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 2zpa_1_B DATA FIRST_RESID 2 DATA SEQUENCE AELTALHTLT AQXKREGIRR LLVLSGEEGW CFEHTLKLRD ALPGDWLWIS DATA SEQUENCE PRPDAXXXXX XXXLQTLLGR EFRHAVFDAR HGFDAAAFAA LSGTLKAGSW DATA SEQUENCE LVLLLPVWEE WENQPDADSL RWSDCPDPIA TPHFVQHLKR VLTADNEAIL DATA SEQUENCE WRQNQPFSLA HFTPRTDWYP ATGAPQPEQQ QLLKQLXTXP PGVAAVTAAR DATA SEQUENCE GRGKSALAGQ LISRIAGRAI VTAPAKASTD VLAQFAGEKF RFIAPDALLA DATA SEQUENCE SDEQADWLVV DEAAAIPAPL LHQLVSRFPR TLLTTTVQGY EGTGRGFLLK DATA SEQUENCE FCARFPHLHR FELQQPIRWA QGCPLEKXVS EALVFDDENF THTPQGNIVI DATA SEQUENCE SAFEQTLWQS DPETPLKVYQ LLSGAHYRTS PLDLRRXXDA PGQHFLQAAG DATA SEQUENCE ENEIAGALWL VDEGGLSQQL SQAVWAGFRR PRGNLVAQSL AAHGNNPLAA DATA SEQUENCE TLRGRRVSRI AVHPARQREG TGRQLIAGAL QYTQDLDYLS VSFGYTGELW DATA SEQUENCE RFWQRCGFVL VRXGNHREAS SGCYTAXALL PXSDAGKQLA EREHYRLRRD DATA SEQUENCE AQALAQWNGE TLPVDPLNDA VLSDDDWLEL AGFAFAHRPL LTSLGCLLRL DATA SEQUENCE LQTSELALPA LRGRLQKNAS DAQLCTTLKL SGRKXLLVRQ REEAAQALFA DATA SEQUENCE LNDVRTERLR DRITQWQLF 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.613 177.584 0.049 0.000 1.274 2 A CA 0.000 52.060 52.037 0.039 0.000 0.836 2 A CB 0.000 19.020 19.000 0.034 0.000 0.831 3 E N 1.434 121.670 120.200 0.060 0.000 2.097 3 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 3 E C 1.792 178.433 176.600 0.069 0.000 1.000 3 E CA 1.813 58.250 56.400 0.062 0.000 0.804 3 E CB -0.332 29.318 29.700 -0.083 0.000 0.740 3 E HN 0.661 nan 8.360 nan 0.000 0.454 4 L N 0.260 121.528 121.223 0.074 0.000 2.056 4 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 4 L C 2.310 179.244 176.870 0.107 0.000 1.078 4 L CA 1.463 56.351 54.840 0.080 0.000 0.749 4 L CB -0.733 41.351 42.059 0.042 0.000 0.901 4 L HN 0.194 nan 8.230 nan 0.000 0.433 5 T N 0.075 114.679 114.554 0.083 0.000 2.788 5 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 5 T C 1.967 176.753 174.700 0.144 0.000 1.044 5 T CA 1.277 63.438 62.100 0.101 0.000 1.139 5 T CB -0.144 68.759 68.868 0.060 0.000 0.867 5 T HN 0.432 nan 8.240 nan 0.000 0.454 6 A N 1.008 123.892 122.820 0.107 0.000 1.968 6 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 6 A C 2.114 179.783 177.584 0.141 0.000 1.169 6 A CA 0.731 52.821 52.037 0.088 0.000 0.638 6 A CB -0.437 18.581 19.000 0.029 0.000 0.812 6 A HN 0.314 nan 8.150 nan 0.000 0.446 7 L N -0.913 120.415 121.223 0.175 0.000 2.179 7 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 7 L C 2.227 179.276 176.870 0.297 0.000 1.096 7 L CA 2.140 57.121 54.840 0.234 0.000 0.779 7 L CB -1.593 40.534 42.059 0.112 0.000 0.922 7 L HN 0.675 nan 8.230 nan 0.000 0.443 8 H N 0.043 119.212 119.070 0.165 0.000 2.321 8 H HA -0.161 4.395 4.556 -0.000 0.000 0.300 8 H C 2.270 177.695 175.328 0.162 0.000 1.087 8 H CA 2.574 58.722 56.048 0.168 0.000 1.319 8 H CB 0.176 30.009 29.762 0.118 0.000 1.379 8 H HN 0.381 nan 8.280 nan 0.000 0.501 9 T N -1.211 113.421 114.554 0.130 0.000 2.812 9 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 9 T C 2.083 176.813 174.700 0.049 0.000 1.042 9 T CA 1.166 63.298 62.100 0.054 0.000 1.140 9 T CB -0.700 68.231 68.868 0.104 0.000 0.870 9 T HN 0.257 nan 8.240 nan 0.000 0.445 10 L N 1.926 123.218 121.223 0.115 0.000 2.127 10 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 10 L C 2.366 179.292 176.870 0.093 0.000 1.089 10 L CA 1.944 56.867 54.840 0.139 0.000 0.757 10 L CB -1.424 40.788 42.059 0.254 0.000 0.899 10 L HN 0.293 nan 8.230 nan 0.000 0.434 11 T N -0.358 114.273 114.554 0.128 0.000 2.915 11 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 11 T C 1.872 176.548 174.700 -0.040 0.000 1.071 11 T CA 1.074 63.215 62.100 0.067 0.000 1.132 11 T CB -0.306 68.695 68.868 0.220 0.000 0.878 11 T HN 0.550 nan 8.240 nan 0.000 0.479 12 A N 0.812 123.594 122.820 -0.063 0.000 1.929 12 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 12 A C 1.527 179.089 177.584 -0.037 0.000 1.176 12 A CA 0.601 52.602 52.037 -0.060 0.000 0.628 12 A CB -0.363 18.599 19.000 -0.063 0.000 0.816 12 A HN 0.537 nan 8.150 nan 0.000 0.444 16 R N 1.828 122.304 120.500 -0.041 0.000 2.240 16 R HA 0.129 4.469 4.340 -0.000 0.000 0.203 16 R C 0.639 176.923 176.300 -0.027 0.000 1.011 16 R CA 1.346 57.424 56.100 -0.036 0.000 1.007 16 R CB 0.240 30.529 30.300 -0.019 0.000 0.911 16 R HN 0.304 nan 8.270 nan 0.000 0.468 17 E N -1.444 118.741 120.200 -0.024 0.000 2.501 17 E HA 0.209 4.559 4.350 -0.000 0.000 0.201 17 E C 0.389 176.980 176.600 -0.015 0.000 1.016 17 E CA 0.346 56.747 56.400 0.001 0.000 0.920 17 E CB 0.750 30.430 29.700 -0.035 0.000 1.023 17 E HN 0.325 nan 8.360 nan 0.000 0.474 18 G N 2.563 111.334 108.800 -0.048 0.000 2.225 18 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 18 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 18 G C 0.335 174.905 174.900 -0.550 0.000 1.024 18 G CA 1.013 45.866 45.100 -0.411 0.000 0.784 18 G HN 0.447 nan 8.290 nan 0.000 0.507 19 I N -4.074 116.287 120.570 -0.349 0.000 3.217 19 I HA 0.998 5.168 4.170 -0.000 0.000 0.308 19 I C 0.149 176.022 176.117 -0.406 0.000 1.091 19 I CA -1.972 59.113 61.300 -0.358 0.000 1.013 19 I CB 1.579 39.399 38.000 -0.299 0.000 1.250 19 I HN 0.004 nan 8.210 nan 0.000 0.496 20 R N 0.768 120.996 120.500 -0.454 0.000 2.808 20 R HA 0.685 5.025 4.340 -0.000 0.000 0.272 20 R C -1.200 174.808 176.300 -0.486 0.000 0.995 20 R CA -0.923 54.886 56.100 -0.484 0.000 0.917 20 R CB 2.470 32.488 30.300 -0.470 0.000 1.217 20 R HN 0.578 nan 8.270 nan 0.000 0.471 21 R N 0.821 120.993 120.500 -0.547 0.000 2.837 21 R HA 0.435 4.775 4.340 -0.000 0.000 0.271 21 R C -1.187 175.120 176.300 0.011 0.000 0.993 21 R CA -1.055 54.803 56.100 -0.405 0.000 0.931 21 R CB 2.046 31.897 30.300 -0.747 0.000 1.206 21 R HN 0.359 nan 8.270 nan 0.000 0.474 22 L N 3.365 124.688 121.223 0.166 0.000 2.264 22 L HA 0.328 4.668 4.340 -0.000 0.000 0.289 22 L C -1.068 176.071 176.870 0.448 0.000 1.044 22 L CA -0.730 54.284 54.840 0.290 0.000 0.807 22 L CB 0.901 43.089 42.059 0.215 0.000 1.192 22 L HN 0.292 nan 8.230 nan 0.000 0.425 23 L N 7.236 128.702 121.223 0.406 0.000 2.294 23 L HA 0.417 4.757 4.340 -0.000 0.000 0.283 23 L C -0.764 176.196 176.870 0.150 0.000 1.015 23 L CA -0.372 54.590 54.840 0.203 0.000 0.831 23 L CB 1.554 43.523 42.059 -0.149 0.000 1.217 23 L HN 0.254 nan 8.230 nan 0.000 0.420 24 V N 6.532 126.553 119.914 0.179 0.000 2.383 24 V HA 0.330 4.450 4.120 -0.000 0.000 0.275 24 V C -0.066 176.098 176.094 0.115 0.000 1.036 24 V CA -0.656 61.732 62.300 0.146 0.000 0.889 24 V CB 1.598 33.543 31.823 0.204 0.000 0.985 24 V HN 0.474 nan 8.190 nan 0.000 0.459 25 L N 4.853 126.083 121.223 0.012 0.000 2.277 25 L HA 0.495 4.835 4.340 -0.000 0.000 0.284 25 L C 0.255 177.162 176.870 0.062 0.000 1.028 25 L CA 0.495 55.314 54.840 -0.035 0.000 0.835 25 L CB 1.282 43.189 42.059 -0.254 0.000 1.215 25 L HN 0.691 nan 8.230 nan 0.000 0.425 26 S N 2.493 118.296 115.700 0.172 0.000 2.498 26 S HA 0.933 5.403 4.470 -0.000 0.000 0.317 26 S C -0.058 174.543 174.600 0.001 0.000 1.090 26 S CA 0.277 58.535 58.200 0.096 0.000 1.089 26 S CB 0.877 64.219 63.200 0.237 0.000 0.997 26 S HN 0.978 nan 8.310 nan 0.000 0.470 27 G N 3.469 112.256 108.800 -0.022 0.000 2.367 27 G HA2 0.200 4.160 3.960 -0.000 0.000 0.272 27 G HA3 0.200 4.160 3.960 -0.000 0.000 0.272 27 G C -1.621 173.271 174.900 -0.013 0.000 1.271 27 G CA -0.856 44.151 45.100 -0.155 0.000 0.893 27 G HN 0.623 nan 8.290 nan 0.000 0.485 28 E N 0.554 120.750 120.200 -0.005 0.000 2.413 28 E HA 0.199 4.549 4.350 -0.000 0.000 0.263 28 E C 1.087 177.773 176.600 0.144 0.000 1.015 28 E CA 0.280 56.722 56.400 0.070 0.000 0.916 28 E CB 1.119 30.866 29.700 0.079 0.000 0.947 28 E HN 0.532 nan 8.360 nan 0.000 0.440 29 E N 1.812 122.065 120.200 0.089 0.000 2.086 29 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 29 E C 1.878 178.563 176.600 0.143 0.000 1.012 29 E CA 1.327 57.781 56.400 0.090 0.000 0.812 29 E CB -0.146 29.605 29.700 0.085 0.000 0.743 29 E HN 0.757 nan 8.360 nan 0.000 0.453 30 G N 0.393 109.281 108.800 0.147 0.000 2.394 30 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 30 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 30 G C 1.202 176.219 174.900 0.195 0.000 1.165 30 G CA 0.503 45.700 45.100 0.161 0.000 0.784 30 G HN 0.364 nan 8.290 nan 0.000 0.535 31 W N 0.826 122.137 121.300 0.018 0.000 2.338 31 W HA -0.185 4.474 4.660 -0.000 0.000 0.304 31 W C 2.492 178.987 176.519 -0.041 0.000 1.212 31 W CA 1.597 58.940 57.345 -0.004 0.000 1.264 31 W CB -0.536 28.884 29.460 -0.066 0.000 1.142 31 W HN 0.214 nan 8.180 nan 0.000 0.512 32 C N -0.416 118.939 119.300 0.092 0.000 2.432 32 C HA -0.207 4.253 4.460 -0.000 0.000 0.277 32 C C 2.561 177.458 174.990 -0.155 0.000 1.249 32 C CA 1.204 60.135 59.018 -0.145 0.000 1.725 32 C CB -1.896 25.855 27.740 0.018 0.000 2.028 32 C HN 0.463 nan 8.230 nan 0.000 0.477 33 F N 1.968 121.868 119.950 -0.084 0.000 2.134 33 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 33 F C 2.386 178.103 175.800 -0.139 0.000 1.097 33 F CA 1.712 59.689 58.000 -0.039 0.000 1.264 33 F CB -0.380 38.618 39.000 -0.004 0.000 1.001 33 F HN 0.184 nan 8.300 nan 0.000 0.479 34 E N -0.335 119.749 120.200 -0.194 0.000 2.085 34 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 34 E C 2.074 178.345 176.600 -0.548 0.000 0.994 34 E CA 1.740 57.935 56.400 -0.341 0.000 0.801 34 E CB -0.752 28.798 29.700 -0.251 0.000 0.743 34 E HN 0.571 nan 8.360 nan 0.000 0.453 35 H N -0.192 118.422 119.070 -0.759 0.000 2.423 35 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 35 H C 2.293 177.199 175.328 -0.704 0.000 1.075 35 H CA 2.018 57.547 56.048 -0.864 0.000 1.342 35 H CB -0.312 28.660 29.762 -1.316 0.000 1.395 35 H HN 0.266 nan 8.280 nan 0.000 0.530 36 T N -1.357 112.874 114.554 -0.539 0.000 2.833 36 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 36 T C 1.994 176.313 174.700 -0.633 0.000 1.054 36 T CA 0.849 62.625 62.100 -0.541 0.000 1.135 36 T CB -0.370 68.294 68.868 -0.341 0.000 0.869 36 T HN 0.062 nan 8.240 nan 0.000 0.466 37 L N 1.014 121.834 121.223 -0.673 0.000 2.056 37 L HA 0.186 4.526 4.340 -0.000 0.000 0.207 37 L C 2.622 179.224 176.870 -0.448 0.000 1.078 37 L CA 1.579 56.079 54.840 -0.567 0.000 0.749 37 L CB -0.661 41.081 42.059 -0.530 0.000 0.901 37 L HN 0.280 nan 8.230 nan 0.000 0.433 38 K N -1.448 118.684 120.400 -0.445 0.000 2.062 38 K HA -0.128 4.192 4.320 -0.000 0.000 0.205 38 K C 1.931 178.342 176.600 -0.313 0.000 1.051 38 K CA 0.712 56.789 56.287 -0.349 0.000 0.941 38 K CB -0.255 32.016 32.500 -0.381 0.000 0.719 38 K HN 0.078 nan 8.250 nan 0.000 0.440 39 L N 1.860 122.844 121.223 -0.399 0.000 2.042 39 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 39 L C 2.480 179.088 176.870 -0.437 0.000 1.076 39 L CA 1.665 56.280 54.840 -0.375 0.000 0.749 39 L CB -0.808 40.960 42.059 -0.486 0.000 0.893 39 L HN 0.200 nan 8.230 nan 0.000 0.432 40 R N -0.566 119.481 120.500 -0.756 0.000 2.092 40 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 40 R C 1.542 177.717 176.300 -0.208 0.000 1.119 40 R CA 1.773 57.394 56.100 -0.799 0.000 0.970 40 R CB -0.431 29.350 30.300 -0.866 0.000 0.864 40 R HN 0.313 nan 8.270 nan 0.000 0.440 41 D N 0.487 120.772 120.400 -0.192 0.000 2.224 41 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 41 D C 1.629 177.925 176.300 -0.008 0.000 0.965 41 D CA 1.331 55.283 54.000 -0.079 0.000 0.852 41 D CB 0.145 40.878 40.800 -0.113 0.000 0.947 41 D HN 0.431 nan 8.370 nan 0.000 0.494 42 A N -0.014 122.805 122.820 -0.002 0.000 1.903 42 A HA 0.042 4.362 4.320 -0.000 0.000 0.213 42 A C 0.642 178.360 177.584 0.224 0.000 1.185 42 A CA 0.524 52.598 52.037 0.062 0.000 0.628 42 A CB 0.196 19.221 19.000 0.042 0.000 0.830 42 A HN 0.085 nan 8.150 nan 0.000 0.446 43 L N 1.771 123.177 121.223 0.306 0.000 2.356 43 L HA 0.347 4.687 4.340 -0.000 0.000 0.264 43 L C -2.626 174.599 176.870 0.591 0.000 1.029 43 L CA -2.797 52.316 54.840 0.455 0.000 0.897 43 L CB 0.237 42.533 42.059 0.396 0.000 1.256 43 L HN 0.107 nan 8.230 nan 0.000 0.444 44 P HA 0.361 nan 4.420 nan 0.000 0.267 44 P C 0.169 177.730 177.300 0.436 0.000 1.200 44 P CA 0.398 63.760 63.100 0.436 0.000 0.772 44 P CB 1.874 33.734 31.700 0.266 0.000 0.855 45 G N 1.255 110.298 108.800 0.405 0.000 2.341 45 G HA2 0.099 4.059 3.960 -0.000 0.000 0.299 45 G HA3 0.099 4.059 3.960 -0.000 0.000 0.299 45 G C -0.210 174.803 174.900 0.189 0.000 1.274 45 G CA -0.420 44.746 45.100 0.111 0.000 0.853 45 G HN 0.331 nan 8.290 nan 0.000 0.493 46 D N -1.018 119.415 120.400 0.055 0.000 2.162 46 D HA -0.009 4.631 4.640 -0.000 0.000 0.205 46 D C 0.475 176.971 176.300 0.328 0.000 0.964 46 D CA 0.953 55.075 54.000 0.203 0.000 0.847 46 D CB -0.000 40.944 40.800 0.240 0.000 0.988 46 D HN 0.537 nan 8.370 nan 0.000 0.480 47 W N 1.273 122.693 121.300 0.201 0.000 6.199 47 W HA -0.190 4.470 4.660 -0.000 0.000 0.416 47 W C 0.066 176.659 176.519 0.123 0.000 1.636 47 W CA -0.563 56.888 57.345 0.176 0.000 1.040 47 W CB -2.016 27.552 29.460 0.180 0.000 2.854 47 W HN 0.039 nan 8.180 nan 0.000 1.467 48 L N 1.323 122.623 121.223 0.128 0.000 2.397 48 L HA 0.433 4.773 4.340 -0.000 0.000 0.271 48 L C 0.089 177.008 176.870 0.082 0.000 1.148 48 L CA -0.253 54.580 54.840 -0.011 0.000 0.825 48 L CB 0.306 42.032 42.059 -0.555 0.000 1.117 48 L HN 0.233 nan 8.230 nan 0.000 0.456 49 W N 7.913 129.200 121.300 -0.023 0.000 2.393 49 W HA 0.406 5.066 4.660 -0.000 0.000 0.315 49 W C -1.745 174.752 176.519 -0.037 0.000 1.009 49 W CA -0.867 56.488 57.345 0.017 0.000 1.313 49 W CB 1.448 30.930 29.460 0.037 0.000 1.269 49 W HN 0.341 nan 8.180 nan 0.000 0.420 50 I N 6.289 126.848 120.570 -0.017 0.000 2.355 50 I HA 0.218 4.387 4.170 -0.000 0.000 0.288 50 I C 0.057 176.060 176.117 -0.191 0.000 0.999 50 I CA -0.202 61.080 61.300 -0.031 0.000 1.163 50 I CB 1.176 39.183 38.000 0.011 0.000 1.316 50 I HN 0.376 nan 8.210 nan 0.000 0.454 51 S N 7.312 123.002 115.700 -0.017 0.000 2.536 51 S HA 0.603 5.073 4.470 -0.000 0.000 0.271 51 S C -2.865 171.708 174.600 -0.046 0.000 1.134 51 S CA -1.319 56.841 58.200 -0.066 0.000 0.897 51 S CB 2.404 65.748 63.200 0.241 0.000 1.094 51 S HN 0.406 nan 8.310 nan 0.000 0.473 52 P HA 0.162 nan 4.420 nan 0.000 0.252 52 P C 0.206 177.506 177.300 0.001 0.000 1.635 52 P CA -0.148 62.935 63.100 -0.028 0.000 1.206 52 P CB 0.165 31.853 31.700 -0.021 0.000 1.911 53 R N 2.404 122.910 120.500 0.011 0.000 2.064 53 R HA 0.122 4.462 4.340 -0.000 0.000 0.221 53 R C -1.252 175.047 176.300 -0.003 0.000 1.136 53 R CA 0.490 56.594 56.100 0.005 0.000 0.980 53 R CB -1.011 29.294 30.300 0.008 0.000 0.876 53 R HN 0.402 nan 8.270 nan 0.000 0.437 54 P HA 0.215 nan 4.420 nan 0.000 0.279 54 P C -1.520 175.782 177.300 0.004 0.000 1.239 54 P CA 0.044 63.146 63.100 0.003 0.000 0.789 54 P CB 1.109 32.816 31.700 0.012 0.000 0.933 55 D N 0.791 121.191 120.400 -0.001 0.000 2.278 55 D HA 0.661 5.301 4.640 -0.000 0.000 0.245 55 D C -0.318 175.983 176.300 0.001 0.000 1.052 55 D CA -0.198 53.801 54.000 -0.001 0.000 0.834 55 D CB 1.691 42.484 40.800 -0.012 0.000 1.194 55 D HN 0.473 nan 8.370 nan 0.000 0.481 66 Q N 0.152 119.994 119.800 0.070 0.000 2.706 66 Q HA 0.148 4.488 4.340 -0.000 0.000 0.335 66 Q C 0.763 176.816 176.000 0.088 0.000 0.796 66 Q CA 0.261 56.111 55.803 0.080 0.000 1.046 66 Q CB 1.225 30.009 28.738 0.078 0.000 1.448 66 Q HN 0.220 nan 8.270 nan 0.000 0.385 67 T N -1.915 112.693 114.554 0.089 0.000 3.186 67 T HA 0.284 4.634 4.350 -0.000 0.000 0.257 67 T C 0.193 174.957 174.700 0.108 0.000 1.029 67 T CA -0.058 62.093 62.100 0.086 0.000 0.916 67 T CB 0.001 68.912 68.868 0.072 0.000 1.041 67 T HN 0.129 nan 8.240 nan 0.000 0.562 68 L N 1.531 122.840 121.223 0.143 0.000 2.999 68 L HA 0.529 4.869 4.340 -0.000 0.000 0.263 68 L C 0.745 177.752 176.870 0.227 0.000 1.320 68 L CA -0.051 54.917 54.840 0.212 0.000 0.913 68 L CB 0.979 43.239 42.059 0.336 0.000 1.296 68 L HN 0.174 nan 8.230 nan 0.000 0.546 69 L N -0.182 121.131 121.223 0.149 0.000 2.515 69 L HA 0.403 4.743 4.340 -0.000 0.000 0.223 69 L C 2.100 179.023 176.870 0.087 0.000 1.079 69 L CA 1.111 56.036 54.840 0.142 0.000 0.857 69 L CB -0.123 42.018 42.059 0.136 0.000 1.050 69 L HN 0.387 nan 8.230 nan 0.000 0.476 70 G N -0.404 108.427 108.800 0.051 0.000 2.471 70 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.219 70 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.219 70 G C 1.147 176.033 174.900 -0.023 0.000 1.125 70 G CA 0.039 45.148 45.100 0.015 0.000 0.775 70 G HN 0.231 nan 8.290 nan 0.000 0.548 71 R N 0.190 120.655 120.500 -0.057 0.000 2.553 71 R HA 0.521 4.861 4.340 -0.000 0.000 0.263 71 R C -0.286 175.791 176.300 -0.371 0.000 1.066 71 R CA -0.386 55.567 56.100 -0.246 0.000 1.135 71 R CB 0.697 30.777 30.300 -0.366 0.000 1.148 71 R HN 0.411 nan 8.270 nan 0.000 0.558 72 E N 0.817 120.642 120.200 -0.625 0.000 2.369 72 E HA 0.478 4.828 4.350 -0.000 0.000 0.270 72 E C -1.298 174.806 176.600 -0.826 0.000 0.909 72 E CA -0.775 55.337 56.400 -0.480 0.000 0.775 72 E CB 1.801 31.407 29.700 -0.158 0.000 1.270 72 E HN 0.200 nan 8.360 nan 0.000 0.445 73 F N -0.296 119.629 119.950 -0.042 0.000 2.601 73 F HA 0.452 4.979 4.527 -0.000 0.000 0.309 73 F C -0.186 175.506 175.800 -0.180 0.000 1.089 73 F CA -1.096 56.856 58.000 -0.080 0.000 0.940 73 F CB 1.980 40.952 39.000 -0.046 0.000 1.273 73 F HN 0.336 nan 8.300 nan 0.000 0.450 74 R N 2.503 122.951 120.500 -0.088 0.000 2.205 74 R HA 0.404 4.744 4.340 -0.000 0.000 0.342 74 R C -1.177 174.734 176.300 -0.649 0.000 1.058 74 R CA -0.040 55.800 56.100 -0.434 0.000 0.904 74 R CB -0.387 29.645 30.300 -0.447 0.000 1.089 74 R HN 0.755 nan 8.270 nan 0.000 0.471 75 H N -0.225 118.605 119.070 -0.400 0.000 4.744 75 H HA -0.151 4.405 4.556 -0.000 0.000 0.269 75 H C -1.359 173.695 175.328 -0.457 0.000 0.559 75 H CA 0.289 55.899 56.048 -0.730 0.000 0.714 75 H CB -1.061 27.531 29.762 -1.950 0.000 0.942 75 H HN 0.825 nan 8.280 nan 0.000 0.311 76 A N 1.044 123.809 122.820 -0.090 0.000 2.586 76 A HA 0.715 5.035 4.320 -0.000 0.000 0.290 76 A C -1.118 176.567 177.584 0.168 0.000 1.086 76 A CA -0.055 52.035 52.037 0.088 0.000 0.665 76 A CB 1.869 20.845 19.000 -0.042 0.000 1.279 76 A HN 0.568 nan 8.150 nan 0.000 0.423 77 V N 0.362 120.280 119.914 0.007 0.000 2.638 77 V HA 0.587 4.707 4.120 -0.000 0.000 0.306 77 V C -1.437 174.454 176.094 -0.339 0.000 1.052 77 V CA -0.242 61.891 62.300 -0.278 0.000 0.885 77 V CB 1.670 32.973 31.823 -0.867 0.000 0.999 77 V HN 0.826 nan 8.190 nan 0.000 0.424 78 F N 3.498 123.235 119.950 -0.355 0.000 2.347 78 F HA 0.487 5.014 4.527 -0.000 0.000 0.366 78 F C 0.153 175.752 175.800 -0.336 0.000 1.107 78 F CA -0.686 57.148 58.000 -0.278 0.000 1.058 78 F CB 1.071 40.029 39.000 -0.069 0.000 1.236 78 F HN 0.519 nan 8.300 nan 0.000 0.456 79 D N 4.910 124.900 120.400 -0.683 0.000 2.402 79 D HA 0.288 4.928 4.640 -0.000 0.000 0.235 79 D C 0.448 176.495 176.300 -0.422 0.000 1.226 79 D CA 0.274 54.016 54.000 -0.431 0.000 0.918 79 D CB 1.133 41.830 40.800 -0.171 0.000 1.043 79 D HN 0.619 nan 8.370 nan 0.000 0.506 80 A N 4.292 126.938 122.820 -0.290 0.000 2.387 80 A HA 0.098 4.418 4.320 -0.000 0.000 0.234 80 A C 1.954 179.459 177.584 -0.131 0.000 1.253 80 A CA -0.206 51.721 52.037 -0.184 0.000 0.894 80 A CB 0.054 18.982 19.000 -0.120 0.000 0.963 80 A HN 0.498 nan 8.150 nan 0.000 0.508 81 R N -0.485 119.884 120.500 -0.219 0.000 2.185 81 R HA -0.173 4.167 4.340 -0.000 0.000 0.247 81 R C 0.922 176.887 176.300 -0.559 0.000 1.159 81 R CA 1.716 57.589 56.100 -0.379 0.000 0.988 81 R CB -0.165 29.894 30.300 -0.402 0.000 0.871 81 R HN 0.643 nan 8.270 nan 0.000 0.458 82 H N -2.799 116.281 119.070 0.017 0.000 3.457 82 H HA 0.322 4.878 4.556 -0.000 0.000 0.255 82 H C 0.575 175.949 175.328 0.078 0.000 1.082 82 H CA 0.690 56.764 56.048 0.043 0.000 1.189 82 H CB 1.575 31.348 29.762 0.017 0.000 1.511 82 H HN 0.220 nan 8.280 nan 0.000 0.527 83 G N 0.159 109.056 108.800 0.161 0.000 2.703 83 G HA2 0.388 4.348 3.960 -0.000 0.000 0.294 83 G HA3 0.388 4.348 3.960 -0.000 0.000 0.294 83 G C -2.144 172.905 174.900 0.248 0.000 1.451 83 G CA -0.535 44.685 45.100 0.201 0.000 0.869 83 G HN 0.021 nan 8.290 nan 0.000 0.516 84 F N 2.281 122.368 119.950 0.229 0.000 2.532 84 F HA 0.382 4.909 4.527 -0.000 0.000 0.365 84 F C -0.377 175.603 175.800 0.299 0.000 1.112 84 F CA -1.485 56.711 58.000 0.326 0.000 1.082 84 F CB 1.732 40.961 39.000 0.380 0.000 1.319 84 F HN 0.365 nan 8.300 nan 0.000 0.457 85 D N 4.798 125.520 120.400 0.537 0.000 2.422 85 D HA 0.232 4.872 4.640 -0.000 0.000 0.227 85 D C 1.083 177.699 176.300 0.527 0.000 1.190 85 D CA 0.337 54.613 54.000 0.460 0.000 0.905 85 D CB 1.550 42.558 40.800 0.347 0.000 1.034 85 D HN 0.669 nan 8.370 nan 0.000 0.507 86 A N 4.351 127.446 122.820 0.458 0.000 1.892 86 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 86 A C 2.208 179.966 177.584 0.290 0.000 1.188 86 A CA 2.133 54.409 52.037 0.398 0.000 0.631 86 A CB -0.688 18.363 19.000 0.084 0.000 0.822 86 A HN 0.655 nan 8.150 nan 0.000 0.447 87 A N -0.360 122.572 122.820 0.188 0.000 1.908 87 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 87 A C 2.541 180.080 177.584 -0.075 0.000 1.181 87 A CA 2.523 54.595 52.037 0.058 0.000 0.627 87 A CB -1.116 17.927 19.000 0.070 0.000 0.818 87 A HN 1.203 nan 8.150 nan 0.000 0.445 88 A N -1.273 121.602 122.820 0.091 0.000 1.902 88 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 88 A C 2.034 179.623 177.584 0.008 0.000 1.181 88 A CA 1.617 53.728 52.037 0.125 0.000 0.623 88 A CB -0.741 18.485 19.000 0.376 0.000 0.818 88 A HN 0.673 nan 8.150 nan 0.000 0.443 89 F N 1.143 120.848 119.950 -0.409 0.000 2.043 89 F HA -0.182 4.345 4.527 -0.000 0.000 0.297 89 F C 2.594 178.181 175.800 -0.355 0.000 1.121 89 F CA 1.533 58.970 58.000 -0.937 0.000 1.199 89 F CB -0.767 37.721 39.000 -0.854 0.000 0.968 89 F HN 0.258 nan 8.300 nan 0.000 0.478 90 A N 0.439 123.191 122.820 -0.112 0.000 1.892 90 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 90 A C 2.436 179.939 177.584 -0.136 0.000 1.188 90 A CA 2.435 54.447 52.037 -0.041 0.000 0.631 90 A CB -1.722 17.480 19.000 0.337 0.000 0.822 90 A HN 0.606 nan 8.150 nan 0.000 0.447 91 A N -0.646 121.929 122.820 -0.408 0.000 1.908 91 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 91 A C 2.159 179.689 177.584 -0.089 0.000 1.181 91 A CA 1.831 53.678 52.037 -0.318 0.000 0.627 91 A CB -0.679 18.054 19.000 -0.446 0.000 0.818 91 A HN 0.797 nan 8.150 nan 0.000 0.445 92 L N 0.974 122.107 121.223 -0.149 0.000 2.012 92 