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 1oz0_1_A DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.302 176.300 0.003 0.000 0.893 4 R CA 0.000 56.105 56.100 0.008 0.000 0.921 4 R CB 0.000 30.305 30.300 0.008 0.000 0.687 5 Q N 1.417 121.217 119.800 -0.001 0.000 2.332 5 Q HA 0.206 4.546 4.340 0.000 0.000 0.263 5 Q C -0.814 175.181 176.000 -0.009 0.000 0.979 5 Q CA -0.226 55.572 55.803 -0.008 0.000 0.885 5 Q CB 1.103 29.833 28.738 -0.013 0.000 1.218 5 Q HN 0.358 nan 8.270 nan 0.000 0.405 6 Q N 2.425 122.216 119.800 -0.015 0.000 2.299 6 Q HA 0.390 4.730 4.340 0.000 0.000 0.246 6 Q C -0.472 175.509 176.000 -0.032 0.000 0.935 6 Q CA -0.369 55.423 55.803 -0.019 0.000 0.887 6 Q CB 1.086 29.812 28.738 -0.020 0.000 1.223 6 Q HN 0.579 nan 8.270 nan 0.000 0.439 7 L N 0.447 121.648 121.223 -0.037 0.000 2.440 7 L HA 0.805 5.145 4.340 0.000 0.000 0.262 7 L C -0.227 176.604 176.870 -0.064 0.000 1.072 7 L CA -1.046 53.764 54.840 -0.051 0.000 0.798 7 L CB 0.830 42.859 42.059 -0.051 0.000 1.307 7 L HN 0.652 nan 8.230 nan 0.000 0.475 8 A N 1.565 124.339 122.820 -0.076 0.000 2.684 8 A HA 0.503 4.823 4.320 0.000 0.000 0.289 8 A C -1.275 176.259 177.584 -0.083 0.000 1.139 8 A CA -0.359 51.625 52.037 -0.087 0.000 0.793 8 A CB 0.781 19.709 19.000 -0.121 0.000 1.334 8 A HN 0.425 nan 8.150 nan 0.000 0.408 9 L N 2.825 124.003 121.223 -0.074 0.000 2.319 9 L HA 0.697 5.037 4.340 0.000 0.000 0.280 9 L C -1.011 175.828 176.870 -0.051 0.000 1.099 9 L CA -0.024 54.775 54.840 -0.069 0.000 0.828 9 L CB 0.496 42.504 42.059 -0.085 0.000 1.150 9 L HN 0.528 nan 8.230 nan 0.000 0.442 10 L N 4.534 125.730 121.223 -0.044 0.000 2.346 10 L HA 0.741 5.081 4.340 0.000 0.000 0.274 10 L C -0.153 176.711 176.870 -0.011 0.000 1.007 10 L CA -0.075 54.752 54.840 -0.021 0.000 0.818 10 L CB 1.909 43.950 42.059 -0.030 0.000 1.284 10 L HN 0.688 nan 8.230 nan 0.000 0.424 11 S N 2.009 117.715 115.700 0.010 0.000 2.277 11 S HA 0.553 5.023 4.470 0.000 0.000 0.230 11 S C -1.470 173.150 174.600 0.035 0.000 0.893 11 S CA -0.568 57.640 58.200 0.013 0.000 1.044 11 S CB 0.462 63.661 63.200 -0.001 0.000 1.252 11 S HN 0.644 nan 8.310 nan 0.000 0.393 12 V N 3.026 122.969 119.914 0.048 0.000 2.638 12 V HA 0.772 4.892 4.120 0.000 0.000 0.306 12 V C 1.012 177.143 176.094 0.062 0.000 1.052 12 V CA 0.030 62.371 62.300 0.069 0.000 0.885 12 V CB 1.310 33.197 31.823 0.107 0.000 0.999 12 V HN 0.908 nan 8.190 nan 0.000 0.424 13 S N 1.922 117.668 115.700 0.077 0.000 2.406 13 S HA -0.022 4.448 4.470 0.000 0.000 0.228 13 S C 0.817 175.461 174.600 0.074 0.000 1.020 13 S CA 1.210 59.452 58.200 0.071 0.000 0.965 13 S CB -0.217 63.065 63.200 0.137 0.000 0.798 13 S HN 1.111 nan 8.310 nan 0.000 0.488 14 E N 1.767 122.027 120.200 0.100 0.000 2.267 14 E HA 0.390 4.740 4.350 0.000 0.000 0.241 14 E C -1.515 175.136 176.600 0.084 0.000 0.950 14 E CA -0.528 55.926 56.400 0.090 0.000 0.776 14 E CB 0.301 30.058 29.700 0.095 0.000 1.207 14 E HN 0.138 nan 8.360 nan 0.000 0.436 15 K N 2.493 122.938 120.400 0.074 0.000 2.228 15 K HA 0.566 4.886 4.320 0.000 0.000 0.284 15 K C -0.797 175.859 176.600 0.092 0.000 1.088 15 K CA -0.024 56.316 56.287 0.089 0.000 0.941 15 K CB 1.078 33.614 32.500 0.059 0.000 1.158 15 K HN 0.412 nan 8.250 nan 0.000 0.438 16 A N 1.461 124.362 122.820 0.135 0.000 2.408 16 A HA 0.641 4.961 4.320 0.000 0.000 0.295 16 A C 0.821 178.532 177.584 0.212 0.000 1.040 16 A CA -0.330 51.775 52.037 0.114 0.000 0.707 16 A CB 1.091 20.120 19.000 0.049 0.000 1.235 16 A HN 0.716 nan 8.150 nan 0.000 0.418 17 G N 0.916 109.820 108.800 0.175 0.000 2.175 17 G HA2 -0.239 3.721 3.960 0.000 0.000 0.265 17 G HA3 -0.239 3.721 3.960 0.000 0.000 0.265 17 G C 0.923 175.974 174.900 0.252 0.000 0.979 17 G CA 1.025 46.267 45.100 0.237 0.000 0.663 17 G HN 1.524 nan 8.290 nan 0.000 0.533 18 L N 0.515 121.855 121.223 0.195 0.000 1.961 18 L HA 0.055 4.395 4.340 0.000 0.000 0.210 18 L C 2.948 179.829 176.870 0.019 0.000 1.072 18 L CA 2.689 57.566 54.840 0.061 0.000 0.749 18 L CB -0.989 41.121 42.059 0.086 0.000 0.889 18 L HN 0.219 nan 8.230 nan 0.000 0.432 19 V N 0.000 119.935 119.914 0.034 0.000 2.231 19 