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 3d0h_1_A DATA FIRST_RESID 19 DATA SEQUENCE STTEELAKTF LETFNYEAQE LSYQSSVASW NYNTNITEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNPDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN VQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYAD 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.619 174.600 0.031 0.000 1.055 19 S CA 0.000 58.219 58.200 0.031 0.000 1.107 19 S CB 0.000 63.222 63.200 0.036 0.000 0.593 20 T N 0.638 115.213 114.554 0.035 0.000 3.141 20 T HA 0.235 4.585 4.350 0.001 0.000 0.391 20 T C 1.094 175.822 174.700 0.046 0.000 1.170 20 T CA 1.464 63.584 62.100 0.033 0.000 1.054 20 T CB -0.592 68.296 68.868 0.033 0.000 1.487 20 T HN 0.461 nan 8.240 nan 0.000 0.530 21 T N -0.736 113.847 114.554 0.049 0.000 3.031 21 T HA 0.131 4.481 4.350 0.001 0.000 0.254 21 T C 1.881 176.663 174.700 0.137 0.000 1.060 21 T CA 0.804 62.951 62.100 0.079 0.000 1.135 21 T CB -0.285 68.608 68.868 0.042 0.000 0.896 21 T HN 0.746 nan 8.240 nan 0.000 0.472 22 E N 1.448 121.702 120.200 0.090 0.000 2.023 22 E HA -0.217 4.133 4.350 0.001 0.000 0.196 22 E C 2.090 178.743 176.600 0.088 0.000 1.003 22 E CA 1.395 57.844 56.400 0.081 0.000 0.809 22 E CB -0.019 29.711 29.700 0.051 0.000 0.755 22 E HN 0.280 nan 8.360 nan 0.000 0.449 23 E N 0.299 120.546 120.200 0.079 0.000 2.130 23 E HA -0.183 4.167 4.350 0.001 0.000 0.196 23 E C 2.051 178.716 176.600 0.109 0.000 0.998 23 E CA 1.140 57.586 56.400 0.078 0.000 0.806 23 E CB -0.171 29.566 29.700 0.062 0.000 0.738 23 E HN 0.322 nan 8.360 nan 0.000 0.459 24 L N -0.634 120.680 121.223 0.152 0.000 2.131 24 L HA -0.174 4.166 4.340 0.001 0.000 0.210 24 L C 2.325 179.359 176.870 0.273 0.000 1.092 24 L CA 1.025 56.005 54.840 0.233 0.000 0.759 24 L CB -0.405 41.823 42.059 0.282 0.000 0.903 24 L HN 0.205 nan 8.230 nan 0.000 0.435 25 A N -0.155 122.775 122.820 0.185 0.000 1.872 25 A HA -0.143 4.177 4.320 0.001 0.000 0.214 25 A C 2.269 179.846 177.584 -0.010 0.000 1.187 25 A CA 1.029 52.998 52.037 -0.113 0.000 0.614 25 A CB -0.222 18.727 19.000 -0.085 0.000 0.826 25 A HN 0.194 nan 8.150 nan 0.000 0.442 26 K N -0.088 120.339 120.400 0.046 0.000 2.052 26 K HA -0.190 4.130 4.320 0.001 0.000 0.215 26 K C 1.975 178.622 176.600 0.079 0.000 1.053 26 K CA 2.120 58.441 56.287 0.057 0.000 0.934 26 K CB -1.454 31.082 32.500 0.060 0.000 0.717 26 K HN 0.527 nan 8.250 nan 0.000 0.450 27 T N 1.393 116.010 114.554 0.105 0.000 2.833 27 T HA -0.138 4.212 4.350 0.001 0.000 0.269 27 T C 1.621 176.411 174.700 0.150 0.000 1.054 27 T CA 1.267 63.441 62.100 0.123 0.000 1.135 27 T CB -0.371 68.577 68.868 0.133 0.000 0.869 27 T HN 0.271 nan 8.240 nan 0.000 0.466 28 F N 1.812 121.759 119.950 -0.005 0.000 2.060 28 F HA -0.051 4.476 4.527 0.001 0.000 0.295 28 F C 1.957 177.783 175.800 0.044 0.000 1.120 28 F CA 0.923 58.911 58.000 -0.020 0.000 1.205 28 F CB -0.337 38.515 39.000 -0.246 0.000 0.986 28 F HN -0.078 nan 8.300 nan 0.000 0.470 29 L N 1.015 122.163 121.223 -0.125 0.000 2.089 29 L HA -0.254 4.086 4.340 0.001 0.000 0.213 29 L C 2.334 179.218 176.870 0.022 0.000 1.079 29 L CA 1.845 56.625 54.840 -0.099 0.000 0.758 29 L CB -1.587 40.484 42.059 0.020 0.000 0.891 29 L HN 0.371 nan 8.230 nan 0.000 0.433 30 E N -0.846 119.387 120.200 0.055 0.000 2.023 30 E HA -0.207 4.143 4.350 0.001 0.000 0.196 30 E C 1.976 178.703 176.600 0.213 0.000 1.003 30 E CA 1.943 58.428 56.400 0.142 0.000 0.809 30 E CB -0.131 29.672 29.700 0.172 0.000 0.755 30 E HN 0.444 nan 8.360 nan 0.000 0.449 31 T N 1.130 115.756 114.554 0.119 0.000 2.737 31 T HA -0.203 4.147 4.350 0.001 0.000 0.269 31 T C 1.459 176.209 174.700 0.084 0.000 1.040 31 T CA 1.317 63.475 62.100 0.096 0.000 1.142 31 T CB -0.401 68.499 68.868 0.053 0.000 0.861 31 T HN 0.207 nan 8.240 nan 0.000 0.456 32 F N 2.131 121.980 119.950 -0.170 0.000 2.051 32 F HA -0.148 4.380 4.527 0.001 0.000 0.296 32 F C 2.005 177.778 175.800 -0.045 0.000 1.122 32 F CA 1.512 59.432 58.000 -0.133 0.000 1.201 32 F CB -0.588 38.184 39.000 -0.380 0.000 0.978 32 F HN 0.166 nan 8.300 nan 0.000 0.472 33 N N -0.615 117.959 118.700 -0.211 0.000 2.053 33 N HA -0.352 4.388 4.740 0.001 0.000 0.200 33 N C 1.713 176.920 175.510 -0.505 0.000 1.041 33 N CA 2.367 55.162 53.050 -0.425 0.000 0.882 33 N CB -0.902 37.431 38.487 -0.258 0.000 1.080 33 N HN 0.327 nan 8.380 nan 0.000 0.481 34 Y N 0.507 120.632 120.300 -0.291 0.000 2.298 34 Y HA -0.196 4.354 4.550 0.001 0.000 0.287 34 Y C 2.460 178.150 175.900 -0.350 0.000 1.164 34 Y CA 1.073 59.011 58.100 -0.270 0.000 1.229 34 Y CB -0.139 38.219 38.460 -0.170 0.000 0.977 34 Y HN 0.229 nan 8.280 nan 0.000 0.538 35 E N -0.001 120.051 120.200 -0.247 0.000 2.102 35 E HA 0.001 4.351 4.350 0.001 0.000 0.190 35 E C 2.264 178.466 176.600 -0.664 0.000 0.971 35 E CA 0.980 57.139 56.400 -0.401 0.000 0.821 35 E CB -0.453 29.057 29.700 -0.316 0.000 0.777 35 E HN 0.217 nan 8.360 nan 0.000 0.460 36 A N 1.081 123.453 122.820 -0.747 0.000 1.908 36 A HA -0.256 4.064 4.320 0.001 0.000 0.218 36 A C 2.138 179.134 177.584 -0.981 0.000 1.181 36 A CA 1.864 53.411 52.037 -0.818 0.000 0.627 36 A CB -0.690 17.564 19.000 -1.245 0.000 0.818 36 A HN 0.350 nan 8.150 nan 0.000 0.445 37 Q N -0.800 118.452 119.800 -0.913 0.000 2.152 37 Q HA -0.214 4.126 4.340 0.001 0.000 0.206 37 Q C 1.868 177.635 176.000 -0.389 0.000 0.985 37 Q CA 1.544 56.992 55.803 -0.591 0.000 0.863 37 Q CB -0.196 28.296 28.738 -0.409 0.000 0.904 37 Q HN 0.679 nan 8.270 nan 0.000 0.422 38 E N 0.488 120.457 120.200 -0.384 0.000 2.076 38 E HA -0.047 4.303 4.350 0.001 0.000 0.190 38 E C 2.203 178.634 176.600 -0.282 0.000 0.979 38 E CA 0.534 56.775 56.400 -0.265 0.000 0.807 38 E CB -0.193 29.369 29.700 -0.231 0.000 0.761 38 E HN 0.353 nan 8.360 nan 0.000 0.454 39 L N 0.882 121.846 121.223 -0.432 0.000 2.027 39 L HA -0.124 4.216 4.340 0.001 0.000 0.206 39 L C 2.717 179.223 176.870 -0.606 0.000 1.074 39 L CA 1.271 55.868 54.840 -0.405 0.000 0.745 39 L CB -0.583 41.288 42.059 -0.313 0.000 0.898 39 L HN 0.123 nan 8.230 nan 0.000 0.433 40 S N -0.679 114.387 115.700 -1.056 0.000 2.359 40 S HA -0.288 4.182 4.470 0.001 0.000 0.224 40 S C 2.095 176.436 174.600 -0.433 0.000 1.035 40 S CA 1.476 58.975 58.200 -1.168 0.000 1.018 40 S CB -0.428 62.253 63.200 -0.866 0.000 0.876 40 S HN 0.423 nan 8.310 nan 0.000 0.448 41 Y N 1.918 122.006 120.300 -0.353 0.000 2.114 41 Y HA -0.142 4.409 4.550 0.001 0.000 0.284 41 Y C 2.583 178.398 175.900 -0.142 0.000 1.143 41 Y CA 2.314 60.297 58.100 -0.194 0.000 1.135 41 Y CB -0.768 37.587 38.460 -0.175 0.000 0.980 41 Y HN 0.392 nan 8.280 nan 0.000 0.499 42 Q N -1.034 118.712 119.800 -0.091 0.000 2.173 42 Q HA -0.268 4.072 4.340 0.001 0.000 0.208 42 Q C 2.525 178.461 176.000 -0.106 0.000 0.989 42 Q CA 1.921 57.664 55.803 -0.100 0.000 0.872 42 Q CB -0.414 28.289 28.738 -0.058 0.000 0.909 42 Q HN 0.463 nan 8.270 nan 0.000 0.420 43 S N -0.223 115.407 115.700 -0.118 0.000 2.357 43 S HA -0.104 4.366 4.470 0.001 0.000 0.221 43 S C 2.050 176.677 174.600 0.045 0.000 1.031 43 S CA 1.312 59.504 58.200 -0.012 0.000 0.982 43 S CB -0.021 63.178 63.200 -0.002 0.000 0.853 43 S HN 0.307 nan 8.310 nan 0.000 0.458 44 S N 1.058 116.751 115.700 -0.010 0.000 2.368 44 S HA -0.056 4.414 4.470 0.001 0.000 0.225 44 S C 1.923 176.608 174.600 0.141 0.000 1.030 44 S CA 1.365 59.645 58.200 0.133 0.000 0.999 44 S CB -0.612 62.618 63.200 0.050 0.000 0.844 44 S HN 0.419 nan 8.310 nan 0.000 0.459 45 V N 2.124 121.941 119.914 -0.163 0.000 2.392 45 V HA -0.238 3.883 4.120 0.001 0.000 0.249 45 V C 2.589 178.710 176.094 0.045 0.000 1.059 45 V CA 1.723 63.916 62.300 -0.177 0.000 1.051 45 V CB -1.293 30.318 31.823 -0.353 0.000 0.658 45 V HN 0.541 nan 8.190 nan 0.000 0.455 46 A N -0.517 122.339 122.820 0.061 0.000 1.825 46 A HA -0.207 4.113 4.320 0.001 0.000 0.214 46 A C 2.483 180.202 177.584 0.224 0.000 1.206 46 A CA 2.126 54.233 52.037 0.118 0.000 0.609 46 A CB -1.112 17.938 19.000 0.084 0.000 0.851 46 A HN 0.446 nan 8.150 nan 0.000 0.445 47 S N -1.283 114.590 115.700 0.288 0.000 2.393 47 S HA -0.267 4.203 4.470 0.001 0.000 0.235 47 S C 1.598 176.519 174.600 0.535 0.000 1.061 47 S CA 1.727 60.196 58.200 0.447 0.000 1.129 47 S CB -0.634 62.867 63.200 0.502 0.000 1.011 47 S HN 0.710 nan 8.310 nan 0.000 0.436 48 W N 2.428 123.859 121.300 0.217 0.000 2.304 48 W HA -0.222 4.438 4.660 0.001 0.000 0.328 48 W C 1.891 178.291 176.519 -0.199 0.000 1.242 48 W CA 1.903 59.019 57.345 -0.381 0.000 1.243 48 W CB -1.302 27.756 29.460 -0.670 0.000 1.170 48 W HN 0.414 nan 8.180 nan 0.000 0.460 49 N N -0.562 118.228 118.700 0.150 0.000 2.096 49 N HA -0.336 4.404 4.740 0.001 0.000 0.195 49 N C 1.794 177.273 175.510 -0.052 0.000 1.017 49 N CA 2.109 55.185 53.050 0.044 0.000 0.870 49 N CB -0.935 37.627 38.487 0.126 0.000 1.024 49 N HN 0.262 nan 8.380 nan 0.000 0.434 50 Y N 1.995 122.259 120.300 -0.060 0.000 2.145 50 Y HA -0.145 4.406 4.550 0.001 0.000 0.286 50 Y C 1.649 177.482 175.900 -0.111 0.000 1.145 50 Y CA 1.623 59.694 58.100 -0.048 0.000 1.148 50 Y CB -0.474 37.998 38.460 0.020 0.000 0.981 50 Y HN 0.003 nan 8.280 nan 0.000 0.507 51 N N -0.789 117.655 118.700 -0.428 0.000 2.396 51 N HA -0.089 4.652 4.740 0.001 0.000 0.180 51 N C 1.583 176.724 175.510 -0.616 0.000 1.028 51 N CA 1.721 54.435 53.050 -0.561 0.000 0.893 51 N CB -0.203 38.169 38.487 -0.191 0.000 0.967 51 N HN 0.618 nan 8.380 nan 0.000 0.440 52 T N -3.713 110.409 114.554 -0.718 0.000 3.051 52 T HA 0.117 4.467 4.350 0.001 0.000 0.255 52 T C 0.420 174.903 174.700 -0.362 0.000 1.085 52 T CA 0.080 61.801 62.100 -0.632 0.000 1.109 52 T CB 0.155 68.543 68.868 -0.800 0.000 0.921 52 T HN -0.082 nan 8.240 nan 0.000 0.488 53 N N 1.039 119.555 118.700 -0.307 0.000 2.607 53 N HA 0.309 5.050 4.740 0.001 0.000 0.271 53 N C -1.076 174.332 175.510 -0.169 0.000 1.142 53 N CA -0.685 52.257 53.050 -0.180 0.000 0.810 53 N CB 0.886 39.311 38.487 -0.103 0.000 1.306 53 N HN 0.324 nan 8.380 nan 0.000 0.536 54 I N 2.149 122.608 120.570 -0.185 0.000 2.280 54 I HA 0.100 4.271 4.170 0.001 0.000 0.287 54 I C 0.275 176.396 176.117 0.007 0.000 1.121 54 I CA 0.037 61.247 61.300 -0.149 0.000 1.798 54 I CB -0.765 37.134 38.000 -0.169 0.000 1.489 54 I HN 0.192 nan 8.210 nan 0.000 0.805 55 T N 0.646 115.232 114.554 0.054 0.000 2.927 55 T HA 0.127 4.478 4.350 0.001 0.000 0.281 55 T C 1.104 175.866 174.700 0.104 0.000 0.998 55 T CA -0.505 61.634 62.100 0.064 0.000 1.019 55 T CB 2.440 71.333 68.868 0.042 0.000 1.061 55 T HN 0.356 nan 8.240 nan 0.000 0.518 56 E N 1.287 121.530 120.200 0.073 0.000 2.107 56 E HA -0.151 4.199 4.350 0.001 0.000 0.191 56 E C 2.071 178.705 176.600 0.056 0.000 0.982 56 E CA 1.559 57.998 56.400 0.066 0.000 0.809 56 E CB -0.133 29.595 29.700 0.046 0.000 0.756 56 E HN 0.834 nan 8.360 nan 0.000 0.459 57 E N -0.446 119.784 120.200 0.050 0.000 2.204 57 E HA -0.182 4.168 4.350 0.001 0.000 0.194 57 E C 1.494 178.126 176.600 0.052 0.000 0.989 57 E CA 1.319 57.744 56.400 0.042 0.000 0.824 57 E CB -0.297 29.424 29.700 0.035 0.000 0.756 57 E HN 0.185 nan 8.360 nan 0.000 0.477 58 N N 0.899 119.647 118.700 0.080 0.000 2.173 58 N HA -0.103 4.638 4.740 0.001 0.000 0.184 58 N C 1.824 177.393 175.510 0.098 0.000 1.025 58 N CA 1.065 54.183 53.050 0.113 0.000 0.852 58 N CB -0.222 38.361 38.487 0.161 0.000 0.998 58 N HN 0.041 nan 8.380 nan 0.000 0.427 59 V N 0.542 120.512 119.914 0.094 0.000 2.720 59 V HA -0.211 3.909 4.120 0.001 0.000 0.256 59 V C 2.061 178.105 176.094 -0.084 0.000 1.082 59 V CA 1.597 63.834 62.300 -0.104 0.000 1.101 59 V CB -0.259 31.527 31.823 -0.062 0.000 0.693 59 V HN 0.246 nan 8.190 nan 0.000 0.479 60 Q N 0.461 120.254 119.800 -0.013 0.000 2.033 60 Q HA -0.086 4.255 4.340 0.001 0.000 0.196 60 Q C 2.073 178.073 176.000 0.000 0.000 0.970 60 Q CA 2.055 57.856 55.803 -0.004 0.000 0.828 60 Q CB -0.365 28.381 28.738 0.013 0.000 0.895 60 Q HN 0.660 nan 8.270 nan 0.000 0.440 61 N N -0.579 118.129 118.700 0.015 0.000 2.270 61 N HA -0.100 4.640 4.740 0.001 0.000 0.181 61 N C 1.536 177.062 175.510 0.027 0.000 1.016 61 N CA 0.720 53.786 53.050 0.025 0.000 0.870 61 N CB -0.210 38.298 38.487 0.035 0.000 0.979 61 N HN 0.292 nan 8.380 nan 0.000 0.431 62 M N 1.250 120.858 119.600 0.012 0.000 2.195 62 M HA -0.191 4.290 4.480 0.001 0.000 0.260 62 M C 0.790 177.089 176.300 -0.001 0.000 1.066 62 M CA 1.617 56.919 55.300 0.002 0.000 1.089 62 M CB -0.461 32.069 32.600 -0.118 0.000 1.377 62 M HN 0.064 nan 8.290 nan 0.000 0.411 63 N N 0.387 119.074 118.700 -0.021 0.000 2.124 63 N HA -0.089 4.651 4.740 0.001 0.000 0.189 63 N C 1.230 176.764 175.510 0.039 0.000 1.050 63 N CA 1.476 54.528 53.050 0.003 0.000 0.848 63 N CB -0.586 37.893 38.487 -0.014 0.000 1.027 63 N HN 0.261 nan 8.380 nan 0.000 0.435 64 N N 1.153 119.874 118.700 0.034 0.000 2.103 64 N HA -0.273 4.468 4.740 0.001 0.000 0.200 64 N C 1.539 177.093 175.510 0.072 0.000 1.016 64 N CA 2.018 55.096 53.050 0.047 0.000 0.890 64 N CB -1.001 37.508 38.487 0.037 0.000 1.075 64 N HN 0.346 nan 8.380 nan 0.000 0.506 65 A N 0.040 122.903 122.820 0.071 0.000 1.902 65 A HA 0.015 4.335 4.320 0.001 0.000 0.217 65 A C 2.409 180.090 177.584 0.161 0.000 1.181 65 A CA 2.051 54.141 52.037 0.088 0.000 0.623 65 A CB -1.192 17.841 19.000 0.056 0.000 0.818 65 A HN 0.433 nan 8.150 nan 0.000 0.443 66 G N -0.604 108.294 108.800 0.163 0.000 2.443 66 G HA2 -0.156 3.804 3.960 0.001 0.000 0.219 66 G HA3 -0.156 3.804 3.960 0.001 0.000 0.219 66 G C 1.090 176.121 174.900 0.217 0.000 1.131 66 G CA 1.141 46.380 45.100 0.232 0.000 0.775 66 G HN 0.475 nan 8.290 nan 0.000 0.547 67 D N 0.684 121.174 120.400 0.151 0.000 2.110 67 D HA -0.005 4.636 4.640 0.001 0.000 0.202 67 D C 2.410 178.803 176.300 0.154 0.000 0.975 67 D CA 0.626 54.697 54.000 0.119 0.000 0.839 67 D CB -0.169 40.678 40.800 0.078 0.000 0.996 67 D HN 0.201 nan 8.370 nan 0.000 0.464 68 K N 0.409 120.911 120.400 0.171 0.000 2.034 68 K HA -0.190 4.131 4.320 0.001 0.000 0.214 68 K C 2.123 178.930 176.600 0.344 0.000 1.051 68 K CA 1.194 57.603 56.287 0.204 0.000 0.931 68 K CB -0.337 32.254 32.500 0.152 0.000 0.715 68 K HN 0.351 nan 8.250 nan 0.000 0.446 69 W N 1.857 123.231 121.300 0.123 0.000 2.311 69 W HA -0.320 4.340 4.660 0.001 0.000 0.326 69 W C 2.371 179.028 176.519 0.229 0.000 1.239 69 W CA 1.856 59.310 57.345 0.182 0.000 1.258 69 W CB -0.254 29.286 29.460 0.134 0.000 1.165 69 W HN 0.187 nan 8.180 nan 0.000 0.466 70 S N 0.929 116.675 115.700 0.076 0.000 2.383 70 S HA -0.202 4.269 4.470 0.001 0.000 0.229 70 S C 1.899 176.479 174.600 -0.033 0.000 1.030 70 S CA 1.451 59.574 58.200 -0.129 0.000 1.002 70 S CB -1.150 62.015 63.200 -0.059 0.000 0.829 70 S HN 0.373 nan 8.310 nan 0.000 0.467 71 A N 0.850 123.721 122.820 0.085 0.000 2.014 71 A HA 0.179 4.500 4.320 0.001 0.000 0.218 71 A C 1.886 179.559 177.584 0.148 0.000 1.163 71 A CA 1.090 53.184 52.037 0.095 0.000 0.652 71 A CB -0.825 18.242 19.000 0.112 0.000 0.808 71 A HN 0.590 nan 8.150 nan 0.000 0.449 72 F N 0.241 120.248 119.950 0.096 0.000 2.234 72 F HA 0.029 4.556 4.527 0.001 0.000 0.296 72 F C 1.674 177.549 175.800 0.125 0.000 1.089 72 F CA 1.040 59.128 58.000 0.146 0.000 1.343 72 F CB -0.259 38.886 39.000 0.242 0.000 1.040 72 F HN 0.117 nan 8.300 nan 0.000 0.498 73 L N 0.473 121.592 121.223 -0.173 0.000 1.989 73 L HA -0.236 4.104 4.340 0.001 0.000 0.211 73 L C 2.781 179.501 176.870 -0.251 0.000 1.071 73 L CA 1.547 56.182 54.840 -0.341 0.000 0.749 73 L CB -0.769 41.016 42.059 -0.458 0.000 0.890 73 L HN 0.041 nan 8.230 nan 0.000 0.431 74 K N 0.313 120.621 120.400 -0.154 0.000 1.987 74 K HA -0.280 4.040 4.320 0.001 0.000 0.216 74 K C 1.979 178.526 176.600 -0.089 0.000 1.051 74 K CA 1.959 58.188 56.287 -0.097 0.000 0.942 74 K CB -0.394 32.075 32.500 -0.052 0.000 0.722 74 K HN 0.305 nan 8.250 nan 0.000 0.444 75 E N -0.034 120.127 120.200 -0.065 0.000 2.136 75 E HA -0.280 4.071 4.350 0.001 0.000 0.208 75 E C 1.962 178.532 176.600 -0.050 0.000 1.035 75 E CA 1.679 58.063 56.400 -0.027 0.000 0.838 75 E CB 0.120 29.844 29.700 0.039 0.000 0.748 75 E HN 0.288 nan 8.360 nan 0.000 0.459 76 Q N -0.091 119.597 119.800 -0.186 0.000 2.020 76 Q HA -0.118 4.222 4.340 0.001 0.000 0.198 76 Q C 2.488 178.470 176.000 -0.031 0.000 0.974 76 Q CA 1.595 57.330 55.803 -0.113 0.000 0.829 76 Q CB -0.643 27.879 28.738 -0.360 0.000 0.894 76 Q HN 0.393 nan 8.270 nan 0.000 0.433 77 S N 0.910 116.539 115.700 -0.118 0.000 2.369 77 S HA -0.218 4.253 4.470 0.001 0.000 0.225 77 S C 2.153 176.729 174.600 -0.041 0.000 1.043 77 S CA 2.451 60.600 58.200 -0.084 0.000 1.074 77 S CB -1.254 61.894 63.200 -0.086 0.000 0.962 77 S HN 0.541 nan 8.310 nan 0.000 0.433 78 T N 0.884 115.417 114.554 -0.036 0.000 2.881 78 T HA 0.118 4.468 4.350 0.001 0.000 0.270 78 T C 1.870 176.554 174.700 -0.028 0.000 1.068 78 T CA 1.214 63.298 62.100 -0.027 0.000 1.131 78 T CB -0.677 68.178 68.868 -0.021 0.000 0.871 78 T HN 0.381 nan 8.240 nan 0.000 0.479 79 L N 0.694 121.911 121.223 -0.009 0.000 2.095 79 L HA 0.173 4.513 4.340 0.001 0.000 0.204 79 L C 3.256 180.018 176.870 -0.180 0.000 1.080 79 L CA 1.011 55.830 54.840 -0.036 0.000 0.759 79 L CB -0.767 41.343 42.059 0.085 0.000 0.914 79 L HN 0.349 nan 8.230 nan 0.000 0.439 80 A N -0.638 122.091 122.820 -0.152 0.000 2.125 80 A HA -0.248 4.072 4.320 0.001 0.000 0.219 80 A C 2.106 179.644 177.584 -0.077 0.000 1.156 80 A CA 1.310 53.203 52.037 -0.241 0.000 0.671 80 A CB -0.358 18.657 19.000 0.025 0.000 0.794 80 A HN 0.353 nan 8.150 nan 0.000 0.459 81 Q N -0.597 119.170 119.800 -0.054 0.000 2.230 81 Q HA 0.088 4.429 4.340 0.001 0.000 0.202 81 Q C 1.583 177.559 176.000 -0.041 0.000 0.963 81 Q CA 0.971 56.755 55.803 -0.031 0.000 0.866 81 Q CB -0.340 28.379 28.738 -0.032 0.000 0.931 81 Q HN 0.715 nan 8.270 nan 0.000 0.452 82 M N 0.262 119.814 119.600 -0.080 0.000 2.766 82 M HA 0.028 4.508 4.480 0.001 0.000 0.208 82 M C -0.919 175.168 176.300 -0.355 0.000 1.152 82 M CA 0.394 55.576 55.300 -0.197 0.000 1.013 82 M CB -0.093 32.350 32.600 -0.261 0.000 1.813 82 M HN -0.010 nan 8.290 nan 0.000 0.478 83 Y N 0.639 120.841 120.300 -0.164 0.000 2.373 83 Y HA 0.356 4.906 4.550 0.001 0.000 0.336 83 Y C -2.219 173.630 175.900 -0.085 0.000 0.979 83 Y CA -2.683 55.339 58.100 -0.131 0.000 1.080 83 Y CB 1.412 39.776 38.460 -0.159 0.000 1.190 83 Y HN 0.007 nan 8.280 nan 0.000 0.446 84 P HA 0.132 nan 4.420 nan 0.000 0.274 84 P C 0.520 177.844 177.300 0.040 0.000 1.470 84 P CA -0.220 62.892 63.100 0.020 0.000 1.001 84 P CB 0.436 32.128 31.700 -0.013 0.000 1.332 85 L N 1.617 122.859 121.223 0.033 0.000 2.376 85 L HA -0.094 4.247 4.340 0.001 0.000 0.219 85 L C 1.539 178.415 176.870 0.010 0.000 1.133 85 L CA 1.016 55.871 54.840 0.025 0.000 0.816 85 L CB -0.898 41.170 42.059 0.016 0.000 0.933 85 L HN 0.040 nan 8.230 nan 0.000 0.449 86 Q N 0.977 120.776 119.800 -0.002 0.000 2.167 86 Q HA -0.109 4.231 4.340 0.001 0.000 0.202 86 Q C 1.600 177.598 176.000 -0.004 0.000 0.970 86 Q CA 1.347 57.143 55.803 -0.011 0.000 0.855 86 Q CB -0.275 28.448 28.738 -0.026 0.000 0.911 86 Q HN 0.642 nan 8.270 nan 0.000 0.438 87 E N 0.369 120.570 120.200 0.002 0.000 2.311 87 E HA 0.166 4.516 4.350 0.001 0.000 0.198 87 E C -0.838 175.774 176.600 0.020 0.000 1.115 87 E CA -0.126 56.278 56.400 0.006 0.000 1.140 87 E CB 0.111 29.812 29.700 0.002 0.000 1.204 87 E HN 0.267 nan 8.360 nan 0.000 0.446 88 I N 2.101 122.682 120.570 0.020 0.000 2.534 88 I HA 0.110 4.280 4.170 0.001 0.000 0.288 88 I C -0.537 175.589 176.117 0.015 0.000 1.077 88 I CA -0.800 60.515 61.300 0.025 0.000 1.051 88 I CB 1.955 39.976 38.000 0.034 0.000 1.234 88 I HN -0.016 nan 8.210 nan 0.000 0.425 89 Q N 6.192 126.000 119.800 0.014 0.000 2.788 89 Q HA 0.321 4.662 4.340 0.001 0.000 0.285 89 Q C -1.016 174.989 176.000 0.008 0.000 1.063 89 Q CA -0.227 55.581 55.803 0.008 0.000 0.958 89 Q CB 0.870 29.612 28.738 0.006 0.000 1.211 89 Q HN 0.781 nan 8.270 nan 0.000 0.478 90 N N 2.820 121.524 118.700 0.006 0.000 2.824 90 N HA 0.063 4.803 4.740 0.001 0.000 0.224 90 N C -0.024 175.485 175.510 -0.001 0.000 1.418 90 N CA -0.072 52.980 53.050 0.003 0.000 0.743 90 N CB 0.520 39.012 38.487 0.009 0.000 1.395 90 N HN 0.130 nan 8.380 nan 0.000 0.548 91 L N 0.718 121.937 121.223 -0.007 0.000 2.173 91 L HA -0.396 3.944 4.340 0.001 0.000 0.239 91 L C 2.438 179.301 176.870 -0.013 0.000 1.123 91 L CA 2.438 57.271 54.840 -0.013 0.000 0.847 91 L CB -1.572 40.471 42.059 -0.025 0.000 0.940 91 L HN 0.512 nan 8.230 nan 0.000 0.450 92 T N -0.539 114.006 114.554 -0.015 0.000 2.597 92 T HA -0.252 4.099 4.350 0.001 0.000 0.267 92 T C 1.865 176.563 174.700 -0.004 0.000 1.053 92 T CA 2.608 64.701 62.100 -0.012 0.000 1.165 92 T CB -0.687 68.176 68.868 -0.009 0.000 0.863 92 T HN 0.424 nan 8.240 nan 0.000 0.427 93 V N 0.805 120.720 119.914 0.002 0.000 2.295 93 V HA -0.190 3.930 4.120 0.001 0.000 0.246 93 V C 2.170 178.265 176.094 0.002 0.000 1.049 93 V CA 