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 92 L C 2.779 179.552 176.870 -0.162 0.000 1.073 92 L CA 2.924 57.693 54.840 -0.118 0.000 0.748 92 L CB -0.813 41.174 42.059 -0.121 0.000 0.891 92 L HN 0.543 nan 8.230 nan 0.000 0.431 93 S N -0.723 114.792 115.700 -0.309 0.000 2.353 93 S HA -0.162 4.308 4.470 -0.000 0.000 0.222 93 S C 2.160 176.620 174.600 -0.234 0.000 1.035 93 S CA 1.029 59.025 58.200 -0.340 0.000 1.025 93 S CB -1.977 60.959 63.200 -0.439 0.000 0.902 93 S HN 0.502 nan 8.310 nan 0.000 0.440 94 G N 0.126 108.884 108.800 -0.071 0.000 2.537 94 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.220 94 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.220 94 G C 1.279 176.282 174.900 0.173 0.000 1.111 94 G CA 1.271 46.434 45.100 0.105 0.000 0.748 94 G HN 0.584 nan 8.290 nan 0.000 0.564 95 T N -0.113 114.504 114.554 0.107 0.000 3.069 95 T HA 0.336 4.686 4.350 -0.000 0.000 0.252 95 T C 0.122 174.922 174.700 0.166 0.000 1.053 95 T CA -0.500 61.715 62.100 0.192 0.000 0.964 95 T CB -0.134 68.918 68.868 0.307 0.000 1.005 95 T HN -0.081 nan 8.240 nan 0.000 0.532 96 L N 3.317 124.548 121.223 0.013 0.000 2.278 96 L HA 0.424 4.764 4.340 -0.000 0.000 0.287 96 L C 0.432 177.252 176.870 -0.084 0.000 1.072 96 L CA -0.193 54.614 54.840 -0.055 0.000 0.819 96 L CB 0.963 42.916 42.059 -0.177 0.000 1.176 96 L HN 0.050 nan 8.230 nan 0.000 0.435 97 K N 1.933 122.300 120.400 -0.056 0.000 2.286 97 K HA 0.369 4.689 4.320 -0.000 0.000 0.256 97 K C 0.248 176.768 176.600 -0.134 0.000 0.999 97 K CA -0.284 55.972 56.287 -0.052 0.000 0.908 97 K CB 0.280 32.741 32.500 -0.066 0.000 0.981 97 K HN 0.715 nan 8.250 nan 0.000 0.500 98 A N 0.933 123.683 122.820 -0.116 0.000 2.520 98 A HA 0.389 4.709 4.320 -0.000 0.000 0.245 98 A C 1.161 178.631 177.584 -0.189 0.000 1.072 98 A CA 0.617 52.519 52.037 -0.225 0.000 0.761 98 A CB -0.743 18.073 19.000 -0.306 0.000 1.004 98 A HN 0.895 nan 8.150 nan 0.000 0.499 99 G N 1.766 110.417 108.800 -0.248 0.000 2.157 99 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.239 99 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.239 99 G C 0.359 175.122 174.900 -0.228 0.000 0.982 99 G CA 0.252 45.217 45.100 -0.225 0.000 0.650 99 G HN 1.104 nan 8.290 nan 0.000 0.527 100 S N -0.695 114.845 115.700 -0.267 0.000 2.616 100 S HA 0.678 5.148 4.470 -0.000 0.000 0.277 100 S C -0.401 174.142 174.600 -0.094 0.000 1.234 100 S CA -0.349 57.756 58.200 -0.158 0.000 1.028 100 S CB 1.063 64.131 63.200 -0.220 0.000 0.988 100 S HN 0.341 nan 8.310 nan 0.000 0.522 101 W N 1.973 123.376 121.300 0.172 0.000 2.520 101 W HA 0.553 5.213 4.660 -0.000 0.000 0.323 101 W C -0.629 175.862 176.519 -0.048 0.000 1.062 101 W CA -0.711 56.629 57.345 -0.010 0.000 1.215 101 W CB 1.064 30.475 29.460 -0.082 0.000 1.340 101 W HN 0.321 nan 8.180 nan 0.000 0.516 102 L N 5.191 126.564 121.223 0.250 0.000 2.280 102 L HA 0.571 4.911 4.340 -0.000 0.000 0.287 102 L C -0.965 176.035 176.870 0.217 0.000 1.023 102 L CA -0.939 53.980 54.840 0.131 0.000 0.819 102 L CB 0.718 42.766 42.059 -0.019 0.000 1.212 102 L HN 0.151 nan 8.230 nan 0.000 0.420 103 V N 6.564 126.587 119.914 0.182 0.000 2.348 103 V HA 0.309 4.429 4.120 -0.000 0.000 0.270 103 V C -0.044 176.083 176.094 0.054 0.000 1.037 103 V CA -0.544 61.819 62.300 0.106 0.000 0.872 103 V CB 1.147 33.009 31.823 0.064 0.000 1.002 103 V HN 0.678 nan 8.190 nan 0.000 0.464 104 L N 6.952 128.229 121.223 0.089 0.000 2.257 104 L HA 0.527 4.867 4.340 -0.000 0.000 0.290 104 L C -0.543 176.303 176.870 -0.040 0.000 1.044 104 L CA -0.074 54.818 54.840 0.086 0.000 0.810 104 L CB 1.028 43.188 42.059 0.167 0.000 1.193 104 L HN 0.422 nan 8.230 nan 0.000 0.425 105 L N 6.227 127.382 121.223 -0.113 0.000 2.290 105 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 105 L C -0.375 176.377 176.870 -0.197 0.000 1.078 105 L CA 0.264 55.009 54.840 -0.159 0.000 0.815 105 L CB 1.055 43.004 42.059 -0.184 0.000 1.162 105 L HN 0.534 nan 8.230 nan 0.000 0.435 106 L N 6.204 127.287 121.223 -0.233 0.000 2.350 106 L HA 0.737 5.077 4.340 -0.000 0.000 0.260 106 L C -2.178 174.490 176.870 -0.336 0.000 1.015 106 L CA -1.725 52.860 54.840 -0.424 0.000 0.821 106 L CB 2.310 43.954 42.059 -0.691 0.000 1.370 106 L HN 0.364 nan 8.230 nan 0.000 0.416 107 P HA 0.127 nan 4.420 nan 0.000 0.277 107 P C -0.497 176.726 177.300 -0.128 0.000 1.276 107 P CA -0.350 62.625 63.100 -0.209 0.000 0.788 107 P CB 0.541 32.155 31.700 -0.143 0.000 1.114 108 V N 2.005 121.896 119.914 -0.038 0.000 2.539 108 V HA -0.155 3.965 4.120 -0.000 0.000 0.300 108 V C 1.988 178.150 176.094 0.113 0.000 1.019 108 V CA 0.456 62.767 62.300 0.018 0.000 1.160 108 V CB -0.784 31.046 31.823 0.012 0.000 0.901 108 V HN 0.712 nan 8.190 nan 0.000 0.481 109 W N 3.761 125.054 121.300 -0.012 0.000 2.290 109 W HA -0.256 4.404 4.660 -0.000 0.000 0.323 109 W C 1.862 178.464 176.519 0.139 0.000 1.260 109 W CA 2.393 59.793 57.345 0.091 0.000 1.266 109 W CB 0.022 29.515 29.460 0.055 0.000 1.149 109 W HN 0.727 nan 8.180 nan 0.000 0.482 110 E N -0.243 120.135 120.200 0.297 0.000 2.265 110 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 110 E C 1.701 178.352 176.600 0.084 0.000 0.996 110 E CA 1.839 58.349 56.400 0.183 0.000 0.832 110 E CB -0.349 29.444 29.700 0.156 0.000 0.756 110 E HN 0.602 nan 8.360 nan 0.000 0.491 111 E N -1.446 118.806 120.200 0.088 0.000 2.548 111 E HA -0.020 4.330 4.350 -0.000 0.000 0.206 111 E C 1.073 177.743 176.600 0.116 0.000 1.005 111 E CA -0.393 56.050 56.400 0.071 0.000 0.951 111 E CB -0.244 29.492 29.700 0.061 0.000 1.035 111 E HN 0.185 nan 8.360 nan 0.000 0.470 112 W N 2.881 124.097 121.300 -0.139 0.000 2.379 112 W HA -0.035 4.625 4.660 -0.000 0.000 0.307 112 W C 1.457 177.888 176.519 -0.147 0.000 1.200 112 W CA 1.598 58.844 57.345 -0.165 0.000 1.297 112 W CB -0.229 29.052 29.460 -0.298 0.000 1.140 112 W HN 0.070 nan 8.180 nan 0.000 0.507 113 E N -0.389 119.687 120.200 -0.206 0.000 2.147 113 E HA -0.251 4.099 4.350 -0.000 0.000 0.199 113 E C 1.345 177.841 176.600 -0.173 0.000 1.005 113 E CA 1.492 57.696 56.400 -0.326 0.000 0.810 113 E CB -0.349 29.184 29.700 -0.279 0.000 0.736 113 E HN 0.285 nan 8.360 nan 0.000 0.460 114 N N 0.485 119.144 118.700 -0.069 0.000 2.203 114 N HA -0.014 4.726 4.740 -0.000 0.000 0.207 114 N C -0.237 175.282 175.510 0.015 0.000 1.130 114 N CA 0.089 53.117 53.050 -0.036 0.000 0.861 114 N CB 0.612 39.082 38.487 -0.028 0.000 1.005 114 N HN 0.178 nan 8.380 nan 0.000 0.507 115 Q N 2.725 122.563 119.800 0.062 0.000 2.288 115 Q HA 0.204 4.544 4.340 -0.000 0.000 0.258 115 Q C -2.338 173.725 176.000 0.104 0.000 0.957 115 Q CA -1.677 54.186 55.803 0.100 0.000 0.919 115 Q CB 1.136 29.966 28.738 0.152 0.000 1.185 115 Q HN 0.026 nan 8.270 nan 0.000 0.408 116 P HA -0.087 nan 4.420 nan 0.000 0.267 116 P C -0.990 176.374 177.300 0.106 0.000 1.200 116 P CA 0.242 63.382 63.100 0.066 0.000 0.772 116 P CB 0.623 32.344 31.700 0.036 0.000 0.855 117 D N 1.746 122.202 120.400 0.093 0.000 2.373 117 D HA 0.265 4.905 4.640 -0.000 0.000 0.227 117 D C 1.186 177.522 176.300 0.059 0.000 1.091 117 D CA -0.491 53.590 54.000 0.134 0.000 0.840 117 D CB 1.334 42.248 40.800 0.190 0.000 1.060 117 D HN 0.267 nan 8.370 nan 0.000 0.502 118 A N 3.830 126.697 122.820 0.079 0.000 2.024 118 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 118 A C 1.743 179.325 177.584 -0.002 0.000 1.164 118 A CA 1.484 53.537 52.037 0.026 0.000 0.643 118 A CB -0.176 18.852 19.000 0.046 0.000 0.806 118 A HN 0.727 nan 8.150 nan 0.000 0.451 119 D N 0.327 120.760 120.400 0.055 0.000 2.312 119 D HA -0.123 4.516 4.640 -0.000 0.000 0.211 119 D C 1.804 178.048 176.300 -0.093 0.000 0.964 119 D CA 1.403 55.444 54.000 0.068 0.000 0.877 119 D CB -0.210 40.720 40.800 0.217 0.000 0.924 119 D HN 0.501 nan 8.370 nan 0.000 0.515 120 S N 0.290 115.827 115.700 -0.272 0.000 2.442 120 S HA -0.106 4.364 4.470 -0.000 0.000 0.236 120 S C 2.127 176.136 174.600 -0.984 0.000 1.007 120 S CA 0.103 57.705 58.200 -0.997 0.000 0.965 120 S CB -0.455 62.277 63.200 -0.779 0.000 0.773 120 S HN 0.208 nan 8.310 nan 0.000 0.504 121 L N 1.379 122.327 121.223 -0.460 0.000 2.265 121 L HA 0.028 4.368 4.340 -0.000 0.000 0.215 121 L C 2.561 179.278 176.870 -0.254 0.000 1.117 121 L CA 1.461 56.120 54.840 -0.301 0.000 0.782 121 L CB -1.134 40.832 42.059 -0.155 0.000 0.914 121 L HN 0.460 nan 8.230 nan 0.000 0.441 122 R N -0.906 119.440 120.500 -0.257 0.000 2.276 122 R HA -0.102 4.238 4.340 -0.000 0.000 0.203 122 R C 1.477 177.818 176.300 0.070 0.000 1.017 122 R CA 1.040 57.113 56.100 -0.045 0.000 1.010 122 R CB 0.025 30.386 30.300 0.102 0.000 0.900 122 R HN 0.597 nan 8.270 nan 0.000 0.469 123 W N -2.238 119.080 121.300 0.029 0.000 1.526 123 W HA 0.239 4.899 4.660 -0.000 0.000 0.218 123 W C 0.623 177.164 176.519 0.036 0.000 0.797 123 W CA 0.262 57.627 57.345 0.033 0.000 0.997 123 W CB -0.496 28.982 29.460 0.030 0.000 0.926 123 W HN 0.006 nan 8.180 nan 0.000 0.483 124 S N -0.001 115.568 115.700 -0.219 0.000 2.501 124 S HA -0.016 4.454 4.470 -0.000 0.000 0.220 124 S C 0.686 175.281 174.600 -0.008 0.000 0.997 124 S CA 0.924 59.066 58.200 -0.097 0.000 0.919 124 S CB -0.494 62.448 63.200 -0.430 0.000 0.778 124 S HN 0.132 nan 8.310 nan 0.000 0.523 125 D N 0.266 120.649 120.400 -0.028 0.000 2.911 125 D HA -0.132 4.508 4.640 -0.000 0.000 0.227 125 D C -0.627 175.662 176.300 -0.018 0.000 1.164 125 D CA 0.845 54.845 54.000 0.001 0.000 0.782 125 D CB -2.103 38.725 40.800 0.046 0.000 1.094 125 D HN 0.469 nan 8.370 nan 0.000 0.425 126 C N 0.343 119.605 119.300 -0.062 0.000 2.397 126 C HA 0.350 4.810 4.460 -0.000 0.000 0.343 126 C C -0.053 174.902 174.990 -0.058 0.000 1.188 126 C CA -1.233 57.752 59.018 -0.054 0.000 1.992 126 C CB 1.475 29.170 27.740 -0.075 0.000 2.358 126 C HN 0.178 nan 8.230 nan 0.000 0.518 127 P HA -0.050 nan 4.420 nan 0.000 0.216 127 P C -0.195 177.077 177.300 -0.046 0.000 1.153 127 P CA 1.547 64.628 63.100 -0.031 0.000 0.848 127 P CB 0.314 32.006 31.700 -0.015 0.000 0.787 128 D N -0.400 119.969 120.400 -0.053 0.000 2.423 128 D HA 0.333 4.973 4.640 -0.000 0.000 0.235 128 D C -2.489 173.760 176.300 -0.084 0.000 1.011 128 D CA -1.939 52.026 54.000 -0.059 0.000 0.963 128 D CB 1.068 41.844 40.800 -0.040 0.000 1.349 128 D HN 0.019 nan 8.370 nan 0.000 0.508 129 P HA 0.100 nan 4.420 nan 0.000 0.268 129 P C -0.664 176.589 177.300 -0.079 0.000 1.208 129 P CA 0.054 63.096 63.100 -0.097 0.000 0.777 129 P CB 0.604 32.273 31.700 -0.053 0.000 0.875 130 I N -2.995 117.519 120.570 -0.094 0.000 3.108 130 I HA 0.662 4.832 4.170 -0.000 0.000 0.312 130 I C 1.034 177.145 176.117 -0.011 0.000 1.095 130 I CA -1.297 59.971 61.300 -0.053 0.000 1.000 130 I CB 1.640 39.602 38.000 -0.064 0.000 1.229 130 I HN 0.230 nan 8.210 nan 0.000 0.454 131 A N 1.990 124.809 122.820 -0.001 0.000 1.898 131 A HA -0.017 4.302 4.320 -0.000 0.000 0.216 131 A C 1.412 179.003 177.584 0.012 0.000 1.181 131 A CA 2.198 54.238 52.037 0.004 0.000 0.620 131 A CB -1.151 17.833 19.000 -0.027 0.000 0.819 131 A HN 1.747 nan 8.150 nan 0.000 0.442 132 T N -3.115 111.451 114.554 0.021 0.000 3.704 132 T HA -0.122 4.228 4.350 -0.000 0.000 0.388 132 T C -0.843 173.798 174.700 -0.098 0.000 0.763 132 T CA 0.798 62.919 62.100 0.036 0.000 2.005 132 T CB -1.864 67.109 68.868 0.174 0.000 1.752 132 T HN 0.482 nan 8.240 nan 0.000 0.747 133 P HA -0.036 nan 4.420 nan 0.000 0.222 133 P C 1.366 178.468 177.300 -0.331 0.000 1.153 133 P CA 1.065 63.972 63.100 -0.322 0.000 0.798 133 P CB -0.021 31.484 31.700 -0.325 0.000 0.796 134 H N -1.211 117.754 119.070 -0.174 0.000 2.389 134 H HA -0.042 4.514 4.556 -0.000 0.000 0.299 134 H C 1.851 176.992 175.328 -0.312 0.000 1.081 134 H CA 0.906 56.819 56.048 -0.227 0.000 1.345 134 H CB -1.009 28.576 29.762 -0.296 0.000 1.393 134 H HN 0.117 nan 8.280 nan 0.000 0.520 135 F N 1.279 121.024 119.950 -0.342 0.000 2.186 135 F HA -0.127 4.400 4.527 -0.000 0.000 0.299 135 F C 2.214 177.724 175.800 -0.484 0.000 1.090 135 F CA 0.561 58.306 58.000 -0.423 0.000 1.307 135 F CB -0.418 38.336 39.000 -0.411 0.000 1.019 135 F HN -0.154 nan 8.300 nan 0.000 0.489 136 V N 0.318 119.843 119.914 -0.648 0.000 2.358 136 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 136 V C 2.289 177.847 176.094 -0.894 0.000 1.047 136 V CA 2.123 63.721 62.300 -1.170 0.000 1.035 136 V CB -0.852 30.162 31.823 -1.348 0.000 0.658 136 V HN 0.350 nan 8.190 nan 0.000 0.452 137 Q N -0.611 118.874 119.800 -0.525 0.000 2.061 137 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 137 Q C 2.297 178.145 176.000 -0.254 0.000 0.984 137 Q CA 2.239 57.858 55.803 -0.308 0.000 0.846 137 Q CB -0.351 28.314 28.738 -0.123 0.000 0.902 137 Q HN 0.769 nan 8.270 nan 0.000 0.421 138 H N 0.347 119.188 119.070 -0.382 0.000 2.319 138 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 138 H C 1.672 176.766 175.328 -0.390 0.000 1.092 138 H CA 1.463 57.303 56.048 -0.346 0.000 1.302 138 H CB -0.105 29.401 29.762 -0.427 0.000 1.373 138 H HN 0.086 nan 8.280 nan 0.000 0.497 139 L N 0.935 121.766 121.223 -0.654 0.000 2.042 139 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 139 L C 2.340 179.044 176.870 -0.277 0.000 1.076 139 L CA 1.724 56.227 54.840 -0.561 0.000 0.749 139 L CB -0.753 40.938 42.059 -0.613 0.000 0.893 139 L HN 0.271 nan 8.230 nan 0.000 0.432 140 K N -0.960 119.277 120.400 -0.273 0.000 2.097 140 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 140 K C 2.230 178.843 176.600 0.022 0.000 1.049 140 K CA 1.271 57.550 56.287 -0.012 0.000 0.933 140 K CB -0.138 32.331 32.500 -0.052 0.000 0.717 140 K HN 0.217 nan 8.250 nan 0.000 0.442 141 R N 0.483 120.926 120.500 -0.096 0.000 2.082 141 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 141 R C 2.504 178.753 176.300 -0.086 0.000 1.136 141 R CA 1.795 57.851 56.100 -0.074 0.000 0.935 141 R CB -0.725 29.519 30.300 -0.093 0.000 0.842 141 R HN 0.221 nan 8.270 nan 0.000 0.430 142 V N -0.135 119.658 119.914 -0.202 0.000 2.515 142 V HA -0.134 3.986 4.120 -0.000 0.000 0.250 142 V C 1.839 177.912 176.094 -0.035 0.000 1.058 142 V CA 1.608 63.821 62.300 -0.145 0.000 1.064 142 V CB -0.498 31.180 31.823 -0.242 0.000 0.675 142 V HN 0.255 nan 8.190 nan 0.000 0.461 143 L N 1.479 122.706 121.223 0.007 0.000 2.056 143 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 143 L C 2.875 179.815 176.870 0.117 0.000 1.078 143 L CA 2.067 56.971 54.840 0.107 0.000 0.749 143 L CB -1.038 41.152 42.059 0.219 0.000 0.901 143 L HN 0.624 nan 8.230 nan 0.000 0.433 144 T N -3.388 111.233 114.554 0.112 0.000 3.081 144 T HA 0.184 4.534 4.350 -0.000 0.000 0.255 144 T C 1.841 176.576 174.700 0.057 0.000 1.113 144 T CA 0.487 62.642 62.100 0.092 0.000 1.082 144 T CB 0.089 69.023 68.868 0.110 0.000 0.939 144 T HN 0.239 nan 8.240 nan 0.000 0.506 145 A N 2.976 125.822 122.820 0.042 0.000 1.849 145 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 145 A C 1.081 178.690 177.584 0.042 0.000 1.202 145 A CA 1.657 53.713 52.037 0.032 0.000 0.629 145 A CB -0.905 18.106 19.000 0.018 0.000 0.834 145 A HN 0.837 nan 8.150 nan 0.000 0.447 146 D N -3.180 117.252 120.400 0.054 0.000 2.525 146 D HA 0.373 5.013 4.640 -0.000 0.000 0.249 146 D C 0.194 176.555 176.300 0.101 0.000 1.072 146 D CA -0.262 53.780 54.000 0.070 0.000 1.067 146 D CB 0.381 41.224 40.800 0.071 0.000 1.282 146 D HN 0.205 nan 8.370 nan 0.000 0.587 147 N N -0.080 118.703 118.700 0.138 0.000 2.370 147 N HA -0.083 4.657 4.740 -0.000 0.000 0.198 147 N C 0.395 176.125 175.510 0.367 0.000 1.156 147 N CA 0.121 53.292 53.050 0.202 0.000 0.839 147 N CB -0.035 38.543 38.487 0.151 0.000 0.989 147 N HN 0.374 nan 8.380 nan 0.000 0.468 148 E N 0.661 121.000 120.200 0.231 0.000 2.204 148 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 148 E C 0.256 176.905 176.600 0.081 0.000 0.990 148 E CA 0.507 56.957 56.400 0.084 0.000 0.821 148 E CB -0.026 29.665 29.700 -0.016 0.000 0.750 148 E HN 0.554 nan 8.360 nan 0.000 0.477 149 A N 1.550 124.468 122.820 0.164 0.000 2.292 149 A HA 0.427 4.747 4.320 -0.000 0.000 0.319 149 A C -0.058 177.692 177.584 0.278 0.000 1.206 149 A CA -0.583 51.579 52.037 0.208 0.000 0.835 149 A CB 0.520 19.628 19.000 0.181 0.000 1.164 149 A HN -0.031 nan 8.150 nan 0.000 0.505 150 I N 3.169 123.955 120.570 0.360 0.000 2.379 150 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 150 I C -0.524 175.789 176.117 0.327 0.000 1.063 150 I CA -0.248 61.274 61.300 0.370 0.000 1.351 150 I CB 0.053 38.319 38.000 0.442 0.000 1.410 150 I HN 0.390 nan 8.210 nan 0.000 0.505 151 L N 7.178 128.575 121.223 0.289 0.000 2.262 151 L HA 0.313 4.653 4.340 -0.000 0.000 0.288 151 L C -0.581 176.515 176.870 0.378 0.000 1.035 151 L CA 0.023 55.014 54.840 0.250 0.000 0.820 151 L CB 1.082 43.187 42.059 0.077 0.000 1.204 151 L HN 0.522 nan 8.230 nan 0.000 0.424 152 W N 5.920 127.304 121.300 0.141 0.000 2.363 152 W HA 0.462 5.122 4.660 -0.000 0.000 0.314 152 W C -0.484 176.109 176.519 0.123 0.000 0.994 152 W CA -1.194 56.209 57.345 0.097 0.000 1.449 152 W CB 0.840 30.146 29.460 -0.255 0.000 1.248 152 W HN 0.449 nan 8.180 nan 0.000 0.409 153 R N 2.947 123.676 120.500 0.381 0.000 2.407 153 R HA 0.203 4.543 4.340 -0.000 0.000 0.303 153 R C 0.180 176.356 176.300 -0.206 0.000 0.981 153 R CA -0.833 55.288 56.100 0.035 0.000 0.905 153 R CB 2.008 32.260 30.300 -0.081 0.000 1.099 153 R HN 0.419 nan 8.270 nan 0.000 0.459 154 Q N 2.373 121.591 119.800 -0.969 0.000 2.269 154 Q HA -0.155 4.185 4.340 -0.000 0.000 0.300 154 Q C -0.622 175.054 176.000 -0.539 0.000 1.070 154 Q CA 0.978 55.921 55.803 -1.433 0.000 0.957 154 Q CB 0.061 27.627 28.738 -1.954 0.000 1.131 154 Q HN 0.744 nan 8.270 nan 0.000 0.377 155 N N 2.038 120.580 118.700 -0.264 0.000 2.818 155 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 155 N C -1.320 174.173 175.510 -0.028 0.000 1.108 155 N CA 0.366 53.363 53.050 -0.088 0.000 0.745 155 N CB -0.256 38.153 38.487 -0.130 0.000 1.104 155 N HN 0.600 nan 8.380 nan 0.000 0.557 156 Q N 0.559 120.375 119.800 0.027 0.000 2.325 156 Q HA 0.330 4.670 4.340 -0.000 0.000 0.270 156 Q C -2.333 173.733 176.000 0.110 0.000 1.020 156 Q CA -1.467 54.358 55.803 0.037 0.000 0.785 156 Q CB 1.917 30.660 28.738 0.007 0.000 1.259 156 Q HN 0.119 nan 8.270 nan 0.000 0.452 157 P HA -0.016 nan 4.420 nan 0.000 0.264 157 P C -0.749 176.593 177.300 0.070 0.000 1.183 157 P CA 0.107 63.250 63.100 0.073 0.000 0.763 157 P CB 0.321 32.031 31.700 0.016 0.000 0.807 158 F N 2.453 122.329 119.950 -0.123 0.000 2.404 158 F HA 0.480 5.007 4.527 -0.000 0.000 0.339 158 F C 0.083 175.728 175.800 -0.259 0.000 1.105 158 F CA -0.231 57.585 58.000 -0.307 0.000 1.087 158 F CB 1.562 40.120 39.000 -0.736 0.000 1.143 158 F HN 0.294 nan 8.300 nan 0.000 0.491 159 S N 6.148 121.158 115.700 -1.149 0.000 2.571 159 S HA 0.618 5.088 4.470 -0.000 0.000 0.284 159 S C -2.008 171.925 174.600 -1.111 0.000 1.128 159 S CA -0.659 57.038 58.200 -0.839 0.000 0.970 159 S CB 1.123 64.070 63.200 -0.422 0.000 1.039 159 S HN 0.689 nan 8.310 nan 0.000 0.485 160 L N 5.270 126.033 121.223 -0.766 0.000 2.277 160 L HA 0.796 5.136 4.340 -0.000 0.000 0.284 160 L C 0.416 177.055 176.870 -0.386 0.000 1.028 160 L CA -0.168 54.361 54.840 -0.519 0.000 0.835 160 L CB 0.468 42.371 42.059 -0.259 0.000 1.215 160 L HN 0.837 nan 8.230 nan 0.000 0.425 161 A N 3.729 126.329 122.820 -0.366 0.000 2.429 161 A HA 0.294 4.614 4.320 -0.000 0.000 0.242 161 A C -0.434 176.764 177.584 -0.643 0.000 1.088 161 A CA 0.127 51.925 52.037 -0.398 0.000 0.784 161 A CB -0.160 18.585 19.000 -0.426 0.000 1.038 161 A HN 0.823 nan 8.150 nan 0.000 0.501 162 H N -1.180 117.556 119.070 -0.557 0.000 2.483 162 H HA 0.623 5.179 4.556 -0.000 0.000 0.338 162 H C -1.196 173.742 175.328 -0.651 0.000 1.152 162 H CA -0.010 55.767 56.048 -0.451 0.000 1.264 162 H CB 0.901 30.542 29.762 -0.201 0.000 1.510 162 H HN 0.463 nan 8.280 nan 0.000 0.530 163 F N -0.060 119.946 119.950 0.093 0.000 2.540 163 F HA 0.247 4.774 4.527 -0.000 0.000 0.317 163 F C 0.127 175.955 175.800 0.047 0.000 1.104 163 F CA -1.240 56.790 58.000 0.050 0.000 0.913 163 F CB 1.484 40.492 39.000 0.013 0.000 1.170 163 F HN 0.426 nan 8.300 nan 0.000 0.450 164 T N 2.431 117.122 114.554 0.229 0.000 2.758 164 T HA 0.133 4.483 4.350 -0.000 0.000 0.281 164 T C -2.327 172.446 174.700 0.122 0.000 0.963 164 T CA -1.270 60.913 62.100 0.137 0.000 1.201 164 T CB -0.342 68.588 68.868 0.103 0.000 0.906 164 T HN 0.271 nan 8.240 nan 0.000 0.528 165 P HA 0.037 nan 4.420 nan 0.000 0.260 165 P C -0.041 177.295 177.300 0.060 0.000 1.172 165 P CA 0.007 63.153 63.100 0.077 0.000 0.760 165 P CB 0.675 32.417 31.700 0.070 0.000 0.773 166 R N 1.488 122.016 120.500 0.047 0.000 2.607 166 R HA 0.444 4.784 4.340 -0.000 0.000 0.261 166 R C 0.512 176.847 176.300 0.059 0.000 1.051 166 R CA -0.785 55.342 56.100 0.046 0.000 1.110 166 R CB 0.381 30.696 30.300 0.025 0.000 1.158 166 R HN 0.368 nan 8.270 nan 0.000 0.543 167 T N 1.143 115.742 114.554 0.075 0.000 2.903 167 T HA -0.001 4.349 4.350 -0.000 0.000 0.314 167 T C -0.069 174.700 174.700 0.114 0.000 1.078 167 T CA -0.283 61.875 62.100 0.097 0.000 1.114 167 T CB 0.217 69.150 68.868 0.109 0.000 0.987 167 T HN 0.376 nan 8.240 nan 0.000 0.548 168 D N 0.965 121.445 120.400 0.133 0.000 2.458 168 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 168 D C -0.429 175.909 176.300 0.065 0.000 1.146 168 D CA 0.209 54.261 54.000 0.087 0.000 0.877 168 D CB 0.678 41.611 40.800 0.222 0.000 1.176 168 D HN 0.542 nan 8.370 nan 0.000 0.461 169 W N 3.090 124.170 121.300 -0.367 0.000 2.578 169 W HA 0.419 5.079 4.660 -0.000 0.000 0.346 169 W C -1.446 174.624 176.519 -0.748 0.000 1.075 169 W CA -0.544 56.619 57.345 -0.303 0.000 1.233 169 W CB 0.802 30.167 29.460 -0.157 0.000 1.358 169 W HN 0.249 nan 8.180 nan 0.000 0.574 170 Y N 3.971 123.521 120.300 -1.251 0.000 2.524 170 Y HA 0.441 4.991 4.550 -0.000 0.000 0.347 170 Y C -1.756 173.186 175.900 -1.596 0.000 1.005 170 Y CA -2.534 54.888 58.100 -1.130 0.000 1.025 170 Y CB 0.968 39.115 38.460 -0.522 0.000 1.275 170 Y HN 0.234 nan 8.280 nan 0.000 0.460 171 P HA 0.112 nan 4.420 nan 0.000 0.271 171 P C -0.937 176.226 177.300 -0.227 0.000 1.233 171 P CA -0.137 62.706 63.100 -0.428 0.000 0.795 171 P CB 0.466 32.081 31.700 -0.142 0.000 0.936 172 A N 0.597 123.373 122.820 -0.073 0.000 2.302 172 A HA 0.304 4.624 4.320 -0.000 0.000 0.295 172 A C 1.287 178.862 177.584 -0.014 0.000 1.235 172 A CA 0.051 52.070 52.037 -0.029 0.000 0.876 172 A CB -0.530 18.487 19.000 0.029 0.000 1.133 172 A HN 0.628 nan 8.150 nan 