V HA -0.367 3.753 4.120 0.000 0.000 0.250 19 V C 2.687 178.791 176.094 0.018 0.000 1.058 19 V CA 2.166 64.474 62.300 0.013 0.000 1.022 19 V CB -0.721 31.113 31.823 0.019 0.000 0.640 19 V HN 0.649 nan 8.190 nan 0.000 0.445 20 E N -0.509 119.721 120.200 0.052 0.000 2.171 20 E HA -0.255 4.095 4.350 0.000 0.000 0.197 20 E C 1.794 178.454 176.600 0.099 0.000 0.997 20 E CA 1.633 58.073 56.400 0.067 0.000 0.810 20 E CB -0.339 29.413 29.700 0.088 0.000 0.738 20 E HN 0.565 nan 8.360 nan 0.000 0.467 21 F N 0.060 119.927 119.950 -0.138 0.000 2.179 21 F HA 0.264 4.791 4.527 0.000 0.000 0.292 21 F C 2.090 177.770 175.800 -0.200 0.000 1.089 21 F CA 1.055 58.916 58.000 -0.232 0.000 1.295 21 F CB -0.882 37.757 39.000 -0.600 0.000 1.041 21 F HN 0.089 nan 8.300 nan 0.000 0.487 22 A N 0.579 123.290 122.820 -0.182 0.000 1.978 22 A HA -0.230 4.090 4.320 0.000 0.000 0.220 22 A C 2.392 179.858 177.584 -0.197 0.000 1.170 22 A CA 1.878 53.775 52.037 -0.234 0.000 0.636 22 A CB -0.867 18.057 19.000 -0.125 0.000 0.810 22 A HN 0.449 nan 8.150 nan 0.000 0.448 23 R N -0.104 120.323 120.500 -0.121 0.000 2.062 23 R HA -0.099 4.242 4.340 0.000 0.000 0.231 23 R C 2.223 178.456 176.300 -0.112 0.000 1.136 23 R CA 1.818 57.865 56.100 -0.089 0.000 0.948 23 R CB -0.394 29.881 30.300 -0.041 0.000 0.845 23 R HN 0.443 nan 8.270 nan 0.000 0.430 24 S N 0.864 116.492 115.700 -0.119 0.000 2.440 24 S HA -0.118 4.352 4.470 0.000 0.000 0.238 24 S C 1.765 176.250 174.600 -0.192 0.000 1.010 24 S CA 1.085 59.216 58.200 -0.116 0.000 0.972 24 S CB -0.143 63.023 63.200 -0.058 0.000 0.774 24 S HN 0.313 nan 8.310 nan 0.000 0.501 25 L N 1.129 122.171 121.223 -0.301 0.000 2.162 25 L HA 0.050 4.390 4.340 0.000 0.000 0.205 25 L C 2.267 179.029 176.870 -0.180 0.000 1.086 25 L CA 0.781 55.441 54.840 -0.300 0.000 0.778 25 L CB -0.462 41.337 42.059 -0.432 0.000 0.928 25 L HN 0.371 nan 8.230 nan 0.000 0.446 26 N N 0.207 118.818 118.700 -0.148 0.000 2.512 26 N HA -0.099 4.641 4.740 0.000 0.000 0.183 26 N C 1.644 177.107 175.510 -0.078 0.000 1.073 26 N CA 0.629 53.619 53.050 -0.100 0.000 0.911 26 N CB 0.262 38.699 38.487 -0.083 0.000 0.964 26 N HN 0.289 nan 8.380 nan 0.000 0.447 27 A N 0.248 123.019 122.820 -0.082 0.000 2.081 27 A HA 0.122 4.442 4.320 0.000 0.000 0.214 27 A C 1.580 179.131 177.584 -0.055 0.000 1.158 27 A CA 0.249 52.251 52.037 -0.059 0.000 0.724 27 A CB 0.008 18.977 19.000 -0.052 0.000 0.826 27 A HN 0.274 nan 8.150 nan 0.000 0.463 28 L N -0.582 120.597 121.223 -0.072 0.000 2.653 28 L HA 0.242 4.582 4.340 0.000 0.000 0.232 28 L C 1.487 178.324 176.870 -0.055 0.000 1.169 28 L CA 0.380 55.184 54.840 -0.060 0.000 0.951 28 L CB -0.350 41.665 42.059 -0.073 0.000 1.181 28 L HN 0.505 nan 8.230 nan 0.000 0.460 29 G N 0.753 109.520 108.800 -0.054 0.000 2.168 29 G HA2 -0.307 3.653 3.960 0.000 0.000 0.257 29 G HA3 -0.307 3.653 3.960 0.000 0.000 0.257 29 G C 0.189 175.058 174.900 -0.051 0.000 0.997 29 G CA 0.044 45.116 45.100 -0.046 0.000 0.708 29 G HN 0.305 nan 8.290 nan 0.000 0.520 30 L N 0.895 122.077 121.223 -0.069 0.000 2.305 30 L HA 0.551 4.891 4.340 0.000 0.000 0.281 30 L C 1.301 178.127 176.870 -0.074 0.000 1.085 30 L CA -0.098 54.697 54.840 -0.075 0.000 0.813 30 L CB 1.301 43.300 42.059 -0.101 0.000 1.157 30 L HN 0.171 nan 8.230 nan 0.000 0.436 31 G N 4.470 113.234 108.800 -0.060 0.000 2.351 31 G HA2 0.456 4.416 3.960 0.000 0.000 0.287 31 G HA3 0.456 4.416 3.960 0.000 0.000 0.287 31 G C -0.415 174.446 174.900 -0.065 0.000 1.159 31 G CA -0.551 44.516 45.100 -0.055 0.000 0.929 31 G HN 0.474 nan 8.290 nan 0.000 0.435 32 L N 1.542 122.722 121.223 -0.071 0.000 2.395 32 L HA 0.792 5.132 4.340 0.000 0.000 0.269 32 L C -0.183 176.651 176.870 -0.060 0.000 1.133 32 L CA -0.629 54.166 54.840 -0.076 0.000 0.812 32 L CB 0.748 42.754 42.059 -0.088 0.000 1.125 32 L HN 0.379 nan 8.230 nan 0.000 0.452 33 I N 2.103 122.636 120.570 -0.061 0.000 2.582 33 I HA 0.918 5.088 4.170 0.000 0.000 0.292 33 I C -0.225 175.863 176.117 -0.049 0.000 1.066 33 I CA -0.652 60.617 61.300 -0.053 0.000 1.053 33 I CB 1.884 39.848 38.000 -0.060 0.000 1.241 33 I HN 1.043 nan 8.210 nan 0.000 0.421 34 A N 