794 117.995 118.700 0.148 0.000 2.104 205 N HA -0.285 4.455 4.740 0.000 0.000 0.190 205 N C 1.793 177.434 175.510 0.218 0.000 1.024 205 N CA 1.752 54.941 53.050 0.232 0.000 0.853 205 N CB -0.529 38.110 38.487 0.253 0.000 1.008 205 N HN 0.501 nan 8.380 nan 0.000 0.424 206 H N 0.601 119.727 119.070 0.093 0.000 2.357 206 H HA 0.124 4.680 4.556 0.001 0.000 0.301 206 H C 1.838 177.335 175.328 0.282 0.000 1.082 206 H CA 1.813 57.920 56.048 0.098 0.000 1.342 206 H CB -0.208 29.495 29.762 -0.097 0.000 1.389 206 H HN 0.208 nan 8.280 nan 0.000 0.511 207 A N -0.023 122.894 122.820 0.162 0.000 1.902 207 A HA -0.104 4.216 4.320 0.000 0.000 0.217 207 A C 2.657 180.293 177.584 0.088 0.000 1.181 207 A CA 1.607 53.717 52.037 0.121 0.000 0.623 207 A CB -0.911 18.137 19.000 0.081 0.000 0.818 207 A HN 0.333 nan 8.150 nan 0.000 0.443 208 V N -0.110 119.863 119.914 0.098 0.000 2.343 208 V HA -0.254 3.867 4.120 0.000 0.000 0.247 208 V C 3.047 179.189 176.094 0.080 0.000 1.051 208 V CA 1.921 64.282 62.300 0.102 0.000 1.036 208 V CB -1.215 30.691 31.823 0.138 0.000 0.654 208 V HN 0.609 nan 8.190 nan 0.000 0.451 209 A N 0.519 123.411 122.820 0.120 0.000 1.972 209 A HA -0.099 4.222 4.320 0.000 0.000 0.219 209 A C 2.359 179.866 177.584 -0.129 0.000 1.169 209 A CA 1.797 53.895 52.037 0.101 0.000 0.635 209 A CB -1.072 18.101 19.000 0.288 0.000 0.810 209 A HN 0.556 nan 8.150 nan 0.000 0.446 210 G N -0.281 108.420 108.800 -0.166 0.000 2.471 210 G HA2 -0.083 3.877 3.960 0.000 0.000 0.219 210 G HA3 -0.083 3.877 3.960 0.000 0.000 0.219 210 G C 1.417 175.952 174.900 -0.608 0.000 1.125 210 G CA 0.845 45.467 45.100 -0.796 0.000 0.775 210 G HN 0.471 nan 8.290 nan 0.000 0.548 211 L N 0.724 121.728 121.223 -0.365 0.000 2.131 211 L HA -0.073 4.268 4.340 0.000 0.000 0.210 211 L C 3.035 179.319 176.870 -0.977 0.000 1.092 211 L CA 0.878 55.471 54.840 -0.411 0.000 0.759 211 L CB -0.366 41.674 42.059 -0.032 0.000 0.903 211 L HN 0.139 nan 8.230 nan 0.000 0.435 212 S N -0.476 114.685 115.700 -0.899 0.000 2.400 212 S HA -0.254 4.216 4.470 0.000 0.000 0.232 212 S C 1.927 175.769 174.600 -1.263 0.000 1.025 212 S CA 1.232 58.697 58.200 -1.225 0.000 0.993 212 S CB -0.185 62.730 63.200 -0.474 0.000 0.808 212 S HN 0.361 nan 8.310 nan 0.000 0.478 213 Q N 1.240 120.522 119.800 -0.863 0.000 2.226 213 Q HA -0.070 4.270 4.340 0.000 0.000 0.204 213 Q C 2.010 177.660 176.000 -0.584 0.000 0.975 213 Q CA 1.317 56.737 55.803 -0.639 0.000 0.866 213 Q CB -0.441 27.976 28.738 -0.536 0.000 0.915 213 Q HN 0.561 nan 8.270 nan 0.000 0.440 214 V N -1.819 117.698 119.914 -0.662 0.000 3.217 214 V HA -0.019 4.101 4.120 0.000 0.000 0.264 214 V C 1.041 177.047 176.094 -0.146 0.000 1.135 214 V CA 1.170 63.271 62.300 -0.332 0.000 1.142 214 V CB -0.979 30.708 31.823 -0.227 0.000 0.754 214 V HN 0.573 nan 8.190 nan 0.000 0.484 215 W N -0.210 121.024 121.300 -0.110 0.000 2.991 215 W HA 0.573 5.234 4.660 0.000 0.000 0.391 215 W C 0.256 176.662 176.519 -0.188 0.000 1.054 215 W CA -1.146 56.136 57.345 -0.105 0.000 1.856 215 W CB -0.554 28.869 29.460 -0.062 0.000 1.132 215 W HN 0.021 nan 8.180 nan 0.000 0.601 216 Q N 1.499 121.207 119.800 -0.153 0.000 2.314 216 Q HA 0.105 4.445 4.340 0.000 0.000 0.258 216 Q C -0.593 175.355 176.000 -0.087 0.000 0.954 216 Q CA -0.616 55.121 55.803 -0.109 0.000 0.890 216 Q CB 0.707 29.359 28.738 -0.143 0.000 1.210 216 Q HN 0.368 nan 8.270 nan 0.000 0.410 217 Y N 0.746 121.055 120.300 0.015 0.000 2.610 217 Y HA 0.114 4.664 4.550 0.000 0.000 0.332 217 Y C 1.009 176.816 175.900 -0.154 0.000 1.201 217 Y CA -0.415 57.658 58.100 -0.045 0.000 1.465 217 Y CB 0.577 39.037 38.460 -0.001 0.000 1.283 217 Y HN 0.352 nan 8.280 nan 0.000 0.563 218 V N -0.454 119.373 119.914 -0.145 0.000 3.019 218 V HA 0.546 4.666 4.120 0.000 0.000 0.317 218 V C 0.257 176.036 176.094 -0.525 0.000 1.094 218 V CA -0.207 61.878 62.300 -0.358 0.000 1.000 218 V CB 1.718 33.247 31.823 -0.489 0.000 1.060 218 V HN 0.845 nan 8.190 nan 0.000 0.443 219 T N -1.814 112.549 114.554 -0.318 0.000 3.040 219 T HA 0.440 4.791 4.350 0.000 0.000 0.266 219 T C 0.555 175.315 174.700 0.101 0.000 1.005 219 T CA 0.514 62.557 62.100 -0.096 0.000 0.906 219 T CB -0.391 68.484 68.868 0.011 0.000 1.082 219 T HN 1.659 nan 8.240 nan 0.000 0.531 220 S N -0.992 114.692 115.700 -0.026 0.000 2.643 220 S HA 0.727 5.197 4.470 0.000 0.000 0.270 220 S C 0.483 175.112 174.600 0.047 0.000 1.166 220 S CA -0.195 58.089 58.200 0.139 0.000 0.815 220 S CB 1.128 64.377 63.200 0.080 0.000 1.139 220 S HN 1.441 nan 8.310 nan 0.000 0.472 221 G N 1.100 109.957 108.800 0.096 0.000 2.552 221 G HA2 -0.092 3.868 3.960 0.000 0.000 0.265 221 G HA3 -0.092 3.868 3.960 0.000 0.000 0.265 221 G C -1.263 173.657 174.900 0.034 0.000 1.234 221 G CA 0.479 45.599 45.100 0.034 0.000 0.944 221 G HN 1.008 nan 8.290 nan 0.000 0.568 222 D N 1.571 121.934 120.400 -0.061 0.000 2.175 222 D HA 0.660 5.301 4.640 0.000 0.000 0.248 222 D C 0.816 176.990 176.300 -0.209 0.000 1.047 222 D CA 1.411 55.324 54.000 -0.144 0.000 0.883 222 D CB 1.015 41.724 40.800 -0.152 0.000 1.180 222 D HN 1.645 nan 8.370 nan 0.000 0.438 223 G N 0.346 108.949 108.800 -0.329 0.000 2.320 223 G HA2 0.039 3.999 3.960 0.000 0.000 0.274 223 G HA3 0.039 3.999 3.960 0.000 0.000 0.274 223 G C -1.291 173.599 174.900 -0.017 0.000 1.324 223 G CA -0.983 44.010 45.100 -0.178 0.000 0.957 223 G HN 0.406 nan 8.290 nan 0.000 0.481 224 I N 0.910 121.598 120.570 0.197 0.000 2.342 224 I HA 0.473 4.643 4.170 0.000 0.000 0.291 224 I C -0.264 176.019 176.117 0.277 0.000 1.010 224 I CA -0.380 61.138 61.300 0.364 0.000 1.308 224 I CB 0.763 38.970 38.000 0.345 0.000 1.400 224 I HN 0.247 nan 8.210 nan 0.000 0.488 225 F N 4.496 124.605 119.950 0.264 0.000 2.378 225 F HA 0.423 4.950 4.527 0.001 0.000 0.325 225 F C 1.640 177.532 175.800 0.155 0.000 1.097 225 F CA -0.602 57.516 58.000 0.196 0.000 1.079 225 F CB 0.729 39.788 39.000 0.099 0.000 1.240 225 F HN 0.339 nan 8.300 nan 0.000 0.519 226 R N 0.263 120.766 120.500 0.006 0.000 2.193 226 R HA -0.126 4.215 4.340 0.000 0.000 0.229 226 R C 1.024 177.297 176.300 -0.045 0.000 1.110 226 R CA 1.375 57.249 56.100 -0.376 0.000 0.988 226 R CB -0.344 29.678 30.300 -0.464 0.000 0.871 226 R HN 0.656 nan 8.270 nan 0.000 0.458 227 D N -1.097 119.371 120.400 0.113 0.000 2.349 227 D HA 0.020 4.660 4.640 0.000 0.000 0.224 227 D C 1.138 177.592 176.300 0.257 0.000 1.029 227 D CA 0.840 54.912 54.000 0.121 0.000 0.879 227 D CB 0.247 41.099 40.800 0.087 0.000 0.906 227 D HN 0.235 nan 8.370 nan 0.000 0.528 228 G N -0.511 108.491 108.800 0.338 0.000 2.195 228 G HA2 -0.278 3.682 3.960 0.000 0.000 0.246 228 G HA3 -0.278 3.682 3.960 0.000 0.000 0.246 228 G C 0.439 175.527 174.900 0.313 0.000 0.984 228 G CA 0.193 45.532 45.100 0.399 0.000 0.633 228 G HN 0.438 nan 8.290 nan 0.000 0.525 229 S N -0.166 115.728 115.700 0.323 0.000 2.573 229 S HA 0.524 4.994 4.470 0.000 0.000 0.277 229 S C -0.420 174.318 174.600 0.231 0.000 1.346 229 S CA 0.478 58.721 58.200 0.072 0.000 1.034 229 S CB 1.068 64.217 63.200 -0.085 0.000 0.879 229 S HN 0.957 nan 8.310 nan 0.000 0.528 230 F N 2.240 122.174 119.950 -0.027 0.000 2.562 230 F HA 0.614 5.141 4.527 0.000 0.000 0.319 230 F C -1.148 174.715 175.800 0.105 0.000 1.154 230 F CA -0.765 57.284 58.000 0.082 0.000 0.931 230 F CB 0.647 39.625 39.000 -0.037 0.000 1.198 230 F HN 0.397 nan 8.300 nan 0.000 0.444 231 I N 5.172 125.442 120.570 -0.499 0.000 2.474 231 I HA 0.438 4.608 4.170 0.000 0.000 0.294 231 I C -0.977 174.805 176.117 -0.558 0.000 1.005 231 I CA -0.842 60.278 61.300 -0.299 0.000 1.113 231 I CB 2.168 40.138 38.000 -0.049 0.000 1.289 231 I HN 0.575 nan 8.210 nan 0.000 0.436 232 Q N 3.566 123.247 119.800 -0.197 0.000 2.394 232 Q HA 0.419 4.759 4.340 0.000 0.000 0.273 232 Q C -0.598 175.376 176.000 -0.043 0.000 1.089 232 Q CA -0.354 55.287 55.803 -0.270 0.000 0.812 232 Q CB 1.178 29.580 28.738 -0.560 0.000 1.353 232 Q HN 0.640 nan 8.270 nan 0.000 0.438 233 H N 1.935 120.947 119.070 -0.097 0.000 2.936 233 H HA -0.237 4.319 4.556 0.000 0.000 0.276 233 H C 0.299 175.658 175.328 0.052 0.000 1.216 233 H CA 0.164 56.216 56.048 0.008 0.000 1.132 233 H CB -1.440 28.399 29.762 0.129 0.000 1.303 233 H HN 0.785 nan 8.280 nan 0.000 0.370 234 S N -2.376 113.398 115.700 0.124 0.000 1.906 234 S HA -0.321 4.149 4.470 0.000 0.000 0.229 234 S C 1.576 176.222 174.600 0.077 0.000 1.003 234 S CA 2.534 60.784 58.200 0.084 0.000 1.559 234 S CB -1.095 62.150 63.200 0.075 0.000 2.023 234 S HN 0.902 nan 8.310 nan 0.000 0.555 235 T N -2.097 112.514 114.554 0.095 0.000 3.111 235 T HA 0.456 4.806 4.350 0.000 0.000 0.284 235 T C -0.025 174.693 174.700 0.030 0.000 0.983 235 T CA 0.376 62.507 62.100 0.051 0.000 0.900 235 T CB 0.884 69.786 68.868 0.056 0.000 1.132 235 T HN 0.296 nan 8.240 nan 0.000 0.531 236 T N 4.360 118.941 114.554 0.046 0.000 2.812 236 T HA 0.529 4.880 4.350 0.000 0.000 0.282 236 T C -3.040 171.591 174.700 -0.115 0.000 0.990 236 T CA -1.473 60.586 62.100 -0.068 0.000 0.960 236 T CB 1.851 70.640 68.868 -0.133 0.000 0.948 236 T HN -0.076 nan 8.240 nan 0.000 0.438 237 P HA 0.171 nan 4.420 nan 0.000 0.266 237 P C -0.733 176.509 177.300 -0.097 0.000 1.215 237 P CA 0.193 63.222 63.100 -0.118 0.000 0.763 237 P CB 0.183 31.804 31.700 -0.132 0.000 0.806 238 Y N 0.701 121.056 120.300 0.092 0.000 2.779 238 Y HA 0.014 4.564 4.550 0.001 0.000 0.251 238 Y C 1.645 177.741 175.900 0.326 0.000 1.145 238 Y CA -0.138 58.099 58.100 0.230 0.000 1.201 238 Y CB 0.480 39.111 38.460 0.284 0.000 1.281 238 Y HN 0.218 nan 8.280 nan 0.000 0.563 239 T N -0.767 113.986 114.554 0.333 0.000 2.721 239 T HA -0.245 4.105 4.350 0.000 0.000 0.268 239 T C 2.031 176.791 174.700 0.100 0.000 1.038 239 T CA 1.819 63.965 62.100 0.078 0.000 1.145 239 T CB -0.394 68.354 68.868 -0.200 0.000 0.858 239 T HN 0.625 nan 8.240 nan 0.000 0.459 240 G N 0.304 109.162 108.800 0.097 0.000 2.712 240 G HA2 0.066 4.026 3.960 0.000 0.000 0.212 240 G HA3 0.066 4.026 3.960 0.000 0.000 0.212 240 G C 1.582 176.509 174.900 0.044 0.000 1.142 240 G CA 1.012 46.136 45.100 0.039 0.000 0.789 240 G HN 0.645 nan 8.290 nan 0.000 0.535 241 S N -1.235 114.529 115.700 0.106 0.000 3.393 241 S HA 0.149 4.619 4.470 0.000 0.000 0.209 241 S C 1.810 176.315 174.600 -0.158 0.000 0.897 241 S CA 0.017 58.182 58.200 -0.059 0.000 0.825 241 S CB -0.480 62.659 63.200 -0.102 0.000 0.898 241 S HN 0.122 nan 8.310 nan 0.000 0.615 242 Y N 2.876 123.101 120.300 -0.126 0.000 2.207 242 Y HA 0.085 4.636 4.550 0.000 0.000 0.287 242 Y C 2.896 178.763 175.900 -0.055 0.000 1.156 242 Y CA 1.194 59.233 58.100 -0.100 0.000 1.182 242 Y CB -0.782 37.569 38.460 -0.181 0.000 0.979 242 Y HN 0.538 nan 8.280 nan 0.000 0.521 243 G N -0.605 108.206 108.800 0.019 0.000 2.422 243 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 243 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 243 G C 1.733 176.638 174.900 0.008 0.000 1.146 243 G CA 1.271 46.136 45.100 -0.391 0.000 0.769 243 G HN 0.285 nan 8.290 nan 0.000 0.547 244 V N 0.515 120.443 119.914 0.024 0.000 2.427 244 V HA -0.154 3.966 4.120 0.000 0.000 0.248 244 V C 3.019 179.043 176.094 -0.117 0.000 1.051 244 V CA 1.328 63.560 62.300 -0.113 0.000 1.048 244 V CB -0.232 31.524 31.823 -0.112 0.000 0.666 244 V HN 0.248 nan 8.190 nan 0.000 0.456 245 V N -0.044 119.827 119.914 -0.071 0.000 2.332 245 V HA -0.300 3.821 4.120 0.000 0.000 0.248 245 V C 2.322 178.399 176.094 -0.028 0.000 1.055 245 V CA 2.367 64.647 62.300 -0.032 0.000 1.038 245 V CB -0.547 31.284 31.823 0.013 0.000 0.651 245 V HN 0.560 nan 8.190 nan 0.000 0.450 246 L N -0.451 120.751 121.223 -0.035 0.000 1.989 246 L HA -0.195 4.145 4.340 0.000 0.000 0.211 246 L C 2.391 179.188 176.870 -0.123 0.000 1.071 246 L CA 1.966 56.766 54.840 -0.067 0.000 0.749 246 L CB -0.317 41.695 42.059 -0.079 0.000 0.890 246 L HN 0.351 nan 8.230 nan 0.000 0.431 247 L N -0.460 120.700 121.223 -0.105 0.000 2.012 247 L HA -0.210 4.130 4.340 0.000 0.000 0.210 247 L C 2.341 179.148 176.870 -0.105 0.000 1.073 247 L CA 2.592 57.368 54.840 -0.107 0.000 0.748 247 L CB -1.036 40.702 42.059 -0.536 0.000 0.891 247 L HN 0.297 nan 8.230 nan 0.000 0.431 248 T N -0.360 114.122 114.554 -0.121 0.000 2.674 248 T HA -0.121 4.229 4.350 0.000 0.000 0.265 248 T C 1.680 176.361 174.700 -0.031 0.000 1.039 248 T CA 1.476 63.533 62.100 -0.071 0.000 1.150 248 T CB -1.028 67.805 68.868 -0.058 0.000 0.864 248 T HN 0.611 nan 8.240 nan 0.000 0.427 249 G N 1.206 109.986 108.800 -0.032 0.000 2.418 249 G HA2 -0.122 3.838 3.960 0.000 0.000 0.217 249 G HA3 -0.122 3.838 3.960 0.000 0.000 0.217 249 G C 1.525 176.399 174.900 -0.042 0.000 1.158 249 G CA 0.480 45.582 45.100 0.003 0.000 0.771 249 G HN 0.439 nan 8.290 nan 0.000 0.545 250 L N 1.526 122.628 121.223 -0.202 0.000 2.083 250 L HA -0.115 4.225 4.340 0.000 0.000 0.209 250 L C 3.363 180.018 176.870 -0.359 0.000 1.083 250 L CA 1.457 56.021 54.840 -0.460 0.000 0.752 250 L CB -0.561 40.873 42.059 -1.040 0.000 0.899 250 L HN 0.458 nan 8.230 nan 0.000 0.433 251 S N 0.209 115.840 115.700 -0.115 0.000 2.359 251 S HA -0.252 4.219 4.470 0.000 0.000 0.224 251 S C 1.943 176.624 174.600 0.135 0.000 1.035 251 S CA 1.267 59.493 58.200 0.044 0.000 1.018 251 S CB -0.327 62.904 63.200 0.052 0.000 0.876 251 S HN 0.391 nan 8.310 nan 0.000 0.448 252 K N 0.986 121.471 120.400 0.142 0.000 2.057 252 K HA 0.163 4.483 4.320 0.000 0.000 0.206 252 K C 2.234 179.065 176.600 0.384 0.000 1.050 252 K CA 1.330 57.774 56.287 0.261 0.000 0.935 252 K CB -0.420 32.261 32.500 0.302 0.000 0.715 252 K HN 0.367 nan 8.250 nan 0.000 0.439 253 L N -0.187 121.218 121.223 0.304 0.000 2.072 253 L HA -0.077 4.264 4.340 0.000 0.000 0.205 253 L C 2.259 179.384 176.870 0.425 0.000 1.079 253 L CA 1.164 56.185 54.840 0.303 0.000 0.752 253 L CB -0.403 41.791 42.059 0.225 0.000 0.906 253 L HN 0.148 nan 8.230 nan 0.000 0.436 254 F N -0.595 119.463 119.950 0.181 0.000 2.134 254 F HA -0.285 4.242 4.527 0.000 0.000 0.299 254 F C 3.001 178.909 175.800 0.180 0.000 1.097 254 F CA 1.104 59.218 58.000 0.190 0.000 1.264 254 F CB -0.238 38.910 39.000 0.247 0.000 1.001 254 F HN 0.090 nan 8.300 nan 0.000 0.479 255 S N 0.613 116.544 115.700 0.385 0.000 2.356 255 S HA -0.201 4.269 4.470 0.000 0.000 0.223 255 S C 1.984 176.730 174.600 0.244 0.000 1.032 255 S CA 1.109 59.469 58.200 0.268 0.000 1.005 255 S CB -0.549 62.786 63.200 0.225 0.000 0.867 255 S HN 0.284 nan 8.310 nan 0.000 0.449 256 L N 1.498 122.900 121.223 0.299 0.000 2.013 256 L HA 0.010 4.350 4.340 0.000 0.000 0.212 256 L C 1.937 178.928 176.870 0.201 0.000 1.073 256 L CA 1.980 56.994 54.840 0.291 0.000 0.753 256 L CB -0.586 41.679 42.059 0.344 0.000 0.890 256 L HN 0.435 nan 8.230 nan 0.000 0.432 257 L N -0.573 120.765 121.223 0.191 0.000 2.509 257 L HA 0.230 4.571 4.340 0.000 0.000 0.222 257 L C 1.316 178.259 176.870 0.121 0.000 1.123 257 L CA 0.068 55.002 54.840 0.157 0.000 0.856 257 L CB -0.915 41.240 42.059 0.161 0.000 0.985 257 L HN 0.367 nan 8.230 nan 0.000 0.456 258 G N -0.459 108.412 108.800 0.118 0.000 2.380 258 G HA2 0.332 4.293 3.960 0.000 0.000 0.242 258 G HA3 0.332 4.293 3.960 0.000 0.000 0.242 258 G C 1.102 176.036 174.900 0.057 0.000 1.298 258 G CA 0.361 45.508 45.100 0.077 0.000 0.878 258 G HN 0.381 nan 8.290 nan 0.000 0.542 259 G N 0.932 109.749 108.800 0.029 0.000 2.184 259 G HA2 -0.147 3.814 3.960 0.000 0.000 0.264 259 G HA3 -0.147 3.814 3.960 0.000 0.000 0.264 259 G C 0.692 175.594 174.900 0.002 0.000 0.975 259 G CA 1.422 46.530 45.100 0.013 0.000 0.642 259 G HN 1.823 nan 8.290 nan 0.000 0.536 260 T N -3.595 110.965 114.554 0.009 0.000 2.937 260 T HA 0.793 5.143 4.350 0.000 0.000 0.283 260 T C 1.657 176.298 174.700 -0.098 0.000 1.012 260 T CA 0.467 62.555 62.100 -0.020 0.000 0.997 260 T CB 1.627 70.527 68.868 0.052 0.000 1.136 260 T HN 1.383 nan 8.240 nan 0.000 0.551 261 A N -0.201 122.474 122.820 -0.242 0.000 2.131 261 A HA 0.117 4.437 4.320 0.000 0.000 0.220 261 A C 1.359 178.610 177.584 -0.554 0.000 1.158 261 A CA 1.045 52.803 52.037 -0.466 0.000 0.665 261 A CB -1.114 17.456 19.000 -0.718 0.000 0.795 261 A HN 0.774 nan 8.150 nan 0.000 0.460 262 F N -0.150 119.771 119.950 -0.049 0.000 2.639 262 F HA 0.204 4.731 4.527 0.000 0.000 0.302 262 F C 0.797 176.593 175.800 -0.007 0.000 1.097 262 F CA -0.358 57.629 58.000 -0.023 0.000 1.294 262 F CB 0.164 39.147 39.000 -0.028 0.000 1.027 262 F HN 0.263 nan 8.300 nan 0.000 0.550 263 E N 1.775 122.029 120.200 0.090 0.000 2.481 263 E HA 0.009 4.359 4.350 0.000 0.000 0.263 263 E C -0.224 176.385 176.600 0.015 0.000 0.992 263 E CA -0.215 56.212 56.400 0.046 0.000 0.938 263 E CB 0.926 30.629 29.700 0.005 0.000 0.933 263 E HN -0.056 nan 8.360 nan 0.000 0.453 264 V N 4.932 124.812 119.914 -0.056 0.000 2.425 264 V HA -0.041 4.079 4.120 0.000 0.000 0.276 264 V C 1.069 177.082 176.094 -0.135 0.000 1.017 264 V CA 0.933 63.160 62.300 -0.121 0.000 1.062 264 V CB 0.646 32.233 31.823 -0.394 0.000 0.997 264 V HN 0.751 nan 8.190 nan 0.000 0.476 265 S N 1.505 117.181 115.700 -0.040 0.000 2.603 265 S HA 0.100 4.571 4.470 0.000 0.000 0.232 265 S C 0.345 174.948 174.600 0.004 0.000 1.016 265 S CA -0.490 57.694 58.200 -0.026 0.000 0.976 265 S CB 0.010 63.208 63.200 -0.004 0.000 0.921 265 S HN 0.715 nan 8.310 nan 0.000 0.516 266 D N 4.203 124.631 120.400 0.046 0.000 2.401 266 D HA 0.153 4.793 4.640 0.000 0.000 0.254 266 D C -1.164 175.163 176.300 0.046 0.000 1.192 266 D CA -1.702 52.363 54.000 0.108 0.000 0.885 266 D CB 1.401 42.371 40.800 0.282 0.000 1.147 266 D HN 0.096 nan 8.370 nan 0.000 0.478 267 P HA -0.114 nan 4.420 nan 0.000 0.223 267 P C 1.052 178.348 177.300 -0.005 0.000 1.151 267 P CA 0.951 64.059 63.100 0.013 0.000 0.787 267 P CB -0.167 31.552 31.700 0.032 0.000 0.788 268 T N -1.508 113.087 114.554 0.068 0.000 3.163 268 T HA -0.092 4.259 4.350 0.000 0.000 0.260 268 T C 1.770 176.364 174.700 -0.178 0.000 1.156 268 T CA 0.185 62.335 62.100 0.085 0.000 1.072 268 T CB -0.908 68.105 68.868 0.243 0.000 0.937 268 T HN 0.268 nan 8.240 nan 0.000 0.528 269 R N 1.895 122.073 120.500 -0.536 0.000 2.293 269 R HA -0.064 4.277 4.340 0.000 0.000 0.219 269 R C 2.237 177.952 176.300 -0.975 0.000 1.091 269 R CA 1.415 56.678 56.100 -1.395 0.000 1.004 269 R CB -0.974 28.529 30.300 -1.330 0.000 0.865 269 R HN 0.570 nan 8.270 nan 0.000 0.469 270 S N 1.378 116.817 115.700 -0.436 0.000 2.420 270 S HA -0.164 4.306 4.470 0.000 0.000 0.237 270 S C 1.943 176.487 174.600 -0.094 0.000 1.023 270 S CA 1.238 59.360 58.200 -0.129 0.000 0.991 270 S CB -0.491 62.736 63.200 0.045 0.000 0.792 270 S HN 0.426 nan 8.310 nan 0.000 0.488 271 I N 0.306 120.778 120.570 -0.163 0.000 2.226 271 I HA -0.085 4.086 4.170 0.000 0.000 0.245 271 I C 2.368 178.474 176.117 -0.019 0.000 1.100 271 I CA 1.534 62.773 61.300 -0.102 0.000 1.374 271 I CB -0.456 37.393 38.000 -0.253 0.000 1.057 271 I HN 0.291 nan 8.210 nan 0.000 0.413 272 F N 1.771 121.554 119.950 -0.278 0.000 2.134 272 F HA -0.226 4.302 4.527 0.001 0.000 0.299 272 F C 2.059 177.868 175.800 0.016 0.000 1.097 272 F CA 1.426 59.332 58.000 -0.157 0.000 1.264 272 F CB -0.531 38.256 39.000 -0.354 0.000 1.001 272 F HN -0.083 nan 8.300 nan 0.000 0.479 273 F N 1.040 120.897 119.950 -0.155 0.000 2.171 273 F HA -0.135 4.393 4.527 0.000 0.000 0.300 273 F C 2.340 178.201 175.800 0.102 0.000 1.090 273 F CA 1.198 59.169 58.000 -0.049 0.000 1.293 273 F CB -1.525 37.588 39.000 0.189 0.000 1.013 273 F HN -0.010 nan 8.300 nan 0.000 0.486 274 D N 0.142 120.703 120.400 0.269 0.000 2.221 274 D HA -0.121 4.519 4.640 0.000 0.000 0.204 274 D C 2.281 178.696 176.300 0.193 0.000 0.982 274 D CA 1.282 55.426 54.000 0.240 0.000 0.857 274 D CB -0.442 40.489 40.800 0.219 0.000 0.934 274 D HN 0.248 nan 8.370 nan 0.000 0.475 275 A N 0.297 123.198 122.820 0.136 0.000 2.119 275 A HA -0.042 4.278 4.320 0.000 0.000 0.217 275 A C 2.403 180.073 177.584 0.144 0.000 1.153 275 A CA 0.432 52.548 52.037 0.131 0.000 0.692 275 A CB -0.337 18.762 19.000 0.164 0.000 0.799 275 A HN 0.110 nan 8.150 nan 0.000 0.458 276 V N 0.246 120.164 119.914 0.007 0.000 2.231 276 V HA -0.297 3.823 4.120 0.000 0.000 0.248 276 V C 2.396 178.505 176.094 0.025 0.000 1.054 276 V CA 2.468 64.674 62.300 -0.157 0.000 1.015 276 V CB -0.659 30.593 31.823 -0.950 0.000 0.638 276 V HN 0.646 nan 8.190 nan 0.000 0.444 277 E N -0.327 119.930 120.200 0.095 0.000 2.250 277 E HA -0.005 4.346 4.350 0.000 0.000 0.192 277 E C 2.241 178.937 176.600 0.161 0.000 0.986 277 E CA 0.813 57.307 56.400 0.156 0.000 0.849 277 E CB -0.176 29.643 29.700 0.198 0.000 0.797 277 E HN 0.646 nan 8.360 nan 0.000 0.482 278 G N 0.288 109.184 108.800 0.161 0.000 2.453 278 G HA2 -0.119 3.841 3.960 0.000 0.000 0.215 278 G HA3 -0.119 3.841 3.960 0.000 0.000 0.215 278 G C 1.590 176.618 174.900 0.212 0.000 1.147 278 G CA 0.475 45.683 45.100 0.180 0.000 0.802 278 G HN 0.100 nan 8.290 nan 0.000 0.535 279 S N -0.670 115.073 115.700 0.072 0.000 2.807 279 S HA 0.273 4.743 4.470 0.000 0.000 0.247 279 S C 1.724 176.139 174.600 -0.309 0.000 1.078 279 S CA -0.227 57.875 58.200 -0.163 0.000 0.867 279 S CB -0.109 62.819 63.200 -0.452 0.000 0.797 279 S HN 0.250 nan 8.310 nan 0.000 0.515 280 F N 2.250 122.172 119.950 -0.047 0.000 2.179 280 F HA 0.261 4.788 4.527 0.000 0.000 0.292 280 F C 2.667 178.400 175.800 -0.111 0.000 1.089 280 F CA 0.743 58.663 58.000 -0.133 0.000 1.295 280 F CB -0.563 38.324 39.000 -0.189 0.000 1.041 280 F HN 0.188 nan 8.300 nan 0.000 0.487 281 A N 0.562 123.503 122.820 0.202 0.000 1.940 281 A HA -0.120 4.200 4.320 0.000 0.000 0.219 281 A C -0.413 177.300 177.584 0.215 0.000 1.176 281 A CA 1.633 53.856 52.037 0.310 0.000 0.631 281 A CB -1.972 17.272 19.000 0.408 0.000 0.814 281 A HN 0.224 nan 8.150 nan 0.000 0.446 282 P HA -0.062 nan 4.420 nan 0.000 0.223 282 P C 1.141 178.471 177.300 0.049 0.000 1.151 282 P CA 1.493 64.682 63.100 0.148 0.000 0.787 282 P CB -0.084 31.783 31.700 0.279 0.000 0.788 283 V N -6.407 113.478 119.914 -0.048 0.000 3.596 283 V HA 0.235 4.355 4.120 0.000 0.000 0.289 283 V C 0.648 176.577 176.094 -0.274 0.000 1.336 283 V CA 0.175 62.369 62.300 -0.175 0.000 1.137 283 V CB -0.834 30.848 31.823 -0.234 0.000 0.966 283 V HN -0.078 nan 8.190 nan 0.000 0.428 284 M N 2.100 121.517 119.600 -0.305 0.000 2.144 284 M HA 0.542 5.022 4.480 0.000 0.000 0.356 284 M C -0.775 175.311 176.300 -0.356 0.000 1.217 284 M CA -0.038 54.930 55.300 -0.554 0.000 1.087 284 M CB 1.259 33.137 32.600 -1.202 0.000 1.609 284 M HN 0.220 nan 8.290 nan 0.000 0.467 285 I N 4.939 125.291 120.570 -0.364 0.000 2.466 285 I HA 0.223 4.393 4.170 0.000 0.000 0.279 285 I C -0.032 176.061 176.117 -0.040 0.000 1.033 285 I CA -0.535 60.650 61.300 -0.192 0.000 1.123 285 I CB 0.997 38.731 38.000 -0.444 0.000 1.237 285 I HN 0.659 nan 8.210 nan 0.000 0.460 286 N N 4.992 123.803 118.700 0.185 0.000 2.710 286 N HA -0.218 4.522 4.740 0.000 0.000 0.249 286 N C 0.975 176.656 175.510 0.285 0.000 1.059 286 N CA 1.403 54.626 53.050 0.288 0.000 0.720 286 N CB -0.800 37.851 38.487 0.273 0.000 0.983 286 N HN 1.184 nan 8.380 nan 0.000 0.544 287 G N -2.623 106.236 108.800 0.098 0.000 2.194 287 G HA2 -0.067 3.893 3.960 0.000 0.000 0.236 287 G HA3 -0.067 3.893 3.960 0.000 0.000 0.236 287 G C 0.076 174.887 174.900 -0.148 0.000 0.987 287 G CA 0.598 45.737 45.100 0.065 0.000 0.635 287 G HN 1.155 nan 8.290 nan 0.000 0.520 288 A N 1.086 123.663 122.820 -0.406 0.000 2.330 288 A HA 0.835 5.155 4.320 0.000 0.000 0.327 288 A C 0.408 177.713 177.584 -0.464 0.000 1.155 288 A CA -0.502 51.146 52.037 -0.647 0.000 0.803 288 A CB 0.737 19.101 19.000 -1.061 0.000 1.208 288 A HN 0.308 nan 8.150 nan 0.000 0.477 289 M N 2.044 121.430 119.600 -0.357 0.000 2.228 289 M HA 0.242 4.723 4.480 0.000 0.000 0.351 289 M C 0.882 177.013 176.300 -0.282 0.000 1.233 289 M CA -0.048 55.075 55.300 -0.295 0.000 1.129 289 M CB 0.443 32.927 32.600 -0.192 0.000 1.604 289 M HN 0.853 nan 8.290 nan 0.000 0.457 290 A N 3.218 125.836 122.820 -0.337 0.000 2.540 290 A HA 0.033 4.353 4.320 0.000 0.000 0.239 290 A C 0.900 178.335 177.584 -0.249 0.000 1.061 290 A CA -0.243 51.571 52.037 -0.371 0.000 0.758 290 A CB -0.020 18.732 19.000 -0.414 0.000 0.991 290 A HN 0.837 nan 8.150 nan 0.000 0.502 291 D N 2.373 122.631 120.400 -0.238 0.000 2.149 291 D HA -0.134 4.506 4.640 0.000 0.000 0.198 291 D C 2.099 178.265 176.300 -0.224 0.000 0.990 291 D CA 1.918 55.816 54.000 -0.170 0.000 0.839 291 D CB -0.236 40.563 40.800 -0.001 0.000 0.948 291 D HN 0.697 nan 8.370 nan 0.000 0.460 292 A N 0.345 122.926 122.820 -0.399 0.000 2.125 292 A HA -0.072 4.248 4.320 0.000 0.000 0.219 292 A C 1.933 179.425 177.584 -0.154 0.000 1.156 292 A CA 1.325 53.242 52.037 -0.201 0.000 0.671 292 A CB -0.223 18.666 19.000 -0.186 0.000 0.794 292 A HN 0.246 nan 8.150 nan 0.000 0.459 293 V N -2.912 116.902 119.914 -0.167 0.000 3.214 293 V HA 0.323 4.444 4.120 0.000 0.000 0.330 293 V C 0.922 176.998 176.094 -0.031 0.000 1.403 293 V CA 0.318 62.543 62.300 -0.124 0.000 1.143 293 V CB -0.750 30.982 31.823 -0.152 0.000 1.098 293 V HN 0.633 nan 8.190 nan 0.000 0.463 294 R N 0.025 120.500 120.500 -0.042 0.000 2.565 294 R HA 0.574 4.915 4.340 0.000 0.000 0.347 294 R C 1.012 177.380 176.300 0.112 0.000 1.010 294 R CA 0.340 56.497 56.100 0.094 0.000 1.126 294 R CB 0.232 30.555 30.300 0.037 0.000 1.331 294 R HN 0.554 nan 8.270 nan 0.000 0.552 295 G N 3.344 112.037 108.800 -0.178 0.000 2.652 295 G HA2 -0.489 3.471 3.960 0.000 0.000 0.318 295 G HA3 -0.489 3.471 3.960 0.000 0.000 0.318 295 G C 0.742 175.645 174.900 0.005 0.000 1.295 295 G CA 1.016 45.961 45.100 -0.258 0.000 0.999 295 G HN 0.566 nan 8.290 nan 0.000 0.548 296 R N 0.466 121.058 120.500 0.155 0.000 2.280 296 R HA 0.144 4.485 4.340 0.000 0.000 0.207 296 R C 2.509 178.830 176.300 0.036 0.000 1.043 296 R CA 2.076 58.220 56.100 0.074 0.000 1.006 296 R CB -0.432 29.922 30.300 0.091 0.000 0.885 296 R HN 0.864 nan 8.270 nan 0.000 0.467 297 S N 2.078 117.812 115.700 0.058 0.000 2.507 297 S HA -0.124 4.346 4.470 0.000 0.000 0.235 297 S C 2.098 176.691 174.600 -0.011 0.000 0.988 297 S CA 0.838 59.043 58.200 0.007 0.000 0.944 297 S CB -0.720 62.475 63.200 -0.008 0.000 0.762 297 S HN 0.619 nan 8.310 nan 0.000 0.526 298 I N 1.516 122.027 120.570 -0.098 0.000 2.399 298 I HA -0.143 4.028 4.170 0.000 0.000 0.254 298 I C 2.223 178.337 176.117 -0.004 0.000 1.146 298 I CA 1.574 62.729 61.300 -0.242 0.000 1.412 298 I CB -1.056 36.401 38.000 -0.905 0.000 1.076 298 I HN 0.443 nan 8.210 nan 0.000 0.432 299 S N 0.686 116.428 115.700 0.070 0.000 2.607 299 S HA 0.110 4.580 4.470 0.000 0.000 0.224 299 S C 0.892 175.703 174.600 0.351 0.000 0.969 299 S CA -0.333 58.052 58.200 0.308 0.000 0.927 299 S CB -0.408 62.885 63.200 0.155 0.000 0.772 299 S HN 0.516 nan 8.310 nan 0.000 0.533 300 R N 1.876 122.442 120.500 0.110 0.000 2.215 300 R HA 0.235 4.576 4.340 0.000 0.000 0.336 300 R C 1.255 177.277 176.300 -0.463 0.000 0.996 300 R CA -0.082 55.951 56.100 -0.111 0.000 0.847 300 R CB 0.864 31.111 30.300 -0.088 0.000 1.127 300 R HN 0.609 nan 8.270 nan 0.000 0.465 301 E N 2.557 122.207 120.200 -0.916 0.000 2.153 301 E HA -0.181 4.169 4.350 0.000 0.000 0.194 301 E C 0.605 176.847 176.600 -0.598 0.000 0.988 301 E CA 1.479 57.031 56.400 -1.413 0.000 0.811 301 E CB 0.140 28.885 29.700 -1.591 0.000 0.746 301 E HN 0.518 nan 8.360 nan 0.000 0.466 302 A N 0.971 123.579 122.820 -0.353 0.000 2.631 302 A HA 0.189 4.509 4.320 0.000 0.000 0.294 302 A C 0.081 177.588 177.584 -0.129 0.000 1.156 302 A CA -0.525 51.395 52.037 -0.194 0.000 0.963 302 A CB -0.143 18.762 19.000 -0.159 0.000 1.202 302 A HN 0.262 nan 8.150 nan 0.000 0.523 303 N N 1.035 119.661 118.700 -0.122 0.000 2.725 303 N HA 0.116 4.856 4.740 0.000 0.000 0.248 303 N C -0.248 175.244 175.510 -0.031 0.000 1.402 303 N CA 0.327 53.332 53.050 -0.074 0.000 0.766 303 N CB 0.790 39.223 38.487 -0.091 0.000 1.223 303 N HN 0.358 nan 8.380 nan 0.000 0.515 304 T N -2.170 112.395 114.554 0.019 0.000 2.884 304 T HA 0.404 4.754 4.350 0.000 0.000 0.277 304 T C 1.617 176.367 174.700 0.083 0.000 0.976 304 T CA -0.137 62.027 62.100 0.107 0.000 0.956 304 T CB 1.243 70.236 68.868 0.208 0.000 1.113 304 T HN 0.174 nan 8.240 nan 0.000 0.554 305 G N -0.984 107.873 108.800 0.095 0.000 2.432 305 G HA2 -0.104 3.856 3.960 0.000 0.000 0.219 305 G HA3 -0.104 3.856 3.960 0.000 0.000 0.219 305 G C 1.041 175.841 174.900 -0.167 0.000 1.135 305 G CA 0.430 45.491 45.100 -0.065 0.000 0.767 305 G HN 0.794 nan 8.290 nan 0.000 0.550 306 Y N 0.936 121.293 120.300 0.094 0.000 2.286 306 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 306 Y C 2.618 178.521 175.900 0.007 0.000 1.124 306 Y CA 0.969 59.107 58.100 0.064 0.000 1.178 306 Y CB 0.137 38.671 38.460 0.123 0.000 1.010 306 Y HN 0.115 nan 8.280 nan 0.000 0.536 307 D N 0.241 120.721 120.400 0.133 0.000 2.097 307 D HA -0.153 4.487 4.640 0.000 0.000 0.195 307 D C 2.124 178.417 176.300 -0.012 0.000 0.989 307 D CA 1.304 55.329 54.000 0.041 0.000 0.827 307 D CB -0.317 40.490 40.800 0.011 0.000 0.966 307 D HN 0.322 nan 8.370 nan 0.000 0.456 308 L N 0.571 121.771 121.223 -0.038 0.000 2.109 308 L HA -0.007 4.333 4.340 0.000 0.000 0.207 308 L C 2.622 179.420 176.870 -0.119 0.000 1.086 308 L CA 1.174 55.965 54.840 -0.081 0.000 0.760 308 L CB -0.554 41.455 42.059 -0.083 0.000 0.910 308 L HN 0.054 nan 8.230 nan 0.000 0.437 309 G N -0.378 108.339 108.800 -0.138 0.000 2.422 309 G HA2 -0.242 3.718 3.960 0.000 0.000 0.218 309 G HA3 -0.242 3.718 3.960 0.000 0.000 0.218 309 G C 1.774 176.595 174.900 -0.132 0.000 1.146 309 G CA 0.788 45.766 45.100 -0.203 0.000 0.769 309 G HN 0.449 nan 8.290 nan 0.000 0.547 310 A N 0.769 123.562 122.820 -0.044 0.000 1.902 310 A HA 0.021 4.341 4.320 0.000 0.000 0.217 310 A C 2.703 180.257 177.584 -0.049 0.000 1.181 310 A CA 2.225 54.253 52.037 -0.015 0.000 0.623 310 A CB -0.604 18.406 19.000 0.016 0.000 0.818 310 A HN 0.304 nan 8.150 nan 0.000 0.443 311 S N -0.133 115.525 115.700 -0.070 0.000 2.368 311 S HA -0.047 4.423 4.470 0.000 0.000 0.225 311 S C 2.305 176.829 174.600 -0.127 0.000 1.030 311 S CA 1.168 59.316 58.200 -0.087 0.000 0.999 311 S CB -0.462 62.685 63.200 -0.088 0.000 0.844 311 S HN 0.800 nan 8.310 nan 0.000 0.459 312 A N 1.375 124.088 122.820 -0.178 0.000 1.902 312 A HA -0.061 4.260 4.320 0.000 0.000 0.217 312 A C 2.063 179.533 177.584 -0.190 0.000 1.181 312 A CA 1.214 53.093 52.037 -0.263 0.000 0.623 312 A CB -0.702 18.090 19.000 -0.346 0.000 0.818 312 A HN 0.483 nan 8.150 nan 0.000 0.443 313 I N -0.662 119.846 120.570 -0.104 0.000 2.179 313 I HA -0.275 3.896 4.170 0.000 0.000 0.242 313 I C 2.577 178.693 176.117 -0.001 0.000 1.088 313 I CA 1.823 63.132 61.300 0.015 0.000 1.357 313 I CB -0.339 37.710 38.000 0.081 0.000 1.051 313 I HN 0.549 nan 8.210 nan 0.000 0.409 314 E N 1.281 121.466 120.200 -0.025 0.000 2.070 314 E HA -0.299 4.051 4.350 0.000 0.000 0.197 314 E C 2.246 178.832 176.600 -0.023 0.000 1.004 314 E CA 1.638 58.027 56.400 -0.020 0.000 0.805 314 E CB -0.074 29.608 29.700 -0.031 0.000 0.744 314 E HN 0.496 nan 8.360 nan 0.000 0.451 315 A N 0.927 123.709 122.820 -0.063 0.000 1.902 315 A HA -0.161 4.159 4.320 0.000 0.000 0.217 315 A C 2.193 179.741 177.584 -0.060 0.000 1.181 315 A CA 1.473 53.469 52.037 -0.068 0.000 0.623 315 A CB -0.636 18.283 19.000 -0.135 0.000 0.818 315 A HN 0.355 nan 8.150 nan 0.000 0.443 316 I N -0.311 120.193 120.570 -0.111 0.000 2.226 316 I HA -0.264 3.906 4.170 0.000 0.000 0.245 316 I C 2.364 178.524 176.117 0.071 0.000 1.100 316 I CA 1.078 62.309 61.300 -0.116 0.000 1.374 316 I CB -0.324 37.570 38.000 -0.177 0.000 1.057 316 I HN 0.295 nan 8.210 nan 0.000 0.413 317 L N -0.228 121.036 121.223 0.068 0.000 2.046 317 L HA -0.231 4.110 4.340 0.000 0.000 0.208 317 L C 2.562 179.489 176.870 0.096 0.000 1.077 317 L CA 0.967 55.863 54.840 0.093 0.000 0.747 317 L CB -0.531 41.566 42.059 0.063 0.000 0.896 317 L HN 0.293 nan 8.230 nan 0.000 0.432 318 L N -0.145 121.124 121.223 0.077 0.000 2.027 318 L HA -0.183 4.158 4.340 0.000 0.000 0.206 318 L C 2.304 179.253 176.870 0.131 0.000 1.074 318 L CA 1.697 56.590 54.840 0.088 0.000 0.745 318 L CB -0.421 41.683 42.059 0.074 0.000 0.898 318 L HN 0.087 nan 8.230 nan 0.000 0.433 319 L N -0.552 120.771 121.223 0.167 0.000 2.083 319 L HA -0.161 4.179 4.340 0.000 0.000 0.209 319 L C 2.621 179.629 176.870 0.230 0.000 1.083 319 L CA 1.093 56.081 54.840 0.247 0.000 0.752 319 L CB -0.844 41.395 42.059 0.301 0.000 0.899 319 L HN 0.375 nan 8.230 nan 0.000 0.433 320 A N 0.047 123.028 122.820 0.269 0.000 2.019 320 A HA -0.205 4.115 4.320 0.000 0.000 0.219 320 A C 2.323 179.901 177.584 -0.009 0.000 1.164 320 A CA 1.310 53.431 52.037 0.140 0.000 0.644 320 A CB -0.476 18.642 19.000 0.197 0.000 0.805 320 A HN 0.348 nan 8.150 nan 0.000 0.449 321 R N -0.711 119.810 120.500 0.035 0.000 2.200 321 R HA -0.067 4.273 4.340 0.000 0.000 0.234 321 R C 1.805 178.091 176.300 -0.023 0.000 1.127 321 R CA 1.113 57.218 56.100 0.008 0.000 0.989 321 R CB -0.270 30.053 30.300 0.039 0.000 0.869 321 R HN 0.493 nan 8.270 nan 0.000 0.459 322 A N -0.277 122.523 122.820 -0.033 0.000 2.348 322 A HA 0.222 4.542 4.320 0.000 0.000 0.224 322 A C 0.455 177.938 177.584 -0.167 0.000 1.227 322 A CA -0.131 51.869 52.037 -0.061 0.000 0.885 322 A CB 0.300 19.308 19.000 0.013 0.000 0.933 322 A HN -0.013 nan 8.150 nan 0.000 0.506 323 M N 0.941 120.382 119.600 -0.265 0.000 2.371 323 M HA 0.206 4.686 4.480 0.000 0.000 0.301 323 M C 0.150 176.272 176.300 -0.297 0.000 1.173 323 M CA -0.860 54.193 55.300 -0.411 0.000 1.020 323 M CB 0.309 32.478 32.600 -0.718 0.000 1.490 323 M HN 0.485 nan 8.290 nan 0.000 0.485 324 D N 1.439 121.659 120.400 -0.299 0.000 2.400 324 D HA 0.041 4.682 4.640 0.000 0.000 0.238 324 D C -2.066 174.098 176.300 -0.227 0.000 1.157 324 D CA -0.994 52.878 54.000 -0.213 0.000 0.889 324 D CB 0.990 41.687 40.800 -0.172 0.000 1.199 324 D HN 0.159 nan 8.370 nan 0.000 0.436 325 P HA -0.115 nan 4.420 nan 0.000 0.215 325 P C 1.174 178.374 177.300 -0.166 0.000 1.157 325 P CA 2.464 65.477 63.100 -0.145 0.000 0.868 325 P CB -0.045 31.595 31.700 -0.101 0.000 0.788 326 A N -1.115 121.609 122.820 -0.161 0.000 1.902 326 A HA -0.165 4.155 4.320 0.000 0.000 0.217 326 A C 2.241 179.688 177.584 -0.229 0.000 1.181 326 A CA 2.366 54.310 52.037 -0.154 0.000 0.623 326 A CB -1.820 17.108 19.000 -0.120 0.000 0.818 326 A HN 0.160 nan 8.150 nan 0.000 0.443 327 T N 0.216 114.569 114.554 -0.335 0.000 2.821 327 T HA 0.053 4.403 4.350 0.000 0.000 0.267 327 T C 2.233 176.480 174.700 -0.756 0.000 1.046 327 T CA 1.341 63.085 62.100 -0.593 0.000 1.139 327 T CB -0.425 67.993 68.868 -0.751 0.000 0.871 327 T HN 0.584 nan 8.240 nan 0.000 0.454 328 A N 1.656 124.151 122.820 -0.540 0.000 1.883 328 A HA 0.048 4.368 4.320 0.000 0.000 0.217 328 A C 2.636 180.111 177.584 -0.181 0.000 1.186 328 A CA 1.999 53.825 52.037 -0.352 0.000 0.624 328 A CB -1.149 17.709 19.000 -0.236 0.000 0.822 328 A HN 0.515 nan 8.150 nan 0.000 0.444 329 A N -0.518 122.207 122.820 -0.158 0.000 1.930 329 A HA -0.085 4.235 4.320 0.000 0.000 0.217 329 A C 2.158 179.705 177.584 -0.063 0.000 1.175 329 A CA 2.024 54.007 52.037 -0.090 0.000 0.627 329 A CB -0.414 18.534 19.000 -0.087 0.000 0.815 329 A HN 0.492 nan 8.150 nan 0.000 0.443 330 R N -0.858 119.590 120.500 -0.086 0.000 2.073 330 R HA -0.161 4.179 4.340 0.000 0.000 0.234 330 R C 1.725 178.098 176.300 0.121 0.000 1.134 330 R CA 2.036 58.130 56.100 -0.009 0.000 0.952 330 R CB -0.747 29.549 30.300 -0.007 0.000 0.850 330 R HN 0.620 nan 8.270 nan 0.000 0.433 331 W N 0.953 122.201 121.300 -0.087 0.000 2.358 331 W HA 0.021 4.681 4.660 0.000 0.000 0.303 331 W C 2.201 178.662 176.519 -0.097 0.000 1.208 331 W CA 0.992 58.290 57.345 -0.079 0.000 1.274 331 W CB -0.758 28.669 29.460 -0.055 0.000 1.138 331 W HN 0.193 nan 8.180 nan 0.000 0.515 332 R N -0.447 120.138 120.500 0.141 0.000 2.096 332 R HA -0.090 4.251 4.340 0.000 0.000 0.235 332 R C 2.551 178.834 176.300 -0.028 0.000 1.127 332 R CA 1.534 57.663 56.100 0.048 0.000 0.968 332 R CB -1.133 29.180 30.300 0.022 0.000 0.861 332 R HN 0.207 nan 8.270 nan 0.000 0.440 333 G N 1.036 109.804 108.800 -0.053 0.000 2.418 333 G HA2 -0.219 3.742 3.960 0.000 0.000 0.217 333 G HA3 -0.219 3.742 3.960 0.000 0.000 0.217 333 G C 1.424 176.188 174.900 -0.228 0.000 1.158 333 G CA 0.435 45.468 45.100 -0.110 0.000 0.771 333 G HN 0.118 nan 8.290 nan 0.000 0.545 334 L N 0.062 121.105 121.223 -0.300 0.000 2.012 334 L HA -0.169 4.171 4.340 0.000 0.000 0.210 334 L C 3.046 179.355 176.870 -0.935 0.000 1.073 334 L CA 1.096 55.499 54.840 -0.728 0.000 0.748 334 L CB -0.621 40.962 42.059 -0.794 0.000 0.891 334 L HN 0.255 nan 8.230 nan 0.000 0.431 335 C N -0.499 118.572 119.300 -0.382 0.000 2.440 335 C HA -0.081 4.379 4.460 0.000 0.000 0.278 335 C C 3.141 178.117 174.990 -0.023 0.000 1.295 335 C CA 0.514 59.518 59.018 -0.023 0.000 1.738 335 C CB -1.033 26.770 27.740 0.105 0.000 1.987 335 C HN 0.616 nan 8.230 nan 0.000 0.492 336 A N 0.832 123.603 122.820 -0.081 0.000 1.933 336 A HA 0.035 4.355 4.320 0.000 0.000 0.218 336 A C 2.366 179.914 177.584 -0.059 0.000 1.175 336 A CA 2.107 54.116 52.037 -0.047 0.000 0.628 336 A CB -1.124 17.845 19.000 -0.052 0.000 0.814 336 A HN 0.553 nan 8.150 nan 0.000 0.444 337 G N -1.450 107.251 108.800 -0.165 0.000 2.404 337 G HA2 -0.199 3.762 3.960 0.000 0.000 0.215 337 G HA3 -0.199 3.762 3.960 0.000 0.000 0.215 337 G C 1.349 176.232 174.900 -0.028 0.000 1.174 337 G CA 0.845 45.852 45.100 -0.156 0.000 0.780 337 G HN 0.581 nan 8.290 nan 0.000 0.537 338 W N 0.724 122.036 121.300 0.020 0.000 2.374 338 W HA 0.114 4.775 4.660 0.000 0.000 0.288 338 W C 2.379 178.928 176.519 0.050 0.000 1.218 338 W CA 0.113 57.478 57.345 0.034 0.000 1.245 338 W CB -0.736 28.734 29.460 0.016 0.000 1.126 338 W HN 0.209 nan 8.180 nan 0.000 0.545 339 I N 0.027 120.731 120.570 0.224 0.000 2.235 339 I HA -0.198 3.972 4.170 0.000 0.000 0.241 339 I C 2.609 178.789 176.117 0.105 0.000 1.085 339 I CA 1.401 62.788 61.300 0.145 0.000 1.378 339 I CB -0.928 37.128 38.000 0.094 0.000 1.076 339 I HN -0.206 nan 8.210 nan 0.000 0.415 340 A N 0.874 123.737 122.820 0.073 0.000 1.933 340 A HA -0.178 4.142 4.320 0.000 0.000 0.218 340 A C 2.316 179.941 177.584 0.067 0.000 1.175 340 A CA 1.452 53.519 52.037 0.049 0.000 0.628 340 A CB -0.544 18.469 19.000 0.021 0.000 0.814 340 A HN 0.332 nan 8.150 nan 0.000 0.444 341 R N -0.600 119.957 120.500 0.096 0.000 2.276 341 R HA -0.022 4.318 4.340 0.000 0.000 0.203 341 R C -0.165 176.219 176.300 0.140 0.000 1.017 341 R CA 0.675 56.841 56.100 0.111 0.000 1.010 341 R CB -0.064 30.313 30.300 0.129 0.000 0.900 341 R HN 0.411 nan 8.270 nan 0.000 0.469 342 D N 0.863 121.356 120.400 0.155 0.000 2.500 342 D HA -0.001 4.639 4.640 0.000 0.000 0.219 342 D C 0.664 177.016 176.300 0.086 0.000 1.137 342 D CA -0.069 54.030 54.000 0.165 0.000 0.946 