0.000 0.533 173 T N 0.005 114.541 114.554 -0.031 0.000 3.155 173 T HA 0.276 4.626 4.350 -0.000 0.000 0.264 173 T C 1.293 175.987 174.700 -0.009 0.000 1.160 173 T CA 1.093 63.177 62.100 -0.028 0.000 1.075 173 T CB -0.361 68.480 68.868 -0.045 0.000 0.921 173 T HN 2.293 nan 8.240 nan 0.000 0.533 174 G N -0.145 108.670 108.800 0.026 0.000 2.148 174 G HA2 0.139 4.099 3.960 -0.000 0.000 0.203 174 G HA3 0.139 4.099 3.960 -0.000 0.000 0.203 174 G C 0.127 175.052 174.900 0.041 0.000 0.993 174 G CA -0.279 44.838 45.100 0.028 0.000 0.661 174 G HN 1.159 nan 8.290 nan 0.000 0.518 175 A N -0.085 122.770 122.820 0.058 0.000 2.347 175 A HA 1.014 5.334 4.320 -0.000 0.000 0.301 175 A C -2.269 175.367 177.584 0.086 0.000 1.163 175 A CA -1.066 51.005 52.037 0.057 0.000 0.860 175 A CB 1.311 20.315 19.000 0.007 0.000 1.367 175 A HN 0.265 nan 8.150 nan 0.000 0.461 176 P HA 0.227 nan 4.420 nan 0.000 0.274 176 P C -0.927 176.367 177.300 -0.010 0.000 1.231 176 P CA -0.143 62.969 63.100 0.019 0.000 0.790 176 P CB 0.676 32.377 31.700 0.002 0.000 0.951 177 Q N 1.792 121.577 119.800 -0.026 0.000 2.249 177 Q HA 0.180 4.520 4.340 -0.000 0.000 0.226 177 Q C -1.312 174.668 176.000 -0.032 0.000 0.983 177 Q CA -1.739 54.045 55.803 -0.032 0.000 0.930 177 Q CB 0.202 28.920 28.738 -0.034 0.000 1.193 177 Q HN 0.360 nan 8.270 nan 0.000 0.508 178 P HA -0.169 nan 4.420 nan 0.000 0.221 178 P C 0.640 177.924 177.300 -0.027 0.000 1.145 178 P CA 1.388 64.471 63.100 -0.027 0.000 0.795 178 P CB 0.402 32.089 31.700 -0.022 0.000 0.775 179 E N -0.543 119.642 120.200 -0.026 0.000 2.230 179 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 179 E C 2.250 178.828 176.600 -0.037 0.000 0.987 179 E CA 0.417 56.803 56.400 -0.024 0.000 0.841 179 E CB 0.024 29.715 29.700 -0.017 0.000 0.783 179 E HN 0.271 nan 8.360 nan 0.000 0.481 180 Q N -0.065 119.708 119.800 -0.045 0.000 2.008 180 Q HA -0.183 4.157 4.340 -0.000 0.000 0.196 180 Q C 2.143 178.108 176.000 -0.058 0.000 0.973 180 Q CA 1.263 57.032 55.803 -0.056 0.000 0.826 180 Q CB -0.068 28.632 28.738 -0.063 0.000 0.894 180 Q HN 0.057 nan 8.270 nan 0.000 0.439 181 Q N 1.163 120.935 119.800 -0.047 0.000 2.112 181 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 181 Q C 1.854 177.820 176.000 -0.057 0.000 0.987 181 Q CA 1.900 57.675 55.803 -0.047 0.000 0.858 181 Q CB -0.168 28.548 28.738 -0.037 0.000 0.905 181 Q HN 0.321 nan 8.270 nan 0.000 0.420 182 Q N -0.857 118.912 119.800 -0.053 0.000 2.133 182 Q HA -0.162 4.178 4.340 -0.000 0.000 0.208 182 Q C 1.613 177.559 176.000 -0.089 0.000 0.991 182 Q CA 1.438 57.206 55.803 -0.058 0.000 0.867 182 Q CB -0.160 28.551 28.738 -0.045 0.000 0.911 182 Q HN 0.426 nan 8.270 nan 0.000 0.417 183 L N 0.591 121.749 121.223 -0.109 0.000 2.640 183 L HA 0.095 4.435 4.340 -0.000 0.000 0.230 183 L C 1.586 178.363 176.870 -0.156 0.000 1.123 183 L CA -0.063 54.672 54.840 -0.174 0.000 0.900 183 L CB 0.114 42.064 42.059 -0.181 0.000 1.146 183 L HN 0.291 nan 8.230 nan 0.000 0.484 184 L N 0.451 121.607 121.223 -0.112 0.000 1.908 184 L HA -0.210 4.130 4.340 -0.000 0.000 0.227 184 L C 1.642 178.426 176.870 -0.143 0.000 1.087 184 L CA 1.647 56.419 54.840 -0.112 0.000 0.797 184 L CB -0.104 41.906 42.059 -0.083 0.000 0.893 184 L HN 0.044 nan 8.230 nan 0.000 0.432 185 K N 0.045 120.369 120.400 -0.126 0.000 3.095 185 K HA 0.131 4.451 4.320 -0.000 0.000 0.220 185 K C 0.146 176.690 176.600 -0.093 0.000 1.216 185 K CA 0.202 56.413 56.287 -0.127 0.000 1.167 185 K CB 0.459 32.883 32.500 -0.127 0.000 1.199 185 K HN 0.482 nan 8.250 nan 0.000 0.458 186 Q N 0.174 119.904 119.800 -0.117 0.000 2.127 186 Q HA 0.245 4.585 4.340 -0.000 0.000 0.222 186 Q C -0.607 175.319 176.000 -0.123 0.000 0.794 186 Q CA -0.106 55.637 55.803 -0.099 0.000 1.010 186 Q CB 0.830 29.520 28.738 -0.080 0.000 1.170 186 Q HN 0.196 nan 8.270 nan 0.000 0.479 192 P HA 0.441 nan 4.420 nan 0.000 0.271 192 P C -0.235 176.968 177.300 -0.162 0.000 1.226 192 P CA 0.597 63.618 63.100 -0.131 0.000 0.765 192 P CB 0.799 32.440 31.700 -0.098 0.000 0.835 193 G N 1.241 109.863 108.800 -0.298 0.000 2.489 193 G HA2 0.427 4.387 3.960 -0.000 0.000 0.305 193 G HA3 0.427 4.387 3.960 -0.000 0.000 0.305 193 G C -1.813 172.766 174.900 -0.534 0.000 1.311 193 G CA -0.557 44.313 45.100 -0.383 0.000 0.813 193 G HN 0.305 nan 8.290 nan 0.000 0.480 194 V N 0.583 120.125 119.914 -0.620 0.000 2.417 194 V HA 0.738 4.858 4.120 -0.000 0.000 0.291 194 V C 0.543 176.372 176.094 -0.443 0.000 1.024 194 V CA -0.296 61.679 62.300 -0.541 0.000 0.861 194 V CB 0.906 32.351 31.823 -0.631 0.000 0.985 194 V HN 1.340 nan 8.190 nan 0.000 0.436 195 A N 3.804 126.514 122.820 -0.184 0.000 2.312 195 A HA 0.919 5.239 4.320 -0.000 0.000 0.326 195 A C 0.088 177.694 177.584 0.036 0.000 1.172 195 A CA -0.330 51.751 52.037 0.073 0.000 0.821 195 A CB 1.341 20.652 19.000 0.519 0.000 1.166 195 A HN 1.441 nan 8.150 nan 0.000 0.493 196 A N 2.144 124.925 122.820 -0.065 0.000 2.545 196 A HA 0.564 4.884 4.320 -0.000 0.000 0.300 196 A C -0.351 177.260 177.584 0.045 0.000 1.252 196 A CA -0.380 51.673 52.037 0.025 0.000 0.753 196 A CB 0.278 19.310 19.000 0.052 0.000 1.144 196 A HN 1.828 nan 8.150 nan 0.000 0.457 197 V N 1.273 121.288 119.914 0.169 0.000 2.383 197 V HA 0.826 4.946 4.120 -0.000 0.000 0.275 197 V C 0.247 176.406 176.094 0.108 0.000 1.036 197 V CA 0.137 62.553 62.300 0.193 0.000 0.889 197 V CB 0.562 32.527 31.823 0.237 0.000 0.985 197 V HN 0.964 nan 8.190 nan 0.000 0.459 198 T N 2.073 116.678 114.554 0.086 0.000 2.887 198 T HA 0.942 5.292 4.350 -0.000 0.000 0.288 198 T C -0.415 174.306 174.700 0.035 0.000 1.021 198 T CA 0.119 62.248 62.100 0.047 0.000 1.000 198 T CB 1.824 70.721 68.868 0.048 0.000 1.034 198 T HN 2.221 nan 8.240 nan 0.000 0.467 199 A N 1.249 124.069 122.820 -0.000 0.000 2.544 199 A HA 0.845 5.165 4.320 -0.000 0.000 0.291 199 A C -0.095 177.458 177.584 -0.052 0.000 1.055 199 A CA -0.608 51.420 52.037 -0.014 0.000 0.651 199 A CB 0.306 19.296 19.000 -0.016 0.000 1.296 199 A HN 1.688 nan 8.150 nan 0.000 0.431 200 A N 0.251 123.039 122.820 -0.053 0.000 2.325 200 A HA 0.650 4.970 4.320 -0.000 0.000 0.260 200 A C 0.778 178.302 177.584 -0.100 0.000 1.133 200 A CA 0.338 52.324 52.037 -0.084 0.000 0.801 200 A CB 0.053 19.030 19.000 -0.038 0.000 1.092 200 A HN 1.032 nan 8.150 nan 0.000 0.504 201 R N -1.172 119.257 120.500 -0.119 0.000 2.615 201 R HA 0.412 4.752 4.340 -0.000 0.000 0.270 201 R C 1.081 177.346 176.300 -0.057 0.000 1.081 201 R CA 1.017 57.056 56.100 -0.103 0.000 1.154 201 R CB 0.189 30.410 30.300 -0.132 0.000 1.063 201 R HN 1.696 nan 8.270 nan 0.000 0.519 202 G N 2.086 110.839 108.800 -0.078 0.000 2.198 202 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 202 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 202 G C 0.470 175.208 174.900 -0.270 0.000 1.025 202 G CA 0.673 45.668 45.100 -0.175 0.000 0.769 202 G HN 0.574 nan 8.290 nan 0.000 0.507 203 R N -0.768 119.625 120.500 -0.179 0.000 2.308 203 R HA 0.457 4.797 4.340 -0.000 0.000 0.202 203 R C 2.098 178.308 176.300 -0.149 0.000 0.898 203 R CA 1.485 57.486 56.100 -0.164 0.000 1.046 203 R CB 0.313 30.551 30.300 -0.104 0.000 1.026 203 R HN 1.348 nan 8.270 nan 0.000 0.512 204 G N 0.008 108.713 108.800 -0.158 0.000 2.184 204 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.206 204 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.206 204 G C 0.780 175.585 174.900 -0.158 0.000 0.995 204 G CA 0.275 45.265 45.100 -0.183 0.000 0.651 204 G HN 0.267 nan 8.290 nan 0.000 0.511 205 K N 0.746 121.083 120.400 -0.105 0.000 2.015 205 K HA -0.181 4.139 4.320 -0.000 0.000 0.220 205 K C 2.673 179.226 176.600 -0.078 0.000 1.055 205 K CA 2.114 58.363 56.287 -0.063 0.000 0.951 205 K CB -0.429 32.047 32.500 -0.040 0.000 0.725 205 K HN 0.352 nan 8.250 nan 0.000 0.449 206 S N 0.607 116.249 115.700 -0.097 0.000 2.354 206 S HA -0.226 4.244 4.470 -0.000 0.000 0.219 206 S C 2.170 176.662 174.600 -0.180 0.000 1.035 206 S CA 1.391 59.533 58.200 -0.096 0.000 1.037 206 S CB -0.528 62.615 63.200 -0.094 0.000 0.956 206 S HN 0.507 nan 8.310 nan 0.000 0.428 207 A N 2.470 125.077 122.820 -0.355 0.000 1.915 207 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 207 A C 2.101 179.446 177.584 -0.399 0.000 1.198 207 A CA 1.794 53.399 52.037 -0.720 0.000 0.647 207 A CB -1.060 17.380 19.000 -0.934 0.000 0.825 207 A HN 0.438 nan 8.150 nan 0.000 0.456 208 L N -0.148 120.934 121.223 -0.236 0.000 1.963 208 L HA -0.209 4.131 4.340 -0.000 0.000 0.220 208 L C 2.520 179.348 176.870 -0.071 0.000 1.076 208 L CA 3.010 57.777 54.840 -0.122 0.000 0.772 208 L CB -1.572 40.444 42.059 -0.072 0.000 0.892 208 L HN 0.420 nan 8.230 nan 0.000 0.435 209 A N -0.968 121.827 122.820 -0.041 0.000 2.248 209 A HA 0.071 4.391 4.320 -0.000 0.000 0.210 209 A C 2.147 179.751 177.584 0.032 0.000 1.174 209 A CA 1.085 53.128 52.037 0.010 0.000 0.750 209 A CB -0.958 18.072 19.000 0.051 0.000 0.780 209 A HN 0.630 nan 8.150 nan 0.000 0.478 210 G N -1.249 107.568 108.800 0.029 0.000 2.490 210 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.211 210 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.211 210 G C 1.443 176.408 174.900 0.108 0.000 1.159 210 G CA 0.687 45.855 45.100 0.113 0.000 0.819 210 G HN 0.500 nan 8.290 nan 0.000 0.539 211 Q N -0.088 119.768 119.800 0.094 0.000 2.029 211 Q HA -0.131 4.209 4.340 -0.000 0.000 0.209 211 Q C 2.066 178.049 176.000 -0.030 0.000 0.999 211 Q CA 1.550 57.390 55.803 0.062 0.000 0.857 211 Q CB -0.373 28.387 28.738 0.037 0.000 0.926 211 Q HN 0.406 nan 8.270 nan 0.000 0.415 212 L N 0.382 121.539 121.223 -0.109 0.000 2.749 212 L HA -0.101 4.239 4.340 -0.000 0.000 0.245 212 L C 1.271 178.044 176.870 -0.161 0.000 1.156 212 L CA 0.401 55.107 54.840 -0.223 0.000 0.890 212 L CB -0.531 41.261 42.059 -0.445 0.000 1.036 212 L HN 0.234 nan 8.230 nan 0.000 0.441 213 I N -0.879 119.665 120.570 -0.043 0.000 2.479 213 I HA -0.106 4.064 4.170 -0.000 0.000 0.226 213 I C 2.076 178.188 176.117 -0.009 0.000 1.060 213 I CA 1.133 62.436 61.300 0.005 0.000 1.380 213 I CB -0.887 37.175 38.000 0.103 0.000 1.192 213 I HN 0.105 nan 8.210 nan 0.000 0.411 214 S N 0.114 115.818 115.700 0.007 0.000 2.593 214 S HA -0.042 4.428 4.470 -0.000 0.000 0.217 214 S C 1.571 176.151 174.600 -0.033 0.000 0.966 214 S CA -0.092 58.102 58.200 -0.009 0.000 0.914 214 S CB -0.441 62.762 63.200 0.005 0.000 0.776 214 S HN 0.336 nan 8.310 nan 0.000 0.523 215 R N 1.538 122.008 120.500 -0.050 0.000 2.417 215 R HA 0.090 4.430 4.340 -0.000 0.000 0.220 215 R C 0.466 176.717 176.300 -0.082 0.000 1.128 215 R CA 0.814 56.876 56.100 -0.063 0.000 1.048 215 R CB -0.523 29.729 30.300 -0.081 0.000 0.835 215 R HN 0.357 nan 8.270 nan 0.000 0.483 216 I N 0.194 120.714 120.570 -0.083 0.000 2.460 216 I HA 0.349 4.519 4.170 -0.000 0.000 0.298 216 I C -0.065 176.034 176.117 -0.030 0.000 0.989 216 I CA -0.668 60.583 61.300 -0.081 0.000 1.173 216 I CB 1.927 39.855 38.000 -0.120 0.000 1.338 216 I HN 0.247 nan 8.210 nan 0.000 0.456 217 A N 5.694 128.507 122.820 -0.012 0.000 2.327 217 A HA 0.511 4.831 4.320 -0.000 0.000 0.228 217 A C 0.577 178.173 177.584 0.020 0.000 1.275 217 A CA 0.219 52.258 52.037 0.004 0.000 0.875 217 A CB -0.616 18.387 19.000 0.005 0.000 0.925 217 A HN 0.834 nan 8.150 nan 0.000 0.493 218 G N -0.919 107.898 108.800 0.029 0.000 3.015 218 G HA2 0.542 4.502 3.960 -0.000 0.000 0.281 218 G HA3 0.542 4.502 3.960 -0.000 0.000 0.281 218 G C -0.920 174.010 174.900 0.051 0.000 1.386 218 G CA -0.947 44.183 45.100 0.050 0.000 0.959 218 G HN 0.273 nan 8.290 nan 0.000 0.522 219 R N -0.464 120.075 120.500 0.066 0.000 2.460 219 R HA 0.703 5.043 4.340 -0.000 0.000 0.303 219 R C 0.519 176.872 176.300 0.089 0.000 0.968 219 R CA 0.200 56.337 56.100 0.062 0.000 0.889 219 R CB 1.296 31.628 30.300 0.053 0.000 1.123 219 R HN 0.733 nan 8.270 nan 0.000 0.455 220 A N 4.580 127.443 122.820 0.072 0.000 3.176 220 A HA 0.708 5.028 4.320 -0.000 0.000 0.182 220 A C -0.066 177.548 177.584 0.050 0.000 2.036 220 A CA 0.041 52.133 52.037 0.091 0.000 0.938 220 A CB 0.119 19.159 19.000 0.068 0.000 1.909 220 A HN 0.810 nan 8.150 nan 0.000 0.760 221 I N -3.452 117.125 120.570 0.013 0.000 2.600 221 I HA 0.493 4.663 4.170 -0.000 0.000 0.309 221 I C -2.201 173.875 176.117 -0.068 0.000 1.966 221 I CA -0.633 60.629 61.300 -0.064 0.000 0.925 221 I CB 1.377 39.324 38.000 -0.089 0.000 1.481 221 I HN 1.120 nan 8.210 nan 0.000 0.652 222 V N 3.106 122.949 119.914 -0.119 0.000 2.966 222 V HA 0.742 4.862 4.120 -0.000 0.000 0.288 222 V C -1.483 174.584 176.094 -0.044 0.000 1.380 222 V CA 0.330 62.636 62.300 0.010 0.000 0.966 222 V CB 2.088 34.014 31.823 0.171 0.000 1.115 222 V HN 1.043 nan 8.190 nan 0.000 0.436 223 T N 4.090 118.686 114.554 0.069 0.000 2.864 223 T HA 1.011 5.361 4.350 -0.000 0.000 0.299 223 T C -0.776 174.160 174.700 0.394 0.000 1.166 223 T CA 0.114 62.210 62.100 -0.007 0.000 1.007 223 T CB 1.751 70.523 68.868 -0.160 0.000 1.219 223 T HN 2.005 nan 8.240 nan 0.000 0.506 224 A N 2.056 125.155 122.820 0.465 0.000 2.597 224 A HA 0.787 5.107 4.320 -0.000 0.000 0.292 224 A C -3.116 174.641 177.584 0.289 0.000 1.057 224 A CA -1.199 51.048 52.037 0.349 0.000 0.674 224 A CB 0.476 19.669 19.000 0.322 0.000 1.278 224 A HN 0.568 nan 8.150 nan 0.000 0.416 225 P HA 0.312 nan 4.420 nan 0.000 0.286 225 P C 0.207 177.598 177.300 0.152 0.000 1.278 225 P CA 0.472 63.662 63.100 0.150 0.000 0.785 225 P CB 0.279 32.051 31.700 0.120 0.000 1.269 226 A N 0.264 123.156 122.820 0.120 0.000 2.524 226 A HA -0.049 4.271 4.320 -0.000 0.000 0.271 226 A C 0.288 177.929 177.584 0.096 0.000 1.097 226 A CA 0.231 52.333 52.037 0.107 0.000 0.791 226 A CB -1.155 17.899 19.000 0.090 0.000 1.028 226 A HN 0.299 nan 8.150 nan 0.000 0.518 227 K N 0.797 121.252 120.400 0.091 0.000 2.585 227 K HA 0.024 4.344 4.320 -0.000 0.000 0.271 227 K C 0.521 177.141 176.600 0.034 0.000 0.994 227 K CA 1.117 57.430 56.287 0.043 0.000 1.085 227 K CB -0.047 32.444 32.500 -0.016 0.000 0.802 227 K HN 0.826 nan 8.250 nan 0.000 0.476 228 A N 1.806 124.635 122.820 0.015 0.000 2.347 228 A HA 0.399 4.719 4.320 -0.000 0.000 0.301 228 A C -0.453 177.123 177.584 -0.014 0.000 1.163 228 A CA -0.810 51.236 52.037 0.014 0.000 0.860 228 A CB 0.981 19.990 19.000 0.015 0.000 1.367 228 A HN 0.572 nan 8.150 nan 0.000 0.461 229 S N 1.261 116.956 115.700 -0.009 0.000 2.560 229 S HA 0.151 4.621 4.470 -0.000 0.000 0.323 229 S C 1.258 175.817 174.600 -0.067 0.000 1.191 229 S CA 0.473 58.654 58.200 -0.031 0.000 1.231 229 S CB -0.386 62.807 63.200 -0.011 0.000 1.224 229 S HN 0.965 nan 8.310 nan 0.000 0.545 230 T N -0.899 113.586 114.554 -0.116 0.000 3.160 230 T HA -0.065 4.285 4.350 -0.000 0.000 0.257 230 T C 0.903 175.454 174.700 -0.248 0.000 1.147 230 T CA 0.280 62.287 62.100 -0.155 0.000 1.064 230 T CB -0.174 68.552 68.868 -0.236 0.000 0.949 230 T HN 0.464 nan 8.240 nan 0.000 0.526 231 D N 2.036 122.332 120.400 -0.175 0.000 2.097 231 D HA -0.094 4.546 4.640 -0.000 0.000 0.195 231 D C 2.229 178.449 176.300 -0.134 0.000 0.989 231 D CA 1.025 54.927 54.000 -0.163 0.000 0.827 231 D CB -0.612 40.139 40.800 -0.082 0.000 0.966 231 D HN 0.429 nan 8.370 nan 0.000 0.456 232 V N 2.500 122.368 119.914 -0.077 0.000 2.220 232 V HA -0.241 3.879 4.120 -0.000 0.000 0.242 232 V C 2.605 178.701 176.094 0.003 0.000 1.041 232 V CA 1.136 63.428 62.300 -0.012 0.000 0.990 232 V CB -1.018 30.779 31.823 -0.043 0.000 0.634 232 V HN 0.146 nan 8.190 nan 0.000 0.452 233 L N 0.715 121.912 121.223 -0.043 0.000 2.056 233 L HA -0.381 3.959 4.340 -0.000 0.000 0.237 233 L C 2.523 179.374 176.870 -0.031 0.000 1.106 233 L CA 3.383 58.216 54.840 -0.012 0.000 0.829 233 L CB -1.602 40.466 42.059 0.016 0.000 0.924 233 L HN 0.485 nan 8.230 nan 0.000 0.447 234 A N -0.836 121.784 122.820 -0.333 0.000 1.883 234 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 234 A C 2.115 179.564 177.584 -0.225 0.000 1.186 234 A CA 1.913 53.592 52.037 -0.595 0.000 0.624 234 A CB -0.802 17.164 19.000 -1.724 0.000 0.822 234 A HN 0.774 nan 8.150 nan 0.000 0.444 235 Q N -1.931 117.766 119.800 -0.173 0.000 2.500 235 Q HA -0.075 4.265 4.340 -0.000 0.000 0.213 235 Q C 0.229 176.208 176.000 -0.035 0.000 0.974 235 Q CA 0.891 56.644 55.803 -0.084 0.000 0.918 235 Q CB -0.121 28.581 28.738 -0.060 0.000 0.980 235 Q HN 0.606 nan 8.270 nan 0.000 0.505 236 F N -0.613 119.282 119.950 -0.093 0.000 2.772 236 F HA 0.420 4.947 4.527 -0.000 0.000 0.302 236 F C 0.754 176.531 175.800 -0.037 0.000 1.136 236 F CA 0.251 58.216 58.000 -0.058 0.000 1.322 236 F CB 0.999 39.966 39.000 -0.056 0.000 0.967 236 F HN 0.154 nan 8.300 nan 0.000 0.513 237 A N -1.472 121.387 122.820 0.066 0.000 2.680 237 A HA 0.549 4.869 4.320 -0.000 0.000 0.183 237 A C 1.334 178.945 177.584 0.044 0.000 1.506 237 A CA 0.475 52.557 52.037 0.075 0.000 1.119 237 A CB -0.593 18.493 19.000 0.144 0.000 1.424 237 A HN 0.662 nan 8.150 nan 0.000 0.540 238 G N 1.512 110.314 108.800 0.003 0.000 2.559 238 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.282 238 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.282 238 G C 0.615 175.551 174.900 0.060 0.000 1.177 238 G CA 1.303 46.404 45.100 0.003 0.000 0.960 238 G HN 1.224 nan 8.290 nan 0.000 0.540 239 E N 0.537 120.786 120.200 0.081 0.000 2.490 239 E HA 0.279 4.629 4.350 -0.000 0.000 0.209 239 E C 1.793 178.483 176.600 0.150 0.000 0.971 239 E CA 0.436 56.911 56.400 0.126 0.000 0.988 239 E CB 0.109 29.858 29.700 0.080 0.000 1.029 239 E HN 0.406 nan 8.360 nan 0.000 0.496 240 K N 1.165 121.638 120.400 0.122 0.000 2.360 240 K HA -0.096 4.224 4.320 -0.000 0.000 0.201 240 K C 0.492 177.172 176.600 0.133 0.000 1.046 240 K CA 0.370 56.716 56.287 0.100 0.000 0.940 240 K CB -0.902 31.641 32.500 0.072 0.000 0.748 240 K HN 0.268 nan 8.250 nan 0.000 0.465 241 F N 2.254 122.233 119.950 0.048 0.000 2.459 241 F HA 0.238 4.765 4.527 -0.000 0.000 0.346 241 F C 0.543 176.396 175.800 0.087 0.000 1.128 241 F CA -0.189 57.854 58.000 0.072 0.000 1.268 241 F CB 0.661 39.703 39.000 0.070 0.000 1.161 241 F HN -0.143 nan 8.300 nan 0.000 0.583 242 R N 5.176 125.167 120.500 -0.849 0.000 2.716 242 R HA 0.431 4.771 4.340 -0.000 0.000 0.271 242 R C -2.437 173.447 176.300 -0.694 0.000 1.028 242 R CA -0.842 54.948 56.100 -0.517 0.000 0.883 242 R CB 1.728 31.919 30.300 -0.181 0.000 1.250 242 R HN 0.789 nan 8.270 nan 0.000 0.465 243 F N 3.067 122.748 119.950 -0.450 0.000 2.689 243 F HA 0.446 4.973 4.527 -0.000 0.000 0.332 243 F C -1.666 174.080 175.800 -0.090 0.000 1.209 243 F CA -0.865 56.957 58.000 -0.296 0.000 1.028 243 F CB 0.970 39.851 39.000 -0.199 0.000 1.291 243 F HN 0.358 nan 8.300 nan 0.000 0.500 244 I N 6.268 126.416 120.570 -0.703 0.000 2.382 244 I HA 0.735 4.905 4.170 -0.000 0.000 0.286 244 I C -0.081 175.529 176.117 -0.844 0.000 1.002 244 I CA -0.680 60.308 61.300 -0.520 0.000 1.135 244 I CB 0.911 38.773 38.000 -0.230 0.000 1.288 244 I HN 0.714 nan 8.210 nan 0.000 0.448 245 A N 10.195 132.611 122.820 -0.674 0.000 2.536 245 A HA 0.290 4.610 4.320 -0.000 0.000 0.234 245 A C -1.467 175.997 177.584 -0.200 0.000 1.076 245 A CA -0.198 51.621 52.037 -0.363 0.000 0.769 245 A CB -0.836 18.218 19.000 0.089 0.000 1.020 245 A HN 0.730 nan 8.150 nan 0.000 0.508 246 P HA -0.278 nan 4.420 nan 0.000 0.216 246 P C 0.867 178.161 177.300 -0.010 0.000 1.167 246 P CA 2.050 65.134 63.100 -0.026 0.000 0.933 246 P CB -0.063 31.660 31.700 0.038 0.000 0.793 247 D N -0.455 119.951 120.400 0.009 0.000 2.097 247 D HA -0.099 4.541 4.640 -0.000 0.000 0.195 247 D C 2.008 178.308 176.300 0.000 0.000 0.989 247 D CA 1.672 55.679 54.000 0.012 0.000 0.827 247 D CB -0.291 40.523 40.800 0.022 0.000 0.966 247 D HN 0.124 nan 8.370 nan 0.000 0.456 248 A N 1.080 123.896 122.820 -0.008 0.000 2.168 248 A HA -0.055 4.265 4.320 -0.000 0.000 0.215 248 A C 2.037 179.601 177.584 -0.033 0.000 1.152 248 A CA 0.309 52.339 52.037 -0.013 0.000 0.716 248 A CB -0.268 18.729 19.000 -0.006 0.000 0.794 248 A HN 0.254 nan 8.150 nan 0.000 0.465 249 L N -0.096 121.096 121.223 -0.053 0.000 2.179 249 L HA 0.035 4.375 4.340 -0.000 0.000 0.208 249 L C 1.171 178.040 176.870 -0.000 0.000 1.096 249 L CA 1.519 56.327 54.840 -0.055 0.000 0.779 249 L CB -0.742 41.257 42.059 -0.101 0.000 0.922 249 L HN 0.455 nan 8.230 nan 0.000 0.443 250 L N -0.768 120.459 121.223 0.007 0.000 2.955 250 L HA 0.419 4.759 4.340 -0.000 0.000 0.238 250 L C 1.046 177.918 176.870 0.002 0.000 1.359 250 L CA 0.308 55.159 54.840 0.017 0.000 1.214 250 L CB -1.394 40.681 42.059 0.026 0.000 1.600 250 L HN 0.114 nan 8.230 nan 0.000 0.442 251 A N 0.158 122.975 122.820 -0.004 0.000 2.462 251 A HA 0.427 4.747 4.320 -0.000 0.000 0.261 251 A C 1.176 178.752 177.584 -0.014 0.000 1.323 251 A CA 0.255 52.287 52.037 -0.009 0.000 0.913 251 A CB -0.824 18.170 19.000 -0.009 0.000 1.028 251 A HN 1.067 nan 8.150 nan 0.000 0.511 252 S N -0.422 115.268 115.700 -0.018 0.000 3.667 252 S HA -0.152 4.318 4.470 -0.000 0.000 0.405 252 S C -0.652 173.922 174.600 -0.042 0.000 0.913 252 S CA 0.802 58.982 58.200 -0.033 0.000 1.288 252 S CB -1.824 61.357 63.200 -0.032 0.000 0.905 252 S HN 0.538 nan 8.310 nan 0.000 0.550 253 D N 1.480 121.853 120.400 -0.045 0.000 2.517 253 D HA 0.285 4.925 4.640 -0.000 0.000 0.263 253 D C -0.492 175.767 176.300 -0.068 0.000 1.233 253 D CA -0.387 53.584 54.000 -0.048 0.000 0.849 253 D CB 0.986 41.772 40.800 -0.024 0.000 1.261 253 D HN 0.739 nan 8.370 nan 0.000 0.516 254 E N 1.468 121.580 120.200 -0.146 0.000 2.324 254 E HA 0.163 4.513 4.350 -0.000 0.000 0.271 254 E C 0.950 177.455 176.600 -0.157 0.000 1.028 254 E CA -0.022 56.210 56.400 -0.280 0.000 0.890 254 E CB 0.793 30.248 29.700 -0.407 0.000 1.004 254 E HN 0.172 nan 8.360 nan 0.000 0.431 255 Q N 0.783 120.540 119.800 -0.072 0.000 1.798 255 Q HA 0.300 4.640 4.340 -0.000 0.000 0.173 255 Q C -0.852 175.207 176.000 0.099 0.000 0.780 255 Q CA -0.124 55.685 55.803 0.010 0.000 0.866 255 Q CB -0.145 28.604 28.738 0.018 0.000 1.234 255 Q HN 0.378 nan 8.270 nan 0.000 0.390 256 A N 0.608 123.570 122.820 0.236 0.000 2.423 256 A HA 0.694 5.014 4.320 -0.000 0.000 0.304 256 A C -0.500 177.276 177.584 0.319 0.000 1.104 256 A CA -0.157 52.045 52.037 0.275 0.000 0.757 256 A CB 1.097 20.254 19.000 0.262 0.000 1.313 256 A HN 0.113 nan 8.150 nan 0.000 0.423 257 D N -0.451 120.083 120.400 0.224 0.000 2.367 257 D HA 0.090 4.730 4.640 -0.000 0.000 0.207 257 D C -0.253 176.189 176.300 0.237 0.000 1.034 257 D CA 0.327 54.450 54.000 0.205 0.000 0.861 257 D CB 0.495 41.399 40.800 