3.483 126.280 122.820 -0.039 0.000 2.590 34 A HA 0.768 5.088 4.320 0.000 0.000 0.294 34 A C -0.871 176.700 177.584 -0.021 0.000 1.046 34 A CA -0.482 51.537 52.037 -0.030 0.000 0.684 34 A CB 1.502 20.485 19.000 -0.027 0.000 1.279 34 A HN 0.733 nan 8.150 nan 0.000 0.415 35 S N 0.138 115.830 115.700 -0.014 0.000 2.798 35 S HA 0.900 5.370 4.470 0.000 0.000 0.312 35 S C 1.118 175.716 174.600 -0.003 0.000 1.122 35 S CA 0.205 58.401 58.200 -0.007 0.000 0.949 35 S CB 0.616 63.815 63.200 -0.003 0.000 1.235 35 S HN 2.734 nan 8.310 nan 0.000 0.552 36 G N 0.818 109.618 108.800 0.001 0.000 2.536 36 G HA2 -0.210 3.750 3.960 0.000 0.000 0.607 36 G HA3 -0.210 3.750 3.960 0.000 0.000 0.607 36 G C 1.132 176.032 174.900 -0.000 0.000 1.383 36 G CA 1.059 46.160 45.100 0.001 0.000 0.926 36 G HN 1.729 nan 8.290 nan 0.000 0.515 37 G N -1.318 107.482 108.800 -0.001 0.000 2.802 37 G HA2 -0.272 3.688 3.960 0.000 0.000 0.222 37 G HA3 -0.272 3.688 3.960 0.000 0.000 0.222 37 G C 1.926 176.827 174.900 0.002 0.000 1.248 37 G CA 3.157 48.257 45.100 -0.001 0.000 0.787 37 G HN 1.234 nan 8.290 nan 0.000 0.643 38 T N 1.688 116.245 114.554 0.005 0.000 2.620 38 T HA -0.200 4.151 4.350 0.000 0.000 0.267 38 T C 2.733 177.432 174.700 -0.002 0.000 1.044 38 T CA 2.705 64.809 62.100 0.007 0.000 1.161 38 T CB -0.689 68.183 68.868 0.008 0.000 0.862 38 T HN 0.566 nan 8.240 nan 0.000 0.438 39 A N 1.216 124.032 122.820 -0.006 0.000 1.858 39 A HA -0.143 4.177 4.320 0.000 0.000 0.216 39 A C 2.618 180.197 177.584 -0.009 0.000 1.190 39 A CA 2.332 54.362 52.037 -0.011 0.000 0.617 39 A CB -1.373 17.621 19.000 -0.011 0.000 0.827 39 A HN 0.528 nan 8.150 nan 0.000 0.443 40 T N 0.640 115.191 114.554 -0.005 0.000 2.684 40 T HA -0.089 4.261 4.350 0.000 0.000 0.267 40 T C 2.157 176.855 174.700 -0.003 0.000 1.036 40 T CA 1.788 63.885 62.100 -0.004 0.000 1.148 40 T CB -0.577 68.289 68.868 -0.002 0.000 0.863 40 T HN 0.621 nan 8.240 nan 0.000 0.436 41 A N 0.719 123.539 122.820 -0.001 0.000 2.070 41 A HA 0.028 4.348 4.320 0.000 0.000 0.220 41 A C 2.084 179.668 177.584 -0.001 0.000 1.159 41 A CA 1.073 53.111 52.037 0.002 0.000 0.656 41 A CB -0.571 18.434 19.000 0.008 0.000 0.800 41 A HN 0.351 nan 8.150 nan 0.000 0.453 42 L N -1.041 120.178 121.223 -0.006 0.000 2.375 42 L HA 0.099 4.439 4.340 0.000 0.000 0.215 42 L C 2.461 179.322 176.870 -0.015 0.000 1.108 42 L CA 1.267 56.098 54.840 -0.014 0.000 0.830 42 L CB -0.476 41.570 42.059 -0.022 0.000 0.959 42 L HN 0.317 nan 8.230 nan 0.000 0.457 43 R N -0.811 119.682 120.500 -0.012 0.000 2.080 43 R HA -0.011 4.329 4.340 0.000 0.000 0.222 43 R C 1.510 177.805 176.300 -0.008 0.000 1.107 43 R CA 0.876 56.970 56.100 -0.011 0.000 0.980 43 R CB -0.221 30.073 30.300 -0.010 0.000 0.879 43 R HN 0.295 nan 8.270 nan 0.000 0.439 44 D N 0.874 121.271 120.400 -0.005 0.000 2.354 44 D HA -0.119 4.521 4.640 0.000 0.000 0.216 44 D C 1.152 177.450 176.300 -0.003 0.000 0.970 44 D CA 1.043 55.041 54.000 -0.003 0.000 0.905 44 D CB 0.203 41.002 40.800 -0.001 0.000 0.903 44 D HN 0.274 nan 8.370 nan 0.000 0.508 45 A N -0.073 122.744 122.820 -0.005 0.000 2.308 45 A HA 0.420 4.740 4.320 0.000 0.000 0.217 45 A C 1.407 178.985 177.584 -0.009 0.000 1.216 45 A CA 0.708 52.742 52.037 -0.005 0.000 0.864 45 A CB 0.256 19.253 19.000 -0.005 0.000 0.902 45 A HN 0.162 nan 8.150 nan 0.000 0.499 46 G N -0.411 108.383 108.800 -0.010 0.000 2.401 46 G HA2 -0.145 3.815 3.960 0.000 0.000 0.283 46 G HA3 -0.145 3.815 3.960 0.000 0.000 0.283 46 G C -0.424 174.465 174.900 -0.018 0.000 1.117 46 G CA 0.362 45.454 45.100 -0.013 0.000 1.051 46 G HN 0.529 nan 8.290 nan 0.000 0.510 47 L N -0.295 120.915 121.223 -0.021 0.000 2.409 47 L HA 0.510 4.850 4.340 0.000 0.000 0.262 47 L C -2.250 174.603 176.870 -0.029 0.000 0.992 47 L CA -2.460 52.362 54.840 -0.029 0.000 0.817 47 L CB 2.789 44.826 42.059 -0.037 0.000 1.350 47 L HN -0.043 nan 8.230 nan 0.000 0.411 48 P HA 0.110 nan 4.420 nan 0.000 0.267 48 P C -1.100 176.180 177.300 -0.034 0.000 1.328 48 P CA -0.025 63.057 63.100 -0.030 0.000 0.990 48 P CB 0.275 31.956 31.700 -0.031 0.000 1.168 49 V N 5.423 125.320 119.914 -0.029 0.000 2.334 49 V HA 