1.668 63.972 62.300 0.006 0.000 1.024 93 V CB -0.904 30.925 31.823 0.011 0.000 0.648 93 V HN 0.434 nan 8.190 nan 0.000 0.447 94 K N 0.500 120.901 120.400 0.002 0.000 2.059 94 K HA -0.174 4.146 4.320 0.001 0.000 0.212 94 K C 2.267 178.866 176.600 -0.002 0.000 1.050 94 K CA 2.229 58.517 56.287 0.002 0.000 0.927 94 K CB -0.674 31.827 32.500 0.002 0.000 0.714 94 K HN 0.438 nan 8.250 nan 0.000 0.447 95 L N 1.559 122.779 121.223 -0.005 0.000 1.990 95 L HA -0.300 4.040 4.340 0.001 0.000 0.213 95 L C 2.871 179.735 176.870 -0.010 0.000 1.072 95 L CA 1.648 56.483 54.840 -0.009 0.000 0.755 95 L CB -0.507 41.541 42.059 -0.018 0.000 0.889 95 L HN 0.333 nan 8.230 nan 0.000 0.432 96 Q N -0.883 118.914 119.800 -0.004 0.000 2.046 96 Q HA -0.229 4.111 4.340 0.001 0.000 0.200 96 Q C 2.262 178.248 176.000 -0.023 0.000 0.975 96 Q CA 1.126 56.930 55.803 0.001 0.000 0.836 96 Q CB -0.628 28.128 28.738 0.030 0.000 0.896 96 Q HN 0.314 nan 8.270 nan 0.000 0.428 97 L N 1.637 122.848 121.223 -0.019 0.000 1.990 97 L HA -0.246 4.094 4.340 0.001 0.000 0.213 97 L C 2.571 179.426 176.870 -0.025 0.000 1.072 97 L CA 2.031 56.856 54.840 -0.025 0.000 0.755 97 L CB -0.828 41.218 42.059 -0.021 0.000 0.889 97 L HN 0.301 nan 8.230 nan 0.000 0.432 98 Q N -0.879 118.914 119.800 -0.013 0.000 2.119 98 Q HA -0.171 4.169 4.340 0.001 0.000 0.201 98 Q C 2.083 178.079 176.000 -0.007 0.000 0.972 98 Q CA 1.689 57.489 55.803 -0.005 0.000 0.847 98 Q CB -0.101 28.639 28.738 0.003 0.000 0.903 98 Q HN 0.636 nan 8.270 nan 0.000 0.433 99 A N 0.992 123.803 122.820 -0.016 0.000 1.902 99 A HA -0.158 4.163 4.320 0.001 0.000 0.217 99 A C 2.140 179.705 177.584 -0.033 0.000 1.181 99 A CA 1.078 53.105 52.037 -0.017 0.000 0.623 99 A CB -0.736 18.256 19.000 -0.014 0.000 0.818 99 A HN 0.448 nan 8.150 nan 0.000 0.443 100 L N -0.720 120.459 121.223 -0.072 0.000 2.217 100 L HA -0.101 4.239 4.340 0.001 0.000 0.211 100 L C 1.389 178.209 176.870 -0.082 0.000 1.107 100 L CA 0.678 55.435 54.840 -0.138 0.000 0.783 100 L CB -0.238 41.658 42.059 -0.272 0.000 0.919 100 L HN 0.484 nan 8.230 nan 0.000 0.442 101 Q N 0.529 120.305 119.800 -0.040 0.000 2.516 101 Q HA -0.103 4.237 4.340 0.001 0.000 0.245 101 Q C -0.266 175.741 176.000 0.012 0.000 0.958 101 Q CA -0.013 55.782 55.803 -0.013 0.000 0.959 101 Q CB -0.159 28.579 28.738 0.000 0.000 1.403 101 Q HN 0.202 nan 8.270 nan 0.000 0.405 102 Q N 0.747 120.547 119.800 0.000 0.000 2.566 102 Q HA 0.053 4.394 4.340 0.001 0.000 0.221 102 Q C 0.619 176.634 176.000 0.026 0.000 1.195 102 Q CA -0.045 55.778 55.803 0.033 0.000 0.967 102 Q CB 0.023 28.771 28.738 0.016 0.000 1.337 102 Q HN 0.231 nan 8.270 nan 0.000 0.553 103 N N 2.320 121.048 118.700 0.047 0.000 2.223 103 N HA -0.118 4.622 4.740 0.001 0.000 0.185 103 N C 0.807 176.331 175.510 0.024 0.000 1.016 103 N CA 1.155 54.222 53.050 0.027 0.000 0.863 103 N CB 0.024 38.530 38.487 0.033 0.000 0.983 103 N HN 0.739 nan 8.380 nan 0.000 0.429 104 G N -0.044 108.797 108.800 0.068 0.000 2.602 104 G HA2 -0.385 3.575 3.960 0.001 0.000 0.306 104 G HA3 -0.385 3.575 3.960 0.001 0.000 0.306 104 G C 0.733 175.615 174.900 -0.031 0.000 1.301 104 G CA 1.364 46.492 45.100 0.048 0.000 0.974 104 G HN 0.603 nan 8.290 nan 0.000 0.547 105 S N -0.686 114.975 115.700 -0.066 0.000 2.607 105 S HA 0.202 4.672 4.470 0.001 0.000 0.224 105 S C 1.993 176.545 174.600 -0.080 0.000 0.969 105 S CA 1.395 59.532 58.200 -0.106 0.000 0.927 105 S CB 0.043 63.171 63.200 -0.119 0.000 0.772 105 S HN 1.064 nan 8.310 nan 0.000 0.533 106 S N 0.869 116.536 115.700 -0.055 0.000 2.555 106 S HA 0.076 4.546 4.470 0.001 0.000 0.230 106 S C 1.478 176.048 174.600 -0.050 0.000 0.978 106 S CA 0.582 58.754 58.200 -0.047 0.000 0.934 106 S CB -0.083 63.095 63.200 -0.036 0.000 0.766 106 S HN 0.470 nan 8.310 nan 0.000 0.533 107 V N 1.480 121.359 119.914 -0.058 0.000 3.129 107 V HA 0.184 4.304 4.120 0.001 0.000 0.259 107 V C 0.535 176.582 176.094 -0.079 0.000 1.116 107 V CA 0.625 62.886 62.300 -0.065 0.000 1.127 107 V CB -0.324 31.459 31.823 -0.068 0.000 0.742 107 V HN 0.361 nan 8.190 nan 0.000 0.474 108 L N 0.651 121.821 121.223 -0.088 0.000 2.479 108 L HA 0.363 4.704 4.340 0.001 0.000 0.249 108 L C 0.893 177.720 176.870 -0.072 0.000 1.178 108 L CA 0.162 54.947 54.840 -0.092 0.000 0.811 108 L CB 0.691 42.684 42.059 -0.111 0.000 1.187 108 L HN 0.278 nan 8.230 nan 0.000 0.480 109 S N -1.154 114.505 115.700 -0.069 0.000 2.603 109 S HA 0.017 4.488 4.470 0.001 0.000 0.268 109 S C 0.831 175.399 174.600 -0.053 0.000 1.317 109 S CA -0.467 57.700 58.200 -0.055 0.000 1.012 109 S CB 1.159 64.328 63.200 -0.052 0.000 0.926 109 S HN 0.764 nan 8.310 nan 0.000 0.539 110 E N 0.802 120.976 120.200 -0.043 0.000 2.219 110 E HA -0.247 4.103 4.350 0.001 0.000 0.198 110 E C 0.556 177.132 176.600 -0.040 0.000 0.998 110 E CA 1.685 58.062 56.400 -0.039 0.000 0.818 110 E CB -0.160 29.522 29.700 -0.030 0.000 0.741 110 E HN 0.756 nan 8.360 nan 0.000 0.477 111 D N 0.427 120.802 120.400 -0.042 0.000 2.103 111 D HA -0.103 4.537 4.640 0.001 0.000 0.199 111 D C 1.831 178.100 176.300 -0.051 0.000 0.978 111 D CA 0.867 54.842 54.000 -0.042 0.000 0.829 111 D CB -0.162 40.614 40.800 -0.040 0.000 0.981 111 D HN 0.181 nan 8.370 nan 0.000 0.464 112 K N 0.871 121.234 120.400 -0.062 0.000 1.978 112 K HA -0.082 4.238 4.320 0.001 0.000 0.214 112 K C 2.332 178.882 176.600 -0.083 0.000 1.049 112 K CA 1.423 57.662 56.287 -0.079 0.000 0.939 112 K CB -0.280 32.163 32.500 -0.095 0.000 0.721 112 K HN -0.066 nan 8.250 nan 0.000 0.441 113 S N 1.070 116.721 115.700 -0.081 0.000 2.387 113 S HA -0.167 4.303 4.470 0.001 0.000 0.230 113 S C 1.843 176.406 174.600 -0.062 0.000 1.035 113 S CA 1.223 59.376 58.200 -0.079 0.000 1.014 113 S CB -0.104 63.055 63.200 -0.068 0.000 0.836 113 S HN 0.210 nan 8.310 nan 0.000 0.466 114 K N 1.225 121.595 120.400 -0.050 0.000 2.044 114 K HA 0.074 4.394 4.320 0.001 0.000 0.204 114 K C 2.321 178.899 176.600 -0.037 0.000 1.049 114 K CA 0.841 57.105 56.287 -0.038 0.000 0.945 114 K CB -0.269 32.213 32.500 -0.030 0.000 0.724 114 K HN 0.120 nan 8.250 nan 0.000 0.440 115 R N 1.521 121.996 120.500 -0.041 0.000 2.115 115 R HA -0.169 4.171 4.340 0.001 0.000 0.239 115 R C 2.336 178.612 176.300 -0.039 0.000 1.133 115 R CA 1.724 57.801 56.100 -0.038 0.000 0.935 115 R CB -1.174 29.099 30.300 -0.044 0.000 0.853 115 R HN 0.199 nan 8.270 nan 0.000 0.433 116 L N 1.149 122.336 121.223 -0.059 0.000 1.978 116 L HA -0.242 4.099 4.340 0.001 0.000 0.218 116 L C 1.554 178.402 176.870 -0.036 0.000 1.075 116 L CA 2.286 57.087 54.840 -0.066 0.000 0.767 116 L CB -1.176 40.810 42.059 -0.122 0.000 0.890 116 L HN 0.293 nan 8.230 nan 0.000 0.434 117 N N -0.902 117.774 118.700 -0.041 0.000 2.132 117 N HA -0.180 4.560 4.740 0.001 0.000 0.191 117 N C 1.686 177.188 175.510 -0.015 0.000 1.015 117 N CA 1.899 54.934 53.050 -0.026 0.000 0.864 117 N CB -0.706 37.764 38.487 -0.028 0.000 1.006 117 N HN 0.525 nan 8.380 nan 0.000 0.430 118 T N 1.582 116.127 114.554 -0.015 0.000 2.737 118 T HA -0.014 4.336 4.350 0.001 0.000 0.265 118 T C 1.906 176.605 174.700 -0.002 0.000 1.038 118 T CA 0.686 62.781 62.100 -0.009 0.000 1.144 118 T CB -0.088 68.774 68.868 -0.011 0.000 0.866 118 T HN 0.110 nan 8.240 nan 0.000 0.434 119 I N 1.486 122.058 120.570 0.004 0.000 2.076 119 I HA -0.131 4.040 4.170 0.001 0.000 0.237 119 I C 2.530 178.655 176.117 0.014 0.000 1.059 119 I CA 1.463 62.776 61.300 0.022 0.000 1.317 119 I CB -1.509 36.525 38.000 0.058 0.000 1.037 119 I HN 0.234 nan 8.210 nan 0.000 0.398 120 L N 0.575 121.815 121.223 0.029 0.000 2.103 120 L HA -0.295 4.045 4.340 0.001 0.000 0.215 120 L C 2.481 179.336 176.870 -0.026 0.000 1.080 120 L CA 1.517 56.361 54.840 0.007 0.000 0.764 120 L CB -0.705 41.363 42.059 0.016 0.000 0.890 120 L HN 0.427 nan 8.230 nan 0.000 0.435 121 N N -0.965 117.727 118.700 -0.013 0.000 2.173 121 N HA -0.107 4.634 4.740 0.001 0.000 0.184 121 N C 1.774 177.282 175.510 -0.003 0.000 1.025 121 N CA 1.871 54.916 53.050 -0.009 0.000 0.852 121 N CB -0.078 38.408 38.487 -0.002 0.000 0.998 121 N HN 0.315 nan 8.380 nan 0.000 0.427 122 T N 2.324 116.877 114.554 -0.002 0.000 2.684 122 T HA -0.100 4.250 4.350 0.001 0.000 0.267 122 T C 2.161 176.861 174.700 0.001 0.000 1.036 122 T CA 1.153 63.254 62.100 0.002 0.000 1.148 122 T CB -0.164 68.705 68.868 0.001 0.000 0.863 122 T HN 0.206 nan 8.240 nan 0.000 0.436 123 M N 1.196 120.788 119.600 -0.014 0.000 2.073 123 M HA -0.152 4.329 4.480 0.001 0.000 0.258 123 M C 2.773 179.066 176.300 -0.012 0.000 1.070 123 M CA 1.516 56.802 55.300 -0.024 0.000 1.103 123 M CB -0.859 31.698 32.600 -0.071 0.000 1.321 123 M HN 0.240 nan 8.290 nan 0.000 0.405 124 S N -0.019 115.654 115.700 -0.045 0.000 2.368 124 S HA -0.192 4.278 4.470 0.001 0.000 0.226 124 S C 1.816 176.458 174.600 0.070 0.000 1.044 124 S CA 2.245 60.422 58.200 -0.039 0.000 1.062 124 S CB -0.390 62.784 63.200 -0.043 0.000 0.931 124 S HN 0.525 nan 8.310 nan 0.000 0.440 125 T N 2.799 117.389 114.554 0.060 0.000 2.569 125 T HA -0.063 4.287 4.350 0.001 0.000 0.263 125 T C 1.779 176.539 174.700 0.101 0.000 1.074 125 T CA 1.753 63.901 62.100 0.080 0.000 1.176 125 T CB -0.705 68.192 68.868 0.047 0.000 0.863 125 T HN 0.442 nan 8.240 nan 0.000 0.410 126 I N 0.127 120.735 120.570 0.063 0.000 2.147 126 I HA -0.320 3.851 4.170 0.001 0.000 0.245 126 I C 2.298 178.454 176.117 0.064 0.000 1.059 126 I CA 2.074 63.393 61.300 0.030 0.000 1.320 126 I CB -0.534 37.458 38.000 -0.015 0.000 1.021 126 I HN 0.241 nan 8.210 nan 0.000 0.415 127 Y N 1.980 122.285 120.300 0.008 0.000 2.114 127 Y HA -0.326 4.225 4.550 0.001 0.000 0.284 127 Y C 2.904 178.960 175.900 0.260 0.000 1.143 127 Y CA 2.100 60.266 58.100 0.111 0.000 1.135 127 Y CB -0.401 38.134 38.460 0.125 0.000 0.980 127 Y HN 0.273 nan 8.280 nan 0.000 0.499 128 S N -1.656 114.314 115.700 0.450 0.000 2.402 128 S HA -0.161 4.309 4.470 0.001 0.000 0.229 128 S C 1.788 176.519 174.600 0.219 0.000 1.021 128 S CA 1.401 59.823 58.200 0.369 0.000 0.974 128 S CB -1.169 62.228 63.200 0.328 0.000 0.800 128 S HN 0.654 nan 8.310 nan 0.000 0.484 129 T N -1.046 113.603 114.554 0.159 0.000 3.037 129 T HA 0.343 4.694 4.350 0.001 0.000 0.251 129 T C 1.144 175.892 174.700 0.080 0.000 1.079 129 T CA 0.171 62.334 62.100 0.106 0.000 1.067 129 T CB -0.648 68.266 68.868 0.076 0.000 0.948 129 T HN 0.447 nan 8.240 nan 0.000 0.496 130 G N 2.177 111.011 108.800 0.056 0.000 2.474 130 G HA2 0.401 4.361 3.960 0.001 0.000 0.233 130 G HA3 0.401 4.361 3.960 0.001 0.000 0.233 130 G C -0.573 174.395 174.900 0.113 0.000 1.278 130 G CA -0.543 44.550 45.100 -0.012 0.000 0.861 130 G HN 0.795 nan 8.290 nan 0.000 0.567 131 K N -0.352 120.087 120.400 0.065 0.000 2.570 131 K HA 0.511 4.831 4.320 0.001 0.000 0.256 131 K C -1.025 175.608 176.600 0.056 0.000 0.939 131 K CA -1.009 55.339 56.287 0.102 0.000 0.833 131 K CB 1.667 34.216 32.500 0.080 0.000 1.318 131 K HN 0.606 nan 8.250 nan 0.000 0.433 132 V N -1.315 118.635 119.914 0.060 0.000 2.667 132 V HA 0.761 4.881 4.120 0.001 0.000 0.308 132 V C -0.377 175.782 176.094 0.109 0.000 1.048 132 V CA -0.587 61.723 62.300 0.017 0.000 0.928 132 V CB 1.265 33.014 31.823 -0.124 0.000 1.004 132 V HN 0.971 nan 8.190 nan 0.000 0.444 133 c N 3.231 121.943 118.600 0.186 0.000 2.561 133 c HA 0.488 5.059 4.570 0.001 0.000 0.319 133 c C 0.375 174.742 174.090 0.463 0.000 1.198 133 c CA -0.681 55.813 56.329 0.275 0.000 1.665 133 c CB 1.072 43.678 42.510 0.159 0.000 2.258 133 c HN 1.007 nan 8.230 nan 0.000 0.493 134 N N 2.560 121.505 118.700 0.408 0.000 2.418 134 N HA 0.003 4.743 4.740 0.001 0.000 0.277 134 N C -1.531 174.035 175.510 0.092 0.000 1.317 134 N CA -0.613 52.529 53.050 0.153 0.000 0.922 134 N CB 0.895 39.325 38.487 -0.095 0.000 1.194 134 N HN 0.377 nan 8.380 nan 0.000 0.485 135 P HA -0.160 nan 4.420 nan 0.000 0.216 135 P C 0.131 177.440 177.300 0.015 0.000 1.154 135 P CA 1.487 64.645 63.100 0.097 0.000 0.865 135 P CB 0.092 31.869 31.700 0.129 0.000 0.789 136 D N -3.273 117.094 120.400 -0.053 0.000 2.358 136 D HA 0.023 4.663 4.640 0.001 0.000 0.224 136 D C 0.271 176.541 176.300 -0.050 0.000 1.123 136 D CA -0.113 53.857 54.000 -0.049 0.000 0.833 136 D CB -0.960 39.802 40.800 -0.063 0.000 0.946 136 D HN 0.056 nan 8.370 nan 0.000 0.505 137 N N 0.352 119.027 118.700 -0.041 0.000 2.732 137 N HA 0.091 4.831 4.740 0.001 0.000 0.230 137 N C -2.393 173.125 175.510 0.014 0.000 1.487 137 N CA -0.903 52.134 53.050 -0.022 0.000 0.765 137 N CB 1.198 39.657 38.487 -0.047 0.000 1.384 137 N HN -0.166 nan 8.380 nan 0.000 0.530 138 P HA -0.093 nan 4.420 nan 0.000 0.236 138 P C 1.345 178.676 177.300 0.052 0.000 1.172 138 P CA 0.679 63.812 63.100 0.055 0.000 0.759 138 P CB 0.275 32.002 31.700 0.046 0.000 0.843 139 Q N 0.410 120.232 119.800 0.037 0.000 2.096 139 Q HA -0.169 4.171 4.340 0.001 0.000 0.204 139 Q C 0.601 176.629 176.000 0.046 0.000 0.982 139 Q CA 1.271 57.095 55.803 0.034 0.000 0.850 139 Q CB 0.031 28.783 28.738 0.023 0.000 0.901 139 Q HN 0.267 nan 8.270 nan 0.000 0.422 140 E N -0.179 120.056 120.200 0.057 0.000 2.176 140 E HA 0.310 4.660 4.350 0.001 0.000 0.267 140 E C -1.579 175.091 176.600 0.116 0.000 0.893 140 E CA -0.638 55.806 56.400 0.073 0.000 0.761 140 E CB 1.408 31.145 29.700 0.061 0.000 1.133 140 E HN 0.284 nan 8.360 nan 0.000 0.409 141 c N 3.878 122.544 118.600 0.111 0.000 2.562 141 c HA 0.654 5.224 4.570 0.001 0.000 0.332 141 c C -0.378 173.786 174.090 0.123 0.000 1.201 141 c CA -0.784 55.625 56.329 0.133 0.000 1.803 141 c CB 0.450 43.020 42.510 0.100 0.000 2.328 141 c HN 0.639 nan 8.230 nan 0.000 0.500 142 L N 1.933 123.231 121.223 0.125 0.000 2.365 142 L HA 0.621 4.962 4.340 0.001 0.000 0.273 142 L C -0.996 175.912 176.870 0.065 0.000 1.000 142 L CA -0.525 54.368 54.840 0.089 0.000 0.819 142 L CB 1.184 43.299 42.059 0.094 0.000 1.284 142 L HN 0.417 nan 8.230 nan 0.000 0.418 143 L N 2.146 123.400 121.223 0.051 0.000 2.379 143 L HA 0.271 4.612 4.340 0.001 0.000 0.269 143 L C 0.987 177.829 176.870 -0.046 0.000 1.084 143 L CA -0.367 54.507 54.840 0.056 0.000 0.802 143 L CB 0.434 42.533 42.059 0.068 0.000 1.175 143 L HN 0.465 nan 8.230 nan 0.000 0.448 144 L N 0.703 121.832 121.223 -0.157 0.000 2.051 144 L HA -0.133 4.207 4.340 0.001 0.000 0.214 144 L C 0.796 177.524 176.870 -0.237 0.000 1.076 144 L CA 1.878 56.425 54.840 -0.488 0.000 0.758 144 L CB -0.352 41.158 42.059 -0.916 0.000 0.890 144 L HN 0.848 nan 8.230 nan 0.000 0.433 145 E N -0.830 119.321 120.200 -0.083 0.000 2.199 145 E HA 0.388 4.738 4.350 0.001 0.000 0.265 145 E C -2.266 174.347 176.600 0.022 0.000 0.882 145 E CA -2.446 53.949 56.400 -0.009 0.000 0.759 145 E CB 1.425 31.159 29.700 0.056 0.000 1.148 145 E HN 0.043 nan 8.360 nan 0.000 0.412 146 P HA 0.271 nan 4.420 nan 0.000 0.254 146 P C 0.632 177.927 177.300 -0.009 0.000 1.494 146 P CA -0.103 63.001 63.100 0.005 0.000 0.961 146 P CB 0.885 32.597 31.700 0.021 0.000 1.493 147 G N 0.902 109.691 108.800 -0.019 0.000 2.547 147 G HA2 -0.128 3.833 3.960 0.001 0.000 0.214 147 G HA3 -0.128 3.833 3.960 0.001 0.000 0.214 147 G C 1.165 176.047 174.900 -0.031 0.000 1.254 147 G CA 0.346 45.444 45.100 -0.003 0.000 0.817 147 G HN 0.074 nan 8.290 nan 0.000 0.551 148 L N 1.224 122.377 121.223 -0.116 0.000 1.989 148 L HA -0.078 4.263 4.340 0.001 0.000 0.211 148 L C 2.471 179.234 176.870 -0.178 0.000 1.071 148 L CA 1.567 56.293 54.840 -0.189 0.000 0.749 148 L CB -1.813 40.011 42.059 -0.393 0.000 0.890 148 L HN 0.344 nan 8.230 nan 0.000 0.431 149 N N -0.631 117.946 118.700 -0.206 0.000 2.069 149 N HA -0.254 4.486 4.740 0.001 0.000 0.196 149 N C 1.797 177.274 175.510 -0.055 0.000 1.024 149 N CA 1.330 54.296 53.050 -0.140 0.000 0.869 149 N CB 0.003 38.439 38.487 -0.086 0.000 1.035 149 N HN 0.337 nan 8.380 nan 0.000 0.434 150 E N 0.874 121.058 120.200 -0.027 0.000 2.150 150 E HA -0.110 4.241 4.350 0.001 0.000 0.193 150 E C 1.990 178.602 176.600 0.019 0.000 0.985 150 E CA 0.523 56.927 56.400 0.006 0.000 0.814 150 E CB 0.022 29.733 29.700 0.017 0.000 0.752 150 E HN 0.430 nan 8.360 nan 0.000 0.466 151 I N 0.583 121.164 120.570 0.019 0.000 2.113 151 I HA -0.305 3.865 4.170 0.001 0.000 0.238 151 I C 2.356 178.490 176.117 0.029 0.000 1.070 151 I CA 0.931 62.260 61.300 0.047 0.000 1.332 151 I CB -0.231 37.821 38.000 0.087 0.000 1.044 151 I HN 0.138 nan 8.210 nan 0.000 0.402 152 M N 0.057 119.650 119.600 -0.013 0.000 2.358 152 M HA -0.130 4.351 4.480 0.001 0.000 0.264 152 M C 2.172 178.481 176.300 0.016 0.000 1.064 152 M CA 1.382 56.673 55.300 -0.014 0.000 1.093 152 M CB -1.314 31.238 32.600 -0.080 0.000 1.401 152 M HN 0.314 nan 8.290 nan 0.000 0.440 153 A N -0.891 121.943 122.820 0.024 0.000 2.115 153 A HA 0.069 4.390 4.320 0.001 0.000 0.211 153 A C 1.793 179.407 177.584 0.049 0.000 1.169 153 A CA 0.841 52.904 52.037 0.045 0.000 0.787 153 A CB -0.113 18.914 19.000 0.044 0.000 0.858 153 A HN 0.440 nan 8.150 nan 0.000 0.474 154 N N -1.224 117.503 118.700 0.045 0.000 2.360 154 N HA 0.079 4.819 4.740 0.001 0.000 0.211 154 N C 0.474 176.017 175.510 0.054 0.000 1.147 154 N CA 0.585 53.663 53.050 0.047 0.000 0.866 154 N CB 0.555 39.067 38.487 0.042 0.000 1.206 154 N HN 0.220 nan 8.380 nan 0.000 0.478 155 S N 1.117 116.855 115.700 0.064 0.000 2.510 155 S HA 0.090 4.560 4.470 0.001 0.000 0.279 155 S C 0.704 175.374 174.600 0.116 0.000 1.284 155 S CA -0.305 57.943 58.200 0.081 0.000 1.059 155 S CB 0.192 63.444 63.200 0.087 0.000 0.901 155 S HN 0.081 nan 8.310 nan 0.000 0.491 156 L N 3.719 125.010 121.223 0.114 0.000 2.611 156 L HA 0.344 4.685 4.340 0.001 0.000 0.229 156 L C 0.903 177.944 176.870 0.284 0.000 1.137 156 L CA 0.616 55.550 54.840 0.157 0.000 0.901 156 L CB -1.011 41.055 42.059 0.012 0.000 1.098 156 L HN 0.744 nan 8.230 nan 0.000 0.456 157 D N -1.081 119.441 120.400 0.204 0.000 2.347 157 D HA -0.060 4.580 4.640 0.001 0.000 0.235 157 D C 0.935 177.320 176.300 0.143 0.000 1.149 157 D CA -0.316 53.794 54.000 0.183 0.000 0.850 157 D CB 1.348 42.218 40.800 0.116 0.000 1.061 157 D HN 0.153 nan 8.370 nan 0.000 0.487 158 Y N 5.341 125.613 120.300 -0.047 0.000 2.151 158 Y HA -0.267 4.284 4.550 0.001 0.000 0.284 158 Y C 1.717 177.551 175.900 -0.109 0.000 1.166 158 Y CA 1.774 59.689 58.100 -0.308 0.000 1.163 158 Y CB 0.207 38.217 38.460 -0.750 0.000 0.974 158 Y HN 0.459 nan 8.280 nan 0.000 0.511 159 N N -0.023 118.772 118.700 0.159 0.000 2.250 159 N HA -0.161 4.580 4.740 0.001 0.000 0.181 159 N C 1.838 177.416 175.510 0.115 0.000 1.017 159 N CA 1.198 54.326 53.050 0.130 0.000 0.866 159 N CB -0.350 38.236 38.487 0.166 0.000 0.985 159 N HN 0.566 nan 8.380 nan 0.000 0.429 160 E N 1.818 122.087 120.200 0.115 0.000 2.058 160 E HA -0.155 4.195 4.350 0.001 0.000 0.194 160 E C 1.825 178.564 176.600 0.233 0.000 0.997 160 E CA 0.970 57.475 56.400 0.174 0.000 0.801 160 E CB 0.146 29.917 29.700 0.118 0.000 0.746 160 E HN 0.277 nan 8.360 nan 0.000 0.450 161 R N 0.108 120.673 120.500 0.108 0.000 2.081 161 R HA -0.155 4.186 4.340 0.001 0.000 0.235 161 R C 2.639 178.992 176.300 0.088 0.000 1.131 161 R CA 1.229 57.376 56.100 0.079 0.000 0.960 161 R CB -0.480 29.797 30.300 -0.039 0.000 0.856 161 R HN 0.226 nan 8.270 nan 0.000 0.436 162 L N 0.318 121.506 121.223 -0.058 0.000 2.046 162 L HA -0.162 4.179 4.340 0.001 0.000 0.208 162 L C 2.061 178.969 176.870 0.065 0.000 1.077 162 L CA 1.639 56.309 54.840 -0.284 0.000 0.747 162 L CB -0.587 41.181 42.059 -0.486 0.000 0.896 162 L HN 0.229 nan 8.230 nan 0.000 0.432 163 W N 0.786 122.073 121.300 -0.023 0.000 2.289 163 W HA -0.302 4.359 4.660 0.001 0.000 0.328 163 W C 2.496 179.061 176.519 0.078 0.000 1.241 163 W CA 3.005 60.370 57.345 0.034 0.000 1.221 163 W CB -1.205 28.271 29.460 0.026 0.000 1.175 163 W HN 0.290 nan 8.180 nan 0.000 0.457 164 A N 0.187 122.881 122.820 -0.209 0.000 1.882 164 A HA -0.364 3.957 4.320 0.001 0.000 0.220 164 A C 1.890 179.359 177.584 -0.191 0.000 1.253 164 A CA 2.580 54.363 52.037 -0.424 0.000 0.664 164 A CB -2.066 16.830 19.000 -0.173 0.000 0.838 164 A HN 0.760 nan 8.150 nan 0.000 0.460 165 W N 0.364 121.552 121.300 -0.187 0.000 2.304 165 W HA -0.274 4.387 4.660 0.001 0.000 0.315 165 W C 2.253 178.744 176.519 -0.047 0.000 1.233 165 W CA 2.644 59.920 57.345 -0.116 0.000 1.261 165 W CB -0.079 29.330 29.460 -0.084 0.000 1.150 165 W HN 0.486 nan 8.180 nan 0.000 0.494 166 E N -0.226 120.136 120.200 0.269 0.000 2.112 166 E HA -0.095 4.255 4.350 0.001 0.000 0.190 166 E C 2.140 178.741 176.600 0.001 0.000 0.979 166 E CA 1.885 58.401 56.400 0.194 0.000 0.814 166 E CB -0.516 29.340 29.700 0.260 0.000 0.762 166 E HN 0.159 nan 8.360 nan 0.000 0.460 167 S N 0.806 116.418 115.700 -0.146 0.000 2.365 167 S HA -0.201 4.269 4.470 0.001 0.000 0.221 167 S C 1.614 176.130 174.600 -0.140 0.000 1.037 167 S CA 1.262 59.330 58.200 -0.219 0.000 1.060 167 S CB -1.096 61.760 63.200 -0.573 0.000 0.974 167 S HN 0.555 nan 8.310 nan 0.000 0.427 168 W N 2.638 123.721 121.300 -0.361 0.000 2.304 168 W HA -0.207 4.453 4.660 0.001 0.000 0.315 168 W C 2.186 178.541 176.519 -0.275 0.000 1.233 168 W CA 1.699 58.845 57.345 -0.332 0.000 1.261 168 W CB -0.290 28.923 29.460 -0.412 0.000 1.150 168 W HN 0.274 nan 8.180 nan 0.000 0.494 169 R N -0.501 119.861 120.500 -0.231 0.000 2.236 169 R HA -0.067 4.274 4.340 0.001 0.000 0.208 169 R C 2.486 178.720 176.300 -0.111 0.000 1.036 169 R CA 1.180 57.118 56.100 -0.270 0.000 1.001 169 R CB -0.299 29.780 30.300 -0.368 0.000 0.896 169 R HN -0.054 nan 8.270 nan 0.000 0.464 170 S N -0.211 115.460 115.700 -0.048 0.000 2.486 170 S HA 0.021 4.492 4.470 0.001 0.000 0.220 170 S C 1.079 175.581 174.600 -0.164 0.000 1.011 170 S CA 0.365 58.575 58.200 0.017 0.000 0.921 170 S CB 0.303 63.586 63.200 0.138 0.000 0.785 170 S HN 0.183 nan 8.310 nan 0.000 0.517 171 E N 1.032 121.104 120.200 -0.213 0.000 2.115 171 E HA 0.079 4.430 4.350 0.001 0.000 0.213 171 E C 2.212 178.619 176.600 -0.321 0.000 0.936 171 E CA 1.129 57.387 56.400 -0.236 0.000 0.947 171 E CB -1.394 28.180 29.700 -0.209 0.000 1.169 171 E HN 0.350 nan 8.360 nan 0.000 0.497 172 V N -0.016 119.603 119.914 -0.491 0.000 3.186 172 V HA 0.034 4.155 4.120 0.001 0.000 0.270 172 V C 1.631 177.430 176.094 -0.491 0.000 1.149 172 V CA 1.964 63.927 62.300 -0.561 0.000 1.160 172 V CB -1.093 30.177 31.823 -0.922 0.000 0.758 172 V HN 0.261 nan 8.190 nan 0.000 0.516 173 G N 0.591 109.122 108.800 -0.448 0.000 2.518 173 G HA2 -0.097 3.863 3.960 0.001 0.000 0.213 173 G HA3 -0.097 3.863 3.960 0.001 0.000 0.213 173 G C 1.472 176.242 174.900 -0.218 0.000 1.226 173 G CA 0.546 45.462 45.100 -0.307 0.000 0.822 173 G HN 0.476 nan 8.290 nan 0.000 0.546 174 K N 0.328 120.587 120.400 -0.235 0.000 2.228 174 K HA -0.161 4.159 4.320 0.001 0.000 0.205 174 K C 2.650 179.156 176.600 -0.157 0.000 1.045 174 K CA 1.364 57.511 56.287 -0.233 0.000 0.931 174 K CB -0.111 32.196 32.500 -0.321 0.000 0.727 174 K HN 0.369 nan 8.250 nan 0.000 0.458 175 Q N 0.274 119.978 119.800 -0.160 0.000 2.079 175 Q HA -0.088 4.252 4.340 0.001 0.000 0.200 175 Q C 2.004 177.963 176.000 -0.069 0.000 0.974 175 Q CA 1.084 56.817 55.803 -0.116 0.000 0.840 175 Q CB 0.017 28.674 28.738 -0.136 0.000 0.898 175 Q HN 0.367 nan 8.270 nan 0.000 0.430 176 L N 0.223 121.401 121.223 -0.076 0.000 2.554 176 L HA -0.036 4.304 4.340 0.001 0.000 0.226 176 L C 2.272 179.181 176.870 0.065 0.000 1.137 176 L CA 0.008 54.838 54.840 -0.017 0.000 0.863 176 L CB -0.175 41.852 42.059 -0.055 0.000 0.985 176 L HN 0.077 nan 8.230 nan 0.000 0.451 177 R N 1.502 122.030 120.500 0.045 0.000 2.103 177 R HA -0.149 4.191 4.340 0.001 0.000 0.234 177 R C -0.592 175.822 176.300 0.191 0.000 1.132 177 R CA 2.078 58.265 56.100 0.146 0.000 0.925 177 R CB -1.606 28.735 30.300 0.068 0.000 0.842 177 R HN 0.097 nan 8.270 nan 0.000 0.430 178 P HA -0.133 nan 4.420 nan 0.000 0.214 178 P C 1.238 178.602 177.300 0.107 0.000 1.163 178 P CA 1.280 64.417 63.100 0.063 0.000 0.889 178 P CB -0.110 31.599 31.700 0.016 0.000 0.790 179 L N -2.367 118.919 121.223 0.105 0.000 2.013 179 L HA -0.210 4.131 4.340 0.001 0.000 0.212 179 L C 2.561 179.548 176.870 0.196 0.000 1.073 179 L CA 1.846 56.754 54.840 0.112 0.000 0.753 179 L CB -1.809 40.294 42.059 0.074 0.000 0.890 179 L HN -0.056 nan 8.230 nan 0.000 0.432 180 Y N 0.647 121.034 120.300 0.145 0.000 2.224 180 Y HA -0.243 4.308 4.550 0.001 0.000 0.289 180 Y C 2.495 178.672 175.900 0.460 0.000 1.146 180 Y CA 1.679 59.925 58.100 0.243 0.000 1.182 180 Y CB -0.089 38.477 38.460 0.177 0.000 0.983 180 Y HN 0.340 nan 8.280 nan 0.000 0.524 181 E N -0.389 120.101 120.200 0.484 0.000 2.051 181 E HA -0.258 4.092 4.350 0.001 0.000 0.192 181 E C 2.045 178.738 176.600 0.154 0.000 0.991 181 E CA 1.442 58.040 56.400 0.330 0.000 0.799 181 E CB -0.307 29.404 29.700 0.019 0.000 0.748 181 E HN 0.604 nan 8.360 nan 0.000 0.449 182 E N 0.445 120.705 120.200 0.100 0.000 2.072 182 E HA -0.187 4.163 4.350 0.001 0.000 0.190 182 E C 2.039 178.637 176.600 -0.004 0.000 0.982 182 E CA 0.557 56.972 56.400 0.026 0.000 0.803 182 E CB -0.160 29.551 29.700 0.019 0.000 0.755 182 E HN 0.271 nan 8.360 nan 0.000 0.453 183 Y N 1.032 121.265 120.300 -0.112 0.000 2.102 183 Y HA -0.319 4.232 4.550 0.001 0.000 0.280 183 Y C 1.982 177.727 175.900 -0.258 0.000 1.178 183 Y CA 1.918 59.890 58.100 -0.214 0.000 1.146 183 Y CB -0.504 37.791 38.460 -0.275 0.000 0.968 183 Y HN -0.114 nan 8.280 nan 0.000 0.504 184 V N -0.530 119.277 119.914 -0.178 0.000 2.343 184 V HA -0.317 3.803 4.120 0.001 0.000 0.247 184 V C 2.364 178.349 176.094 -0.181 0.000 1.051 184 V CA 1.683 63.914 62.300 -0.115 0.000 1.036 184 V CB -0.841 31.127 31.823 0.243 0.000 0.654 184 V HN 0.428 nan 8.190 nan 0.000 0.451 185 V N -0.216 119.621 119.914 -0.127 0.000 2.244 185 V HA -0.235 3.885 4.120 0.001 0.000 0.244 185 V C 2.310 178.268 176.094 -0.228 0.000 1.042 185 V CA 2.038 64.258 62.300 -0.133 0.000 1.006 185 V CB -0.595 31.176 31.823 -0.087 0.000 0.641 185 V HN 0.413 nan 8.190 nan 0.000 0.446 186 L N -0.367 120.701 121.223 -0.258 0.000 2.042 186 L HA -0.219 4.122 4.340 0.001 0.000 0.210 186 L C 2.552 179.153 176.870 -0.448 0.000 1.076 186 L CA 1.696 56.359 54.840 -0.295 0.000 0.749 186 L CB -0.569 41.339 42.059 -0.251 0.000 0.893 186 L HN 0.228 nan 8.230 nan 0.000 0.432 187 K N -0.186 119.802 120.400 -0.687 0.000 2.148 187 K HA -0.082 4.238 4.320 0.001 0.000 0.204 187 K C 1.964 178.039 176.600 -0.875 0.000 1.050 187 K CA 0.893 56.553 56.287 -1.045 0.000 0.942 187 K CB -0.109 31.352 32.500 -1.732 0.000 0.724 187 K HN 0.209 nan 8.250 nan 0.000 0.446 188 N N 0.637 118.989 118.700 -0.579 0.000 2.106 188 N HA -0.123 4.617 4.740 0.001 0.000 0.188 188 N C 1.400 176.755 175.510 -0.259 0.000 1.029 188 N CA 1.126 53.964 53.050 -0.354 0.000 0.848 188 N CB 0.036 38.411 38.487 -0.187 0.000 1.007 188 N HN 0.327 nan 8.380 nan 0.000 0.423 189 E N 0.916 120.973 120.200 -0.239 0.000 2.065 189 E HA -0.239 4.111 4.350 0.001 0.000 0.201 189 E C 2.000 178.480 176.600 -0.200 0.000 1.016 189 E CA 0.941 57.230 56.400 -0.186 0.000 0.818 189 E CB -0.196 29.401 29.700 -0.171 0.000 0.749 189 E HN 0.266 nan 8.360 nan 0.000 0.453 190 M N 1.026 120.462 119.600 -0.274 0.000 2.089 190 M HA -0.236 4.244 4.480 0.001 0.000 0.257 190 M C 2.262 178.434 176.300 -0.213 0.000 1.071 190 M CA 2.199 57.333 55.300 -0.277 0.000 1.096 190 M CB -0.576 31.776 32.600 -0.414 0.000 1.330 190 M HN 0.121 nan 8.290 nan 0.000 0.403 191 A N 0.224 122.898 122.820 -0.242 0.000 1.930 191 A HA -0.155 4.165 4.320 0.001 0.000 0.217 191 A C 2.162 179.800 177.584 0.091 0.000 1.175 191 A CA 1.502 53.523 52.037 -0.026 0.000 0.627 191 A CB -0.557 18.404 19.000 -0.065 0.000 0.815 191 A HN 0.636 nan 8.150 nan 0.000 0.443 192 R N -0.537 119.943 120.500 -0.034 0.000 2.075 192 R HA -0.031 4.309 4.340 0.001 0.000 0.232 192 R C 2.433 178.659 176.300 -0.122 0.000 1.126 192 R CA 1.150 57.223 56.100 -0.045 0.000 0.963 192 R CB -0.470 29.791 30.300 -0.066 0.000 0.858 192 R HN 0.481 nan 8.270 nan 0.000 0.435 193 A N 1.301 124.032 122.820 -0.147 0.000 2.019 193 A HA -0.132 4.188 4.320 0.001 0.000 0.219 193 A C 1.332 178.728 177.584 -0.314 0.000 1.164 193 A CA 1.232 53.139 52.037 -0.218 0.000 0.644 193 A CB -0.456 18.450 19.000 -0.157 0.000 0.805 193 A HN 0.401 nan 8.150 nan 0.000 0.449 194 N N -1.250 117.354 118.700 -0.160 0.000 2.313 194 N HA 0.177 4.918 4.740 0.001 0.000 0.207 194 N C -0.757 174.635 175.510 -0.196 0.000 1.141 194 N CA 0.049 53.045 53.050 -0.090 0.000 0.830 194 N CB 0.002 38.612 38.487 0.204 0.000 1.008 194 N HN 0.638 nan 8.380 nan 0.000 0.481 195 H N -2.124 116.855 119.070 -0.151 0.000 2.941 195 H HA -0.181 4.375 4.556 0.001 0.000 0.279 195 H C -1.127 174.001 175.328 -0.333 0.000 1.247 195 H CA 0.515 56.426 56.048 -0.228 0.000 1.129 195 H CB -2.212 27.402 29.762 -0.246 0.000 1.313 195 H HN 0.311 nan 8.280 nan 0.000 0.384 196 Y N 0.070 120.422 120.300 0.087 0.000 2.420 196 Y HA 0.224 4.774 4.550 0.001 0.000 0.334 196 Y C 1.780 177.697 175.900 0.028 0.000 1.094 196 Y CA -0.811 57.332 58.100 0.072 0.000 1.126 196 Y CB 0.933 39.461 38.460 0.113 0.000 1.217 196 Y HN 0.144 nan 8.280 nan 0.000 0.462 197 E N 1.189 121.500 120.200 0.184 0.000 2.070 197 E HA -0.165 4.185 4.350 0.001 0.000 0.197 197 E C -0.375 176.271 176.600 0.076 0.000 1.004 197 E CA 1.816 58.273 56.400 0.095 0.000 0.805 197 E CB 0.073 29.814 29.700 0.069 0.000 0.744 197 E HN 0.746 nan 8.360 nan 0.000 0.451 198 D N -2.823 117.626 120.400 0.082 0.000 2.779 198 D HA -0.040 4.600 4.640 0.001 0.000 0.331 198 D C 0.260 176.531 176.300 -0.048 0.000 1.331 198 D CA -0.632 53.380 54.000 0.021 0.000 0.866 198 D CB 0.043 40.871 40.800 0.047 0.000 1.409 198 D HN -0.172 nan 8.370 nan 0.000 0.486 199 Y N 1.043 121.095 120.300 -0.413 0.000 2.181 199 Y HA 0.023 4.573 4.550 0.001 0.000 0.288 199 Y C 2.352 177.854 175.900 -0.663 0.000 1.146 199 Y CA 2.375 60.014 58.100 -0.769 0.000 1.164 199 Y CB -0.770 36.851 38.460 -1.398 0.000 0.982 199 Y HN 0.625 nan 8.280 nan 0.000 0.515 200 G N -0.234 108.323 108.800 -0.406 0.000 2.491 200 G HA2 -0.395 3.565 3.960 0.001 0.000 0.218 200 G HA3 -0.395 3.565 3.960 0.001 0.000 0.218 200 G C 1.467 176.208 174.900 -0.265 0.000 1.180 200 G CA 1.322 46.311 45.100 -0.185 0.000 0.774 200 G HN 0.444 nan 8.290 nan 0.000 0.562 201 D N -0.987 119.302 120.400 -0.186 0.000 2.133 201 D HA -0.179 4.461 4.640 0.001 0.000 0.195 201 D C 1.969 178.128 176.300 -0.235 0.000 0.997 201 D CA 0.963 54.890 54.000 -0.122 0.000 0.840 201 D CB -0.287 40.544 40.800 0.051 0.000 0.947 201 D HN 0.357 nan 8.370 nan 0.000 0.452 202 Y N -0.078 119.869 120.300 -0.588 0.000 1.993 202 Y HA -0.289 4.262 4.550 0.001 0.000 0.267 202 Y C 2.050 177.698 175.900 -0.420 0.000 1.155 202 Y CA 2.205 59.744 58.100 -0.935 0.000 1.105 202 Y CB -0.628 37.405 38.460 -0.711 0.000 0.960 202 Y HN 0.097 nan 8.280 nan 0.000 0.486 203 W N 0.767 121.883 121.300 -0.306 0.000 2.318 203 W HA -0.192 4.468 4.660 0.001 0.000 0.313 203 W C 2.567 179.028 176.519 -0.097 0.000 1.221 203 W CA 1.892 59.120 57.345 -0.194 0.000 1.266 203 W CB -1.164 28.241 29.460 -0.092 0.000 1.150 203 W HN 0.157 nan 8.180 nan 0.000 0.496 204 R N -0.356 120.222 120.500 0.131 0.000 2.200 204 R HA -0.122 4.219 4.340 0.001 0.000 0.234 204 R C 2.417 178.807 176.300 0.149 0.000 1.127 204 R CA 1.140 57.308 56.100 0.113 0.000 0.989 204 R CB -1.068 29.146 30.300 -0.144 0.000 0.869 204 R HN 0.230 nan 8.270 nan 0.000 0.459 205 G N 1.438 110.236 108.800 -0.004 0.000 2.476 205 G HA2 -0.392 3.568 3.960 0.001 0.000 0.218 205 G HA3 -0.392 3.568 3.960 0.001 0.000 0.218 205 G C 0.930 175.837 174.900 0.012 0.000 1.164 205 G CA 1.331 46.424 45.100 -0.012 0.000 0.768 205 G HN 0.360 nan 8.290 nan 0.000 0.560 206 D N -0.638 119.715 120.400 -0.078 0.000 2.244 206 D HA -0.213 4.428 4.640 0.001 0.000 0.197 206 D C 1.837 177.979 176.300 -0.264 0.000 1.006 206 D CA 1.162 55.037 54.000 -0.207 0.000 0.888 206 D CB -0.195 40.399 40.800 -0.342 0.000 0.912 206 D HN 0.535 nan 8.370 nan 0.000 0.452 207 Y N 0.146 120.472 120.300 0.044 0.000 2.511 207 Y HA 0.188 4.738 4.550 0.001 0.000 0.279 207 Y C 0.874 177.003 175.900 0.381 0.000 1.157 207 Y CA 0.035 58.182 58.100 0.079 0.000 1.300 207 Y CB -0.089 38.390 38.460 0.031 0.000 1.052 207 Y HN 0.001 nan 8.280 nan 0.000 0.529 208 E N 0.980 121.419 120.200 0.399 0.000 2.398 208 E HA 0.296 4.646 4.350 0.001 0.000 0.263 208 E C -1.166 175.631 176.600 0.328 0.000 1.046 208 E CA -0.054 56.575 56.400 0.381 0.000 0.908 208 E CB 0.760 30.605 29.700 0.240 0.000 0.963 208 E HN -0.108 nan 8.360 nan 0.000 0.431 209 V N 4.452 124.545 119.914 0.299 0.000 2.733 209 V HA 0.318 4.439 4.120 0.001 0.000 0.306 209 V C -0.898 175.277 176.094 0.134 0.000 1.084 209 V CA -1.045 61.372 62.300 0.194 0.000 0.905 209 V CB 2.097 34.026 31.823 0.177 0.000 1.010 209 V HN 0.708 nan 8.190 nan 0.000 0.424 210 N N 2.932 121.684 118.700 0.087 0.000 2.354 210 N HA 0.610 5.350 4.740 0.001 0.000 0.287 210 N C 0.241 175.775 175.510 0.039 0.000 1.016 210 N CA 0.272 53.358 53.050 0.059 0.000 0.871 210 N CB 2.093 40.606 38.487 0.045 0.000 1.299 210 N HN 1.182 nan 8.380 nan 0.000 0.482 211 G N 0.708 109.531 108.800 0.038 0.000 2.788 211 G HA2 -0.094 3.866 3.960 0.001 0.000 0.249 211 G HA3 -0.094 3.866 3.960 0.001 0.000 0.249 211 G C 0.321 175.233 174.900 0.021 0.000 1.008 211 G CA 0.239 45.354 45.100 0.025 0.000 1.220 211 G HN 0.786 nan 8.290 nan 0.000 0.506 212 V N -2.817 117.122 119.914 0.041 0.000 3.210 212 V HA 0.263 4.383 4.120 0.001 0.000 0.251 212 V C 0.160 176.328 176.094 0.122 0.000 1.795 212 V CA 0.659 62.983 62.300 0.041 0.000 0.999 212 V CB -0.446 31.372 31.823 -0.009 0.000 0.941 212 V HN 1.402 nan 8.190 nan 0.000 0.358 213 D N 0.922 121.400 120.400 0.131 0.000 7.414 213 D HA 0.121 4.761 4.640 0.001 0.000 0.249 213 D C 1.162 177.546 176.300 0.141 0.000 2.075 213 D CA 1.825 55.894 54.000 0.115 0.000 1.907 213 D CB -1.145 39.705 40.800 0.084 0.000 0.774 213 D HN 1.550 nan 8.370 nan 0.000 0.482 214 G N 1.678 110.497 108.800 0.031 0.000 2.507 214 G HA2 -0.457 3.503 3.960 0.001 0.000 0.240 214 G HA3 -0.457 3.503 3.960 0.001 0.000 0.240 214 G C 0.806 175.594 174.900 -0.186 0.000 1.119 214 G CA 0.764 45.802 45.100 -0.103 0.000 0.664 214 G HN 0.527 nan 8.290 nan 0.000 0.516 215 Y N 2.148 122.424 120.300 -0.040 0.000 2.490 215 Y HA 0.363 4.913 4.550 0.001 0.000 0.281 215 Y C 1.163 177.033 175.900 -0.050 0.000 1.174 215 Y CA -0.011 58.037 58.100 -0.087 0.000 1.295 215 Y CB 0.106 38.505 38.460 -0.102 0.000 1.062 215 Y HN 0.209 nan 8.280 nan 0.000 0.522 216 D N -0.268 120.211 120.400 0.131 0.000 2.372 216 D HA 0.140 4.780 4.640 0.001 0.000 0.243 216 D C -1.013 175.400 176.300 0.188 0.000 1.121 216 D CA 0.647 54.724 54.000 0.129 0.000 0.898 216 D CB 0.547 41.396 40.800 0.083 0.000 1.202 216 D HN 0.089 nan 8.370 nan 0.000 0.428 217 Y N -0.032 120.320 120.300 0.086 0.000 2.552 217 Y HA 0.400 4.950 4.550 0.001 0.000 0.337 217 Y C -0.898 175.106 175.900 0.173 0.000 1.094 217 Y CA -0.656 57.538 58.100 0.156 0.000 1.028 217 Y CB 1.567 40.202 38.460 0.291 0.000 1.321 217 Y HN 0.451 nan 8.280 nan 0.000 0.456 218 S N 2.999 118.702 115.700 0.005 0.000 2.568 218 S HA 0.538 5.008 4.470 0.001 0.000 0.293 218 S C 0.210 174.884 174.600 0.124 0.000 1.089 218 S CA -1.095 57.146 58.200 0.068 0.000 0.945 218 S CB 2.375 65.555 63.200 -0.034 0.000 1.077 218 S HN 0.819 nan 8.310 nan 0.000 0.485 219 R N 0.779 121.357 120.500 0.130 0.000 2.200 219 R HA -0.034 4.306 4.340 0.001 0.000 0.234 219 R C 2.106 178.402 176.300 -0.006 0.000 1.127 219 R CA 1.382 57.538 56.100 0.094 0.000 0.989 219 R CB -0.774 29.576 30.300 0.084 0.000 0.869 219 R HN 0.836 nan 8.270 nan 0.000 0.459 220 G N 0.537 109.325 108.800 -0.020 0.000 2.424 220 G HA2 -0.266 3.694 3.960 0.001 0.000 0.214 220 G HA3 -0.266 3.694 3.960 0.001 0.000 0.214 220 G C 1.217 176.078 174.900 -0.064 0.000 1.202 220 G CA -0.039 45.030 45.100 -0.052 0.000 0.793 220 G HN 0.254 nan 8.290 nan 0.000 0.534 221 Q N -0.377 119.345 119.800 -0.131 0.000 2.508 221 Q HA -0.005 4.336 4.340 0.001 0.000 0.214 221 Q C 2.244 178.204 176.000 -0.068 0.000 0.979 221 Q CA 0.185 55.851 55.803 -0.228 0.000 0.911 221 Q CB -0.100 28.301 28.738 -0.562 0.000 0.969 221 Q HN 0.419 nan 8.270 nan 0.000 0.504 222 L N 0.344 121.628 121.223 0.102 0.000 1.937 222 L HA -0.207 4.134 4.340 0.001 0.000 0.213 222 L C 1.963 178.899 176.870 0.110 0.000 1.077 222 L CA 1.722 56.676 54.840 0.189 0.000 0.758 222 L CB -0.574 41.537 42.059 0.087 0.000 0.888 222 L HN 0.228 nan 8.230 nan 0.000 0.433 223 I N -0.205 120.402 120.570 0.062 0.000 2.113 223 I HA -0.419 3.751 4.170 0.001 0.000 0.242 223 I C 2.525 178.714 176.117 0.119 0.000 1.057 223 I CA 2.055 63.461 61.300 0.176 0.000 1.314 223 I CB -0.708 37.365 38.000 0.122 0.000 1.022 223 I HN 0.519 nan 8.210 nan 0.000 0.408 224 E N 1.284 121.527 120.200 0.073 0.000 2.048 224 E HA -0.309 4.041 4.350 0.001 0.000 0.202 224 E C 1.688 178.342 176.600 0.091 0.000 1.021 224 E CA 2.391 58.831 56.400 0.066 0.000 0.825 224 E CB -0.051 29.658 29.700 0.015 0.000 0.756 224 E HN 0.496 nan 8.360 nan 0.000 0.454 225 D N -0.350 120.111 120.400 0.102 0.000 2.097 225 D HA -0.131 4.510 4.640 0.001 0.000 0.197 225 D C 2.080 178.460 176.300 0.135 0.000 0.984 225 D CA 1.553 55.641 54.000 0.147 0.000 0.826 225 D CB -0.121 40.825 40.800 0.244 0.000 0.973 225 D HN 0.092 nan 8.370 nan 0.000 0.460 226 V N 1.103 121.040 119.914 0.039 0.000 2.278 226 V HA -0.307 3.814 4.120 0.001 0.000 0.251 226 V C 2.119 178.067 176.094 -0.244 0.000 1.062 226 V CA 1.970 64.159 62.300 -0.184 0.000 1.038 226 V CB -0.570 31.073 31.823 -0.301 0.000 0.646 226 V HN 0.274 nan 8.190 nan 0.000 0.447 227 E N -1.075 119.040 120.200 -0.141 0.000 2.107 227 E HA -0.193 4.157 4.350 0.001 0.000 0.191 227 E C 2.266 178.926 176.600 0.100 0.000 0.982 227 E CA 1.020 57.351 56.400 -0.115 0.000 0.809 227 E CB -0.292 29.410 29.700 0.003 0.000 0.756 227 E HN 0.732 nan 8.360 nan 0.000 0.459 228 H N 0.912 120.012 119.070 0.050 0.000 2.353 228 H HA -0.098 4.458 4.556 0.001 0.000 0.300 228 H C 2.192 177.574 175.328 0.090 0.000 1.090 228 H CA 1.927 58.019 56.048 0.074 0.000 1.327 228 H CB -0.073 29.731 29.762 0.069 0.000 1.383 228 H HN 0.100 nan 8.280 nan 0.000 0.508 229 T N -0.178 114.550 114.554 0.290 0.000 2.759 229 T HA -0.198 4.152 4.350 0.001 0.000 0.269 229 T C 1.825 176.631 174.700 0.177 0.000 1.042 229 T CA 1.484 63.729 62.100 0.240 0.000 1.140 229 T CB -0.726 68.330 68.868 0.314 0.000 0.864 229 T HN 0.330 nan 8.240 nan 0.000 0.455 230 F N 1.583 121.552 119.950 0.032 0.000 2.259 230 F HA 0.129 4.656 4.527 0.001 0.000 0.298 230 F C 2.200 177.997 175.800 -0.005 0.000 1.088 230 F CA 0.964 58.979 58.000 0.024 0.000 1.358 230 F CB -0.260 38.640 39.000 -0.166 0.000 1.040 230 F HN 0.087 nan 8.300 nan 0.000 0.505 231 E N 0.981 121.114 120.200 -0.112 0.000 2.033 231 E HA -0.254 4.096 4.350 0.001 0.000 0.199 231 E C 1.891 178.353 176.600 -0.231 0.000 1.011 231 E CA 1.786 58.069 56.400 -0.195 0.000 0.815 231 E CB -0.688 28.930 29.700 -0.138 0.000 0.755 231 E HN 0.568 nan 8.360 nan 0.000 0.451 232 E N -0.109 119.970 120.200 -0.201 0.000 2.533 232 E HA -0.087 4.264 4.350 0.001 0.000 0.203 232 E C 1.568 178.073 176.600 -0.160 0.000 1.101 232 E CA 0.068 56.371 56.400 -0.162 0.000 0.894 232 E CB -0.084 29.535 29.700 -0.136 0.000 0.843 232 E HN 0.315 nan 8.360 nan 0.000 0.552 233 I N 0.088 120.523 120.570 -0.225 0.000 3.790 233 I HA -0.098 4.073 4.170 0.001 0.000 0.305 233 I C 1.887 177.902 176.117 -0.170 0.000 1.253 233 I CA -0.059 61.118 61.300 -0.204 0.000 1.355 233 I CB 0.112 37.992 38.000 -0.201 0.000 1.137 233 I HN -0.057 nan 8.210 nan 0.000 0.435 234 K N 1.494 121.732 120.400 -0.270 0.000 2.032 234 K HA -0.201 4.120 4.320 0.001 0.000 0.218 234 K C -0.454 176.190 176.600 0.074 0.000 1.054 234 K CA 1.837 58.066 56.287 -0.096 0.000 0.941 234 K CB -2.019 30.398 32.500 -0.138 0.000 0.720 234 K HN 0.269 nan 8.250 nan 0.000 0.449 235 P HA -0.168 nan 4.420 nan 0.000 0.214 235 P C 1.674 179.250 177.300 0.459 0.000 1.163 235 P CA 0.852 64.106 63.100 0.257 0.000 0.883 235 P CB -0.081 31.776 31.700 0.261 0.000 0.788 236 L N -1.484 119.955 121.223 0.360 0.000 2.043 236 L HA -0.206 4.135 4.340 0.001 0.000 0.212 236 L C 2.374 179.444 176.870 0.334 0.000 1.075 236 L CA 1.921 57.011 54.840 0.415 0.000 0.752 236 L CB -1.610 40.532 42.059 0.139 0.000 0.891 236 L HN -0.056 nan 8.230 nan 0.000 0.432 237 Y N 0.338 120.717 120.300 0.132 0.000 2.243 237 Y HA -0.119 4.431 4.550 0.001 0.000 0.293 237 Y C 2.419 178.483 175.900 0.274 0.000 1.124 237 Y CA 1.837 60.020 58.100 0.140 0.000 1.159 237 Y CB -0.268 38.246 38.460 0.090 0.000 1.008 237 Y HN 0.360 nan 8.280 nan 0.000 0.527 238 E N -0.844 119.433 120.200 0.129 0.000 2.097 238 E HA -0.277 4.073 4.350 0.001 0.000 0.196 238 E C 2.077 178.651 176.600 -0.043 0.000 1.000 238 E CA 1.502 57.902 56.400 0.000 0.000 0.804 238 E CB -0.268 29.355 29.700 -0.129 0.000 0.740 238 E HN 0.624 nan 8.360 nan 0.000 0.454 239 H N 0.092 119.181 119.070 0.032 0.000 2.333 239 H HA -0.061 4.495 4.556 0.001 0.000 0.302 239 H C 2.329 177.708 175.328 0.085 0.000 1.075 239 H CA 0.768 56.821 56.048 0.008 0.000 1.348 239 H CB -0.153 29.562 29.762 -0.078 0.000 1.393 239 H HN 0.156 nan 8.280 nan 0.000 0.509 240 L N 1.009 122.369 121.223 0.228 0.000 2.013 240 L HA -0.247 4.093 4.340 0.001 0.000 0.212 240 L C 2.468 179.516 176.870 0.296 0.000 1.073 240 L CA 1.786 56.776 54.840 0.249 0.000 0.753 240 L CB -0.869 41.300 42.059 0.183 0.000 0.890 240 L HN 0.403 nan 8.230 nan 0.000 0.432 241 H N 0.119 119.214 119.070 0.042 0.000 2.254 241 H HA -0.208 4.348 4.556 0.001 0.000 0.294 241 H C 2.050 177.424 175.328 0.077 0.000 1.071 241 H CA 2.129 58.215 56.048 0.063 0.000 1.228 241 H CB 0.032 29.740 29.762 -0.090 0.000 1.358 241 H HN 0.418 nan 8.280 nan 0.000 0.495 242 A N 0.683 123.651 122.820 