0.173 0.000 0.943 257 D HN 0.399 nan 8.370 nan 0.000 0.515 258 W N 1.978 123.291 121.300 0.023 0.000 2.957 258 W HA 0.371 5.031 4.660 -0.000 0.000 0.327 258 W C -1.921 174.523 176.519 -0.126 0.000 1.039 258 W CA -1.159 56.162 57.345 -0.040 0.000 1.257 258 W CB 0.619 30.073 29.460 -0.012 0.000 1.238 258 W HN -0.180 nan 8.180 nan 0.000 0.406 259 L N 6.989 128.133 121.223 -0.131 0.000 2.375 259 L HA 0.665 5.005 4.340 -0.000 0.000 0.271 259 L C -0.444 176.438 176.870 0.019 0.000 1.107 259 L CA -0.437 54.262 54.840 -0.236 0.000 0.806 259 L CB 1.507 43.145 42.059 -0.701 0.000 1.146 259 L HN 0.203 nan 8.230 nan 0.000 0.447 260 V N 3.587 123.526 119.914 0.041 0.000 2.577 260 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 260 V C -1.037 175.108 176.094 0.085 0.000 1.042 260 V CA -0.657 61.717 62.300 0.123 0.000 0.872 260 V CB 1.601 33.533 31.823 0.182 0.000 0.998 260 V HN 0.547 nan 8.190 nan 0.000 0.423 261 V N 3.415 123.383 119.914 0.090 0.000 2.407 261 V HA 0.617 4.737 4.120 -0.000 0.000 0.291 261 V C -0.640 175.536 176.094 0.137 0.000 1.018 261 V CA -0.062 62.306 62.300 0.112 0.000 0.842 261 V CB 1.457 33.330 31.823 0.084 0.000 0.996 261 V HN 1.076 nan 8.190 nan 0.000 0.426 262 D N 4.738 125.235 120.400 0.162 0.000 2.339 262 D HA 0.367 5.007 4.640 -0.000 0.000 0.256 262 D C 0.375 176.734 176.300 0.099 0.000 1.214 262 D CA 0.843 54.918 54.000 0.125 0.000 0.877 262 D CB 0.695 41.571 40.800 0.128 0.000 1.111 262 D HN 0.864 nan 8.370 nan 0.000 0.478 263 E N 2.200 122.437 120.200 0.062 0.000 2.246 263 E HA -0.260 4.090 4.350 -0.000 0.000 0.211 263 E C 0.378 177.010 176.600 0.053 0.000 1.278 263 E CA 0.611 57.027 56.400 0.025 0.000 0.694 263 E CB -1.260 28.446 29.700 0.009 0.000 1.166 263 E HN 0.488 nan 8.360 nan 0.000 0.370 264 A N 0.914 123.787 122.820 0.089 0.000 2.015 264 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 264 A C 2.372 180.040 177.584 0.140 0.000 1.163 264 A CA 1.626 53.767 52.037 0.173 0.000 0.646 264 A CB -0.417 18.767 19.000 0.306 0.000 0.806 264 A HN 0.881 nan 8.150 nan 0.000 0.448 265 A N -0.180 122.557 122.820 -0.138 0.000 2.032 265 A HA 0.092 4.412 4.320 -0.000 0.000 0.221 265 A C 2.159 179.777 177.584 0.057 0.000 1.165 265 A CA 1.865 53.717 52.037 -0.309 0.000 0.645 265 A CB -0.644 18.089 19.000 -0.445 0.000 0.807 265 A HN 1.113 nan 8.150 nan 0.000 0.453 266 A N -1.381 121.487 122.820 0.080 0.000 2.251 266 A HA 0.494 4.814 4.320 -0.000 0.000 0.209 266 A C 0.692 178.358 177.584 0.137 0.000 1.187 266 A CA -0.064 52.065 52.037 0.152 0.000 0.823 266 A CB -0.202 18.872 19.000 0.122 0.000 0.846 266 A HN 0.431 nan 8.150 nan 0.000 0.486 267 I N 0.361 121.026 120.570 0.159 0.000 2.525 267 I HA 0.308 4.478 4.170 -0.000 0.000 0.301 267 I C -2.348 173.865 176.117 0.161 0.000 0.992 267 I CA -2.686 58.703 61.300 0.149 0.000 1.162 267 I CB 1.905 40.006 38.000 0.169 0.000 1.332 267 I HN -0.080 nan 8.210 nan 0.000 0.458 268 P HA -0.049 nan 4.420 nan 0.000 0.262 268 P C 0.076 177.431 177.300 0.091 0.000 1.182 268 P CA 0.275 63.415 63.100 0.067 0.000 0.761 268 P CB 0.786 32.501 31.700 0.024 0.000 0.795 269 A N 6.692 129.534 122.820 0.037 0.000 2.019 269 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 269 A C -0.519 176.973 177.584 -0.154 0.000 1.164 269 A CA 1.614 53.608 52.037 -0.072 0.000 0.644 269 A CB -2.047 16.787 19.000 -0.276 0.000 0.805 269 A HN 0.438 nan 8.150 nan 0.000 0.449 270 P HA -0.163 nan 4.420 nan 0.000 0.211 270 P C 1.812 179.138 177.300 0.043 0.000 1.179 270 P CA 0.720 63.785 63.100 -0.058 0.000 0.910 270 P CB -0.125 31.552 31.700 -0.038 0.000 0.785 271 L N -0.515 120.741 121.223 0.055 0.000 2.012 271 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 271 L C 2.270 179.223 176.870 0.138 0.000 1.073 271 L CA 1.912 56.801 54.840 0.083 0.000 0.748 271 L CB -1.641 40.457 42.059 0.065 0.000 0.891 271 L HN 0.009 nan 8.230 nan 0.000 0.431 272 L N -0.565 120.772 121.223 0.191 0.000 2.012 272 L HA -0.299 4.041 4.340 -0.000 0.000 0.210 272 L C 2.596 179.657 176.870 0.319 0.000 1.073 272 L CA 1.873 56.874 54.840 0.268 0.000 0.748 272 L CB -0.921 41.370 42.059 0.387 0.000 0.891 272 L HN 0.465 nan 8.230 nan 0.000 0.431 273 H N -0.743 118.420 119.070 0.155 0.000 2.352 273 H HA -0.202 4.354 4.556 -0.000 0.000 0.299 273 H C 2.250 177.643 175.328 0.108 0.000 1.097 273 H CA 1.542 57.695 56.048 0.175 0.000 1.311 273 H CB 0.259 30.087 29.762 0.110 0.000 1.377 273 H HN 0.520 nan 8.280 nan 0.000 0.504 274 Q N 0.564 120.485 119.800 0.202 0.000 2.030 274 Q HA -0.166 4.174 4.340 -0.000 0.000 0.204 274 Q C 2.606 178.674 176.000 0.114 0.000 0.986 274 Q CA 1.074 56.950 55.803 0.121 0.000 0.843 274 Q CB -0.118 28.673 28.738 0.088 0.000 0.904 274 Q HN 0.421 nan 8.270 nan 0.000 0.420 275 L N 0.482 121.785 121.223 0.132 0.000 2.013 275 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 275 L C 1.999 178.968 176.870 0.165 0.000 1.073 275 L CA 1.250 56.195 54.840 0.175 0.000 0.753 275 L CB -0.197 41.935 42.059 0.122 0.000 0.890 275 L HN 0.152 nan 8.230 nan 0.000 0.432 276 V N -1.007 118.923 119.914 0.026 0.000 3.383 276 V HA -0.131 3.989 4.120 -0.000 0.000 0.272 276 V C 2.106 178.161 176.094 -0.064 0.000 1.181 276 V CA 1.183 63.417 62.300 -0.111 0.000 1.171 276 V CB -0.002 31.616 31.823 -0.342 0.000 0.800 276 V HN 0.374 nan 8.190 nan 0.000 0.515 277 S N -0.390 115.330 115.700 0.033 0.000 2.506 277 S HA 0.044 4.514 4.470 -0.000 0.000 0.230 277 S C 2.041 176.662 174.600 0.035 0.000 1.066 277 S CA -0.000 58.206 58.200 0.011 0.000 0.940 277 S CB -0.014 63.193 63.200 0.012 0.000 0.818 277 S HN 0.394 nan 8.310 nan 0.000 0.518 278 R N 0.958 121.495 120.500 0.060 0.000 2.133 278 R HA -0.012 4.328 4.340 -0.000 0.000 0.247 278 R C 0.248 176.398 176.300 -0.249 0.000 1.151 278 R CA 1.444 57.455 56.100 -0.148 0.000 0.971 278 R CB -0.393 29.706 30.300 -0.336 0.000 0.866 278 R HN 0.387 nan 8.270 nan 0.000 0.447 279 F N -1.296 118.601 119.950 -0.089 0.000 2.450 279 F HA 0.339 4.866 4.527 -0.000 0.000 0.361 279 F C -1.068 174.652 175.800 -0.134 0.000 1.092 279 F CA -2.177 55.765 58.000 -0.096 0.000 1.105 279 F CB 0.337 39.278 39.000 -0.098 0.000 1.458 279 F HN -0.173 nan 8.300 nan 0.000 0.496 280 P HA 0.172 nan 4.420 nan 0.000 0.233 280 P C -0.707 176.442 177.300 -0.252 0.000 1.157 280 P CA 0.599 63.656 63.100 -0.071 0.000 0.876 280 P CB 1.216 32.895 31.700 -0.036 0.000 0.947 281 R N 0.221 120.473 120.500 -0.413 0.000 2.512 281 R HA 0.480 4.820 4.340 -0.000 0.000 0.291 281 R C -0.692 174.863 176.300 -1.242 0.000 1.097 281 R CA -0.300 55.243 56.100 -0.928 0.000 0.940 281 R CB 1.554 31.026 30.300 -1.380 0.000 1.198 281 R HN -0.062 nan 8.270 nan 0.000 0.429 282 T N 0.452 114.497 114.554 -0.849 0.000 2.918 282 T HA 0.463 4.813 4.350 -0.000 0.000 0.286 282 T C -0.248 174.365 174.700 -0.145 0.000 1.026 282 T CA -0.949 60.863 62.100 -0.481 0.000 1.031 282 T CB 1.875 70.544 68.868 -0.332 0.000 1.046 282 T HN 0.263 nan 8.240 nan 0.000 0.479 283 L N 2.965 124.306 121.223 0.196 0.000 2.298 283 L HA 0.450 4.790 4.340 -0.000 0.000 0.284 283 L C -1.289 175.676 176.870 0.158 0.000 1.013 283 L CA -1.067 53.958 54.840 0.309 0.000 0.824 283 L CB 1.333 43.638 42.059 0.410 0.000 1.221 283 L HN 0.506 nan 8.230 nan 0.000 0.418 284 L N 4.706 126.006 121.223 0.128 0.000 2.280 284 L HA 0.393 4.733 4.340 -0.000 0.000 0.287 284 L C 0.257 177.210 176.870 0.137 0.000 1.023 284 L CA 0.217 55.133 54.840 0.127 0.000 0.819 284 L CB 1.479 43.621 42.059 0.139 0.000 1.212 284 L HN 0.604 nan 8.230 nan 0.000 0.420 285 T N 2.625 117.249 114.554 0.116 0.000 2.929 285 T HA 0.677 5.027 4.350 -0.000 0.000 0.284 285 T C -0.435 174.291 174.700 0.043 0.000 1.014 285 T CA -0.162 61.987 62.100 0.081 0.000 1.051 285 T CB 1.108 70.016 68.868 0.068 0.000 1.028 285 T HN 0.663 nan 8.240 nan 0.000 0.485 286 T N 2.793 117.353 114.554 0.009 0.000 3.435 286 T HA 0.400 4.750 4.350 -0.000 0.000 0.344 286 T C -0.919 173.744 174.700 -0.061 0.000 1.211 286 T CA -0.483 61.591 62.100 -0.042 0.000 1.104 286 T CB 1.255 70.076 68.868 -0.078 0.000 1.196 286 T HN 0.764 nan 8.240 nan 0.000 0.471 287 T N 3.584 118.079 114.554 -0.098 0.000 2.856 287 T HA 0.656 5.006 4.350 -0.000 0.000 0.292 287 T C 0.196 174.802 174.700 -0.155 0.000 0.980 287 T CA -0.457 61.563 62.100 -0.133 0.000 1.091 287 T CB 0.751 69.511 68.868 -0.181 0.000 0.936 287 T HN 0.695 nan 8.240 nan 0.000 0.503 288 V N 1.082 120.906 119.914 -0.151 0.000 3.130 288 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 288 V C -0.547 175.432 176.094 -0.192 0.000 1.158 288 V CA -1.395 60.814 62.300 -0.152 0.000 1.029 288 V CB 1.612 33.384 31.823 -0.084 0.000 1.057 288 V HN 0.859 nan 8.190 nan 0.000 0.436 289 Q N 0.367 120.050 119.800 -0.196 0.000 2.460 289 Q HA -0.058 4.282 4.340 -0.000 0.000 0.311 289 Q C 0.251 175.932 176.000 -0.533 0.000 1.396 289 Q CA 1.053 56.736 55.803 -0.199 0.000 0.838 289 Q CB -1.567 27.130 28.738 -0.068 0.000 1.140 289 Q HN 1.711 nan 8.270 nan 0.000 0.415 290 G N -0.399 107.844 108.800 -0.928 0.000 2.488 290 G HA2 0.444 4.404 3.960 -0.000 0.000 0.301 290 G HA3 0.444 4.404 3.960 -0.000 0.000 0.301 290 G C -1.346 172.879 174.900 -1.125 0.000 1.339 290 G CA -0.559 43.558 45.100 -1.639 0.000 0.803 290 G HN 0.325 nan 8.290 nan 0.000 0.482 291 Y N -0.622 119.319 120.300 -0.599 0.000 2.411 291 Y HA 0.569 5.119 4.550 -0.000 0.000 0.333 291 Y C 0.735 176.573 175.900 -0.104 0.000 1.186 291 Y CA -0.129 57.925 58.100 -0.078 0.000 1.381 291 Y CB 0.851 39.393 38.460 0.137 0.000 1.273 291 Y HN 0.636 nan 8.280 nan 0.000 0.546 292 E N 0.228 120.435 120.200 0.012 0.000 2.476 292 E HA -0.161 4.189 4.350 -0.000 0.000 0.251 292 E C 0.125 176.589 176.600 -0.227 0.000 1.130 292 E CA 1.058 57.412 56.400 -0.076 0.000 0.736 292 E CB -1.445 28.282 29.700 0.045 0.000 1.298 292 E HN 1.092 nan 8.360 nan 0.000 0.400 293 G N -1.346 107.297 108.800 -0.262 0.000 2.642 293 G HA2 0.610 4.570 3.960 -0.000 0.000 0.291 293 G HA3 0.610 4.570 3.960 -0.000 0.000 0.291 293 G C -0.558 174.192 174.900 -0.250 0.000 1.345 293 G CA 0.096 45.034 45.100 -0.270 0.000 1.043 293 G HN 0.079 nan 8.290 nan 0.000 0.528 294 T N -1.113 113.308 114.554 -0.221 0.000 2.823 294 T HA 0.567 4.917 4.350 -0.000 0.000 0.279 294 T C 0.663 175.277 174.700 -0.143 0.000 0.998 294 T CA 0.158 62.120 62.100 -0.230 0.000 0.994 294 T CB 0.666 69.413 68.868 -0.201 0.000 0.960 294 T HN 0.818 nan 8.240 nan 0.000 0.448 295 G N 3.218 111.942 108.800 -0.126 0.000 2.305 295 G HA2 0.130 4.090 3.960 -0.000 0.000 0.243 295 G HA3 0.130 4.090 3.960 -0.000 0.000 0.243 295 G C 0.840 175.762 174.900 0.038 0.000 1.288 295 G CA -0.351 44.724 45.100 -0.040 0.000 0.901 295 G HN 0.876 nan 8.290 nan 0.000 0.516 296 R N 1.840 122.333 120.500 -0.011 0.000 2.285 296 R HA -0.053 4.287 4.340 -0.000 0.000 0.213 296 R C 2.513 178.918 176.300 0.174 0.000 1.068 296 R CA 0.818 56.960 56.100 0.071 0.000 1.004 296 R CB 0.141 30.445 30.300 0.006 0.000 0.873 296 R HN 0.622 nan 8.270 nan 0.000 0.467 297 G N 0.046 108.923 108.800 0.129 0.000 2.411 297 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.213 297 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.213 297 G C 1.100 176.083 174.900 0.139 0.000 1.166 297 G CA -0.109 45.068 45.100 0.128 0.000 0.802 297 G HN 0.273 nan 8.290 nan 0.000 0.533 298 F N 0.745 120.713 119.950 0.030 0.000 2.293 298 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 298 F C 2.052 177.896 175.800 0.074 0.000 1.086 298 F CA 0.480 58.507 58.000 0.044 0.000 1.375 298 F CB 0.155 39.176 39.000 0.035 0.000 1.045 298 F HN 0.023 nan 8.300 nan 0.000 0.516 299 L N 0.164 121.541 121.223 0.257 0.000 2.291 299 L HA -0.093 4.247 4.340 -0.000 0.000 0.214 299 L C 1.913 178.893 176.870 0.183 0.000 1.120 299 L CA 1.086 56.041 54.840 0.192 0.000 0.799 299 L CB -0.702 41.432 42.059 0.125 0.000 0.925 299 L HN 0.244 nan 8.230 nan 0.000 0.446 300 L N -0.788 120.499 121.223 0.108 0.000 2.209 300 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 300 L C 2.191 179.055 176.870 -0.009 0.000 1.094 300 L CA 0.862 55.738 54.840 0.060 0.000 0.790 300 L CB -0.449 41.635 42.059 0.041 0.000 0.932 300 L HN 0.249 nan 8.230 nan 0.000 0.447 301 K N -0.845 119.510 120.400 -0.076 0.000 2.366 301 K HA -0.122 4.198 4.320 -0.000 0.000 0.198 301 K C 1.889 178.365 176.600 -0.207 0.000 1.044 301 K CA 0.700 56.885 56.287 -0.170 0.000 0.973 301 K CB 0.107 32.456 32.500 -0.251 0.000 0.767 301 K HN 0.104 nan 8.250 nan 0.000 0.475 302 F N 0.342 120.097 119.950 -0.326 0.000 2.179 302 F HA -0.138 4.389 4.527 -0.000 0.000 0.292 302 F C 1.927 177.608 175.800 -0.199 0.000 1.089 302 F CA 0.925 58.755 58.000 -0.283 0.000 1.295 302 F CB -0.387 38.518 39.000 -0.159 0.000 1.041 302 F HN -0.100 nan 8.300 nan 0.000 0.487 303 C N 1.318 120.639 119.300 0.036 0.000 2.429 303 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 303 C C 3.157 178.037 174.990 -0.183 0.000 1.262 303 C CA 1.112 60.108 59.018 -0.037 0.000 1.733 303 C CB -1.849 25.962 27.740 0.118 0.000 2.010 303 C HN 0.665 nan 8.230 nan 0.000 0.483 304 A N 0.378 123.103 122.820 -0.160 0.000 2.042 304 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 304 A C 2.007 179.452 177.584 -0.233 0.000 1.167 304 A CA 1.893 53.833 52.037 -0.162 0.000 0.649 304 A CB -0.499 18.416 19.000 -0.142 0.000 0.809 304 A HN 0.564 nan 8.150 nan 0.000 0.457 305 R N -1.658 118.591 120.500 -0.419 0.000 2.323 305 R HA 0.201 4.541 4.340 -0.000 0.000 0.198 305 R C -0.864 175.078 176.300 -0.597 0.000 0.988 305 R CA 0.274 56.080 56.100 -0.490 0.000 1.041 305 R CB -0.490 29.450 30.300 -0.601 0.000 0.926 305 R HN 0.527 nan 8.270 nan 0.000 0.476 306 F N 1.567 121.395 119.950 -0.204 0.000 2.532 306 F HA 0.352 4.879 4.527 -0.000 0.000 0.365 306 F C -1.913 173.796 175.800 -0.151 0.000 1.112 306 F CA -2.633 55.233 58.000 -0.224 0.000 1.082 306 F CB 1.778 40.603 39.000 -0.291 0.000 1.319 306 F HN -0.109 nan 8.300 nan 0.000 0.457 307 P HA 0.059 nan 4.420 nan 0.000 0.271 307 P C -0.720 176.623 177.300 0.072 0.000 1.220 307 P CA 0.344 63.439 63.100 -0.008 0.000 0.768 307 P CB 0.441 32.154 31.700 0.022 0.000 0.848 308 H N -1.355 117.730 119.070 0.025 0.000 2.882 308 H HA -0.139 4.417 4.556 -0.000 0.000 0.314 308 H C 0.021 175.356 175.328 0.013 0.000 1.270 308 H CA 0.034 56.120 56.048 0.063 0.000 1.165 308 H CB -1.900 27.898 29.762 0.060 0.000 1.436 308 H HN 0.383 nan 8.280 nan 0.000 0.431 309 L N 1.849 123.116 121.223 0.073 0.000 2.305 309 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 309 L C 0.087 177.005 176.870 0.080 0.000 1.085 309 L CA -0.797 54.012 54.840 -0.051 0.000 0.813 309 L CB 0.412 42.466 42.059 -0.009 0.000 1.157 309 L HN 0.271 nan 8.230 nan 0.000 0.436 310 H N 5.180 124.143 119.070 -0.178 0.000 2.787 310 H HA 0.289 4.845 4.556 -0.000 0.000 0.275 310 H C -0.559 174.159 175.328 -1.016 0.000 1.183 310 H CA -0.595 55.234 56.048 -0.363 0.000 1.290 310 H CB -0.098 29.680 29.762 0.028 0.000 1.438 310 H HN 0.460 nan 8.280 nan 0.000 0.487 311 R N 2.417 122.491 120.500 -0.710 0.000 2.265 311 R HA 0.585 4.925 4.340 -0.000 0.000 0.319 311 R C -1.026 174.821 176.300 -0.755 0.000 1.006 311 R CA -0.508 55.196 56.100 -0.660 0.000 0.880 311 R CB 0.763 30.937 30.300 -0.210 0.000 1.077 311 R HN 0.094 nan 8.270 nan 0.000 0.454 312 F N 0.128 120.135 119.950 0.095 0.000 2.620 312 F HA 0.501 5.028 4.527 -0.000 0.000 0.320 312 F C -0.166 175.669 175.800 0.058 0.000 1.069 312 F CA -1.325 56.718 58.000 0.071 0.000 0.953 312 F CB 2.032 41.074 39.000 0.071 0.000 1.322 312 F HN 0.422 nan 8.300 nan 0.000 0.479 313 E N 1.361 121.701 120.200 0.232 0.000 2.292 313 E HA 0.577 4.927 4.350 -0.000 0.000 0.272 313 E C -1.532 175.127 176.600 0.098 0.000 0.881 313 E CA -0.693 55.788 56.400 0.135 0.000 0.754 313 E CB 2.878 32.639 29.700 0.101 0.000 1.201 313 E HN 0.416 nan 8.360 nan 0.000 0.425 314 L N 2.597 123.857 121.223 0.062 0.000 2.322 314 L HA 0.306 4.646 4.340 -0.000 0.000 0.279 314 L C 0.371 177.248 176.870 0.012 0.000 1.036 314 L CA -0.156 54.699 54.840 0.024 0.000 0.807 314 L CB 1.391 43.448 42.059 -0.004 0.000 1.226 314 L HN 0.648 nan 8.230 nan 0.000 0.433 315 Q N 0.383 120.186 119.800 0.006 0.000 2.245 315 Q HA 0.199 4.539 4.340 -0.000 0.000 0.250 315 Q C -0.430 175.561 176.000 -0.015 0.000 0.830 315 Q CA 0.062 55.869 55.803 0.007 0.000 0.950 315 Q CB 1.014 29.769 28.738 0.028 0.000 1.124 315 Q HN 0.534 nan 8.270 nan 0.000 0.502 316 Q N 2.394 122.174 119.800 -0.034 0.000 2.293 316 Q HA 0.346 4.686 4.340 -0.000 0.000 0.261 316 Q C -2.412 173.505 176.000 -0.139 0.000 0.960 316 Q CA -2.238 53.530 55.803 -0.058 0.000 0.882 316 Q CB 1.639 30.367 28.738 -0.017 0.000 1.275 316 Q HN 0.027 nan 8.270 nan 0.000 0.445 317 P HA 0.016 nan 4.420 nan 0.000 0.276 317 P C 0.387 177.450 177.300 -0.396 0.000 1.230 317 P CA 0.128 62.915 63.100 -0.520 0.000 0.776 317 P CB 0.740 31.806 31.700 -1.056 0.000 0.888 318 I N 1.227 121.600 120.570 -0.328 0.000 2.584 318 I HA -0.046 4.124 4.170 -0.000 0.000 0.255 318 I C 1.559 177.680 176.117 0.006 0.000 1.145 318 I CA 0.712 61.944 61.300 -0.113 0.000 1.462 318 I CB -0.256 37.680 38.000 -0.105 0.000 1.102 318 I HN 0.028 nan 8.210 nan 0.000 0.433 319 R N 0.958 121.315 120.500 -0.237 0.000 2.193 319 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 319 R C -0.443 175.854 176.300 -0.005 0.000 1.055 319 R CA 0.670 56.765 56.100 -0.008 0.000 0.995 319 R CB -0.603 29.743 30.300 0.076 0.000 0.893 319 R HN 0.741 nan 8.270 nan 0.000 0.459 320 W N -2.619 118.508 121.300 -0.289 0.000 3.005 320 W HA 0.704 5.364 4.660 -0.000 0.000 0.343 320 W C -1.395 174.674 176.519 -0.751 0.000 1.243 320 W CA -1.677 55.126 57.345 -0.903 0.000 1.186 320 W CB 0.290 29.385 29.460 -0.609 0.000 1.453 320 W HN -0.097 nan 8.180 nan 0.000 0.575 321 A N 1.705 124.051 122.820 -0.790 0.000 2.388 321 A HA 0.365 4.685 4.320 -0.000 0.000 0.257 321 A C 0.181 177.772 177.584 0.012 0.000 1.095 321 A CA -0.397 51.451 52.037 -0.314 0.000 0.791 321 A CB 0.490 19.344 19.000 -0.244 0.000 1.029 321 A HN 0.745 nan 8.150 nan 0.000 0.489 322 Q N 0.722 120.548 119.800 0.044 0.000 2.395 322 Q HA 0.374 4.714 4.340 -0.000 0.000 0.271 322 Q C 1.113 177.157 176.000 0.072 0.000 1.026 322 Q CA 1.262 57.108 55.803 0.073 0.000 0.900 322 Q CB 0.260 29.033 28.738 0.058 0.000 1.266 322 Q HN 1.777 nan 8.270 nan 0.000 0.430 323 G N 2.068 110.915 108.800 0.078 0.000 2.176 323 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.232 323 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.232 323 G C 0.191 175.092 174.900 0.002 0.000 0.986 323 G CA -0.137 44.988 45.100 0.040 0.000 0.643 323 G HN 0.902 nan 8.290 nan 0.000 0.522 324 C N 3.301 122.610 119.300 0.015 0.000 2.517 324 C HA 0.362 4.822 4.460 -0.000 0.000 0.403 324 C C 0.798 175.711 174.990 -0.128 0.000 1.467 324 C CA -0.221 58.735 59.018 -0.102 0.000 1.542 324 C CB 0.442 28.071 27.740 -0.184 0.000 2.482 324 C HN 0.448 nan 8.230 nan 0.000 0.610 325 P HA -0.120 nan 4.420 nan 0.000 0.221 325 P C 1.503 178.718 177.300 -0.143 0.000 1.150 325 P CA 0.967 63.979 63.100 -0.147 0.000 0.800 325 P CB 0.026 31.605 31.700 -0.201 0.000 0.787 326 L N 1.022 122.112 121.223 -0.221 0.000 2.044 326 L HA -0.069 4.271 4.340 -0.000 0.000 0.205 326 L C 2.602 179.359 176.870 -0.188 0.000 1.075 326 L CA 1.944 56.653 54.840 -0.218 0.000 0.747 326 L CB -1.464 40.392 42.059 -0.338 0.000 0.903 326 L HN -0.107 nan 8.230 nan 0.000 0.435 327 E N 0.071 120.131 120.200 -0.232 0.000 2.085 327 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 327 E C 1.307 177.915 176.600 0.013 0.000 0.994 327 E CA 0.764 57.105 56.400 -0.098 0.000 0.801 327 E CB -0.114 29.580 29.700 -0.010 0.000 0.743 327 E HN 0.469 nan 8.360 nan 0.000 0.453 331 S N 0.903 116.578 115.700 -0.042 0.000 2.370 331 S HA -0.248 4.222 4.470 -0.000 0.000 0.226 331 S C 1.539 176.054 174.600 -0.142 0.000 1.033 331 S CA 2.284 60.435 58.200 -0.081 0.000 1.011 331 S CB -0.338 62.974 63.200 0.187 0.000 0.852 331 S HN 0.705 nan 8.310 nan 0.000 0.457 332 E N 1.442 121.617 120.200 -0.042 0.000 2.106 332 E HA 0.029 4.379 4.350 -0.000 0.000 0.192 332 E C 2.469 179.069 176.600 -0.001 0.000 0.984 332 E CA 0.867 57.262 56.400 -0.007 0.000 0.806 332 E CB -0.385 29.309 29.700 -0.010 0.000 0.750 332 E HN 0.728 nan 8.360 nan 0.000 0.458 333 A N 0.924 123.702 122.820 -0.070 0.000 1.930 333 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 333 A C 1.949 179.542 177.584 0.014 0.000 1.175 333 A CA 1.002 52.995 52.037 -0.074 0.000 0.627 333 A CB -0.226 18.736 19.000 -0.063 0.000 0.815 333 A HN 0.148 nan 8.150 nan 0.000 0.443 334 L N -0.368 120.737 121.223 -0.196 0.000 2.728 334 L HA 0.149 4.489 4.340 -0.000 0.000 0.238 334 L C -0.115 176.611 176.870 -0.240 0.000 1.143 334 L CA -0.336 54.340 54.840 -0.274 0.000 0.937 334 L CB 0.536 42.313 42.059 -0.470 0.000 1.225 334 L HN 0.081 nan 8.230 nan 0.000 0.507 335 V N 0.128 119.965 119.914 -0.129 0.000 6.125 335 V HA -0.281 3.839 4.120 -0.000 0.000 0.281 335 V C 0.885 177.125 176.094 0.242 0.000 0.591 335 V CA 0.582 62.932 62.300 0.085 0.000 0.617 335 V CB -2.524 29.411 31.823 0.187 0.000 0.336 335 V HN 0.294 nan 8.190 nan 0.000 0.650 336 F N -0.443 119.591 119.950 0.141 0.000 2.569 336 F HA 0.193 4.720 4.527 -0.000 0.000 0.295 336 F C 1.653 177.475 175.800 0.037 0.000 1.115 336 F CA 0.118 58.175 58.000 0.094 0.000 1.450 336 F CB -0.064 38.987 39.000 0.086 0.000 1.107 336 F HN 0.488 nan 8.300 nan 0.000 0.563 337 D N 0.890 121.422 120.400 0.220 0.000 2.455 337 D HA -0.044 4.596 4.640 -0.000 0.000 0.241 337 D C -0.542 175.764 176.300 0.010 0.000 1.138 337 D CA 0.699 54.758 54.000 0.098 0.000 0.877 337 D CB 0.891 41.748 40.800 0.094 0.000 1.187 337 D HN 0.049 nan 8.370 nan 0.000 0.451 338 D N 1.846 122.166 120.400 -0.133 0.000 2.837 338 D HA 0.047 4.687 4.640 -0.000 0.000 0.340 338 D C 0.193 176.160 176.300 -0.554 0.000 1.451 338 D CA -0.303 53.503 54.000 -0.324 0.000 0.798 338 D CB 0.500 41.031 40.800 -0.450 0.000 1.169 338 D HN 0.266 nan 8.370 nan 0.000 0.449 339 E N 0.525 120.616 120.200 -0.181 0.000 2.505 339 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 339 E C 1.589 178.322 176.600 0.221 0.000 1.111 339 E CA 0.129 56.573 56.400 0.074 0.000 0.887 339 E CB -0.021 29.773 29.700 0.157 0.000 0.913 339 E HN 0.529 nan 8.360 nan 0.000 0.517 340 N N 1.035 119.813 118.700 0.129 0.000 2.106 340 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 340 N C 1.910 177.650 175.510 0.384 0.000 1.029 340 N CA 1.042 54.227 53.050 0.224 0.000 0.848 340 N CB -1.030 37.525 