0.328 4.448 4.120 0.000 0.000 0.281 49 V C 0.628 176.707 176.094 -0.025 0.000 1.016 49 V CA -0.657 61.624 62.300 -0.030 0.000 0.832 49 V CB 1.333 33.140 31.823 -0.027 0.000 0.999 49 V HN 0.360 nan 8.190 nan 0.000 0.439 50 R N 3.002 123.485 120.500 -0.028 0.000 2.202 50 R HA 0.250 4.590 4.340 0.000 0.000 0.334 50 R C 0.060 176.345 176.300 -0.025 0.000 1.036 50 R CA -0.500 55.586 56.100 -0.024 0.000 0.878 50 R CB 0.856 31.142 30.300 -0.024 0.000 1.067 50 R HN 0.759 nan 8.270 nan 0.000 0.457 51 D N 1.992 122.380 120.400 -0.018 0.000 2.390 51 D HA -0.071 4.570 4.640 0.000 0.000 0.236 51 D C 1.131 177.417 176.300 -0.023 0.000 1.189 51 D CA 0.090 54.080 54.000 -0.017 0.000 0.887 51 D CB 1.259 42.054 40.800 -0.008 0.000 1.198 51 D HN 0.109 nan 8.370 nan 0.000 0.444 52 V N 2.171 122.070 119.914 -0.024 0.000 2.261 52 V HA -0.256 3.864 4.120 0.000 0.000 0.246 52 V C 2.378 178.450 176.094 -0.037 0.000 1.047 52 V CA 2.239 64.516 62.300 -0.039 0.000 1.015 52 V CB -1.033 30.770 31.823 -0.034 0.000 0.642 52 V HN 0.730 nan 8.190 nan 0.000 0.446 53 S N -0.862 114.835 115.700 -0.006 0.000 2.626 53 S HA -0.206 4.264 4.470 0.000 0.000 0.245 53 S C 1.445 176.048 174.600 0.006 0.000 0.973 53 S CA 1.426 59.637 58.200 0.019 0.000 0.959 53 S CB -0.468 62.761 63.200 0.049 0.000 0.762 53 S HN 0.670 nan 8.310 nan 0.000 0.539 54 D N 0.567 120.959 120.400 -0.013 0.000 2.394 54 D HA 0.126 4.766 4.640 0.000 0.000 0.226 54 D C 1.629 177.919 176.300 -0.016 0.000 0.990 54 D CA 0.261 54.255 54.000 -0.009 0.000 0.902 54 D CB 0.043 40.837 40.800 -0.010 0.000 1.038 54 D HN 0.420 nan 8.370 nan 0.000 0.499 55 L N 0.722 121.922 121.223 -0.038 0.000 2.217 55 L HA -0.037 4.303 4.340 0.000 0.000 0.211 55 L C 2.229 179.059 176.870 -0.067 0.000 1.107 55 L CA 1.879 56.694 54.840 -0.042 0.000 0.783 55 L CB -0.484 41.533 42.059 -0.071 0.000 0.919 55 L HN 0.058 nan 8.230 nan 0.000 0.442 56 T N -5.450 109.012 114.554 -0.154 0.000 3.040 56 T HA 0.330 4.680 4.350 0.000 0.000 0.252 56 T C 1.658 176.319 174.700 -0.065 0.000 1.064 56 T CA 0.516 62.410 62.100 -0.344 0.000 1.110 56 T CB 0.203 68.632 68.868 -0.732 0.000 0.921 56 T HN 0.470 nan 8.240 nan 0.000 0.480 57 G N 1.079 109.882 108.800 0.005 0.000 2.347 57 G HA2 -0.270 3.690 3.960 0.000 0.000 0.247 57 G HA3 -0.270 3.690 3.960 0.000 0.000 0.247 57 G C -0.032 174.910 174.900 0.070 0.000 1.037 57 G CA 0.087 45.214 45.100 0.044 0.000 0.622 57 G HN 0.612 nan 8.290 nan 0.000 0.521 58 F N 5.260 125.217 119.950 0.011 0.000 2.578 58 F HA 0.420 4.947 4.527 0.000 0.000 0.376 58 F C -0.187 175.634 175.800 0.036 0.000 1.085 58 F CA -1.210 56.831 58.000 0.069 0.000 1.260 58 F CB 0.604 39.708 39.000 0.172 0.000 1.095 58 F HN 0.123 nan 8.300 nan 0.000 0.573 59 P HA -0.024 nan 4.420 nan 0.000 0.280 59 P C -1.003 176.451 177.300 0.256 0.000 1.278 59 P CA -0.194 62.976 63.100 0.118 0.000 0.787 59 P CB 0.518 32.213 31.700 -0.008 0.000 1.163 60 E N -0.628 119.661 120.200 0.148 0.000 2.249 60 E HA 0.401 4.751 4.350 0.000 0.000 0.280 60 E C -0.485 176.197 176.600 0.137 0.000 1.016 60 E CA -0.066 56.412 56.400 0.130 0.000 0.830 60 E CB 0.358 30.103 29.700 0.075 0.000 1.081 60 E HN 0.272 nan 8.360 nan 0.000 0.395 61 M N 4.200 123.877 119.600 0.128 0.000 2.327 61 M HA 0.334 4.814 4.480 0.000 0.000 0.298 61 M C -0.620 175.723 176.300 0.071 0.000 1.065 61 M CA -0.771 54.597 55.300 0.114 0.000 0.916 61 M CB 1.459 34.145 32.600 0.143 0.000 1.630 61 M HN 0.469 nan 8.290 nan 0.000 0.442 62 L N 2.515 123.774 121.223 0.061 0.000 3.762 62 L HA -0.324 4.016 4.340 0.000 0.000 0.460 62 L C 0.920 177.815 176.870 0.042 0.000 1.255 62 L CA 0.640 55.508 54.840 0.047 0.000 0.783 62 L CB -2.503 39.581 42.059 0.043 0.000 1.600 62 L HN 1.268 nan 8.230 nan 0.000 0.862 63 G N -1.397 107.428 108.800 0.042 0.000 2.458 63 G HA2 -0.100 3.860 3.960 0.000 0.000 0.237 63 G HA3 -0.100 3.860 3.960 0.000 0.000 0.237 63 G C 1.002 175.924 174.900 0.037 0.000 1.113 63 G CA 0.481 45.603 45.100 0.036 0.000 0.655 63 G HN 2.004 nan 8.290 nan 0.000 0.513 64 G N -1.160 107.664 108.800 0.040 0.000 2.215 64 G HA2 0.049 4.009 3.960 0.000 0.000 0.187 64 G HA3 0.049 4.009 3.960 0.000 