0.246 0.000 1.915 242 A HA -0.305 4.015 4.320 0.001 0.000 0.220 242 A C 2.457 180.103 177.584 0.103 0.000 1.198 242 A CA 2.214 54.328 52.037 0.128 0.000 0.647 242 A CB -1.538 17.440 19.000 -0.036 0.000 0.825 242 A HN 0.702 nan 8.150 nan 0.000 0.456 243 Y N 0.816 121.116 120.300 0.000 0.000 2.060 243 Y HA -0.193 4.358 4.550 0.001 0.000 0.276 243 Y C 2.678 178.553 175.900 -0.041 0.000 1.127 243 Y CA 2.472 60.560 58.100 -0.020 0.000 1.104 243 Y CB -0.950 37.530 38.460 0.033 0.000 0.983 243 Y HN 0.298 nan 8.280 nan 0.000 0.483 244 V N 0.933 120.774 119.914 -0.122 0.000 2.453 244 V HA -0.289 3.831 4.120 0.001 0.000 0.252 244 V C 2.403 178.301 176.094 -0.328 0.000 1.068 244 V CA 2.434 64.545 62.300 -0.315 0.000 1.070 244 V CB -0.972 30.741 31.823 -0.184 0.000 0.664 244 V HN 0.509 nan 8.190 nan 0.000 0.461 245 R N 0.771 121.104 120.500 -0.278 0.000 2.075 245 R HA -0.086 4.255 4.340 0.001 0.000 0.230 245 R C 2.485 178.680 176.300 -0.175 0.000 1.140 245 R CA 2.078 58.035 56.100 -0.238 0.000 0.928 245 R CB -0.998 29.202 30.300 -0.166 0.000 0.834 245 R HN 0.561 nan 8.270 nan 0.000 0.429 246 A N 1.614 124.350 122.820 -0.141 0.000 1.903 246 A HA -0.248 4.072 4.320 0.001 0.000 0.219 246 A C 2.069 179.544 177.584 -0.181 0.000 1.191 246 A CA 1.991 53.951 52.037 -0.129 0.000 0.638 246 A CB -0.611 18.332 19.000 -0.094 0.000 0.823 246 A HN 0.301 nan 8.150 nan 0.000 0.451 247 K N -0.454 119.771 120.400 -0.291 0.000 2.063 247 K HA -0.079 4.241 4.320 0.001 0.000 0.208 247 K C 1.881 178.347 176.600 -0.223 0.000 1.048 247 K CA 1.387 57.486 56.287 -0.312 0.000 0.928 247 K CB -0.689 31.518 32.500 -0.489 0.000 0.713 247 K HN 0.595 nan 8.250 nan 0.000 0.442 248 L N 0.395 121.500 121.223 -0.198 0.000 2.291 248 L HA -0.053 4.287 4.340 0.001 0.000 0.214 248 L C 2.440 179.290 176.870 -0.034 0.000 1.120 248 L CA 0.482 55.258 54.840 -0.107 0.000 0.799 248 L CB -0.278 41.728 42.059 -0.088 0.000 0.925 248 L HN 0.183 nan 8.230 nan 0.000 0.446 249 M N -0.507 119.054 119.600 -0.066 0.000 2.159 249 M HA -0.171 4.310 4.480 0.001 0.000 0.263 249 M C 1.801 178.081 176.300 -0.035 0.000 1.063 249 M CA 1.460 56.742 55.300 -0.030 0.000 1.110 249 M CB -0.515 32.048 32.600 -0.061 0.000 1.374 249 M HN 0.347 nan 8.290 nan 0.000 0.411 250 N N 0.933 119.583 118.700 -0.084 0.000 2.216 250 N HA -0.039 4.701 4.740 0.001 0.000 0.183 250 N C 1.806 177.237 175.510 -0.132 0.000 1.017 250 N CA 1.530 54.524 53.050 -0.095 0.000 0.861 250 N CB -0.386 38.036 38.487 -0.108 0.000 0.986 250 N HN 0.311 nan 8.380 nan 0.000 0.428 251 A N 0.552 123.244 122.820 -0.214 0.000 1.902 251 A HA -0.097 4.223 4.320 0.001 0.000 0.217 251 A C 0.205 177.463 177.584 -0.543 0.000 1.181 251 A CA 1.114 52.890 52.037 -0.435 0.000 0.623 251 A CB -0.453 18.186 19.000 -0.602 0.000 0.818 251 A HN 0.322 nan 8.150 nan 0.000 0.443 252 Y N -0.284 120.031 120.300 0.026 0.000 2.747 252 Y HA 0.373 4.923 4.550 0.001 0.000 0.362 252 Y C -2.717 173.286 175.900 0.172 0.000 1.026 252 Y CA -3.461 54.719 58.100 0.133 0.000 1.135 252 Y CB 0.107 38.639 38.460 0.120 0.000 1.175 252 Y HN 0.122 nan 8.280 nan 0.000 0.643 253 P HA 0.006 nan 4.420 nan 0.000 0.266 253 P C 0.904 178.215 177.300 0.019 0.000 1.195 253 P CA 1.326 64.463 63.100 0.062 0.000 0.768 253 P CB 1.377 33.079 31.700 0.004 0.000 0.838 254 S N 1.150 116.825 115.700 -0.042 0.000 1.630 254 S HA -0.327 4.143 4.470 0.001 0.000 0.242 254 S C 1.269 175.785 174.600 -0.140 0.000 0.845 254 S CA 1.157 59.267 58.200 -0.150 0.000 1.337 254 S CB -2.828 60.198 63.200 -0.291 0.000 1.633 254 S HN 0.348 nan 8.310 nan 0.000 0.521 255 Y N 2.132 122.412 120.300 -0.034 0.000 2.509 255 Y HA 0.507 5.057 4.550 0.001 0.000 0.293 255 Y C 1.422 177.417 175.900 0.159 0.000 1.133 255 Y CA 0.883 58.960 58.100 -0.038 0.000 1.283 255 Y CB 0.040 38.363 38.460 -0.228 0.000 1.001 255 Y HN 0.448 nan 8.280 nan 0.000 0.555 256 I N -1.201 119.503 120.570 0.223 0.000 2.603 256 I HA 0.235 4.405 4.170 0.001 0.000 0.300 256 I C -0.099 175.882 176.117 -0.226 0.000 1.017 256 I CA -0.920 60.431 61.300 0.084 0.000 1.098 256 I CB 1.915 39.939 38.000 0.040 0.000 1.279 256 I HN -0.299 nan 8.210 nan 0.000 0.437 257 S N 4.944 120.203 115.700 -0.735 0.000 2.462 257 S HA 0.425 4.896 4.470 0.001 0.000 0.294 257 S C -1.893 172.432 174.600 -0.459 0.000 1.144 257 S CA -1.591 56.130 58.200 -0.798 0.000 1.088 257 S CB 1.334 63.589 63.200 -1.575 0.000 1.009 257 S HN 0.311 nan 8.310 nan 0.000 0.484 258 P HA -0.096 nan 4.420 nan 0.000 0.217 258 P C 0.959 178.249 177.300 -0.017 0.000 1.148 258 P CA 1.229 64.257 63.100 -0.120 0.000 0.828 258 P CB -0.122 31.508 31.700 -0.116 0.000 0.783 259 I N -6.197 114.306 120.570 -0.112 0.000 4.057 259 I HA 0.387 4.557 4.170 0.001 0.000 0.334 259 I C 0.997 177.189 176.117 0.124 0.000 1.308 259 I CA -0.247 61.091 61.300 0.064 0.000 1.125 259 I CB -0.082 37.759 38.000 -0.264 0.000 1.034 259 I HN -0.275 nan 8.210 nan 0.000 0.401 260 G N 0.472 109.189 108.800 -0.137 0.000 2.502 260 G HA2 0.426 4.386 3.960 0.001 0.000 0.305 260 G HA3 0.426 4.386 3.960 0.001 0.000 0.305 260 G C -0.287 174.724 174.900 0.185 0.000 1.190 260 G CA -0.392 44.663 45.100 -0.075 0.000 0.933 260 G HN 0.287 nan 8.290 nan 0.000 0.503 261 C N -1.109 118.409 119.300 0.363 0.000 2.713 261 C HA 0.296 4.756 4.460 0.001 0.000 0.330 261 C C 0.757 175.882 174.990 0.227 0.000 1.416 261 C CA -0.345 58.815 59.018 0.235 0.000 2.351 261 C CB -0.348 27.475 27.740 0.138 0.000 2.388 261 C HN 0.441 nan 8.230 nan 0.000 0.729 262 L N 2.478 123.749 121.223 0.080 0.000 2.264 262 L HA 0.287 4.628 4.340 0.001 0.000 0.289 262 L C -2.208 174.638 176.870 -0.040 0.000 1.044 262 L CA -1.431 53.385 54.840 -0.040 0.000 0.807 262 L CB 0.728 42.641 42.059 -0.244 0.000 1.192 262 L HN 0.377 nan 8.230 nan 0.000 0.425 263 P HA -0.061 nan 4.420 nan 0.000 0.258 263 P C 0.385 177.524 177.300 -0.268 0.000 1.187 263 P CA 0.201 63.218 63.100 -0.140 0.000 0.767 263 P CB 0.926 32.531 31.700 -0.158 0.000 0.770 264 A N 4.649 127.341 122.820 -0.213 0.000 2.024 264 A HA -0.223 4.097 4.320 0.001 0.000 0.220 264 A C 1.684 179.093 177.584 -0.291 0.000 1.164 264 A CA 1.525 53.476 52.037 -0.144 0.000 0.643 264 A CB -1.252 17.811 19.000 0.105 0.000 0.806 264 A HN 0.720 nan 8.150 nan 0.000 0.451 265 H N -0.973 117.635 119.070 -0.771 0.000 2.551 265 H HA 0.200 4.756 4.556 0.001 0.000 0.266 265 H C 0.810 175.898 175.328 -0.400 0.000 0.977 265 H CA 0.549 56.222 56.048 -0.626 0.000 1.163 265 H CB -0.540 28.763 29.762 -0.766 0.000 1.381 265 H HN 0.450 nan 8.280 nan 0.000 0.581 266 L N 1.181 121.939 121.223 -0.776 0.000 2.912 266 L HA 0.245 4.586 4.340 0.001 0.000 0.240 266 L C 0.831 177.500 176.870 -0.335 0.000 1.262 266 L CA -0.030 54.429 54.840 -0.636 0.000 1.058 266 L CB 0.265 41.843 42.059 -0.800 0.000 1.383 266 L HN 0.113 nan 8.230 nan 0.000 0.512 267 L N -0.282 120.803 121.223 -0.230 0.000 2.857 267 L HA 0.369 4.710 4.340 0.001 0.000 0.249 267 L C 1.474 178.322 176.870 -0.036 0.000 1.172 267 L CA 0.337 55.051 54.840 -0.209 0.000 0.980 267 L CB 0.486 42.461 42.059 -0.140 0.000 1.299 267 L HN 0.474 nan 8.230 nan 0.000 0.535 268 G N 0.587 109.393 108.800 0.010 0.000 2.317 268 G HA2 -0.285 3.675 3.960 0.001 0.000 0.227 268 G HA3 -0.285 3.675 3.960 0.001 0.000 0.227 268 G C -0.062 174.910 174.900 0.119 0.000 1.042 268 G CA 0.325 45.480 45.100 0.090 0.000 0.623 268 G HN 0.522 nan 8.290 nan 0.000 0.509 269 D N -2.212 118.273 120.400 0.142 0.000 2.759 269 D HA 0.590 5.230 4.640 0.001 0.000 0.321 269 D C 0.926 177.265 176.300 0.066 0.000 1.267 269 D CA -0.329 53.753 54.000 0.136 0.000 0.933 269 D CB -0.147 40.816 40.800 0.273 0.000 1.431 269 D HN 0.115 nan 8.370 nan 0.000 0.504 270 M N -0.459 119.025 119.600 -0.192 0.000 2.530 270 M HA 0.125 4.606 4.480 0.001 0.000 0.261 270 M C -0.212 175.738 176.300 -0.582 0.000 1.067 270 M CA 1.457 56.323 55.300 -0.723 0.000 1.071 270 M CB -0.444 31.133 32.600 -1.705 0.000 1.405 270 M HN 0.580 nan 8.290 nan 0.000 0.478 271 W N -2.729 118.694 121.300 0.205 0.000 2.576 271 W HA 0.421 5.081 4.660 0.001 0.000 0.236 271 W C 1.165 177.892 176.519 0.347 0.000 0.989 271 W CA 0.166 57.712 57.345 0.335 0.000 1.254 271 W CB -0.270 29.401 29.460 0.352 0.000 0.857 271 W HN 0.278 nan 8.180 nan 0.000 0.662 272 G N 2.028 111.089 108.800 0.435 0.000 2.132 272 G HA2 -0.367 3.593 3.960 0.001 0.000 0.234 272 G HA3 -0.367 3.593 3.960 0.001 0.000 0.234 272 G C 1.003 175.884 174.900 -0.032 0.000 0.989 272 G CA 0.594 45.902 45.100 0.346 0.000 0.676 272 G HN 0.247 nan 8.290 nan 0.000 0.522 273 R N -0.791 119.374 120.500 -0.558 0.000 2.103 273 R HA 0.082 4.423 4.340 0.001 0.000 0.242 273 R C 0.212 175.768 176.300 -1.240 0.000 1.142 273 R CA 1.428 56.533 56.100 -1.658 0.000 0.960 273 R CB -0.096 29.389 30.300 -1.358 0.000 0.858 273 R HN 0.423 nan 8.270 nan 0.000 0.439 274 F N -1.705 118.158 119.950 -0.146 0.000 2.547 274 F HA 0.241 4.768 4.527 0.001 0.000 0.316 274 F C -0.531 175.398 175.800 0.214 0.000 1.121 274 F CA -1.253 56.718 58.000 -0.047 0.000 0.911 274 F CB 1.384 40.347 39.000 -0.062 0.000 1.179 274 F HN -0.062 nan 8.300 nan 0.000 0.443 275 W N 1.824 123.223 121.300 0.165 0.000 3.434 275 W HA 0.097 4.757 4.660 0.001 0.000 0.297 275 W C 1.504 178.101 176.519 0.130 0.000 1.295 275 W CA -0.446 56.975 57.345 0.125 0.000 1.731 275 W CB -1.917 27.608 29.460 0.108 0.000 1.070 275 W HN 0.474 nan 8.180 nan 0.000 0.726 276 T N 0.776 115.525 114.554 0.325 0.000 2.653 276 T HA -0.301 4.050 4.350 0.001 0.000 0.268 276 T C 1.394 176.210 174.700 0.195 0.000 1.035 276 T CA 2.087 64.304 62.100 0.195 0.000 1.154 276 T CB -0.330 68.587 68.868 0.082 0.000 0.862 276 T HN 0.362 nan 8.240 nan 0.000 0.441 277 N N 0.490 119.298 118.700 0.180 0.000 2.571 277 N HA 0.143 4.883 4.740 0.001 0.000 0.189 277 N C 1.371 176.965 175.510 0.140 0.000 1.154 277 N CA 0.026 53.163 53.050 0.144 0.000 0.907 277 N CB -0.150 38.404 38.487 0.112 0.000 0.977 277 N HN 0.327 nan 8.380 nan 0.000 0.449 278 L N -0.355 120.965 121.223 0.161 0.000 2.478 278 L HA -0.094 4.246 4.340 0.001 0.000 0.223 278 L C 1.886 178.819 176.870 0.106 0.000 1.140 278 L CA 0.404 55.303 54.840 0.099 0.000 0.842 278 L CB -0.315 41.794 42.059 0.084 0.000 0.953 278 L HN 0.283 nan 8.230 nan 0.000 0.452 279 Y N 1.610 121.951 120.300 0.068 0.000 2.081 279 Y HA -0.403 4.148 4.550 0.001 0.000 0.280 279 Y C 2.910 178.833 175.900 0.039 0.000 1.163 279 Y CA 1.849 59.988 58.100 0.065 0.000 1.135 279 Y CB -0.366 38.135 38.460 0.067 0.000 0.970 279 Y HN 0.316 nan 8.280 nan 0.000 0.498 280 S N 0.425 116.175 115.700 0.083 0.000 2.389 280 S HA -0.268 4.202 4.470 0.001 0.000 0.231 280 S C 1.387 175.919 174.600 -0.113 0.000 1.052 280 S CA 2.089 60.287 58.200 -0.003 0.000 1.053 280 S CB -1.226 61.999 63.200 0.042 0.000 0.886 280 S HN 0.518 nan 8.310 nan 0.000 0.456 281 L N 0.170 121.322 121.223 -0.119 0.000 2.910 281 L HA 0.536 4.876 4.340 0.001 0.000 0.252 281 L C 1.145 177.896 176.870 -0.199 0.000 1.195 281 L CA 0.408 55.154 54.840 -0.157 0.000 1.003 281 L CB -0.240 41.724 42.059 -0.160 0.000 1.328 281 L HN 0.426 nan 8.230 nan 0.000 0.540 282 T N -4.273 110.148 114.554 -0.222 0.000 3.111 282 T HA 0.235 4.586 4.350 0.001 0.000 0.284 282 T C 0.385 174.972 174.700 -0.188 0.000 0.983 282 T CA 0.177 62.138 62.100 -0.231 0.000 0.900 282 T CB -0.073 68.699 68.868 -0.160 0.000 1.132 282 T HN 0.064 nan 8.240 nan 0.000 0.531 283 V N 3.830 123.515 119.914 -0.381 0.000 2.509 283 V HA 0.195 4.316 4.120 0.001 0.000 0.297 283 V C -1.073 174.915 176.094 -0.176 0.000 1.014 283 V CA -1.143 60.871 62.300 -0.476 0.000 1.127 283 V CB 1.125 32.577 31.823 -0.620 0.000 0.925 283 V HN 0.144 nan 8.190 nan 0.000 0.480 284 P HA -0.085 nan 4.420 nan 0.000 0.214 284 P C -0.274 176.582 177.300 -0.741 0.000 1.163 284 P CA 1.633 64.489 63.100 -0.408 0.000 0.889 284 P CB 0.070 31.264 31.700 -0.844 0.000 0.790 285 F N -2.396 117.595 119.950 0.068 0.000 2.552 285 F HA 0.465 4.992 4.527 0.001 0.000 0.369 285 F C 1.407 177.235 175.800 0.046 0.000 1.112 285 F CA -0.865 57.174 58.000 0.064 0.000 1.129 285 F CB 0.449 39.479 39.000 0.050 0.000 1.360 285 F HN -0.201 nan 8.300 nan 0.000 0.473 286 G N 0.860 109.737 108.800 0.128 0.000 2.625 286 G HA2 -0.120 3.840 3.960 0.001 0.000 0.214 286 G HA3 -0.120 3.840 3.960 0.001 0.000 0.214 286 G C 1.349 176.313 174.900 0.106 0.000 1.132 286 G CA 0.460 45.609 45.100 0.081 0.000 0.782 286 G HN 0.398 nan 8.290 nan 0.000 0.538 287 Q N 0.028 119.910 119.800 0.137 0.000 2.096 287 Q HA 0.069 4.410 4.340 0.001 0.000 0.197 287 Q C 0.978 177.039 176.000 0.102 0.000 0.964 287 Q CA 0.456 56.321 55.803 0.104 0.000 0.838 287 Q CB -0.214 28.580 28.738 0.094 0.000 0.906 287 Q HN 0.165 nan 8.270 nan 0.000 0.444 288 K N 1.803 122.283 120.400 0.134 0.000 2.518 288 K HA -0.041 4.279 4.320 0.001 0.000 0.276 288 K C -1.596 175.085 176.600 0.136 0.000 0.974 288 K CA -0.386 55.973 56.287 0.121 0.000 0.986 288 K CB -0.204 32.388 32.500 0.154 0.000 0.901 288 K HN 0.025 nan 8.250 nan 0.000 0.497 289 P HA 0.169 nan 4.420 nan 0.000 0.250 289 P C -0.899 176.496 177.300 0.158 0.000 1.202 289 P CA -0.050 63.133 63.100 0.137 0.000 0.722 289 P CB 0.465 32.242 31.700 0.129 0.000 1.432 290 N N -1.057 117.745 118.700 0.170 0.000 2.310 290 N HA 0.299 5.039 4.740 0.001 0.000 0.292 290 N C -0.159 175.334 175.510 -0.028 0.000 1.049 290 N CA -0.455 52.645 53.050 0.083 0.000 0.849 290 N CB 1.709 40.219 38.487 0.039 0.000 1.532 290 N HN -0.026 nan 8.380 nan 0.000 0.479 291 I N 0.576 121.112 120.570 -0.057 0.000 3.928 291 I HA 0.102 4.272 4.170 0.001 0.000 0.335 291 I C -0.010 176.030 176.117 -0.128 0.000 1.325 291 I CA 0.396 61.592 61.300 -0.173 0.000 1.107 291 I CB -0.481 37.445 38.000 -0.123 0.000 1.014 291 I HN 0.516 nan 8.210 nan 0.000 0.400 292 D N 1.752 122.104 120.400 -0.080 0.000 2.468 292 D HA 0.119 4.759 4.640 0.001 0.000 0.218 292 D C 1.370 177.601 176.300 -0.114 0.000 1.155 292 D CA 0.037 53.993 54.000 -0.072 0.000 0.924 292 D CB 1.013 41.796 40.800 -0.028 0.000 1.029 292 D HN 0.035 nan 8.370 nan 0.000 0.515 293 V N 1.164 120.975 119.914 -0.172 0.000 3.623 293 V HA -0.033 4.087 4.120 0.001 0.000 0.274 293 V C 1.733 177.696 176.094 -0.219 0.000 1.244 293 V CA 0.345 62.503 62.300 -0.236 0.000 1.182 293 V CB -0.892 30.718 31.823 -0.355 0.000 0.925 293 V HN 0.300 nan 8.190 nan 0.000 0.462 294 T N 0.987 115.459 114.554 -0.136 0.000 2.685 294 T HA -0.239 4.111 4.350 0.001 0.000 0.268 294 T C 1.517 176.156 174.700 -0.103 0.000 1.034 294 T CA 2.421 64.466 62.100 -0.093 0.000 1.149 294 T CB -0.378 68.465 68.868 -0.042 0.000 0.860 294 T HN 0.584 nan 8.240 nan 0.000 0.449 295 D N 0.623 120.962 120.400 -0.101 0.000 2.213 295 D HA 0.175 4.815 4.640 0.001 0.000 0.205 295 D C 2.329 178.543 176.300 -0.143 0.000 0.961 295 D CA 0.833 54.777 54.000 -0.094 0.000 0.853 295 D CB -0.346 40.416 40.800 -0.062 0.000 0.967 295 D HN 0.401 nan 8.370 nan 0.000 0.496 296 A N 0.400 123.101 122.820 -0.198 0.000 1.972 296 A HA -0.136 4.184 4.320 0.001 0.000 0.219 296 A C 2.182 179.521 177.584 -0.408 0.000 1.169 296 A CA 1.076 52.951 52.037 -0.269 0.000 0.635 296 A CB -0.391 18.431 19.000 -0.297 0.000 0.810 296 A HN 0.143 nan 8.150 nan 0.000 0.446 297 M N -1.262 118.068 119.600 -0.450 0.000 2.098 297 M HA -0.084 4.396 4.480 0.001 0.000 0.262 297 M C 2.116 178.247 176.300 -0.283 0.000 1.072 297 M CA 1.249 56.197 55.300 -0.588 0.000 1.133 297 M CB -0.348 32.015 32.600 -0.395 0.000 1.344 297 M HN 0.207 nan 8.290 nan 0.000 0.414 298 V N 0.457 120.290 119.914 -0.135 0.000 2.287 298 V HA -0.292 3.828 4.120 0.001 0.000 0.248 298 V C 1.514 177.584 176.094 -0.040 0.000 1.053 298 V CA 1.827 64.105 62.300 -0.038 0.000 1.027 298 V CB -0.683 31.128 31.823 -0.020 0.000 0.646 298 V HN 0.433 nan 8.190 nan 0.000 0.447 299 D N -0.382 119.968 120.400 -0.083 0.000 2.411 299 D HA -0.124 4.516 4.640 0.001 0.000 0.226 299 D C 1.588 177.855 176.300 -0.055 0.000 0.988 299 D CA 0.906 54.868 54.000 -0.064 0.000 0.938 299 D CB 0.035 40.786 40.800 -0.081 0.000 0.883 299 D HN 0.585 nan 8.370 nan 0.000 0.525 300 Q N -1.090 118.672 119.800 -0.064 0.000 2.112 300 Q HA 0.347 4.687 4.340 0.001 0.000 0.222 300 Q C 0.215 176.347 176.000 0.220 0.000 0.798 300 Q CA -0.134 55.681 55.803 0.020 0.000 1.060 300 Q CB 1.345 29.994 28.738 -0.148 0.000 1.184 300 Q HN 0.122 nan 8.270 nan 0.000 0.475 301 A N 0.478 123.395 122.820 0.162 0.000 2.640 301 A HA -0.191 4.129 4.320 0.001 0.000 0.300 301 A C -0.758 177.013 177.584 0.312 0.000 1.499 301 A CA 0.492 52.643 52.037 0.190 0.000 0.759 301 A CB -1.875 17.203 19.000 0.130 0.000 1.048 301 A HN 0.471 nan 8.150 nan 0.000 0.450 302 W N 1.397 122.714 121.300 0.029 0.000 2.356 302 W HA 0.479 5.139 4.660 0.001 0.000 0.311 302 W C 0.542 177.103 176.519 0.069 0.000 1.328 302 W CA 0.013 57.387 57.345 0.048 0.000 1.251 302 W CB 0.482 29.966 29.460 0.040 0.000 1.280 302 W HN 0.648 nan 8.180 nan 0.000 0.524 303 D N 1.156 121.656 120.400 0.166 0.000 2.437 303 D HA 0.396 5.036 4.640 0.001 0.000 0.259 303 D C 1.075 177.477 176.300 0.170 0.000 1.118 303 D CA -0.457 53.628 54.000 0.141 0.000 1.017 303 D CB 0.450 41.301 40.800 0.084 0.000 1.120 303 D HN 0.295 nan 8.370 nan 0.000 0.541 304 A N -0.365 122.576 122.820 0.202 0.000 2.024 304 A HA -0.220 4.101 4.320 0.001 0.000 0.220 304 A C 2.031 179.847 177.584 0.387 0.000 1.164 304 A CA 1.333 53.559 52.037 0.315 0.000 0.643 304 A CB -0.657 18.521 19.000 0.297 0.000 0.806 304 A HN 0.541 nan 8.150 nan 0.000 0.451 305 Q N -0.636 119.299 119.800 0.226 0.000 2.030 305 Q HA -0.224 4.116 4.340 0.001 0.000 0.204 305 Q C 2.336 178.427 176.000 0.151 0.000 0.986 305 Q CA 1.983 57.900 55.803 0.189 0.000 0.843 305 Q CB -0.357 28.401 28.738 0.033 0.000 0.904 305 Q HN 0.637 nan 8.270 nan 0.000 0.420 306 R N 1.056 121.537 120.500 -0.030 0.000 2.091 306 R HA -0.109 4.232 4.340 0.001 0.000 0.238 306 R C 2.173 178.388 176.300 -0.141 0.000 1.136 306 R CA 1.124 57.072 56.100 -0.255 0.000 0.959 306 R CB -0.628 29.235 30.300 -0.728 0.000 0.856 306 R HN 0.214 nan 8.270 nan 0.000 0.437 307 I N 0.025 120.620 120.570 0.041 0.000 2.151 307 I HA -0.293 3.877 4.170 0.001 0.000 0.243 307 I C 2.005 178.159 176.117 0.063 0.000 1.080 307 I CA 1.731 63.111 61.300 0.133 0.000 1.339 307 I CB -1.074 36.977 38.000 0.084 0.000 1.039 307 I HN 0.094 nan 8.210 nan 0.000 0.409 308 F N 0.927 121.034 119.950 0.263 0.000 2.219 308 F HA -0.081 4.446 4.527 0.001 0.000 0.294 308 F C 2.565 178.617 175.800 0.421 0.000 1.086 308 F CA 0.959 59.158 58.000 0.331 0.000 1.330 308 F CB -0.593 38.663 39.000 0.427 0.000 1.047 308 F HN -0.099 nan 8.300 nan 0.000 0.495 309 K N 0.793 121.571 120.400 0.631 0.000 2.074 309 K HA -0.247 4.073 4.320 0.001 0.000 0.209 309 K C 1.966 178.738 176.600 0.286 0.000 1.048 309 K CA 1.595 58.144 56.287 0.437 0.000 0.926 309 K CB -0.277 32.285 32.500 0.104 0.000 0.713 309 K HN 0.101 nan 8.250 nan 0.000 0.444 310 E N -0.129 120.193 120.200 0.204 0.000 2.017 310 E HA -0.109 4.241 4.350 0.001 0.000 0.193 310 E C 1.746 178.485 176.600 0.232 0.000 0.997 310 E CA 1.742 58.272 56.400 0.217 0.000 0.804 310 E CB -0.588 29.269 29.700 0.261 0.000 0.757 310 E HN 0.294 nan 8.360 nan 0.000 0.448 311 A N 0.936 123.822 122.820 0.111 0.000 1.873 311 A HA -0.335 3.985 4.320 0.001 0.000 0.218 311 A C 2.248 179.937 177.584 0.175 0.000 1.193 311 A CA 2.260 54.173 52.037 -0.207 0.000 0.629 311 A CB -1.015 17.787 19.000 -0.331 0.000 0.826 311 A HN 0.524 nan 8.150 nan 0.000 0.447 312 E N -0.315 120.058 120.200 0.289 0.000 2.048 312 E HA -0.319 4.032 4.350 0.001 0.000 0.202 312 E C 2.099 178.874 176.600 0.291 0.000 1.021 312 E CA 1.963 58.552 56.400 0.314 0.000 0.825 312 E CB -0.209 29.701 29.700 0.351 0.000 0.756 312 E HN 0.606 nan 8.360 nan 0.000 0.454 313 K N -0.469 120.076 120.400 0.242 0.000 2.074 313 K HA -0.216 4.104 4.320 0.001 0.000 0.209 313 K C 2.012 178.703 176.600 0.153 0.000 1.048 313 K CA 1.624 58.018 56.287 0.179 0.000 0.926 313 K CB -0.388 32.214 32.500 0.170 0.000 0.713 313 K HN 0.191 nan 8.250 nan 0.000 0.444 314 F N 0.644 120.615 119.950 0.034 0.000 2.025 314 F HA -0.277 4.251 4.527 0.001 0.000 0.297 314 F C 1.635 177.336 175.800 -0.165 0.000 1.132 314 F CA 1.781 59.729 58.000 -0.087 0.000 1.191 314 F CB -0.629 38.213 39.000 -0.264 0.000 0.963 314 F HN -0.048 nan 8.300 nan 0.000 0.481 315 F N 0.598 120.583 119.950 0.060 0.000 2.091 315 F HA -0.243 4.284 4.527 0.001 0.000 0.299 315 F C 2.427 178.132 175.800 -0.158 0.000 1.103 315 F CA 1.734 59.681 58.000 -0.088 0.000 1.228 315 F CB -1.519 37.493 39.000 0.020 0.000 0.984 315 F HN -0.132 nan 8.300 nan 0.000 0.477 316 V N 0.136 120.104 119.914 0.090 0.000 2.380 316 V HA -0.344 3.776 4.120 0.001 0.000 0.251 316 V C 2.540 178.599 176.094 -0.059 0.000 1.063 316 V CA 2.058 64.370 62.300 0.019 0.000 1.055 316 V CB -1.301 30.550 31.823 0.046 0.000 0.657 316 V HN 0.563 nan 8.190 nan 0.000 0.455 317 S N 1.376 117.003 115.700 -0.121 