38.487 0.112 0.000 1.007 340 N HN 0.211 nan 8.380 nan 0.000 0.423 341 F N 2.714 122.647 119.950 -0.028 0.000 2.236 341 F HA -0.088 4.439 4.527 -0.000 0.000 0.302 341 F C 2.027 177.832 175.800 0.009 0.000 1.073 341 F CA 1.366 59.317 58.000 -0.081 0.000 1.336 341 F CB -2.107 36.837 39.000 -0.093 0.000 1.040 341 F HN 0.156 nan 8.300 nan 0.000 0.507 342 T N -1.824 112.747 114.554 0.028 0.000 2.809 342 T HA -0.056 4.294 4.350 -0.000 0.000 0.260 342 T C 0.782 175.367 174.700 -0.192 0.000 1.039 342 T CA 0.980 62.845 62.100 -0.392 0.000 1.141 342 T CB -0.843 67.707 68.868 -0.531 0.000 0.869 342 T HN 0.340 nan 8.240 nan 0.000 0.437 343 H N 1.810 120.970 119.070 0.150 0.000 2.548 343 H HA 0.419 4.975 4.556 -0.000 0.000 0.331 343 H C -0.267 175.081 175.328 0.034 0.000 1.093 343 H CA -0.248 55.849 56.048 0.082 0.000 1.367 343 H CB 0.540 30.349 29.762 0.078 0.000 1.455 343 H HN 0.137 nan 8.280 nan 0.000 0.519 344 T N 6.466 121.046 114.554 0.043 0.000 2.727 344 T HA 0.179 4.529 4.350 -0.000 0.000 0.298 344 T C -2.097 172.515 174.700 -0.146 0.000 0.942 344 T CA -1.259 60.745 62.100 -0.159 0.000 0.997 344 T CB 0.645 69.459 68.868 -0.091 0.000 0.917 344 T HN 0.405 nan 8.240 nan 0.000 0.487 345 P HA 0.170 nan 4.420 nan 0.000 0.271 345 P C -0.561 176.684 177.300 -0.091 0.000 1.233 345 P CA -0.442 62.584 63.100 -0.123 0.000 0.764 345 P CB 0.800 32.430 31.700 -0.117 0.000 0.825 346 Q N 1.520 121.288 119.800 -0.054 0.000 2.248 346 Q HA 0.677 5.017 4.340 -0.000 0.000 0.263 346 Q C 0.686 176.669 176.000 -0.028 0.000 1.007 346 Q CA -0.184 55.595 55.803 -0.041 0.000 0.877 346 Q CB 2.343 31.060 28.738 -0.035 0.000 1.315 346 Q HN 0.841 nan 8.270 nan 0.000 0.454 347 G N 1.529 110.315 108.800 -0.022 0.000 2.498 347 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.651 347 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.651 347 G C -1.101 173.794 174.900 -0.010 0.000 1.284 347 G CA -1.025 44.066 45.100 -0.015 0.000 0.950 347 G HN 0.546 nan 8.290 nan 0.000 0.511 348 N N -0.066 118.631 118.700 -0.005 0.000 2.513 348 N HA 0.489 5.229 4.740 -0.000 0.000 0.268 348 N C 0.482 175.995 175.510 0.006 0.000 1.180 348 N CA 0.088 53.139 53.050 0.001 0.000 0.948 348 N CB 0.729 39.218 38.487 0.004 0.000 1.083 348 N HN 0.934 nan 8.380 nan 0.000 0.455 349 I N -0.911 119.666 120.570 0.012 0.000 2.441 349 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 349 I C -0.395 175.738 176.117 0.028 0.000 1.049 349 I CA -0.618 60.694 61.300 0.020 0.000 1.381 349 I CB 0.518 38.535 38.000 0.028 0.000 1.409 349 I HN 0.063 nan 8.210 nan 0.000 0.523 350 V N 6.961 126.893 119.914 0.030 0.000 2.417 350 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 350 V C 0.216 176.342 176.094 0.053 0.000 1.024 350 V CA -0.595 61.727 62.300 0.036 0.000 0.861 350 V CB 1.359 33.197 31.823 0.025 0.000 0.985 350 V HN 0.548 nan 8.190 nan 0.000 0.436 351 I N 4.491 125.101 120.570 0.066 0.000 2.440 351 I HA 0.661 4.831 4.170 -0.000 0.000 0.294 351 I C 0.412 176.587 176.117 0.097 0.000 0.995 351 I CA 0.343 61.697 61.300 0.090 0.000 1.306 351 I CB 1.489 39.547 38.000 0.095 0.000 1.407 351 I HN 0.881 nan 8.210 nan 0.000 0.501 352 S N 3.772 119.547 115.700 0.126 0.000 2.552 352 S HA 0.863 5.333 4.470 -0.000 0.000 0.272 352 S C -1.000 173.725 174.600 0.209 0.000 1.150 352 S CA -0.825 57.457 58.200 0.137 0.000 0.849 352 S CB 1.821 65.080 63.200 0.098 0.000 1.113 352 S HN 0.858 nan 8.310 nan 0.000 0.458 353 A N 1.392 124.332 122.820 0.200 0.000 2.311 353 A HA 1.030 5.350 4.320 -0.000 0.000 0.334 353 A C -0.692 177.087 177.584 0.324 0.000 1.139 353 A CA -0.889 51.282 52.037 0.223 0.000 0.830 353 A CB 0.615 19.684 19.000 0.115 0.000 1.234 353 A HN 1.929 nan 8.150 nan 0.000 0.483 354 F N -1.386 118.618 119.950 0.091 0.000 2.703 354 F HA 0.731 5.258 4.527 -0.000 0.000 0.308 354 F C -0.740 175.157 175.800 0.161 0.000 1.126 354 F CA -0.979 57.065 58.000 0.074 0.000 0.959 354 F CB 0.915 39.918 39.000 0.005 0.000 1.297 354 F HN 0.460 nan 8.300 nan 0.000 0.441 355 E N 0.834 121.130 120.200 0.161 0.000 2.284 355 E HA 0.271 4.621 4.350 -0.000 0.000 0.255 355 E C 0.265 176.986 176.600 0.200 0.000 1.052 355 E CA -0.703 55.762 56.400 0.109 0.000 0.904 355 E CB 1.105 30.880 29.700 0.126 0.000 1.217 355 E HN 0.893 nan 8.360 nan 0.000 0.438 356 Q N 0.097 120.025 119.800 0.214 0.000 2.234 356 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 356 Q C 1.851 177.948 176.000 0.162 0.000 0.980 356 Q CA 1.951 57.937 55.803 0.305 0.000 0.869 356 Q CB -0.220 28.706 28.738 0.313 0.000 0.912 356 Q HN 0.731 nan 8.270 nan 0.000 0.436 357 T N -0.524 114.137 114.554 0.179 0.000 2.778 357 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 357 T C 1.783 176.538 174.700 0.092 0.000 1.050 357 T CA 0.705 62.908 62.100 0.173 0.000 1.137 357 T CB -0.234 68.722 68.868 0.146 0.000 0.860 357 T HN 0.188 nan 8.240 nan 0.000 0.468 358 L N -0.660 120.602 121.223 0.066 0.000 2.189 358 L HA -0.041 4.299 4.340 -0.000 0.000 0.214 358 L C 2.259 179.051 176.870 -0.130 0.000 1.097 358 L CA 1.687 56.508 54.840 -0.030 0.000 0.764 358 L CB -1.136 40.932 42.059 0.015 0.000 0.900 358 L HN 0.531 nan 8.230 nan 0.000 0.436 359 W N -0.036 121.124 121.300 -0.235 0.000 2.424 359 W HA -0.255 4.405 4.660 -0.000 0.000 0.264 359 W C 2.684 179.102 176.519 -0.167 0.000 1.229 359 W CA 1.190 58.339 57.345 -0.327 0.000 1.208 359 W CB 0.086 29.127 29.460 -0.697 0.000 1.127 359 W HN 0.356 nan 8.180 nan 0.000 0.588 360 Q N -0.488 119.397 119.800 0.141 0.000 2.514 360 Q HA -0.109 4.231 4.340 -0.000 0.000 0.208 360 Q C 2.364 178.420 176.000 0.094 0.000 0.938 360 Q CA 1.485 57.400 55.803 0.186 0.000 0.892 360 Q CB -0.357 28.529 28.738 0.246 0.000 1.050 360 Q HN 0.089 nan 8.270 nan 0.000 0.595 361 S N -0.126 115.609 115.700 0.058 0.000 2.357 361 S HA -0.082 4.388 4.470 -0.000 0.000 0.221 361 S C 0.577 175.168 174.600 -0.015 0.000 1.031 361 S CA 1.213 59.425 58.200 0.020 0.000 0.982 361 S CB -0.008 63.200 63.200 0.013 0.000 0.853 361 S HN 0.426 nan 8.310 nan 0.000 0.458 362 D N 1.947 122.312 120.400 -0.059 0.000 2.405 362 D HA 0.372 5.012 4.640 -0.000 0.000 0.264 362 D C -1.987 174.208 176.300 -0.176 0.000 1.240 362 D CA -2.330 51.604 54.000 -0.109 0.000 0.893 362 D CB 1.571 42.282 40.800 -0.148 0.000 1.198 362 D HN 0.025 nan 8.370 nan 0.000 0.514 363 P HA -0.170 nan 4.420 nan 0.000 0.218 363 P C 0.842 178.020 177.300 -0.203 0.000 1.148 363 P CA 1.004 64.056 63.100 -0.081 0.000 0.822 363 P CB 0.651 32.423 31.700 0.119 0.000 0.784 364 E N -0.294 119.816 120.200 -0.151 0.000 2.118 364 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 364 E C 2.160 178.600 176.600 -0.266 0.000 0.992 364 E CA 1.853 58.162 56.400 -0.152 0.000 0.804 364 E CB -1.359 28.279 29.700 -0.104 0.000 0.741 364 E HN 0.269 nan 8.360 nan 0.000 0.458 365 T N 0.959 115.281 114.554 -0.387 0.000 2.595 365 T HA -0.112 4.238 4.350 -0.000 0.000 0.264 365 T C -0.840 173.473 174.700 -0.646 0.000 1.058 365 T CA 1.754 63.531 62.100 -0.539 0.000 1.166 365 T CB -1.199 67.226 68.868 -0.740 0.000 0.863 365 T HN 0.126 nan 8.240 nan 0.000 0.415 366 P HA -0.019 nan 4.420 nan 0.000 0.216 366 P C 1.448 178.326 177.300 -0.704 0.000 1.150 366 P CA 0.601 63.032 63.100 -1.115 0.000 0.837 366 P CB -0.117 30.044 31.700 -2.565 0.000 0.786 367 L N -0.039 120.876 121.223 -0.514 0.000 1.989 367 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 367 L C 2.156 179.027 176.870 0.001 0.000 1.071 367 L CA 1.988 56.799 54.840 -0.049 0.000 0.749 367 L CB -1.664 40.402 42.059 0.012 0.000 0.890 367 L HN -0.041 nan 8.230 nan 0.000 0.431 368 K N -1.159 119.191 120.400 -0.083 0.000 2.032 368 K HA -0.152 4.167 4.320 -0.000 0.000 0.209 368 K C 2.030 178.618 176.600 -0.020 0.000 1.048 368 K CA 1.307 57.571 56.287 -0.037 0.000 0.927 368 K CB -0.310 32.148 32.500 -0.071 0.000 0.712 368 K HN 0.115 nan 8.250 nan 0.000 0.441 369 V N 0.478 120.349 119.914 -0.072 0.000 2.343 369 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 369 V C 2.013 178.132 176.094 0.042 0.000 1.051 369 V CA 1.793 64.088 62.300 -0.009 0.000 1.036 369 V CB -0.538 31.279 31.823 -0.010 0.000 0.654 369 V HN 0.303 nan 8.190 nan 0.000 0.451 370 Y N 0.901 121.159 120.300 -0.069 0.000 2.165 370 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 370 Y C 2.645 178.580 175.900 0.058 0.000 1.155 370 Y CA 2.078 60.186 58.100 0.013 0.000 1.164 370 Y CB -0.362 38.127 38.460 0.050 0.000 0.978 370 Y HN 0.296 nan 8.280 nan 0.000 0.513 371 Q N -0.548 119.261 119.800 0.015 0.000 2.096 371 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 371 Q C 2.212 178.149 176.000 -0.106 0.000 0.982 371 Q CA 1.962 57.729 55.803 -0.061 0.000 0.850 371 Q CB -0.412 28.344 28.738 0.031 0.000 0.901 371 Q HN 0.545 nan 8.270 nan 0.000 0.422 372 L N -0.028 121.171 121.223 -0.040 0.000 2.005 372 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 372 L C 1.890 178.748 176.870 -0.020 0.000 1.072 372 L CA 1.521 56.352 54.840 -0.015 0.000 0.744 372 L CB -0.595 41.488 42.059 0.041 0.000 0.895 372 L HN 0.169 nan 8.230 nan 0.000 0.433 373 L N -0.117 121.105 121.223 -0.001 0.000 2.012 373 L HA -0.196 4.144 4.340 -0.000 0.000 0.210 373 L C 2.901 179.750 176.870 -0.034 0.000 1.073 373 L CA 2.158 57.028 54.840 0.050 0.000 0.748 373 L CB -1.514 40.655 42.059 0.184 0.000 0.891 373 L HN 0.660 nan 8.230 nan 0.000 0.431 374 S N -1.526 114.026 115.700 -0.248 0.000 2.406 374 S HA -0.036 4.434 4.470 -0.000 0.000 0.228 374 S C 2.098 176.629 174.600 -0.114 0.000 1.020 374 S CA 0.639 58.678 58.200 -0.269 0.000 0.965 374 S CB -0.951 61.839 63.200 -0.682 0.000 0.798 374 S HN 0.363 nan 8.310 nan 0.000 0.488 375 G N 0.995 109.723 108.800 -0.119 0.000 2.471 375 G HA2 0.194 4.154 3.960 -0.000 0.000 0.219 375 G HA3 0.194 4.154 3.960 -0.000 0.000 0.219 375 G C 1.329 176.242 174.900 0.023 0.000 1.125 375 G CA 0.536 45.593 45.100 -0.072 0.000 0.775 375 G HN 0.804 nan 8.290 nan 0.000 0.548 376 A N -1.102 121.759 122.820 0.069 0.000 2.308 376 A HA 0.304 4.624 4.320 -0.000 0.000 0.217 376 A C 0.785 178.532 177.584 0.272 0.000 1.216 376 A CA -0.361 51.770 52.037 0.157 0.000 0.864 376 A CB -0.237 18.832 19.000 0.114 0.000 0.902 376 A HN 0.479 nan 8.150 nan 0.000 0.499 377 H N -1.403 117.700 119.070 0.055 0.000 2.482 377 H HA 0.266 4.822 4.556 -0.000 0.000 0.344 377 H C 1.078 176.263 175.328 -0.237 0.000 1.151 377 H CA -0.198 55.847 56.048 -0.005 0.000 1.300 377 H CB 0.834 30.570 29.762 -0.042 0.000 1.494 377 H HN 0.428 nan 8.280 nan 0.000 0.542 378 Y N 2.999 122.624 120.300 -1.125 0.000 2.373 378 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 378 Y C 0.402 175.857 175.900 -0.741 0.000 1.129 378 Y CA 0.304 57.479 58.100 -1.541 0.000 1.226 378 Y CB 0.104 37.560 38.460 -1.673 0.000 1.000 378 Y HN 0.366 nan 8.280 nan 0.000 0.549 379 R N 1.293 120.968 120.500 -1.375 0.000 2.621 379 R HA 0.442 4.782 4.340 -0.000 0.000 0.292 379 R C -1.148 174.986 176.300 -0.277 0.000 0.969 379 R CA -0.187 55.367 56.100 -0.910 0.000 0.887 379 R CB 1.386 30.972 30.300 -1.190 0.000 1.180 379 R HN 0.257 nan 8.270 nan 0.000 0.450 380 T N 0.172 114.618 114.554 -0.180 0.000 2.902 380 T HA 0.648 4.998 4.350 -0.000 0.000 0.283 380 T C -0.401 174.329 174.700 0.049 0.000 1.009 380 T CA -0.747 61.342 62.100 -0.019 0.000 1.051 380 T CB 1.602 70.457 68.868 -0.021 0.000 0.999 380 T HN 0.465 nan 8.240 nan 0.000 0.474 381 S N 1.946 117.742 115.700 0.160 0.000 2.563 381 S HA 0.450 4.920 4.470 -0.000 0.000 0.279 381 S C -2.319 172.414 174.600 0.221 0.000 1.155 381 S CA -1.170 57.142 58.200 0.188 0.000 0.928 381 S CB 1.868 65.144 63.200 0.127 0.000 1.107 381 S HN 0.574 nan 8.310 nan 0.000 0.462 382 P HA -0.035 nan 4.420 nan 0.000 0.225 382 P C 1.514 178.739 177.300 -0.125 0.000 1.148 382 P CA 0.401 63.545 63.100 0.073 0.000 0.779 382 P CB 0.120 31.880 31.700 0.100 0.000 0.780 383 L N 0.855 122.039 121.223 -0.066 0.000 2.042 383 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 383 L C 2.138 178.894 176.870 -0.191 0.000 1.076 383 L CA 1.955 56.682 54.840 -0.188 0.000 0.749 383 L CB -1.267 40.805 42.059 0.022 0.000 0.893 383 L HN -0.089 nan 8.230 nan 0.000 0.432 384 D N -1.013 119.408 120.400 0.035 0.000 2.097 384 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 384 D C 2.179 178.601 176.300 0.203 0.000 0.989 384 D CA 1.168 55.304 54.000 0.226 0.000 0.827 384 D CB -0.202 40.804 40.800 0.344 0.000 0.966 384 D HN 0.208 nan 8.370 nan 0.000 0.456 385 L N 1.413 122.598 121.223 -0.063 0.000 2.012 385 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 385 L C 2.146 178.668 176.870 -0.580 0.000 1.073 385 L CA 1.643 56.145 54.840 -0.563 0.000 0.748 385 L CB -0.232 41.367 42.059 -0.766 0.000 0.891 385 L HN -0.174 nan 8.230 nan 0.000 0.431 386 R N -0.007 120.051 120.500 -0.736 0.000 2.091 386 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 386 R C 1.483 177.191 176.300 -0.986 0.000 1.136 386 R CA 0.794 56.204 56.100 -1.149 0.000 0.959 386 R CB -0.899 28.245 30.300 -1.928 0.000 0.856 386 R HN 0.443 nan 8.270 nan 0.000 0.437 391 A N 2.891 125.907 122.820 0.326 0.000 2.498 391 A HA 0.445 4.765 4.320 -0.000 0.000 0.239 391 A C -2.174 175.521 177.584 0.186 0.000 1.068 391 A CA -0.318 51.920 52.037 0.337 0.000 0.766 391 A CB -0.084 19.159 19.000 0.406 0.000 1.003 391 A HN -0.075 nan 8.150 nan 0.000 0.497 392 P HA 0.343 nan 4.420 nan 0.000 0.276 392 P C 0.665 177.978 177.300 0.022 0.000 1.244 392 P CA 0.999 64.133 63.100 0.057 0.000 0.801 392 P CB 1.047 32.775 31.700 0.046 0.000 1.006 393 G N 0.082 108.844 108.800 -0.063 0.000 2.143 393 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.248 393 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.248 393 G C 0.022 174.771 174.900 -0.251 0.000 0.991 393 G CA -0.189 44.841 45.100 -0.117 0.000 0.689 393 G HN 0.602 nan 8.290 nan 0.000 0.522 394 Q N 0.668 120.262 119.800 -0.344 0.000 2.256 394 Q HA 0.543 4.883 4.340 -0.000 0.000 0.254 394 Q C -0.200 175.205 176.000 -0.991 0.000 0.916 394 Q CA -0.055 55.507 55.803 -0.401 0.000 0.932 394 Q CB 1.386 30.034 28.738 -0.151 0.000 1.207 394 Q HN 0.638 nan 8.270 nan 0.000 0.426 395 H N 1.956 120.588 119.070 -0.730 0.000 2.806 395 H HA 0.509 5.065 4.556 -0.000 0.000 0.367 395 H C -0.821 173.855 175.328 -1.087 0.000 1.136 395 H CA -0.381 55.166 56.048 -0.835 0.000 1.178 395 H CB 1.147 30.717 29.762 -0.319 0.000 1.718 395 H HN 0.385 nan 8.280 nan 0.000 0.540 396 F N 1.386 121.164 119.950 -0.286 0.000 2.598 396 F HA 0.552 5.079 4.527 -0.000 0.000 0.327 396 F C -0.431 175.207 175.800 -0.271 0.000 1.057 396 F CA -0.979 56.767 58.000 -0.423 0.000 0.957 396 F CB 1.669 40.045 39.000 -1.040 0.000 1.278 396 F HN 0.120 nan 8.300 nan 0.000 0.484 397 L N 1.568 122.900 121.223 0.180 0.000 2.482 397 L HA 0.437 4.777 4.340 -0.000 0.000 0.263 397 L C -0.986 176.078 176.870 0.325 0.000 0.957 397 L CA -0.626 54.361 54.840 0.245 0.000 0.836 397 L CB 2.133 44.312 42.059 0.200 0.000 1.324 397 L HN 0.891 nan 8.230 nan 0.000 0.406 398 Q N 1.892 121.889 119.800 0.328 0.000 2.413 398 Q HA 0.914 5.254 4.340 -0.000 0.000 0.276 398 Q C -1.180 174.912 176.000 0.154 0.000 1.099 398 Q CA -0.986 54.962 55.803 0.242 0.000 0.814 398 Q CB 2.956 31.815 28.738 0.201 0.000 1.379 398 Q HN 0.633 nan 8.270 nan 0.000 0.436 399 A N 1.186 124.078 122.820 0.119 0.000 2.293 399 A HA 0.761 5.080 4.320 -0.000 0.000 0.312 399 A C -0.815 176.806 177.584 0.061 0.000 1.309 399 A CA -0.385 51.706 52.037 0.089 0.000 0.839 399 A CB 0.772 19.828 19.000 0.092 0.000 1.155 399 A HN 0.811 nan 8.150 nan 0.000 0.501 400 A N 2.217 125.060 122.820 0.039 0.000 2.324 400 A HA 0.810 5.130 4.320 -0.000 0.000 0.330 400 A C 0.762 178.352 177.584 0.010 0.000 1.165 400 A CA 0.095 52.142 52.037 0.016 0.000 0.813 400 A CB 0.827 19.821 19.000 -0.010 0.000 1.197 400 A HN 1.349 nan 8.150 nan 0.000 0.484 401 G N -0.259 108.543 108.800 0.003 0.000 2.783 401 G HA2 0.322 4.282 3.960 -0.000 0.000 0.182 401 G HA3 0.322 4.282 3.960 -0.000 0.000 0.182 401 G C 0.671 175.564 174.900 -0.012 0.000 1.516 401 G CA 0.462 45.558 45.100 -0.006 0.000 1.079 401 G HN 0.771 nan 8.290 nan 0.000 0.573 402 E N -0.618 119.571 120.200 -0.017 0.000 2.042 402 E HA -0.025 4.325 4.350 -0.000 0.000 0.189 402 E C 1.467 178.053 176.600 -0.023 0.000 0.974 402 E CA 0.921 57.309 56.400 -0.019 0.000 0.806 402 E CB 0.176 29.864 29.700 -0.021 0.000 0.769 402 E HN 0.457 nan 8.360 nan 0.000 0.451 403 N N -0.457 118.228 118.700 -0.024 0.000 2.159 403 N HA 0.148 4.888 4.740 -0.000 0.000 0.217 403 N C -1.022 174.479 175.510 -0.016 0.000 1.223 403 N CA 0.022 53.056 53.050 -0.026 0.000 0.896 403 N CB 1.282 39.748 38.487 -0.035 0.000 1.064 403 N HN -0.026 nan 8.380 nan 0.000 0.518 404 E N 0.255 120.452 120.200 -0.005 0.000 2.430 404 E HA 0.344 4.694 4.350 -0.000 0.000 0.279 404 E C -0.892 175.722 176.600 0.023 0.000 1.003 404 E CA -0.824 55.587 56.400 0.019 0.000 0.801 404 E CB 2.341 32.073 29.700 0.054 0.000 1.313 404 E HN 0.018 nan 8.360 nan 0.000 0.459 405 I N -1.512 119.084 120.570 0.044 0.000 2.581 405 I HA 0.521 4.691 4.170 -0.000 0.000 0.288 405 I C 0.613 176.789 176.117 0.098 0.000 1.047 405 I CA -0.236 61.097 61.300 0.054 0.000 1.374 405 I CB 1.187 39.216 38.000 0.049 0.000 1.423 405 I HN 0.544 nan 8.210 nan 0.000 0.549 406 A N 3.850 126.723 122.820 0.089 0.000 2.382 406 A HA 0.717 5.037 4.320 -0.000 0.000 0.228 406 A C 0.786 178.448 177.584 0.130 0.000 1.217 406 A CA 0.351 52.456 52.037 0.114 0.000 0.923 406 A CB 0.059 19.092 19.000 0.056 0.000 0.979 406 A HN 1.057 nan 8.150 nan 0.000 0.515 407 G N -2.173 106.696 108.800 0.115 0.000 2.523 407 G HA2 0.690 4.650 3.960 -0.000 0.000 0.291 407 G HA3 0.690 4.650 3.960 -0.000 0.000 0.291 407 G C -1.270 173.712 174.900 0.137 0.000 1.450 407 G CA 0.207 45.377 45.100 0.117 0.000 0.790 407 G HN 1.256 nan 8.290 nan 0.000 0.496 408 A N -0.922 121.996 122.820 0.163 0.000 2.612 408 A HA 0.883 5.203 4.320 -0.000 0.000 0.293 408 A C -2.178 175.561 177.584 0.259 0.000 1.075 408 A CA -0.560 51.605 52.037 0.214 0.000 0.680 408 A CB 2.013 21.136 19.000 0.206 0.000 1.279 408 A HN 2.108 nan 8.150 nan 0.000 0.411 409 L N 0.507 121.917 121.223 0.312 0.000 2.455 409 L HA 0.853 5.193 4.340 -0.000 0.000 0.264 409 L C -2.129 175.014 176.870 0.455 0.000 0.968 409 L CA -0.241 54.812 54.840 0.354 0.000 0.827 409 L CB 1.935 44.178 42.059 0.305 0.000 1.317 409 L HN 0.849 nan 8.230 nan 0.000 0.407 410 W N 7.451 128.900 121.300 0.248 0.000 2.424 410 W HA 0.585 5.245 4.660 -0.000 0.000 0.318 410 W C -2.153 174.437 176.519 0.119 0.000 1.016 410 W CA -1.045 56.444 57.345 0.239 0.000 1.268 410 W CB 1.296 30.943 29.460 0.311 0.000 1.297 410 W HN 0.339 nan 8.180 nan 0.000 0.428 411 L N 6.322 127.802 121.223 0.427 0.000 2.332 411 L HA 0.694 5.034 4.340 -0.000 0.000 0.269 411 L C 0.071 177.096 176.870 0.258 0.000 1.016 411 L CA -1.211 53.793 54.840 0.274 0.000 0.809 411 L CB 1.133 43.310 42.059 0.197 0.000 1.280 411 L HN 0.258 nan 8.230 nan 0.000 0.447 412 V N -2.084 117.936 119.914 0.175 0.000 2.733 412 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 412 V C -0.554 175.614 176.094 0.123 0.000 1.084 412 V CA -0.995 61.388 62.300 0.137 0.000 0.905 412 V CB 2.080 33.964 31.823 0.100 0.000 1.010 412 V HN 0.638 nan 8.190 nan 0.000 0.424 413 D N 3.346 123.817 120.400 0.119 0.000 2.414 413 D HA 0.471 5.111 4.640 -0.000 0.000 0.242 413 D C -0.055 176.284 176.300 0.065 0.000 1.129 413 D CA 0.511 54.569 54.000 0.097 0.000 0.885 413 D CB 1.464 42.326 40.800 0.103 0.000 1.198 413 D HN 0.826 nan 8.370 nan 0.000 0.437 414 E N -0.475 119.749 120.200 0.041 0.000 2.433 414 E HA 0.544 4.894 4.350 -0.000 0.000 0.278 414 E C 0.095 176.702 176.600 0.011 0.000 0.976 414 E CA -1.042 55.384 56.400 0.043 0.000 0.793 414 E CB 2.372 32.121 29.700 0.081 0.000 1.311 414 E HN 0.527 nan 8.360 nan 0.000 0.460 415 G N -0.234 108.582 108.800 0.028 0.000 2.615 415 G HA2 0.056 4.016 3.960 -0.000 0.000 0.218 415 G HA3 0.056 4.016 3.960 -0.000 0.000 0.218 415 G C 0.654 175.552 174.900 -0.004 0.000 1.339 415 G CA 0.063 45.172 45.100 0.014 0.000 0.884 415 G HN 1.497 nan 8.290 nan 0.000 0.559 416 G N -2.198 106.593 108.800 -0.015 0.000 2.148 416 G HA2 0.065 4.025 3.960 -0.000 0.000 0.254 416 G HA3 0.065 4.025 3.960 -0.000 0.000 0.254 416 G C 0.445 175.339 174.900 -0.011 0.000 0.981 416 G CA 0.989 46.080 45.100 -0.015 0.000 0.670 416 G HN 1.548 nan 8.290 nan 0.000 0.528 417 L N 1.855 123.068 121.223 -0.016 0.000 2.461 417 L HA 0.509 4.849 4.340 -0.000 0.000 0.272 417 L C 1.634 178.478 176.870 -0.044 0.000 1.197 417 L CA 0.689 55.511 54.840 -0.030 0.000 0.836 417 L CB 0.964 42.994 42.059 -0.048 0.000 1.105 417 L HN 0.567 nan 8.230 nan 0.000 0.477 418 S N 1.512 117.185 115.700 -0.045 0.000 2.589 418 S HA 0.024 4.494 4.470 -0.000 0.000 0.265 418 S C 0.883 175.426 174.600 -0.096 0.000 1.342 418 S CA 0.052 58.227 58.200 -0.043 0.000 1.005 418 S CB 0.411 63.614 63.200 0.004 0.000 0.909 418 S HN 0.698 nan 8.310 nan 0.000 0.555 419 Q N 0.708 120.454 119.800 -0.090 0.000 2.050 419 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 419 Q C 2.196 178.066 176.000 -0.216 0.000 0.980 419 Q CA 1.839 57.554 55.803 -0.147 0.000 0.840 419 Q CB -0.327 28.338 28.738 -0.122 0.000 0.898 419 Q HN 0.882 nan 8.270 nan 0.000 0.424 420 Q N -0.035 119.673 119.800 -0.154 0.000 2.061 420 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 420 Q C 2.220 177.960 176.000 -0.432 0.000 0.984 420 Q CA 1.459 57.160 55.803 -0.170 0.000 0.846 420 Q CB -0.230 28.580 28.738 0.120 0.000 0.902 420 Q HN 0.356 nan 8.270 nan 0.000 0.421 421 L N 0.509 121.363 121.223 -0.615 0.000 2.046 421 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 421 L C 2.388 179.014 176.870 -0.407 0.000 1.077 421 L CA 1.937 56.267 54.840 -0.851 0.000 0.747 421 L CB -0.857 40.834 42.059 -0.614 0.000 0.896 421 L HN 0.097 nan 8.230 nan 0.000 0.432 422 S N -1.169 114.367 115.700 -0.272 0.000 2.359 422 S HA -0.276 4.194 4.470 -0.000 0.000 0.224 422 S C 2.002 176.507 174.600 -0.159 0.000 1.035 422 S CA 1.741 59.838 58.200 -0.172 0.000 1.018 422 S CB -0.205 62.903 63.200 -0.152 0.000 0.876 422 S HN 0.662 nan 8.310 nan 0.000 0.448 423 Q N 0.133 119.751 119.800 -0.304 0.000 2.084 423 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 423 Q C 2.466 178.493 176.000 0.045 0.000 0.978 423 Q CA 1.530 57.097 55.803 -0.393 0.000 0.844 423 Q CB -0.387 27.755 28.738 -0.993 0.000 0.898 423 Q HN 0.699 nan 8.270 nan 0.000 0.426 424 A N -0.134 122.697 122.820 0.019 0.000 1.930 424 