342 D CB 0.979 41.913 40.800 0.224 0.000 1.022 342 D HN 0.084 nan 8.370 nan 0.000 0.518 343 T N 0.295 114.898 114.554 0.081 0.000 3.107 343 T HA -0.061 4.289 4.350 0.000 0.000 0.249 343 T C 1.469 176.182 174.700 0.023 0.000 1.096 343 T CA 0.053 62.178 62.100 0.041 0.000 1.012 343 T CB -0.339 68.556 68.868 0.045 0.000 0.977 343 T HN 0.384 nan 8.240 nan 0.000 0.527 344 Y N 1.955 122.181 120.300 -0.125 0.000 2.343 344 Y HA 0.407 4.958 4.550 0.001 0.000 0.294 344 Y C 0.891 176.637 175.900 -0.256 0.000 1.122 344 Y CA 0.111 58.093 58.100 -0.196 0.000 1.173 344 Y CB 0.554 38.866 38.460 -0.247 0.000 1.077 344 Y HN -0.086 nan 8.280 nan 0.000 0.542 345 R N 1.524 121.719 120.500 -0.509 0.000 2.629 345 R HA 0.325 4.666 4.340 0.000 0.000 0.277 345 R C -2.962 173.219 176.300 -0.197 0.000 1.637 345 R CA -2.227 53.596 56.100 -0.461 0.000 1.663 345 R CB 0.304 30.284 30.300 -0.534 0.000 1.228 345 R HN 0.186 nan 8.270 nan 0.000 0.632 346 P HA 0.029 nan 4.420 nan 0.000 0.264 346 P C 1.191 178.462 177.300 -0.049 0.000 1.183 346 P CA 0.137 63.200 63.100 -0.062 0.000 0.763 346 P CB 0.792 32.454 31.700 -0.063 0.000 0.807 347 I N 2.942 123.505 120.570 -0.012 0.000 2.454 347 I HA -0.200 3.970 4.170 0.000 0.000 0.254 347 I C 1.434 177.527 176.117 -0.041 0.000 1.156 347 I CA 1.270 62.565 61.300 -0.008 0.000 1.433 347 I CB 0.054 38.065 38.000 0.018 0.000 1.082 347 I HN 0.342 nan 8.210 nan 0.000 0.432 348 L N 0.338 121.528 121.223 -0.056 0.000 2.395 348 L HA -0.048 4.292 4.340 0.000 0.000 0.218 348 L C 0.325 177.147 176.870 -0.081 0.000 1.130 348 L CA -0.002 54.788 54.840 -0.083 0.000 0.826 348 L CB -0.760 41.239 42.059 -0.100 0.000 0.941 348 L HN 0.226 nan 8.230 nan 0.000 0.451 349 N N 0.421 119.077 118.700 -0.074 0.000 2.452 349 N HA 0.003 4.743 4.740 0.000 0.000 0.266 349 N C 0.823 176.292 175.510 -0.068 0.000 1.209 349 N CA 0.357 53.362 53.050 -0.075 0.000 0.929 349 N CB 0.914 39.348 38.487 -0.088 0.000 1.063 349 N HN -0.031 nan 8.380 nan 0.000 0.472 350 S N -1.287 114.375 115.700 -0.062 0.000 3.270 350 S HA -0.241 4.229 4.470 0.000 0.000 0.293 350 S C 0.381 174.949 174.600 -0.052 0.000 1.278 350 S CA 0.840 59.008 58.200 -0.053 0.000 1.038 350 S CB -1.512 61.657 63.200 -0.052 0.000 1.218 350 S HN 0.913 nan 8.310 nan 0.000 0.659 351 A N 1.900 124.682 122.820 -0.063 0.000 2.498 351 A HA 0.549 4.870 4.320 0.000 0.000 0.239 351 A C 0.944 178.493 177.584 -0.060 0.000 1.068 351 A CA 0.412 52.410 52.037 -0.065 0.000 0.766 351 A CB 0.204 19.152 19.000 -0.087 0.000 1.003 351 A HN 1.235 nan 8.150 nan 0.000 0.497 352 S N 1.430 117.102 115.700 -0.047 0.000 2.587 352 S HA 0.176 4.646 4.470 0.000 0.000 0.260 352 S C 1.192 175.776 174.600 -0.027 0.000 1.353 352 S CA -0.073 58.109 58.200 -0.031 0.000 0.995 352 S CB 0.462 63.645 63.200 -0.028 0.000 0.912 352 S HN 0.789 nan 8.310 nan 0.000 0.568 353 V N 1.932 121.857 119.914 0.019 0.000 2.295 353 V HA -0.058 4.062 4.120 0.000 0.000 0.246 353 V C -0.648 175.501 176.094 0.091 0.000 1.049 353 V CA 1.787 64.145 62.300 0.097 0.000 1.024 353 V CB -2.044 29.864 31.823 0.142 0.000 0.648 353 V HN 0.716 nan 8.190 nan 0.000 0.447 354 P HA -0.165 nan 4.420 nan 0.000 0.215 354 P C 1.769 179.070 177.300 0.002 0.000 1.153 354 P CA 1.454 64.566 63.100 0.019 0.000 0.853 354 P CB -0.086 31.595 31.700 -0.031 0.000 0.788 355 R N -0.689 119.794 120.500 -0.028 0.000 2.081 355 R HA -0.098 4.242 4.340 0.000 0.000 0.235 355 R C 1.908 178.163 176.300 -0.076 0.000 1.131 355 R CA 2.055 58.130 56.100 -0.043 0.000 0.960 355 R CB -0.992 29.279 30.300 -0.048 0.000 0.856 355 R HN 0.074 nan 8.270 nan 0.000 0.436 356 T N 0.707 115.178 114.554 -0.137 0.000 2.684 356 T HA -0.172 4.178 4.350 0.000 0.000 0.267 356 T C 1.818 176.352 174.700 -0.276 0.000 1.036 356 T CA 1.550 63.463 62.100 -0.311 0.000 1.148 356 T CB -0.370 68.154 68.868 -0.572 0.000 0.863 356 T HN 0.489 nan 8.240 nan 0.000 0.436 357 A N 0.973 123.760 122.820 -0.056 0.000 1.902 357 A HA 0.005 4.326 4.320 0.000 0.000 0.217 357 A C 2.317 179.945 177.584 0.073 0.000 1.181 357 A CA 1.258 53.400 52.037 0.174 0.000 0.623 357 A CB -0.859 18.313 19.000 0.287 0.000 0.818 357 A HN 0.471 nan 8.150 nan 0.000 0.443 358 L N -0.667 120.574 121.223 0.031 0.000 2.083 358 L HA -0.151 4.189 4.340 0.000 0.000 0.209 358 L C 2.511 179.388 176.870 0.012 0.000 1.083 358 L CA 0.969 55.824 54.840 0.026 0.000 0.752 358 L CB -0.387 41.684 42.059 0.020 0.000 0.899 358 L HN 0.250 nan 8.230 nan 0.000 0.433 359 V N -0.514 119.390 119.914 -0.018 0.000 2.358 359 V HA -0.230 3.890 4.120 0.000 0.000 0.246 359 V C 2.535 178.615 176.094 -0.022 0.000 1.047 359 V CA 1.457 63.743 62.300 -0.023 0.000 1.035 359 V CB -0.491 31.303 31.823 -0.049 0.000 0.658 359 V HN 0.372 nan 8.190 nan 0.000 0.452 360 K N -0.025 120.353 120.400 -0.035 0.000 2.057 360 K HA -0.225 4.095 4.320 0.000 0.000 0.207 360 K C 2.169 178.789 176.600 0.033 0.000 1.049 360 K CA 1.598 57.886 56.287 0.002 0.000 0.931 360 K CB -0.348 32.177 32.500 0.042 0.000 0.714 360 K HN 0.579 nan 8.250 nan 0.000 0.440 361 Q N 0.922 120.748 119.800 0.043 0.000 2.084 361 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 361 Q C 2.194 178.208 176.000 0.023 0.000 0.978 361 Q CA 1.246 57.073 55.803 0.039 0.000 0.844 361 Q CB -0.098 28.666 28.738 0.042 0.000 0.898 361 Q HN 0.167 nan 8.270 nan 0.000 0.426 362 L N 1.186 122.421 121.223 0.020 0.000 1.994 362 L HA -0.187 4.153 4.340 0.000 0.000 0.208 362 L C 1.917 178.791 176.870 0.007 0.000 1.071 362 L CA 2.100 56.949 54.840 0.014 0.000 0.745 362 L CB -0.590 41.480 42.059 0.017 0.000 0.892 362 L HN 0.255 nan 8.230 nan 0.000 0.431 363 E N -0.220 119.983 120.200 0.005 0.000 2.048 363 E HA -0.323 4.028 4.350 0.000 0.000 0.202 363 E C 2.120 178.722 176.600 0.003 0.000 1.021 363 E CA 1.662 58.063 56.400 0.002 0.000 0.825 363 E CB -0.481 29.219 29.700 0.001 0.000 0.756 363 E HN 0.685 nan 8.360 nan 0.000 0.454 364 A N 0.860 123.686 122.820 0.009 0.000 2.070 364 A HA -0.193 4.127 4.320 0.000 0.000 0.220 364 A C 2.338 179.924 177.584 0.002 0.000 1.159 364 A CA 1.986 54.028 52.037 0.009 0.000 0.656 364 A CB -1.024 17.986 19.000 0.017 0.000 0.800 364 A HN 0.463 nan 8.150 nan 0.000 0.453 365 T N -3.582 110.972 114.554 -0.000 0.000 2.929 365 T HA 0.212 4.562 4.350 0.000 0.000 0.271 365 T C 1.679 176.372 174.700 -0.011 0.000 1.085 365 T CA 1.320 63.416 62.100 -0.007 0.000 1.125 365 T CB -0.725 68.138 68.868 -0.009 0.000 0.874 365 T HN 1.711 nan 8.240 nan 0.000 0.494 366 G N 0.725 109.519 108.800 -0.010 0.000 2.186 366 G HA2 -0.262 3.698 3.960 0.000 0.000 0.266 366 G HA3 -0.262 3.698 3.960 0.000 0.000 0.266 366 G C 0.194 175.082 174.900 -0.019 0.000 0.982 366 G CA 0.196 45.288 45.100 -0.013 0.000 0.670 366 G HN 0.784 nan 8.290 nan 0.000 0.533 367 V N 1.236 121.137 119.914 -0.021 0.000 2.540 367 V HA 0.410 4.531 4.120 0.000 0.000 0.297 367 V C 1.265 177.339 176.094 -0.033 0.000 1.024 367 V CA 0.294 62.576 62.300 -0.029 0.000 1.105 367 V CB 0.587 32.392 31.823 -0.030 0.000 0.938 367 V HN 1.030 nan 8.190 nan 0.000 0.482 368 A N 8.932 131.729 122.820 -0.038 0.000 2.351 368 A HA 0.585 4.905 4.320 0.000 0.000 0.257 368 A C -1.862 175.688 177.584 -0.058 0.000 1.087 368 A CA -1.286 50.726 52.037 -0.040 0.000 0.798 368 A CB -0.054 18.923 19.000 -0.038 0.000 1.033 368 A HN 0.731 nan 8.150 nan 0.000 0.488 369 P HA 0.231 nan 4.420 nan 0.000 0.271 369 P C -0.769 176.470 177.300 -0.101 0.000 1.220 369 P CA 0.085 63.134 63.100 -0.084 0.000 0.768 369 P CB 0.779 32.444 31.700 -0.058 0.000 0.848 370 V N 3.455 123.277 119.914 -0.153 0.000 2.439 370 V HA 0.431 4.551 4.120 0.000 0.000 0.282 370 V C 0.926 176.920 176.094 -0.167 0.000 1.039 370 V CA -0.731 61.477 62.300 -0.152 0.000 0.913 370 V CB 1.077 32.795 31.823 -0.176 0.000 0.983 370 V HN 0.743 nan 8.190 nan 0.000 0.460 371 A N 4.202 126.955 122.820 -0.111 0.000 2.386 371 A HA 0.367 4.687 4.320 0.000 0.000 0.248 371 A C 0.319 177.848 177.584 -0.092 0.000 1.082 371 A CA -0.364 51.621 52.037 -0.087 0.000 0.789 371 A CB 0.080 19.043 19.000 -0.061 0.000 1.025 371 A HN 0.861 nan 8.150 nan 0.000 0.490 372 E N 0.752 120.917 120.200 -0.058 0.000 2.324 372 E HA 0.363 4.713 4.350 0.000 0.000 0.271 372 E C 0.255 176.816 176.600 -0.065 0.000 1.028 372 E CA -0.065 56.317 56.400 -0.031 0.000 0.890 372 E CB 0.838 30.550 29.700 0.021 0.000 1.004 372 E HN 0.714 nan 8.360 nan 0.000 0.431 373 A N 3.326 126.109 122.820 -0.061 0.000 2.425 373 A HA 0.158 4.478 4.320 0.000 0.000 0.249 373 A C 0.647 178.153 177.584 -0.128 0.000 1.084 373 A CA -0.503 51.485 52.037 -0.081 0.000 0.781 373 A CB 0.107 19.069 19.000 -0.062 0.000 1.019 373 A HN 0.681 nan 8.150 nan 0.000 0.490 374 T N 0.286 114.750 114.554 -0.151 0.000 2.802 374 T HA 0.563 4.913 4.350 0.000 0.000 0.305 374 T C 0.831 175.394 174.700 -0.228 0.000 1.053 374 T CA 0.405 62.373 62.100 -0.219 0.000 1.058 374 T CB 0.774 69.527 68.868 -0.192 0.000 0.988 374 T HN 2.616 nan 8.240 nan 0.000 0.539 375 G N 0.780 109.373 108.800 -0.344 0.000 2.428 375 G HA2 0.045 4.005 3.960 0.000 0.000 0.202 375 G HA3 0.045 4.005 3.960 0.000 0.000 0.202 375 G C -1.146 173.430 174.900 -0.539 0.000 1.247 375 G CA -0.672 44.139 45.100 -0.482 0.000 1.020 375 G HN 1.134 nan 8.290 nan 0.000 0.529 376 H N 0.901 119.965 119.070 -0.010 0.000 2.495 376 H HA 0.643 5.199 4.556 0.000 0.000 0.348 376 H C -0.329 174.920 175.328 -0.132 0.000 1.113 376 H CA -0.437 55.588 56.048 -0.038 0.000 1.195 376 H CB 1.899 31.704 29.762 0.071 0.000 1.521 376 H HN 0.393 nan 8.280 nan 0.000 0.509 377 K N 3.743 124.065 120.400 -0.131 0.000 2.545 377 K HA 0.384 4.705 4.320 0.000 0.000 0.252 377 K C -0.521 175.816 176.600 -0.439 0.000 0.948 377 K CA -0.471 55.646 56.287 -0.284 0.000 0.827 377 K CB 2.271 34.623 32.500 -0.247 0.000 1.128 377 K HN 0.466 nan 8.250 nan 0.000 0.429 378 L N 2.771 123.707 121.223 -0.479 0.000 2.325 378 L HA 0.572 4.912 4.340 0.000 0.000 0.278 378 L C -0.294 176.218 176.870 -0.595 0.000 1.023 378 L CA -0.872 53.747 54.840 -0.368 0.000 0.811 378 L CB 0.667 42.635 42.059 -0.151 0.000 1.249 378 L HN 0.457 nan 8.230 nan 0.000 0.431 379 F N 2.291 122.215 119.950 -0.043 0.000 2.531 379 F HA 0.311 4.838 4.527 0.000 0.000 0.333 379 F C -1.682 174.080 175.800 -0.063 0.000 1.292 379 F CA -1.357 56.612 58.000 -0.053 0.000 1.184 379 F CB 0.624 39.584 39.000 -0.067 0.000 1.426 379 F HN 0.314 nan 8.300 nan 0.000 0.559 380 P HA -0.195 nan 4.420 nan 0.000 0.219 380 P C 1.619 178.904 177.300 -0.025 0.000 1.146 380 P CA 1.274 64.391 63.100 0.029 0.000 0.808 380 P CB 0.251 31.959 31.700 0.013 0.000 0.779 381 A N 0.249 123.010 122.820 -0.098 0.000 2.067 381 A HA -0.089 4.232 4.320 0.000 0.000 0.219 381 A C 1.867 179.235 177.584 -0.359 0.000 1.158 381 A CA 1.609 53.454 52.037 -0.320 0.000 0.661 381 A CB -1.175 17.407 19.000 -0.697 0.000 0.801 381 A HN 0.373 nan 8.150 nan 0.000 0.452 382 M N -3.616 115.859 119.600 -0.207 0.000 2.496 382 M HA 0.347 4.827 4.480 0.000 0.000 0.330 382 M C -0.727 175.535 176.300 -0.064 0.000 1.133 382 M CA -0.058 55.141 55.300 -0.169 0.000 0.964 382 M CB 0.270 32.757 32.600 -0.187 0.000 1.401 382 M HN -0.011 nan 8.290 nan 0.000 0.520 383 D N 2.179 122.572 120.400 -0.011 0.000 2.723 383 D HA -0.118 4.522 4.640 0.000 0.000 0.236 383 D C -0.768 175.554 176.300 0.037 0.000 1.138 383 D CA 0.826 54.847 54.000 0.035 0.000 0.676 383 D CB -0.481 40.338 40.800 0.032 0.000 1.069 383 D HN 0.507 nan 8.370 nan 0.000 0.430 384 R N -0.447 120.092 120.500 0.065 0.000 2.673 384 R HA 0.734 5.074 4.340 0.000 0.000 0.281 384 R C 0.318 176.701 176.300 0.137 0.000 0.991 384 R CA -0.530 55.612 56.100 0.069 0.000 0.896 384 R CB 2.000 32.310 30.300 0.018 0.000 1.201 384 R HN 0.205 nan 8.270 nan 0.000 0.457 385 T N -1.295 113.298 114.554 0.066 0.000 2.903 385 T HA 0.708 5.059 4.350 0.000 0.000 0.299 385 T C -0.248 174.354 174.700 -0.163 0.000 1.093 385 T CA -0.895 61.184 62.100 -0.035 0.000 1.002 385 T CB 1.764 70.644 68.868 0.021 0.000 1.127 385 T HN 0.187 nan 8.240 nan 0.000 0.488 386 M N 2.588 121.965 119.600 -0.372 0.000 2.464 386 M HA 0.468 4.949 4.480 0.000 0.000 0.308 386 M C -1.045 174.893 176.300 -0.603 0.000 1.127 386 M CA -0.518 54.590 55.300 -0.319 0.000 0.913 386 M CB 1.952 34.504 32.600 -0.080 0.000 1.689 386 M HN 0.830 nan 8.290 nan 0.000 0.445 387 H N 1.889 121.029 119.070 0.116 0.000 2.856 387 H HA 0.579 5.136 4.556 0.001 0.000 0.355 387 H C -0.878 174.398 175.328 -0.088 0.000 1.079 387 H CA -0.681 55.447 56.048 0.132 0.000 1.240 387 H CB 2.356 32.367 29.762 0.415 0.000 1.701 387 H HN 0.558 nan 8.280 nan 0.000 0.527 388 R N 0.931 121.235 120.500 -0.326 0.000 2.744 388 R HA 0.676 5.016 4.340 0.000 0.000 0.279 388 R C -0.261 175.375 176.300 -1.106 0.000 0.977 388 R CA -0.889 54.772 56.100 -0.732 0.000 0.906 388 R CB 2.866 32.925 30.300 -0.402 0.000 1.197 388 R HN 0.779 nan 8.270 nan 0.000 0.463 389 G N 1.351 109.080 108.800 -1.786 0.000 2.727 389 G HA2 0.490 4.450 3.960 0.000 0.000 0.289 389 G HA3 0.490 4.450 3.960 0.000 0.000 0.289 389 G C -2.910 171.534 174.900 -0.761 0.000 1.418 389 G CA -1.449 43.034 45.100 -1.028 0.000 0.818 389 G HN 0.228 nan 8.290 nan 0.000 0.486 390 P HA 0.256 nan 4.420 nan 0.000 0.261 390 P C 0.884 178.208 177.300 0.039 0.000 1.203 390 P CA 1.724 64.778 63.100 -0.076 0.000 0.767 390 P CB 0.746 32.460 31.700 0.023 0.000 0.785 391 G N 1.958 110.770 108.800 0.019 0.000 2.176 391 G HA2 -0.146 3.814 3.960 0.000 0.000 0.253 391 G HA3 -0.146 3.814 3.960 0.000 0.000 0.253 391 G C -0.381 174.684 174.900 0.275 0.000 0.979 391 G CA -0.131 45.054 45.100 0.142 0.000 0.641 391 G HN 0.608 nan 8.290 nan 0.000 0.530 392 W N -1.547 119.826 121.300 0.123 0.000 3.137 392 W HA 0.784 5.445 4.660 0.000 0.000 0.324 392 W C -0.733 175.912 176.519 0.211 0.000 1.253 392 W CA -1.537 55.931 57.345 0.204 0.000 1.183 392 W CB 1.146 30.742 29.460 0.227 0.000 1.424 392 W HN 1.038 nan 8.180 nan 0.000 0.566 393 A N 3.128 126.262 122.820 0.522 0.000 2.375 393 A HA 0.619 4.939 4.320 0.000 0.000 0.295 393 A C -2.051 175.869 177.584 0.561 0.000 1.066 393 A CA -0.683 51.563 52.037 0.350 0.000 0.722 393 A CB 1.625 20.698 19.000 0.121 0.000 1.206 393 A HN 0.700 nan 8.150 nan 0.000 0.435 394 L N 2.659 124.224 121.223 0.570 0.000 2.275 394 L HA 0.742 5.082 4.340 0.000 0.000 0.288 394 L C 0.163 177.162 176.870 0.216 0.000 1.046 394 L CA 0.254 55.264 54.840 0.284 0.000 0.805 394 L CB 1.618 43.810 42.059 0.223 0.000 1.193 394 L HN 0.596 nan 8.230 nan 0.000 0.426 395 S N 6.098 121.871 115.700 0.123 0.000 2.498 395 S HA 0.635 5.105 4.470 0.000 0.000 0.317 395 S C -0.758 173.873 174.600 0.050 0.000 1.090 395 S CA -0.727 57.504 58.200 0.052 0.000 1.089 395 S CB 0.332 63.504 63.200 -0.047 0.000 0.997 395 S HN 0.636 nan 8.310 nan 0.000 0.470 396 L N 3.990 125.199 121.223 -0.024 0.000 2.307 396 L HA 0.735 5.076 4.340 0.000 0.000 0.282 396 L C 0.196 177.025 176.870 -0.068 0.000 1.051 396 L CA -0.756 53.986 54.840 -0.164 0.000 0.804 396 L CB 1.563 43.382 42.059 -0.401 0.000 1.197 396 L HN 0.785 nan 8.230 nan 0.000 0.431 397 A N 5.542 128.352 122.820 -0.016 0.000 2.293 397 A HA 0.731 5.051 4.320 0.000 0.000 0.312 397 A C -0.484 177.135 177.584 0.060 0.000 1.309 397 A CA -0.480 51.597 52.037 0.068 0.000 0.839 397 A CB 0.483 19.609 19.000 0.211 0.000 1.155 397 A HN 0.643 nan 8.150 nan 0.000 0.501 398 L N 1.394 122.646 121.223 0.049 0.000 2.421 398 L HA 0.862 5.202 4.340 0.000 0.000 0.267 398 L C 0.615 177.532 176.870 0.077 0.000 1.036 398 L CA -0.802 54.094 54.840 0.094 0.000 0.829 398 L CB 1.755 43.879 42.059 0.109 0.000 1.437 398 L HN 0.765 nan 8.230 nan 0.000 0.488 399 S N -0.961 114.770 115.700 0.052 0.000 2.596 399 S HA 0.869 5.340 4.470 0.000 0.000 0.270 399 S C -0.841 173.706 174.600 -0.088 0.000 1.155 399 S CA -0.262 57.906 58.200 -0.053 0.000 0.827 399 S CB 1.916 65.027 63.200 -0.149 0.000 1.130 399 S HN 0.926 nan 8.310 nan 0.000 0.467 400 S N 0.021 115.626 115.700 -0.157 0.000 2.694 400 S HA 0.383 4.853 4.470 0.000 0.000 0.273 400 S C 0.070 174.582 174.600 -0.146 0.000 1.180 400 S CA -0.258 57.882 58.200 -0.100 0.000 0.864 400 S CB -0.085 63.132 63.200 0.028 0.000 1.198 400 S HN 1.085 nan 8.310 nan 0.000 0.499 401 N N 0.210 118.874 118.700 -0.060 0.000 2.573 401 N HA -0.001 4.739 4.740 0.000 0.000 0.187 401 N C 1.159 176.648 175.510 -0.034 0.000 1.107 401 N CA 0.674 53.693 53.050 -0.051 0.000 0.918 401 N CB -0.308 38.188 38.487 0.015 0.000 0.966 401 N HN 0.553 nan 8.380 nan 0.000 0.448 402 R N -0.823 119.660 120.500 -0.029 0.000 2.279 402 R HA 0.325 4.665 4.340 0.000 0.000 0.195 402 R C -0.353 175.921 176.300 -0.045 0.000 0.905 402 R CA 0.116 56.202 56.100 -0.022 0.000 1.044 402 R CB 0.721 31.015 30.300 -0.010 0.000 1.056 402 R HN 0.202 nan 8.270 nan 0.000 0.535 403 I N 0.903 121.428 120.570 -0.076 0.000 2.478 403 I HA 0.327 4.497 4.170 0.000 0.000 0.287 403 I C -0.066 175.981 176.117 -0.116 0.000 1.042 403 I CA -1.264 59.992 61.300 -0.074 0.000 1.067 403 I CB 1.468 39.432 38.000 -0.059 0.000 1.233 403 I HN -0.023 nan 8.210 nan 0.000 0.431 404 A N 5.994 128.779 122.820 -0.058 0.000 2.425 404 A HA 0.153 4.473 4.320 0.000 0.000 0.242 404 A C 1.037 178.664 177.584 0.072 0.000 1.077 404 A CA -0.126 51.901 52.037 -0.018 0.000 0.781 404 A CB 0.164 19.218 19.000 0.089 0.000 1.020 404 A HN 0.817 nan 8.150 nan 0.000 0.494 405 W N 0.091 121.484 121.300 0.156 0.000 2.321 405 W HA -0.100 4.561 4.660 0.000 0.000 0.306 405 W C 0.697 177.391 176.519 0.293 0.000 1.217 405 W CA 2.476 59.944 57.345 0.204 0.000 1.257 405 W CB -0.848 28.751 29.460 0.231 0.000 1.145 405 W HN 0.800 nan 8.180 nan 0.000 0.509 406 Y N -3.326 117.133 120.300 0.265 0.000 2.732 406 Y HA 0.422 4.972 4.550 0.001 0.000 0.342 406 Y C -1.284 174.673 175.900 0.096 0.000 1.203 406 Y CA -1.549 56.627 58.100 0.126 0.000 1.092 406 Y CB 0.633 39.149 38.460 0.092 0.000 1.345 406 Y HN -0.189 nan 8.280 nan 0.000 0.458 407 E N 2.393 122.550 120.200 -0.072 0.000 2.151 407 E HA 0.593 4.943 4.350 0.000 0.000 0.275 407 E C -1.093 175.312 176.600 -0.326 0.000 0.936 407 E CA -0.788 55.495 56.400 -0.194 0.000 0.777 407 E CB 1.212 30.974 29.700 0.102 0.000 1.108 407 E HN 0.860 nan 8.360 nan 0.000 0.401 408 C N 2.136 121.078 119.300 -0.596 0.000 2.667 408 C HA 1.074 5.534 4.460 0.000 0.000 0.323 408 C C 0.344 174.862 174.990 -0.787 0.000 1.214 408 C CA -0.121 58.609 59.018 -0.480 0.000 1.721 408 C CB 0.449 27.984 27.740 -0.341 0.000 2.275 408 C HN 0.821 nan 8.230 nan 0.000 0.491 409 G N 1.420 109.776 108.800 -0.740 0.000 2.404 409 G HA2 0.468 4.428 3.960 0.000 0.000 0.298 409 G HA3 0.468 4.428 3.960 0.000 0.000 0.298 409 G C -0.725 173.923 174.900 -0.420 0.000 1.577 409 G CA -0.541 43.835 45.100 -1.206 0.000 0.847 409 G HN 1.093 nan 8.290 nan 0.000 0.598 410 N N -0.927 117.717 118.700 -0.093 0.000 2.693 410 N HA -0.176 4.564 4.740 0.000 0.000 0.249 410 N C 1.557 177.065 175.510 -0.004 0.000 1.119 410 N CA 2.933 56.026 53.050 0.071 0.000 0.717 410 N CB -1.044 37.538 38.487 0.157 0.000 1.071 410 N HN 2.452 nan 8.380 nan 0.000 0.555 411 G N -1.148 107.621 108.800 -0.052 0.000 2.136 411 G HA2 -0.306 3.654 3.960 0.000 0.000 0.242 411 G HA3 -0.306 3.654 3.960 0.000 0.000 0.242 411 G C -0.373 174.504 174.900 -0.037 0.000 0.989 411 G CA 0.546 45.625 45.100 -0.035 0.000 0.682 411 G HN 0.576 nan 8.290 nan 0.000 0.522 412 E N -0.392 119.767 120.200 -0.069 0.000 2.187 412 E HA 0.512 4.862 4.350 0.000 0.000 0.268 412 E C 0.564 177.128 176.600 -0.060 