0.000 2.359 317 S HA -0.181 4.290 4.470 0.001 0.000 0.224 317 S C 1.955 176.448 174.600 -0.178 0.000 1.035 317 S CA 1.895 60.005 58.200 -0.150 0.000 1.018 317 S CB -0.853 62.234 63.200 -0.187 0.000 0.876 317 S HN 0.782 nan 8.310 nan 0.000 0.448 318 V N -1.558 118.199 119.914 -0.263 0.000 3.510 318 V HA 0.605 4.725 4.120 0.001 0.000 0.270 318 V C 1.551 177.569 176.094 -0.127 0.000 1.201 318 V CA 0.759 62.931 62.300 -0.212 0.000 1.166 318 V CB -0.898 30.758 31.823 -0.277 0.000 0.825 318 V HN 0.960 nan 8.190 nan 0.000 0.484 319 G N -0.086 108.649 108.800 -0.108 0.000 2.284 319 G HA2 -0.179 3.781 3.960 0.001 0.000 0.201 319 G HA3 -0.179 3.781 3.960 0.001 0.000 0.201 319 G C -0.029 174.806 174.900 -0.108 0.000 0.998 319 G CA -0.062 44.977 45.100 -0.103 0.000 0.651 319 G HN 0.533 nan 8.290 nan 0.000 0.489 320 L N 2.626 123.812 121.223 -0.062 0.000 2.476 320 L HA 0.449 4.789 4.340 0.001 0.000 0.255 320 L C -1.052 175.788 176.870 -0.050 0.000 1.218 320 L CA -1.720 53.091 54.840 -0.047 0.000 0.819 320 L CB 0.121 42.202 42.059 0.037 0.000 1.119 320 L HN 0.070 nan 8.230 nan 0.000 0.485 321 P HA 0.148 nan 4.420 nan 0.000 0.279 321 P C -1.051 176.215 177.300 -0.056 0.000 1.276 321 P CA -0.649 62.410 63.100 -0.068 0.000 0.801 321 P CB 0.532 32.178 31.700 -0.090 0.000 1.127 322 N N 0.005 118.691 118.700 -0.023 0.000 2.288 322 N HA 0.113 4.853 4.740 0.001 0.000 0.237 322 N C 0.472 175.929 175.510 -0.089 0.000 1.311 322 N CA 0.092 53.152 53.050 0.017 0.000 0.909 322 N CB -0.010 38.532 38.487 0.091 0.000 1.167 322 N HN 0.394 nan 8.380 nan 0.000 0.476 323 M N 0.996 120.524 119.600 -0.120 0.000 2.200 323 M HA 0.056 4.537 4.480 0.001 0.000 0.355 323 M C 0.576 176.798 176.300 -0.130 0.000 1.283 323 M CA -0.293 54.781 55.300 -0.378 0.000 1.124 323 M CB -0.029 32.055 32.600 -0.859 0.000 1.625 323 M HN 0.540 nan 8.290 nan 0.000 0.463 324 T N -0.126 114.375 114.554 -0.089 0.000 2.946 324 T HA -0.043 4.308 4.350 0.001 0.000 0.312 324 T C 1.079 175.863 174.700 0.140 0.000 1.066 324 T CA -0.156 61.984 62.100 0.066 0.000 1.138 324 T CB 0.747 69.698 68.868 0.137 0.000 1.014 324 T HN 0.763 nan 8.240 nan 0.000 0.544 325 Q N 2.447 122.361 119.800 0.190 0.000 2.173 325 Q HA -0.180 4.160 4.340 0.001 0.000 0.208 325 Q C 2.363 178.489 176.000 0.210 0.000 0.989 325 Q CA 2.098 58.057 55.803 0.260 0.000 0.872 325 Q CB -1.066 27.777 28.738 0.176 0.000 0.909 325 Q HN 1.032 nan 8.270 nan 0.000 0.420 326 G N 0.451 109.335 108.800 0.139 0.000 2.513 326 G HA2 -0.340 3.620 3.960 0.001 0.000 0.219 326 G HA3 -0.340 3.620 3.960 0.001 0.000 0.219 326 G C 1.137 176.076 174.900 0.066 0.000 1.160 326 G CA 0.896 46.048 45.100 0.087 0.000 0.767 326 G HN 0.527 nan 8.290 nan 0.000 0.571 327 F N 0.251 120.146 119.950 -0.093 0.000 2.065 327 F HA -0.165 4.362 4.527 0.001 0.000 0.298 327 F C 2.534 178.200 175.800 -0.225 0.000 1.112 327 F CA 2.030 59.890 58.000 -0.234 0.000 1.212 327 F CB -0.238 38.512 39.000 -0.418 0.000 0.975 327 F HN 0.267 nan 8.300 nan 0.000 0.476 328 W N 0.768 122.103 121.300 0.060 0.000 2.358 328 W HA -0.146 4.515 4.660 0.001 0.000 0.303 328 W C 2.406 178.857 176.519 -0.113 0.000 1.208 328 W CA 1.215 58.528 57.345 -0.053 0.000 1.274 328 W CB -0.500 28.994 29.460 0.058 0.000 1.138 328 W HN 0.039 nan 8.180 nan 0.000 0.515 329 E N -0.248 120.042 120.200 0.150 0.000 2.204 329 E HA -0.137 4.213 4.350 0.001 0.000 0.194 329 E C 1.427 178.006 176.600 -0.034 0.000 0.989 329 E CA 0.841 57.273 56.400 0.054 0.000 0.824 329 E CB -0.169 29.561 29.700 0.050 0.000 0.756 329 E HN 0.357 nan 8.360 nan 0.000 0.477 330 N N -0.306 118.320 118.700 -0.123 0.000 2.257 330 N HA 0.061 4.801 4.740 0.001 0.000 0.200 330 N C -0.034 175.328 175.510 -0.248 0.000 1.163 330 N CA 0.110 53.042 53.050 -0.197 0.000 0.891 330 N CB 0.827 39.150 38.487 -0.274 0.000 1.067 330 N HN -0.130 nan 8.380 nan 0.000 0.497 331 S N 1.151 116.639 115.700 -0.353 0.000 2.585 331 S HA 0.235 4.705 4.470 0.001 0.000 0.273 331 S C 0.271 174.802 174.600 -0.114 0.000 1.339 331 S CA -0.304 57.684 58.200 -0.353 0.000 1.028 331 S CB 1.340 64.009 63.200 -0.884 0.000 0.906 331 S HN 0.199 nan 8.310 nan 0.000 0.528 332 M N 4.278 123.895 119.600 0.028 0.000 2.066 332 M HA 0.281 4.761 4.480 0.001 0.000 0.340 332 M C -0.685 175.563 176.300 -0.087 0.000 1.053 332 M CA -0.613 54.666 55.300 -0.035 0.000 0.983 332 M CB 0.191 32.740 32.600 -0.085 0.000 1.520 332 M HN 0.486 nan 8.290 nan 0.000 0.428 333 L N 2.772 123.940 121.223 -0.091 0.000 2.425 333 L HA 0.283 4.623 4.340 0.001 0.000 0.215 333 L C 0.623 177.541 176.870 0.080 0.000 1.065 333 L CA 0.727 55.536 54.840 -0.051 0.000 0.842 333 L CB -0.762 41.220 42.059 -0.128 0.000 1.033 333 L HN 0.591 nan 8.230 nan 0.000 0.474 334 T N -1.082 113.502 114.554 0.050 0.000 2.829 334 T HA 0.279 4.629 4.350 0.001 0.000 0.280 334 T C -0.230 174.484 174.700 0.024 0.000 0.999 334 T CA -0.809 61.329 62.100 0.063 0.000 0.983 334 T CB 2.306 71.215 68.868 0.069 0.000 0.968 334 T HN -0.093 nan 8.240 nan 0.000 0.446 335 D N 3.031 123.446 120.400 0.026 0.000 2.658 335 D HA -0.001 4.639 4.640 0.001 0.000 0.230 335 D C -1.330 174.968 176.300 -0.005 0.000 1.118 335 D CA -1.084 52.918 54.000 0.002 0.000 0.848 335 D CB 0.973 41.782 40.800 0.014 0.000 1.160 335 D HN 0.257 nan 8.370 nan 0.000 0.497 336 P HA 0.144 nan 4.420 nan 0.000 0.253 336 P C 0.652 177.943 177.300 -0.014 0.000 1.281 336 P CA 0.406 63.493 63.100 -0.022 0.000 0.792 336 P CB 0.045 31.721 31.700 -0.041 0.000 1.193 337 G N 1.083 109.878 108.800 -0.009 0.000 2.528 337 G HA2 -0.289 3.671 3.960 0.001 0.000 0.262 337 G HA3 -0.289 3.671 3.960 0.001 0.000 0.262 337 G C 0.421 175.316 174.900 -0.009 0.000 1.200 337 G CA 0.123 45.222 45.100 -0.002 0.000 0.951 337 G HN 0.455 nan 8.290 nan 0.000 0.566 338 N N 0.324 119.022 118.700 -0.004 0.000 2.235 338 N HA 0.270 5.011 4.740 0.001 0.000 0.267 338 N C 1.898 177.401 175.510 -0.010 0.000 1.298 338 N CA 1.477 54.524 53.050 -0.006 0.000 0.936 338 N CB -0.805 37.683 38.487 0.001 0.000 1.035 338 N HN 1.745 nan 8.380 nan 0.000 0.451 339 V N -0.847 119.063 119.914 -0.007 0.000 0.607 339 V HA -0.347 3.773 4.120 0.001 0.000 0.092 339 V C 0.825 176.910 176.094 -0.016 0.000 1.699 339 V CA 2.645 64.940 62.300 -0.008 0.000 3.351 339 V CB -1.428 30.391 31.823 -0.006 0.000 0.632 339 V HN 0.936 nan 8.190 nan 0.000 0.650 340 Q N 1.075 120.860 119.800 -0.025 0.000 2.571 340 Q HA 0.357 4.697 4.340 0.001 0.000 0.243 340 Q C -0.278 175.688 176.000 -0.056 0.000 1.055 340 Q CA -0.316 55.463 55.803 -0.040 0.000 0.815 340 Q CB 0.911 29.624 28.738 -0.042 0.000 1.151 340 Q HN 0.645 nan 8.270 nan 0.000 0.519 341 K N 1.003 121.368 120.400 -0.058 0.000 2.126 341 K HA 0.715 5.036 4.320 0.001 0.000 0.257 341 K C -0.759 175.771 176.600 -0.117 0.000 1.007 341 K CA -0.129 56.117 56.287 -0.068 0.000 0.928 341 K CB 1.391 33.864 32.500 -0.045 0.000 1.013 341 K HN 0.565 nan 8.250 nan 0.000 0.473 342 A N 0.568 123.312 122.820 -0.125 0.000 2.593 342 A HA 0.486 4.807 4.320 0.001 0.000 0.290 342 A C -0.787 176.709 177.584 -0.147 0.000 1.126 342 A CA -0.872 51.050 52.037 -0.191 0.000 0.695 342 A CB 0.798 19.663 19.000 -0.224 0.000 1.290 342 A HN 0.480 nan 8.150 nan 0.000 0.414 343 V N -2.324 117.481 119.914 -0.182 0.000 3.051 343 V HA 0.408 4.528 4.120 0.001 0.000 0.306 343 V C 0.660 176.745 176.094 -0.016 0.000 1.083 343 V CA 0.121 62.370 62.300 -0.085 0.000 1.104 343 V CB 0.752 32.516 31.823 -0.099 0.000 1.027 343 V HN 0.972 nan 8.190 nan 0.000 0.483 344 c N 1.048 119.708 118.600 0.099 0.000 3.392 344 c HA 0.364 4.935 4.570 0.001 0.000 0.301 344 c C 0.785 174.978 174.090 0.173 0.000 1.354 344 c CA -0.194 56.202 56.329 0.113 0.000 1.732 344 c CB -1.488 41.069 42.510 0.079 0.000 2.269 344 c HN 1.026 nan 8.230 nan 0.000 0.673 345 H N 2.393 121.482 119.070 0.031 0.000 3.125 345 H HA 0.122 4.678 4.556 0.001 0.000 0.310 345 H C -2.374 173.001 175.328 0.078 0.000 0.980 345 H CA -0.289 55.784 56.048 0.041 0.000 1.422 345 H CB -0.206 29.575 29.762 0.032 0.000 1.432 345 H HN 0.236 nan 8.280 nan 0.000 0.577 346 P HA 0.094 nan 4.420 nan 0.000 0.271 346 P C -0.579 176.841 177.300 0.200 0.000 1.226 346 P CA -0.145 63.060 63.100 0.175 0.000 0.765 346 P CB 0.824 32.599 31.700 0.126 0.000 0.835 347 T N -0.156 114.568 114.554 0.284 0.000 2.900 347 T HA 0.769 5.119 4.350 0.001 0.000 0.303 347 T C -0.962 173.962 174.700 0.373 0.000 1.142 347 T CA -1.066 61.186 62.100 0.253 0.000 1.007 347 T CB 1.797 70.798 68.868 0.223 0.000 1.156 347 T HN 0.241 nan 8.240 nan 0.000 0.490 348 A N 1.223 124.158 122.820 0.192 0.000 2.260 348 A HA 0.647 4.967 4.320 0.001 0.000 0.314 348 A C -1.351 176.369 177.584 0.227 0.000 1.257 348 A CA -0.853 51.350 52.037 0.278 0.000 0.871 348 A CB 0.136 19.246 19.000 0.183 0.000 1.166 348 A HN 0.735 nan 8.150 nan 0.000 0.522 349 W N 1.581 122.988 121.300 0.179 0.000 2.349 349 W HA 0.443 5.104 4.660 0.001 0.000 0.309 349 W C -0.314 176.281 176.519 0.127 0.000 1.083 349 W CA -0.205 57.224 57.345 0.142 0.000 1.224 349 W CB 1.487 31.036 29.460 0.149 0.000 1.256 349 W HN 0.649 nan 8.180 nan 0.000 0.461 350 D N 3.553 124.090 120.400 0.228 0.000 2.479 350 D HA 0.174 4.814 4.640 0.001 0.000 0.247 350 D C 0.528 176.868 176.300 0.068 0.000 1.119 350 D CA -0.176 53.919 54.000 0.159 0.000 0.922 350 D CB 0.739 41.665 40.800 0.211 0.000 1.014 350 D HN 0.158 nan 8.370 nan 0.000 0.510 351 L N 2.248 123.496 121.223 0.041 0.000 2.109 351 L HA 0.314 4.655 4.340 0.001 0.000 0.207 351 L C 1.681 178.626 176.870 0.125 0.000 1.086 351 L CA 1.278 56.156 54.840 0.063 0.000 0.760 351 L CB -0.747 41.292 42.059 -0.034 0.000 0.910 351 L HN 0.651 nan 8.230 nan 0.000 0.437 352 G N -1.606 107.222 108.800 0.046 0.000 2.331 352 G HA2 -0.096 3.865 3.960 0.001 0.000 0.479 352 G HA3 -0.096 3.865 3.960 0.001 0.000 0.479 352 G C -0.742 174.098 174.900 -0.099 0.000 1.262 352 G CA -0.569 44.560 45.100 0.048 0.000 1.029 352 G HN 0.026 nan 8.290 nan 0.000 0.487 353 K N -0.534 119.738 120.400 -0.213 0.000 3.415 353 K HA -0.134 4.187 4.320 0.001 0.000 0.271 353 K C 1.333 177.760 176.600 -0.289 0.000 0.876 353 K CA 1.503 57.580 56.287 -0.352 0.000 0.670 353 K CB -1.731 30.323 32.500 -0.744 0.000 1.510 353 K HN 2.612 nan 8.250 nan 0.000 0.455 354 G N 1.616 110.261 108.800 -0.259 0.000 2.450 354 G HA2 -0.310 3.650 3.960 0.001 0.000 0.302 354 G HA3 -0.310 3.650 3.960 0.001 0.000 0.302 354 G C -0.361 174.258 174.900 -0.470 0.000 0.957 354 G CA 0.774 45.691 45.100 -0.306 0.000 1.005 354 G HN 0.691 nan 8.290 nan 0.000 0.514 355 D N -0.460 119.564 120.400 -0.626 0.000 2.453 355 D HA 0.599 5.239 4.640 0.001 0.000 0.238 355 D C 0.026 176.029 176.300 -0.494 0.000 1.088 355 D CA -0.769 53.008 54.000 -0.372 0.000 0.854 355 D CB 0.240 40.999 40.800 -0.068 0.000 1.076 355 D HN 0.057 nan 8.370 nan 0.000 0.533 356 F N 2.856 122.826 119.950 0.034 0.000 2.523 356 F HA 0.696 5.223 4.527 0.001 0.000 0.329 356 F C 0.753 176.609 175.800 0.093 0.000 1.061 356 F CA -0.910 57.133 58.000 0.071 0.000 0.967 356 F CB 1.619 40.647 39.000 0.045 0.000 1.218 356 F HN 0.294 nan 8.300 nan 0.000 0.480 357 R N 0.681 121.382 120.500 0.335 0.000 2.753 357 R HA 0.682 5.022 4.340 0.001 0.000 0.272 357 R C -2.402 174.062 176.300 0.273 0.000 1.034 357 R CA -0.881 55.293 56.100 0.124 0.000 0.869 357 R CB 1.083 31.118 30.300 -0.442 0.000 1.264 357 R HN 0.644 nan 8.270 nan 0.000 0.481 358 I N 1.702 122.365 120.570 0.155 0.000 2.530 358 I HA 0.419 4.589 4.170 0.001 0.000 0.297 358 I C -0.980 175.288 176.117 0.251 0.000 1.011 358 I CA -1.389 60.101 61.300 0.316 0.000 1.107 358 I CB 2.098 40.312 38.000 0.356 0.000 1.285 358 I HN 0.516 nan 8.210 nan 0.000 0.436 359 L N 7.304 128.730 121.223 0.338 0.000 2.325 359 L HA 0.717 5.057 4.340 0.001 0.000 0.281 359 L C -0.997 175.971 176.870 0.163 0.000 1.004 359 L CA -0.028 54.884 54.840 0.121 0.000 0.823 359 L CB 1.182 43.175 42.059 -0.111 0.000 1.236 359 L HN 0.707 nan 8.230 nan 0.000 0.415 360 M N 5.386 125.054 119.600 0.112 0.000 2.294 360 M HA 0.274 4.754 4.480 0.001 0.000 0.280 360 M C -1.371 175.006 176.300 0.129 0.000 1.085 360 M CA -0.397 55.005 55.300 0.170 0.000 0.969 360 M CB 1.640 34.428 32.600 0.314 0.000 1.770 360 M HN 0.664 nan 8.290 nan 0.000 0.485 361 c N 2.905 121.566 118.600 0.101 0.000 3.025 361 c HA 0.206 4.776 4.570 0.001 0.000 0.547 361 c C 0.623 174.781 174.090 0.113 0.000 1.058 361 c CA -0.381 55.996 56.329 0.080 0.000 1.164 361 c CB -1.999 40.541 42.510 0.051 0.000 1.405 361 c HN 0.723 nan 8.230 nan 0.000 0.610 362 T N 3.139 117.793 114.554 0.167 0.000 2.736 362 T HA 0.005 4.355 4.350 0.001 0.000 0.275 362 T C 0.427 175.219 174.700 0.154 0.000 0.962 362 T CA 0.673 62.896 62.100 0.205 0.000 1.214 362 T CB 0.002 69.067 68.868 0.329 0.000 0.904 362 T HN 0.522 nan 8.240 nan 0.000 0.529 363 K N 1.879 122.354 120.400 0.126 0.000 2.127 363 K HA 0.402 4.723 4.320 0.001 0.000 0.240 363 K C 0.642 177.319 176.600 0.128 0.000 1.024 363 K CA -0.684 55.667 56.287 0.107 0.000 0.918 363 K CB 0.677 33.223 32.500 0.078 0.000 1.108 363 K HN 0.257 nan 8.250 nan 0.000 0.485 364 V N 1.249 121.233 119.914 0.116 0.000 3.140 364 V HA 0.084 4.204 4.120 0.001 0.000 0.379 364 V C -0.329 175.822 176.094 0.095 0.000 1.296 364 V CA -0.312 62.069 62.300 0.134 0.000 1.351 364 V CB -1.033 30.870 31.823 0.133 0.000 1.311 364 V HN 0.704 nan 8.190 nan 0.000 0.508 365 T N -0.168 114.440 114.554 0.089 0.000 2.904 365 T HA 0.246 4.597 4.350 0.001 0.000 0.290 365 T C 1.171 175.925 174.700 0.090 0.000 1.018 365 T CA -0.351 61.786 62.100 0.062 0.000 1.075 365 T CB 1.845 70.743 68.868 0.051 0.000 0.986 365 T HN 0.268 nan 8.240 nan 0.000 0.523 366 M N 1.255 120.884 119.600 0.048 0.000 2.159 366 M HA -0.153 4.327 4.480 0.001 0.000 0.263 366 M C 0.903 177.296 176.300 0.155 0.000 1.063 366 M CA 1.737 57.087 55.300 0.084 0.000 1.110 366 M CB -0.277 32.318 32.600 -0.008 0.000 1.374 366 M HN 0.536 nan 8.290 nan 0.000 0.411 367 D N 0.272 120.720 120.400 0.079 0.000 2.263 367 D HA -0.143 4.497 4.640 0.001 0.000 0.208 367 D C 1.228 177.561 176.300 0.055 0.000 0.971 367 D CA 1.116 55.145 54.000 0.048 0.000 0.867 367 D CB -0.376 40.431 40.800 0.012 0.000 0.929 367 D HN 0.460 nan 8.370 nan 0.000 0.492 368 D N -0.747 119.709 120.400 0.093 0.000 2.259 368 D HA -0.016 4.625 4.640 0.001 0.000 0.216 368 D C 1.588 177.948 176.300 0.099 0.000 0.961 368 D CA 0.006 54.061 54.000 0.091 0.000 0.878 368 D CB -0.188 40.677 40.800 0.108 0.000 1.009 368 D HN 0.138 nan 8.370 nan 0.000 0.490 369 F N 1.167 121.131 119.950 0.023 0.000 2.161 369 F HA -0.116 4.411 4.527 0.001 0.000 0.300 369 F C 1.705 177.523 175.800 0.030 0.000 1.089 369 F CA 1.245 59.272 58.000 0.046 0.000 1.282 369 F CB -0.211 38.843 39.000 0.090 0.000 1.010 369 F HN -0.085 nan 8.300 nan 0.000 0.485 370 L N -0.450 120.739 121.223 -0.056 0.000 2.005 370 L HA -0.199 4.141 4.340 0.001 0.000 0.207 370 L C 2.550 179.346 176.870 -0.124 0.000 1.072 370 L CA 1.887 56.597 54.840 -0.216 0.000 0.744 370 L CB -1.228 40.817 42.059 -0.023 0.000 0.895 370 L HN 0.135 nan 8.230 nan 0.000 0.433 371 T N -0.170 114.365 114.554 -0.032 0.000 2.699 371 T HA -0.240 4.110 4.350 0.001 0.000 0.268 371 T C 1.903 176.642 174.700 0.066 0.000 1.036 371 T CA 1.394 63.505 62.100 0.018 0.000 1.147 371 T CB -0.159 68.714 68.868 0.009 0.000 0.862 371 T HN 0.473 nan 8.240 nan 0.000 0.446 372 A N 0.946 123.741 122.820 -0.041 0.000 1.884 372 A HA -0.257 4.064 4.320 0.001 0.000 0.219 372 A C 1.907 179.497 177.584 0.010 0.000 1.197 372 A CA 2.504 54.452 52.037 -0.148 0.000 0.637 372 A CB -1.161 17.483 19.000 -0.593 0.000 0.827 372 A HN 0.617 nan 8.150 nan 0.000 0.450 373 H N -1.840 117.107 119.070 -0.206 0.000 2.289 373 H HA -0.183 4.373 4.556 0.001 0.000 0.296 373 H C 1.983 177.357 175.328 0.077 0.000 1.091 373 H CA 2.033 58.004 56.048 -0.128 0.000 1.274 373 H CB -0.678 28.806 29.762 -0.464 0.000 1.364 373 H HN 0.858 nan 8.280 nan 0.000 0.490 374 H N 0.408 119.533 119.070 0.091 0.000 2.353 374 H HA -0.138 4.419 4.556 0.001 0.000 0.298 374 H C 1.876 177.335 175.328 0.218 0.000 1.103 374 H CA 1.761 57.869 56.048 0.099 0.000 1.293 374 H CB 0.311 30.116 29.762 0.070 0.000 1.372 374 H HN 0.260 nan 8.280 nan 0.000 0.501 375 E N 0.302 120.783 120.200 0.468 0.000 2.072 375 E HA -0.172 4.178 4.350 0.001 0.000 0.191 375 E C 2.307 179.100 176.600 0.322 0.000 0.985 375 E CA 1.084 57.779 56.400 0.493 0.000 0.801 375 E CB -0.379 29.572 29.700 0.418 0.000 0.750 375 E HN 0.608 nan 8.360 nan 0.000 0.452 376 M N 0.371 120.088 119.600 0.196 0.000 2.557 376 M HA -0.016 4.464 4.480 0.001 0.000 0.259 376 M C 1.806 177.881 176.300 -0.375 0.000 1.086 376 M CA 1.015 56.273 55.300 -0.070 0.000 1.096 376 M CB -0.052 32.518 32.600 -0.051 0.000 1.424 376 M HN 0.089 nan 8.290 nan 0.000 0.488 377 G N -0.074 108.674 108.800 -0.087 0.000 2.453 377 G HA2 -0.256 3.705 3.960 0.001 0.000 0.215 377 G HA3 -0.256 3.705 3.960 0.001 0.000 0.215 377 G C 1.183 175.975 174.900 -0.181 0.000 1.201 377 G CA 0.881 45.897 45.100 -0.140 0.000 0.784 377 G HN 0.484 nan 8.290 nan 0.000 0.545 378 H N 0.465 119.544 119.070 0.014 0.000 2.267 378 H HA -0.128 4.428 4.556 0.001 0.000 0.291 378 H C 2.750 178.124 175.328 0.077 0.000 1.094 378 H CA 1.637 57.802 56.048 0.196 0.000 1.227 378 H CB -0.373 29.515 29.762 0.211 0.000 1.351 378 H HN 0.142 nan 8.280 nan 0.000 0.483 379 I N 0.959 121.569 120.570 0.066 0.000 2.248 379 I HA -0.259 3.911 4.170 0.001 0.000 0.248 379 I C 2.585 178.469 176.117 -0.389 0.000 1.107 379 I CA 1.276 62.493 61.300 -0.139 0.000 1.373 379 I CB -0.970 36.879 38.000 -0.251 0.000 1.055 379 I HN 0.262 nan 8.210 nan 0.000 0.418 380 Q N -0.272 119.262 119.800 -0.443 0.000 2.119 380 Q HA -0.207 4.133 4.340 0.001 0.000 0.201 380 Q C 2.312 178.127 176.000 -0.308 0.000 0.972 380 Q CA 1.473 56.998 55.803 -0.464 0.000 0.847 380 Q CB -0.392 28.001 28.738 -0.575 0.000 0.903 380 Q HN 0.577 nan 8.270 nan 0.000 0.433 381 Y N 0.189 120.242 120.300 -0.412 0.000 2.145 381 Y HA -0.270 4.280 4.550 0.001 0.000 0.286 381 Y C 1.473 176.886 175.900 -0.812 0.000 1.145 381 Y CA 0.997 58.788 58.100 -0.514 0.000 1.148 381 Y CB 0.214 38.360 38.460 -0.524 0.000 0.981 381 Y HN 0.223 nan 8.280 nan 0.000 0.507 382 D N 0.264 120.400 120.400 -0.441 0.000 2.149 382 D HA -0.222 4.419 4.640 0.001 0.000 0.198 382 D C 2.103 178.182 176.300 -0.368 0.000 0.990 382 D CA 1.592 55.307 54.000 -0.474 0.000 0.839 382 D CB -0.220 40.651 40.800 0.119 0.000 0.948 382 D HN 0.489 nan 8.370 nan 0.000 0.460 383 M N 0.562 119.832 119.600 -0.550 0.000 2.077 383 M HA -0.079 4.401 4.480 0.001 0.000 0.261 383 M C 2.472 178.656 176.300 -0.194 0.000 1.070 383 M CA 1.224 56.205 55.300 -0.533 0.000 1.125 383 M CB -0.270 31.894 32.600 -0.727 0.000 1.339 383 M HN -0.057 nan 8.290 nan 0.000 0.409 384 A N 0.479 123.165 122.820 -0.224 0.000 1.948 384 A HA -0.216 4.104 4.320 0.001 0.000 0.220 384 A C 1.744 179.285 177.584 -0.072 0.000 1.177 384 A CA 1.772 53.725 52.037 -0.139 0.000 0.636 384 A CB -1.258 17.537 19.000 -0.342 0.000 0.815 384 A HN 0.798 nan 8.150 nan 0.000 0.449 385 Y N -3.896 116.401 120.300 -0.005 0.000 2.524 385 Y HA 0.668 5.218 4.550 0.001 0.000 0.266 385 Y C 1.784 177.698 175.900 0.022 0.000 1.180 385 Y CA 0.031 58.123 58.100 -0.014 0.000 1.244 385 Y CB -0.225 38.217 38.460 -0.030 0.000 1.125 385 Y HN 0.166 nan 8.280 nan 0.000 0.524 386 A N 1.247 124.263 122.820 0.326 0.000 2.125 386 A HA -0.004 4.316 4.320 0.001 0.000 0.219 386 A C 2.295 179.979 177.584 0.167 0.000 1.156 386 A CA 1.353 53.558 52.037 0.281 0.000 0.671 386 A CB -0.711 18.473 19.000 0.306 0.000 0.794 386 A HN 0.682 nan 8.150 nan 0.000 0.459 387 A N -0.851 122.054 122.820 0.142 0.000 1.930 387 A HA -0.040 4.280 4.320 0.001 0.000 0.217 387 A C 1.367 178.989 177.584 0.062 0.000 1.175 387 A CA 0.638 52.729 52.037 0.091 0.000 0.627 387 A CB -0.284 18.769 19.000 0.088 0.000 0.815 387 A HN 0.521 nan 8.150 nan 0.000 0.443 388 Q N 0.393 120.230 119.800 0.061 0.000 2.432 388 Q HA 0.190 4.530 4.340 0.001 0.000 0.264 388 Q C -2.328 173.677 176.000 0.009 0.000 1.035 388 Q CA -1.746 54.065 55.803 0.014 0.000 0.908 388 Q CB -0.232 28.488 28.738 -0.031 0.000 1.280 388 Q HN 0.302 nan 8.270 nan 0.000 0.455 389 P HA -0.102 nan 4.420 nan 0.000 0.266 389 P C 0.533 177.875 177.300 0.070 0.000 1.195 389 P CA 0.129 63.252 63.100 0.038 0.000 0.768 389 P CB 0.272 31.996 31.700 0.040 0.000 0.838 390 F N 3.518 123.446 119.950 -0.037 0.000 2.106 390 F HA -0.261 4.266 4.527 0.001 0.000 0.299 390 F C 1.709 177.527 175.800 0.030 0.000 1.082 390 F CA 1.748 59.739 58.000 -0.015 0.000 1.244 390 F CB -0.389 38.588 39.000 -0.037 0.000 0.997 390 F HN 0.173 nan 8.300 nan 0.000 0.486 391 L N -0.354 120.988 121.223 0.199 0.000 2.610 391 L HA -0.091 4.249 4.340 0.001 0.000 0.232 391 L C 1.014 177.839 176.870 -0.075 0.000 1.149 391 L CA -0.018 54.885 54.840 0.105 0.000 0.872 391 L CB -0.199 41.999 42.059 0.231 0.000 0.992 391 L HN 