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 424 A C 2.250 179.941 177.584 0.178 0.000 1.175 424 A CA 1.212 53.379 52.037 0.218 0.000 0.627 424 A CB -0.546 18.480 19.000 0.045 0.000 0.815 424 A HN 0.228 nan 8.150 nan 0.000 0.443 425 V N -2.062 117.879 119.914 0.046 0.000 2.358 425 V HA -0.251 3.868 4.120 -0.000 0.000 0.246 425 V C 2.172 178.296 176.094 0.049 0.000 1.047 425 V CA 1.806 64.117 62.300 0.019 0.000 1.035 425 V CB -0.935 30.870 31.823 -0.029 0.000 0.658 425 V HN 0.882 nan 8.190 nan 0.000 0.452 426 W N 1.174 122.431 121.300 -0.072 0.000 2.363 426 W HA -0.182 4.478 4.660 -0.000 0.000 0.296 426 W C 2.207 178.717 176.519 -0.015 0.000 1.212 426 W CA 1.776 59.093 57.345 -0.046 0.000 1.260 426 W CB -0.118 29.327 29.460 -0.025 0.000 1.131 426 W HN 0.163 nan 8.180 nan 0.000 0.530 427 A N -0.023 122.980 122.820 0.305 0.000 2.208 427 A HA 0.329 4.649 4.320 -0.000 0.000 0.209 427 A C 1.819 179.182 177.584 -0.368 0.000 1.161 427 A CA 1.106 53.123 52.037 -0.034 0.000 0.782 427 A CB -1.147 17.988 19.000 0.225 0.000 0.816 427 A HN 0.940 nan 8.150 nan 0.000 0.477 428 G N -1.716 106.969 108.800 -0.192 0.000 2.148 428 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.254 428 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.254 428 G C 0.597 175.451 174.900 -0.077 0.000 0.981 428 G CA 0.499 45.504 45.100 -0.160 0.000 0.670 428 G HN 0.515 nan 8.290 nan 0.000 0.528 429 F N 0.151 120.166 119.950 0.108 0.000 2.558 429 F HA 0.250 4.777 4.527 -0.000 0.000 0.298 429 F C 1.878 177.716 175.800 0.064 0.000 1.119 429 F CA 0.654 58.718 58.000 0.106 0.000 1.451 429 F CB 0.233 39.353 39.000 0.199 0.000 1.091 429 F HN 0.045 nan 8.300 nan 0.000 0.563 430 R N -0.405 120.220 120.500 0.208 0.000 2.566 430 R HA 0.399 4.739 4.340 -0.000 0.000 0.271 430 R C -1.075 175.257 176.300 0.054 0.000 1.071 430 R CA -0.813 55.367 56.100 0.134 0.000 0.915 430 R CB 2.027 32.426 30.300 0.165 0.000 1.228 430 R HN -0.010 nan 8.270 nan 0.000 0.449 431 R N 1.886 122.409 120.500 0.039 0.000 2.644 431 R HA 0.263 4.603 4.340 -0.000 0.000 0.271 431 R C -2.119 174.193 176.300 0.021 0.000 1.687 431 R CA -1.170 54.936 56.100 0.010 0.000 1.655 431 R CB 0.684 30.981 30.300 -0.005 0.000 1.285 431 R HN 0.375 nan 8.270 nan 0.000 0.643 432 P HA 0.375 nan 4.420 nan 0.000 0.302 432 P C -0.601 176.713 177.300 0.024 0.000 1.307 432 P CA -0.628 62.492 63.100 0.034 0.000 0.754 432 P CB 1.190 32.918 31.700 0.046 0.000 1.298 433 R N -2.725 117.790 120.500 0.026 0.000 3.018 433 R HA 0.619 4.959 4.340 -0.000 0.000 0.243 433 R C -0.242 176.075 176.300 0.029 0.000 1.315 433 R CA 0.378 56.494 56.100 0.026 0.000 1.039 433 R CB 1.063 31.380 30.300 0.027 0.000 1.315 433 R HN 0.933 nan 8.270 nan 0.000 0.492 434 G N 0.485 109.305 108.800 0.034 0.000 2.757 434 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.638 434 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.638 434 G C -1.090 173.833 174.900 0.039 0.000 1.344 434 G CA -0.312 44.812 45.100 0.040 0.000 0.855 434 G HN 0.846 nan 8.290 nan 0.000 0.537 435 N N -1.339 117.388 118.700 0.045 0.000 2.699 435 N HA -0.212 4.528 4.740 -0.000 0.000 0.256 435 N C 1.462 177.002 175.510 0.050 0.000 0.993 435 N CA 1.132 54.212 53.050 0.050 0.000 0.759 435 N CB -0.661 37.851 38.487 0.041 0.000 0.906 435 N HN 1.216 nan 8.380 nan 0.000 0.541 436 L N 0.241 121.494 121.223 0.049 0.000 1.963 436 L HA -0.214 4.126 4.340 -0.000 0.000 0.220 436 L C 2.105 179.006 176.870 0.053 0.000 1.076 436 L CA 2.028 56.895 54.840 0.046 0.000 0.772 436 L CB -0.611 41.472 42.059 0.040 0.000 0.892 436 L HN 0.258 nan 8.230 nan 0.000 0.435 437 V N -0.282 119.672 119.914 0.066 0.000 2.379 437 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 437 V C 2.733 178.880 176.094 0.088 0.000 1.044 437 V CA 1.406 63.749 62.300 0.072 0.000 1.036 437 V CB -1.154 30.721 31.823 0.087 0.000 0.664 437 V HN 0.644 nan 8.190 nan 0.000 0.453 438 A N 0.949 123.843 122.820 0.124 0.000 1.865 438 A HA -0.332 3.988 4.320 -0.000 0.000 0.217 438 A C 2.248 179.874 177.584 0.070 0.000 1.191 438 A CA 2.344 54.463 52.037 0.137 0.000 0.623 438 A CB -0.608 18.465 19.000 0.122 0.000 0.826 438 A HN 0.761 nan 8.150 nan 0.000 0.444 439 Q N -1.362 118.460 119.800 0.037 0.000 2.172 439 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 439 Q C 2.078 178.054 176.000 -0.040 0.000 0.964 439 Q CA 1.663 57.464 55.803 -0.004 0.000 0.855 439 Q CB -0.484 28.245 28.738 -0.015 0.000 0.918 439 Q HN 0.470 nan 8.270 nan 0.000 0.444 440 S N 0.379 116.073 115.700 -0.010 0.000 2.368 440 S HA -0.087 4.383 4.470 -0.000 0.000 0.225 440 S C 1.839 176.441 174.600 0.005 0.000 1.030 440 S CA 0.629 58.827 58.200 -0.004 0.000 0.999 440 S CB -0.151 63.121 63.200 0.121 0.000 0.844 440 S HN 0.361 nan 8.310 nan 0.000 0.459 441 L N 1.437 122.677 121.223 0.029 0.000 2.081 441 L HA -0.027 4.313 4.340 -0.000 0.000 0.212 441 L C 2.642 179.545 176.870 0.056 0.000 1.080 441 L CA 1.997 56.858 54.840 0.035 0.000 0.754 441 L CB -1.742 40.333 42.059 0.027 0.000 0.893 441 L HN 0.437 nan 8.230 nan 0.000 0.433 442 A N -1.234 121.611 122.820 0.043 0.000 1.861 442 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 442 A C 2.441 180.042 177.584 0.029 0.000 1.199 442 A CA 1.188 53.293 52.037 0.114 0.000 0.613 442 A CB -0.761 18.294 19.000 0.092 0.000 0.846 442 A HN 0.343 nan 8.150 nan 0.000 0.446 443 A N -1.023 121.691 122.820 -0.176 0.000 1.940 443 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 443 A C 1.903 179.186 177.584 -0.502 0.000 1.176 443 A CA 1.770 53.559 52.037 -0.413 0.000 0.631 443 A CB -0.688 17.967 19.000 -0.574 0.000 0.814 443 A HN 0.654 nan 8.150 nan 0.000 0.446 444 H N -1.471 117.542 119.070 -0.094 0.000 2.740 444 H HA 0.235 4.791 4.556 -0.000 0.000 0.265 444 H C 1.372 176.660 175.328 -0.068 0.000 0.978 444 H CA 0.314 56.297 56.048 -0.108 0.000 1.198 444 H CB -0.276 29.431 29.762 -0.091 0.000 1.467 444 H HN 0.451 nan 8.280 nan 0.000 0.511 445 G N 0.107 108.956 108.800 0.081 0.000 2.531 445 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.281 445 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.281 445 G C 0.820 175.850 174.900 0.217 0.000 1.382 445 G CA -0.342 44.829 45.100 0.118 0.000 1.045 445 G HN 0.192 nan 8.290 nan 0.000 0.533 446 N N -0.740 118.102 118.700 0.236 0.000 2.250 446 N HA -0.022 4.717 4.740 -0.000 0.000 0.190 446 N C -0.090 175.593 175.510 0.289 0.000 1.116 446 N CA -0.155 53.096 53.050 0.334 0.000 0.881 446 N CB 0.154 38.766 38.487 0.209 0.000 1.006 446 N HN 0.344 nan 8.380 nan 0.000 0.491 447 N N 1.611 120.420 118.700 0.181 0.000 2.462 447 N HA 0.239 4.979 4.740 -0.000 0.000 0.242 447 N C -2.030 173.444 175.510 -0.061 0.000 1.010 447 N CA -1.809 51.256 53.050 0.025 0.000 0.939 447 N CB 1.677 40.178 38.487 0.024 0.000 1.127 447 N HN -0.037 nan 8.380 nan 0.000 0.509 448 P HA -0.060 nan 4.420 nan 0.000 0.223 448 P C 0.653 177.765 177.300 -0.313 0.000 1.144 448 P CA 0.742 63.478 63.100 -0.607 0.000 0.783 448 P CB 0.397 31.446 31.700 -1.085 0.000 0.771 449 L N -1.992 119.097 121.223 -0.223 0.000 2.667 449 L HA 0.272 4.612 4.340 -0.000 0.000 0.232 449 L C 2.054 178.889 176.870 -0.057 0.000 1.138 449 L CA 0.080 54.828 54.840 -0.153 0.000 0.921 449 L CB -1.482 40.492 42.059 -0.143 0.000 1.180 449 L HN -0.132 nan 8.230 nan 0.000 0.487 450 A N 0.218 123.031 122.820 -0.011 0.000 1.986 450 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 450 A C 2.410 180.032 177.584 0.063 0.000 1.171 450 A CA 1.773 53.837 52.037 0.045 0.000 0.640 450 A CB -0.452 18.589 19.000 0.069 0.000 0.811 450 A HN 0.364 nan 8.150 nan 0.000 0.451 451 A N -0.468 122.369 122.820 0.028 0.000 2.168 451 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 451 A C 2.237 179.827 177.584 0.011 0.000 1.152 451 A CA 1.896 53.949 52.037 0.027 0.000 0.716 451 A CB -1.071 17.924 19.000 -0.008 0.000 0.794 451 A HN 0.754 nan 8.150 nan 0.000 0.465 452 T N -2.095 112.454 114.554 -0.009 0.000 2.951 452 T HA 0.118 4.468 4.350 -0.000 0.000 0.268 452 T C 0.608 175.307 174.700 -0.003 0.000 1.073 452 T CA 0.241 62.329 62.100 -0.020 0.000 1.134 452 T CB -0.568 68.277 68.868 -0.038 0.000 0.884 452 T HN 0.073 nan 8.240 nan 0.000 0.479 453 L N 1.830 123.072 121.223 0.033 0.000 2.452 453 L HA 0.365 4.705 4.340 -0.000 0.000 0.267 453 L C 0.825 177.658 176.870 -0.061 0.000 1.188 453 L CA 0.180 55.034 54.840 0.022 0.000 0.821 453 L CB 0.261 42.401 42.059 0.135 0.000 1.102 453 L HN 0.152 nan 8.230 nan 0.000 0.470 454 R N 0.754 121.155 120.500 -0.164 0.000 2.486 454 R HA 0.807 5.147 4.340 -0.000 0.000 0.286 454 R C -0.097 175.888 176.300 -0.525 0.000 0.999 454 R CA -0.503 55.458 56.100 -0.232 0.000 0.993 454 R CB 1.603 31.820 30.300 -0.139 0.000 1.084 454 R HN 0.830 nan 8.270 nan 0.000 0.487 455 G N 0.851 109.375 108.800 -0.460 0.000 2.608 455 G HA2 0.417 4.377 3.960 -0.000 0.000 0.291 455 G HA3 0.417 4.377 3.960 -0.000 0.000 0.291 455 G C -1.456 173.355 174.900 -0.149 0.000 1.425 455 G CA -0.872 43.887 45.100 -0.568 0.000 0.787 455 G HN 0.367 nan 8.290 nan 0.000 0.484 456 R N 0.344 120.830 120.500 -0.023 0.000 2.451 456 R HA 0.405 4.745 4.340 -0.000 0.000 0.307 456 R C -0.174 176.222 176.300 0.159 0.000 0.965 456 R CA -0.825 55.324 56.100 0.081 0.000 0.865 456 R CB 2.590 32.935 30.300 0.076 0.000 1.174 456 R HN 0.550 nan 8.270 nan 0.000 0.455 457 R N 2.364 122.954 120.500 0.151 0.000 2.441 457 R HA 0.237 4.577 4.340 -0.000 0.000 0.284 457 R C -0.552 175.824 176.300 0.126 0.000 1.070 457 R CA -0.398 55.790 56.100 0.146 0.000 1.047 457 R CB 1.055 31.418 30.300 0.104 0.000 1.016 457 R HN 0.283 nan 8.270 nan 0.000 0.477 458 V N 4.238 124.218 119.914 0.109 0.000 2.387 458 V HA -0.000 4.120 4.120 -0.000 0.000 0.260 458 V C 1.170 177.292 176.094 0.048 0.000 1.054 458 V CA 0.363 62.738 62.300 0.125 0.000 0.967 458 V CB 0.957 32.856 31.823 0.127 0.000 1.036 458 V HN 0.973 nan 8.190 nan 0.000 0.481 459 S N 5.158 120.852 115.700 -0.010 0.000 2.388 459 S HA 0.171 4.641 4.470 -0.000 0.000 0.223 459 S C 0.873 175.387 174.600 -0.143 0.000 1.034 459 S CA 0.639 58.716 58.200 -0.205 0.000 0.963 459 S CB 0.081 62.908 63.200 -0.622 0.000 0.827 459 S HN 0.683 nan 8.310 nan 0.000 0.481 460 R N -0.043 120.471 120.500 0.023 0.000 2.643 460 R HA 0.533 4.873 4.340 -0.000 0.000 0.269 460 R C -1.505 174.976 176.300 0.303 0.000 1.037 460 R CA -0.460 55.729 56.100 0.148 0.000 0.894 460 R CB 1.311 31.689 30.300 0.130 0.000 1.238 460 R HN 0.396 nan 8.270 nan 0.000 0.459 461 I N 0.348 121.088 120.570 0.282 0.000 2.692 461 I HA 0.719 4.889 4.170 -0.000 0.000 0.293 461 I C -1.643 174.570 176.117 0.161 0.000 1.200 461 I CA -0.413 61.049 61.300 0.270 0.000 1.036 461 I CB 2.086 40.293 38.000 0.345 0.000 1.258 461 I HN 0.797 nan 8.210 nan 0.000 0.421 462 A N 6.382 129.279 122.820 0.128 0.000 2.540 462 A HA 0.738 5.058 4.320 -0.000 0.000 0.297 462 A C -2.029 175.587 177.584 0.053 0.000 1.056 462 A CA -0.465 51.611 52.037 0.065 0.000 0.700 462 A CB 1.842 20.894 19.000 0.087 0.000 1.280 462 A HN 0.406 nan 8.150 nan 0.000 0.398 463 V N 3.626 123.543 119.914 0.005 0.000 2.448 463 V HA 0.322 4.442 4.120 -0.000 0.000 0.295 463 V C 0.211 176.343 176.094 0.064 0.000 1.025 463 V CA -0.715 61.606 62.300 0.034 0.000 0.859 463 V CB 1.526 33.339 31.823 -0.016 0.000 0.988 463 V HN 0.979 nan 8.190 nan 0.000 0.431 464 H N 8.555 127.636 119.070 0.019 0.000 3.140 464 H HA 0.007 4.563 4.556 -0.000 0.000 0.316 464 H C -1.392 173.939 175.328 0.005 0.000 0.986 464 H CA -0.808 55.257 56.048 0.027 0.000 1.397 464 H CB 1.609 31.394 29.762 0.039 0.000 1.377 464 H HN 0.398 nan 8.280 nan 0.000 0.585 465 P HA -0.160 nan 4.420 nan 0.000 0.217 465 P C 0.848 178.255 177.300 0.178 0.000 1.148 465 P CA 1.768 64.939 63.100 0.118 0.000 0.828 465 P CB 0.031 31.749 31.700 0.030 0.000 0.783 466 A N -0.667 122.368 122.820 0.359 0.000 2.235 466 A HA 0.016 4.336 4.320 -0.000 0.000 0.208 466 A C 1.681 179.272 177.584 0.011 0.000 1.172 466 A CA 0.610 52.704 52.037 0.095 0.000 0.786 466 A CB -0.375 18.604 19.000 -0.035 0.000 0.804 466 A HN 0.002 nan 8.150 nan 0.000 0.479 467 R N 0.033 120.560 120.500 0.044 0.000 2.642 467 R HA 0.112 4.452 4.340 -0.000 0.000 0.435 467 R C 0.083 176.393 176.300 0.016 0.000 1.046 467 R CA -0.098 56.008 56.100 0.009 0.000 1.103 467 R CB -0.272 30.025 30.300 -0.005 0.000 1.425 467 R HN 0.888 nan 8.270 nan 0.000 0.586 468 Q N 0.658 120.465 119.800 0.011 0.000 2.396 468 Q HA 0.204 4.544 4.340 -0.000 0.000 0.221 468 Q C -0.223 175.761 176.000 -0.027 0.000 1.025 468 Q CA -0.363 55.427 55.803 -0.021 0.000 0.946 468 Q CB 0.742 29.453 28.738 -0.045 0.000 1.224 468 Q HN -0.133 nan 8.270 nan 0.000 0.539 469 R N 0.329 120.804 120.500 -0.042 0.000 3.502 469 R HA -0.205 4.135 4.340 -0.000 0.000 0.266 469 R C -0.491 175.804 176.300 -0.008 0.000 1.077 469 R CA 1.393 57.477 56.100 -0.026 0.000 0.718 469 R CB -1.902 28.378 30.300 -0.033 0.000 1.120 469 R HN 0.910 nan 8.270 nan 0.000 0.457 470 E N -0.963 119.238 120.200 0.001 0.000 2.526 470 E HA 0.210 4.560 4.350 -0.000 0.000 0.208 470 E C 1.203 177.815 176.600 0.021 0.000 0.997 470 E CA 0.449 56.854 56.400 0.008 0.000 0.961 470 E CB 0.700 30.405 29.700 0.008 0.000 1.030 470 E HN 0.564 nan 8.360 nan 0.000 0.483 471 G N 1.082 109.902 108.800 0.034 0.000 2.176 471 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.232 471 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.232 471 G C 1.171 176.112 174.900 0.069 0.000 0.986 471 G CA 0.636 45.767 45.100 0.051 0.000 0.643 471 G HN 0.272 nan 8.290 nan 0.000 0.522 472 T N 0.753 115.344 114.554 0.062 0.000 2.746 472 T HA 0.048 4.398 4.350 -0.000 0.000 0.267 472 T C 2.578 177.342 174.700 0.108 0.000 1.039 472 T CA 2.271 64.415 62.100 0.073 0.000 1.142 472 T CB -0.632 68.270 68.868 0.057 0.000 0.866 472 T HN 0.976 nan 8.240 nan 0.000 0.444 473 G N 1.341 110.212 108.800 0.118 0.000 2.491 473 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 473 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 473 G C 1.555 176.630 174.900 0.292 0.000 1.180 473 G CA 0.954 46.174 45.100 0.199 0.000 0.774 473 G HN 0.438 nan 8.290 nan 0.000 0.562 474 R N -0.595 120.050 120.500 0.241 0.000 2.148 474 R HA -0.007 4.333 4.340 -0.000 0.000 0.223 474 R C 2.520 178.885 176.300 0.108 0.000 1.088 474 R CA 1.076 57.246 56.100 0.118 0.000 0.985 474 R CB -0.126 30.192 30.300 0.030 0.000 0.880 474 R HN 0.247 nan 8.270 nan 0.000 0.451 475 Q N 0.076 119.940 119.800 0.107 0.000 2.297 475 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 475 Q C 1.560 177.629 176.000 0.116 0.000 0.962 475 Q CA 0.754 56.611 55.803 0.091 0.000 0.879 475 Q CB -0.001 28.783 28.738 0.077 0.000 0.947 475 Q HN 0.217 nan 8.270 nan 0.000 0.462 476 L N -0.305 121.008 121.223 0.150 0.000 2.044 476 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 476 L C 1.779 178.765 176.870 0.193 0.000 1.075 476 L CA 1.304 56.250 54.840 0.176 0.000 0.747 476 L CB -0.804 41.377 42.059 0.204 0.000 0.903 476 L HN 0.224 nan 8.230 nan 0.000 0.435 477 I N -0.303 120.397 120.570 0.217 0.000 2.179 477 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 477 I C 2.667 178.872 176.117 0.147 0.000 1.088 477 I CA 1.414 62.855 61.300 0.235 0.000 1.357 477 I CB -1.628 36.548 38.000 0.293 0.000 1.051 477 I HN 0.189 nan 8.210 nan 0.000 0.409 478 A N 0.980 123.863 122.820 0.105 0.000 1.948 478 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 478 A C 2.482 180.106 177.584 0.066 0.000 1.177 478 A CA 2.034 54.108 52.037 0.061 0.000 0.636 478 A CB -1.367 17.659 19.000 0.044 0.000 0.815 478 A HN 0.461 nan 8.150 nan 0.000 0.449 479 G N -0.858 107.998 108.800 0.094 0.000 2.422 479 G HA2 0.056 4.016 3.960 -0.000 0.000 0.218 479 G HA3 0.056 4.016 3.960 -0.000 0.000 0.218 479 G C 1.660 176.622 174.900 0.103 0.000 1.140 479 G CA 1.251 46.411 45.100 0.101 0.000 0.775 479 G HN 0.809 nan 8.290 nan 0.000 0.545 480 A N 0.462 123.349 122.820 0.111 0.000 1.969 480 A HA 0.156 4.476 4.320 -0.000 0.000 0.218 480 A C 2.256 179.878 177.584 0.063 0.000 1.169 480 A CA 0.962 53.059 52.037 0.101 0.000 0.635 480 A CB -0.194 18.892 19.000 0.144 0.000 0.810 480 A HN 0.294 nan 8.150 nan 0.000 0.445 481 L N -0.863 120.390 121.223 0.050 0.000 2.270 481 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 481 L C 2.594 179.458 176.870 -0.009 0.000 1.104 481 L CA 0.981 55.827 54.840 0.011 0.000 0.804 481 L CB -1.381 40.673 42.059 -0.007 0.000 0.937 481 L HN 0.381 nan 8.230 nan 0.000 0.450 482 Q N 0.053 119.855 119.800 0.003 0.000 2.047 482 Q HA -0.242 4.098 4.340 -0.000 0.000 0.211 482 Q C 1.814 177.734 176.000 -0.133 0.000 1.005 482 Q CA 2.149 57.925 55.803 -0.045 0.000 0.866 482 Q CB -0.399 28.348 28.738 0.015 0.000 0.938 482 Q HN 0.500 nan 8.270 nan 0.000 0.414 483 Y N -0.852 119.444 120.300 -0.006 0.000 2.467 483 Y HA 0.146 4.696 4.550 -0.000 0.000 0.250 483 Y C 0.387 176.267 175.900 -0.034 0.000 1.155 483 Y CA -0.141 57.950 58.100 -0.015 0.000 1.249 483 Y CB 1.006 39.460 38.460 -0.010 0.000 1.146 483 Y HN -0.076 nan 8.280 nan 0.000 0.524 484 T N 1.407 115.999 114.554 0.064 0.000 2.832 484 T HA 0.432 4.782 4.350 -0.000 0.000 0.296 484 T C -0.494 174.197 174.700 -0.015 0.000 0.968 484 T CA 0.085 62.188 62.100 0.005 0.000 1.107 484 T CB 0.489 69.341 68.868 -0.027 0.000 0.916 484 T HN 0.309 nan 8.240 nan 0.000 0.517 485 Q N 1.845 121.634 119.800 -0.018 0.000 2.685 485 Q HA 0.355 4.695 4.340 -0.000 0.000 0.301 485 Q C -0.780 175.202 176.000 -0.029 0.000 0.924 485 Q CA -0.889 54.898 55.803 -0.026 0.000 0.755 485 Q CB 1.373 30.100 28.738 -0.018 0.000 1.470 485 Q HN 0.659 nan 8.270 nan 0.000 0.434 486 D N 0.033 120.415 120.400 -0.031 0.000 3.017 486 D HA -0.144 4.496 4.640 -0.000 0.000 0.220 486 D C -1.440 174.827 176.300 -0.055 0.000 1.141 486 D CA 0.565 54.545 54.000 -0.033 0.000 0.848 486 D CB -0.157 40.629 40.800 -0.023 0.000 1.102 486 D HN 0.187 nan 8.370 nan 0.000 0.427 487 L N 0.530 121.712 121.223 -0.069 0.000 2.309 487 L HA 0.442 4.782 4.340 -0.000 0.000 0.261 487 L C 1.328 178.128 176.870 -0.116 0.000 1.021 487 L CA -0.278 54.492 54.840 -0.116 0.000 0.823 487 L CB 1.585 43.573 42.059 -0.119 0.000 1.366 487 L HN -0.190 nan 8.230 nan 0.000 0.423 488 D N 0.106 120.385 120.400 -0.202 0.000 2.388 488 D HA 0.095 4.735 4.640 -0.000 0.000 0.208 488 D C -0.649 175.658 176.300 0.012 0.000 1.035 488 D CA 0.971 54.913 54.000 -0.098 0.000 0.875 488 D CB 1.176 41.933 40.800 -0.072 0.000 0.984 488 D HN 0.488 nan 8.370 nan 0.000 0.508 489 Y N -1.720 118.581 120.300 0.002 0.000 2.851 489 Y HA 0.497 5.047 4.550 -0.000 0.000 0.359 489 Y C -2.238 173.673 175.900 0.019 0.000 1.231 489 Y CA -1.423 56.675 58.100 -0.003 0.000 1.106 489 Y CB 0.378 38.844 38.460 0.010 0.000 1.409 489 Y HN -0.291 nan 8.280 nan 0.000 0.454 490 L N 2.431 123.879 121.223 0.375 0.000 2.342 490 L HA 0.892 5.232 4.340 -0.000 0.000 0.271 490 L C -0.370 176.805 176.870 0.508 0.000 1.008 490 L CA -0.123 54.917 54.840 0.334 0.000 0.818 490 L CB 2.095 44.251 42.059 0.162 0.000 1.296 490 L HN 1.031 nan 8.230 nan 0.000 0.427 491 S N 2.095 118.087 115.700 0.486 0.000 2.627 491 S HA 0.967 5.437 4.470 -0.000 0.000 0.283 491 S C -1.311 173.374 174.600 0.142 0.000 1.127 491 S CA -0.700 57.716 58.200 0.361 0.000 0.863 491 S CB 2.007 65.355 63.200 0.245 0.000 1.121 491 S HN 0.358 nan 8.310 nan 0.000 0.479 492 V N 0.831 120.698 119.914 -0.078 0.000 2.932 492 V HA 0.777 4.897 4.120 -0.000 0.000 0.307 492 V C -0.742 175.256 176.094 -0.159 0.000 1.147 492 V CA -0.608 61.511 62.300 -0.302 0.000 0.951 492 V CB 2.126 33.328 31.823 -1.034 0.000 1.031 492 V HN 1.040 nan 8.190 nan 0.000 0.426 493 S N 3.802 119.455 115.700 -0.079 0.000 2.519 493 S HA 0.925 5.395 4.470 -0.000 0.000 0.309 493 S C -1.128 173.504 174.600 0.054 0.000 1.100 493 S CA -0.440 57.717 58.200 -0.072 0.000 1.059 493 S CB 0.766 63.944 63.200 -0.037 0.000 1.008 493 S HN 0.924 nan 8.310 nan 0.000 0.478 494 F N 1.068 121.004 119.950 -0.023 0.000 2.686 494 F HA 0.790 5.317 4.527 -0.000 0.000 0.311 494 F C -0.018 175.851 175.800 0.116 0.000 1.128 494 F CA -1.145 56.897 58.000 0.070 0.000 0.946 494 F CB 0.542 39.627 39.000 0.142 0.000 1.336 494 F HN 0.591 nan 8.300 nan 0.000 0.457 495 G N 1.629 110.629 108.800 0.334 0.000 2.367 495 G HA2 0.208 4.168 3.960 -0.000 0.000 0.280 495 G HA3 0.208 4.168 3.960 -0.000 0.000 0.280 495 G C -1.147 173.990 174.900 0.395 0.000 1.175 495 G CA -0.226 45.009 45.100 0.225 0.000 1.001 495 G HN 0.818 nan 8.290 nan 0.000 0.437 496 Y N 2.699 123.089 120.300 0.149 0.000 2.717 496 Y HA 0.316 4.866 4.550 -0.000 0.000 0.330 496 Y C 0.595 176.685 175.900 0.316 0.000 1.217 496 Y CA 0.891 59.161 58.100 0.283 0.000 1.506 496 Y CB 0.814 39.328 38.460 0.090 0.000 1.268 496 Y HN 0.428 nan 8.280 nan 0.000 0.561 497 T N 5.215 119.429 114.554 -0.566 0.000 3.172 497 T HA 0.300 4.650 4.350 -0.000 0.000 0.320 497 T C 0.888 175.286 174.700 -0.504 0.000 1.085 497 T CA -0.177 61.684 62.100 -0.398 0.000 1.052 497 T CB 1.042 69.860 68.868 -0.084 0.000 1.107 497 T HN 0.892 nan 8.240 nan 0.000 0.458 498 G N 2.278 110.895 108.800 -0.305 0.000 2.556 498 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 498 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 498 G C 1.113 176.032 174.900 0.032 0.000 1.156 498 G CA 1.838 46.931 45.100 -0.012 0.000 0.766 498 G HN 0.848 nan 8.290 nan 0.000 0.583 499 E N 0.063 120.244 120.200 -0.031 0.000 2.006 499 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 499 E C 2.428 179.000 176.600 -0.048 0.000 0.993 499 E CA 0.861 57.237 56.400 -0.040 0.000 0.808 499 E CB -0.564 29.095 29.700 -0.068 0.000 0.764 499 E HN 0.263 nan 8.360 nan 0.000 0.449 500 L N 1.798 122.980 121.223 -0.068 0.000 2.089 500 L HA -0.192 4.148 4.340 -0.000 0.000 0.213 500 L C 2.050 178.897 176.870 -0.038 0.000 1.079 500 L CA 1.862 56.631 54.840 -0.118 0.000 0.758 500 L CB -0.944 41.058 42.059 -0.096 0.000 0.891 500 L HN 0.464 nan 8.230 nan 0.000 0.433 501 W N 1.245 122.511 121.300 -0.058 0.000 2.332 501 W HA -0.339 4.321 4.660 -0.000 0.000 0.321 501 W C 2.501 179.123 176.519 0.172 0.000 1.219 501 W CA 1.665 59.130 57.345 0.201 0.000 1.277 501 W CB -0.261 29.449 29.460 0.417 0.000 1.161 501 W HN 0.290 nan 8.180 nan 0.000 0.476 502 R N 0.383 120.660 120.500 -0.371 0.000 2.357 502 R HA -0.181 4.159 4.340 -0.000 0.000 0.202 502 R C 1.993 178.071 176.300 -0.371 0.000 1.047 502 R CA 1.361 57.105 56.100 -0.593 0.000 1.034 502 R CB -1.157 28.939 30.300 -0.340 0.000 0.875 502 R HN 0.276 nan 8.270 nan 0.000 0.473 503 F N 0.068 119.777 