0.000 0.896 412 E CA -0.788 55.588 56.400 -0.041 0.000 0.766 412 E CB 1.216 30.898 29.700 -0.028 0.000 1.142 412 E HN 0.148 nan 8.360 nan 0.000 0.408 413 N N 2.029 120.713 118.700 -0.026 0.000 2.741 413 N HA -0.179 4.561 4.740 0.000 0.000 0.250 413 N C 0.073 175.593 175.510 0.016 0.000 1.115 413 N CA 0.470 53.510 53.050 -0.018 0.000 0.724 413 N CB -1.042 37.449 38.487 0.007 0.000 1.090 413 N HN 0.488 nan 8.380 nan 0.000 0.558 414 N N -0.178 118.504 118.700 -0.030 0.000 2.443 414 N HA -0.090 4.651 4.740 0.000 0.000 0.184 414 N C 1.491 177.001 175.510 -0.000 0.000 1.037 414 N CA 0.820 53.893 53.050 0.037 0.000 0.896 414 N CB -0.099 38.380 38.487 -0.014 0.000 0.959 414 N HN 0.511 nan 8.380 nan 0.000 0.442 415 R N 0.014 120.330 120.500 -0.308 0.000 2.334 415 R HA 0.162 4.503 4.340 0.000 0.000 0.216 415 R C 1.173 176.781 176.300 -1.152 0.000 0.905 415 R CA -0.088 55.538 56.100 -0.789 0.000 1.064 415 R CB 0.102 29.823 30.300 -0.965 0.000 1.046 415 R HN 0.046 nan 8.270 nan 0.000 0.508 416 G N 0.217 108.657 108.800 -0.601 0.000 3.279 416 G HA2 -0.142 3.818 3.960 0.000 0.000 0.230 416 G HA3 -0.142 3.818 3.960 0.000 0.000 0.230 416 G C 0.547 174.957 174.900 -0.817 0.000 1.230 416 G CA -0.272 44.606 45.100 -0.370 0.000 0.891 416 G HN 0.444 nan 8.290 nan 0.000 0.518 417 Y N -1.823 117.835 120.300 -1.070 0.000 2.497 417 Y HA 0.045 4.595 4.550 0.000 0.000 0.292 417 Y C 1.854 177.340 175.900 -0.690 0.000 1.137 417 Y CA 0.029 57.302 58.100 -1.379 0.000 1.285 417 Y CB -0.442 37.312 38.460 -1.177 0.000 0.991 417 Y HN 0.335 nan 8.280 nan 0.000 0.556 418 H N 0.109 119.135 119.070 -0.073 0.000 2.586 418 H HA 0.135 4.692 4.556 0.001 0.000 0.273 418 H C 1.649 177.039 175.328 0.103 0.000 0.997 418 H CA 0.922 57.007 56.048 0.062 0.000 1.177 418 H CB -0.040 29.770 29.762 0.081 0.000 1.471 418 H HN 0.564 nan 8.280 nan 0.000 0.538 419 T N -2.342 112.321 114.554 0.182 0.000 3.072 419 T HA -0.015 4.336 4.350 0.000 0.000 0.266 419 T C 1.901 176.745 174.700 0.241 0.000 1.127 419 T CA 0.863 63.103 62.100 0.232 0.000 1.107 419 T CB -0.159 68.835 68.868 0.210 0.000 0.910 419 T HN 0.299 nan 8.240 nan 0.000 0.513 420 G N 0.214 109.176 108.800 0.268 0.000 3.605 420 G HA2 0.321 4.281 3.960 0.000 0.000 0.277 420 G HA3 0.321 4.281 3.960 0.000 0.000 0.277 420 G C 0.617 175.690 174.900 0.289 0.000 1.093 420 G CA -0.458 44.800 45.100 0.262 0.000 0.821 420 G HN 0.454 nan 8.290 nan 0.000 0.532 421 S N 0.609 116.488 115.700 0.297 0.000 2.602 421 S HA 0.425 4.896 4.470 0.000 0.000 0.246 421 S C 1.359 176.135 174.600 0.292 0.000 1.009 421 S CA 0.262 58.641 58.200 0.299 0.000 1.052 421 S CB 0.074 63.456 63.200 0.302 0.000 0.778 421 S HN 1.116 nan 8.310 nan 0.000 0.455 422 G N 2.245 111.224 108.800 0.298 0.000 2.255 422 G HA2 -0.216 3.744 3.960 0.000 0.000 0.239 422 G HA3 -0.216 3.744 3.960 0.000 0.000 0.239 422 G C -0.059 175.014 174.900 0.289 0.000 1.083 422 G CA -0.532 44.814 45.100 0.410 0.000 0.826 422 G HN 0.442 nan 8.290 nan 0.000 0.493 423 M N 1.271 120.954 119.600 0.137 0.000 2.245 423 M HA 0.305 4.785 4.480 0.000 0.000 0.344 423 M C 1.094 177.373 176.300 -0.034 0.000 1.170 423 M CA 1.108 56.428 55.300 0.033 0.000 1.135 423 M CB 0.569 33.125 32.600 -0.074 0.000 1.574 423 M HN 0.484 nan 8.290 nan 0.000 0.452 424 T N 0.623 115.159 114.554 -0.030 0.000 3.042 424 T HA 0.415 4.765 4.350 0.000 0.000 0.356 424 T C -0.915 173.714 174.700 -0.119 0.000 1.233 424 T CA -0.669 61.380 62.100 -0.085 0.000 1.038 424 T CB -0.318 68.631 68.868 0.135 0.000 1.089 424 T HN 0.355 nan 8.240 nan 0.000 0.531 425 Y N 2.470 122.648 120.300 -0.202 0.000 2.486 425 Y HA 0.419 4.969 4.550 0.000 0.000 0.348 425 Y C -0.028 175.844 175.900 -0.047 0.000 1.000 425 Y CA -1.379 56.597 58.100 -0.207 0.000 1.253 425 Y CB 0.285 38.546 38.460 -0.332 0.000 1.140 425 Y HN 0.592 nan 8.280 nan 0.000 0.526 426 F N 3.822 124.047 119.950 0.459 0.000 2.303 426 F HA 0.284 4.811 4.527 0.001 0.000 0.368 426 F C -0.460 175.654 175.800 0.524 0.000 1.105 426 F CA -1.077 57.228 58.000 0.508 0.000 1.153 426 F CB -0.113 39.181 39.000 0.489 0.000 1.362 426 F HN 0.392 nan 8.300 nan 0.000 0.511 427 Y N 1.497 122.137 120.300 0.567 0.000 2.425 427 Y HA 0.392 4.942 4.550 0.000 0.000 0.331 427 Y C 1.020 177.167 175.900 0.413 0.000 1.157 427 Y CA -0.221 58.143 58.100 0.441 0.000 1.372 427 Y CB 0.854 39.496 38.460 0.302 0.000 1.253 427 Y HN 0.613 nan 8.280 nan 0.000 0.536 428 T N -3.331 111.483 114.554 0.432 0.000 2.618 428 T HA 0.222 4.572 4.350 0.000 0.000 0.293 428 T C 0.845 175.686 174.700 0.236 0.000 1.093 428 T CA -0.237 62.068 62.100 0.341 0.000 1.061 428 T CB 0.606 69.664 68.868 0.317 0.000 1.498 428 T HN 0.413 nan 8.240 nan 0.000 0.494 429 S N -0.620 115.185 115.700 0.175 0.000 2.507 429 S HA -0.029 4.441 4.470 0.000 0.000 0.235 429 S C 0.665 175.314 174.600 0.081 0.000 0.988 429 S CA 1.013 59.287 58.200 0.123 0.000 0.944 429 S CB -0.899 62.358 63.200 0.096 0.000 0.762 429 S HN 0.780 nan 8.310 nan 0.000 0.526 430 D N 1.468 121.914 120.400 0.077 0.000 2.545 430 D HA 0.180 4.821 4.640 0.000 0.000 0.227 430 D C 0.896 177.162 176.300 -0.057 0.000 1.150 430 D CA -0.138 53.863 54.000 0.002 0.000 1.046 430 D CB -0.429 40.394 40.800 0.039 0.000 1.098 430 D HN 0.322 nan 8.370 nan 0.000 0.502 431 L N 1.725 122.886 121.223 -0.104 0.000 2.131 431 L HA 0.003 4.343 4.340 0.000 0.000 0.210 431 L C 2.257 178.866 176.870 -0.435 0.000 1.092 431 L CA 1.114 55.898 54.840 -0.093 0.000 0.759 431 L CB -0.073 41.975 42.059 -0.018 0.000 0.903 431 L HN 0.430 nan 8.230 nan 0.000 0.435 432 G N -1.283 106.989 108.800 -0.879 0.000 3.026 432 G HA2 -0.133 3.827 3.960 0.000 0.000 0.208 432 G HA3 -0.133 3.827 3.960 0.000 0.000 0.208 432 G C 1.302 176.086 174.900 -0.194 0.000 1.169 432 G CA -0.022 44.536 45.100 -0.903 0.000 0.788 432 G HN 0.226 nan 8.290 nan 0.000 0.533 433 Q N 0.718 120.376 119.800 -0.236 0.000 2.062 433 Q HA -0.220 4.120 4.340 0.000 0.000 0.209 433 Q C 1.414 177.013 176.000 -0.668 0.000 0.996 433 Q CA 1.841 57.358 55.803 -0.477 0.000 0.859 433 Q CB -0.490 27.774 28.738 -0.790 0.000 0.920 433 Q HN 0.646 nan 8.270 nan 0.000 0.415 434 Y N -1.374 118.753 120.300 -0.288 0.000 2.457 434 Y HA 0.194 4.744 4.550 0.000 0.000 0.263 434 Y C 1.097 177.038 175.900 0.069 0.000 1.164 434 Y CA 0.261 58.100 58.100 -0.434 0.000 1.274 434 Y CB 0.460 38.646 38.460 -0.457 0.000 1.097 434 Y HN 0.255 nan 8.280 nan 0.000 0.523 435 D N -0.352 120.226 120.400 0.297 0.000 2.422 435 D HA -0.079 4.562 4.640 0.000 0.000 0.218 435 D C 0.180 176.782 176.300 0.503 0.000 1.047 435 D CA 0.325 54.622 54.000 0.496 0.000 0.885 435 D CB 0.264 41.442 40.800 0.631 0.000 1.035 435 D HN 0.016 nan 8.370 nan 0.000 0.502 436 D N 0.092 120.722 120.400 0.383 0.000 2.619 436 D HA 0.359 4.999 4.640 0.000 0.000 0.224 436 D C 0.303 176.796 176.300 0.322 0.000 1.133 436 D CA 0.323 54.553 54.000 0.383 0.000 1.017 436 D CB -0.513 40.518 40.800 0.385 0.000 1.077 436 D HN 0.238 nan 8.370 nan 0.000 0.503 437 A N 2.427 125.515 122.820 0.447 0.000 2.816 437 A HA -0.324 3.996 4.320 0.000 0.000 0.270 437 A C 1.319 178.963 177.584 0.100 0.000 1.413 437 A CA 1.077 53.302 52.037 0.313 0.000 0.866 437 A CB -2.772 16.338 19.000 0.184 0.000 1.032 437 A HN 0.615 nan 8.150 nan 0.000 0.642 438 F N -1.040 118.926 119.950 0.027 0.000 2.095 438 F HA -0.075 4.452 4.527 0.000 0.000 0.298 438 F C 1.712 177.358 175.800 -0.257 0.000 1.104 438 F CA 2.749 60.653 58.000 -0.160 0.000 1.232 438 F CB -0.244 38.571 39.000 -0.309 0.000 0.987 438 F HN 0.495 nan 8.300 nan 0.000 0.475 439 W N -0.386 121.003 121.300 0.149 0.000 2.800 439 W HA 0.167 4.827 4.660 0.001 0.000 0.249 439 W C 2.218 178.492 176.519 -0.409 0.000 1.294 439 W CA 0.588 57.915 57.345 -0.031 0.000 1.402 439 W CB -0.420 29.247 29.460 0.346 0.000 1.126 439 W HN 0.070 nan 8.180 nan 0.000 0.652 440 A N -0.275 122.131 122.820 -0.689 0.000 2.030 440 A HA -0.046 4.274 4.320 0.000 0.000 0.215 440 A C 1.900 179.302 177.584 -0.303 0.000 1.164 440 A CA 1.766 53.373 52.037 -0.716 0.000 0.697 440 A CB -0.719 17.538 19.000 -1.239 0.000 0.827 440 A HN 0.232 nan 8.150 nan 0.000 0.457 441 T N -4.048 110.351 114.554 -0.258 0.000 2.955 441 T HA 0.564 4.914 4.350 0.000 0.000 0.251 441 T C 0.912 175.400 174.700 -0.353 0.000 1.002 441 T CA 0.569 62.564 62.100 -0.174 0.000 0.970 441 T CB -0.398 68.466 68.868 -0.006 0.000 1.091 441 T HN 0.552 nan 8.240 nan 0.000 0.495 442 A N 2.396 124.847 122.820 -0.615 0.000 2.448 442 A HA 0.413 4.733 4.320 0.000 0.000 0.239 442 A C 0.471 177.704 177.584 -0.585 0.000 1.080 442 A CA -0.394 51.072 52.037 -0.952 0.000 0.779 442 A CB -0.230 17.871 19.000 -1.498 0.000 1.026 442 A HN 0.407 nan 8.150 nan 0.000 0.499 443 N N 0.784 119.182 118.700 -0.504 0.000 2.399 443 N HA 0.074 4.815 4.740 0.000 0.000 0.259 443 N C -0.038 175.232 175.510 -0.400 0.000 1.160 443 N CA 0.216 52.981 53.050 -0.474 0.000 0.946 443 N CB -0.165 37.898 38.487 -0.707 0.000 1.156 443 N HN 0.560 nan 8.380 nan 0.000 0.489 444 Y N 1.860 122.031 120.300 -0.214 0.000 2.639 444 Y HA 0.016 4.566 4.550 0.001 0.000 0.297 444 Y C 1.278 177.170 175.900 -0.013 0.000 1.151 444 Y CA 0.631 58.669 58.100 -0.103 0.000 1.335 444 Y CB 0.149 38.527 38.460 -0.137 0.000 0.994 444 Y HN 0.550 nan 8.280 nan 0.000 0.548 445 N N -0.198 118.505 118.700 0.006 0.000 2.280 445 N HA 0.089 4.829 4.740 0.000 0.000 0.192 445 N C 0.258 175.575 175.510 -0.323 0.000 1.109 445 N CA 0.360 53.347 53.050 -0.105 0.000 0.855 445 N CB 0.322 38.763 38.487 -0.077 0.000 0.974 445 N HN 0.325 nan 8.380 nan 0.000 0.482 446 R N 0.453 120.715 120.500 -0.398 0.000 2.688 446 R HA 0.323 4.664 4.340 0.000 0.000 0.396 446 R C -0.454 175.577 176.300 -0.448 0.000 1.081 446 R CA -0.233 55.572 56.100 -0.490 0.000 1.093 446 R CB 0.660 30.566 30.300 -0.657 0.000 1.338 446 R HN -0.032 nan 8.270 nan 0.000 0.613 447 L N 2.870 123.946 121.223 -0.245 0.000 2.461 447 L HA 0.203 4.544 4.340 0.000 0.000 0.272 447 L C -1.733 175.119 176.870 -0.030 0.000 1.197 447 L CA -1.650 53.134 54.840 -0.093 0.000 0.836 447 L CB 0.163 42.213 42.059 -0.014 0.000 1.105 447 L HN -0.110 nan 8.230 nan 0.000 0.477 448 P HA 0.004 nan 4.420 nan 0.000 0.264 448 P C 0.706 178.056 177.300 0.084 0.000 1.193 448 P CA 0.792 63.937 63.100 0.076 0.000 0.763 448 P CB 1.018 32.786 31.700 0.113 0.000 0.810 449 G N 3.147 112.040 108.800 0.155 0.000 2.284 449 G HA2 -0.258 3.703 3.960 0.000 0.000 0.230 449 G HA3 -0.258 3.703 3.960 0.000 0.000 0.230 449 G C 0.359 175.401 174.900 0.236 0.000 1.021 449 G CA 0.194 45.466 45.100 0.286 0.000 0.619 449 G HN 0.734 nan 8.290 nan 0.000 0.510 450 I N 0.384 121.030 120.570 0.127 0.000 3.004 450 I HA 0.637 4.807 4.170 0.000 0.000 0.287 450 I C 0.171 176.331 176.117 0.070 0.000 1.144 450 I CA 0.037 61.411 61.300 0.124 0.000 1.353 450 I CB 0.805 38.842 38.000 0.061 0.000 1.417 450 I HN 0.029 nan 8.210 nan 0.000 0.602 451 T N 4.463 119.080 114.554 0.104 0.000 2.824 451 T HA 0.556 4.906 4.350 0.000 0.000 0.280 451 T C -0.595 174.111 174.700 0.010 0.000 0.995 451 T CA -0.478 61.667 62.100 0.075 0.000 1.009 451 T CB 1.681 70.631 68.868 0.136 0.000 0.955 451 T HN 0.576 nan 8.240 nan 0.000 0.452 452 V N 3.135 123.018 119.914 -0.051 0.000 2.777 452 V HA 0.380 4.501 4.120 0.000 0.000 0.306 452 V C -1.391 174.642 176.094 -0.103 0.000 1.112 452 V CA -0.951 61.248 62.300 -0.167 0.000 0.917 452 V CB 2.035 33.615 31.823 -0.404 0.000 1.018 452 V HN 0.920 nan 8.190 nan 0.000 0.426 453 D N 4.118 124.480 120.400 -0.064 0.000 2.343 453 D HA 0.123 4.763 4.640 0.000 0.000 0.255 453 D C 1.271 177.528 176.300 -0.072 0.000 1.187 453 D CA 0.544 54.517 54.000 -0.045 0.000 0.875 453 D CB 2.062 42.850 40.800 -0.021 0.000 1.136 453 D HN 0.853 nan 8.370 nan 0.000 0.469 454 T N 0.353 114.856 114.554 -0.085 0.000 3.163 454 T HA -0.028 4.323 4.350 0.000 0.000 0.260 454 T C 0.836 175.491 174.700 -0.076 0.000 1.156 454 T CA -0.125 61.913 62.100 -0.102 0.000 1.072 454 T CB -0.470 68.326 68.868 -0.120 0.000 0.937 454 T HN 0.269 nan 8.240 nan 0.000 0.528 455 T N 4.871 119.386 114.554 -0.064 0.000 2.871 455 T HA 0.193 4.543 4.350 0.000 0.000 0.296 455 T C -2.327 172.325 174.700 -0.080 0.000 0.998 455 T CA -0.634 61.423 62.100 -0.072 0.000 1.162 455 T CB 0.406 69.228 68.868 -0.078 0.000 0.947 455 T HN 0.276 nan 8.240 nan 0.000 0.536 456 P HA 0.244 nan 4.420 nan 0.000 0.268 456 P C -0.577 176.619 177.300 -0.174 0.000 1.204 456 P CA -0.166 62.876 63.100 -0.096 0.000 0.768 456 P CB 0.473 32.127 31.700 -0.077 0.000 0.842 457 L N 4.969 126.014 121.223 -0.296 0.000 2.334 457 L HA 0.536 4.877 4.340 0.000 0.000 0.273 457 L C -1.936 174.684 176.870 -0.416 0.000 1.013 457 L CA -2.290 52.245 54.840 -0.508 0.000 0.816 457 L CB 1.728 43.147 42.059 -1.068 0.000 1.278 457 L HN 0.253 nan 8.230 nan 0.000 0.431 458 P HA 0.115 nan 4.420 nan 0.000 0.274 458 P C -1.117 176.143 177.300 -0.067 0.000 1.231 458 P CA -0.530 62.485 63.100 -0.142 0.000 0.790 458 P CB 0.621 32.254 31.700 -0.111 0.000 0.951 459 D N 1.661 122.087 120.400 0.044 0.000 2.525 459 D HA -0.022 4.618 4.640 0.000 0.000 0.235 459 D C 0.753 177.106 176.300 0.087 0.000 1.137 459 D CA 0.743 54.811 54.000 0.113 0.000 0.868 459 D CB 0.051 40.873 40.800 0.036 0.000 1.180 459 D HN 0.361 nan 8.370 nan 0.000 0.465 460 K N -1.487 119.019 120.400 0.176 0.000 3.391 460 K HA -0.175 4.145 4.320 0.000 0.000 0.307 460 K C 0.023 176.688 176.600 0.109 0.000 1.304 460 K CA -0.023 56.340 56.287 0.127 0.000 0.904 460 K CB -1.671 30.833 32.500 0.007 0.000 1.293 460 K HN 0.291 nan 8.250 nan 0.000 0.470 461 V N 2.052 122.018 119.914 0.086 0.000 2.788 461 V HA -0.092 4.028 4.120 0.000 0.000 0.307 461 V C 1.290 177.415 176.094 0.053 0.000 1.069 461 V CA 1.419 63.687 62.300 -0.052 0.000 1.173 461 V CB 0.598 32.238 31.823 -0.305 0.000 0.925 461 V HN 0.552 nan 8.190 nan 0.000 0.492 462 E N 2.571 122.764 120.200 -0.012 0.000 4.028 462 E HA -0.190 4.161 4.350 0.000 0.000 0.343 462 E C 0.535 177.188 176.600 0.089 0.000 0.700 462 E CA 1.351 57.785 56.400 0.057 0.000 1.288 462 E CB -1.838 27.918 29.700 0.092 0.000 1.677 462 E HN 2.114 nan 8.360 nan 0.000 0.424 463 G N 0.270 109.091 108.800 0.035 0.000 2.746 463 G HA2 -0.216 3.744 3.960 0.000 0.000 0.685 463 G HA3 -0.216 3.744 3.960 0.000 0.000 0.685 463 G C -0.421 174.406 174.900 -0.121 0.000 1.350 463 G CA -0.011 45.084 45.100 -0.009 0.000 0.837 463 G HN 0.098 nan 8.290 nan 0.000 0.564 464 Q N -0.905 118.796 119.800 -0.165 0.000 2.317 464 Q HA 0.448 4.789 4.340 0.000 0.000 0.229 464 Q C 0.273 176.145 176.000 -0.214 0.000 0.984 464 Q CA 0.254 55.811 55.803 -0.409 0.000 0.911 464 Q CB 0.592 28.973 28.738 -0.595 0.000 1.217 464 Q HN 0.920 nan 8.270 nan 0.000 0.501 465 W N -0.564 120.696 121.300 -0.066 0.000 4.141 465 W HA -0.216 4.445 4.660 0.001 0.000 0.336 465 W C 0.971 177.488 176.519 -0.003 0.000 1.258 465 W CA 0.075 57.405 57.345 -0.025 0.000 0.747 465 W CB -2.106 27.316 29.460 -0.062 0.000 2.338 465 W HN 1.057 nan 8.180 nan 0.000 1.410 466 G N -0.658 108.189 108.800 0.078 0.000 2.283 466 G HA2 -0.103 3.858 3.960 0.000 0.000 0.280 466 G HA3 -0.103 3.858 3.960 0.000 0.000 0.280 466 G C 1.095 176.070 174.900 0.125 0.000 1.029 466 G CA 0.557 45.713 45.100 0.095 0.000 0.840 466 G HN 1.337 nan 8.290 nan 0.000 0.505 467 A N -1.158 121.737 122.820 0.125 0.000 2.067 467 A HA 0.589 4.909 4.320 0.000 0.000 0.219 467 A C 1.671 179.328 177.584 0.122 0.000 1.158 467 A CA 2.131 54.243 52.037 0.124 0.000 0.661 467 A CB 0.047 19.121 19.000 0.123 0.000 0.801 467 A HN 2.125 nan 8.150 nan 0.000 0.452 468 A N -0.286 122.635 122.820 0.169 0.000 2.350 468 A HA 0.628 4.948 4.320 0.000 0.000 0.324 468 A C -0.249 177.426 177.584 0.150 0.000 1.118 468 A CA -0.021 52.146 52.037 0.216 0.000 0.783 468 A CB 1.225 20.441 19.000 0.360 0.000 1.236 468 A HN 1.202 nan 8.150 nan 0.000 0.457 469 V N -0.547 119.330 119.914 -0.061 0.000 2.914 469 V HA 0.835 4.955 4.120 0.000 0.000 0.314 469 V C -2.910 172.764 176.094 -0.700 0.000 1.084 469 V CA -2.574 59.484 62.300 -0.404 0.000 0.963 469 V CB 1.777 33.470 31.823 -0.217 0.000 1.025 469 V HN 0.717 nan 8.190 nan 0.000 0.432 470 P HA 0.273 nan 4.420 nan 0.000 0.271 470 P C -0.116 177.015 177.300 -0.281 0.000 1.220 470 P CA 0.133 62.783 63.100 -0.751 0.000 0.768 470 P CB 1.261 32.499 31.700 -0.769 0.000 0.848 471 A N 3.239 126.003 122.820 -0.093 0.000 3.063 471 A HA 0.170 4.490 4.320 0.000 0.000 0.263 471 A C 0.583 178.175 177.584 0.014 0.000 1.736 471 A CA -0.361 51.669 52.037 -0.013 0.000 1.408 471 A CB -1.118 17.907 19.000 0.040 0.000 1.108 471 A HN 0.584 nan 8.150 nan 0.000 0.621 472 D N -0.633 119.758 120.400 -0.014 0.000 2.437 472 D HA 0.171 4.811 4.640 0.000 0.000 0.259 472 D C 0.520 176.983 176.300 0.270 0.000 1.118 472 D CA -0.493 53.535 54.000 0.047 0.000 1.017 472 D CB 0.628 41.325 40.800 -0.172 0.000 1.120 472 D HN 0.309 nan 8.370 nan 0.000 0.541 473 E N -0.757 119.758 120.200 0.525 0.000 2.051 473 E HA 0.082 4.432 4.350 0.000 0.000 0.189 473 E C -0.067 176.839 176.600 0.510 0.000 0.979 473 E CA 0.769 57.410 56.400 0.400 0.000 0.803 473 E CB 0.129 30.006 29.700 0.295 0.000 0.761 473 E HN 0.611 nan 8.360 nan 0.000 0.451 474 W N -1.484 120.028 121.300 0.353 0.000 3.173 474 W HA 0.502 5.162 4.660 0.000 0.000 0.313 474 W C -1.784 174.926 176.519 0.318 0.000 1.228 474 W CA -0.793 56.711 57.345 0.264 0.000 1.185 474 W CB 0.458 30.041 29.460 0.204 0.000 1.390 474 W HN -0.350 nan 8.180 nan 0.000 0.568 475 S N 0.575 116.648 115.700 0.622 0.000 2.536 475 S HA 0.955 5.425 4.470 0.000 0.000 0.287 475 S C -0.125 174.833 174.600 0.596 0.000 1.101 475 S CA 0.037 58.563 58.200 0.543 0.000 0.950 475 S CB 2.210 65.579 63.200 0.283 0.000 1.056 475 S HN 1.158 nan 8.310 nan 0.000 0.481 476 G N 0.332 109.488 108.800 0.594 0.000 2.321 476 G HA2 0.745 4.705 3.960 0.000 0.000 0.296 476 G HA3 0.745 4.705 3.960 0.000 0.000 0.296 476 G C -1.961 173.123 174.900 0.307 0.000 1.287 476 G CA 0.064 45.369 45.100 0.342 0.000 0.846 476 G HN 1.222 nan 8.290 nan 0.000 0.508 477 A N -1.554 121.353 122.820 0.146 0.000 2.608 477 A HA 0.959 5.279 4.320 0.000 0.000 0.292 477 A C -0.620 176.998 177.584 0.056 0.000 1.066 477 A CA 0.458 52.573 52.037 0.130 0.000 0.676 477 A CB 1.537 20.616 19.000 0.132 0.000 1.277 477 A HN 1.836 nan 8.150 nan 0.000 0.413 478 T N -0.976 113.616 114.554 0.062 0.000 2.787 478 T HA 0.884 5.234 4.350 0.000 0.000 0.297 478 T C -1.388 173.327 174.700 0.026 0.000 1.221 478 T CA 0.338 62.458 62.100 0.033 0.000 1.006 478 T CB 1.659 70.544 68.868 0.029 0.000 1.328 478 T HN 2.427 nan 8.240 nan 0.000 0.509 479 A N 1.534 124.362 122.820 0.014 0.000 2.566 479 A HA 0.743 5.063 4.320 0.000 0.000 0.297 479 A C -2.110 175.496 177.584 0.036 0.000 1.059 479 A CA -0.570 51.464 52.037 -0.006 0.000 0.691 479 A CB 1.565 20.543 19.000 -0.038 0.000 1.282 479 A HN 0.863 nan 8.150 nan 0.000 0.401 480 L N 2.421 123.675 121.223 0.051 0.000 2.372 480 L HA 0.712 5.053 4.340 0.000 0.000 0.274 480 L C 0.884 177.811 176.870 0.094 0.000 0.988 480 L CA 1.490 56.372 54.840 0.070 0.000 0.833 480 L CB 1.273 43.375 42.059 0.072 0.000 1.236 480 L HN 2.353 nan 8.230 nan 0.000 0.410 481 G N 4.175 113.034 108.800 0.098 0.000 2.651 481 G HA2 -0.397 3.563 3.960 0.000 0.000 0.315 481 G HA3 -0.397 3.563 3.960 0.000 0.000 0.315 481 G C 0.588 175.584 174.900 0.160 0.000 1.258 481 G CA 0.745 45.907 45.100 0.103 0.000 1.002 481 G HN 1.046 nan 8.290 nan 0.000 0.551 482 E N -0.209 120.068 120.200 0.129 