0.000 0.187 64 G C 0.572 175.490 174.900 0.029 0.000 1.039 64 G CA 0.875 45.997 45.100 0.038 0.000 0.771 64 G HN 0.807 nan 8.290 nan 0.000 0.507 65 R N -0.033 120.485 120.500 0.029 0.000 2.237 65 R HA 0.126 4.466 4.340 0.000 0.000 0.219 65 R C 2.065 178.372 176.300 0.012 0.000 1.080 65 R CA 1.622 57.736 56.100 0.024 0.000 0.995 65 R CB 0.059 30.376 30.300 0.028 0.000 0.875 65 R HN 0.813 nan 8.270 nan 0.000 0.462 66 V N -3.168 116.746 119.914 0.001 0.000 3.176 66 V HA 0.225 4.345 4.120 0.000 0.000 0.332 66 V C 1.151 177.226 176.094 -0.032 0.000 1.414 66 V CA -0.369 61.913 62.300 -0.030 0.000 1.133 66 V CB 0.411 32.190 31.823 -0.074 0.000 1.088 66 V HN -0.006 nan 8.190 nan 0.000 0.473 67 K N 2.136 122.537 120.400 0.001 0.000 2.044 67 K HA -0.163 4.157 4.320 0.000 0.000 0.210 67 K C 2.140 178.744 176.600 0.006 0.000 1.049 67 K CA 2.381 58.675 56.287 0.011 0.000 0.927 67 K CB -0.406 32.103 32.500 0.016 0.000 0.713 67 K HN 0.774 nan 8.250 nan 0.000 0.443 68 T N -1.126 113.438 114.554 0.018 0.000 3.065 68 T HA 0.116 4.466 4.350 0.000 0.000 0.252 68 T C 1.019 175.798 174.700 0.131 0.000 1.099 68 T CA -0.013 62.104 62.100 0.030 0.000 1.063 68 T CB -0.060 68.815 68.868 0.011 0.000 0.948 68 T HN -0.007 nan 8.240 nan 0.000 0.506 69 L N 3.064 124.348 121.223 0.103 0.000 2.437 69 L HA 0.341 4.681 4.340 0.000 0.000 0.243 69 L C 0.237 177.143 176.870 0.060 0.000 1.346 69 L CA -0.240 54.649 54.840 0.081 0.000 1.233 69 L CB -0.689 41.352 42.059 -0.029 0.000 1.436 69 L HN 0.397 nan 8.230 nan 0.000 0.416 70 H N 0.698 119.789 119.070 0.035 0.000 2.996 70 H HA 0.270 4.826 4.556 0.000 0.000 0.368 70 H C -2.416 172.904 175.328 -0.012 0.000 1.185 70 H CA -1.790 54.236 56.048 -0.038 0.000 1.160 70 H CB 2.787 32.504 29.762 -0.075 0.000 1.820 70 H HN -0.115 nan 8.280 nan 0.000 0.547 71 P HA -0.197 nan 4.420 nan 0.000 0.216 71 P C 1.203 178.354 177.300 -0.250 0.000 1.157 71 P CA 2.802 65.908 63.100 0.010 0.000 0.880 71 P CB -0.019 31.711 31.700 0.050 0.000 0.791 72 A N -0.885 121.763 122.820 -0.286 0.000 1.892 72 A HA -0.226 4.094 4.320 0.000 0.000 0.218 72 A C 2.326 179.596 177.584 -0.523 0.000 1.188 72 A CA 2.331 53.762 52.037 -1.010 0.000 0.631 72 A CB -1.754 16.928 19.000 -0.529 0.000 0.822 72 A HN 0.051 nan 8.150 nan 0.000 0.447 73 V N -0.450 119.310 119.914 -0.257 0.000 2.221 73 V HA -0.244 3.876 4.120 0.000 0.000 0.242 73 V C 2.437 178.340 176.094 -0.319 0.000 1.041 73 V CA 2.072 64.212 62.300 -0.266 0.000 0.995 73 V CB -1.138 30.539 31.823 -0.244 0.000 0.635 73 V HN 0.675 nan 8.190 nan 0.000 0.448 74 H N -0.035 118.968 119.070 -0.112 0.000 2.423 74 H HA -0.024 4.532 4.556 0.000 0.000 0.297 74 H C 2.340 177.616 175.328 -0.086 0.000 1.075 74 H CA 1.565 57.564 56.048 -0.081 0.000 1.342 74 H CB -0.254 29.475 29.762 -0.055 0.000 1.395 74 H HN 0.468 nan 8.280 nan 0.000 0.530 75 A N 1.033 123.823 122.820 -0.050 0.000 1.877 75 A HA -0.107 4.213 4.320 0.000 0.000 0.216 75 A C 2.841 180.392 177.584 -0.055 0.000 1.186 75 A CA 1.591 53.605 52.037 -0.039 0.000 0.620 75 A CB -1.207 17.742 19.000 -0.085 0.000 0.822 75 A HN 0.451 nan 8.150 nan 0.000 0.443 76 G N 0.124 108.832 108.800 -0.153 0.000 2.491 76 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 76 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 76 G C 1.546 176.402 174.900 -0.073 0.000 1.180 76 G CA 1.273 46.310 45.100 -0.105 0.000 0.774 76 G HN 0.485 nan 8.290 nan 0.000 0.562 77 I N 0.342 120.851 120.570 -0.102 0.000 2.133 77 I HA -0.094 4.076 4.170 0.000 0.000 0.238 77 I C 2.506 178.608 176.117 -0.026 0.000 1.074 77 I CA 0.841 62.094 61.300 -0.078 0.000 1.342 77 I CB -0.276 37.651 38.000 -0.122 0.000 1.053 77 I HN 0.080 nan 8.210 nan 0.000 0.404 78 L N 0.933 122.157 121.223 0.003 0.000 2.622 78 L HA 0.061 4.401 4.340 0.000 0.000 0.233 78 L C 1.238 178.122 176.870 0.023 0.000 1.156 78 L CA -0.459 54.398 54.840 0.029 0.000 0.866 78 L CB -0.606 41.488 42.059 0.059 0.000 0.980 78 L HN 0.151 nan 8.230 nan 0.000 0.448 79 A N 0.977 123.807 122.820 0.017 0.000 2.488 79 A HA 0.323 4.643 4.320 0.000 0.000 0.249 79 A C 0.377 177.969 177.584 0.013 0.000 1.083 79 A CA -0.044 52.009 