0.223 nan 8.230 nan 0.000 0.447 392 L N -1.081 120.058 121.223 -0.140 0.000 2.766 392 L HA 0.170 4.510 4.340 0.001 0.000 0.242 392 L C 0.831 177.464 176.870 -0.395 0.000 1.136 392 L CA 0.378 55.097 54.840 -0.201 0.000 0.933 392 L CB 0.128 42.109 42.059 -0.130 0.000 1.241 392 L HN -0.002 nan 8.230 nan 0.000 0.522 393 R N 1.475 121.682 120.500 -0.488 0.000 2.272 393 R HA 0.385 4.726 4.340 0.001 0.000 0.334 393 R C -0.394 175.349 176.300 -0.929 0.000 1.117 393 R CA -0.000 55.568 56.100 -0.886 0.000 0.966 393 R CB -0.101 29.914 30.300 -0.475 0.000 1.049 393 R HN 0.068 nan 8.270 nan 0.000 0.477 394 N N 0.413 118.376 118.700 -1.228 0.000 4.409 394 N HA 0.045 4.785 4.740 0.001 0.000 0.208 394 N C -0.868 174.431 175.510 -0.352 0.000 1.233 394 N CA -0.269 52.464 53.050 -0.529 0.000 0.881 394 N CB 1.222 39.547 38.487 -0.270 0.000 1.507 394 N HN 0.562 nan 8.380 nan 0.000 0.511 395 G N 0.378 109.167 108.800 -0.019 0.000 2.559 395 G HA2 0.371 4.331 3.960 0.001 0.000 0.235 395 G HA3 0.371 4.331 3.960 0.001 0.000 0.235 395 G C 1.214 176.083 174.900 -0.052 0.000 1.266 395 G CA 0.463 45.555 45.100 -0.014 0.000 0.847 395 G HN 0.726 nan 8.290 nan 0.000 0.583 396 A N 1.996 124.725 122.820 -0.151 0.000 1.903 396 A HA -0.076 4.244 4.320 0.001 0.000 0.219 396 A C 1.385 178.754 177.584 -0.359 0.000 1.191 396 A CA 2.323 54.063 52.037 -0.494 0.000 0.638 396 A CB -0.617 17.547 19.000 -1.394 0.000 0.823 396 A HN 1.100 nan 8.150 nan 0.000 0.451 397 N N -3.157 115.402 118.700 -0.235 0.000 3.157 397 N HA 0.292 5.033 4.740 0.001 0.000 0.291 397 N C 0.209 175.728 175.510 0.014 0.000 1.515 397 N CA -0.061 52.889 53.050 -0.166 0.000 0.807 397 N CB 0.082 38.313 38.487 -0.427 0.000 1.672 397 N HN 0.231 nan 8.380 nan 0.000 0.592 398 E N -1.259 118.880 120.200 -0.101 0.000 2.171 398 E HA -0.169 4.182 4.350 0.001 0.000 0.197 398 E C 1.466 178.136 176.600 0.116 0.000 0.997 398 E CA 1.601 57.989 56.400 -0.021 0.000 0.810 398 E CB -0.685 28.944 29.700 -0.119 0.000 0.738 398 E HN 0.682 nan 8.360 nan 0.000 0.467 399 G N 0.219 109.151 108.800 0.220 0.000 2.408 399 G HA2 -0.163 3.798 3.960 0.001 0.000 0.215 399 G HA3 -0.163 3.798 3.960 0.001 0.000 0.215 399 G C 1.143 176.253 174.900 0.350 0.000 1.156 399 G CA 0.332 45.631 45.100 0.332 0.000 0.793 399 G HN 0.153 nan 8.290 nan 0.000 0.535 400 F N 0.532 120.584 119.950 0.169 0.000 2.126 400 F HA -0.027 4.500 4.527 0.001 0.000 0.299 400 F C 2.591 178.562 175.800 0.286 0.000 1.096 400 F CA 1.315 59.421 58.000 0.176 0.000 1.255 400 F CB -0.351 38.779 39.000 0.216 0.000 0.997 400 F HN 0.163 nan 8.300 nan 0.000 0.479 401 H N 0.051 119.387 119.070 0.442 0.000 2.326 401 H HA -0.082 4.474 4.556 0.001 0.000 0.301 401 H C 2.186 177.644 175.328 0.217 0.000 1.081 401 H CA 1.494 57.788 56.048 0.410 0.000 1.334 401 H CB 0.045 29.991 29.762 0.306 0.000 1.385 401 H HN 0.148 nan 8.280 nan 0.000 0.504 402 E N 0.510 120.950 120.200 0.400 0.000 2.110 402 E HA -0.102 4.249 4.350 0.001 0.000 0.193 402 E C 2.310 178.930 176.600 0.033 0.000 0.988 402 E CA 0.809 57.376 56.400 0.278 0.000 0.804 402 E CB -0.234 29.655 29.700 0.315 0.000 0.745 402 E HN 0.450 nan 8.360 nan 0.000 0.458 403 A N 0.869 123.674 122.820 -0.024 0.000 1.883 403 A HA -0.168 4.152 4.320 0.001 0.000 0.217 403 A C 2.608 180.067 177.584 -0.209 0.000 1.186 403 A CA 1.670 53.566 52.037 -0.234 0.000 0.624 403 A CB -0.768 17.924 19.000 -0.514 0.000 0.822 403 A HN 0.153 nan 8.150 nan 0.000 0.444 404 V N -0.013 119.839 119.914 -0.103 0.000 2.407 404 V HA -0.185 3.935 4.120 0.001 0.000 0.248 404 V C 2.789 178.724 176.094 -0.265 0.000 1.055 404 V CA 1.847 64.080 62.300 -0.112 0.000 1.049 404 V CB -1.459 30.243 31.823 -0.201 0.000 0.662 404 V HN 0.643 nan 8.190 nan 0.000 0.455 405 G N -0.431 108.052 108.800 -0.529 0.000 2.446 405 G HA2 -0.239 3.721 3.960 0.001 0.000 0.217 405 G HA3 -0.239 3.721 3.960 0.001 0.000 0.217 405 G C 1.509 176.099 174.900 -0.516 0.000 1.168 405 G CA 0.808 45.308 45.100 -1.001 0.000 0.771 405 G HN 0.495 nan 8.290 nan 0.000 0.551 406 E N 0.309 120.365 120.200 -0.241 0.000 2.072 406 E HA -0.064 4.286 4.350 0.001 0.000 0.190 406 E C 2.714 179.222 176.600 -0.154 0.000 0.982 406 E CA 0.341 56.691 56.400 -0.083 0.000 0.803 406 E CB -0.223 29.393 29.700 -0.139 0.000 0.755 406 E HN 0.284 nan 8.360 nan 0.000 0.453 407 I N 1.421 121.888 120.570 -0.172 0.000 2.181 407 I HA -0.313 3.858 4.170 0.001 0.000 0.247 407 I C 2.281 178.335 176.117 -0.105 0.000 1.081 407 I CA 1.350 62.577 61.300 -0.122 0.000 1.340 407 I CB -1.016 36.972 38.000 -0.020 0.000 1.036 407 I HN 0.144 nan 8.210 nan 0.000 0.417 408 M N -0.274 119.261 119.600 -0.109 0.000 2.066 408 M HA -0.140 4.341 4.480 0.001 0.000 0.259 408 M C 2.498 178.622 176.300 -0.294 0.000 1.074 408 M CA 1.501 56.673 55.300 -0.213 0.000 1.114 408 M CB -1.825 30.715 32.600 -0.100 0.000 1.306 408 M HN 0.140 nan 8.290 nan 0.000 0.411 409 S N 0.585 116.186 115.700 -0.165 0.000 2.421 409 S HA -0.191 4.280 4.470 0.001 0.000 0.239 409 S C 1.864 176.374 174.600 -0.150 0.000 1.054 409 S CA 1.388 59.501 58.200 -0.146 0.000 1.035 409 S CB -0.216 62.975 63.200 -0.015 0.000 0.840 409 S HN 0.262 nan 8.310 nan 0.000 0.475 410 L N 0.726 121.874 121.223 -0.125 0.000 2.049 410 L HA 0.120 4.460 4.340 0.001 0.000 0.203 410 L C 2.567 179.400 176.870 -0.061 0.000 1.074 410 L CA 1.838 56.654 54.840 -0.039 0.000 0.749 410 L CB -1.152 40.877 42.059 -0.051 0.000 0.907 410 L HN 0.191 nan 8.230 nan 0.000 0.439 411 S N -0.477 115.139 115.700 -0.139 0.000 2.419 411 S HA -0.104 4.366 4.470 0.001 0.000 0.233 411 S C 1.993 176.410 174.600 -0.306 0.000 1.016 411 S CA 0.922 59.029 58.200 -0.155 0.000 0.974 411 S CB -0.349 62.809 63.200 -0.069 0.000 0.786 411 S HN 0.506 nan 8.310 nan 0.000 0.492 412 A N 1.069 123.595 122.820 -0.490 0.000 2.016 412 A HA 0.385 4.705 4.320 0.001 0.000 0.217 412 A C 2.149 179.691 177.584 -0.069 0.000 1.162 412 A CA 1.124 52.832 52.037 -0.548 0.000 0.662 412 A CB -0.582 17.833 19.000 -0.976 0.000 0.812 412 A HN 0.481 nan 8.150 nan 0.000 0.450 413 A N 0.122 122.900 122.820 -0.070 0.000 2.208 413 A HA 0.235 4.555 4.320 0.001 0.000 0.209 413 A C 1.439 178.965 177.584 -0.097 0.000 1.161 413 A CA 1.005 53.044 52.037 0.004 0.000 0.782 413 A CB -1.148 17.908 19.000 0.094 0.000 0.816 413 A HN 0.600 nan 8.150 nan 0.000 0.477 414 T N -2.241 112.256 114.554 -0.094 0.000 2.930 414 T HA 0.284 4.634 4.350 0.001 0.000 0.306 414 T C -1.621 172.988 174.700 -0.151 0.000 1.045 414 T CA -1.074 60.929 62.100 -0.163 0.000 1.134 414 T CB 0.927 69.737 68.868 -0.096 0.000 0.961 414 T HN 0.030 nan 8.240 nan 0.000 0.545 415 P HA -0.067 nan 4.420 nan 0.000 0.218 415 P C 1.515 178.731 177.300 -0.140 0.000 1.148 415 P CA 0.927 63.879 63.100 -0.247 0.000 0.822 415 P CB 0.103 31.638 31.700 -0.275 0.000 0.784 416 K N -0.745 119.608 120.400 -0.077 0.000 2.009 416 K HA -0.261 4.060 4.320 0.001 0.000 0.210 416 K C 2.241 178.844 176.600 0.006 0.000 1.049 416 K CA 1.680 57.954 56.287 -0.022 0.000 0.929 416 K CB -0.577 31.925 32.500 0.005 0.000 0.714 416 K HN 0.113 nan 8.250 nan 0.000 0.440 417 H N -0.137 118.906 119.070 -0.045 0.000 2.357 417 H HA -0.056 4.500 4.556 0.001 0.000 0.301 417 H C 1.744 177.066 175.328 -0.010 0.000 1.082 417 H CA 1.514 57.564 56.048 0.002 0.000 1.342 417 H CB 0.015 29.792 29.762 0.025 0.000 1.389 417 H HN 0.106 nan 8.280 nan 0.000 0.511 418 L N 1.016 122.197 121.223 -0.071 0.000 2.079 418 L HA -0.150 4.190 4.340 0.001 0.000 0.210 418 L C 2.193 178.947 176.870 -0.194 0.000 1.081 418 L CA 1.657 56.392 54.840 -0.175 0.000 0.752 418 L CB -0.963 40.971 42.059 -0.208 0.000 0.896 418 L HN 0.351 nan 8.230 nan 0.000 0.433 419 K N -0.971 119.339 120.400 -0.150 0.000 2.001 419 K HA -0.150 4.170 4.320 0.001 0.000 0.208 419 K C 2.288 178.827 176.600 -0.101 0.000 1.048 419 K CA 1.473 57.693 56.287 -0.111 0.000 0.932 419 K CB -0.300 32.159 32.500 -0.068 0.000 0.715 419 K HN 0.193 nan 8.250 nan 0.000 0.437 420 S N 1.336 116.969 115.700 -0.111 0.000 2.372 420 S HA -0.202 4.268 4.470 0.001 0.000 0.227 420 S C 1.984 176.510 174.600 -0.124 0.000 1.044 420 S CA 1.382 59.517 58.200 -0.109 0.000 1.050 420 S CB -0.321 62.809 63.200 -0.116 0.000 0.901 420 S HN 0.218 nan 8.310 nan 0.000 0.447 421 I N 0.458 120.908 120.570 -0.201 0.000 2.142 421 I HA 0.011 4.181 4.170 0.001 0.000 0.240 421 I C 1.859 177.959 176.117 -0.028 0.000 1.078 421 I CA 1.095 62.339 61.300 -0.092 0.000 1.343 421 I CB -0.560 37.394 38.000 -0.076 0.000 1.046 421 I HN 0.615 nan 8.210 nan 0.000 0.405 422 G N 0.081 108.835 108.800 -0.078 0.000 2.181 422 G HA2 -0.153 3.808 3.960 0.001 0.000 0.152 422 G HA3 -0.153 3.808 3.960 0.001 0.000 0.152 422 G C 0.448 175.279 174.900 -0.115 0.000 1.026 422 G CA -0.230 44.833 45.100 -0.063 0.000 0.699 422 G HN 0.255 nan 8.290 nan 0.000 0.497 423 L N -1.183 119.916 121.223 -0.206 0.000 2.357 423 L HA 0.407 4.747 4.340 0.001 0.000 0.211 423 L C 1.150 177.864 176.870 -0.260 0.000 1.075 423 L CA 0.118 54.763 54.840 -0.326 0.000 0.830 423 L CB 0.074 41.827 42.059 -0.509 0.000 0.996 423 L HN 0.270 nan 8.230 nan 0.000 0.467 424 L N 0.427 121.515 121.223 -0.224 0.000 2.276 424 L HA 0.203 4.543 4.340 0.001 0.000 0.286 424 L C 0.621 177.425 176.870 -0.110 0.000 1.061 424 L CA 0.149 54.872 54.840 -0.195 0.000 0.807 424 L CB 1.237 43.148 42.059 -0.248 0.000 1.177 424 L HN -0.130 nan 8.230 nan 0.000 0.429 425 S N 6.883 122.545 115.700 -0.064 0.000 2.596 425 S HA 0.090 4.560 4.470 0.001 0.000 0.298 425 S C -1.670 172.939 174.600 0.015 0.000 1.255 425 S CA -0.760 57.432 58.200 -0.014 0.000 1.083 425 S CB 0.200 63.411 63.200 0.018 0.000 0.837 425 S HN 0.521 nan 8.310 nan 0.000 0.499 426 P HA 0.117 nan 4.420 nan 0.000 0.301 426 P C -0.352 176.964 177.300 0.027 0.000 1.560 426 P CA 0.298 63.404 63.100 0.009 0.000 0.784 426 P CB -0.028 31.669 31.700 -0.004 0.000 1.715 427 D N -1.776 118.656 120.400 0.053 0.000 2.486 427 D HA 0.085 4.725 4.640 0.001 0.000 0.243 427 D C 0.164 176.500 176.300 0.060 0.000 1.146 427 D CA -0.392 53.632 54.000 0.039 0.000 0.821 427 D CB -0.159 40.652 40.800 0.018 0.000 1.201 427 D HN 0.095 nan 8.370 nan 0.000 0.525 428 F N 4.007 123.930 119.950 -0.045 0.000 2.602 428 F HA 0.005 4.532 4.527 0.001 0.000 0.385 428 F C 0.733 176.506 175.800 -0.045 0.000 1.063 428 F CA -0.079 57.893 58.000 -0.047 0.000 1.233 428 F CB 0.613 39.579 39.000 -0.056 0.000 1.067 428 F HN -0.164 nan 8.300 nan 0.000 0.564 429 Q N 5.735 125.254 119.800 -0.468 0.000 2.360 429 Q HA 0.186 4.526 4.340 0.001 0.000 0.254 429 Q C -1.004 174.787 176.000 -0.348 0.000 0.975 429 Q CA -0.419 55.206 55.803 -0.298 0.000 0.912 429 Q CB 0.770 29.352 28.738 -0.260 0.000 1.212 429 Q HN 0.715 nan 8.270 nan 0.000 0.452 430 E N 3.170 123.366 120.200 -0.006 0.000 1.802 430 E HA 0.052 4.403 4.350 0.001 0.000 0.265 430 E C -0.770 175.831 176.600 0.002 0.000 1.168 430 E CA -0.157 56.316 56.400 0.121 0.000 1.033 430 E CB 0.035 29.826 29.700 0.152 0.000 1.095 430 E HN 0.634 nan 8.360 nan 0.000 0.436 431 D N 0.924 121.282 120.400 -0.070 0.000 2.344 431 D HA -0.070 4.570 4.640 0.001 0.000 0.244 431 D C 1.219 177.483 176.300 -0.061 0.000 1.134 431 D CA -0.705 53.242 54.000 -0.088 0.000 0.930 431 D CB 0.759 41.471 40.800 -0.146 0.000 1.175 431 D HN 0.174 nan 8.370 nan 0.000 0.437 432 N N 1.526 120.180 118.700 -0.077 0.000 2.242 432 N HA -0.319 4.422 4.740 0.001 0.000 0.191 432 N C 0.829 176.267 175.510 -0.120 0.000 1.005 432 N CA 1.523 54.530 53.050 -0.072 0.000 0.877 432 N CB -0.336 38.107 38.487 -0.073 0.000 0.983 432 N HN 0.728 nan 8.380 nan 0.000 0.439 433 E N -0.488 119.584 120.200 -0.214 0.000 2.140 433 E HA 0.029 4.380 4.350 0.001 0.000 0.191 433 E C 1.560 178.123 176.600 -0.062 0.000 0.973 433 E CA 0.788 56.969 56.400 -0.366 0.000 0.829 433 E CB -0.024 29.181 29.700 -0.824 0.000 0.781 433 E HN 0.333 nan 8.360 nan 0.000 0.466 434 T N 1.691 116.248 114.554 0.005 0.000 2.833 434 T HA -0.117 4.233 4.350 0.001 0.000 0.269 434 T C 1.338 176.138 174.700 0.167 0.000 1.054 434 T CA 0.975 63.157 62.100 0.136 0.000 1.135 434 T CB -0.108 68.872 68.868 0.188 0.000 0.869 434 T HN 0.084 nan 8.240 nan 0.000 0.466 435 E N 0.761 121.033 120.200 0.119 0.000 2.401 435 E HA -0.018 4.332 4.350 0.001 0.000 0.199 435 E C 1.828 178.468 176.600 0.066 0.000 1.023 435 E CA 0.507 56.997 56.400 0.149 0.000 0.859 435 E CB -0.142 29.650 29.700 0.154 0.000 0.780 435 E HN 0.463 nan 8.360 nan 0.000 0.523 436 I N 0.891 121.484 120.570 0.038 0.000 2.685 436 I HA -0.063 4.107 4.170 0.001 0.000 0.251 436 I C 1.624 177.746 176.117 0.009 0.000 1.102 436 I CA 0.351 61.595 61.300 -0.094 0.000 1.442 436 I CB -1.016 36.823 38.000 -0.268 0.000 1.194 436 I HN 0.027 nan 8.210 nan 0.000 0.448 437 N N 1.262 120.064 118.700 0.170 0.000 2.137 437 N HA -0.241 4.500 4.740 0.001 0.000 0.190 437 N C 1.795 177.487 175.510 0.304 0.000 1.017 437 N CA 1.384 54.620 53.050 0.310 0.000 0.859 437 N CB -0.592 38.137 38.487 0.402 0.000 1.002 437 N HN 0.248 nan 8.380 nan 0.000 0.428 438 F N 1.629 121.636 119.950 0.096 0.000 2.039 438 F HA -0.077 4.450 4.527 0.001 0.000 0.294 438 F C 2.006 177.843 175.800 0.061 0.000 1.130 438 F CA 0.801 58.828 58.000 0.045 0.000 1.189 438 F CB -0.547 38.477 39.000 0.039 0.000 0.983 438 F HN -0.146 nan 8.300 nan 0.000 0.471 439 L N 0.372 121.579 121.223 -0.028 0.000 2.129 439 L HA -0.236 4.104 4.340 0.001 0.000 0.212 439 L C 2.370 179.301 176.870 0.102 0.000 1.087 439 L CA 1.285 56.091 54.840 -0.056 0.000 0.757 439 L CB -1.478 40.534 42.059 -0.078 0.000 0.896 439 L HN 0.337 nan 8.230 nan 0.000 0.434 440 L N -0.344 120.933 121.223 0.090 0.000 2.049 440 L HA -0.188 4.153 4.340 0.001 0.000 0.203 440 L C 2.397 179.388 176.870 0.202 0.000 1.074 440 L CA 1.588 56.536 54.840 0.181 0.000 0.749 440 L CB -0.662 41.524 42.059 0.213 0.000 0.907 440 L HN 0.309 nan 8.230 nan 0.000 0.439 441 K N -0.666 119.830 120.400 0.160 0.000 2.286 441 K HA -0.226 4.094 4.320 0.001 0.000 0.203 441 K C 1.997 178.535 176.600 -0.103 0.000 1.045 441 K CA 1.270 57.513 56.287 -0.073 0.000 0.935 441 K CB 0.227 32.367 32.500 -0.600 0.000 0.737 441 K HN 0.410 nan 8.250 nan 0.000 0.460 442 Q N -0.326 119.405 119.800 -0.114 0.000 2.008 442 Q HA -0.022 4.318 4.340 0.001 0.000 0.196 442 Q C 2.181 178.266 176.000 0.142 0.000 0.973 442 Q CA 1.441 57.248 55.803 0.006 0.000 0.826 442 Q CB -0.411 28.371 28.738 0.073 0.000 0.894 442 Q HN 0.377 nan 8.270 nan 0.000 0.439 443 A N 1.021 123.912 122.820 0.118 0.000 1.940 443 A HA -0.178 4.142 4.320 0.001 0.000 0.219 443 A C 2.112 179.628 177.584 -0.113 0.000 1.176 443 A CA 1.194 53.056 52.037 -0.291 0.000 0.631 443 A CB -0.657 18.122 19.000 -0.368 0.000 0.814 443 A HN 0.285 nan 8.150 nan 0.000 0.446 444 L N -0.052 121.207 121.223 0.060 0.000 2.129 444 L HA -0.170 4.170 4.340 0.001 0.000 0.212 444 L C 2.536 179.467 176.870 0.102 0.000 1.087 444 L CA 2.504 57.440 54.840 0.160 0.000 0.757 444 L CB -0.911 41.307 42.059 0.265 0.000 0.896 444 L HN 0.546 nan 8.230 nan 0.000 0.434 445 T N -1.705 112.883 114.554 0.056 0.000 3.031 445 T HA 0.094 4.444 4.350 0.001 0.000 0.236 445 T C 1.909 176.646 174.700 0.063 0.000 1.005 445 T CA 0.465 62.603 62.100 0.063 0.000 1.230 445 T CB -0.169 68.655 68.868 -0.073 0.000 0.913 445 T HN -0.012 nan 8.240 nan 0.000 0.419 446 I N 1.978 122.572 120.570 0.041 0.000 2.118 446 I HA -0.137 4.033 4.170 0.001 0.000 0.241 446 I C 2.521 178.602 176.117 -0.059 0.000 1.070 446 I CA 1.477 62.818 61.300 0.068 0.000 1.327 446 I CB -1.587 36.569 38.000 0.259 0.000 1.034 446 I HN 0.091 nan 8.210 nan 0.000 0.405 447 V N 1.130 120.909 119.914 -0.226 0.000 2.649 447 V HA 0.025 4.145 4.120 0.001 0.000 0.248 447 V C 2.721 178.650 176.094 -0.275 0.000 1.054 447 V CA 1.396 63.523 62.300 -0.289 0.000 1.073 447 V CB -1.009 30.552 31.823 -0.436 0.000 0.699 447 V HN 0.495 nan 8.190 nan 0.000 0.463 448 G N -0.629 107.964 108.800 -0.344 0.000 2.442 448 G HA2 -0.291 3.670 3.960 0.001 0.000 0.219 448 G HA3 -0.291 3.670 3.960 0.001 0.000 0.219 448 G C 1.688 176.250 174.900 -0.564 0.000 1.141 448 G CA 1.686 46.357 45.100 -0.714 0.000 0.763 448 G HN 0.432 nan 8.290 nan 0.000 0.554 449 T N 0.169 114.542 114.554 -0.301 0.000 3.081 449 T HA 0.224 4.574 4.350 0.001 0.000 0.255 449 T C 2.344 176.982 174.700 -0.104 0.000 1.113 449 T CA -0.042 61.890 62.100 -0.280 0.000 1.082 449 T CB -0.147 68.550 68.868 -0.285 0.000 0.939 449 T HN 0.159 nan 8.240 nan 0.000 0.506 450 L N 1.336 122.493 121.223 -0.109 0.000 1.988 450 L HA -0.010 4.330 4.340 0.001 0.000 0.207 450 L C -0.462 176.486 176.870 0.131 0.000 1.071 450 L CA 1.631 56.487 54.840 0.027 0.000 0.744 450 L CB -1.805 40.242 42.059 -0.021 0.000 0.893 450 L HN 0.184 nan 8.230 nan 0.000 0.433 451 P HA -0.224 nan 4.420 nan 0.000 0.215 451 P C 1.638 178.910 177.300 -0.048 0.000 1.157 451 P CA 1.358 64.473 63.100 0.024 0.000 0.868 451 P CB -0.161 31.346 31.700 -0.320 0.000 0.788 452 F N 0.688 120.524 119.950 -0.189 0.000 2.063 452 F HA -0.258 4.269 4.527 0.001 0.000 0.298 452 F C 1.966 177.695 175.800 -0.118 0.000 1.109 452 F CA 2.227 60.126 58.000 -0.170 0.000 1.212 452 F CB -1.319 37.596 39.000 -0.143 0.000 0.973 452 F HN -0.122 nan 8.300 nan 0.000 0.480 453 T N -0.182 114.600 114.554 0.379 0.000 2.777 453 T HA -0.242 4.108 4.350 0.001 0.000 0.266 453 T C 1.671 176.452 174.700 0.134 0.000 1.040 453 T CA 1.628 63.982 62.100 0.424 0.000 1.141 453 T CB -0.845 68.201 68.868 0.296 0.000 0.868 453 T HN 0.620 nan 8.240 nan 0.000 0.444 454 Y N 1.242 121.437 120.300 -0.175 0.000 2.089 454 Y HA -0.170 4.380 4.550 0.001 0.000 0.282 454 Y C 2.652 178.272 175.900 -0.466 0.000 1.139 454 Y CA 1.137 58.956 58.100 -0.469 0.000 1.123 454 Y CB -0.251 37.719 38.460 -0.816 0.000 0.980 454 Y HN 0.003 nan 8.280 nan 0.000 0.493 455 M N 0.778 119.911 119.600 -0.777 0.000 2.110 455 M HA -0.269 4.211 4.480 0.001 0.000 0.257 455 M C 2.331 178.279 176.300 -0.587 0.000 1.071 455 M CA 2.054 56.838 55.300 -0.860 0.000 1.096 455 M CB -1.138 31.040 32.600 -0.703 0.000 1.300 455 M HN 0.584 nan 8.290 nan 0.000 0.411 456 L N 1.571 122.482 121.223 -0.519 0.000 1.997 456 L HA -0.232 4.109 4.340 0.001 0.000 0.216 456 L C 2.137 178.948 176.870 -0.098 0.000 1.074 456 L CA 2.170 56.853 54.840 -0.261 0.000 0.763 456 L CB -1.388 40.427 42.059 -0.407 0.000 0.890 456 L HN 0.407 nan 8.230 nan 0.000 0.434 457 E N -0.521 119.555 120.200 -0.208 0.000 2.347 457 E HA -0.209 4.141 4.350 0.001 0.000 0.196 457 E C 2.056 178.243 176.600 -0.687 0.000 1.008 457 E CA 0.637 56.780 56.400 -0.428 0.000 0.852 457 E CB -0.012 29.296 29.700 -0.653 0.000 0.783 457 E HN 0.410 nan 8.360 nan 0.000 0.505 458 K N 0.481 120.577 120.400 -0.506 0.000 2.057 458 K HA -0.154 4.167 4.320 0.001 0.000 0.206 458 K C 1.627 178.214 176.600 -0.023 0.000 1.050 458 K CA 1.015 57.115 56.287 -0.313 0.000 0.935 458 K CB -0.537 31.578 32.500 -0.642 0.000 0.715 458 K HN 0.151 nan 8.250 nan 0.000 0.439 459 W N 1.369 122.559 121.300 -0.182 0.000 2.353 459 W HA -0.139 4.521 4.660 0.001 0.000 0.319 459 W C 1.938 178.386 176.519 -0.118 0.000 1.207 459 W CA 2.062 59.362 57.345 -0.074 0.000 1.291 459 W CB -0.213 29.301 29.460 0.090 0.000 1.159 459 W HN -0.034 nan 8.180 nan 0.000 0.478 460 R N -0.822 119.765 120.500 0.146 0.000 2.103 460 R HA -0.266 4.074 4.340 0.001 0.000 0.234 460 R C 2.000 178.239 176.300 -0.102 0.000 1.132 460 R CA 2.316 58.331 56.100 -0.141 0.000 0.925 460 R CB -1.436 29.039 30.300 0.291 0.000 0.842 460 R HN 0.213 nan 8.270 nan 0.000 0.430 461 W N 0.768 122.097 121.300 0.048 0.000 2.290 461 W HA -0.213 4.447 4.660 0.001 0.000 0.318 461 W C 2.257 178.777 176.519 0.001 0.000 1.248 461 W CA 1.130 58.544 57.345 0.115 0.000 1.263 461 W CB -0.818 28.722 29.460 0.134 0.000 1.147 461 W HN 0.187 nan 8.180 nan 0.000 0.494 462 M N -0.936 118.746 119.600 0.136 0.000 2.123 462 M HA -0.168 4.312 4.480 0.001 0.000 0.263 462 M C 1.936 178.140 176.300 -0.160 0.000 1.069 462 M CA 1.281 56.583 55.300 0.002 0.000 1.133 462 M CB -0.992 31.601 32.600 -0.013 0.000 1.356 462 M HN -0.293 nan 8.290 nan 0.000 0.415 463 V N 0.013 119.634 119.914 -0.489 0.000 2.660 463 V HA -0.248 3.873 4.120 0.001 0.000 0.257 463 V C 1.570 177.451 176.094 -0.355 0.000 1.088 463 V CA 1.575 63.496 62.300 -0.631 0.000 1.106 463 V CB -0.841 30.136 31.823 -1.411 0.000 0.686 463 V HN 0.323 nan 8.190 nan 0.000 0.481 464 F N -0.027 119.878 119.950 -0.074 0.000 2.732 464 F HA 0.223 4.750 4.527 0.001 0.000 0.303 464 F C 1.549 177.337 175.800 -0.020 0.000 1.110 464 F CA 0.042 58.020 58.000 -0.036 0.000 1.355 464 F CB -0.188 38.794 39.000 -0.030 0.000 1.081 464 F HN 0.111 nan 8.300 nan 0.000 0.565 465 K N -0.537 119.935 120.400 0.119 0.000 2.646 465 K HA 0.343 4.663 4.320 0.001 0.000 0.206 465 K C 1.407 178.040 176.600 0.055 0.000 1.069 465 K CA 0.339 56.675 56.287 0.082 0.000 1.067 465 K CB 0.618 33.162 32.500 0.073 0.000 0.807 465 K HN 0.195 nan 8.250 nan 0.000 0.482 466 G N 2.011 110.844 