119.950 -0.403 0.000 2.128 503 F HA 0.048 4.575 4.527 -0.000 0.000 0.295 503 F C 1.178 176.728 175.800 -0.417 0.000 1.100 503 F CA 0.864 58.600 58.000 -0.441 0.000 1.260 503 F CB -0.395 38.232 39.000 -0.622 0.000 1.009 503 F HN -0.013 nan 8.300 nan 0.000 0.476 504 W N 0.986 121.992 121.300 -0.490 0.000 2.381 504 W HA -0.142 4.518 4.660 -0.000 0.000 0.301 504 W C 2.773 179.105 176.519 -0.312 0.000 1.205 504 W CA 1.282 58.349 57.345 -0.463 0.000 1.285 504 W CB -0.762 28.546 29.460 -0.254 0.000 1.133 504 W HN 0.126 nan 8.180 nan 0.000 0.521 505 Q N 0.545 120.033 119.800 -0.520 0.000 2.084 505 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 505 Q C 1.930 177.758 176.000 -0.287 0.000 0.978 505 Q CA 1.191 56.625 55.803 -0.615 0.000 0.844 505 Q CB -0.069 27.940 28.738 -1.214 0.000 0.898 505 Q HN 0.016 nan 8.270 nan 0.000 0.426 506 R N -0.632 119.674 120.500 -0.323 0.000 2.323 506 R HA 0.054 4.394 4.340 -0.000 0.000 0.198 506 R C 1.285 177.463 176.300 -0.203 0.000 0.988 506 R CA 0.186 56.152 56.100 -0.223 0.000 1.041 506 R CB -0.715 29.465 30.300 -0.199 0.000 0.926 506 R HN 0.309 nan 8.270 nan 0.000 0.476 507 C N -1.072 118.106 119.300 -0.203 0.000 2.926 507 C HA 0.330 4.790 4.460 -0.000 0.000 0.272 507 C C 1.474 176.458 174.990 -0.010 0.000 1.249 507 C CA 0.530 59.478 59.018 -0.117 0.000 1.691 507 C CB -0.203 27.451 27.740 -0.145 0.000 1.983 507 C HN 0.693 nan 8.230 nan 0.000 0.615 508 G N -0.056 108.740 108.800 -0.008 0.000 2.179 508 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 508 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 508 G C -0.049 174.812 174.900 -0.066 0.000 0.990 508 G CA -0.467 44.594 45.100 -0.065 0.000 0.646 508 G HN 0.357 nan 8.290 nan 0.000 0.517 509 F N 0.184 120.181 119.950 0.079 0.000 2.406 509 F HA 0.589 5.116 4.527 -0.000 0.000 0.327 509 F C 0.883 176.838 175.800 0.259 0.000 1.153 509 F CA -0.410 57.702 58.000 0.186 0.000 1.218 509 F CB 1.535 40.721 39.000 0.309 0.000 1.215 509 F HN -0.040 nan 8.300 nan 0.000 0.570 510 V N 3.920 124.091 119.914 0.429 0.000 2.448 510 V HA 0.230 4.350 4.120 -0.000 0.000 0.295 510 V C -0.563 175.735 176.094 0.339 0.000 1.025 510 V CA -0.970 61.517 62.300 0.310 0.000 0.859 510 V CB 1.615 33.488 31.823 0.085 0.000 0.988 510 V HN 0.465 nan 8.190 nan 0.000 0.431 511 L N 5.774 127.191 121.223 0.324 0.000 2.477 511 L HA 0.204 4.544 4.340 -0.000 0.000 0.272 511 L C 0.708 177.652 176.870 0.122 0.000 1.157 511 L CA 1.053 55.895 54.840 0.004 0.000 0.889 511 L CB 1.204 43.048 42.059 -0.359 0.000 1.158 511 L HN 0.512 nan 8.230 nan 0.000 0.473 512 V N 4.960 124.872 119.914 -0.004 0.000 3.572 512 V HA 0.353 4.473 4.120 -0.000 0.000 0.260 512 V C 0.687 176.727 176.094 -0.090 0.000 1.324 512 V CA 0.401 62.695 62.300 -0.010 0.000 1.068 512 V CB -0.004 31.812 31.823 -0.011 0.000 0.837 512 V HN 0.893 nan 8.190 nan 0.000 0.450 516 N N -0.477 118.143 118.700 -0.133 0.000 2.200 516 N HA 0.139 4.879 4.740 -0.000 0.000 0.224 516 N C -0.785 174.639 175.510 -0.142 0.000 1.179 516 N CA 0.141 53.057 53.050 -0.223 0.000 0.877 516 N CB 0.979 39.225 38.487 -0.402 0.000 1.072 516 N HN 0.490 nan 8.380 nan 0.000 0.519 517 H N 0.254 119.527 119.070 0.340 0.000 2.727 517 H HA 0.336 4.892 4.556 -0.000 0.000 0.330 517 H C -0.285 175.084 175.328 0.067 0.000 0.986 517 H CA -0.552 55.624 56.048 0.213 0.000 1.251 517 H CB 1.272 31.093 29.762 0.099 0.000 1.493 517 H HN -0.170 nan 8.280 nan 0.000 0.515 518 R N 2.104 122.561 120.500 -0.072 0.000 2.570 518 R HA 0.035 4.375 4.340 -0.000 0.000 0.277 518 R C -0.185 176.058 176.300 -0.094 0.000 1.039 518 R CA -0.011 55.908 56.100 -0.302 0.000 1.065 518 R CB 0.568 30.634 30.300 -0.390 0.000 0.964 518 R HN 0.639 nan 8.270 nan 0.000 0.428 519 E N 1.525 121.667 120.200 -0.097 0.000 2.417 519 E HA -0.048 4.302 4.350 -0.000 0.000 0.261 519 E C 0.873 177.439 176.600 -0.057 0.000 1.000 519 E CA -0.075 56.294 56.400 -0.052 0.000 0.919 519 E CB 0.980 30.644 29.700 -0.060 0.000 0.955 519 E HN 0.692 nan 8.360 nan 0.000 0.455 520 A N 3.370 126.176 122.820 -0.023 0.000 1.958 520 A HA -0.275 4.045 4.320 -0.000 0.000 0.221 520 A C 2.159 179.728 177.584 -0.025 0.000 1.178 520 A CA 2.421 54.454 52.037 -0.006 0.000 0.642 520 A CB -0.504 18.512 19.000 0.026 0.000 0.816 520 A HN 0.663 nan 8.150 nan 0.000 0.453 521 S N -0.665 114.984 115.700 -0.084 0.000 2.371 521 S HA -0.085 4.385 4.470 -0.000 0.000 0.219 521 S C 2.152 176.649 174.600 -0.172 0.000 1.040 521 S CA 1.322 59.429 58.200 -0.156 0.000 0.958 521 S CB -0.798 62.148 63.200 -0.423 0.000 0.860 521 S HN 0.921 nan 8.310 nan 0.000 0.487 522 S N 0.841 116.419 115.700 -0.204 0.000 2.425 522 S HA 0.386 4.856 4.470 -0.000 0.000 0.225 522 S C 1.853 176.409 174.600 -0.073 0.000 1.024 522 S CA 0.833 58.959 58.200 -0.122 0.000 0.951 522 S CB -0.903 62.232 63.200 -0.108 0.000 0.796 522 S HN 1.667 nan 8.310 nan 0.000 0.498 523 G N 0.241 108.987 108.800 -0.091 0.000 2.157 523 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 523 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 523 G C 0.098 174.899 174.900 -0.166 0.000 0.979 523 G CA -0.056 44.978 45.100 -0.111 0.000 0.650 523 G HN 0.736 nan 8.290 nan 0.000 0.529 524 C N 0.131 119.357 119.300 -0.123 0.000 2.365 524 C HA 0.741 5.201 4.460 -0.000 0.000 0.349 524 C C 0.607 175.520 174.990 -0.128 0.000 1.191 524 C CA -1.366 57.599 59.018 -0.088 0.000 2.114 524 C CB 0.342 28.112 27.740 0.050 0.000 2.367 524 C HN 0.299 nan 8.230 nan 0.000 0.530 525 Y N 0.507 120.845 120.300 0.064 0.000 2.326 525 Y HA 0.279 4.829 4.550 -0.000 0.000 0.333 525 Y C 1.301 177.192 175.900 -0.016 0.000 1.240 525 Y CA 0.445 58.551 58.100 0.010 0.000 1.365 525 Y CB 0.461 38.904 38.460 -0.029 0.000 1.289 525 Y HN 0.576 nan 8.280 nan 0.000 0.548 526 T N 2.981 117.591 114.554 0.092 0.000 2.749 526 T HA 0.624 4.974 4.350 -0.000 0.000 0.295 526 T C 0.023 174.610 174.700 -0.188 0.000 0.936 526 T CA -0.553 61.515 62.100 -0.054 0.000 1.060 526 T CB 0.394 69.238 68.868 -0.040 0.000 0.904 526 T HN 0.744 nan 8.240 nan 0.000 0.500 530 L N 1.485 122.892 121.223 0.305 0.000 2.362 530 L HA 0.707 5.047 4.340 -0.000 0.000 0.271 530 L C -0.996 175.923 176.870 0.081 0.000 1.002 530 L CA -0.997 53.949 54.840 0.176 0.000 0.818 530 L CB 1.928 43.912 42.059 -0.126 0.000 1.298 530 L HN 0.646 nan 8.230 nan 0.000 0.420 531 L N 5.892 127.014 121.223 -0.168 0.000 2.337 531 L HA 0.559 4.899 4.340 -0.000 0.000 0.269 531 L C -2.235 174.568 176.870 -0.111 0.000 1.018 531 L CA -2.029 52.550 54.840 -0.434 0.000 0.876 531 L CB 0.690 42.129 42.059 -1.033 0.000 1.236 531 L HN 0.240 nan 8.230 nan 0.000 0.436 535 D N 1.190 121.599 120.400 0.015 0.000 2.117 535 D HA 0.144 4.784 4.640 -0.000 0.000 0.198 535 D C 2.228 178.544 176.300 0.026 0.000 0.982 535 D CA 2.086 56.095 54.000 0.015 0.000 0.828 535 D CB -0.475 40.329 40.800 0.007 0.000 0.967 535 D HN 0.727 nan 8.370 nan 0.000 0.464 536 A N 0.422 123.261 122.820 0.032 0.000 1.877 536 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 536 A C 2.368 179.997 177.584 0.076 0.000 1.186 536 A CA 1.970 54.034 52.037 0.044 0.000 0.620 536 A CB -1.195 17.830 19.000 0.041 0.000 0.822 536 A HN 0.306 nan 8.150 nan 0.000 0.443 537 G N -0.325 108.540 108.800 0.107 0.000 2.422 537 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 537 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 537 G C 1.631 176.584 174.900 0.089 0.000 1.146 537 G CA 1.281 46.484 45.100 0.171 0.000 0.769 537 G HN 0.626 nan 8.290 nan 0.000 0.547 538 K N 0.074 120.508 120.400 0.056 0.000 2.057 538 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 538 K C 2.432 179.051 176.600 0.031 0.000 1.050 538 K CA 1.458 57.764 56.287 0.032 0.000 0.935 538 K CB -0.247 32.264 32.500 0.019 0.000 0.715 538 K HN 0.405 nan 8.250 nan 0.000 0.439 539 Q N 0.626 120.445 119.800 0.031 0.000 2.119 539 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 539 Q C 2.153 178.174 176.000 0.035 0.000 0.972 539 Q CA 1.055 56.874 55.803 0.027 0.000 0.847 539 Q CB 0.005 28.755 28.738 0.019 0.000 0.903 539 Q HN 0.450 nan 8.270 nan 0.000 0.433 540 L N -0.017 121.230 121.223 0.040 0.000 2.027 540 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 540 L C 2.318 179.206 176.870 0.030 0.000 1.074 540 L CA 1.364 56.225 54.840 0.035 0.000 0.745 540 L CB -0.535 41.545 42.059 0.036 0.000 0.898 540 L HN 0.343 nan 8.230 nan 0.000 0.433 541 A N 0.629 123.461 122.820 0.019 0.000 1.877 541 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 541 A C 2.014 179.654 177.584 0.092 0.000 1.186 541 A CA 1.746 53.801 52.037 0.030 0.000 0.620 541 A CB -0.582 18.425 19.000 0.011 0.000 0.822 541 A HN 0.721 nan 8.150 nan 0.000 0.443 542 E N -0.504 119.746 120.200 0.084 0.000 2.051 542 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 542 E C 2.148 178.851 176.600 0.171 0.000 0.991 542 E CA 1.260 57.736 56.400 0.127 0.000 0.799 542 E CB -0.321 29.424 29.700 0.075 0.000 0.748 542 E HN 0.445 nan 8.360 nan 0.000 0.449 543 R N 0.824 121.390 120.500 0.111 0.000 2.070 543 R HA -0.109 4.231 4.340 -0.000 0.000 0.233 543 R C 2.415 178.811 176.300 0.160 0.000 1.137 543 R CA 1.874 58.044 56.100 0.115 0.000 0.945 543 R CB -0.032 30.308 30.300 0.066 0.000 0.845 543 R HN 0.220 nan 8.270 nan 0.000 0.430 544 E N -0.843 119.429 120.200 0.120 0.000 2.110 544 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 544 E C 1.890 178.547 176.600 0.095 0.000 0.988 544 E CA 1.331 57.786 56.400 0.092 0.000 0.804 544 E CB -0.393 29.340 29.700 0.055 0.000 0.745 544 E HN 0.499 nan 8.360 nan 0.000 0.458 545 H N -0.280 118.826 119.070 0.060 0.000 2.353 545 H HA -0.162 4.394 4.556 -0.000 0.000 0.300 545 H C 1.960 177.325 175.328 0.063 0.000 1.090 545 H CA 1.783 57.861 56.048 0.049 0.000 1.327 545 H CB -0.334 29.476 29.762 0.078 0.000 1.383 545 H HN 0.209 nan 8.280 nan 0.000 0.508 546 Y N 1.047 121.351 120.300 0.006 0.000 2.181 546 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 546 Y C 2.878 178.726 175.900 -0.086 0.000 1.146 546 Y CA 1.953 60.030 58.100 -0.038 0.000 1.164 546 Y CB -0.240 38.236 38.460 0.028 0.000 0.982 546 Y HN 0.135 nan 8.280 nan 0.000 0.515 547 R N 0.072 120.594 120.500 0.037 0.000 2.083 547 R HA -0.211 4.129 4.340 -0.000 0.000 0.237 547 R C 2.203 178.400 176.300 -0.172 0.000 1.137 547 R CA 1.890 57.967 56.100 -0.039 0.000 0.951 547 R CB -0.733 29.587 30.300 0.033 0.000 0.851 547 R HN 0.485 nan 8.270 nan 0.000 0.434 548 L N 1.450 122.554 121.223 -0.198 0.000 2.127 548 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 548 L C 2.247 178.932 176.870 -0.308 0.000 1.089 548 L CA 1.720 56.408 54.840 -0.253 0.000 0.757 548 L CB -0.320 41.575 42.059 -0.274 0.000 0.899 548 L HN 0.137 nan 8.230 nan 0.000 0.434 549 R N -0.972 119.295 120.500 -0.388 0.000 2.115 549 R HA -0.060 4.280 4.340 -0.000 0.000 0.230 549 R C 2.236 178.347 176.300 -0.315 0.000 1.111 549 R CA 1.274 57.155 56.100 -0.364 0.000 0.976 549 R CB -0.209 29.846 30.300 -0.409 0.000 0.870 549 R HN 0.401 nan 8.270 nan 0.000 0.445 550 R N 0.020 120.313 120.500 -0.346 0.000 2.193 550 R HA -0.037 4.303 4.340 -0.000 0.000 0.213 550 R C 0.664 176.850 176.300 -0.190 0.000 1.055 550 R CA 0.802 56.743 56.100 -0.264 0.000 0.995 550 R CB 0.172 30.321 30.300 -0.251 0.000 0.893 550 R HN 0.173 nan 8.270 nan 0.000 0.459 551 D N 0.077 120.359 120.400 -0.196 0.000 2.379 551 D HA 0.131 4.771 4.640 -0.000 0.000 0.208 551 D C 1.547 177.740 176.300 -0.180 0.000 1.065 551 D CA 0.275 54.167 54.000 -0.179 0.000 0.848 551 D CB 0.325 41.013 40.800 -0.187 0.000 0.949 551 D HN 0.083 nan 8.370 nan 0.000 0.509 552 A N 1.139 123.845 122.820 -0.190 0.000 1.915 552 A HA -0.336 3.984 4.320 -0.000 0.000 0.220 552 A C 2.110 179.609 177.584 -0.141 0.000 1.198 552 A CA 2.143 54.073 52.037 -0.178 0.000 0.647 552 A CB -0.692 18.205 19.000 -0.172 0.000 0.825 552 A HN 0.296 nan 8.150 nan 0.000 0.456 553 Q N -0.895 118.834 119.800 -0.119 0.000 1.993 553 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 553 Q C 2.266 178.218 176.000 -0.081 0.000 0.984 553 Q CA 1.790 57.539 55.803 -0.089 0.000 0.837 553 Q CB -0.409 28.283 28.738 -0.076 0.000 0.902 553 Q HN 0.597 nan 8.270 nan 0.000 0.423 554 A N 0.461 123.228 122.820 -0.090 0.000 1.917 554 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 554 A C 1.970 179.518 177.584 -0.060 0.000 1.182 554 A CA 1.418 53.413 52.037 -0.072 0.000 0.633 554 A CB -0.728 18.206 19.000 -0.109 0.000 0.819 554 A HN 0.434 nan 8.150 nan 0.000 0.448 555 L N -0.510 120.640 121.223 -0.122 0.000 1.976 555 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 555 L C 3.047 179.847 176.870 -0.117 0.000 1.071 555 L CA 2.065 56.815 54.840 -0.151 0.000 0.746 555 L CB -1.180 40.742 42.059 -0.228 0.000 0.890 555 L HN 0.391 nan 8.230 nan 0.000 0.432 556 A N -1.251 121.494 122.820 -0.126 0.000 1.948 556 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 556 A C 2.175 179.720 177.584 -0.065 0.000 1.177 556 A CA 1.919 53.891 52.037 -0.108 0.000 0.636 556 A CB -0.548 18.397 19.000 -0.092 0.000 0.815 556 A HN 0.623 nan 8.150 nan 0.000 0.449 557 Q N -2.049 117.731 119.800 -0.035 0.000 2.172 557 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 557 Q C 2.036 178.030 176.000 -0.011 0.000 0.964 557 Q CA 1.098 56.887 55.803 -0.022 0.000 0.855 557 Q CB -0.188 28.544 28.738 -0.011 0.000 0.918 557 Q HN 0.949 nan 8.270 nan 0.000 0.444 558 W N 1.672 122.881 121.300 -0.153 0.000 2.453 558 W HA -0.019 4.641 4.660 -0.000 0.000 0.289 558 W C 0.951 177.365 176.519 -0.175 0.000 1.215 558 W CA 0.931 58.181 57.345 -0.159 0.000 1.297 558 W CB 0.105 29.451 29.460 -0.190 0.000 1.113 558 W HN 0.171 nan 8.180 nan 0.000 0.551 559 N N -0.266 118.417 118.700 -0.028 0.000 2.395 559 N HA 0.025 4.765 4.740 -0.000 0.000 0.175 559 N C 1.560 177.058 175.510 -0.021 0.000 1.029 559 N CA 1.760 54.706 53.050 -0.173 0.000 0.897 559 N CB -0.396 37.655 38.487 -0.726 0.000 0.991 559 N HN 0.184 nan 8.380 nan 0.000 0.441 560 G N 0.689 109.461 108.800 -0.046 0.000 2.132 560 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.234 560 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.234 560 G C -0.409 174.509 174.900 0.029 0.000 0.989 560 G CA -0.137 44.959 45.100 -0.006 0.000 0.676 560 G HN 0.384 nan 8.290 nan 0.000 0.522 561 E N 0.456 120.658 120.200 0.004 0.000 2.304 561 E HA 0.421 4.771 4.350 -0.000 0.000 0.277 561 E C 0.084 176.661 176.600 -0.039 0.000 0.898 561 E CA -0.324 56.092 56.400 0.028 0.000 0.764 561 E CB 1.607 31.377 29.700 0.116 0.000 1.216 561 E HN 0.377 nan 8.360 nan 0.000 0.419 562 T N 0.032 114.577 114.554 -0.016 0.000 2.913 562 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 562 T C 0.155 174.804 174.700 -0.084 0.000 1.029 562 T CA -0.718 61.354 62.100 -0.047 0.000 1.104 562 T CB 0.448 69.309 68.868 -0.012 0.000 0.964 562 T HN 0.079 nan 8.240 nan 0.000 0.532 563 L N 3.980 125.118 121.223 -0.142 0.000 2.350 563 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 563 L C -1.446 175.360 176.870 -0.107 0.000 1.099 563 L CA -2.276 52.430 54.840 -0.223 0.000 0.808 563 L CB 0.359 42.258 42.059 -0.267 0.000 1.149 563 L HN 0.589 nan 8.230 nan 0.000 0.442 564 P HA 0.128 nan 4.420 nan 0.000 0.220 564 P C -0.741 176.635 177.300 0.127 0.000 1.778 564 P CA 0.100 63.267 63.100 0.112 0.000 0.912 564 P CB 0.102 31.992 31.700 0.317 0.000 1.861 565 V N -2.440 117.496 119.914 0.036 0.000 3.130 565 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 565 V C -1.111 174.988 176.094 0.008 0.000 1.158 565 V CA -1.034 61.294 62.300 0.046 0.000 1.029 565 V CB 2.722 34.498 31.823 -0.078 0.000 1.057 565 V HN -0.160 nan 8.190 nan 0.000 0.436 566 D N 4.285 124.697 120.400 0.019 0.000 2.380 566 D HA 0.365 5.005 4.640 -0.000 0.000 0.230 566 D C -2.476 173.788 176.300 -0.061 0.000 1.154 566 D CA -0.890 53.109 54.000 -0.002 0.000 0.859 566 D CB 1.531 42.350 40.800 0.031 0.000 1.045 566 D HN 0.623 nan 8.370 nan 0.000 0.495 567 P HA 0.059 nan 4.420 nan 0.000 0.268 567 P C -0.399 176.839 177.300 -0.104 0.000 1.205 567 P CA -0.116 62.919 63.100 -0.108 0.000 0.771 567 P CB 1.119 32.765 31.700 -0.090 0.000 0.858 568 L N 3.834 124.969 121.223 -0.146 0.000 2.294 568 L HA 0.307 4.647 4.340 -0.000 0.000 0.283 568 L C 1.040 177.844 176.870 -0.110 0.000 1.015 568 L CA -0.487 54.274 54.840 -0.132 0.000 0.831 568 L CB 0.872 42.805 42.059 -0.210 0.000 1.217 568 L HN 0.234 nan 8.230 nan 0.000 0.420 569 N N 1.135 119.792 118.700 -0.072 0.000 2.322 569 N HA -0.041 4.699 4.740 -0.000 0.000 0.194 569 N C 0.203 175.686 175.510 -0.045 0.000 1.126 569 N CA 0.036 53.050 53.050 -0.061 0.000 0.845 569 N CB 0.111 38.569 38.487 -0.048 0.000 0.976 569 N HN 0.646 nan 8.380 nan 0.000 0.475 570 D N 0.621 121.000 120.400 -0.036 0.000 2.520 570 D HA -0.061 4.579 4.640 -0.000 0.000 0.243 570 D C 0.452 176.741 176.300 -0.020 0.000 1.160 570 D CA -0.039 53.952 54.000 -0.016 0.000 0.877 570 D CB 0.984 41.787 40.800 0.004 0.000 1.150 570 D HN 0.051 nan 8.370 nan 0.000 0.494 571 A N 3.916 126.727 122.820 -0.016 0.000 2.278 571 A HA 0.130 4.450 4.320 -0.000 0.000 0.212 571 A C 0.942 178.524 177.584 -0.004 0.000 1.213 571 A CA -0.412 51.613 52.037 -0.021 0.000 0.840 571 A CB 0.118 19.104 19.000 -0.024 0.000 0.866 571 A HN 0.501 nan 8.150 nan 0.000 0.489 572 V N 0.993 120.916 119.914 0.016 0.000 2.715 572 V HA 0.102 4.222 4.120 -0.000 0.000 0.299 572 V C 0.018 176.147 176.094 0.059 0.000 1.054 572 V CA -0.431 61.894 62.300 0.042 0.000 1.077 572 V CB 0.938 32.791 31.823 0.051 0.000 0.972 572 V HN 0.374 nan 8.190 nan 0.000 0.484 573 L N 5.971 127.251 121.223 0.094 0.000 2.369 573 L HA 0.236 4.576 4.340 -0.000 0.000 0.279 573 L C 0.651 177.650 176.870 0.215 0.000 1.108 573 L CA 1.006 55.931 54.840 0.141 0.000 0.852 573 L CB 0.637 42.816 42.059 0.199 0.000 1.169 573 L HN 0.832 nan 8.230 nan 0.000 0.452 574 S N 2.307 118.118 115.700 0.185 0.000 2.645 574 S HA 0.151 4.621 4.470 -0.000 0.000 0.266 574 S C 0.925 175.682 174.600 0.263 0.000 1.258 574 S CA -0.454 57.857 58.200 0.185 0.000 0.990 574 S CB 0.687 63.979 63.200 0.152 0.000 0.967 574 S HN 0.658 nan 8.310 nan 0.000 0.556 575 D N 0.779 121.283 120.400 0.174 0.000 2.224 575 D HA -0.000 4.640 4.640 -0.000 0.000 0.205 575 D C 1.231 177.653 176.300 0.204 0.000 0.965 575 D CA 0.930 55.025 54.000 0.158 0.000 0.852 575 D CB -0.166 40.668 40.800 0.056 0.000 0.947 575 D HN 0.543 nan 8.370 nan 0.000 0.494 576 D N 0.591 121.093 120.400 0.171 0.000 2.183 576 D HA -0.106 4.534 4.640 -0.000 0.000 0.203 576 D C 1.375 177.789 176.300 0.191 0.000 0.969 576 D CA 0.688 54.790 54.000 0.170 0.000 0.842 576 D CB -0.014 40.873 40.800 0.144 0.000 0.957 576 D HN 0.162 nan 8.370 nan 0.000 0.484 577 D N -0.020 120.485 120.400 0.175 0.000 2.097 577 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 577 D C 1.931 178.288 176.300 0.095 0.000 0.989 577 D CA 0.669 54.727 54.000 0.097 0.000 0.827 577 D CB -0.460 40.368 40.800 0.046 0.000 0.966 577 D HN 0.313 nan 8.370 nan 0.000 0.456 578 W N 0.801 122.127 121.300 0.044 0.000 2.342 578 W HA -0.098 4.562 4.660 -0.000 0.000 0.297 578 W C 2.268 178.839 176.519 0.086 0.000 1.213 578 W CA 0.433 57.804 57.345 0.044 0.000 1.251 578 W CB -0.618 28.860 29.460 0.030 0.000 1.136 578 W HN 0.011 nan 8.180 nan 0.000 0.526 579 L N 0.483 121.912 121.223 0.344 0.000 2.027 579 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 579 L C 2.179 179.303 176.870 0.423 0.000 1.074 579 L CA 2.038 57.078 54.840 0.333 0.000 0.745 579 L CB -0.988 41.234 42.059 0.272 0.000 0.898 579 L HN -0.226 nan 8.230 nan 0.000 0.433 580 E N -0.461 119.943 120.200 0.340 0.000 2.058 580 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 580 E C 2.108 178.757 176.600 0.081 0.000 0.997 580 E CA 1.196 57.734 56.400 0.229 0.000 0.801 580 E CB -0.599 29.160 29.700 0.098 0.000 0.746 580 E HN 0.248 nan 8.360 nan 0.000 0.450 581 L N 0.361 121.585 121.223 0.003 0.000 2.043 581 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 581 L C 2.160 178.984 176.870 -0.078 0.000 1.075 581 L CA 2.084 56.858 54.840 -0.109 0.000 0.752 581 L CB -1.380 40.507 42.059 -0.287 0.000 0.891 581 L HN 0.141 nan 8.230 nan 0.000 0.432 582 A N -0.936 121.900 122.820 0.027 0.000 1.969 582 A HA -0.053 4.267 4.320 -0.000 0.000 0.218 582 A C 2.393 180.030 177.584 0.088 0.000 1.169 582 A CA 1.439 53.519 52.037 0.072 0.000 0.635 582 A CB -1.155 18.048 19.000 0.339 0.000 0.810 582 A HN 0.449 nan 8.150 nan 0.000 0.445 583 G N -1.491 107.420 108.800 0.185 0.000 2.432 583 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.219 583 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.219 583 G C 1.399 176.205 174.900 -0.157 0.000 1.135 583 G CA 1.133 46.257 45.100 0.041 0.000 0.767 583 G HN 0.534 nan 8.290 nan 0.000 0.550 584 F N 1.909 121.694 119.950 -0.274 0.000 2.270 584 F HA 0.352 4.879 4.527 -0.000 0.000 0.295 584 F C 2.612 178.205 175.800 -0.344 0.000 1.087 584 F CA 1.038 58.859 58.000 -0.299 0.000 1.365 584 F CB -0.001 38.836 39.000 -0.271 0.000 1.056 584 F HN 0.184 nan 8.300 nan 0.000 0.506 585 A N -0.354 122.203 122.820 -0.439 0.000 1.897 585 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 585 A C 1.327 178.413 177.584 -0.831 0.000 1.181 585 A CA 1.393 52.952 52.037 -0.796 0.000 0.620 585 A CB -1.005 17.282 19.000 -1.189 0.000 0.821 585 A HN 0.400 nan 8.150 nan 0.000 0.443 586 F N -1.622 118.254 119.950 -0.123 0.000 2.661 586 F HA 0.656 5.183 4.527 -0.000 0.000 0.306 586 F C 0.910 176.654 175.800 -0.092 0.000 1.094 586 F CA -0.156 57.797 58.000 -0.079 0.000 1.254 586 F CB -0.050 38.948 39.000 -0.003 0.000 1.040 586 F HN 0.297 nan 8.300 nan 0.000 0.562 587 A N -0.980 121.745 122.820 -0.159 0.000 3.005 587 A HA 0.594 4.914 4.320 -0.000 0.000 0.282 587 A C -0.400 176.791 177.584 -0.655 0.000 1.218 587 A CA -0.456 51.351 52.037 -0.384 0.000 0.703 587 A CB 0.658 19.442 19.000 -0.360 0.000 1.387 587 A HN 0.230 nan 8.150 nan 0.000 0.592 588 H N 0.845 119.607 119.070 -0.514 0.000 2.505 588 H HA 0.234 4.789 4.556 -0.000 0.000 0.260 588 H C -0.423 174.716 175.328 -0.315 0.000 1.168 588 H CA -0.271 55.561 56.048 -0.361 0.000 0.945 588 H CB 0.146 29.743 29.762 -0.275 0.000 1.800 588 H HN 0.362 nan 8.280 nan 0.000 0.586 589 R N 1.820 122.164 120.500 -0.260 0.000 2.537 589 R HA 0.143 4.483 4.340 -0.000 0.000 0.280 589 R C -2.457 173.831 176.300 -0.020 0.000 1.058 589 R CA -1.492 54.482 56.100 -0.210 0.000 1.057 589 R CB 0.088 30.219 30.300 -0.281 0.000 0.973 589 R HN 0.133 nan 8.270 nan 0.000 0.438 590 P HA -0.052 nan 4.420 