52.037 0.026 0.000 0.768 79 A CB 0.126 19.147 19.000 0.036 0.000 1.017 79 A HN 0.290 nan 8.150 nan 0.000 0.496 80 R N 1.274 121.782 120.500 0.014 0.000 2.607 80 R HA 0.240 4.580 4.340 0.000 0.000 0.261 80 R C -0.177 176.126 176.300 0.005 0.000 1.051 80 R CA -0.545 55.557 56.100 0.003 0.000 1.110 80 R CB 0.790 31.091 30.300 0.001 0.000 1.158 80 R HN 0.860 nan 8.270 nan 0.000 0.543 81 N N 1.683 120.382 118.700 -0.002 0.000 3.052 81 N HA 0.082 4.822 4.740 0.000 0.000 0.302 81 N C -0.546 174.966 175.510 0.002 0.000 1.332 81 N CA -0.070 52.980 53.050 0.001 0.000 1.129 81 N CB 0.161 38.645 38.487 -0.004 0.000 1.436 81 N HN 0.276 nan 8.380 nan 0.000 0.536 82 I N -2.611 117.963 120.570 0.006 0.000 2.608 82 I HA 0.494 4.664 4.170 0.000 0.000 0.295 82 I C -2.196 173.927 176.117 0.010 0.000 1.049 82 I CA -2.721 58.582 61.300 0.006 0.000 1.063 82 I CB 1.529 39.532 38.000 0.005 0.000 1.248 82 I HN -0.097 nan 8.210 nan 0.000 0.424 83 P HA -0.280 nan 4.420 nan 0.000 0.216 83 P C 1.041 178.348 177.300 0.012 0.000 1.167 83 P CA 2.235 65.341 63.100 0.009 0.000 0.933 83 P CB 0.194 31.898 31.700 0.007 0.000 0.793 84 E N -0.068 120.139 120.200 0.012 0.000 2.136 84 E HA -0.224 4.126 4.350 0.000 0.000 0.202 84 E C 1.837 178.450 176.600 0.021 0.000 1.019 84 E CA 2.038 58.447 56.400 0.014 0.000 0.819 84 E CB -1.113 28.596 29.700 0.013 0.000 0.739 84 E HN 0.390 nan 8.360 nan 0.000 0.458 85 D N -0.459 119.955 120.400 0.023 0.000 2.120 85 D HA -0.026 4.614 4.640 0.000 0.000 0.202 85 D C 1.463 177.786 176.300 0.037 0.000 0.972 85 D CA 1.008 55.028 54.000 0.034 0.000 0.837 85 D CB -0.349 40.470 40.800 0.031 0.000 0.989 85 D HN 0.236 nan 8.370 nan 0.000 0.469 86 N N 0.633 119.350 118.700 0.028 0.000 2.091 86 N HA -0.240 4.500 4.740 0.000 0.000 0.193 86 N C 1.775 177.299 175.510 0.024 0.000 1.021 86 N CA 1.077 54.143 53.050 0.027 0.000 0.862 86 N CB -0.093 38.405 38.487 0.017 0.000 1.018 86 N HN 0.097 nan 8.380 nan 0.000 0.429 87 A N 2.034 124.864 122.820 0.018 0.000 1.841 87 A HA -0.237 4.083 4.320 0.000 0.000 0.216 87 A C 1.771 179.361 177.584 0.010 0.000 1.199 87 A CA 1.992 54.035 52.037 0.010 0.000 0.621 87 A CB -0.693 18.312 19.000 0.008 0.000 0.835 87 A HN 0.146 nan 8.150 nan 0.000 0.445 88 D N -0.365 120.048 120.400 0.022 0.000 2.160 88 D HA -0.219 4.421 4.640 0.000 0.000 0.189 88 D C 2.022 178.340 176.300 0.030 0.000 1.003 88 D CA 1.747 55.764 54.000 0.029 0.000 0.846 88 D CB -0.427 40.408 40.800 0.058 0.000 0.949 88 D HN 0.287 nan 8.370 nan 0.000 0.446 89 M N 0.219 119.863 119.600 0.073 0.000 2.082 89 M HA -0.170 4.310 4.480 0.000 0.000 0.258 89 M C 2.061 178.375 176.300 0.023 0.000 1.071 89 M CA 1.323 56.691 55.300 0.113 0.000 1.103 89 M CB -1.436 31.243 32.600 0.132 0.000 1.307 89 M HN 0.037 nan 8.290 nan 0.000 0.409 90 N N 0.460 119.166 118.700 0.010 0.000 2.223 90 N HA -0.163 4.577 4.740 0.000 0.000 0.185 90 N C 1.583 177.058 175.510 -0.059 0.000 1.016 90 N CA 1.382 54.422 53.050 -0.016 0.000 0.863 90 N CB -0.078 38.406 38.487 -0.005 0.000 0.983 90 N HN 0.346 nan 8.380 nan 0.000 0.429 91 K N -0.081 120.283 120.400 -0.060 0.000 1.991 91 K HA -0.146 4.175 4.320 0.000 0.000 0.212 91 K C 1.392 177.898 176.600 -0.156 0.000 1.049 91 K CA 1.319 57.557 56.287 -0.081 0.000 0.932 91 K CB -0.056 32.410 32.500 -0.057 0.000 0.717 91 K HN 0.191 nan 8.250 nan 0.000 0.441 92 Q N 0.665 120.310 119.800 -0.258 0.000 2.482 92 Q HA -0.086 4.254 4.340 0.000 0.000 0.209 92 Q C -0.341 175.266 176.000 -0.655 0.000 0.961 92 Q CA 0.862 56.338 55.803 -0.545 0.000 0.945 92 Q CB -0.162 28.037 28.738 -0.899 0.000 1.012 92 Q HN 0.482 nan 8.270 nan 0.000 0.515 93 D N -0.750 119.458 120.400 -0.321 0.000 2.723 93 D HA -0.194 4.446 4.640 0.000 0.000 0.236 93 D C -1.381 174.888 176.300 -0.051 0.000 1.138 93 D CA 0.235 54.141 54.000 -0.157 0.000 0.676 93 D CB -1.021 39.708 40.800 -0.118 0.000 1.069 93 D HN 0.003 nan 8.370 nan 0.000 0.430 94 F N 0.543 120.505 119.950 0.021 0.000 2.404 94 F HA 0.485 5.012 4.527 0.000 0.000 0.339 94 F C 1.275 177.079 175.800 0.007 0.000 1.105 94 F CA -0.969 57.042 58.000 0.020 0.000 1.087 94 F CB 1.655 40.675 39.000 0.032 0.000 1.143 94 