108.800 0.055 0.000 2.300 466 G HA2 -0.394 3.567 3.960 0.001 0.000 0.267 466 G HA3 -0.394 3.567 3.960 0.001 0.000 0.267 466 G C 0.881 175.806 174.900 0.042 0.000 0.980 466 G CA 1.126 46.255 45.100 0.048 0.000 0.635 466 G HN 0.533 nan 8.290 nan 0.000 0.552 467 E N -0.304 119.916 120.200 0.034 0.000 2.273 467 E HA -0.085 4.265 4.350 0.001 0.000 0.198 467 E C 0.848 177.473 176.600 0.043 0.000 1.002 467 E CA 0.863 57.285 56.400 0.038 0.000 0.828 467 E CB -0.038 29.686 29.700 0.039 0.000 0.747 467 E HN 0.574 nan 8.360 nan 0.000 0.491 468 I N 1.839 122.426 120.570 0.029 0.000 2.503 468 I HA 0.255 4.425 4.170 0.001 0.000 0.277 468 I C -2.479 173.748 176.117 0.183 0.000 1.078 468 I CA -2.458 58.892 61.300 0.083 0.000 1.184 468 I CB 0.235 38.204 38.000 -0.051 0.000 1.353 468 I HN -0.333 nan 8.210 nan 0.000 0.490 469 P HA 0.020 nan 4.420 nan 0.000 0.266 469 P C 0.900 178.182 177.300 -0.031 0.000 1.186 469 P CA 0.197 63.326 63.100 0.048 0.000 0.767 469 P CB 0.887 32.609 31.700 0.037 0.000 0.820 470 K N 1.533 121.774 120.400 -0.265 0.000 2.113 470 K HA -0.191 4.130 4.320 0.001 0.000 0.208 470 K C 0.952 177.363 176.600 -0.315 0.000 1.047 470 K CA 1.995 57.903 56.287 -0.632 0.000 0.928 470 K CB -0.474 31.705 32.500 -0.534 0.000 0.716 470 K HN 0.628 nan 8.250 nan 0.000 0.446 471 D N -0.062 120.267 120.400 -0.119 0.000 2.323 471 D HA -0.073 4.567 4.640 0.001 0.000 0.239 471 D C 0.630 176.978 176.300 0.080 0.000 1.129 471 D CA 0.380 54.370 54.000 -0.017 0.000 0.865 471 D CB 0.198 40.990 40.800 -0.013 0.000 0.913 471 D HN 0.165 nan 8.370 nan 0.000 0.517 472 Q N -1.559 118.329 119.800 0.147 0.000 1.983 472 Q HA 0.103 4.444 4.340 0.001 0.000 0.204 472 Q C 0.240 176.502 176.000 0.438 0.000 0.789 472 Q CA -0.547 55.407 55.803 0.252 0.000 1.007 472 Q CB 0.256 29.115 28.738 0.202 0.000 1.229 472 Q HN 0.122 nan 8.270 nan 0.000 0.431 473 W N 0.982 122.420 121.300 0.231 0.000 2.332 473 W HA -0.170 4.490 4.660 0.001 0.000 0.321 473 W C 1.756 178.569 176.519 0.490 0.000 1.219 473 W CA 1.247 58.813 57.345 0.368 0.000 1.277 473 W CB -0.213 29.434 29.460 0.312 0.000 1.161 473 W HN 0.258 nan 8.180 nan 0.000 0.476 474 M N -0.447 119.517 119.600 0.607 0.000 2.248 474 M HA -0.043 4.437 4.480 0.001 0.000 0.265 474 M C 1.705 178.377 176.300 0.620 0.000 1.079 474 M CA 1.206 56.845 55.300 0.565 0.000 1.150 474 M CB -1.679 31.224 32.600 0.505 0.000 1.366 474 M HN -0.044 nan 8.290 nan 0.000 0.433 475 K N -0.032 120.646 120.400 0.463 0.000 2.442 475 K HA -0.152 4.168 4.320 0.001 0.000 0.200 475 K C 1.967 178.804 176.600 0.394 0.000 1.045 475 K CA 0.734 57.248 56.287 0.378 0.000 0.937 475 K CB 0.139 32.801 32.500 0.269 0.000 0.757 475 K HN 0.073 nan 8.250 nan 0.000 0.474 476 K N -0.280 120.399 120.400 0.465 0.000 2.387 476 K HA 0.001 4.321 4.320 0.001 0.000 0.197 476 K C 1.396 178.262 176.600 0.444 0.000 1.127 476 K CA 0.072 56.615 56.287 0.427 0.000 0.950 476 K CB -0.101 32.660 32.500 0.436 0.000 1.017 476 K HN 0.252 nan 8.250 nan 0.000 0.519 477 W N 0.645 122.041 121.300 0.159 0.000 2.289 477 W HA -0.304 4.356 4.660 0.001 0.000 0.331 477 W C 1.054 177.378 176.519 -0.325 0.000 1.283 477 W CA 1.562 58.690 57.345 -0.362 0.000 1.252 477 W CB -0.354 28.720 29.460 -0.644 0.000 1.153 477 W HN 0.112 nan 8.180 nan 0.000 0.467 478 W N 0.302 121.665 121.300 0.105 0.000 2.800 478 W HA -0.005 4.656 4.660 0.001 0.000 0.249 478 W C 2.145 178.675 176.519 0.019 0.000 1.294 478 W CA 0.622 57.956 57.345 -0.018 0.000 1.402 478 W CB -0.997 28.502 29.460 0.065 0.000 1.126 478 W HN 0.006 nan 8.180 nan 0.000 0.652 479 E N 0.732 121.083 120.200 0.250 0.000 2.204 479 E HA -0.189 4.161 4.350 0.001 0.000 0.195 479 E C 1.713 178.377 176.600 0.107 0.000 0.990 479 E CA 1.380 57.892 56.400 0.187 0.000 0.821 479 E CB -0.076 29.741 29.700 0.195 0.000 0.750 479 E HN 0.388 nan 8.360 nan 0.000 0.477 480 M N -1.242 118.360 119.600 0.003 0.000 2.571 480 M HA 0.108 4.589 4.480 0.001 0.000 0.259 480 M C 1.877 178.046 176.300 -0.218 0.000 1.205 480 M CA -0.017 55.224 55.300 -0.098 0.000 1.138 480 M CB 0.087 32.585 32.600 -0.170 0.000 1.329 480 M HN -0.230 nan 8.290 nan 0.000 0.503 481 K N 1.621 121.803 120.400 -0.363 0.000 2.211 481 K HA -0.042 4.278 4.320 0.001 0.000 0.204 481 K C 1.946 178.475 176.600 -0.119 0.000 1.047 481 K CA 1.291 57.331 56.287 -0.411 0.000 0.935 481 K CB -0.052 32.076 32.500 -0.621 0.000 0.728 481 K HN 0.454 nan 8.250 nan 0.000 0.452 482 R N -0.296 120.216 120.500 0.020 0.000 2.087 482 R HA 0.028 4.368 4.340 0.001 0.000 0.216 482 R C 2.219 178.657 176.300 0.230 0.000 1.114 482 R CA 0.490 56.645 56.100 0.091 0.000 1.002 482 R CB -0.126 30.279 30.300 0.176 0.000 0.903 482 R HN 0.216 nan 8.270 nan 0.000 0.445 483 E N 0.764 121.100 120.200 0.226 0.000 2.077 483 E HA -0.156 4.194 4.350 0.001 0.000 0.193 483 E C 1.647 178.465 176.600 0.364 0.000 0.989 483 E CA 1.132 57.711 56.400 0.298 0.000 0.800 483 E CB 0.293 30.102 29.700 0.183 0.000 0.746 483 E HN 0.146 nan 8.360 nan 0.000 0.452 484 I N -0.157 120.544 120.570 0.218 0.000 2.681 484 I HA -0.089 4.081 4.170 0.001 0.000 0.247 484 I C 2.343 178.644 176.117 0.308 0.000 1.091 484 I CA 0.532 61.983 61.300 0.252 0.000 1.442 484 I CB -0.830 37.171 38.000 0.002 0.000 1.219 484 I HN 0.029 nan 8.210 nan 0.000 0.451 485 V N 1.083 121.040 119.914 0.071 0.000 2.951 485 V HA 0.154 4.274 4.120 0.001 0.000 0.255 485 V C 1.507 177.550 176.094 -0.086 0.000 1.088 485 V CA 1.068 63.404 62.300 0.060 0.000 1.109 485 V CB -0.838 30.953 31.823 -0.053 0.000 0.724 485 V HN 0.732 nan 8.190 nan 0.000 0.471 486 G N 0.651 109.109 108.800 -0.570 0.000 2.256 486 G HA2 -0.185 3.775 3.960 0.001 0.000 0.272 486 G HA3 -0.185 3.775 3.960 0.001 0.000 0.272 486 G C -0.209 174.427 174.900 -0.439 0.000 1.076 486 G CA 0.306 44.503 45.100 -1.504 0.000 0.882 486 G HN 0.455 nan 8.290 nan 0.000 0.497 487 V N -0.387 119.423 119.914 -0.173 0.000 2.876 487 V HA 0.823 4.943 4.120 0.001 0.000 0.312 487 V C 0.501 176.658 176.094 0.105 0.000 1.085 487 V CA -0.291 62.014 62.300 0.009 0.000 0.945 487 V CB 2.263 34.133 31.823 0.079 0.000 1.017 487 V HN 1.137 nan 8.190 nan 0.000 0.428 488 V N 0.619 120.602 119.914 0.115 0.000 3.046 488 V HA 0.762 4.883 4.120 0.001 0.000 0.316 488 V C -0.380 175.692 176.094 -0.037 0.000 1.104 488 V CA -0.800 61.553 62.300 0.089 0.000 1.006 488 V CB 2.085 33.847 31.823 -0.101 0.000 1.058 488 V HN 0.922 nan 8.190 nan 0.000 0.440 489 E N 2.992 122.942 120.200 -0.417 0.000 2.259 489 E HA 0.300 4.651 4.350 0.001 0.000 0.281 489 E C -2.234 173.990 176.600 -0.627 0.000 1.037 489 E CA -1.849 54.019 56.400 -0.886 0.000 0.854 489 E CB 1.457 30.180 29.700 -1.629 0.000 1.051 489 E HN 0.541 nan 8.360 nan 0.000 0.409 490 P HA -0.068 nan 4.420 nan 0.000 0.221 490 P C 0.303 177.498 177.300 -0.176 0.000 1.150 490 P CA 0.484 63.289 63.100 -0.491 0.000 0.800 490 P CB 0.363 31.562 31.700 -0.834 0.000 0.787 491 V N 1.718 121.480 119.914 -0.254 0.000 2.709 491 V HA 0.352 4.472 4.120 0.001 0.000 0.308 491 V C -2.479 173.302 176.094 -0.521 0.000 1.062 491 V CA -2.346 59.824 62.300 -0.217 0.000 0.901 491 V CB 2.525 34.261 31.823 -0.146 0.000 1.003 491 V HN -0.096 nan 8.190 nan 0.000 0.425 492 P HA 0.312 nan 4.420 nan 0.000 0.275 492 P C -1.302 175.767 177.300 -0.385 0.000 1.228 492 P CA -0.044 62.723 63.100 -0.556 0.000 0.786 492 P CB 0.679 32.011 31.700 -0.614 0.000 0.927 493 H N 1.126 120.028 119.070 -0.279 0.000 2.689 493 H HA 0.285 4.841 4.556 0.001 0.000 0.346 493 H C 0.075 175.476 175.328 0.121 0.000 1.037 493 H CA -0.445 55.503 56.048 -0.167 0.000 1.234 493 H CB 1.365 30.932 29.762 -0.325 0.000 1.572 493 H HN 0.483 nan 8.280 nan 0.000 0.524 494 D N 1.350 121.996 120.400 0.409 0.000 2.487 494 D HA 0.076 4.717 4.640 0.001 0.000 0.262 494 D C 0.501 176.983 176.300 0.302 0.000 1.130 494 D CA -0.605 53.566 54.000 0.284 0.000 1.038 494 D CB 1.378 42.290 40.800 0.187 0.000 1.142 494 D HN 0.252 nan 8.370 nan 0.000 0.575 495 E N -0.485 119.840 120.200 0.209 0.000 2.510 495 E HA -0.100 4.251 4.350 0.001 0.000 0.202 495 E C 1.390 178.054 176.600 0.105 0.000 1.072 495 E CA 0.362 56.875 56.400 0.187 0.000 0.883 495 E CB -0.673 29.098 29.700 0.120 0.000 0.818 495 E HN 0.547 nan 8.360 nan 0.000 0.548 496 T N -0.540 114.042 114.554 0.047 0.000 2.995 496 T HA -0.083 4.268 4.350 0.001 0.000 0.269 496 T C 0.229 174.797 174.700 -0.219 0.000 1.091 496 T CA 0.558 62.588 62.100 -0.116 0.000 1.128 496 T CB -0.025 68.711 68.868 -0.220 0.000 0.891 496 T HN 0.031 nan 8.240 nan 0.000 0.492 497 Y N -0.502 119.771 120.300 -0.045 0.000 2.374 497 Y HA 0.508 5.058 4.550 0.001 0.000 0.322 497 Y C 0.539 176.398 175.900 -0.068 0.000 1.275 497 Y CA -1.263 56.751 58.100 -0.143 0.000 1.307 497 Y CB 1.100 39.367 38.460 -0.322 0.000 1.282 497 Y HN -0.054 nan 8.280 nan 0.000 0.509 498 C N 2.994 122.305 119.300 0.018 0.000 3.319 498 C HA 0.221 4.681 4.460 0.001 0.000 0.200 498 C C 0.594 175.402 174.990 -0.303 0.000 1.332 498 C CA -0.886 58.054 59.018 -0.130 0.000 1.170 498 C CB -1.701 25.986 27.740 -0.088 0.000 1.855 498 C HN 0.916 nan 8.230 nan 0.000 0.593 499 D N 2.782 123.014 120.400 -0.281 0.000 2.126 499 D HA -0.143 4.497 4.640 0.001 0.000 0.190 499 D C -0.433 175.574 176.300 -0.489 0.000 1.001 499 D CA 1.730 55.584 54.000 -0.243 0.000 0.841 499 D CB -1.063 39.800 40.800 0.106 0.000 0.949 499 D HN 0.453 nan 8.370 nan 0.000 0.446 500 P HA -0.150 nan 4.420 nan 0.000 0.217 500 P C 1.091 177.973 177.300 -0.697 0.000 1.151 500 P CA 1.815 64.083 63.100 -1.388 0.000 0.849 500 P CB -0.092 30.082 31.700 -2.544 0.000 0.787 501 A N 0.209 122.638 122.820 -0.652 0.000 2.206 501 A HA -0.031 4.289 4.320 0.001 0.000 0.211 501 A C 2.238 179.778 177.584 -0.072 0.000 1.158 501 A CA 1.292 53.068 52.037 -0.435 0.000 0.761 501 A CB -1.175 17.511 19.000 -0.522 0.000 0.801 501 A HN 0.369 nan 8.150 nan 0.000 0.473 502 S N -0.819 114.921 115.700 0.067 0.000 2.561 502 S HA 0.159 4.629 4.470 0.001 0.000 0.225 502 S C 0.655 175.878 174.600 1.039 0.000 0.977 502 S CA -0.091 58.395 58.200 0.477 0.000 0.926 502 S CB -0.261 63.155 63.200 0.360 0.000 0.769 502 S HN 0.376 nan 8.310 nan 0.000 0.533 503 L N 2.247 123.796 121.223 0.542 0.000 2.265 503 L HA 0.357 4.697 4.340 0.001 0.000 0.288 503 L C 0.947 177.877 176.870 0.100 0.000 1.058 503 L CA -0.468 54.461 54.840 0.148 0.000 0.809 503 L CB 0.575 42.396 42.059 -0.397 0.000 1.179 503 L HN 0.277 nan 8.230 nan 0.000 0.429 504 F N 5.353 125.267 119.950 -0.059 0.000 2.174 504 F HA -0.420 4.108 4.527 0.001 0.000 0.296 504 F C 2.355 178.048 175.800 -0.178 0.000 1.182 504 F CA 2.607 60.345 58.000 -0.436 0.000 1.265 504 F CB -0.291 38.557 39.000 -0.253 0.000 0.920 504 F HN 0.745 nan 8.300 nan 0.000 0.548 505 H N -0.890 118.378 119.070 0.330 0.000 2.444 505 H HA -0.228 4.328 4.556 0.001 0.000 0.294 505 H C 2.320 177.743 175.328 0.159 0.000 1.125 505 H CA 1.749 58.032 56.048 0.391 0.000 1.230 505 H CB -1.119 28.996 29.762 0.589 0.000 1.361 505 H HN 0.328 nan 8.280 nan 0.000 0.508 506 V N 1.090 121.073 119.914 0.115 0.000 2.229 506 V HA -0.166 3.955 4.120 0.001 0.000 0.243 506 V C 1.818 177.924 176.094 0.020 0.000 1.042 506 V CA 1.972 64.307 62.300 0.058 0.000 1.000 506 V CB -0.329 31.394 31.823 -0.167 0.000 0.637 506 V HN 0.471 nan 8.190 nan 0.000 0.446 507 S N -0.129 115.476 115.700 -0.158 0.000 3.149 507 S HA 0.260 4.730 4.470 0.001 0.000 0.228 507 S C 0.422 174.808 174.600 -0.357 0.000 1.393 507 S CA -0.236 57.845 58.200 -0.199 0.000 1.224 507 S CB -0.412 62.698 63.200 -0.151 0.000 1.112 507 S HN 0.615 nan 8.310 nan 0.000 0.502 508 N N 1.132 119.644 118.700 -0.315 0.000 1.975 508 N HA -0.004 4.736 4.740 0.001 0.000 0.220 508 N C -0.921 174.420 175.510 -0.282 0.000 1.413 508 N CA 0.274 53.075 53.050 -0.416 0.000 0.722 508 N CB 0.513 38.474 38.487 -0.877 0.000 1.151 508 N HN 0.498 nan 8.380 nan 0.000 0.557 509 D N 0.632 121.031 120.400 -0.003 0.000 2.697 509 D HA -0.242 4.398 4.640 0.001 0.000 0.238 509 D C -1.437 174.982 176.300 0.199 0.000 1.152 509 D CA 0.997 55.179 54.000 0.302 0.000 0.666 509 D CB -1.395 39.590 40.800 0.308 0.000 1.037 509 D HN 0.280 nan 8.370 nan 0.000 0.423 510 Y N 0.260 120.725 120.300 0.274 0.000 2.393 510 Y HA 0.455 5.006 4.550 0.001 0.000 0.341 510 Y C 0.749 176.453 175.900 -0.327 0.000 0.988 510 Y CA -0.949 57.176 58.100 0.042 0.000 1.078 510 Y CB 1.848 40.422 38.460 0.190 0.000 1.203 510 Y HN 0.032 nan 8.280 nan 0.000 0.453 511 S N 2.776 117.997 115.700 -0.800 0.000 2.558 511 S HA -0.041 4.430 4.470 0.001 0.000 0.291 511 S C 0.375 174.857 174.600 -0.196 0.000 1.306 511 S CA 0.297 57.896 58.200 -1.001 0.000 1.056 511 S CB 0.094 62.788 63.200 -0.843 0.000 0.836 511 S HN 0.694 nan 8.310 nan 0.000 0.504 512 F N 3.468 123.303 119.950 -0.192 0.000 2.752 512 F HA 0.342 4.870 4.527 0.001 0.000 0.310 512 F C 1.393 177.127 175.800 -0.110 0.000 1.097 512 F CA -0.320 57.603 58.000 -0.129 0.000 1.238 512 F CB 0.039 39.045 39.000 0.009 0.000 1.061 512 F HN 0.636 nan 8.300 nan 0.000 0.591 513 I N 1.898 122.482 120.570 0.024 0.000 2.614 513 I HA -0.205 3.965 4.170 0.001 0.000 0.258 513 I C 2.590 178.676 176.117 -0.053 0.000 1.189 513 I CA 1.209 62.502 61.300 -0.012 0.000 1.462 513 I CB -0.582 37.464 38.000 0.078 0.000 1.092 513 I HN 0.164 nan 8.210 nan 0.000 0.442 514 R N -0.286 120.140 120.500 -0.124 0.000 2.165 514 R HA -0.304 4.036 4.340 0.001 0.000 0.254 514 R C 1.811 178.008 176.300 -0.172 0.000 1.153 514 R CA 2.385 58.388 56.100 -0.161 0.000 0.971 514 R CB -1.576 28.484 30.300 -0.400 0.000 0.878 514 R HN 0.315 nan 8.270 nan 0.000 0.449 515 Y N -0.513 119.662 120.300 -0.209 0.000 2.439 515 Y HA -0.081 4.469 4.550 0.001 0.000 0.292 515 Y C 2.194 178.013 175.900 -0.135 0.000 1.130 515 Y CA 0.391 58.348 58.100 -0.239 0.000 1.254 515 Y CB -0.651 37.505 38.460 -0.507 0.000 1.000 515 Y HN 0.184 nan 8.280 nan 0.000 0.554 516 Y N 0.789 121.035 120.300 -0.089 0.000 2.153 516 Y HA -0.202 4.349 4.550 0.001 0.000 0.289 516 Y C 2.761 178.549 175.900 -0.188 0.000 1.119 516 Y CA 2.064 60.098 58.100 -0.109 0.000 1.116 516 Y CB -0.478 37.908 38.460 -0.123 0.000 1.004 516 Y HN 0.152 nan 8.280 nan 0.000 0.501 517 T N -0.476 114.094 114.554 0.026 0.000 2.759 517 T HA -0.265 4.086 4.350 0.001 0.000 0.269 517 T C 2.056 176.403 174.700 -0.589 0.000 1.042 517 T CA 1.543 63.400 62.100 -0.405 0.000 1.140 517 T CB -0.645 67.930 68.868 -0.489 0.000 0.864 517 T HN 0.433 nan 8.240 nan 0.000 0.455 518 R N 1.049 121.438 120.500 -0.185 0.000 2.097 518 R HA -0.153 4.187 4.340 0.001 0.000 0.236 518 R C 2.456 178.658 176.300 -0.163 0.000 1.135 518 R CA 2.237 58.302 56.100 -0.058 0.000 0.934 518 R CB -1.195 29.137 30.300 0.052 0.000 0.846 518 R HN 0.441 nan 8.270 nan 0.000 0.431 519 T N 1.845 116.311 114.554 -0.146 0.000 2.635 519 T HA -0.179 4.171 4.350 0.001 0.000 0.267 519 T C 1.795 176.426 174.700 -0.115 0.000 1.040 519 T CA 1.558 63.580 62.100 -0.129 0.000 1.156 519 T CB -0.281 68.521 68.868 -0.110 0.000 0.863 519 T HN 0.108 nan 8.240 nan 0.000 0.430 520 L N -0.138 120.943 121.223 -0.237 0.000 1.989 520 L HA -0.072 4.268 4.340 0.001 0.000 0.211 520 L C 2.201 179.012 176.870 -0.098 0.000 1.071 520 L CA 1.725 56.460 54.840 -0.174 0.000 0.749 520 L CB -0.941 40.936 42.059 -0.304 0.000 0.890 520 L HN 0.265 nan 8.230 nan 0.000 0.431 521 Y N 0.485 120.629 120.300 -0.260 0.000 2.053 521 Y HA -0.367 4.184 4.550 0.001 0.000 0.277 521 Y C 2.777 178.240 175.900 -0.728 0.000 1.159 521 Y CA 1.777 59.576 58.100 -0.501 0.000 1.125 521 Y CB -1.363 36.628 38.460 -0.782 0.000 0.969 521 Y HN 0.491 nan 8.280 nan 0.000 0.492 522 Q N -1.242 118.208 119.800 -0.582 0.000 2.197 522 Q HA -0.233 4.107 4.340 0.001 0.000 0.207 522 Q C 1.665 177.376 176.000 -0.483 0.000 0.984 522 Q CA 2.065 57.454 55.803 -0.689 0.000 0.869 522 Q CB -0.974 27.371 28.738 -0.656 0.000 0.906 522 Q HN 0.408 nan 8.270 nan 0.000 0.426 523 F N 1.498 121.347 119.950 -0.167 0.000 2.661 523 F HA 0.047 4.574 4.527 0.001 0.000 0.298 523 F C 2.209 178.022 175.800 0.022 0.000 1.137 523 F CA 0.761 58.709 58.000 -0.087 0.000 1.454 523 F CB 0.074 39.010 39.000 -0.108 0.000 1.103 523 F HN 0.139 nan 8.300 nan 0.000 0.577 524 Q N -0.976 118.938 119.800 0.190 0.000 2.089 524 Q HA -0.086 4.254 4.340 0.001 0.000 0.195 524 Q C 2.015 178.194 176.000 0.298 0.000 0.963 524 Q CA 0.968 56.916 55.803 0.242 0.000 0.834 524 Q CB -0.514 28.391 28.738 0.278 0.000 0.906 524 Q HN 0.232 nan 8.270 nan 0.000 0.452 525 F N 2.159 122.097 119.950 -0.020 0.000 2.043 525 F HA -0.290 4.237 4.527 0.001 0.000 0.297 525 F C 2.681 178.457 175.800 -0.040 0.000 1.118 525 F CA 1.816 59.776 58.000 -0.067 0.000 1.202 525 F CB -1.158 37.755 39.000 -0.146 0.000 0.965 525 F HN 0.123 nan 8.300 nan 0.000 0.482 526 Q N 0.372 120.274 119.800 0.171 0.000 2.077 526 Q HA -0.243 4.097 4.340 0.001 0.000 0.206 526 Q C 2.196 178.267 176.000 0.119 0.000 0.989 526 Q CA 2.243 58.103 55.803 0.096 0.000 0.853 526 Q CB -0.474 28.298 28.738 0.057 0.000 0.907 526 Q HN 0.555 nan 8.270 nan 0.000 0.418 527 E N -0.869 119.429 120.200 0.163 0.000 2.012 527 E HA -0.244 4.106 4.350 0.001 0.000 0.197 527 E C 1.834 178.501 176.600 0.112 0.000 1.007 527 E CA 1.362 57.852 56.400 0.151 0.000 0.816 527 E CB -0.442 29.358 29.700 0.166 0.000 0.762 527 E HN 0.441 nan 8.360 nan 0.000 0.451 528 A N 0.388 123.272 122.820 0.107 0.000 1.986 528 A HA -0.186 4.135 4.320 0.001 0.000 0.220 528 A C 2.132 179.740 177.584 0.039 0.000 1.171 528 A CA 1.410 53.488 52.037 0.068 0.000 0.640 528 A CB -0.564 18.470 19.000 0.057 0.000 0.811 528 A HN 0.356 nan 8.150 nan 0.000 0.451 529 L N -1.181 120.063 121.223 0.035 0.000 2.179 529 L HA -0.079 4.261 4.340 0.001 0.000 0.208 529 L C 2.351 179.235 176.870 0.024 0.000 1.096 529 L CA 1.371 56.218 54.840 0.012 0.000 0.779 529 L CB -0.332 41.727 42.059 0.000 0.000 0.922 529 L HN 0.496 nan 8.230 nan 0.000 0.443 530 c N -1.367 117.259 118.600 0.043 0.000 2.481 530 c HA -0.067 4.504 4.570 0.001 0.000 0.275 530 c C 2.661 176.816 174.090 0.109 0.000 1.419 530 c CA 0.263 56.625 56.329 0.056 0.000 1.773 530 c CB -0.744 41.776 42.510 0.018 0.000 1.862 530 c HN 0.601 nan 8.230 nan 0.000 0.530 531 Q N 1.542 121.393 119.800 0.085 0.000 2.049 531 Q HA -0.088 4.252 4.340 0.001 0.000 0.198 531 Q C 2.303 178.334 176.000 0.052 0.000 0.971 531 Q CA 1.706 57.554 55.803 0.074 0.000 0.833 531 Q CB -0.229 28.548 28.738 0.065 0.000 0.896 531 Q HN 0.577 nan 8.270 nan 0.000 0.434 532 A N 0.594 123.435 122.820 0.036 0.000 1.968 532 A HA 0.097 4.418 4.320 0.001 0.000 0.217 532 A C 2.053 179.648 177.584 0.019 0.000 1.169 532 A CA 1.172 53.221 52.037 0.020 0.000 0.638 532 A CB -0.557 18.447 19.000 0.005 0.000 0.812 532 A HN 0.497 nan 8.150 nan 0.000 0.446 533 A N -0.527 122.309 122.820 0.027 0.000 2.261 533 A HA 0.244 4.565 4.320 0.001 0.000 0.208 533 A C 0.438 178.054 177.584 0.053 0.000 1.223 533 A CA 0.115 52.168 52.037 0.027 0.000 0.833 533 A CB -0.385 18.628 19.000 0.021 0.000 0.830 533 A HN 0.291 nan 8.150 nan 0.000 0.483 534 K N 0.530 120.963 120.400 0.055 0.000 4.856 534 K HA -0.220 4.101 4.320 0.001 0.000 0.306 534 K C -0.531 176.120 176.600 0.085 0.000 0.895 534 K CA 1.104 57.422 56.287 0.052 0.000 0.963 534 K CB -1.773 30.742 32.500 0.024 0.000 1.737 534 K HN 0.902 nan 8.250 nan 0.000 0.424 535 H N -0.610 118.462 119.070 0.002 0.000 2.505 535 H HA 0.338 4.895 4.556 0.001 0.000 0.338 535 H C 0.885 176.210 175.328 -0.005 0.000 1.057 535 H CA -0.517 55.530 56.048 -0.002 0.000 1.202 535 H CB 1.522 31.286 29.762 0.002 0.000 1.466 535 H HN 0.384 nan 8.280 nan 0.000 0.499 536 E N 3.032 122.856 120.200 -0.627 0.000 2.022 536 E HA 0.156 4.506 4.350 0.001 0.000 0.190 536 E C 1.249 177.556 176.600 -0.488 0.000 0.973 536 E CA 0.865 57.014 56.400 -0.418 0.000 0.816 536 E CB -0.221 29.333 29.700 -0.243 0.000 0.781 536 E HN 0.815 nan 8.360 nan 0.000 0.456 537 G N 0.588 109.025 108.800 -0.606 0.000 2.479 537 G HA2 0.162 4.123 3.960 0.001 0.000 0.275 537 G HA3 0.162 4.123 3.960 0.001 0.000 0.275 537 G C -2.174 172.652 174.900 -0.124 0.000 1.421 537 G CA -0.772 44.159 45.100 -0.282 0.000 1.059 537 G HN 0.146 nan 8.290 nan 0.000 0.535 538 P HA 0.065 nan 4.420 nan 0.000 0.268 538 P C 0.965 178.326 177.300 0.101 0.000 1.205 538 P CA -0.586 62.533 63.100 0.030 0.000 0.771 538 P CB 0.744 32.450 31.700 0.010 0.000 0.858 539 L N 3.611 124.907 121.223 0.122 0.000 2.129 539 L HA -0.220 4.120 4.340 0.001 0.000 0.212 539 L C 2.112 178.984 176.870 0.003 0.000 1.087 539 L CA 1.945 56.857 54.840 0.120 0.000 0.757 539 L CB -1.286 40.877 42.059 0.174 0.000 0.896 539 L HN 0.550 nan 8.230 nan 0.000 0.434 540 H N -1.487 117.447 119.070 -0.227 0.000 2.555 540 H HA -0.012 4.544 4.556 0.001 0.000 0.269 540 H C 1.396 176.656 175.328 -0.113 0.000 0.988 540 H CA 0.706 56.548 56.048 -0.343 0.000 1.178 540 H CB -0.246 29.010 29.762 -0.844 0.000 1.373 540 H HN 0.407 nan 8.280 nan 0.000 0.588 541 K N 0.701 120.771 120.400 -0.550 0.000 