0.000 2.502 482 E HA 0.355 4.706 4.350 0.000 0.000 0.194 482 E C 0.427 177.198 176.600 0.285 0.000 1.062 482 E CA 0.518 57.011 56.400 0.154 0.000 0.867 482 E CB 0.173 29.913 29.700 0.066 0.000 0.888 482 E HN 0.426 nan 8.360 nan 0.000 0.510 483 V N 1.285 121.296 119.914 0.162 0.000 2.540 483 V HA 0.622 4.742 4.120 0.000 0.000 0.302 483 V C -0.179 175.805 176.094 -0.184 0.000 1.035 483 V CA -0.686 61.605 62.300 -0.016 0.000 0.873 483 V CB 1.513 33.277 31.823 -0.099 0.000 0.992 483 V HN 0.342 nan 8.190 nan 0.000 0.428 484 A N 3.506 126.077 122.820 -0.416 0.000 2.337 484 A HA 0.988 5.308 4.320 0.000 0.000 0.331 484 A C -0.179 177.429 177.584 0.041 0.000 1.137 484 A CA -0.404 51.443 52.037 -0.317 0.000 0.807 484 A CB 1.649 20.336 19.000 -0.521 0.000 1.250 484 A HN 1.400 nan 8.150 nan 0.000 0.468 485 A N 1.105 124.000 122.820 0.124 0.000 2.330 485 A HA 0.668 4.988 4.320 0.000 0.000 0.313 485 A C -0.948 176.718 177.584 0.137 0.000 1.124 485 A CA -0.419 51.752 52.037 0.224 0.000 0.774 485 A CB 0.961 20.190 19.000 0.382 0.000 1.198 485 A HN 1.170 nan 8.150 nan 0.000 0.465 486 V N 1.514 121.478 119.914 0.083 0.000 2.656 486 V HA 0.853 4.974 4.120 0.000 0.000 0.307 486 V C 0.521 176.821 176.094 0.344 0.000 1.051 486 V CA -0.120 62.332 62.300 0.253 0.000 0.893 486 V CB 2.056 34.046 31.823 0.279 0.000 0.999 486 V HN 1.252 nan 8.190 nan 0.000 0.426 487 G N 2.497 111.577 108.800 0.468 0.000 2.571 487 G HA2 0.692 4.652 3.960 0.000 0.000 0.304 487 G HA3 0.692 4.652 3.960 0.000 0.000 0.304 487 G C -1.546 173.585 174.900 0.384 0.000 1.314 487 G CA -0.506 44.808 45.100 0.358 0.000 0.975 487 G HN 0.648 nan 8.290 nan 0.000 0.485 488 Q N 0.137 120.151 119.800 0.357 0.000 2.263 488 Q HA 0.232 4.573 4.340 0.000 0.000 0.266 488 Q C -1.337 174.702 176.000 0.065 0.000 1.002 488 Q CA -0.762 55.201 55.803 0.268 0.000 0.790 488 Q CB 1.563 30.543 28.738 0.403 0.000 1.272 488 Q HN 0.833 nan 8.270 nan 0.000 0.435 489 H N 5.632 124.585 119.070 -0.194 0.000 2.934 489 H HA 0.185 4.741 4.556 0.000 0.000 0.273 489 H C -1.031 174.209 175.328 -0.147 0.000 1.121 489 H CA -0.554 55.254 56.048 -0.400 0.000 1.451 489 H CB 0.671 30.192 29.762 -0.401 0.000 1.469 489 H HN 0.493 nan 8.280 nan 0.000 0.476 490 L N 6.773 127.879 121.223 -0.195 0.000 2.319 490 L HA 0.196 4.536 4.340 0.000 0.000 0.280 490 L C -1.151 175.563 176.870 -0.260 0.000 1.099 490 L CA -0.220 54.545 54.840 -0.126 0.000 0.828 490 L CB 0.977 43.055 42.059 0.033 0.000 1.150 490 L HN 0.379 nan 8.230 nan 0.000 0.442 491 V N 5.636 125.454 119.914 -0.160 0.000 2.384 491 V HA 0.591 4.711 4.120 0.000 0.000 0.287 491 V C 0.839 177.115 176.094 0.302 0.000 1.020 491 V CA -0.433 61.859 62.300 -0.013 0.000 0.850 491 V CB 1.101 32.898 31.823 -0.044 0.000 0.987 491 V HN 0.956 nan 8.190 nan 0.000 0.436 492 G N 6.250 115.161 108.800 0.186 0.000 2.483 492 G HA2 0.470 4.430 3.960 0.000 0.000 0.248 492 G HA3 0.470 4.430 3.960 0.000 0.000 0.248 492 G C -2.361 172.503 174.900 -0.059 0.000 1.248 492 G CA -0.820 44.359 45.100 0.132 0.000 0.838 492 G HN 0.543 nan 8.290 nan 0.000 0.566 493 P HA 0.234 nan 4.420 nan 0.000 0.274 493 P C 0.767 177.714 177.300 -0.589 0.000 1.237 493 P CA 0.894 63.294 63.100 -1.166 0.000 0.793 493 P CB 1.162 32.002 31.700 -1.434 0.000 0.977 494 G N 1.523 110.008 108.800 -0.526 0.000 2.143 494 G HA2 -0.323 3.637 3.960 0.000 0.000 0.249 494 G HA3 -0.323 3.637 3.960 0.000 0.000 0.249 494 G C 0.520 175.304 174.900 -0.192 0.000 0.981 494 G CA 0.191 45.093 45.100 -0.330 0.000 0.665 494 G HN 0.644 nan 8.290 nan 0.000 0.528 495 R N -1.816 118.599 120.500 -0.142 0.000 3.758 495 R HA -0.270 4.070 4.340 0.000 0.000 0.299 495 R C 1.916 178.184 176.300 -0.054 0.000 1.182 495 R CA 1.733 57.798 56.100 -0.060 0.000 0.809 495 R CB -2.748 27.527 30.300 -0.041 0.000 1.249 495 R HN 1.130 nan 8.270 nan 0.000 0.497 496 T N -3.723 110.791 114.554 -0.068 0.000 2.995 496 T HA 0.116 4.466 4.350 0.000 0.000 0.269 496 T C 1.573 176.258 174.700 -0.024 0.000 1.091 496 T CA 1.034 63.104 62.100 -0.051 0.000 1.128 496 T CB 0.402 69.235 68.868 -0.058 0.000 0.891 496 T HN 0.773 nan 8.240 nan 0.000 0.492 497 G N 1.045 109.842 108.800 -0.006 0.000 2.157 497 G HA2 -0.204 3.756 3.960 0.000 0.000 0.248 497 G HA3 -0.204 3.756 3.960 0.000 0.000 0.248 497 G C 0.004 174.910 174.900 0.010 0.000 0.979 497 G CA 0.034 45.139 45.100 0.009 0.000 0.650 497 G HN 0.695 nan 8.290 nan 0.000 0.529 498 L N 1.550 122.776 121.223 0.006 0.000 2.540 498 L HA 0.569 4.909 4.340 0.000 0.000 0.276 498 L C 0.173 177.051 176.870 0.015 0.000 1.212 498 L CA 1.883 56.727 54.840 0.006 0.000 0.893 498 L CB 0.821 42.888 42.059 0.012 0.000 1.138 498 L HN 0.278 nan 8.230 nan 0.000 0.491 499 T N 4.407 118.963 114.554 0.003 0.000 2.893 499 T HA 0.817 5.167 4.350 0.000 0.000 0.293 499 T C -1.045 173.636 174.700 -0.032 0.000 1.027 499 T CA -0.010 62.100 62.100 0.017 0.000 0.988 499 T CB 1.378 70.298 68.868 0.087 0.000 1.043 499 T HN 0.991 nan 8.240 nan 0.000 0.461 500 A N 3.694 126.490 122.820 -0.039 0.000 2.589 500 A HA 0.789 5.109 4.320 0.000 0.000 0.296 500 A C -1.184 176.276 177.584 -0.208 0.000 1.062 500 A CA -0.887 51.078 52.037 -0.119 0.000 0.686 500 A CB 1.485 20.449 19.000 -0.060 0.000 1.282 500 A HN 0.798 nan 8.150 nan 0.000 0.404 501 R N 1.426 121.692 120.500 -0.390 0.000 2.272 501 R HA 0.411 4.752 4.340 0.000 0.000 0.323 501 R C -1.036 175.030 176.300 -0.389 0.000 1.002 501 R CA -0.335 55.363 56.100 -0.670 0.000 0.900 501 R CB 1.547 31.163 30.300 -1.140 0.000 1.151 501 R HN 0.584 nan 8.270 nan 0.000 0.507 502 K N 1.559 121.792 120.400 -0.279 0.000 2.235 502 K HA 0.443 4.763 4.320 0.000 0.000 0.266 502 K C -0.575 175.713 176.600 -0.520 0.000 0.980 502 K CA -0.442 55.602 56.287 -0.406 0.000 0.849 502 K CB 2.151 34.439 32.500 -0.353 0.000 1.098 502 K HN 0.354 nan 8.250 nan 0.000 0.445 503 S N 1.524 116.805 115.700 -0.698 0.000 2.599 503 S HA 0.543 5.014 4.470 0.000 0.000 0.287 503 S C -1.361 172.653 174.600 -0.977 0.000 1.105 503 S CA -0.937 56.880 58.200 -0.640 0.000 0.899 503 S CB 1.265 64.254 63.200 -0.351 0.000 1.100 503 S HN 0.451 nan 8.310 nan 0.000 0.482 504 W N 1.570 122.507 121.300 -0.604 0.000 2.839 504 W HA 0.497 5.157 4.660 0.000 0.000 0.334 504 W C -1.916 174.154 176.519 -0.748 0.000 1.064 504 W CA -0.722 56.338 57.345 -0.475 0.000 1.236 504 W CB 1.184 30.530 29.460 -0.190 0.000 1.405 504 W HN 0.528 nan 8.180 nan 0.000 0.478 505 F N 2.193 122.311 119.950 0.279 0.000 2.445 505 F HA 0.429 4.957 4.527 0.000 0.000 0.348 505 F C 0.037 176.042 175.800 0.342 0.000 1.125 505 F CA -0.989 57.191 58.000 0.299 0.000 0.983 505 F CB 1.344 40.535 39.000 0.318 0.000 1.198 505 F HN -0.221 nan 8.300 nan 0.000 0.436 506 V N 2.943 123.006 119.914 0.250 0.000 2.378 506 V HA 0.487 4.608 4.120 0.000 0.000 0.288 506 V C 0.004 176.164 176.094 0.110 0.000 1.016 506 V CA -0.671 61.727 62.300 0.163 0.000 0.840 506 V CB 1.284 33.100 31.823 -0.011 0.000 0.994 506 V HN 0.830 nan 8.190 nan 0.000 0.431 507 S N 3.794 119.499 115.700 0.009 0.000 2.590 507 S HA 0.539 5.009 4.470 0.000 0.000 0.282 507 S C 1.462 176.201 174.600 0.231 0.000 1.136 507 S CA 0.152 58.285 58.200 -0.112 0.000 1.030 507 S CB 1.143 64.075 63.200 -0.446 0.000 1.195 507 S HN 0.891 nan 8.310 nan 0.000 0.506 508 G N -0.563 108.333 108.800 0.161 0.000 2.598 508 G HA2 0.065 4.025 3.960 0.000 0.000 0.215 508 G HA3 0.065 4.025 3.960 0.000 0.000 0.215 508 G C 0.483 175.640 174.900 0.429 0.000 1.131 508 G CA 0.676 45.904 45.100 0.214 0.000 0.785 508 G HN 0.765 nan 8.290 nan 0.000 0.539 509 D N -1.220 119.424 120.400 0.407 0.000 2.409 509 D HA 0.082 4.722 4.640 0.000 0.000 0.301 509 D C 0.797 177.127 176.300 0.051 0.000 1.095 509 D CA 0.323 54.547 54.000 0.375 0.000 0.929 509 D CB 0.693 41.626 40.800 0.222 0.000 1.623 509 D HN 0.260 nan 8.370 nan 0.000 0.506 510 V N 0.231 120.169 119.914 0.039 0.000 2.864 510 V HA 0.738 4.859 4.120 0.000 0.000 0.314 510 V C -0.644 175.458 176.094 0.014 0.000 1.073 510 V CA -0.307 61.925 62.300 -0.114 0.000 0.956 510 V CB 2.102 33.792 31.823 -0.222 0.000 1.023 510 V HN -0.109 nan 8.190 nan 0.000 0.435 511 T N 3.578 118.135 114.554 0.005 0.000 2.791 511 T HA 0.580 4.930 4.350 0.000 0.000 0.288 511 T C -0.426 174.365 174.700 0.151 0.000 0.999 511 T CA -0.262 61.944 62.100 0.176 0.000 0.952 511 T CB 1.238 70.296 68.868 0.315 0.000 0.938 511 T HN 0.722 nan 8.240 nan 0.000 0.444 512 V N 3.406 123.454 119.914 0.224 0.000 2.407 512 V HA 0.317 4.437 4.120 0.000 0.000 0.278 512 V C -0.000 176.145 176.094 0.085 0.000 1.037 512 V CA -0.700 61.678 62.300 0.131 0.000 0.900 512 V CB 0.942 32.869 31.823 0.173 0.000 0.983 512 V HN 1.017 nan 8.190 nan 0.000 0.459 513 C N 7.041 126.238 119.300 -0.171 0.000 2.293 513 C HA 0.639 5.099 4.460 0.000 0.000 0.323 513 C C -0.016 174.866 174.990 -0.181 0.000 1.240 513 C CA -0.902 57.906 59.018 -0.351 0.000 1.497 513 C CB -0.307 26.928 27.740 -0.842 0.000 2.171 513 C HN 0.702 nan 8.230 nan 0.000 0.465 514 L N 3.143 124.246 121.223 -0.200 0.000 2.329 514 L HA 0.844 5.184 4.340 0.000 0.000 0.279 514 L C 0.479 176.900 176.870 -0.748 0.000 1.014 514 L CA -0.060 54.609 54.840 -0.285 0.000 0.814 514 L CB 1.769 43.811 42.059 -0.028 0.000 1.257 514 L HN 0.829 nan 8.230 nan 0.000 0.424 515 G N 1.402 109.401 108.800 -1.334 0.000 2.638 515 G HA2 0.820 4.780 3.960 0.000 0.000 0.302 515 G HA3 0.820 4.780 3.960 0.000 0.000 0.302 515 G C -1.573 172.930 174.900 -0.662 0.000 1.365 515 G CA -0.319 43.967 45.100 -1.357 0.000 0.987 515 G HN 0.803 nan 8.290 nan 0.000 0.495 516 A N 1.214 123.778 122.820 -0.426 0.000 2.609 516 A HA 0.748 5.068 4.320 0.000 0.000 0.291 516 A C -0.097 177.320 177.584 -0.278 0.000 1.096 516 A CA 0.199 52.066 52.037 -0.283 0.000 0.684 516 A CB 1.326 20.204 19.000 -0.203 0.000 1.282 516 A HN 1.476 nan 8.150 nan 0.000 0.412 517 D N -0.777 119.497 120.400 -0.210 0.000 2.800 517 D HA -0.140 4.500 4.640 0.000 0.000 0.232 517 D C -0.510 175.679 176.300 -0.186 0.000 1.137 517 D CA 1.169 55.053 54.000 -0.194 0.000 0.718 517 D CB -1.473 39.177 40.800 -0.251 0.000 1.084 517 D HN 0.551 nan 8.370 nan 0.000 0.432 518 I N 0.689 121.147 120.570 -0.188 0.000 2.371 518 I HA 0.317 4.487 4.170 0.000 0.000 0.290 518 I C 0.902 176.941 176.117 -0.130 0.000 1.028 518 I CA 0.070 61.255 61.300 -0.193 0.000 1.345 518 I CB 1.201 38.999 38.000 -0.337 0.000 1.407 518 I HN 0.251 nan 8.210 nan 0.000 0.501 519 S N 3.488 119.134 115.700 -0.090 0.000 2.643 519 S HA 0.724 5.195 4.470 0.000 0.000 0.270 519 S C -0.711 173.869 174.600 -0.034 0.000 1.166 519 S CA -0.720 57.448 58.200 -0.053 0.000 0.815 519 S CB 2.446 65.621 63.200 -0.041 0.000 1.139 519 S HN 0.573 nan 8.310 nan 0.000 0.472 520 T N -1.132 113.409 114.554 -0.022 0.000 2.792 520 T HA 0.717 5.067 4.350 0.000 0.000 0.303 520 T C 0.096 174.789 174.700 -0.012 0.000 1.310 520 T CA 0.113 62.205 62.100 -0.015 0.000 1.007 520 T CB 1.276 70.135 68.868 -0.016 0.000 1.335 520 T HN 1.490 nan 8.240 nan 0.000 0.504 521 A N 0.597 123.410 122.820 -0.011 0.000 2.390 521 A HA 0.305 4.625 4.320 0.000 0.000 0.232 521 A C 1.972 179.546 177.584 -0.017 0.000 1.233 521 A CA 0.996 53.026 52.037 -0.011 0.000 0.907 521 A CB -0.346 18.650 19.000 -0.007 0.000 0.967 521 A HN 0.953 nan 8.150 nan 0.000 0.512 522 S N -1.608 114.079 115.700 -0.022 0.000 2.496 522 S HA 0.321 4.791 4.470 0.000 0.000 0.224 522 S C 1.606 176.190 174.600 -0.027 0.000 0.996 522 S CA 1.169 59.352 58.200 -0.028 0.000 0.927 522 S CB -0.286 62.892 63.200 -0.037 0.000 0.774 522 S HN 1.775 nan 8.310 nan 0.000 0.524 523 G N 0.835 109.622 108.800 -0.022 0.000 2.184 523 G HA2 -0.142 3.818 3.960 0.000 0.000 0.264 523 G HA3 -0.142 3.818 3.960 0.000 0.000 0.264 523 G C 0.251 175.137 174.900 -0.023 0.000 0.975 523 G CA 0.159 45.247 45.100 -0.020 0.000 0.642 523 G HN 1.280 nan 8.290 nan 0.000 0.536 524 A N -0.191 122.612 122.820 -0.028 0.000 2.264 524 A HA 0.751 5.071 4.320 0.000 0.000 0.304 524 A C 0.587 178.155 177.584 -0.026 0.000 1.100 524 A CA -0.159 51.858 52.037 -0.034 0.000 0.839 524 A CB 0.596 19.570 19.000 -0.044 0.000 1.121 524 A HN 0.395 nan 8.150 nan 0.000 0.496 525 K N -0.024 120.357 120.400 -0.033 0.000 2.414 525 K HA 0.360 4.681 4.320 0.000 0.000 0.272 525 K C -0.852 175.737 176.600 -0.018 0.000 0.993 525 K CA 0.040 56.313 56.287 -0.023 0.000 0.964 525 K CB 0.553 33.026 32.500 -0.045 0.000 0.925 525 K HN 0.345 nan 8.250 nan 0.000 0.487 526 V N 2.538 122.469 119.914 0.029 0.000 2.555 526 V HA 0.247 4.367 4.120 0.000 0.000 0.302 526 V C -0.309 175.869 176.094 0.140 0.000 1.038 526 V CA -0.779 61.562 62.300 0.067 0.000 0.887 526 V CB 1.651 33.524 31.823 0.083 0.000 0.991 526 V HN 0.742 nan 8.190 nan 0.000 0.434 527 E N 1.428 121.675 120.200 0.079 0.000 2.263 527 E HA 0.695 5.045 4.350 0.000 0.000 0.264 527 E C -1.098 175.557 176.600 0.091 0.000 0.923 527 E CA -0.748 55.666 56.400 0.024 0.000 0.802 527 E CB 2.388 32.004 29.700 -0.141 0.000 1.228 527 E HN 0.632 nan 8.360 nan 0.000 0.417 528 T N 1.725 116.284 114.554 0.010 0.000 2.848 528 T HA 0.360 4.711 4.350 0.000 0.000 0.285 528 T C -0.548 174.064 174.700 -0.148 0.000 0.995 528 T CA -0.688 61.381 62.100 -0.052 0.000 0.970 528 T CB 0.572 69.365 68.868 -0.124 0.000 0.976 528 T HN 0.227 nan 8.240 nan 0.000 0.441 529 I N 4.597 125.087 120.570 -0.134 0.000 2.291 529 I HA 0.179 4.349 4.170 0.000 0.000 0.290 529 I C 1.556 177.568 176.117 -0.176 0.000 1.050 529 I CA -0.222 61.003 61.300 -0.126 0.000 1.245 529 I CB 0.462 38.398 38.000 -0.107 0.000 1.405 529 I HN 0.450 nan 8.210 nan 0.000 0.478 530 V N 4.748 124.445 119.914 -0.362 0.000 2.295 530 V HA -0.137 3.984 4.120 0.000 0.000 0.246 530 V C 0.766 176.752 176.094 -0.180 0.000 1.049 530 V CA 1.823 63.795 62.300 -0.547 0.000 1.024 530 V CB -0.358 30.984 31.823 -0.801 0.000 0.648 530 V HN 0.793 nan 8.190 nan 0.000 0.447 531 D N -3.097 117.186 120.400 -0.194 0.000 2.623 531 D HA 0.359 4.999 4.640 0.000 0.000 0.241 531 D C -1.532 174.777 176.300 0.014 0.000 1.241 531 D CA -0.521 53.448 54.000 -0.052 0.000 0.788 531 D CB 1.775 42.514 40.800 -0.102 0.000 1.413 531 D HN 0.224 nan 8.370 nan 0.000 0.429 532 H N 0.955 120.004 119.070 -0.035 0.000 3.177 532 H HA 0.502 5.058 4.556 0.000 0.000 0.314 532 H C -1.449 173.970 175.328 0.151 0.000 1.059 532 H CA -0.480 55.571 56.048 0.004 0.000 1.515 532 H CB 0.652 30.359 29.762 -0.093 0.000 1.672 532 H HN 0.224 nan 8.280 nan 0.000 0.514 533 R N 3.994 124.468 120.500 -0.044 0.000 2.476 533 R HA 0.333 4.673 4.340 0.000 0.000 0.305 533 R C -0.967 175.095 176.300 -0.397 0.000 0.965 533 R CA -0.898 55.092 56.100 -0.184 0.000 0.867 533 R CB 0.653 30.791 30.300 -0.270 0.000 1.176 533 R HN 0.560 nan 8.270 nan 0.000 0.447 534 N N 4.702 123.019 118.700 -0.638 0.000 2.452 534 N HA 0.029 4.769 4.740 0.000 0.000 0.266 534 N C 0.088 175.035 175.510 -0.939 0.000 1.175 534 N CA 0.153 52.483 53.050 -1.200 0.000 0.945 534 N CB 0.724 38.650 38.487 -0.936 0.000 1.063 534 N HN 0.715 nan 8.380 nan 0.000 0.472 535 L N 3.722 124.457 121.223 -0.814 0.000 2.640 535 L HA 0.148 4.489 4.340 0.000 0.000 0.230 535 L C 0.642 177.313 176.870 -0.332 0.000 1.123 535 L CA -0.384 54.191 54.840 -0.442 0.000 0.900 535 L CB -0.526 41.387 42.059 -0.244 0.000 1.146 535 L HN 0.639 nan 8.230 nan 0.000 0.484 536 H N -0.211 118.681 119.070 -0.297 0.000 1.452 536 H HA -0.253 4.303 4.556 0.000 0.000 0.090 536 H C 0.557 175.804 175.328 -0.134 0.000 0.626 536 H CA 1.415 57.352 56.048 -0.185 0.000 1.901 536 H CB -0.993 28.698 29.762 -0.118 0.000 2.257 536 H HN 0.212 nan 8.280 nan 0.000 0.961 537 Q N 2.518 122.357 119.800 0.065 0.000 2.204 537 Q HA 0.325 4.665 4.340 0.000 0.000 0.209 537 Q C 1.004 177.007 176.000 0.005 0.000 0.861 537 Q CA 0.689 56.499 55.803 0.013 0.000 0.971 537 Q CB 0.751 29.503 28.738 0.024 0.000 1.095 537 Q HN 0.511 nan 8.270 nan 0.000 0.486 538 G N -0.015 108.788 108.800 0.005 0.000 2.537 538 G HA2 0.272 4.233 3.960 0.000 0.000 0.273 538 G HA3 0.272 4.233 3.960 0.000 0.000 0.273 538 G C 0.037 174.929 174.900 -0.012 0.000 1.189 538 G CA -0.321 44.781 45.100 0.004 0.000 0.881 538 G HN 0.091 nan 8.290 nan 0.000 0.535 539 S N 0.497 116.198 115.700 0.001 0.000 2.581 539 S HA 0.144 4.614 4.470 0.000 0.000 0.245 539 S C 0.182 174.790 174.600 0.012 0.000 1.115 539 S CA -0.579 57.622 58.200 0.002 0.000 1.093 539 S CB -0.354 62.849 63.200 0.006 0.000 0.853 539 S HN 0.589 nan 8.310 nan 0.000 0.479 540 N N 2.832 121.539 118.700 0.012 0.000 2.359 540 N HA 0.001 4.741 4.740 0.000 0.000 0.261 540 N C 0.066 175.602 175.510 0.043 0.000 1.267 540 N CA 0.735 53.804 53.050 0.032 0.000 0.864 540 N CB 0.204 38.706 38.487 0.025 0.000 1.063 540 N HN 0.093 nan 8.380 nan 0.000 0.474 541 T N 2.557 117.151 114.554 0.067 0.000 2.919 541 T HA 0.185 4.535 4.350 0.000 0.000 0.302 541 T C 0.525 175.289 174.700 0.107 0.000 1.031 541 T CA -0.166 61.980 62.100 0.077 0.000 1.127 541 T CB 0.222 69.144 68.868 0.090 0.000 0.952 541 T HN 0.216 nan 8.240 nan 0.000 0.540 542 L N 3.771 125.045 121.223 0.085 0.000 2.283 542 L HA 0.298 4.638 4.340 0.000 0.000 0.281 542 L C 0.603 177.533 176.870 0.101 0.000 1.033 542 L CA -0.533 54.368 54.840 0.101 0.000 0.848 542 L CB 0.778 42.863 42.059 0.045 0.000 1.226 542 L HN 0.635 nan 8.230 nan 0.000 0.429 543 T N 1.250 115.917 114.554 0.190 0.000 2.889 543 T HA 0.542 4.892 4.350 0.000 0.000 0.291 543 T C 0.356 175.086 174.700 0.050 0.000 0.995 543 T CA -0.457 61.744 62.100 0.169 0.000 1.092 543 T CB 1.382 70.421 68.868 0.284 0.000 0.954 543 T HN 0.678 nan 8.240 nan 0.000 0.506 544 T N -1.285 113.138 114.554 -0.217 0.000 2.864 544 T HA 0.689 5.039 4.350 0.000 0.000 0.289 544 T C 1.551 175.756 174.700 -0.826 0.000 1.082 544 T CA -0.366 61.274 62.100 -0.767 0.000 1.009 544 T CB 1.183 69.754 68.868 -0.496 0.000 1.234 544 T HN 0.399 nan 8.240 nan 0.000 0.526 545 A N 0.567 122.692 122.820 -1.158 0.000 1.917 545 A HA 0.136 4.456 4.320 0.000 0.000 0.219 545 A C 2.447 179.943 177.584 -0.148 0.000 1.182 545 A CA 2.339 54.153 52.037 -0.373 0.000 0.633 545 A CB -1.501 17.347 19.000 -0.252 0.000 0.819 545 A HN 1.388 nan 8.150 nan 0.000 0.448 546 A N -2.624 120.075 122.820 -0.202 0.000 2.072 546 A HA 0.465 4.785 4.320 0.000 0.000 0.216 546 A C 1.571 179.111 177.584 -0.073 0.000 1.156 546 A CA 1.743 53.715 52.037 -0.108 0.000 0.701 546 A CB -0.356 18.573 19.000 -0.118 0.000 0.816 546 A HN 1.605 nan 8.150 nan 0.000 0.458 547 G N -1.728 107.021 108.800 -0.086 0.000 2.168 547 G HA2 0.351 4.312 3.960 0.000 0.000 0.066 547 G HA3 0.351 4.312 3.960 0.000 0.000 0.066 547 G C 0.017 174.893 174.900 -0.040 0.000 0.769 547 G CA 0.616 45.692 45.100 -0.040 0.000 1.176 547 G HN 1.129 nan 8.290 nan 0.000 0.423 548 T N -1.427 113.102 114.554 -0.042 0.000 2.901 548 T HA 0.799 5.149 4.350 0.000 0.000 0.293 548 T C -0.810 173.858 174.700 -0.053 0.000 1.084 548 T CA -0.367 61.715 62.100 -0.030 0.000 1.008 548 T CB 2.414 71.282 68.868 -0.000 0.000 1.170 548 T HN 1.209 nan 8.240 nan 0.000 0.509 549 I N 0.258 120.800 120.570 -0.047 0.000 2.934 549 I HA 0.573 4.743 4.170 0.000 0.000 0.306 549 I C 0.171 176.264 176.117 -0.039 0.000 1.110 549 I CA -0.673 60.591 61.300 -0.060 0.000 1.019 549 I CB 1.827 39.771 38.000 -0.093 0.000 1.227 549 I HN 1.347 nan 8.210 nan 0.000 0.434 550 A N 3.813 126.608 122.820 -0.042 0.000 2.687 550 A HA -0.185 4.136 4.320 0.000 0.000 0.299 550 A C 1.162 178.736 177.584 -0.015 0.000 1.497 550 A CA 1.012 53.032 52.037 -0.029 0.000 0.751 550 A CB -2.393 16.589 19.000 -0.031 0.000 1.048 550 A HN 1.300 nan 8.150 nan 0.000 0.464 551 G N -1.289 107.502 108.800 -0.014 0.000 2.572 551 G HA2 0.307 4.268 3.960 0.000 0.000 0.216 551 G HA3 0.307 4.268 3.960 0.000 0.000 0.216 551 G C 0.620 175.517 174.900 -0.006 0.000 1.133 551 G CA 1.267 46.363 45.100 -0.007 0.000 0.791 551 G HN 0.843 nan 8.290 nan 0.000 0.538 552 T N 1.385 115.934 114.554 -0.008 0.000 2.772 552 T HA 0.613 4.963 4.350 0.000 0.000 0.288 552 T C 0.315 175.012 174.700 -0.005 0.000 0.994 552 T CA -0.304 61.792 62.100 -0.007 0.000 0.951 552 T CB 1.597 70.460 68.868 -0.008 0.000 0.933 552 T HN 0.337 nan 8.240 nan 0.000 0.447 553 A N 2.238 125.057 122.820 -0.002 0.000 2.546 553 A HA 0.503 4.823 4.320 0.000 0.000 0.243 553 A C 1.592 179.175 177.584 -0.001 0.000 1.063 553 A CA 0.560 52.597 52.037 0.000 0.000 0.757 553 A CB -0.726 18.275 19.000 0.002 0.000 0.991 553 A HN 1.634 nan 8.150 nan 0.000 0.503 554 G N 1.731 110.531 108.800 0.000 0.000 2.175 554 G HA2 -0.181 3.779 3.960 0.000 0.000 0.244 554 G HA3 -0.181 3.779 3.960 0.000 0.000 0.244 554 G C 0.329 175.227 174.900 -0.003 0.000 0.982 554 G CA 0.485 45.583 45.100 -0.004 0.000 0.641 554 G HN 1.329 nan 8.290 nan 0.000 0.527 555 T N 1.157 115.710 114.554 -0.002 0.000 2.821 555 T HA 0.529 4.880 4.350 0.000 0.000 0.307 555 T C 0.166 174.867 174.700 0.003 0.000 1.034 555 T CA 0.107 62.206 62.100 -0.002 0.000 0.953 555 T CB 2.095 70.958 68.868 -0.008 0.000 0.968 555 T HN 0.801 nan 8.240 nan 0.000 0.462 556 V N 4.255 124.179 119.914 0.017 0.000 2.655 556 V HA 0.302 4.423 4.120 0.000 0.000 0.300 556 V C -0.008 176.086 176.094 0.001 0.000 1.044 556 V CA 0.395 62.713 62.300 0.029 0.000 1.095 556 V CB 0.688 32.562 31.823 0.085 0.000 0.952 556 V HN 0.850 nan 8.190 nan 0.000 0.485 557 E N 3.882 124.060 120.200 -0.036 0.000 2.312 557 E HA 0.564 4.914 4.350 0.000 0.000 0.267 557 E C -1.458 175.053 176.600 -0.149 0.000 0.894 557 E CA -0.878 55.477 56.400 -0.075 0.000 0.773 557 E CB 2.499 32.154 29.700 -0.076 0.000 1.241 557 E HN 0.525 nan 8.360 nan 0.000 0.432 558 V N 2.518 122.318 119.914 -0.189 0.000 2.427 558 V HA 0.150 4.270 4.120 0.000 0.000 0.286 558 V C -0.201 175.746 176.094 -0.245 0.000 1.034 558 V CA -0.729 61.383 62.300 -0.313 0.000 0.893 558 V CB 1.243 32.858 31.823 -0.346 0.000 0.982 558 V HN 0.518 nan 8.190 nan 0.000 0.452 559 L N 5.415 126.479 121.223 -0.264 0.000 2.499 559 L HA 0.420 4.760 4.340 0.000 0.000 0.273 559 L C 1.137 177.892 176.870 -0.192 0.000 1.195 559 L CA 0.961 55.670 54.840 -0.217 0.000 0.882 559 L CB 0.401 42.332 42.059 -0.214 0.000 1.133 559 L HN 0.779 nan 8.230 nan 0.000 0.483 560 G N 3.346 112.041 108.800 -0.175 0.000 2.335 560 G HA2 -0.093 3.868 3.960 0.000 0.000 0.285 560 G HA3 -0.093 3.868 3.960 0.000 0.000 0.285 560 G C 0.403 175.219 174.900 -0.140 0.000 1.448 560 G CA 0.408 45.419 45.100 -0.147 0.000 1.070 560 G HN 0.780 nan 8.290 nan 0.000 0.564 561 D N -0.483 119.848 120.400 -0.115 0.000 2.354 561 D HA 0.029 4.669 4.640 0.000 0.000 0.209 561 D C 2.437 178.695 176.300 -0.070 0.000 1.015 561 D CA 0.782 54.734 54.000 -0.080 0.000 0.867 561 D CB -0.193 40.577 40.800 -0.050 0.000 0.933 561 D HN 0.384 nan 8.370 nan 0.000 0.520 562 G N 0.935 109.656 108.800 -0.131 0.000 2.498 562 G HA2 -0.254 3.707 3.960 0.000 0.000 0.219 562 G HA3 -0.254 3.707 3.960 0.000 0.000 0.219 562 G C 0.928 175.806 174.900 -0.037 0.000 1.119 562 G CA 0.250 45.277 45.100 -0.122 0.000 0.766 562 G HN 0.240 nan 8.290 nan 0.000 0.552 563 R N -1.963 118.493 120.500 -0.074 0.000 3.977 563 R HA -0.126 4.215 4.340 0.000 0.000 0.428 563 R C 0.187 176.576 176.300 0.149 0.000 1.079 563 R CA 1.415 57.538 56.100 0.038 0.000 1.269 563 R CB -2.303 28.058 30.300 0.102 0.000 1.856 563 R HN 0.752 nan 8.270 nan 0.000 0.551 564 W N -0.706 120.621 121.300 0.046 0.000 2.864 564 W HA 0.748 5.408 4.660 -0.000 0.000 0.343 564 W C -1.197 175.373 176.519 0.085 0.000 1.109 564 W CA -1.165 56.227 57.345 0.078 0.000 1.192 564 W CB 1.053 30.561 29.460 0.080 0.000 1.426 564 W HN -0.143 nan 8.180 nan 0.000 0.529 565 V N 2.643 122.834 119.914 0.461 0.000 2.760 565 V HA 0.427 4.548 4.120 0.000 0.000 0.309 565 V C -1.236 175.215 176.094 0.595 0.000 1.077 565 V CA -0.509 62.017 62.300 0.376 0.000 0.910 565 V CB 2.054 33.968 31.823 0.151 0.000 1.008 565 V HN 0.804 nan 8.190 nan 0.000 0.424 566 H N 6.348 125.692 119.070 0.457 0.000 2.466 566 H HA 0.534 5.090 4.556 0.001 0.000 0.338 566 H C -1.585 173.899 175.328 0.261 0.000 1.091 566 H CA -0.657 55.581 56.048 0.317 0.000 1.207 566 H CB 2.017 31.943 29.762 0.272 0.000 1.466 566 H HN 0.621 nan 8.280 nan 0.000 0.493 567 L N 5.309 126.424 121.223 -0.181 0.000 2.265 567 L HA 0.245 4.586 4.340 0.000 0.000 0.289 567 L C 0.280 177.034 176.870 -0.194 0.000 1.033 567 L CA -0.347 54.484 54.840 -0.016 0.000 0.814 567 L CB 0.951 43.129 42.059 0.198 0.000 1.203 567 L HN 0.719 nan 8.230 nan 0.000 0.423 568 E N 4.297 124.527 120.200 0.050 0.000 2.529 568 E HA 0.254 4.604 4.350 0.000 0.000 0.259 568 E C 1.054 177.698 176.600 0.074 0.000 0.966 568 E CA 1.082 57.561 56.400 0.131 0.000 0.937 568 E CB 0.232 30.016 29.700 0.141 0.000 0.923 568 E HN 1.007 nan 8.360 nan 0.000 0.468 569 G N 3.470 112.321 108.800 0.083 0.000 2.179 569 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 569 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 569 G C 0.146 175.107 174.900 0.102 0.000 0.977 569 G CA 0.410 45.557 45.100 0.078 0.000 0.641 569 G HN 0.605 nan 8.290 nan 0.000 0.533 570 F N 0.406 120.277 119.950 -0.130 0.000 2.423 570 F HA 0.542 5.069 4.527 0.000 0.000 0.269 570 F C 1.361 177.011 175.800 -0.250 0.000 0.880 570 F CA 2.284 60.182 58.000 -0.170 0.000 1.134 570 F CB 0.582 39.473 39.000 -0.181 0.000 1.143 570 F HN 1.053 nan 8.300 nan 0.000 0.802 571 G N -0.236 108.160 108.800 -0.674 0.000 2.339 571 G HA2 0.363 4.323 3.960 0.000 0.000 0.275 571 G HA3 0.363 4.323 3.960 0.000 0.000 0.275 571 G C -0.971 173.539 174.900 -0.651 0.000 1.323 571 G CA -0.333 44.307 45.100 -0.767 0.000 0.927 571 G HN 0.743 nan 8.290 nan 0.000 0.486 572 G N -1.401 107.083 108.800 -0.526 0.000 2.473 572 G HA2 0.761 4.722 3.960 0.000 0.000 0.321 572 G HA3 0.761 4.722 3.960 0.000 0.000 0.321 572 G C -1.622 173.014 174.900 -0.440 0.000 1.200 572 G CA -0.657 44.276 45.100 -0.279 0.000 0.963 572 G HN 0.726 nan 8.290 nan 0.000 0.483 573 Y N -0.554 119.818 120.300 0.119 0.000 2.477 573 Y HA 0.706 5.257 4.550 0.000 0.000 0.347 573 Y C 0.289 176.294 175.900 0.175 0.000 0.981 573 Y CA -0.811 57.364 58.100 0.125 0.000 1.033 573 Y CB 2.758 41.274 38.460 0.095 0.000 1.245 573 Y HN 0.819 nan 8.280 nan 0.000 0.455 574 A N 3.406 126.422 122.820 0.326 0.000 2.520 574 A HA 0.777 5.097 4.320 0.000 0.000 0.298 574 A C -1.304 176.435 177.584 0.259 0.000 1.051 574 A CA -0.947 51.260 52.037 0.283 0.000 0.690 574 A CB 1.290 20.428 19.000 0.230 0.000 1.281 574 A HN 0.598 nan 8.150 nan 0.000 0.402 575 M N 2.542 122.268 119.600 0.210 0.000 2.180 575 M HA 0.297 4.778 4.480 0.000 0.000 0.358 575 M C 0.183 176.582 176.300 0.165 0.000 1.233 575 M CA 0.017 55.428 55.300 0.186 0.000 1.114 575 M CB 0.520 33.186 32.600 0.110 0.000 1.594 575 M HN 0.672 nan 8.290 nan 0.000 0.467 576 L N 1.868 123.192 121.223 0.169 0.000 2.769 576 L HA 0.101 4.441 4.340 0.000 0.000 0.240 576 L C 0.048 176.976 176.870 0.097 0.000 1.163 576 L CA -0.036 54.879 54.840 0.124 0.000 0.962 576 L CB -0.148 41.977 42.059 0.109 0.000 1.258 576 L HN 0.715 nan 8.230 nan 0.000 0.513 577 D N -3.146 117.315 120.400 0.102 0.000 2.744 577 D HA 0.096 4.736 4.640 0.000 0.000 0.304 577 D C -0.236 176.099 176.300 0.059 0.000 1.179 577 D CA -0.565 53.480 54.000 0.075 0.000 1.024 577 D CB 0.432 41.281 40.800 0.081 0.000 1.453 577 D HN -0.082 nan 8.370 nan 0.000 0.529 578 D N -1.001 119.424 120.400 0.041 0.000 2.395 578 D HA 0.121 4.761 4.640 0.000 0.000 0.226 578 D C -0.443 175.862 176.300 0.008 0.000 1.146 578 D CA -0.337 53.675 54.000 0.020 0.000 0.830 578 D CB -0.398 40.410 40.800 0.012 0.000 0.958 578 D HN 0.152 nan 8.370 nan 0.000 0.501 579 S N 1.650 117.364 115.700 0.023 0.000 2.564 579 S HA 0.319 4.789 4.470 0.000 0.000 0.278 579 S C -2.278 172.289 174.600 -0.056 0.000 1.333 579 S CA -0.838 57.365 58.200 0.005 0.000 1.048 579 S CB 0.853 64.077 63.200 0.039 0.000 0.900 579 S HN 0.170 nan 8.310 nan 0.000 0.505 580 P HA 0.173 nan 4.420 nan 0.000 0.268 580 P C -0.943 176.176 177.300 -0.303 0.000 1.204 580 P CA -0.428 62.536 63.100 -0.227 0.000 0.768 580 P CB 0.331 31.864 31.700 -0.278 0.000 0.842 581 L N 5.110 126.122 121.223 -0.352 0.000 2.272 581 L HA 0.300 4.640 4.340 0.000 0.000 0.289 581 L C -0.310 176.232 176.870 -0.547 0.000 1.032 581 L CA -0.228 54.394 54.840 -0.364 0.000 0.810 581 L CB 0.013 41.920 42.059 -0.254 0.000 1.205 581 L HN 0.408 nan 8.230 nan 0.000 0.422 582 H N 4.771 123.502 119.070 -0.565 0.000 2.527 582 H HA 0.493 5.049 4.556 0.001 0.000 0.321 582 H C -0.898 174.084 175.328 -0.576 0.000 1.087 582 H CA -0.580 55.060 56.048 -0.680 0.000 1.337 582 H CB 1.646 30.671 29.762 -1.229 0.000 1.440 582 H HN 0.374 nan 8.280 nan 0.000 0.490 583 V N 5.163 124.934 119.914 -0.238 0.000 2.531 583 V HA 0.176 4.296 4.120 0.000 0.000 0.301 583 V C -0.504 175.559 176.094 -0.052 0.000 1.034 583 V CA -0.754 61.457 62.300 -0.148 0.000 0.865 583 V CB 2.037 33.770 31.823 -0.149 0.000 0.995 583 V HN 0.417 nan 8.190 nan 0.000 0.424 584 L N 5.131 126.359 121.223 0.008 0.000 2.406 584 L HA 0.643 4.983 4.340 0.000 0.000 0.272 584 L C -0.333 176.555 176.870 0.029 0.000 0.980 584 L CA -0.386 54.480 54.840 0.042 0.000 0.831 584 L CB 1.650 43.772 42.059 0.104 0.000 1.253 584 L HN 0.727 nan 8.230 nan 0.000 0.406 585 R N 4.277 124.786 120.500 0.016 0.000 2.254 585 R HA 0.574 4.914 4.340 0.000 0.000 0.318 585 R C -1.044 175.272 176.300 0.026 0.000 1.031 585 R CA -0.209 55.902 56.100 0.018 0.000 0.905 585 R CB 0.810 31.112 30.300 0.004 0.000 1.050 585 R HN 0.877 nan 8.270 nan 0.000 0.456 586 E N 1.875 122.103 120.200 0.047 0.000 2.408 586 E HA 0.337 4.688 4.350 0.000 0.000 0.275 586 E C -1.466 175.175 176.600 0.068 0.000 0.935 586 E CA -1.057 55.369 56.400 0.043 0.000 0.775 586 E CB 2.003 31.719 29.700 0.027 0.000 1.277 586 E HN 0.298 nan 8.360 nan 0.000 0.455 587 T N 1.611 116.191 114.554 0.042 0.000 2.779 587 T HA 0.469 4.819 4.350 0.000 0.000 0.280 587 T C -0.548 174.177 174.700 0.041 0.000 0.987 587 T CA -0.730 61.399 62.100 0.049 0.000 0.966 587 T CB 0.694 69.573 68.868 0.019 0.000 0.933 587 T HN 0.290 nan 8.240 nan 0.000 0.442 588 R N 1.717 122.263 120.500 0.076 0.000 2.740 588 R HA 0.776 5.116 4.340 0.000 0.000 0.282 588 R C -0.798 175.511 176.300 0.015 0.000 0.969 588 R CA -0.824 55.284 56.100 0.014 0.000 0.918 588 R CB 2.090 32.356 30.300 -0.057 0.000 1.175 588 R HN 0.509 nan 8.270 nan 0.000 0.464 589 S N -0.270 115.417 115.700 -0.021 0.000 2.570 589 S HA 0.897 5.367 4.470 0.000 0.000 0.286 589 S C -0.745 173.828 174.600 -0.044 0.000 1.099 589 S CA -0.780 57.407 58.200 -0.021 0.000 0.913 589 S CB 2.362 65.554 63.200 -0.014 0.000 1.085 589 S HN 0.838 nan 8.310 nan 0.000 0.480 590 G N 0.825 109.594 108.800 -0.051 0.000 2.387 590 G HA2 0.518 4.478 3.960 0.000 0.000 0.294 590 G HA3 0.518 4.478 3.960 0.000 0.000 0.294 590 G C -1.235 173.618 174.900 -0.078 0.000 1.509 590 G CA -0.528 44.532 45.100 -0.068 0.000 0.806 590 G HN 0.892 nan 8.290 nan 0.000 0.546 591 S N -1.062 114.606 115.700 -0.053 0.000 2.621 591 S HA 0.509 4.979 4.470 0.000 0.000 0.302 591 S C 0.428 175.019 174.600 -0.016 0.000 1.093 591 S CA -0.731 57.468 58.200 -0.002 0.000 1.017 591 S CB 1.800 65.037 63.200 0.062 0.000 1.077 591 S HN 0.676 nan 8.310 nan 0.000 0.517 592 W N 1.167 122.516 121.300 0.082 0.000 2.392 592 W HA -0.058 4.603 4.660 0.000 0.000 0.279 592 W C 2.833 179.388 176.519 0.060 0.000 1.225 592 W CA 1.207 58.607 57.345 0.092 0.000 1.233 592 W CB -0.402 29.116 29.460 0.095 0.000 1.122 592 W HN 0.932 nan 8.180 nan 0.000 0.561 593 S N -0.568 115.271 115.700 0.232 0.000 2.442 593 S HA -0.094 4.377 4.470 0.000 0.000 0.236 593 S C 1.985 176.634 174.600 0.082 0.000 1.007 593 S CA 1.240 59.522 58.200 0.136 0.000 0.965 593 S CB -1.023 62.235 63.200 0.097 0.000 0.773 593 S HN 0.258 nan 8.310 nan 0.000 0.504 594 G N 0.982 109.816 108.800 0.056 0.000 2.534 594 G HA2 0.075 4.035 3.960 0.000 0.000 0.217 594 G HA3 0.075 4.035 3.960 0.000 0.000 0.217 594 G C 1.268 176.156 174.900 -0.020 0.000 1.128 594 G CA 0.832 45.934 45.100 0.002 0.000 0.784 594 G HN 0.996 nan 8.290 nan 0.000 0.542 595 V N -3.823 116.110 119.914 0.032 0.000 3.556 595 V HA 0.405 4.525 4.120 0.000 0.000 0.287 595 V C 0.018 176.158 176.094 0.077 0.000 1.422 595 V CA -0.283 62.026 62.300 0.015 0.000 1.038 595 V CB 0.231 32.089 31.823 0.059 0.000 0.850 595 V HN 0.156 nan 8.190 nan 0.000 0.437 596 N N 0.006 118.776 118.700 0.116 0.000 2.406 596 N HA 0.297 5.037 4.740 0.000 0.000 0.283 596 N C -0.098 175.458 175.510 0.076 0.000 1.074 596 N CA -0.377 52.733 53.050 0.099 0.000 0.916 596 N CB 2.517 41.098 38.487 0.155 0.000 1.639 596 N HN 0.069 nan 8.380 nan 0.000 0.485 597 I N 3.099 123.694 120.570 0.041 0.000 2.567 597 I HA -0.047 4.123 4.170 0.000 0.000 0.257 597 I C 1.048 177.187 176.117 0.037 0.000 1.184 597 I CA 1.394 62.714 61.300 0.034 0.000 1.451 597 I CB -0.098 37.915 38.000 0.021 0.000 1.089 597 I HN 0.473 nan 8.210 nan 0.000 0.441 598 N N 0.568 119.290 118.700 0.036 0.000 2.336 598 N HA 0.129 4.870 4.740 0.000 0.000 0.189 598 N C 0.922 176.457 175.510 0.041 0.000 1.113 598 N CA 0.552 53.617 53.050 0.025 0.000 0.858 598 N CB 0.022 38.508 38.487 -0.003 0.000 0.970 598 N HN 0.379 nan 8.380 nan 0.000 0.471 599 G N 0.998 109.854 108.800 0.092 0.000 2.527 599 G HA2 0.223 4.184 3.960 0.000 0.000 0.248 599 G HA3 0.223 4.184 3.960 0.000 0.000 0.248 599 G C 0.393 175.378 174.900 0.141 0.000 1.231 599 G CA -0.313 44.879 45.100 0.153 0.000 0.838 599 G HN 0.178 nan 8.290 nan 0.000 0.570 600 S N 0.122 115.914 115.700 0.154 0.000 2.584 600 S HA 0.384 4.854 4.470 0.000 0.000 0.270 600 S C 1.355 176.047 174.600 0.153 0.000 1.346 600 S CA 0.118 58.396 58.200 0.130 0.000 1.018 600 S CB 1.585 64.856 63.200 0.117 0.000 0.899 600 S HN 1.270 nan 8.310 nan 0.000 0.542 601 A N 1.385 124.267 122.820 0.104 0.000 2.218 601 A HA 0.252 4.572 4.320 0.000 0.000 0.209 601 A C 1.091 178.727 177.584 0.086 0.000 1.168 601 A CA -0.016 52.072 52.037 0.086 0.000 0.804 601 A CB -0.936 18.098 19.000 0.057 0.000 0.834 601 A HN 0.829 nan 8.150 nan 0.000 0.482 602 T N 0.987 115.604 114.554 0.104 0.000 2.905 602 T HA 0.259 4.609 4.350 0.000 0.000 0.299 602 T C 0.071 174.830 174.700 0.099 0.000 1.024 602 T CA 0.270 62.430 62.100 0.099 0.000 1.151 602 T CB 0.788 69.726 68.868 0.117 0.000 0.987 602 T HN 0.033 nan 8.240 nan 0.000 0.535 603 V N 5.403 125.356 119.914 0.066 0.000 2.406 603 V HA 0.198 4.319 4.120 0.000 0.000 0.272 603 V C 0.308 176.431 176.094 0.049 0.000 1.043 603 V CA -0.554 61.773 62.300 0.044 0.000 0.915 603 V CB 1.203 33.042 31.823 0.027 0.000 0.988 603 V HN 0.732 nan 8.190 nan 0.000 0.466 604 Q N 3.939 123.760 119.800 0.035 0.000 2.245 604 Q HA 0.464 4.804 4.340 0.000 0.000 0.256 604 Q C -0.557 175.452 176.000 0.015 0.000 0.942 604 Q CA -0.270 55.557 55.803 0.040 0.000 0.896 604 Q CB 2.371 31.135 28.738 0.043 0.000 1.272 604 Q HN 0.778 nan 8.270 nan 0.000 0.442 605 Q N 2.281 122.096 119.800 0.024 0.000 2.321 605 Q HA 0.469 4.809 4.340 0.000 0.000 0.270 605 Q C -1.117 174.889 176.000 0.010 0.000 1.032 605 Q CA -0.598 55.215 55.803 0.017 0.000 0.784 605 Q CB 1.288 30.036 28.738 0.016 0.000 1.264 605 Q HN 0.364 nan 8.270 nan 0.000 0.448 606 R N 2.517 123.024 120.500 0.012 0.000 2.725 606 R HA 0.475 4.816 4.340 0.000 0.000 0.277 606 R C -1.111 175.151 176.300 -0.064 0.000 0.987 606 R CA -0.935 55.121 56.100 -0.074 0.000 0.901 606 R CB 1.566 31.763 30.300 -0.171 0.000 1.207 606 R HN 0.702 nan 8.270 nan 0.000 0.463 607 N N 1.405 119.991 118.700 -0.190 0.000 2.518 607 N HA 0.448 5.189 4.740 0.000 0.000 0.283 607 N C -0.774 174.514 175.510 -0.370 0.000 1.119 607 N CA 0.143 53.106 53.050 -0.144 0.000 0.983 607 N CB 0.682 39.098 38.487 -0.118 0.000 1.139 607 N HN 0.260 nan 8.380 nan 0.000 0.465 608 F N -0.075 119.761 119.950 -0.190 0.000 2.588 608 F HA 0.614 5.142 4.527 0.000 0.000 0.314 608 F C 0.115 175.817 175.800 -0.163 0.000 1.069 608 F CA -1.124 56.723 58.000 -0.254 0.000 0.931 608 F CB 1.539 40.322 39.000 -0.362 0.000 1.260 608 F HN 0.364 nan 8.300 nan 0.000 0.465 609 A N 1.145 123.969 122.820 0.006 0.000 2.276 609 A HA 0.759 5.079 4.320 0.000 0.000 0.316 609 A C -0.793 176.813 177.584 0.037 0.000 1.229 609 A CA -0.394 51.644 52.037 0.002 0.000 0.851 609 A CB 0.489 19.462 19.000 -0.047 0.000 1.165 609 A HN 0.673 nan 8.150 nan 0.000 0.513 610 T N 3.334 117.922 114.554 0.056 0.000 2.847 610 T HA 0.536 4.886 4.350 0.000 0.000 0.291 610 T C -0.932 173.794 174.700 0.042 0.000 0.998 610 T CA -0.116 62.046 62.100 0.104 0.000 0.967 610 T CB 0.447 69.410 68.868 0.158 0.000 0.954 610 T HN 0.384 nan 8.240 nan 0.000 0.441 611 L N 4.821 126.010 121.223 -0.057 0.000 2.333 611 L HA 0.729 5.070 4.340 0.000 0.000 0.280 611 L C -0.682 176.127 176.870 -0.102 0.000 1.004 611 L CA -0.845 53.886 54.840 -0.182 0.000 0.820 611 L CB 0.891 42.686 42.059 -0.440 0.000 1.247 611 L HN 0.746 nan 8.230 nan 0.000 0.416 612 Y N 0.630 120.801 120.300 -0.216 0.000 2.609 612 Y HA 0.839 5.390 4.550 0.001 0.000 0.336 612 Y C -1.299 174.511 175.900 -0.150 0.000 1.129 612 Y CA -1.523 56.441 58.100 -0.227 0.000 1.040 612 Y CB 1.179 39.506 38.460 -0.221 0.000 1.310 612 Y HN 0.139 nan 8.280 nan 0.000 0.460 613 V N 2.635 122.480 119.914 -0.116 0.000 2.472 613 V HA 0.335 4.455 4.120 0.000 0.000 0.290 613 V C -0.680 175.310 176.094 -0.173 0.000 1.037 613 V CA -0.677 61.527 62.300 -0.161 0.000 0.908 613 V CB 1.524 33.203 31.823 -0.239 0.000 0.985 613 V HN 0.776 nan 8.190 nan 0.000 0.454 614 N N 2.631 121.244 118.700 -0.145 0.000 2.469 614 N HA 0.254 4.994 4.740 0.000 0.000 0.253 614 N C 0.624 176.027 175.510 -0.179 0.000 0.970 614 N CA -0.318 52.640 53.050 -0.152 0.000 0.940 614 N CB 0.688 39.064 38.487 -0.184 0.000 1.128 614 N HN 0.628 nan 8.380 nan 0.000 0.503 615 H N 2.485 121.578 119.070 0.039 0.000 2.551 615 H HA 0.162 4.718 4.556 0.001 0.000 0.266 615 H C 1.244 176.583 175.328 0.019 0.000 0.977 615 H CA 0.784 56.855 56.048 0.040 0.000 1.163 615 H CB 0.093 29.881 29.762 0.043 0.000 1.381 615 H HN 0.785 nan 8.280 nan 0.000 0.581 616 G N 0.511 109.358 108.800 0.079 0.000 2.741 616 G HA2 -0.265 3.695 3.960 0.000 0.000 0.222 616 G HA3 -0.265 3.695 3.960 0.000 0.000 0.222 616 G C -0.384 174.537 174.900 0.035 0.000 1.364 616 G CA -0.220 44.904 45.100 0.039 0.000 0.866 616 G HN 0.202 nan 8.290 nan 0.000 0.555 617 V N 1.296 121.218 119.914 0.014 0.000 2.649 617 V HA 0.530 4.650 4.120 0.000 0.000 0.292 617 V C 1.808 177.908 176.094 0.011 0.000 1.055 617 V CA 1.504 63.807 62.300 0.006 0.000 1.023 617 V CB 0.758 32.578 31.823 -0.005 0.000 0.992 617 V HN 2.756 nan 8.190 nan 0.000 0.480 618 G N 4.921 113.724 108.800 0.005 0.000 2.356 618 G HA2 -0.164 3.796 3.960 0.000 0.000 0.296 618 G HA3 -0.164 3.796 3.960 0.000 0.000 0.296 618 G C -1.360 173.544 174.900 0.007 0.000 1.022 618 G CA -0.191 44.910 45.100 0.002 0.000 0.961 618 G HN 0.671 nan 8.290 nan 0.000 0.510 619 P HA 0.327 nan 4.420 nan 0.000 0.265 619 P C -0.018 177.278 177.300 -0.006 0.000 1.193 619 P CA 0.050 63.160 