F HN -0.203 nan 8.300 nan 0.000 0.491 95 S N 3.074 118.901 115.700 0.210 0.000 2.584 95 S HA 0.519 4.989 4.470 0.000 0.000 0.273 95 S C -0.164 174.469 174.600 0.055 0.000 1.311 95 S CA -0.634 57.622 58.200 0.093 0.000 1.034 95 S CB 0.524 63.753 63.200 0.049 0.000 0.939 95 S HN 0.360 nan 8.310 nan 0.000 0.513 96 L N 3.020 124.261 121.223 0.031 0.000 2.305 96 L HA 0.402 4.742 4.340 0.000 0.000 0.281 96 L C -0.495 176.363 176.870 -0.019 0.000 1.085 96 L CA -0.737 54.107 54.840 0.007 0.000 0.813 96 L CB 0.976 43.041 42.059 0.011 0.000 1.157 96 L HN 0.302 nan 8.230 nan 0.000 0.436 97 V N 4.173 124.064 119.914 -0.039 0.000 2.465 97 V HA 0.242 4.362 4.120 0.000 0.000 0.279 97 V C 0.879 176.948 176.094 -0.042 0.000 1.045 97 V CA -0.320 61.948 62.300 -0.053 0.000 0.938 97 V CB 1.439 33.214 31.823 -0.079 0.000 0.986 97 V HN 0.819 nan 8.190 nan 0.000 0.467 98 R N 3.678 124.153 120.500 -0.041 0.000 2.142 98 R HA 0.266 4.606 4.340 0.000 0.000 0.204 98 R C -0.081 176.203 176.300 -0.027 0.000 1.059 98 R CA 0.429 56.510 56.100 -0.031 0.000 1.055 98 R CB 0.635 30.916 30.300 -0.031 0.000 0.976 98 R HN 0.541 nan 8.270 nan 0.000 0.483 99 V N 2.121 122.011 119.914 -0.040 0.000 2.459 99 V HA 0.396 4.516 4.120 0.000 0.000 0.295 99 V C -0.745 175.331 176.094 -0.030 0.000 1.029 99 V CA -0.775 61.509 62.300 -0.027 0.000 0.874 99 V CB 1.861 33.650 31.823 -0.056 0.000 0.985 99 V HN -0.082 nan 8.190 nan 0.000 0.438 100 V N 5.412 125.323 119.914 -0.006 0.000 2.349 100 V HA 0.385 4.505 4.120 0.000 0.000 0.284 100 V C -0.322 175.789 176.094 0.029 0.000 1.014 100 V CA -0.519 61.772 62.300 -0.015 0.000 0.826 100 V CB 1.811 33.611 31.823 -0.039 0.000 1.009 100 V HN 0.600 nan 8.190 nan 0.000 0.431 101 V N 4.588 124.527 119.914 0.043 0.000 2.294 101 V HA 0.457 4.577 4.120 0.000 0.000 0.272 101 V C -0.224 175.911 176.094 0.070 0.000 1.027 101 V CA -0.266 62.096 62.300 0.104 0.000 0.823 101 V CB 1.194 33.101 31.823 0.140 0.000 1.030 101 V HN 0.977 nan 8.190 nan 0.000 0.457 102 C N 6.387 125.720 119.300 0.054 0.000 2.642 102 C HA 0.779 5.239 4.460 0.000 0.000 0.344 102 C C -0.667 174.335 174.990 0.020 0.000 1.110 102 C CA -0.667 58.370 59.018 0.033 0.000 1.298 102 C CB 1.018 28.759 27.740 0.003 0.000 1.827 102 C HN 1.040 nan 8.230 nan 0.000 0.467 103 N N 4.920 123.644 118.700 0.038 0.000 2.265 103 N HA 0.796 5.536 4.740 0.000 0.000 0.300 103 N C -1.436 174.141 175.510 0.113 0.000 1.148 103 N CA -0.757 52.312 53.050 0.032 0.000 0.772 103 N CB 1.049 39.535 38.487 -0.002 0.000 1.434 103 N HN 0.651 nan 8.380 nan 0.000 0.481 104 L N 0.087 121.455 121.223 0.241 0.000 2.332 104 L HA 0.461 4.801 4.340 0.000 0.000 0.269 104 L C -0.736 176.285 176.870 0.251 0.000 1.016 104 L CA -1.296 53.625 54.840 0.134 0.000 0.809 104 L CB 0.887 42.835 42.059 -0.185 0.000 1.280 104 L HN 0.603 nan 8.230 nan 0.000 0.447 105 Y N 2.172 122.554 120.300 0.136 0.000 2.336 105 Y HA 0.306 4.856 4.550 0.000 0.000 0.335 105 Y C -2.092 173.962 175.900 0.257 0.000 1.046 105 Y CA -2.897 55.301 58.100 0.163 0.000 1.198 105 Y CB 0.802 39.342 38.460 0.133 0.000 1.182 105 Y HN 0.257 nan 8.280 nan 0.000 0.502 106 P HA -0.124 nan 4.420 nan 0.000 0.253 106 P C 0.326 177.476 177.300 -0.249 0.000 1.170 106 P CA 0.638 63.613 63.100 -0.208 0.000 0.806 106 P CB -0.273 31.246 31.700 -0.302 0.000 0.775 107 F N 4.977 124.823 119.950 -0.174 0.000 2.449 107 F HA -0.193 4.333 4.527 0.000 0.000 0.299 107 F C 1.529 177.154 175.800 -0.292 0.000 1.092 107 F CA 1.209 59.026 58.000 -0.305 0.000 1.446 107 F CB -0.195 38.386 39.000 -0.698 0.000 1.084 107 F HN 0.036 nan 8.300 nan 0.000 0.567 108 V N 0.417 120.145 119.914 -0.309 0.000 2.244 108 V HA -0.303 3.817 4.120 0.000 0.000 0.244 108 V C 2.403 178.285 176.094 -0.354 0.000 1.042 108 V CA 2.211 64.328 62.300 -0.305 0.000 1.006 108 V CB -0.706 31.014 31.823 -0.172 0.000 0.641 108 V HN 0.208 nan 8.190 nan 0.000 0.446 109 K N 0.040 120.225 120.400 -0.358 0.000 2.057 109 K HA -0.162 4.158 4.320 0.000 0.000 0.207 109 K C 2.231 178.693 176.600 -0.231 0.000 1.049 109 K CA 1.915 58.028 56.287 -0.290 0.000 0.931 109 K CB -0.634 31.643 32.500 -0.371 0.000 0.714 109 K HN 