2.417 541 K HA 0.087 4.407 4.320 0.001 0.000 0.196 541 K C 0.208 176.666 176.600 -0.237 0.000 1.023 541 K CA -0.165 55.907 56.287 -0.359 0.000 1.122 541 K CB 0.150 32.476 32.500 -0.290 0.000 0.850 541 K HN 0.207 nan 8.250 nan 0.000 0.521 542 c N 1.742 120.090 118.600 -0.420 0.000 2.601 542 c HA 0.229 4.799 4.570 0.001 0.000 0.409 542 c C -0.366 173.573 174.090 -0.251 0.000 1.293 542 c CA -0.396 55.529 56.329 -0.673 0.000 2.101 542 c CB 0.146 42.222 42.510 -0.724 0.000 2.639 542 c HN 0.351 nan 8.230 nan 0.000 0.592 543 D N 3.917 124.221 120.400 -0.160 0.000 2.476 543 D HA 0.256 4.897 4.640 0.001 0.000 0.251 543 D C 0.682 176.986 176.300 0.006 0.000 1.291 543 D CA -0.615 53.368 54.000 -0.029 0.000 0.939 543 D CB 0.669 41.507 40.800 0.064 0.000 1.221 543 D HN 0.619 nan 8.370 nan 0.000 0.567 544 I N 0.286 120.867 120.570 0.017 0.000 3.334 544 I HA 0.126 4.297 4.170 0.001 0.000 0.282 544 I C 0.325 176.387 176.117 -0.093 0.000 1.313 544 I CA -0.344 60.947 61.300 -0.015 0.000 1.396 544 I CB -0.322 37.672 38.000 -0.009 0.000 1.054 544 I HN 0.004 nan 8.210 nan 0.000 0.495 545 S N 1.686 117.363 115.700 -0.038 0.000 2.572 545 S HA -0.007 4.463 4.470 0.001 0.000 0.267 545 S C 0.685 175.227 174.600 -0.097 0.000 1.361 545 S CA 0.078 58.194 58.200 -0.141 0.000 1.009 545 S CB -0.026 63.279 63.200 0.176 0.000 0.888 545 S HN 0.686 nan 8.310 nan 0.000 0.553 546 N N -0.269 118.355 118.700 -0.126 0.000 2.701 546 N HA -0.220 4.521 4.740 0.001 0.000 0.250 546 N C 0.743 176.210 175.510 -0.072 0.000 1.046 546 N CA 0.594 53.599 53.050 -0.077 0.000 0.733 546 N CB -0.605 37.868 38.487 -0.023 0.000 0.973 546 N HN 0.487 nan 8.380 nan 0.000 0.541 547 S N -1.660 113.977 115.700 -0.105 0.000 2.510 547 S HA 0.050 4.520 4.470 0.001 0.000 0.230 547 S C 1.348 175.907 174.600 -0.069 0.000 1.066 547 S CA 1.504 59.660 58.200 -0.073 0.000 0.941 547 S CB 0.329 63.487 63.200 -0.071 0.000 0.829 547 S HN 0.495 nan 8.310 nan 0.000 0.530 548 T N 1.659 116.158 114.554 -0.090 0.000 13.450 548 T HA -0.337 4.013 4.350 0.001 0.000 0.419 548 T C 1.112 175.777 174.700 -0.059 0.000 1.441 548 T CA 2.311 64.365 62.100 -0.077 0.000 2.355 548 T CB -1.834 66.994 68.868 -0.067 0.000 2.797 548 T HN 0.834 nan 8.240 nan 0.000 0.561 549 E N 2.518 122.691 120.200 -0.044 0.000 2.333 549 E HA 0.085 4.435 4.350 0.001 0.000 0.200 549 E C 2.150 178.732 176.600 -0.030 0.000 1.010 549 E CA 1.318 57.698 56.400 -0.032 0.000 0.841 549 E CB -0.279 29.407 29.700 -0.023 0.000 0.757 549 E HN 0.749 nan 8.360 nan 0.000 0.508 550 A N 1.910 124.707 122.820 -0.037 0.000 1.843 550 A HA 0.117 4.437 4.320 0.001 0.000 0.213 550 A C 2.559 180.118 177.584 -0.042 0.000 1.202 550 A CA 1.148 53.162 52.037 -0.038 0.000 0.607 550 A CB -1.349 17.627 19.000 -0.041 0.000 0.847 550 A HN 0.365 nan 8.150 nan 0.000 0.445 551 G N -0.438 108.332 108.800 -0.051 0.000 2.574 551 G HA2 -0.405 3.555 3.960 0.001 0.000 0.220 551 G HA3 -0.405 3.555 3.960 0.001 0.000 0.220 551 G C 1.596 176.501 174.900 0.008 0.000 1.173 551 G CA 1.760 46.843 45.100 -0.029 0.000 0.772 551 G HN 0.535 nan 8.290 nan 0.000 0.585 552 Q N 0.572 120.366 119.800 -0.010 0.000 2.047 552 Q HA -0.174 4.166 4.340 0.001 0.000 0.211 552 Q C 2.443 178.466 176.000 0.038 0.000 1.005 552 Q CA 2.456 58.267 55.803 0.014 0.000 0.866 552 Q CB -0.512 28.214 28.738 -0.019 0.000 0.938 552 Q HN 0.559 nan 8.270 nan 0.000 0.414 553 K N -0.942 119.455 120.400 -0.005 0.000 2.152 553 K HA -0.167 4.153 4.320 0.001 0.000 0.206 553 K C 1.952 178.509 176.600 -0.071 0.000 1.048 553 K CA 1.241 57.511 56.287 -0.029 0.000 0.933 553 K CB -0.220 32.257 32.500 -0.038 0.000 0.721 553 K HN 0.277 nan 8.250 nan 0.000 0.447 554 L N -0.180 120.998 121.223 -0.076 0.000 2.049 554 L HA -0.016 4.324 4.340 0.001 0.000 0.203 554 L C 1.881 178.676 176.870 -0.124 0.000 1.074 554 L CA 1.364 56.113 54.840 -0.152 0.000 0.749 554 L CB -0.562 41.418 42.059 -0.132 0.000 0.907 554 L HN 0.127 nan 8.230 nan 0.000 0.439 555 F N 0.610 120.472 119.950 -0.148 0.000 2.307 555 F HA -0.249 4.278 4.527 0.001 0.000 0.301 555 F C 1.952 177.693 175.800 -0.099 0.000 1.076 555 F CA 1.672 59.596 58.000 -0.126 0.000 1.383 555 F CB -0.375 38.568 39.000 -0.094 0.000 1.055 555 F HN 0.280 nan 8.300 nan 0.000 0.526 556 N N 0.196 118.906 118.700 0.016 0.000 2.166 556 N HA -0.197 4.544 4.740 0.001 0.000 0.186 556 N C 1.643 177.073 175.510 -0.133 0.000 1.019 556 N CA 1.947 54.980 53.050 -0.028 0.000 0.856 556 N CB -0.277 38.212 38.487 0.005 0.000 0.993 556 N HN 0.495 nan 8.380 nan 0.000 0.426 557 M N -1.781 117.711 119.600 -0.178 0.000 2.441 557 M HA 0.297 4.777 4.480 0.001 0.000 0.244 557 M C 0.683 176.860 176.300 -0.205 0.000 1.122 557 M CA 1.036 56.242 55.300 -0.156 0.000 1.041 557 M CB 0.192 32.719 32.600 -0.122 0.000 1.438 557 M HN -0.139 nan 8.290 nan 0.000 0.484 558 L N 1.355 122.350 121.223 -0.380 0.000 2.240 558 L HA 0.140 4.481 4.340 0.001 0.000 0.211 558 L C 2.552 179.258 176.870 -0.273 0.000 1.106 558 L CA 1.552 56.127 54.840 -0.442 0.000 0.793 558 L CB -0.828 40.875 42.059 -0.593 0.000 0.927 558 L HN 0.614 nan 8.230 nan 0.000 0.446 559 R N -1.524 118.674 120.500 -0.504 0.000 2.313 559 R HA 0.008 4.349 4.340 0.001 0.000 0.199 559 R C 1.026 177.284 176.300 -0.072 0.000 0.958 559 R CA 0.671 56.538 56.100 -0.388 0.000 1.047 559 R CB -0.133 29.851 30.300 -0.527 0.000 0.955 559 R HN 0.179 nan 8.270 nan 0.000 0.481 560 L N 0.055 121.272 121.223 -0.009 0.000 2.388 560 L HA 0.371 4.712 4.340 0.001 0.000 0.209 560 L C 1.610 178.494 176.870 0.023 0.000 1.061 560 L CA 1.086 55.927 54.840 0.002 0.000 0.834 560 L CB -0.813 41.222 42.059 -0.039 0.000 1.029 560 L HN 0.402 nan 8.230 nan 0.000 0.473 561 G N 0.586 109.481 108.800 0.160 0.000 2.627 561 G HA2 -0.445 3.516 3.960 0.001 0.000 0.312 561 G HA3 -0.445 3.516 3.960 0.001 0.000 0.312 561 G C 1.039 175.861 174.900 -0.131 0.000 1.299 561 G CA 0.765 45.858 45.100 -0.011 0.000 0.989 561 G HN 0.293 nan 8.290 nan 0.000 0.547 562 K N 0.617 120.883 120.400 -0.224 0.000 2.574 562 K HA 0.117 4.438 4.320 0.001 0.000 0.193 562 K C 2.745 179.273 176.600 -0.120 0.000 1.035 562 K CA 0.944 57.130 56.287 -0.168 0.000 0.982 562 K CB -0.183 32.211 32.500 -0.177 0.000 0.795 562 K HN 0.408 nan 8.250 nan 0.000 0.491 563 S N 0.567 116.200 115.700 -0.112 0.000 2.382 563 S HA -0.103 4.368 4.470 0.001 0.000 0.228 563 S C 0.515 175.069 174.600 -0.077 0.000 1.027 563 S CA 1.097 59.248 58.200 -0.082 0.000 0.991 563 S CB 0.187 63.347 63.200 -0.067 0.000 0.823 563 S HN 0.176 nan 8.310 nan 0.000 0.469 564 E N 0.827 120.974 120.200 -0.087 0.000 2.299 564 E HA 0.464 4.815 4.350 0.001 0.000 0.265 564 E C -2.899 173.646 176.600 -0.092 0.000 0.911 564 E CA -2.668 53.671 56.400 -0.101 0.000 0.789 564 E CB 0.983 30.609 29.700 -0.123 0.000 1.246 564 E HN 0.103 nan 8.360 nan 0.000 0.427 565 P HA -0.079 nan 4.420 nan 0.000 0.264 565 P C 1.212 178.452 177.300 -0.100 0.000 1.193 565 P CA -0.021 63.040 63.100 -0.065 0.000 0.763 565 P CB 0.165 31.816 31.700 -0.082 0.000 0.810 566 W N 3.787 125.000 121.300 -0.145 0.000 2.305 566 W HA -0.280 4.380 4.660 0.001 0.000 0.308 566 W C 1.154 177.691 176.519 0.030 0.000 1.226 566 W CA 2.241 59.434 57.345 -0.252 0.000 1.253 566 W CB -2.741 26.528 29.460 -0.318 0.000 1.146 566 W HN 0.391 nan 8.180 nan 0.000 0.507 567 T N 1.030 115.073 114.554 -0.853 0.000 2.649 567 T HA -0.364 3.987 4.350 0.001 0.000 0.268 567 T C 1.899 176.595 174.700 -0.007 0.000 1.036 567 T CA 2.450 64.177 62.100 -0.623 0.000 1.157 567 T CB -1.142 67.353 68.868 -0.621 0.000 0.861 567 T HN 0.167 nan 8.240 nan 0.000 0.445 568 L N 2.073 123.381 121.223 0.141 0.000 2.005 568 L HA 0.314 4.655 4.340 0.001 0.000 0.207 568 L C 2.969 179.890 176.870 0.085 0.000 1.072 568 L CA 1.918 56.862 54.840 0.173 0.000 0.744 568 L CB -1.536 40.428 42.059 -0.158 0.000 0.895 568 L HN 0.370 nan 8.230 nan 0.000 0.433 569 A N -0.310 122.529 122.820 0.032 0.000 1.903 569 A HA -0.287 4.034 4.320 0.001 0.000 0.219 569 A C 2.315 180.007 177.584 0.179 0.000 1.191 569 A CA 2.407 54.476 52.037 0.054 0.000 0.638 569 A CB -1.286 17.681 19.000 -0.055 0.000 0.823 569 A HN 0.548 nan 8.150 nan 0.000 0.451 570 L N -0.173 121.254 121.223 0.341 0.000 2.083 570 L HA -0.136 4.204 4.340 0.001 0.000 0.209 570 L C 2.287 179.256 176.870 0.165 0.000 1.083 570 L CA 2.669 57.724 54.840 0.360 0.000 0.752 570 L CB -0.533 41.844 42.059 0.531 0.000 0.899 570 L HN 0.613 nan 8.230 nan 0.000 0.433 571 E N -0.485 119.797 120.200 0.136 0.000 2.077 571 E HA -0.276 4.074 4.350 0.001 0.000 0.193 571 E C 1.807 178.444 176.600 0.061 0.000 0.989 571 E CA 1.439 57.897 56.400 0.098 0.000 0.800 571 E CB -0.083 29.698 29.700 0.135 0.000 0.746 571 E HN 0.587 nan 8.360 nan 0.000 0.452 572 N N -0.148 118.579 118.700 0.046 0.000 2.258 572 N HA -0.180 4.560 4.740 0.001 0.000 0.187 572 N C 1.664 177.150 175.510 -0.040 0.000 1.012 572 N CA 1.716 54.766 53.050 0.001 0.000 0.870 572 N CB 0.035 38.510 38.487 -0.020 0.000 0.977 572 N HN 0.289 nan 8.380 nan 0.000 0.434 573 V N -3.338 116.530 119.914 -0.078 0.000 3.212 573 V HA 0.168 4.288 4.120 0.001 0.000 0.244 573 V C 1.713 177.767 176.094 -0.067 0.000 1.151 573 V CA 0.693 62.907 62.300 -0.142 0.000 1.119 573 V CB -0.330 31.269 31.823 -0.372 0.000 0.838 573 V HN 0.140 nan 8.190 nan 0.000 0.470 574 V N -1.617 118.295 119.914 -0.003 0.000 2.599 574 V HA 0.756 4.877 4.120 0.001 0.000 0.237 574 V C 1.869 177.992 176.094 0.048 0.000 1.081 574 V CA 1.459 63.789 62.300 0.051 0.000 1.107 574 V CB -0.214 31.678 31.823 0.115 0.000 0.808 574 V HN 1.320 nan 8.190 nan 0.000 0.486 575 G N -0.126 108.705 108.800 0.051 0.000 2.173 575 G HA2 0.329 4.290 3.960 0.001 0.000 0.142 575 G HA3 0.329 4.290 3.960 0.001 0.000 0.142 575 G C 0.015 174.939 174.900 0.041 0.000 1.019 575 G CA 0.064 45.189 45.100 0.043 0.000 0.699 575 G HN 1.606 nan 8.290 nan 0.000 0.495 576 A N -0.321 122.532 122.820 0.055 0.000 2.469 576 A HA 0.838 5.158 4.320 0.001 0.000 0.299 576 A C 0.635 178.237 177.584 0.031 0.000 1.098 576 A CA -0.296 51.767 52.037 0.043 0.000 0.737 576 A CB 1.084 20.128 19.000 0.075 0.000 1.312 576 A HN 0.115 nan 8.150 nan 0.000 0.414 577 K N 0.355 120.737 120.400 -0.030 0.000 2.444 577 K HA 0.113 4.433 4.320 0.001 0.000 0.193 577 K C 0.061 176.634 176.600 -0.045 0.000 1.024 577 K CA 0.256 56.476 56.287 -0.112 0.000 1.077 577 K CB 0.115 32.461 32.500 -0.258 0.000 0.833 577 K HN 0.567 nan 8.250 nan 0.000 0.517 578 N N 0.005 118.770 118.700 0.108 0.000 3.204 578 N HA 0.233 4.973 4.740 0.001 0.000 0.285 578 N C -1.501 174.238 175.510 0.382 0.000 1.536 578 N CA -0.663 52.541 53.050 0.257 0.000 0.832 578 N CB 1.300 39.932 38.487 0.240 0.000 1.645 578 N HN -0.120 nan 8.380 nan 0.000 0.586 579 M N 1.743 121.614 119.600 0.451 0.000 2.184 579 M HA 0.202 4.682 4.480 0.001 0.000 0.351 579 M C -0.601 175.853 176.300 0.257 0.000 1.395 579 M CA 0.136 55.662 55.300 0.376 0.000 1.117 579 M CB -0.171 32.605 32.600 0.294 0.000 1.708 579 M HN 0.353 nan 8.290 nan 0.000 0.468 580 N N 3.518 122.350 118.700 0.220 0.000 2.354 580 N HA 0.233 4.973 4.740 0.001 0.000 0.287 580 N C 0.091 175.681 175.510 0.133 0.000 1.016 580 N CA -0.537 52.617 53.050 0.174 0.000 0.871 580 N CB 2.095 40.679 38.487 0.162 0.000 1.299 580 N HN 0.636 nan 8.380 nan 0.000 0.482 581 V N 5.041 125.021 119.914 0.111 0.000 2.649 581 V HA -0.059 4.062 4.120 0.001 0.000 0.248 581 V C 2.491 178.608 176.094 0.040 0.000 1.054 581 V CA 1.272 63.607 62.300 0.057 0.000 1.073 581 V CB -0.615 31.231 31.823 0.038 0.000 0.699 581 V HN 0.772 nan 8.190 nan 0.000 0.463 582 R N 0.715 121.245 120.500 0.051 0.000 2.191 582 R HA -0.246 4.095 4.340 0.001 0.000 0.248 582 R C -0.149 176.177 176.300 0.044 0.000 1.127 582 R CA 2.987 59.109 56.100 0.037 0.000 0.943 582 R CB -1.903 28.431 30.300 0.056 0.000 0.891 582 R HN 0.479 nan 8.270 nan 0.000 0.439 583 P HA -0.148 nan 4.420 nan 0.000 0.215 583 P C 1.483 178.825 177.300 0.070 0.000 1.153 583 P CA 1.057 64.225 63.100 0.114 0.000 0.853 583 P CB -0.260 31.544 31.700 0.174 0.000 0.788 584 L N -0.886 120.349 121.223 0.020 0.000 2.043 584 L HA -0.191 4.150 4.340 0.001 0.000 0.212 584 L C 2.112 178.907 176.870 -0.125 0.000 1.075 584 L CA 1.914 56.613 54.840 -0.235 0.000 0.752 584 L CB -1.240 40.743 42.059 -0.126 0.000 0.891 584 L HN -0.128 nan 8.230 nan 0.000 0.432 585 L N -0.717 120.485 121.223 -0.036 0.000 2.109 585 L HA -0.147 4.193 4.340 0.001 0.000 0.207 585 L C 2.200 179.071 176.870 0.001 0.000 1.086 585 L CA 1.596 56.423 54.840 -0.022 0.000 0.760 585 L CB -0.801 41.202 42.059 -0.093 0.000 0.910 585 L HN 0.411 nan 8.230 nan 0.000 0.437 586 N N -0.732 117.974 118.700 0.009 0.000 2.166 586 N HA -0.250 4.490 4.740 0.001 0.000 0.186 586 N C 1.894 177.418 175.510 0.025 0.000 1.019 586 N CA 1.030 54.098 53.050 0.031 0.000 0.856 586 N CB -0.201 38.323 38.487 0.062 0.000 0.993 586 N HN 0.232 nan 8.380 nan 0.000 0.426 587 Y N 0.465 120.656 120.300 -0.183 0.000 2.165 587 Y HA -0.159 4.391 4.550 0.001 0.000 0.286 587 Y C 1.024 176.632 175.900 -0.486 0.000 1.155 587 Y CA 1.583 59.462 58.100 -0.369 0.000 1.164 587 Y CB -0.095 37.903 38.460 -0.769 0.000 0.978 587 Y HN 0.000 nan 8.280 nan 0.000 0.513 588 F N -0.664 119.291 119.950 0.009 0.000 2.641 588 F HA 0.111 4.638 4.527 0.001 0.000 0.302 588 F C 1.887 177.698 175.800 0.018 0.000 1.098 588 F CA -0.219 57.772 58.000 -0.015 0.000 1.318 588 F CB 0.090 39.091 39.000 0.003 0.000 1.035 588 F HN -0.045 nan 8.300 nan 0.000 0.551 589 E N 1.213 121.484 120.200 0.119 0.000 2.118 589 E HA -0.158 4.192 4.350 0.001 0.000 0.195 589 E C -0.571 176.135 176.600 0.177 0.000 0.992 589 E CA 1.393 57.870 56.400 0.128 0.000 0.804 589 E CB -1.230 28.506 29.700 0.061 0.000 0.741 589 E HN 0.312 nan 8.360 nan 0.000 0.458 590 P HA -0.096 nan 4.420 nan 0.000 0.219 590 P C 1.566 178.941 177.300 0.125 0.000 1.150 590 P CA 0.644 63.799 63.100 0.092 0.000 0.814 590 P CB 0.026 31.736 31.700 0.017 0.000 0.787 591 L N -1.631 119.679 121.223 0.144 0.000 2.095 591 L HA 0.008 4.348 4.340 0.001 0.000 0.204 591 L C 2.195 179.222 176.870 0.263 0.000 1.080 591 L CA 1.442 56.396 54.840 0.190 0.000 0.759 591 L CB -1.361 40.829 42.059 0.219 0.000 0.914 591 L HN -0.157 nan 8.230 nan 0.000 0.439 592 F N 0.275 120.286 119.950 0.102 0.000 2.120 592 F HA -0.318 4.209 4.527 0.001 0.000 0.300 592 F C 2.517 178.301 175.800 -0.027 0.000 1.095 592 F CA 2.391 60.406 58.000 0.024 0.000 1.249 592 F CB -0.714 38.296 39.000 0.017 0.000 0.995 592 F HN 0.328 nan 8.300 nan 0.000 0.480 593 T N -2.274 112.351 114.554 0.120 0.000 2.643 593 T HA -0.315 4.035 4.350 0.001 0.000 0.264 593 T C 1.760 176.435 174.700 -0.042 0.000 1.045 593 T CA 1.304 63.396 62.100 -0.013 0.000 1.155 593 T CB -1.617 67.314 68.868 0.105 0.000 0.863 593 T HN 0.591 nan 8.240 nan 0.000 0.420 594 W N 1.932 123.167 121.300 -0.108 0.000 2.301 594 W HA -0.157 4.503 4.660 0.001 0.000 0.325 594 W C 2.081 178.481 176.519 -0.198 0.000 1.250 594 W CA 1.220 58.499 57.345 -0.110 0.000 1.261 594 W CB -0.770 28.654 29.460 -0.060 0.000 1.157 594 W HN 0.077 nan 8.180 nan 0.000 0.473 595 L N 0.810 121.983 121.223 -0.083 0.000 2.010 595 L HA -0.332 4.009 4.340 0.001 0.000 0.219 595 L C 2.312 178.942 176.870 -0.401 0.000 1.077 595 L CA 2.643 57.298 54.840 -0.308 0.000 0.773 595 L CB -1.722 40.240 42.059 -0.161 0.000 0.892 595 L HN 0.164 nan 8.230 nan 0.000 0.436 596 K N -0.571 119.456 120.400 -0.621 0.000 2.063 596 K HA -0.214 4.106 4.320 0.001 0.000 0.208 596 K C 1.835 178.260 176.600 -0.291 0.000 1.048 596 K CA 1.666 57.556 56.287 -0.663 0.000 0.928 596 K CB -0.232 31.806 32.500 -0.770 0.000 0.713 596 K HN 0.480 nan 8.250 nan 0.000 0.442 597 D N 0.413 120.633 120.400 -0.301 0.000 2.123 597 D HA -0.182 4.459 4.640 0.001 0.000 0.200 597 D C 1.673 177.807 176.300 -0.277 0.000 0.976 597 D CA 1.048 54.907 54.000 -0.236 0.000 0.831 597 D CB 0.204 40.880 40.800 -0.206 0.000 0.974 597 D HN 0.050 nan 8.370 nan 0.000 0.469 598 Q N 0.913 120.439 119.800 -0.457 0.000 2.096 598 Q HA -0.151 4.189 4.340 0.001 0.000 0.208 598 Q C 1.724 177.595 176.000 -0.214 0.000 0.993 598 Q CA 1.320 56.843 55.803 -0.467 0.000 0.862 598 Q CB -0.933 27.342 28.738 -0.771 0.000 0.915 598 Q HN 0.589 nan 8.270 nan 0.000 0.416 599 N N 0.435 119.055 118.700 -0.132 0.000 2.521 599 N HA -0.070 4.670 4.740 0.001 0.000 0.188 599 N C 1.266 176.755 175.510 -0.035 0.000 1.146 599 N CA -0.021 53.008 53.050 -0.034 0.000 0.893 599 N CB 0.084 38.600 38.487 0.049 0.000 0.975 599 N HN 0.041 nan 8.380 nan 0.000 0.451 600 K N 1.655 122.017 120.400 -0.063 0.000 2.137 600 K HA -0.227 4.093 4.320 0.001 0.000 0.216 600 K C 0.833 177.418 176.600 -0.025 0.000 1.052 600 K CA 1.770 58.028 56.287 -0.049 0.000 0.939 600 K CB 0.020 32.480 32.500 -0.067 0.000 0.724 600 K HN 0.290 nan 8.250 nan 0.000 0.465 601 N N -1.121 117.565 118.700 -0.024 0.000 2.210 601 N HA 0.046 4.786 4.740 0.001 0.000 0.203 601 N C -0.435 175.082 175.510 0.011 0.000 1.175 601 N CA 0.442 53.488 53.050 -0.008 0.000 0.894 601 N CB 0.709 39.185 38.487 -0.018 0.000 1.041 601 N HN 0.185 nan 8.380 nan 0.000 0.506 602 S N 0.249 115.954 115.700 0.009 0.000 2.632 602 S HA 0.370 4.840 4.470 0.001 0.000 0.267 602 S C -0.131 174.523 174.600 0.090 0.000 1.276 602 S CA -0.749 57.473 58.200 0.038 0.000 0.998 602 S CB 1.031 64.242 63.200 0.018 0.000 0.953 602 S HN 0.175 nan 8.310 nan 0.000 0.547 603 F N 0.992 120.908 119.950 -0.057 0.000 2.396 603 F HA 0.515 5.042 4.527 0.001 0.000 0.343 603 F C -0.531 175.226 175.800 -0.072 0.000 1.104 603 F CA -0.764 57.197 58.000 -0.066 0.000 1.161 603 F CB 0.739 39.703 39.000 -0.061 0.000 1.146 603 F HN 0.317 nan 8.300 nan 0.000 0.522 604 V N 6.235 125.652 119.914 -0.829 0.000 2.370 604 V HA 0.771 4.891 4.120 0.001 0.000 0.283 604 V C 0.275 175.702 176.094 -1.112 0.000 1.023 604 V CA 0.408 62.242 62.300 -0.777 0.000 0.857 604 V CB 0.440 31.849 31.823 -0.690 0.000 0.985 604 V HN 1.183 nan 8.190 nan 0.000 0.443 605 G N 4.801 113.140 108.800 -0.767 0.000 2.422 605 G HA2 0.078 4.038 3.960 0.001 0.000 0.607 605 G HA3 0.078 4.038 3.960 0.001 0.000 0.607 605 G C -1.438 173.262 174.900 -0.333 0.000 1.270 605 G CA -0.211 44.336 45.100 -0.923 0.000 0.992 605 G HN 1.652 nan 8.290 nan 0.000 0.499 606 W N -1.732 119.540 121.300 -0.047 0.000 3.419 606 W HA 0.750 5.410 4.660 0.001 0.000 0.298 606 W C -0.367 176.245 176.519 0.155 0.000 1.260 606 W CA -0.712 56.702 57.345 0.114 0.000 1.199 606 W CB 1.035 30.518 29.460 0.038 0.000 1.349 606 W HN 0.995 nan 8.180 nan 0.000 0.557 607 S N 1.014 116.948 115.700 0.390 0.000 2.513 607 S HA 0.258 4.729 4.470 0.001 0.000 0.276 607 S C 1.355 176.177 174.600 0.371 0.000 1.254 607 S CA 0.392 58.768 58.200 0.293 0.000 1.053 607 S CB 1.029 64.349 63.200 0.201 0.000 0.958 607 S HN 0.669 nan 8.310 nan 0.000 0.491 608 T N 1.309 116.056 114.554 0.322 0.000 2.788 608 T HA -0.126 4.224 4.350 0.001 0.000 0.268 608 T C 0.976 175.810 174.700 0.224 0.000 1.044 608 T CA 1.391 63.665 62.100 0.290 0.000 1.139 608 T CB -0.387 68.624 68.868 0.238 0.000 0.867 608 T HN 0.674 nan 8.240 nan 0.000 0.454 609 D N -0.085 120.434 120.400 0.198 0.000 2.264 609 D HA -0.028 4.613 4.640 0.001 0.000 0.208 609 D C 0.562 176.951 176.300 0.148 0.000 0.966 609 D CA 0.339 54.429 54.000 0.150 0.000 0.864 609 D CB -0.258 40.620 40.800 0.129 0.000 0.933 609 D HN 0.584 nan 8.370 nan 0.000 0.499 610 W N 2.070 123.383 121.300 0.021 0.000 2.190 610 W HA 0.180 4.840 4.660 0.001 0.000 0.330 610 W C -0.317 176.135 176.519 -0.111 0.000 1.299 610 W CA 0.280 57.608 57.345 -0.027 0.000 1.215 610 W CB 0.715 30.174 29.460 -0.002 0.000 1.147 610 W HN -0.389 nan 8.180 nan 0.000 0.563 611 S N 5.790 120.712 115.700 -1.297 0.000 2.546 611 S HA 0.317 4.787 4.470 0.001 0.000 0.274 611 S C -2.356 171.175 174.600 -1.783 0.000 1.121 611 S CA -1.009 56.283 58.200 -1.513 0.000 0.887 611 S CB 2.384 64.785 63.200 -1.332 0.000 1.094 611 S HN 0.423 nan 8.310 nan 0.000 0.474 612 P HA 0.158 nan 4.420 nan 0.000 0.254 612 P C -0.459 176.617 177.300 -0.372 0.000 1.631 612 P CA 0.183 62.850 63.100 -0.721 0.000 0.861 612 P CB -0.652 30.843 31.700 -0.341 0.000 1.663 613 Y N -3.806 116.301 120.300 -0.322 0.000 2.551 613 Y HA 0.587 5.137 4.550 0.001 0.000 0.297 613 Y C 0.427 176.225 175.900 -0.170 0.000 0.968 613 Y CA -0.968 57.012 58.100 -0.200 0.000 1.039 613 Y CB -0.864 37.476 38.460 -0.200 0.000 1.418 613 Y HN 0.131 nan 8.280 nan 0.000 0.589 614 A N 1.480 124.336 122.820 0.060 0.000 6.131 614 A HA 0.091 4.411 4.320 0.001 0.000 0.421 614 A C -0.062 177.611 177.584 0.148 0.000 1.585 614 A CA 1.160 53.227 52.037 0.049 0.000 0.641 614 A CB -1.990 17.008 19.000 -0.003 0.000 2.282 614 A HN 1.007 nan 8.150 nan 0.000 0.449 615 D N 0.000 120.444 120.400 0.073 0.000 6.856 615 D HA 0.000 4.640 4.640 0.001 0.000 0.175 615 D CA 0.000 54.029 54.000 0.048 0.000 0.868 615 D CB 0.000 40.813 40.800 0.022 0.000 0.688 615 D HN 0.000 nan 8.370 nan 0.000 0.683