63.100 0.016 0.000 0.765 619 P CB 1.418 33.132 31.700 0.023 0.000 0.823 620 V N 2.781 122.692 119.914 -0.005 0.000 2.334 620 V HA 0.442 4.562 4.120 0.000 0.000 0.281 620 V C 0.752 176.832 176.094 -0.024 0.000 1.016 620 V CA -0.161 62.130 62.300 -0.016 0.000 0.832 620 V CB 0.450 32.268 31.823 -0.008 0.000 0.999 620 V HN 0.871 nan 8.190 nan 0.000 0.439 621 A N 3.667 126.460 122.820 -0.045 0.000 2.610 621 A HA -0.112 4.208 4.320 0.000 0.000 0.299 621 A C 1.004 178.552 177.584 -0.060 0.000 1.487 621 A CA 0.658 52.657 52.037 -0.062 0.000 0.743 621 A CB -1.488 17.483 19.000 -0.048 0.000 1.070 621 A HN 1.618 nan 8.150 nan 0.000 0.439 622 G N -0.400 108.355 108.800 -0.075 0.000 2.636 622 G HA2 0.632 4.592 3.960 0.000 0.000 0.246 622 G HA3 0.632 4.592 3.960 0.000 0.000 0.246 622 G C 0.300 175.137 174.900 -0.105 0.000 1.216 622 G CA 0.726 45.792 45.100 -0.057 0.000 0.854 622 G HN 2.249 nan 8.290 nan 0.000 0.572 623 S N -0.849 114.863 115.700 0.021 0.000 2.625 623 S HA 0.781 5.251 4.470 0.000 0.000 0.271 623 S C -1.109 173.633 174.600 0.237 0.000 1.161 623 S CA -0.856 57.337 58.200 -0.012 0.000 0.820 623 S CB 1.793 64.966 63.200 -0.045 0.000 1.137 623 S HN 1.598 nan 8.310 nan 0.000 0.470 624 Y N -1.828 118.568 120.300 0.160 0.000 2.625 624 Y HA 0.926 5.476 4.550 0.000 0.000 0.338 624 Y C -1.062 174.923 175.900 0.143 0.000 1.123 624 Y CA -1.102 57.123 58.100 0.209 0.000 1.046 624 Y CB 1.143 39.794 38.460 0.317 0.000 1.299 624 Y HN 1.323 nan 8.280 nan 0.000 0.464 625 A N 2.178 125.249 122.820 0.419 0.000 2.485 625 A HA 0.679 4.999 4.320 0.000 0.000 0.285 625 A C -2.002 175.797 177.584 0.360 0.000 1.045 625 A CA -0.569 51.625 52.037 0.263 0.000 0.792 625 A CB 0.114 19.180 19.000 0.111 0.000 1.307 625 A HN 1.435 nan 8.150 nan 0.000 0.406 626 Y N -0.268 120.169 120.300 0.227 0.000 2.705 626 Y HA 0.864 5.414 4.550 0.000 0.000 0.332 626 Y C -0.813 175.182 175.900 0.158 0.000 1.221 626 Y CA -1.322 56.880 58.100 0.170 0.000 1.059 626 Y CB 1.259 39.810 38.460 0.151 0.000 1.298 626 Y HN 0.913 nan 8.280 nan 0.000 0.459 627 M N 1.118 120.884 119.600 0.278 0.000 2.575 627 M HA 0.885 5.366 4.480 0.000 0.000 0.284 627 M C -2.233 174.193 176.300 0.211 0.000 1.253 627 M CA -1.077 54.291 55.300 0.112 0.000 0.861 627 M CB 2.656 35.215 32.600 -0.069 0.000 1.733 627 M HN 0.451 nan 8.290 nan 0.000 0.462 628 V N 1.443 121.396 119.914 0.066 0.000 2.656 628 V HA 0.861 4.981 4.120 0.000 0.000 0.307 628 V C -0.435 175.446 176.094 -0.354 0.000 1.051 628 V CA -0.585 61.646 62.300 -0.115 0.000 0.893 628 V CB 1.684 33.396 31.823 -0.185 0.000 0.999 628 V HN 1.000 nan 8.190 nan 0.000 0.426 629 A N 5.912 128.447 122.820 -0.475 0.000 2.978 629 A HA 0.738 5.059 4.320 0.000 0.000 0.341 629 A C -2.715 174.453 177.584 -0.693 0.000 1.105 629 A CA -1.529 50.216 52.037 -0.486 0.000 0.819 629 A CB 0.403 19.219 19.000 -0.307 0.000 1.080 629 A HN 0.575 nan 8.150 nan 0.000 0.476 630 P HA 0.263 nan 4.420 nan 0.000 0.268 630 P C 1.140 178.078 177.300 -0.602 0.000 1.204 630 P CA 1.825 64.288 63.100 -1.062 0.000 0.768 630 P CB 0.960 32.169 31.700 -0.820 0.000 0.842 631 G N 1.736 110.206 108.800 -0.550 0.000 2.205 631 G HA2 -0.216 3.744 3.960 0.000 0.000 0.261 631 G HA3 -0.216 3.744 3.960 0.000 0.000 0.261 631 G C 0.421 175.230 174.900 -0.151 0.000 0.980 631 G CA 0.097 45.062 45.100 -0.225 0.000 0.632 631 G HN 0.881 nan 8.290 nan 0.000 0.533 632 A N 0.675 123.371 122.820 -0.206 0.000 2.477 632 A HA 0.666 4.986 4.320 0.000 0.000 0.246 632 A C 1.128 178.725 177.584 0.022 0.000 1.078 632 A CA 1.031 53.008 52.037 -0.099 0.000 0.770 632 A CB 0.258 19.180 19.000 -0.132 0.000 1.011 632 A HN 2.006 nan 8.150 nan 0.000 0.494 633 S N 1.753 117.438 115.700 -0.025 0.000 2.608 633 S HA 0.214 4.684 4.470 0.000 0.000 0.261 633 S C 1.203 175.637 174.600 -0.277 0.000 1.314 633 S CA -0.116 58.026 58.200 -0.098 0.000 0.992 633 S CB 0.648 63.782 63.200 -0.110 0.000 0.935 633 S HN 0.757 nan 8.310 nan 0.000 0.564 634 V N 1.201 120.758 119.914 -0.594 0.000 2.332 634 V HA -0.181 3.939 4.120 0.000 0.000 0.248 634 V C 2.225 178.071 176.094 -0.414 0.000 1.055 634 V CA 2.357 64.315 62.300 -0.569 0.000 1.038 634 V CB -1.045 30.528 31.823 -0.417 0.000 0.651 634 V HN 0.831 nan 8.190 nan 0.000 0.450 635 D N -0.427 119.805 120.400 -0.280 0.000 2.117 635 D HA -0.114 4.526 4.640 0.000 0.000 0.198 635 D C 1.913 178.067 176.300 -0.243 0.000 0.982 635 D CA 0.973 54.835 54.000 -0.230 0.000 0.828 635 D CB -0.225 40.492 40.800 -0.138 0.000 0.967 635 D HN 0.321 nan 8.370 nan 0.000 0.464 636 L N 0.609 121.715 121.223 -0.196 0.000 2.109 636 L HA -0.066 4.274 4.340 0.000 0.000 0.207 636 L C 2.163 178.909 176.870 -0.206 0.000 1.086 636 L CA 1.481 56.231 54.840 -0.150 0.000 0.760 636 L CB -0.691 41.314 42.059 -0.090 0.000 0.910 636 L HN -0.053 nan 8.230 nan 0.000 0.437 637 T N -0.742 113.644 114.554 -0.280 0.000 2.708 637 T HA -0.234 4.117 4.350 0.000 0.000 0.266 637 T C 1.978 176.267 174.700 -0.686 0.000 1.037 637 T CA 1.538 63.435 62.100 -0.338 0.000 1.146 637 T CB -0.269 68.474 68.868 -0.209 0.000 0.865 637 T HN 0.317 nan 8.240 nan 0.000 0.435 638 R N 1.228 121.053 120.500 -1.126 0.000 2.139 638 R HA -0.106 4.234 4.340 0.000 0.000 0.243 638 R C 1.816 177.804 176.300 -0.520 0.000 1.145 638 R CA 1.473 56.788 56.100 -1.308 0.000 0.976 638 R CB -0.045 29.741 30.300 -0.857 0.000 0.866 638 R HN 0.315 nan 8.270 nan 0.000 0.449 639 K N 0.043 120.255 120.400 -0.313 0.000 2.393 639 K HA 0.073 4.393 4.320 0.000 0.000 0.193 639 K C 1.824 178.402 176.600 -0.038 0.000 1.026 639 K CA 0.069 56.278 56.287 -0.128 0.000 1.064 639 K CB 0.221 32.664 32.500 -0.094 0.000 0.833 639 K HN 0.169 nan 8.250 nan 0.000 0.521 640 L N 0.745 121.951 121.223 -0.028 0.000 2.043 640 L HA -0.207 4.134 4.340 0.000 0.000 0.212 640 L C 1.796 178.790 176.870 0.207 0.000 1.075 640 L CA 1.393 56.321 54.840 0.147 0.000 0.752 640 L CB -0.363 41.756 42.059 0.100 0.000 0.891 640 L HN 0.206 nan 8.230 nan 0.000 0.432 641 L N -0.944 120.356 121.223 0.129 0.000 2.627 641 L HA 0.052 4.392 4.340 0.000 0.000 0.233 641 L C 0.363 177.280 176.870 0.078 0.000 1.144 641 L CA -0.113 54.808 54.840 0.134 0.000 0.892 641 L CB -0.222 41.928 42.059 0.152 0.000 1.039 641 L HN 0.151 nan 8.230 nan 0.000 0.442 642 E N 0.214 120.440 120.200 0.045 0.000 2.231 642 E HA 0.406 4.756 4.350 0.000 0.000 0.277 642 E C 0.884 177.474 176.600 -0.018 0.000 0.999 642 E CA 0.130 56.538 56.400 0.014 0.000 0.827 642 E CB 1.526 31.229 29.700 0.005 0.000 1.101 642 E HN 0.147 nan 8.360 nan 0.000 0.393 643 G N 2.880 111.665 108.800 -0.024 0.000 2.148 643 G HA2 -0.398 3.562 3.960 0.000 0.000 0.254 643 G HA3 -0.398 3.562 3.960 0.000 0.000 0.254 643 G C 0.539 175.393 174.900 -0.076 0.000 0.981 643 G CA 0.465 45.537 45.100 -0.047 0.000 0.670 643 G HN 0.665 nan 8.290 nan 0.000 0.528 644 N N -0.699 117.960 118.700 -0.070 0.000 2.716 644 N HA -0.190 4.551 4.740 0.000 0.000 0.250 644 N C 1.441 176.837 175.510 -0.189 0.000 1.033 644 N CA 1.934 54.928 53.050 -0.093 0.000 0.727 644 N CB -0.863 37.584 38.487 -0.068 0.000 0.950 644 N HN 0.800 nan 8.380 nan 0.000 0.541 645 K N -0.890 119.325 120.400 -0.309 0.000 2.097 645 K HA -0.126 4.195 4.320 0.000 0.000 0.206 645 K C -0.110 175.962 176.600 -0.881 0.000 1.049 645 K CA 1.312 57.216 56.287 -0.638 0.000 0.933 645 K CB -0.007 31.931 32.500 -0.936 0.000 0.717 645 K HN 0.491 nan 8.250 nan 0.000 0.442 646 Y N -0.004 120.245 120.300 -0.086 0.000 2.686 646 Y HA 0.195 4.745 4.550 0.000 0.000 0.331 646 Y C -0.345 175.438 175.900 -0.195 0.000 0.996 646 Y CA -0.762 57.215 58.100 -0.206 0.000 1.293 646 Y CB 1.647 40.023 38.460 -0.140 0.000 1.092 646 Y HN -0.223 nan 8.280 nan 0.000 0.524 647 S N 3.109 118.701 115.700 -0.181 0.000 2.415 647 S HA 0.388 4.858 4.470 0.000 0.000 0.313 647 S C -0.212 174.294 174.600 -0.157 0.000 1.067 647 S CA -0.553 57.565 58.200 -0.138 0.000 1.099 647 S CB -0.203 62.915 63.200 -0.137 0.000 0.991 647 S HN 0.397 nan 8.310 nan 0.000 0.491 648 V N 7.774 127.623 119.914 -0.109 0.000 2.529 648 V HA 0.098 4.218 4.120 0.000 0.000 0.292 648 V C 1.216 177.247 176.094 -0.105 0.000 1.028 648 V CA 0.550 62.780 62.300 -0.118 0.000 1.074 648 V CB 0.524 32.308 31.823 -0.066 0.000 0.958 648 V HN 0.898 nan 8.190 nan 0.000 0.481 649 I N 3.425 123.916 120.570 -0.132 0.000 2.729 649 I HA 0.239 4.409 4.170 0.000 0.000 0.256 649 I C 1.127 177.202 176.117 -0.071 0.000 1.115 649 I CA 0.528 61.771 61.300 -0.094 0.000 1.446 649 I CB 0.257 38.195 38.000 -0.105 0.000 1.176 649 I HN 0.563 nan 8.210 nan 0.000 0.446 650 R N 0.663 121.108 120.500 -0.092 0.000 2.643 650 R HA 0.330 4.670 4.340 0.000 0.000 0.269 650 R C -1.682 174.580 176.300 -0.064 0.000 1.037 650 R CA -0.502 55.559 56.100 -0.064 0.000 0.894 650 R CB 1.515 31.779 30.300 -0.060 0.000 1.238 650 R HN -0.048 nan 8.270 nan 0.000 0.459 651 N N 2.296 120.973 118.700 -0.040 0.000 2.751 651 N HA 0.185 4.925 4.740 0.000 0.000 0.238 651 N C -2.183 173.305 175.510 -0.035 0.000 1.351 651 N CA -0.380 52.648 53.050 -0.037 0.000 0.751 651 N CB 0.726 39.179 38.487 -0.056 0.000 1.342 651 N HN 0.732 nan 8.380 nan 0.000 0.540 652 D N -0.332 120.064 120.400 -0.007 0.000 2.921 652 D HA 0.376 5.016 4.640 0.000 0.000 0.329 652 D C 0.427 176.734 176.300 0.011 0.000 1.293 652 D CA -0.375 53.615 54.000 -0.017 0.000 0.964 652 D CB 0.165 40.961 40.800 -0.006 0.000 1.435 652 D HN 0.041 nan 8.370 nan 0.000 0.548 653 A N -0.806 122.004 122.820 -0.017 0.000 2.172 653 A HA 0.047 4.368 4.320 0.000 0.000 0.216 653 A C 1.696 179.353 177.584 0.122 0.000 1.154 653 A CA 1.891 53.906 52.037 -0.037 0.000 0.701 653 A CB -0.914 18.048 19.000 -0.063 0.000 0.789 653 A HN 0.548 nan 8.150 nan 0.000 0.465 654 T N -0.575 114.074 114.554 0.159 0.000 2.901 654 T HA 0.471 4.822 4.350 0.000 0.000 0.252 654 T C 0.754 175.617 174.700 0.271 0.000 1.035 654 T CA 1.212 63.447 62.100 0.225 0.000 1.142 654 T CB -0.015 68.945 68.868 0.154 0.000 0.869 654 T HN 0.737 nan 8.240 nan 0.000 0.442 655 A N 0.307 123.219 122.820 0.153 0.000 2.612 655 A HA 0.713 5.033 4.320 0.000 0.000 0.293 655 A C -1.894 175.673 177.584 -0.027 0.000 1.075 655 A CA -0.830 51.155 52.037 -0.086 0.000 0.680 655 A CB 1.300 19.986 19.000 -0.523 0.000 1.279 655 A HN 0.230 nan 8.150 nan 0.000 0.411 656 Q N 0.214 119.976 119.800 -0.062 0.000 2.323 656 Q HA 0.707 5.047 4.340 0.000 0.000 0.271 656 Q C -1.039 174.901 176.000 -0.101 0.000 1.048 656 Q CA -0.560 55.265 55.803 0.037 0.000 0.792 656 Q CB 2.308 31.202 28.738 0.260 0.000 1.280 656 Q HN 0.775 nan 8.270 nan 0.000 0.441 657 S N 1.516 117.042 115.700 -0.289 0.000 2.537 657 S HA 0.709 5.179 4.470 0.000 0.000 0.270 657 S C -2.008 172.246 174.600 -0.576 0.000 1.142 657 S CA -0.600 57.276 58.200 -0.541 0.000 0.870 657 S CB 1.971 64.979 63.200 -0.320 0.000 1.112 657 S HN 0.401 nan 8.310 nan 0.000 0.466 658 V N 3.296 122.758 119.914 -0.754 0.000 2.971 658 V HA 0.684 4.804 4.120 0.000 0.000 0.309 658 V C -1.017 174.784 176.094 -0.488 0.000 1.130 658 V CA -0.549 61.411 62.300 -0.567 0.000 0.964 658 V CB 1.959 33.403 31.823 -0.631 0.000 1.029 658 V HN 0.993 nan 8.190 nan 0.000 0.427 659 E N 4.174 124.139 120.200 -0.391 0.000 2.166 659 E HA 0.450 4.801 4.350 0.000 0.000 0.275 659 E C -1.620 174.762 176.600 -0.363 0.000 0.941 659 E CA -0.635 55.586 56.400 -0.298 0.000 0.784 659 E CB 1.247 30.834 29.700 -0.187 0.000 1.115 659 E HN 0.583 nan 8.360 nan 0.000 0.399 660 F N 4.632 124.539 119.950 -0.072 0.000 2.375 660 F HA 0.205 4.732 4.527 0.000 0.000 0.362 660 F C 1.504 177.251 175.800 -0.089 0.000 1.129 660 F CA -0.330 57.652 58.000 -0.031 0.000 1.154 660 F CB 1.051 40.081 39.000 0.050 0.000 1.205 660 F HN 0.566 nan 8.300 nan 0.000 0.513 661 K N 1.280 121.655 120.400 -0.042 0.000 2.002 661 K HA -0.158 4.162 4.320 0.000 0.000 0.209 661 K C 1.742 178.333 176.600 -0.015 0.000 1.048 661 K CA 2.004 58.253 56.287 -0.063 0.000 0.930 661 K CB -0.044 32.378 32.500 -0.130 0.000 0.714 661 K HN 0.624 nan 8.250 nan 0.000 0.438 662 T N 0.412 114.964 114.554 -0.003 0.000 2.746 662 T HA -0.094 4.256 4.350 0.000 0.000 0.267 662 T C 1.695 176.421 174.700 0.044 0.000 1.039 662 T CA 1.377 63.489 62.100 0.021 0.000 1.142 662 T CB -0.224 68.663 68.868 0.031 0.000 0.866 662 T HN 0.423 nan 8.240 nan 0.000 0.444 663 A N 0.670 123.537 122.820 0.079 0.000 2.235 663 A HA 0.154 4.474 4.320 0.000 0.000 0.208 663 A C 0.903 178.505 177.584 0.028 0.000 1.172 663 A CA 0.284 52.359 52.037 0.063 0.000 0.786 663 A CB -0.412 18.623 19.000 0.058 0.000 0.804 663 A HN 0.553 nan 8.150 nan 0.000 0.479 664 K N 0.083 120.492 120.400 0.015 0.000 3.156 664 K HA -0.148 4.172 4.320 0.000 0.000 0.266 664 K C -0.794 175.762 176.600 -0.073 0.000 0.966 664 K CA 1.073 57.338 56.287 -0.036 0.000 0.719 664 K CB -2.128 30.330 32.500 -0.069 0.000 1.333 664 K HN 0.462 nan 8.250 nan 0.000 0.468 665 T N 0.133 114.668 114.554 -0.031 0.000 2.916 665 T HA 0.327 4.677 4.350 0.000 0.000 0.298 665 T C -0.368 174.259 174.700 -0.122 0.000 1.031 665 T CA -0.604 61.442 62.100 -0.091 0.000 0.993 665 T CB 2.122 70.987 68.868 -0.006 0.000 1.045 665 T HN 0.022 nan 8.240 nan 0.000 0.454 666 T N 2.348 116.622 114.554 -0.467 0.000 2.855 666 T HA 0.788 5.139 4.350 0.000 0.000 0.281 666 T C -0.558 173.916 174.700 -0.376 0.000 1.007 666 T CA -0.598 61.177 62.100 -0.541 0.000 1.009 666 T CB 1.488 69.748 68.868 -1.014 0.000 0.983 666 T HN 0.800 nan 8.240 nan 0.000 0.455 667 A N 1.695 124.395 122.820 -0.201 0.000 2.401 667 A HA 0.979 5.300 4.320 0.000 0.000 0.310 667 A C -0.822 176.642 177.584 -0.200 0.000 1.075 667 A CA -0.812 51.199 52.037 -0.044 0.000 0.746 667 A CB 1.412 20.556 19.000 0.240 0.000 1.277 667 A HN 1.169 nan 8.150 nan 0.000 0.425 668 A N 0.698 123.568 122.820 0.084 0.000 2.574 668 A HA 0.878 5.198 4.320 0.000 0.000 0.297 668 A C -0.374 177.343 177.584 0.222 0.000 1.062 668 A CA 0.049 52.100 52.037 0.024 0.000 0.686 668 A CB 1.279 20.252 19.000 -0.045 0.000 1.285 668 A HN 1.880 nan 8.150 nan 0.000 0.403 669 T N -1.154 113.463 114.554 0.104 0.000 2.863 669 T HA 0.779 5.129 4.350 0.000 0.000 0.285 669 T C -0.981 173.487 174.700 -0.387 0.000 1.009 669 T CA -0.396 61.714 62.100 0.016 0.000 0.989 669 T CB 0.831 69.742 68.868 0.072 0.000 1.004 669 T HN 0.370 nan 8.240 nan 0.000 0.455 670 F N 1.451 121.295 119.950 -0.176 0.000 2.467 670 F HA 0.500 5.027 4.527 0.001 0.000 0.336 670 F C 0.122 175.819 175.800 -0.172 0.000 1.123 670 F CA -1.115 56.797 58.000 -0.148 0.000 0.964 670 F CB 1.559 40.529 39.000 -0.050 0.000 1.136 670 F HN 0.718 nan 8.300 nan 0.000 0.447 671 W N 1.198 122.752 121.300 0.423 0.000 2.683 671 W HA 0.269 4.929 4.660 0.000 0.000 0.267 671 W C 0.194 176.874 176.519 0.269 0.000 1.243 671 W CA -0.008 57.545 57.345 0.347 0.000 1.380 671 W CB 0.375 29.887 29.460 0.087 0.000 1.063 671 W HN 0.131 nan 8.180 nan 0.000 0.599 672 K N -0.582 120.062 120.400 0.406 0.000 2.480 672 K HA 0.339 4.660 4.320 0.000 0.000 0.258 672 K C -2.765 173.977 176.600 0.236 0.000 0.990 672 K CA -2.203 54.246 56.287 0.271 0.000 0.857 672 K CB 1.769 34.400 32.500 0.218 0.000 1.384 672 K HN -0.545 nan 8.250 nan 0.000 0.446 673 P HA 0.148 nan 4.420 nan 0.000 0.265 673 P C -0.458 176.921 177.300 0.132 0.000 1.193 673 P CA 0.173 63.327 63.100 0.091 0.000 0.765 673 P CB 0.722 32.452 31.700 0.050 0.000 0.823 674 G N 1.662 110.543 108.800 0.135 0.000 2.327 674 G HA2 0.386 4.346 3.960 0.000 0.000 0.291 674 G HA3 0.386 4.346 3.960 0.000 0.000 0.291 674 G C -1.882 173.176 174.900 0.262 0.000 1.290 674 G CA -0.718 44.492 45.100 0.182 0.000 0.857 674 G HN 0.305 nan 8.290 nan 0.000 0.520 675 M N 0.391 120.145 119.600 0.257 0.000 2.456 675 M HA 0.698 5.179 4.480 0.000 0.000 0.324 675 M C -0.228 176.229 176.300 0.261 0.000 1.124 675 M CA -0.783 54.681 55.300 0.274 0.000 0.959 675 M CB 1.790 34.475 32.600 0.141 0.000 1.692 675 M HN 1.202 nan 8.290 nan 0.000 0.444 676 A N 2.068 125.055 122.820 0.277 0.000 2.360 676 A HA 0.712 5.032 4.320 0.000 0.000 0.309 676 A C 0.608 178.262 177.584 0.117 0.000 1.311 676 A CA 0.220 52.309 52.037 0.087 0.000 0.805 676 A CB 0.259 19.191 19.000 -0.113 0.000 1.144 676 A HN 1.149 nan 8.150 nan 0.000 0.486 677 G N 2.825 111.672 108.800 0.078 0.000 2.561 677 G HA2 -0.312 3.648 3.960 0.000 0.000 0.289 677 G HA3 -0.312 3.648 3.960 0.000 0.000 0.289 677 G C 0.387 175.348 174.900 0.101 0.000 1.169 677 G CA 0.866 46.016 45.100 0.085 0.000 0.980 677 G HN 1.354 nan 8.290 nan 0.000 0.550 678 D N 0.280 120.750 120.400 0.116 0.000 2.342 678 D HA 0.415 5.056 4.640 0.000 0.000 0.221 678 D C 0.708 177.038 176.300 0.048 0.000 1.101 678 D CA 0.029 54.077 54.000 0.080 0.000 0.837 678 D CB 0.351 41.192 40.800 0.068 0.000 0.938 678 D HN 0.552 nan 8.370 nan 0.000 0.508 679 L N 0.974 122.260 121.223 0.104 0.000 2.282 679 L HA 0.714 5.054 4.340 0.000 0.000 0.288 679 L C 0.051 177.016 176.870 0.159 0.000 1.033 679 L CA -0.323 54.564 54.840 0.079 0.000 0.807 679 L CB 1.672 43.853 42.059 0.203 0.000 1.209 679 L HN 0.040 nan 8.230 nan 0.000 0.423 680 G N 3.292 112.080 108.800 -0.020 0.000 2.473 680 G HA2 0.839 4.800 3.960 0.000 0.000 0.321 680 G HA3 0.839 4.800 3.960 0.000 0.000 0.321 680 G C -1.717 172.899 174.900 -0.473 0.000 1.200 680 G CA -0.261 44.761 45.100 -0.129 0.000 0.963 680 G HN 0.985 nan 8.290 nan 0.000 0.483 681 A N -0.108 122.278 122.820 -0.722 0.000 2.475 681 A HA 0.665 4.986 4.320 0.000 0.000 0.301 681 A C 0.811 178.185 177.584 -0.351 0.000 1.059 681 A CA 0.192 51.806 52.037 -0.705 0.000 0.710 681 A CB 1.542 19.777 19.000 -1.275 0.000 1.288 681 A HN 1.511 nan 8.150 nan 0.000 0.408 682 S N 0.511 116.073 115.700 -0.230 0.000 2.562 682 S HA 0.464 4.934 4.470 0.000 0.000 0.221 682 S C 0.860 175.415 174.600 -0.076 0.000 0.975 682 S CA 0.730 58.859 58.200 -0.118 0.000 0.918 682 S CB -0.187 62.957 63.200 -0.093 0.000 0.772 682 S HN 2.164 nan 8.310 nan 0.000 0.531 683 G N 0.396 109.136 108.800 -0.100 0.000 2.428 683 G HA2 0.497 4.458 3.960 0.000 0.000 0.304 683 G HA3 0.497 4.458 3.960 0.000 0.000 0.304 683 G C -3.512 171.363 174.900 -0.043 0.000 1.303 683 G CA -1.177 43.905 45.100 -0.030 0.000 0.825 683 G HN 0.000 nan 8.290 nan 0.000 0.484 684 P HA 0.384 nan 4.420 nan 0.000 0.263 684 P C -0.201 176.900 177.300 -0.332 0.000 1.175 684 P CA 0.997 64.010 63.100 -0.146 0.000 0.761 684 P CB 0.975 32.506 31.700 -0.282 0.000 0.794 685 A N 2.543 125.151 122.820 -0.354 0.000 2.594 685 A HA 0.538 4.858 4.320 0.000 0.000 0.296 685 A C -1.313 176.161 177.584 -0.184 0.000 1.061 685 A CA -0.421 51.454 52.037 -0.270 0.000 0.689 685 A CB 0.825 19.735 19.000 -0.149 0.000 1.280 685 A HN 0.494 nan 8.150 nan 0.000 0.406 686 C N 1.389 120.594 119.300 -0.159 0.000 2.351 686 C HA 0.805 5.266 4.460 0.000 0.000 0.326 686 C C -0.066 174.982 174.990 0.096 0.000 1.272 686 C CA -0.452 58.584 59.018 0.029 0.000 1.650 686 C CB 0.564 28.311 27.740 0.012 0.000 2.257 686 C HN 0.681 nan 8.230 nan 0.000 0.505 687 V N 3.794 123.828 119.914 0.200 0.000 2.760 687 V HA 0.668 4.788 4.120 0.000 0.000 0.309 687 V C -0.686 175.540 176.094 0.220 0.000 1.077 687 V CA -0.485 61.938 62.300 0.205 0.000 0.910 687 V CB 1.954 33.941 31.823 0.274 0.000 1.008 687 V HN 0.645 nan 8.190 nan 0.000 0.424 688 V N 5.045 125.068 119.914 0.181 0.000 2.588 688 V HA 0.712 4.833 4.120 0.000 0.000 0.304 688 V C -0.761 175.447 176.094 0.190 0.000 1.042 688 V CA -0.551 61.831 62.300 0.136 0.000 0.877 688 V CB 1.547 33.426 31.823 0.093 0.000 0.996 688 V HN 0.846 nan 8.190 