nan 0.000 0.272 590 P C 0.535 177.891 177.300 0.092 0.000 1.230 590 P CA -0.286 62.849 63.100 0.058 0.000 0.788 590 P CB 0.559 32.283 31.700 0.040 0.000 0.949 591 L N 2.831 124.118 121.223 0.108 0.000 1.970 591 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 591 L C 1.841 178.534 176.870 -0.294 0.000 1.071 591 L CA 2.116 56.919 54.840 -0.062 0.000 0.751 591 L CB -1.274 40.775 42.059 -0.017 0.000 0.889 591 L HN 0.234 nan 8.230 nan 0.000 0.432 592 L N -0.572 120.468 121.223 -0.305 0.000 2.187 592 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 592 L C 2.445 179.094 176.870 -0.368 0.000 1.100 592 L CA 1.909 56.463 54.840 -0.477 0.000 0.765 592 L CB -1.453 40.331 42.059 -0.459 0.000 0.904 592 L HN 0.329 nan 8.230 nan 0.000 0.437 593 T N -1.908 112.510 114.554 -0.227 0.000 2.904 593 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 593 T C 1.697 176.272 174.700 -0.208 0.000 1.059 593 T CA 1.366 63.368 62.100 -0.164 0.000 1.137 593 T CB -0.006 68.849 68.868 -0.022 0.000 0.879 593 T HN 0.250 nan 8.240 nan 0.000 0.467 594 S N 0.951 116.490 115.700 -0.269 0.000 2.572 594 S HA 0.233 4.703 4.470 -0.000 0.000 0.228 594 S C 1.476 175.840 174.600 -0.394 0.000 0.963 594 S CA -0.328 57.673 58.200 -0.333 0.000 0.939 594 S CB 0.034 62.960 63.200 -0.456 0.000 0.804 594 S HN 0.210 nan 8.310 nan 0.000 0.480 595 L N 2.903 123.887 121.223 -0.397 0.000 1.990 595 L HA -0.095 4.245 4.340 -0.000 0.000 0.213 595 L C 2.192 178.882 176.870 -0.301 0.000 1.072 595 L CA 2.324 56.919 54.840 -0.408 0.000 0.755 595 L CB -1.335 40.430 42.059 -0.490 0.000 0.889 595 L HN 0.340 nan 8.230 nan 0.000 0.432 596 G N -0.851 107.796 108.800 -0.256 0.000 2.511 596 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.216 596 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.216 596 G C 1.783 176.572 174.900 -0.185 0.000 1.218 596 G CA 1.572 46.553 45.100 -0.198 0.000 0.788 596 G HN 0.741 nan 8.290 nan 0.000 0.560 597 C N -0.359 118.829 119.300 -0.187 0.000 2.411 597 C HA 0.126 4.586 4.460 -0.000 0.000 0.279 597 C C 2.614 177.465 174.990 -0.233 0.000 1.288 597 C CA 0.485 59.395 59.018 -0.180 0.000 1.764 597 C CB -1.285 26.360 27.740 -0.158 0.000 1.974 597 C HN 0.196 nan 8.230 nan 0.000 0.498 598 L N 0.154 121.200 121.223 -0.295 0.000 2.056 598 L HA 0.081 4.421 4.340 -0.000 0.000 0.207 598 L C 2.554 179.283 176.870 -0.234 0.000 1.078 598 L CA 1.491 56.133 54.840 -0.330 0.000 0.749 598 L CB -1.184 40.597 42.059 -0.464 0.000 0.901 598 L HN 0.230 nan 8.230 nan 0.000 0.433 599 L N -1.000 120.104 121.223 -0.198 0.000 2.046 599 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 599 L C 2.687 179.486 176.870 -0.119 0.000 1.077 599 L CA 1.497 56.254 54.840 -0.138 0.000 0.747 599 L CB -0.653 41.336 42.059 -0.117 0.000 0.896 599 L HN 0.150 nan 8.230 nan 0.000 0.432 600 R N -1.261 119.163 120.500 -0.126 0.000 2.096 600 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 600 R C 2.070 178.304 176.300 -0.110 0.000 1.127 600 R CA 1.068 57.108 56.100 -0.100 0.000 0.968 600 R CB -0.525 29.720 30.300 -0.092 0.000 0.861 600 R HN 0.204 nan 8.270 nan 0.000 0.440 601 L N 0.037 121.165 121.223 -0.158 0.000 2.093 601 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 601 L C 1.513 178.307 176.870 -0.126 0.000 1.085 601 L CA 1.655 56.388 54.840 -0.178 0.000 0.755 601 L CB -0.394 41.516 42.059 -0.249 0.000 0.904 601 L HN 0.123 nan 8.230 nan 0.000 0.435 602 L N -0.635 120.519 121.223 -0.115 0.000 2.093 602 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 602 L C 2.608 179.445 176.870 -0.056 0.000 1.085 602 L CA 1.550 56.341 54.840 -0.081 0.000 0.755 602 L CB -0.946 41.065 42.059 -0.079 0.000 0.904 602 L HN 0.412 nan 8.230 nan 0.000 0.435 603 Q N -1.785 117.983 119.800 -0.055 0.000 2.170 603 Q HA -0.200 4.140 4.340 -0.000 0.000 0.203 603 Q C 2.099 178.084 176.000 -0.024 0.000 0.976 603 Q CA 1.879 57.660 55.803 -0.036 0.000 0.858 603 Q CB -0.119 28.598 28.738 -0.035 0.000 0.907 603 Q HN 0.511 nan 8.270 nan 0.000 0.433 604 T N -1.112 113.425 114.554 -0.028 0.000 3.044 604 T HA 0.027 4.377 4.350 -0.000 0.000 0.255 604 T C 0.862 175.558 174.700 -0.006 0.000 1.073 604 T CA 0.071 62.166 62.100 -0.009 0.000 1.125 604 T CB 0.184 69.054 68.868 0.003 0.000 0.908 604 T HN 0.047 nan 8.240 nan 0.000 0.480 605 S N 0.887 116.572 115.700 -0.025 0.000 2.549 605 S HA 0.163 4.633 4.470 -0.000 0.000 0.279 605 S C 0.725 175.322 174.600 -0.005 0.000 1.321 605 S CA -0.327 57.863 58.200 -0.017 0.000 1.054 605 S CB 0.670 63.846 63.200 -0.039 0.000 0.899 605 S HN 0.532 nan 8.310 nan 0.000 0.497 606 E N 2.697 122.902 120.200 0.009 0.000 2.474 606 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 606 E C -0.482 176.125 176.600 0.012 0.000 1.039 606 E CA -0.223 56.184 56.400 0.011 0.000 0.881 606 E CB 0.209 29.921 29.700 0.019 0.000 0.970 606 E HN 0.371 nan 8.360 nan 0.000 0.486 607 L N 0.370 121.600 121.223 0.011 0.000 2.439 607 L HA 0.157 4.497 4.340 -0.000 0.000 0.261 607 L C 1.400 178.274 176.870 0.006 0.000 1.153 607 L CA 0.302 55.150 54.840 0.013 0.000 0.808 607 L CB 0.730 42.801 42.059 0.020 0.000 1.126 607 L HN -0.043 nan 8.230 nan 0.000 0.460 608 A N 2.617 125.442 122.820 0.009 0.000 1.858 608 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 608 A C 1.009 178.595 177.584 0.003 0.000 1.190 608 A CA 1.031 53.072 52.037 0.006 0.000 0.617 608 A CB -0.859 18.146 19.000 0.008 0.000 0.827 608 A HN 0.731 nan 8.150 nan 0.000 0.443 609 L N -0.997 120.229 121.223 0.006 0.000 3.879 609 L HA -0.182 4.158 4.340 -0.000 0.000 0.481 609 L C -1.390 175.483 176.870 0.005 0.000 1.232 609 L CA -0.057 54.785 54.840 0.005 0.000 0.736 609 L CB -1.679 40.375 42.059 -0.008 0.000 1.511 609 L HN 0.364 nan 8.230 nan 0.000 0.830 610 P HA -0.263 nan 4.420 nan 0.000 0.215 610 P C 1.534 178.843 177.300 0.015 0.000 1.153 610 P CA 2.110 65.216 63.100 0.010 0.000 0.853 610 P CB 0.231 31.938 31.700 0.012 0.000 0.788 611 A N -0.525 122.307 122.820 0.021 0.000 1.902 611 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 611 A C 2.273 179.875 177.584 0.030 0.000 1.181 611 A CA 1.367 53.422 52.037 0.029 0.000 0.623 611 A CB -1.475 17.547 19.000 0.036 0.000 0.818 611 A HN 0.094 nan 8.150 nan 0.000 0.443 612 L N -0.404 120.830 121.223 0.018 0.000 2.044 612 L HA -0.007 4.333 4.340 -0.000 0.000 0.205 612 L C 2.593 179.457 176.870 -0.010 0.000 1.075 612 L CA 1.622 56.459 54.840 -0.005 0.000 0.747 612 L CB -0.804 41.237 42.059 -0.029 0.000 0.903 612 L HN 0.324 nan 8.230 nan 0.000 0.435 613 R N -1.008 119.487 120.500 -0.008 0.000 2.081 613 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 613 R C 2.147 178.452 176.300 0.008 0.000 1.131 613 R CA 1.186 57.282 56.100 -0.006 0.000 0.960 613 R CB -0.931 29.364 30.300 -0.008 0.000 0.856 613 R HN 0.490 nan 8.270 nan 0.000 0.436 614 G N 0.959 109.767 108.800 0.013 0.000 2.469 614 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.220 614 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.220 614 G C 1.584 176.503 174.900 0.031 0.000 1.136 614 G CA 0.995 46.106 45.100 0.018 0.000 0.759 614 G HN 0.234 nan 8.290 nan 0.000 0.562 615 R N -0.457 120.074 120.500 0.051 0.000 2.075 615 R HA 0.251 4.591 4.340 -0.000 0.000 0.220 615 R C 2.365 178.757 176.300 0.153 0.000 1.118 615 R CA 0.620 56.780 56.100 0.099 0.000 0.986 615 R CB -0.325 30.045 30.300 0.118 0.000 0.884 615 R HN 0.336 nan 8.270 nan 0.000 0.439 616 L N -0.100 121.186 121.223 0.104 0.000 2.249 616 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 616 L C 2.236 179.149 176.870 0.072 0.000 1.090 616 L CA 1.046 55.956 54.840 0.115 0.000 0.802 616 L CB -0.178 41.876 42.059 -0.008 0.000 0.947 616 L HN 0.140 nan 8.230 nan 0.000 0.453 617 Q N -0.117 119.700 119.800 0.029 0.000 2.259 617 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 617 Q C 1.635 177.637 176.000 0.003 0.000 0.938 617 Q CA 0.670 56.480 55.803 0.011 0.000 0.872 617 Q CB 0.277 29.012 28.738 -0.004 0.000 0.971 617 Q HN 0.402 nan 8.270 nan 0.000 0.494 618 K N 0.306 120.708 120.400 0.002 0.000 2.367 618 K HA 0.093 4.413 4.320 -0.000 0.000 0.194 618 K C 0.064 176.648 176.600 -0.026 0.000 1.027 618 K CA 0.137 56.417 56.287 -0.012 0.000 1.075 618 K CB 0.277 32.772 32.500 -0.008 0.000 0.845 618 K HN 0.062 nan 8.250 nan 0.000 0.529 619 N N 0.627 119.313 118.700 -0.023 0.000 2.735 619 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 619 N C -0.742 174.736 175.510 -0.054 0.000 1.083 619 N CA 0.537 53.544 53.050 -0.071 0.000 0.703 619 N CB -0.882 37.521 38.487 -0.140 0.000 1.005 619 N HN 0.394 nan 8.380 nan 0.000 0.550 620 A N -0.178 122.634 122.820 -0.014 0.000 2.366 620 A HA 0.560 4.880 4.320 -0.000 0.000 0.249 620 A C 0.812 178.398 177.584 0.003 0.000 1.084 620 A CA 0.249 52.282 52.037 -0.007 0.000 0.794 620 A CB 0.360 19.363 19.000 0.006 0.000 1.034 620 A HN 0.823 nan 8.150 nan 0.000 0.491 621 S N 0.242 115.944 115.700 0.003 0.000 2.632 621 S HA 0.262 4.732 4.470 -0.000 0.000 0.271 621 S C 0.184 174.803 174.600 0.032 0.000 1.260 621 S CA -0.231 57.978 58.200 0.015 0.000 1.010 621 S CB 1.019 64.224 63.200 0.007 0.000 0.965 621 S HN 0.580 nan 8.310 nan 0.000 0.534 622 D N 1.795 122.223 120.400 0.046 0.000 2.123 622 D HA -0.071 4.569 4.640 -0.000 0.000 0.196 622 D C 2.239 178.562 176.300 0.037 0.000 0.992 622 D CA 1.941 55.971 54.000 0.050 0.000 0.833 622 D CB -0.865 39.971 40.800 0.060 0.000 0.954 622 D HN 0.733 nan 8.370 nan 0.000 0.455 623 A N 0.473 123.312 122.820 0.032 0.000 1.908 623 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 623 A C 2.183 179.780 177.584 0.021 0.000 1.181 623 A CA 2.073 54.125 52.037 0.025 0.000 0.627 623 A CB -0.774 18.239 19.000 0.022 0.000 0.818 623 A HN 0.190 nan 8.150 nan 0.000 0.445 624 Q N -0.923 118.888 119.800 0.018 0.000 2.030 624 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 624 Q C 1.952 177.962 176.000 0.017 0.000 0.986 624 Q CA 1.614 57.425 55.803 0.014 0.000 0.843 624 Q CB -0.255 28.489 28.738 0.010 0.000 0.904 624 Q HN 0.497 nan 8.270 nan 0.000 0.420 625 L N -0.284 120.953 121.223 0.022 0.000 2.083 625 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 625 L C 2.442 179.326 176.870 0.023 0.000 1.083 625 L CA 1.325 56.179 54.840 0.024 0.000 0.752 625 L CB -1.668 40.411 42.059 0.033 0.000 0.899 625 L HN 0.457 nan 8.230 nan 0.000 0.433 626 C N -0.731 118.584 119.300 0.025 0.000 2.429 626 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 626 C C 3.041 178.042 174.990 0.019 0.000 1.262 626 C CA 1.407 60.439 59.018 0.023 0.000 1.733 626 C CB -1.114 26.641 27.740 0.025 0.000 2.010 626 C HN 0.684 nan 8.230 nan 0.000 0.483 627 T N -0.857 113.707 114.554 0.017 0.000 2.770 627 T HA -0.193 4.157 4.350 -0.000 0.000 0.263 627 T C 1.852 176.560 174.700 0.013 0.000 1.039 627 T CA 2.654 64.763 62.100 0.014 0.000 1.142 627 T CB -0.826 68.050 68.868 0.013 0.000 0.868 627 T HN 0.555 nan 8.240 nan 0.000 0.435 628 T N 0.757 115.319 114.554 0.013 0.000 2.746 628 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 628 T C 1.840 176.547 174.700 0.012 0.000 1.039 628 T CA 1.038 63.145 62.100 0.012 0.000 1.142 628 T CB -0.463 68.412 68.868 0.011 0.000 0.866 628 T HN 0.257 nan 8.240 nan 0.000 0.444 629 L N 0.483 121.715 121.223 0.015 0.000 2.492 629 L HA 0.343 4.683 4.340 -0.000 0.000 0.223 629 L C 1.170 178.049 176.870 0.015 0.000 1.132 629 L CA 1.186 56.035 54.840 0.015 0.000 0.850 629 L CB -1.040 41.029 42.059 0.018 0.000 0.966 629 L HN 0.490 nan 8.230 nan 0.000 0.454 630 K N 0.208 120.616 120.400 0.015 0.000 3.181 630 K HA -0.165 4.154 4.320 -0.000 0.000 0.269 630 K C -0.468 176.142 176.600 0.015 0.000 1.097 630 K CA 0.210 56.505 56.287 0.014 0.000 0.783 630 K CB -1.661 30.846 32.500 0.012 0.000 1.267 630 K HN 0.205 nan 8.250 nan 0.000 0.484 631 L N 0.311 121.544 121.223 0.017 0.000 2.331 631 L HA 0.250 4.590 4.340 -0.000 0.000 0.275 631 L C 1.583 178.465 176.870 0.019 0.000 1.022 631 L CA -0.462 54.389 54.840 0.019 0.000 0.812 631 L CB 1.714 43.785 42.059 0.021 0.000 1.257 631 L HN 0.224 nan 8.230 nan 0.000 0.435 632 S N 0.090 115.802 115.700 0.019 0.000 2.727 632 S HA 0.327 4.797 4.470 -0.000 0.000 0.226 632 S C 0.624 175.237 174.600 0.022 0.000 0.963 632 S CA 0.115 58.327 58.200 0.019 0.000 0.950 632 S CB -0.521 62.690 63.200 0.018 0.000 0.779 632 S HN 1.060 nan 8.310 nan 0.000 0.532 633 G N 0.702 109.516 108.800 0.024 0.000 2.340 633 G HA2 0.038 3.998 3.960 -0.000 0.000 0.527 633 G HA3 0.038 3.998 3.960 -0.000 0.000 0.527 633 G C 0.046 174.964 174.900 0.031 0.000 1.381 633 G CA -0.678 44.438 45.100 0.027 0.000 1.001 633 G HN 0.068 nan 8.290 nan 0.000 0.626 634 R N 0.158 120.679 120.500 0.035 0.000 2.178 634 R HA -0.198 4.142 4.340 -0.000 0.000 0.257 634 R C 1.382 177.704 176.300 0.038 0.000 1.163 634 R CA 2.062 58.187 56.100 0.041 0.000 0.981 634 R CB -0.474 29.853 30.300 0.045 0.000 0.878 634 R HN 0.600 nan 8.270 nan 0.000 0.454 638 L N 0.948 122.190 121.223 0.033 0.000 2.081 638 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 638 L C 2.156 179.001 176.870 -0.043 0.000 1.080 638 L CA 2.667 57.520 54.840 0.021 0.000 0.754 638 L CB -0.802 41.269 42.059 0.020 0.000 0.893 638 L HN 0.232 nan 8.230 nan 0.000 0.433 639 V N -0.337 119.557 119.914 -0.035 0.000 2.343 639 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 639 V C 2.758 178.821 176.094 -0.051 0.000 1.051 639 V CA 1.862 64.126 62.300 -0.060 0.000 1.036 639 V CB -0.829 30.982 31.823 -0.020 0.000 0.654 639 V HN 0.482 nan 8.190 nan 0.000 0.451 640 R N 0.640 121.134 120.500 -0.012 0.000 2.073 640 R HA -0.169 4.171 4.340 -0.000 0.000 0.234 640 R C 2.287 178.597 176.300 0.015 0.000 1.134 640 R CA 1.828 57.931 56.100 0.005 0.000 0.952 640 R CB -0.674 29.638 30.300 0.019 0.000 0.850 640 R HN 0.607 nan 8.270 nan 0.000 0.433 641 Q N -0.390 119.435 119.800 0.042 0.000 2.096 641 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 641 Q C 2.248 178.332 176.000 0.139 0.000 0.982 641 Q CA 1.972 57.849 55.803 0.123 0.000 0.850 641 Q CB -0.148 28.721 28.738 0.218 0.000 0.901 641 Q HN 0.330 nan 8.270 nan 0.000 0.422 642 R N 0.507 120.935 120.500 -0.120 0.000 2.092 642 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 642 R C 2.093 178.288 176.300 -0.174 0.000 1.119 642 R CA 1.243 57.106 56.100 -0.396 0.000 0.970 642 R CB -0.077 29.851 30.300 -0.620 0.000 0.864 642 R HN 0.373 nan 8.270 nan 0.000 0.440 643 E N 0.716 120.866 120.200 -0.083 0.000 2.077 643 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 643 E C 1.898 178.510 176.600 0.021 0.000 0.989 643 E CA 1.178 57.570 56.400 -0.013 0.000 0.800 643 E CB -0.008 29.697 29.700 0.009 0.000 0.746 643 E HN 0.446 nan 8.360 nan 0.000 0.452 644 E N 0.877 121.093 120.200 0.027 0.000 2.077 644 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 644 E C 2.176 178.791 176.600 0.024 0.000 0.989 644 E CA 0.933 57.355 56.400 0.036 0.000 0.800 644 E CB -0.185 29.537 29.700 0.036 0.000 0.746 644 E HN 0.218 nan 8.360 nan 0.000 0.452 645 A N 1.696 124.535 122.820 0.033 0.000 1.908 645 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 645 A C 2.424 179.942 177.584 -0.109 0.000 1.181 645 A CA 1.827 53.853 52.037 -0.018 0.000 0.627 645 A CB -0.648 18.435 19.000 0.137 0.000 0.818 645 A HN 0.300 nan 8.150 nan 0.000 0.445 646 A N -0.929 121.821 122.820 -0.117 0.000 1.902 646 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 646 A C 2.124 179.840 177.584 0.219 0.000 1.181 646 A CA 1.744 53.746 52.037 -0.058 0.000 0.623 646 A CB -0.558 18.505 19.000 0.105 0.000 0.818 646 A HN 0.625 nan 8.150 nan 0.000 0.443 647 Q N -0.573 119.354 119.800 0.212 0.000 2.050 647 Q HA -0.092 4.248 4.340 -0.000 0.000 0.202 647 Q C 2.444 178.553 176.000 0.182 0.000 0.980 647 Q CA 1.605 57.557 55.803 0.249 0.000 0.840 647 Q CB -0.434 28.384 28.738 0.135 0.000 0.898 647 Q HN 0.681 nan 8.270 nan 0.000 0.424 648 A N 0.491 123.350 122.820 0.066 0.000 1.865 648 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 648 A C 1.994 179.575 177.584 -0.006 0.000 1.191 648 A CA 1.391 53.434 52.037 0.010 0.000 0.623 648 A CB -0.781 18.182 19.000 -0.061 0.000 0.826 648 A HN 0.295 nan 8.150 nan 0.000 0.444 649 L N -1.721 119.444 121.223 -0.098 0.000 2.042 649 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 649 L C 2.350 179.249 176.870 0.049 0.000 1.076 649 L CA 1.739 56.471 54.840 -0.181 0.000 0.749 649 L CB -1.050 40.822 42.059 -0.312 0.000 0.893 649 L HN 0.419 nan 8.230 nan 0.000 0.432 650 F N -0.645 119.399 119.950 0.156 0.000 2.134 650 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 650 F C 2.442 178.323 175.800 0.135 0.000 1.097 650 F CA 1.250 59.349 58.000 0.165 0.000 1.264 650 F CB -1.053 38.026 39.000 0.131 0.000 1.001 650 F HN 0.097 nan 8.300 nan 0.000 0.479 651 A N -0.706 122.285 122.820 0.284 0.000 1.972 651 A HA -0.113 4.207 4.320 -0.000 0.000 0.219 651 A C 2.083 179.770 177.584 0.172 0.000 1.169 651 A CA 1.279 53.428 52.037 0.186 0.000 0.635 651 A CB -0.782 18.295 19.000 0.127 0.000 0.810 651 A HN 0.280 nan 8.150 nan 0.000 0.446 652 L N -0.838 120.504 121.223 0.199 0.000 2.049 652 L HA 0.141 4.481 4.340 -0.000 0.000 0.203 652 L C 0.532 177.565 176.870 0.271 0.000 1.074 652 L CA 1.434 56.418 54.840 0.239 0.000 0.749 652 L CB -0.317 41.920 42.059 0.296 0.000 0.907 652 L HN 0.470 nan 8.230 nan 0.000 0.439 653 N N -1.126 117.779 118.700 0.341 0.000 2.629 653 N HA 0.025 4.765 4.740 -0.000 0.000 0.277 653 N C -0.037 175.596 175.510 0.205 0.000 1.188 653 N CA -0.084 53.084 53.050 0.196 0.000 0.835 653 N CB 1.103 39.590 38.487 -0.000 0.000 1.420 653 N HN -0.022 nan 8.380 nan 0.000 0.542 654 D N 1.951 122.477 120.400 0.211 0.000 2.084 654 D HA -0.073 4.567 4.640 -0.000 0.000 0.194 654 D C 1.648 178.077 176.300 0.215 0.000 0.990 654 D CA 1.367 55.553 54.000 0.310 0.000 0.826 654 D CB 0.497 41.452 40.800 0.259 0.000 0.971 654 D HN 0.299 nan 8.370 nan 0.000 0.453 655 V N 0.409 120.387 119.914 0.106 0.000 2.515 655 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 655 V C 2.547 178.643 176.094 0.004 0.000 1.058 655 V CA 1.592 63.923 62.300 0.051 0.000 1.064 655 V CB -0.540 31.291 31.823 0.013 0.000 0.675 655 V HN 0.218 nan 8.190 nan 0.000 0.461 656 R N 0.580 121.053 120.500 -0.044 0.000 2.075 656 R HA -0.163 4.177 4.340 -0.000 0.000 0.232 656 R C 2.513 178.806 176.300 -0.011 0.000 1.126 656 R CA 2.059 58.087 56.100 -0.119 0.000 0.963 656 R CB -0.436 29.631 30.300 -0.387 0.000 0.858 656 R HN 0.709 nan 8.270 nan 0.000 0.435 657 T N -1.159 113.429 114.554 0.057 0.000 2.821 657 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 657 T C 1.708 176.333 174.700 -0.125 0.000 1.046 657 T CA 0.808 62.911 62.100 0.005 0.000 1.139 657 T CB -0.199 68.450 68.868 -0.365 0.000 0.871 657 T HN 0.181 nan 8.240 nan 0.000 0.454 658 E N 1.624 121.804 120.200 -0.033 0.000 2.038 658 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 658 E C 2.552 179.102 176.600 -0.082 0.000 1.000 658 E CA 1.240 57.641 56.400 0.002 0.000 0.803 658 E CB -0.242 29.518 29.700 0.100 0.000 0.750 658 E HN 0.601 nan 8.360 nan 0.000 0.448 659 R N 0.079 120.548 120.500 -0.053 0.000 2.091 659 R HA -0.144 4.196 4.340 -0.000 0.000 0.238 659 R C 2.444 178.690 176.300 -0.091 0.000 1.136 659 R CA 0.863 56.922 56.100 -0.067 0.000 0.959 659 R CB -0.321 29.948 30.300 -0.052 0.000 0.856 659 R HN 0.075 nan 8.270 nan 0.000 0.437 660 L N 0.877 122.066 121.223 -0.056 0.000 2.056 660 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 660 L C 2.503 179.319 176.870 -0.090 0.000 1.078 660 L CA 1.651 56.480 54.840 -0.019 0.000 0.749 660 L CB -0.621 41.527 42.059 0.148 0.000 0.901 660 L HN 0.088 nan 8.230 nan 0.000 0.433 661 R N -0.509 119.831 120.500 -0.266 0.000 2.073 661 R HA -0.209 4.131 4.340 -0.000 0.000 0.234 661 R C 2.063 178.180 176.300 -0.306 0.000 1.134 661 R CA 1.954 57.713 56.100 -0.568 0.000 0.952 661 R CB -0.349 29.178 30.300 -1.289 0.000 0.850 661 R HN 0.382 nan 8.270 nan 0.000 0.433 662 D N -0.180 120.074 120.400 -0.242 0.000 2.104 662 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 662 D C 2.097 178.275 176.300 -0.204 0.000 0.994 662 D CA 1.528 55.424 54.000 -0.173 0.000 0.830 662 D CB -0.013 40.713 40.800 -0.123 0.000 0.959 662 D HN 0.182 nan 8.370 nan 0.000 0.452 663 R N -0.077 120.270 120.500 -0.255 0.000 2.082 663 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 663 R C 2.487 178.320 176.300 -0.778 0.000 1.136 663 R CA 1.697 57.547 56.100 -0.416 0.000 0.935 663 R CB -0.391 29.682 30.300 -0.378 0.000 0.842 663 R HN 0.286 nan 8.270 nan 0.000 0.430 664 I N 0.643 120.829 120.570 -0.640 0.000 2.179 664 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 664 I C 2.454 178.517 176.117 -0.089 0.000 1.088 664 I CA 1.794 62.773 61.300 -0.536 0.000 1.357 664 I CB -0.692 37.286 38.000 -0.036 0.000 1.051 664 I HN 0.432 nan 8.210 nan 0.000 0.409 665 T N -1.471 113.073 114.554 -0.015 0.000 2.849 665 T HA -0.257 4.093 4.350 -0.000 0.000 0.270 665 T C 1.744 176.457 174.700 0.022 0.000 1.066 665 T CA 1.278 63.429 62.100 0.085 0.000 1.130 665 T CB -0.445 68.432 68.868 0.015 0.000 0.864 665 T HN 0.423 nan 8.240 nan 0.000 0.481 666 Q N -0.729 119.037 119.800 -0.056 0.000 2.230 666 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 666 Q C 1.581 177.712 176.000 0.218 0.000 0.963 666 Q CA 0.979 56.796 55.803 0.022 0.000 0.866 666 Q CB -0.071 28.663 28.738 -0.007 0.000 0.931 666 Q HN 0.668 nan 8.270 nan 0.000 0.452 667 W N 1.289 122.679 121.300 0.150 0.000 2.825 667 W HA -0.066 4.594 4.660 -0.000 0.000 0.243 667 W C 1.814 178.439 176.519 0.176 0.000 1.293 667 W CA 0.619 58.082 57.345 0.197 0.000 1.403 667 W CB -0.498 29.126 29.460 0.274 0.000 1.134 667 W HN 0.387 nan 8.180 nan 0.000 0.666 668 Q N -0.244 119.606 119.800 0.085 0.000 2.435 668 Q HA -0.083 4.257 4.340 -0.000 0.000 0.207 668 Q C 0.983 176.825 176.000 -0.264 0.000 0.956 668 Q CA 0.806 56.196 55.803 -0.688 0.000 0.917 668 Q CB -0.339 27.595 28.738 -1.341 0.000 0.997 668 Q HN 0.013 nan 8.270 nan 0.000 0.497 669 L N 1.616 122.825 121.223 -0.023 0.000 2.777 669 L HA 0.297 4.637 4.340 -0.000 0.000 0.244 669 L C -0.271 176.662 176.870 0.105 0.000 1.235 669 L CA 0.428 55.280 54.840 0.020 0.000 1.062 669 L CB -1.735 40.351 42.059 0.046 0.000 1.340 669 L HN 0.242 nan 8.230 nan 0.000 0.439 670 F N 0.000 119.951 119.950 0.001 0.000 2.286 670 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 670 F CA 0.000 58.017 58.000 0.028 0.000 1.383 670 F CB 0.000 39.036 39.000 0.060 0.000 1.145 670 F HN 0.000 nan 8.300 nan 0.000 0.574