nan 0.000 0.425 689 F N 1.782 121.755 119.950 0.038 0.000 2.613 689 F HA 0.930 5.458 4.527 0.001 0.000 0.314 689 F C -0.498 175.300 175.800 -0.003 0.000 1.075 689 F CA -0.993 57.004 58.000 -0.005 0.000 0.945 689 F CB 2.178 41.154 39.000 -0.040 0.000 1.310 689 F HN 0.408 nan 8.300 nan 0.000 0.467 690 S N 1.500 117.310 115.700 0.183 0.000 2.562 690 S HA 0.460 4.930 4.470 0.000 0.000 0.274 690 S C -1.586 173.025 174.600 0.019 0.000 1.160 690 S CA -0.807 57.407 58.200 0.024 0.000 0.933 690 S CB 1.350 64.522 63.200 -0.047 0.000 1.100 690 S HN 1.074 nan 8.310 nan 0.000 0.468 691 R N 3.443 123.933 120.500 -0.018 0.000 2.368 691 R HA 0.443 4.783 4.340 0.000 0.000 0.302 691 R C -1.043 175.168 176.300 -0.149 0.000 1.002 691 R CA -0.405 55.710 56.100 0.025 0.000 0.929 691 R CB 0.500 30.902 30.300 0.170 0.000 1.073 691 R HN 0.766 nan 8.270 nan 0.000 0.464 692 H N 3.569 122.702 119.070 0.105 0.000 2.866 692 H HA 0.199 4.755 4.556 0.000 0.000 0.287 692 H C 0.785 176.181 175.328 0.113 0.000 1.106 692 H CA 0.119 56.221 56.048 0.090 0.000 1.396 692 H CB 1.686 31.487 29.762 0.064 0.000 1.469 692 H HN 1.058 nan 8.280 nan 0.000 0.500 693 G N 4.141 113.056 108.800 0.191 0.000 2.596 693 G HA2 -0.434 3.526 3.960 0.000 0.000 0.304 693 G HA3 -0.434 3.526 3.960 0.000 0.000 0.304 693 G C 0.934 175.958 174.900 0.206 0.000 1.189 693 G CA 0.700 45.896 45.100 0.160 0.000 0.986 693 G HN 0.672 nan 8.290 nan 0.000 0.548 694 N N 2.291 121.105 118.700 0.191 0.000 2.322 694 N HA 0.198 4.938 4.740 0.000 0.000 0.216 694 N C 0.115 175.851 175.510 0.376 0.000 1.144 694 N CA 0.918 54.100 53.050 0.220 0.000 0.830 694 N CB 0.338 38.893 38.487 0.113 0.000 1.034 694 N HN 0.792 nan 8.380 nan 0.000 0.484 695 E N 0.239 120.659 120.200 0.366 0.000 2.234 695 E HA 0.336 4.686 4.350 0.000 0.000 0.266 695 E C -1.547 175.105 176.600 0.086 0.000 0.877 695 E CA -0.950 55.614 56.400 0.273 0.000 0.758 695 E CB 2.234 32.031 29.700 0.162 0.000 1.170 695 E HN 0.029 nan 8.360 nan 0.000 0.415 696 L N 2.041 123.080 121.223 -0.308 0.000 2.305 696 L HA 0.416 4.757 4.340 0.000 0.000 0.284 696 L C -0.913 175.811 176.870 -0.243 0.000 1.013 696 L CA -0.140 54.387 54.840 -0.520 0.000 0.819 696 L CB 1.680 42.886 42.059 -1.422 0.000 1.227 696 L HN 0.348 nan 8.230 nan 0.000 0.417 697 S N 5.369 121.044 115.700 -0.043 0.000 2.489 697 S HA 0.839 5.309 4.470 0.000 0.000 0.291 697 S C -0.781 173.834 174.600 0.025 0.000 1.151 697 S CA -0.400 57.807 58.200 0.011 0.000 1.082 697 S CB 1.087 64.352 63.200 0.108 0.000 1.019 697 S HN 0.457 nan 8.310 nan 0.000 0.492 698 L N 1.923 123.148 121.223 0.003 0.000 2.422 698 L HA 0.815 5.155 4.340 0.000 0.000 0.264 698 L C -0.363 176.526 176.870 0.032 0.000 0.984 698 L CA -0.575 54.287 54.840 0.036 0.000 0.819 698 L CB 1.887 43.932 42.059 -0.023 0.000 1.330 698 L HN 0.696 nan 8.230 nan 0.000 0.410 699 A N 2.135 124.989 122.820 0.057 0.000 2.331 699 A HA 0.945 5.266 4.320 0.000 0.000 0.320 699 A C -1.118 176.487 177.584 0.036 0.000 1.138 699 A CA -0.606 51.453 52.037 0.037 0.000 0.790 699 A CB 1.478 20.503 19.000 0.042 0.000 1.206 699 A HN 0.415 nan 8.150 nan 0.000 0.470 700 V N 1.779 121.696 119.914 0.005 0.000 2.760 700 V HA 0.732 4.853 4.120 0.000 0.000 0.309 700 V C 0.033 176.104 176.094 -0.038 0.000 1.077 700 V CA -0.327 61.965 62.300 -0.014 0.000 0.910 700 V CB 1.892 33.693 31.823 -0.038 0.000 1.008 700 V HN 1.210 nan 8.190 nan 0.000 0.424 701 S N 1.832 117.493 115.700 -0.064 0.000 2.599 701 S HA 0.714 5.184 4.470 0.000 0.000 0.294 701 S C -0.812 173.684 174.600 -0.174 0.000 1.094 701 S CA -0.673 57.466 58.200 -0.101 0.000 0.931 701 S CB 2.517 65.663 63.200 -0.089 0.000 1.093 701 S HN 0.717 nan 8.310 nan 0.000 0.488 702 E N 2.211 122.305 120.200 -0.176 0.000 2.167 702 E HA 0.316 4.666 4.350 0.000 0.000 0.247 702 E C -1.984 174.456 176.600 -0.267 0.000 0.961 702 E CA -2.473 53.794 56.400 -0.222 0.000 0.797 702 E CB 1.138 30.752 29.700 -0.143 0.000 1.182 702 E HN 0.527 nan 8.360 nan 0.000 0.437 703 P HA -0.051 nan 4.420 nan 0.000 0.236 703 P C 1.135 178.327 177.300 -0.181 0.000 1.177 703 P CA 0.649 63.510 63.100 -0.399 0.000 0.773 703 P CB 0.084 31.254 31.700 -0.882 0.000 0.878 704 T N -3.031 111.412 114.554 -0.185 0.000 2.995 704 T HA -0.131 4.219 4.350 0.000 0.000 0.269 704 T C 1.298 176.013 174.700 0.026 0.000 1.091 704 T CA 0.740 62.852 62.100 0.021 0.000 1.128 704 T CB -0.931 67.962 68.868 0.041 0.000 0.891 704 T HN 0.194 nan 8.240 nan 0.000 0.492 705 Q N -0.527 119.261 119.800 -0.021 0.000 2.424 705 Q HA -0.207 4.133 4.340 0.000 0.000 0.234 705 Q C 0.803 176.808 176.000 0.008 0.000 0.748 705 Q CA 1.475 57.277 55.803 -0.002 0.000 1.286 705 Q CB -1.510 27.241 28.738 0.022 0.000 1.494 705 Q HN 0.604 nan 8.270 nan 0.000 0.683 706 K N -0.906 119.498 120.400 0.006 0.000 2.491 706 K HA 0.392 4.713 4.320 0.000 0.000 0.211 706 K C 0.203 176.805 176.600 0.005 0.000 1.210 706 K CA 0.530 56.827 56.287 0.016 0.000 1.003 706 K CB 1.211 33.732 32.500 0.035 0.000 1.009 706 K HN 0.207 nan 8.250 nan 0.000 0.577 707 A N 0.829 123.641 122.820 -0.013 0.000 2.331 707 A HA 0.573 4.893 4.320 0.000 0.000 0.283 707 A C 0.954 178.524 177.584 -0.023 0.000 1.142 707 A CA -0.079 51.947 52.037 -0.019 0.000 0.812 707 A CB 0.874 19.852 19.000 -0.037 0.000 1.074 707 A HN 0.236 nan 8.150 nan 0.000 0.497 708 A N 2.104 124.914 122.820 -0.017 0.000 2.067 708 A HA 0.471 4.792 4.320 0.000 0.000 0.217 708 A C 1.127 178.696 177.584 -0.025 0.000 1.156 708 A CA 1.331 53.358 52.037 -0.017 0.000 0.683 708 A CB -0.253 18.742 19.000 -0.009 0.000 0.808 708 A HN 1.653 nan 8.150 nan 0.000 0.455 709 G N -1.727 107.054 108.800 -0.032 0.000 2.690 709 G HA2 0.559 4.519 3.960 0.000 0.000 0.291 709 G HA3 0.559 4.519 3.960 0.000 0.000 0.291 709 G C -1.806 173.060 174.900 -0.056 0.000 1.403 709 G CA -0.405 44.671 45.100 -0.040 0.000 0.864 709 G HN 0.665 nan 8.290 nan 0.000 0.480 710 L N -0.136 121.046 121.223 -0.067 0.000 2.513 710 L HA 0.776 5.117 4.340 0.000 0.000 0.261 710 L C -0.754 176.060 176.870 -0.092 0.000 0.945 710 L CA -0.211 54.575 54.840 -0.091 0.000 0.848 710 L CB 2.422 44.413 42.059 -0.112 0.000 1.334 710 L HN 0.543 nan 8.230 nan 0.000 0.407 711 T N 5.550 120.041 114.554 -0.105 0.000 2.809 711 T HA 0.634 4.985 4.350 0.000 0.000 0.284 711 T C -0.436 174.178 174.700 -0.145 0.000 0.992 711 T CA -0.337 61.702 62.100 -0.101 0.000 0.957 711 T CB 0.898 69.720 68.868 -0.076 0.000 0.942 711 T HN 0.473 nan 8.240 nan 0.000 0.439 712 L N 2.563 123.701 121.223 -0.142 0.000 2.343 712 L HA 0.520 4.860 4.340 0.000 0.000 0.275 712 L C 0.500 177.293 176.870 -0.128 0.000 1.056 712 L CA -0.820 53.916 54.840 -0.174 0.000 0.804 712 L CB 1.173 43.130 42.059 -0.170 0.000 1.203 712 L HN 0.523 nan 8.230 nan 0.000 0.440 713 T N 3.655 118.129 114.554 -0.133 0.000 2.743 713 T HA 0.456 4.807 4.350 0.000 0.000 0.292 713 T C 0.053 174.700 174.700 -0.087 0.000 0.972 713 T CA -0.463 61.590 62.100 -0.080 0.000 0.967 713 T CB 0.515 69.347 68.868 -0.060 0.000 0.926 713 T HN 0.261 nan 8.240 nan 0.000 0.459 714 L N 6.764 127.954 121.223 -0.055 0.000 2.380 714 L HA 0.351 4.691 4.340 0.000 0.000 0.273 714 L C -1.548 175.290 176.870 -0.053 0.000 1.138 714 L CA -1.803 52.988 54.840 -0.082 0.000 0.832 714 L CB 0.418 42.487 42.059 0.017 0.000 1.124 714 L HN 0.369 nan 8.230 nan 0.000 0.454 715 P HA 0.105 nan 4.420 nan 0.000 0.282 715 P C -0.548 176.825 177.300 0.122 0.000 1.287 715 P CA -0.189 62.823 63.100 -0.146 0.000 0.792 715 P CB 0.753 32.120 31.700 -0.555 0.000 1.163 716 E N -1.414 118.887 120.200 0.169 0.000 2.694 716 E HA -0.204 4.146 4.350 0.000 0.000 0.272 716 E C 0.856 177.617 176.600 0.267 0.000 1.040 716 E CA 1.405 57.976 56.400 0.285 0.000 0.809 716 E CB -2.126 27.820 29.700 0.411 0.000 1.389 716 E HN 1.028 nan 8.360 nan 0.000 0.413 717 G N -0.882 107.992 108.800 0.123 0.000 2.508 717 G HA2 -0.248 3.712 3.960 0.000 0.000 0.220 717 G HA3 -0.248 3.712 3.960 0.000 0.000 0.220 717 G C 0.045 174.815 174.900 -0.217 0.000 1.287 717 G CA 0.346 45.395 45.100 -0.085 0.000 0.916 717 G HN 0.780 nan 8.290 nan 0.000 0.574 718 T N -2.440 111.826 114.554 -0.481 0.000 2.943 718 T HA 0.674 5.024 4.350 0.000 0.000 0.284 718 T C -0.887 173.234 174.700 -0.966 0.000 1.015 718 T CA -0.160 61.672 62.100 -0.447 0.000 1.042 718 T CB 1.943 70.669 68.868 -0.237 0.000 1.055 718 T HN 1.000 nan 8.240 nan 0.000 0.500 719 W N 0.599 121.885 121.300 -0.023 0.000 3.042 719 W HA 0.498 5.158 4.660 0.000 0.000 0.337 719 W C 0.658 177.167 176.519 -0.016 0.000 1.086 719 W CA -0.774 56.560 57.345 -0.018 0.000 1.236 719 W CB 2.088 31.533 29.460 -0.026 0.000 1.381 719 W HN 0.872 nan 8.180 nan 0.000 0.472 720 S N -0.238 115.542 115.700 0.133 0.000 2.559 720 S HA 0.342 4.812 4.470 0.000 0.000 0.226 720 S C 0.325 174.974 174.600 0.082 0.000 1.030 720 S CA 0.199 58.442 58.200 0.071 0.000 0.956 720 S CB 0.154 63.361 63.200 0.012 0.000 0.900 720 S HN 0.355 nan 8.310 nan 0.000 0.510 721 S N 0.079 115.850 115.700 0.119 0.000 2.607 721 S HA 0.747 5.217 4.470 0.000 0.000 0.273 721 S C -1.174 173.483 174.600 0.094 0.000 1.148 721 S CA -0.785 57.467 58.200 0.087 0.000 0.833 721 S CB 1.588 64.828 63.200 0.066 0.000 1.130 721 S HN 0.167 nan 8.310 nan 0.000 0.470 722 V N 2.850 122.799 119.914 0.058 0.000 2.333 722 V HA 0.336 4.456 4.120 0.000 0.000 0.274 722 V C 0.797 176.910 176.094 0.032 0.000 1.028 722 V CA -0.533 61.790 62.300 0.038 0.000 0.851 722 V CB 0.533 32.368 31.823 0.020 0.000 1.000 722 V HN 0.917 nan 8.190 nan 0.000 0.456 723 L N 3.011 124.253 121.223 0.032 0.000 2.127 723 L HA 0.233 4.573 4.340 0.000 0.000 0.203 723 L C 0.719 177.596 176.870 0.013 0.000 1.080 723 L CA 1.112 55.968 54.840 0.026 0.000 0.768 723 L CB 0.165 42.244 42.059 0.032 0.000 0.924 723 L HN 0.617 nan 8.230 nan 0.000 0.444 724 E N -1.150 119.053 120.200 0.004 0.000 2.293 724 E HA 0.523 4.874 4.350 0.000 0.000 0.270 724 E C -0.268 176.328 176.600 -0.007 0.000 0.879 724 E CA -0.121 56.278 56.400 -0.002 0.000 0.756 724 E CB 2.262 31.959 29.700 -0.005 0.000 1.208 724 E HN 0.154 nan 8.360 nan 0.000 0.428 725 G N 1.256 110.053 108.800 -0.006 0.000 2.660 725 G HA2 0.110 4.070 3.960 0.000 0.000 0.215 725 G HA3 0.110 4.070 3.960 0.000 0.000 0.215 725 G C -0.834 174.061 174.900 -0.009 0.000 1.345 725 G CA -0.446 44.648 45.100 -0.009 0.000 0.877 725 G HN 0.819 nan 8.290 nan 0.000 0.549 726 A N -1.001 121.811 122.820 -0.013 0.000 2.384 726 A HA 1.267 5.588 4.320 0.000 0.000 0.312 726 A C 0.646 178.220 177.584 -0.017 0.000 1.113 726 A CA 0.693 52.723 52.037 -0.012 0.000 0.779 726 A CB 1.650 20.643 19.000 -0.012 0.000 1.307 726 A HN 2.967 nan 8.150 nan 0.000 0.436 727 G N -0.716 108.075 108.800 -0.015 0.000 2.337 727 G HA2 0.471 4.432 3.960 0.000 0.000 0.310 727 G HA3 0.471 4.432 3.960 0.000 0.000 0.310 727 G C -0.943 173.950 174.900 -0.012 0.000 1.534 727 G CA -0.304 44.785 45.100 -0.019 0.000 0.982 727 G HN 0.962 nan 8.290 nan 0.000 0.672 728 T N 1.624 116.170 114.554 -0.013 0.000 2.770 728 T HA 0.579 4.929 4.350 0.000 0.000 0.283 728 T C 0.618 175.317 174.700 -0.003 0.000 0.988 728 T CA -0.326 61.770 62.100 -0.006 0.000 0.957 728 T CB 0.957 69.820 68.868 -0.008 0.000 0.930 728 T HN 0.504 nan 8.240 nan 0.000 0.443 729 L N 2.926 124.155 121.223 0.009 0.000 2.371 729 L HA 0.692 5.032 4.340 0.000 0.000 0.272 729 L C 0.984 177.863 176.870 0.015 0.000 1.124 729 L CA -0.069 54.783 54.840 0.021 0.000 0.816 729 L CB 0.754 42.839 42.059 0.043 0.000 1.129 729 L HN 0.795 nan 8.230 nan 0.000 0.448 730 G N 1.022 109.831 108.800 0.015 0.000 2.721 730 G HA2 0.686 4.646 3.960 0.000 0.000 0.296 730 G HA3 0.686 4.646 3.960 0.000 0.000 0.296 730 G C -1.514 173.392 174.900 0.010 0.000 1.383 730 G CA -0.313 44.791 45.100 0.007 0.000 0.788 730 G HN 0.384 nan 8.290 nan 0.000 0.500 731 T N 0.929 115.485 114.554 0.003 0.000 2.952 731 T HA 0.528 4.878 4.350 0.000 0.000 0.305 731 T C -1.083 173.616 174.700 -0.003 0.000 1.064 731 T CA -0.593 61.508 62.100 0.002 0.000 1.008 731 T CB 1.833 70.700 68.868 -0.001 0.000 1.078 731 T HN 0.824 nan 8.240 nan 0.000 0.459 732 D N 1.394 121.792 120.400 -0.003 0.000 2.466 732 D HA 0.554 5.194 4.640 0.000 0.000 0.262 732 D C 1.491 177.788 176.300 -0.004 0.000 1.177 732 D CA -0.746 53.251 54.000 -0.005 0.000 1.035 732 D CB 0.410 41.206 40.800 -0.007 0.000 1.105 732 D HN 0.459 nan 8.370 nan 0.000 0.551 733 A N -0.173 122.645 122.820 -0.004 0.000 2.024 733 A HA -0.179 4.141 4.320 0.000 0.000 0.220 733 A C 1.103 178.686 177.584 -0.003 0.000 1.164 733 A CA 1.692 53.728 52.037 -0.003 0.000 0.643 733 A CB -0.749 18.250 19.000 -0.002 0.000 0.806 733 A HN 0.615 nan 8.150 nan 0.000 0.451 734 D N -1.839 118.559 120.400 -0.002 0.000 2.342 734 D HA 0.375 5.015 4.640 0.000 0.000 0.221 734 D C 1.188 177.485 176.300 -0.004 0.000 1.101 734 D CA 0.935 54.933 54.000 -0.002 0.000 0.837 734 D CB 0.212 41.013 40.800 0.001 0.000 0.938 734 D HN 0.500 nan 8.370 nan 0.000 0.508 735 G N 0.874 109.670 108.800 -0.006 0.000 2.159 735 G HA2 -0.349 3.611 3.960 0.000 0.000 0.256 735 G HA3 -0.349 3.611 3.960 0.000 0.000 0.256 735 G C 0.363 175.257 174.900 -0.010 0.000 0.977 735 G CA -0.323 44.770 45.100 -0.011 0.000 0.652 735 G HN 0.302 nan 8.290 nan 0.000 0.531 736 R N 0.563 121.061 120.500 -0.003 0.000 2.457 736 R HA 0.569 4.910 4.340 0.000 0.000 0.284 736 R C 0.298 176.606 176.300 0.014 0.000 1.024 736 R CA -0.184 55.919 56.100 0.005 0.000 1.025 736 R CB 0.943 31.248 30.300 0.008 0.000 1.063 736 R HN 0.189 nan 8.270 nan 0.000 0.493 737 S N 1.125 116.849 115.700 0.039 0.000 2.565 737 S HA 0.155 4.625 4.470 0.000 0.000 0.276 737 S C 0.217 174.844 174.600 0.046 0.000 1.326 737 S CA -0.511 57.727 58.200 0.063 0.000 1.045 737 S CB 1.059 64.345 63.200 0.143 0.000 0.918 737 S HN 0.657 nan 8.310 nan 0.000 0.505 738 T N 0.391 114.960 114.554 0.023 0.000 2.912 738 T HA 0.726 5.076 4.350 0.000 0.000 0.288 738 T C -0.854 173.840 174.700 -0.010 0.000 1.030 738 T CA -0.904 61.192 62.100 -0.007 0.000 1.020 738 T CB 1.170 70.026 68.868 -0.020 0.000 1.056 738 T HN 0.323 nan 8.240 nan 0.000 0.480 739 L N 1.550 122.750 121.223 -0.039 0.000 2.376 739 L HA 0.664 5.004 4.340 0.000 0.000 0.275 739 L C -0.680 176.158 176.870 -0.053 0.000 0.987 739 L CA -0.088 54.726 54.840 -0.043 0.000 0.828 739 L CB 2.152 44.173 42.059 -0.062 0.000 1.249 739 L HN 0.946 nan 8.230 nan 0.000 0.409 740 T N 6.196 120.725 114.554 -0.041 0.000 2.779 740 T HA 0.641 4.991 4.350 0.000 0.000 0.280 740 T C -0.500 174.176 174.700 -0.041 0.000 0.987 740 T CA -0.273 61.801 62.100 -0.043 0.000 0.966 740 T CB 0.815 69.663 68.868 -0.033 0.000 0.933 740 T HN 0.415 nan 8.240 nan 0.000 0.442 741 L N 2.677 123.871 121.223 -0.048 0.000 2.334 741 L HA 0.517 4.857 4.340 0.000 0.000 0.276 741 L C -0.044 176.802 176.870 -0.040 0.000 1.014 741 L CA -1.120 53.693 54.840 -0.044 0.000 0.815 741 L CB 1.584 43.611 42.059 -0.055 0.000 1.268 741 L HN 0.490 nan 8.230 nan 0.000 0.428 742 D N 1.185 121.566 120.400 -0.031 0.000 2.339 742 D HA 0.126 4.767 4.640 0.000 0.000 0.241 742 D C 0.699 176.981 176.300 -0.030 0.000 1.183 742 D CA -0.164 53.819 54.000 -0.027 0.000 0.859 742 D CB 1.359 42.147 40.800 -0.019 0.000 1.067 742 D HN 0.637 nan 8.370 nan 0.000 0.484 743 T N -0.385 114.149 114.554 -0.034 0.000 3.129 743 T HA 0.111 4.462 4.350 0.000 0.000 0.267 743 T C 0.616 175.299 174.700 -0.027 0.000 1.018 743 T CA -0.428 61.649 62.100 -0.038 0.000 0.903 743 T CB -0.320 68.515 68.868 -0.055 0.000 1.067 743 T HN 0.211 nan 8.240 nan 0.000 0.549 744 T N 2.812 117.354 114.554 -0.019 0.000 2.831 744 T HA 0.404 4.754 4.350 0.000 0.000 0.291 744 T C 1.498 176.194 174.700 -0.008 0.000 0.981 744 T CA 0.934 63.028 62.100 -0.011 0.000 1.174 744 T CB -0.088 68.775 68.868 -0.007 0.000 0.929 744 T HN 0.805 nan 8.240 nan 0.000 0.532 745 G N 3.065 111.864 108.800 -0.003 0.000 2.168 745 G HA2 -0.261 3.699 3.960 0.000 0.000 0.257 745 G HA3 -0.261 3.699 3.960 0.000 0.000 0.257 745 G C 0.785 175.686 174.900 0.002 0.000 0.997 745 G CA 0.190 45.292 45.100 0.004 0.000 0.708 745 G HN 0.729 nan 8.290 nan 0.000 0.520 746 L N 0.209 121.427 121.223 -0.008 0.000 2.552 746 L HA 0.117 4.457 4.340 0.000 0.000 0.227 746 L C 1.819 178.687 176.870 -0.004 0.000 1.146 746 L CA 0.847 55.680 54.840 -0.012 0.000 0.858 746 L CB -0.123 41.920 42.059 -0.026 0.000 0.969 746 L HN 0.397 nan 8.230 nan 0.000 0.451 747 S N 0.208 115.912 115.700 0.006 0.000 3.581 747 S HA -0.226 4.245 4.470 0.000 0.000 0.354 747 S C 1.255 175.859 174.600 0.006 0.000 1.059 747 S CA 0.622 58.835 58.200 0.023 0.000 1.060 747 S CB -1.714 61.520 63.200 0.057 0.000 0.908 747 S HN 0.843 nan 8.310 nan 0.000 0.475 748 G N -0.374 108.416 108.800 -0.016 0.000 2.179 748 G HA2 -0.332 3.629 3.960 0.000 0.000 0.260 748 G HA3 -0.332 3.629 3.960 0.000 0.000 0.260 748 G C -0.020 174.862 174.900 -0.030 0.000 0.977 748 G CA 0.762 45.844 45.100 -0.029 0.000 0.641 748 G HN 0.686 nan 8.290 nan 0.000 0.533 749 K N 0.604 120.989 120.400 -0.025 0.000 2.219 749 K HA 0.465 4.785 4.320 0.000 0.000 0.258 749 K C 0.407 176.987 176.600 -0.034 0.000 1.008 749 K CA 0.122 56.393 56.287 -0.027 0.000 0.928 749 K CB 0.497 32.984 32.500 -0.022 0.000 0.983 749 K HN 0.083 nan 8.250 nan 0.000 0.484 750 T N 2.806 117.341 114.554 -0.031 0.000 2.856 750 T HA 0.160 4.510 4.350 0.000 0.000 0.292 750 T C -0.259 174.426 174.700 -0.024 0.000 0.980 750 T CA -0.531 61.553 62.100 -0.027 0.000 1.091 750 T CB 0.570 69.427 68.868 -0.019 0.000 0.936 750 T HN 0.160 nan 8.240 nan 0.000 0.503 751 K N 3.592 123.977 120.400 -0.025 0.000 2.213 751 K HA 0.457 4.778 4.320 0.000 0.000 0.270 751 K C -0.480 176.110 176.600 -0.016 0.000 1.002 751 K CA -0.461 55.812 56.287 -0.023 0.000 0.868 751 K CB 1.387 33.869 32.500 -0.030 0.000 1.093 751 K HN 0.507 nan 8.250 nan 0.000 0.454 752 L N 4.657 125.873 121.223 -0.013 0.000 2.295 752 L HA 0.539 4.879 4.340 0.000 0.000 0.285 752 L C -0.166 176.695 176.870 -0.015 0.000 1.035 752 L CA -0.853 53.982 54.840 -0.008 0.000 0.806 752 L CB 0.682 42.740 42.059 -0.002 0.000 1.214 752 L HN 0.403 nan 8.230 nan 0.000 0.426 753 I N 3.289 123.846 120.570 -0.021 0.000 2.647 753 I HA 0.426 4.596 4.170 0.000 0.000 0.295 753 I C -0.498 175.593 176.117 -0.043 0.000 1.078 753 I CA -0.433 60.846 61.300 -0.034 0.000 1.048 753 I CB 2.268 40.237 38.000 -0.050 0.000 1.239 753 I HN 0.442 nan 8.210 nan 0.000 0.421 754 K N 6.281 126.658 120.400 -0.039 0.000 2.426 754 K HA 0.742 5.062 4.320 0.000 0.000 0.254 754 K C -1.773 174.802 176.600 -0.041 0.000 0.936 754 K CA -0.513 55.746 56.287 -0.047 0.000 0.801 754 K CB 1.467 33.956 32.500 -0.018 0.000 1.139 754 K HN 0.573 nan 8.250 nan 0.000 0.424 755 L N 2.807 123.979 121.223 -0.085 0.000 2.330 755 L HA 0.573 4.914 4.340 0.000 0.000 0.271 755 L C -0.360 176.606 176.870 0.159 0.000 1.013 755 L CA -1.061 53.782 54.840 0.005 0.000 0.816 755 L CB 1.834 43.835 42.059 -0.097 0.000 1.287 755 L HN 0.548 nan 8.230 nan 0.000 0.435 756 K N 1.292 121.871 120.400 0.298 0.000 2.259 756 K HA 0.435 4.756 4.320 0.000 0.000 0.252 756 K C -0.299 176.547 176.600 0.411 0.000 0.936 756 K CA -0.843 55.657 56.287 0.355 0.000 0.810 756 K CB 2.139 34.745 32.500 0.176 0.000 1.143 756 K HN 0.443 nan 8.250 nan 0.000 0.427 757 R N 0.000 120.656 120.500 0.259 0.000 2.786 757 R HA 0.000 4.340 4.340 0.000 0.000 0.208 757 R CA 0.000 55.968 56.100 -0.220 0.000 0.921 757 R CB 0.000 30.131 30.300 -0.282 0.000 0.687 757 R HN 0.000 nan 8.270 nan 0.000 0.535