0.495 nan 8.250 nan 0.000 0.440 110 T N 1.541 115.925 114.554 -0.284 0.000 2.597 110 T HA -0.170 4.181 4.350 0.000 0.000 0.267 110 T C 2.079 176.577 174.700 -0.336 0.000 1.053 110 T CA 2.190 64.178 62.100 -0.187 0.000 1.165 110 T CB -0.498 68.224 68.868 -0.244 0.000 0.863 110 T HN 0.259 nan 8.240 nan 0.000 0.427 111 V N 1.065 120.596 119.914 -0.638 0.000 2.809 111 V HA -0.008 4.112 4.120 0.000 0.000 0.256 111 V C 2.354 178.272 176.094 -0.293 0.000 1.080 111 V CA 1.681 63.610 62.300 -0.619 0.000 1.102 111 V CB -0.980 30.198 31.823 -1.074 0.000 0.705 111 V HN 0.590 nan 8.190 nan 0.000 0.475 112 S N -0.658 114.896 115.700 -0.242 0.000 2.501 112 S HA 0.128 4.598 4.470 0.000 0.000 0.220 112 S C 1.235 175.786 174.600 -0.081 0.000 0.997 112 S CA 0.507 58.630 58.200 -0.129 0.000 0.919 112 S CB -0.403 62.724 63.200 -0.121 0.000 0.778 112 S HN 0.504 nan 8.310 nan 0.000 0.523 113 S N 3.505 119.158 115.700 -0.079 0.000 2.579 113 S HA 0.356 4.826 4.470 0.000 0.000 0.275 113 S C -2.465 172.121 174.600 -0.023 0.000 1.345 113 S CA -0.998 57.182 58.200 -0.032 0.000 1.031 113 S CB 0.191 63.390 63.200 -0.002 0.000 0.892 113 S HN 0.253 nan 8.310 nan 0.000 0.529 114 P HA 0.085 nan 4.420 nan 0.000 0.263 114 P C 0.743 178.042 177.300 -0.002 0.000 1.175 114 P CA 1.070 64.167 63.100 -0.005 0.000 0.761 114 P CB 0.084 31.784 31.700 -0.000 0.000 0.794 115 G N 1.736 110.536 108.800 0.000 0.000 2.180 115 G HA2 -0.272 3.688 3.960 0.000 0.000 0.263 115 G HA3 -0.272 3.688 3.960 0.000 0.000 0.263 115 G C 0.323 175.226 174.900 0.006 0.000 0.989 115 G CA 0.138 45.240 45.100 0.004 0.000 0.692 115 G HN 0.682 nan 8.290 nan 0.000 0.526 116 V N 1.835 121.749 119.914 -0.000 0.000 2.655 116 V HA 0.602 4.722 4.120 0.000 0.000 0.300 116 V C 0.992 177.099 176.094 0.021 0.000 1.044 116 V CA 0.972 63.272 62.300 -0.000 0.000 1.095 116 V CB 1.104 32.907 31.823 -0.033 0.000 0.952 116 V HN 1.055 nan 8.190 nan 0.000 0.485 117 T N 3.362 117.936 114.554 0.033 0.000 2.895 117 T HA 0.450 4.800 4.350 0.000 0.000 0.283 117 T C 0.997 175.747 174.700 0.083 0.000 1.014 117 T CA -0.147 61.983 62.100 0.050 0.000 1.037 117 T CB 1.615 70.506 68.868 0.039 0.000 1.006 117 T HN 0.458 nan 8.240 nan 0.000 0.468 118 V N 2.794 122.773 119.914 0.108 0.000 2.231 118 V HA -0.119 4.001 4.120 0.000 0.000 0.250 118 V C -0.474 175.705 176.094 0.142 0.000 1.058 118 V CA 1.965 64.363 62.300 0.163 0.000 1.022 118 V CB -1.774 30.072 31.823 0.039 0.000 0.640 118 V HN 0.769 nan 8.190 nan 0.000 0.445 119 P HA -0.176 nan 4.420 nan 0.000 0.218 119 P C 1.560 178.919 177.300 0.099 0.000 1.146 119 P CA 1.478 64.635 63.100 0.095 0.000 0.820 119 P CB -0.020 31.721 31.700 0.068 0.000 0.778 120 E N -0.911 119.340 120.200 0.085 0.000 2.107 120 E HA -0.087 4.263 4.350 0.000 0.000 0.191 120 E C 2.097 178.750 176.600 0.089 0.000 0.982 120 E CA 0.958 57.401 56.400 0.071 0.000 0.809 120 E CB -0.426 29.301 29.700 0.045 0.000 0.756 120 E HN 0.154 nan 8.360 nan 0.000 0.459 121 A N 0.862 123.738 122.820 0.094 0.000 1.873 121 A HA -0.142 4.178 4.320 0.000 0.000 0.215 121 A C 2.474 180.217 177.584 0.265 0.000 1.186 121 A CA 1.106 53.202 52.037 0.098 0.000 0.616 121 A CB -0.728 18.226 19.000 -0.077 0.000 0.823 121 A HN 0.109 nan 8.150 nan 0.000 0.442 122 V N 0.557 120.637 119.914 0.276 0.000 2.250 122 V HA -0.293 3.827 4.120 0.000 0.000 0.250 122 V C 2.481 178.708 176.094 0.222 0.000 1.060 122 V CA 2.315 64.794 62.300 0.299 0.000 1.030 122 V CB -0.842 31.125 31.823 0.239 0.000 0.643 122 V HN 0.524 nan 8.190 nan 0.000 0.445 123 E N -0.222 120.078 120.200 0.167 0.000 2.268 123 E HA -0.180 4.170 4.350 0.000 0.000 0.195 123 E C 2.024 178.707 176.600 0.138 0.000 0.995 123 E CA 0.800 57.278 56.400 0.131 0.000 0.836 123 E CB -0.193 29.566 29.700 0.098 0.000 0.763 123 E HN 0.449 nan 8.360 nan 0.000 0.491 124 K N 0.416 120.921 120.400 0.175 0.000 2.444 124 K HA 0.147 4.468 4.320 0.000 0.000 0.193 124 K C 0.362 177.121 176.600 0.264 0.000 1.024 124 K CA -0.054 56.352 56.287 0.199 0.000 1.077 124 K CB 0.060 32.682 32.500 0.204 0.000 0.833 124 K HN 0.010 nan 8.250 nan 0.000 0.517 125 I N 2.160 122.863 120.570 0.222 0.000 2.494 125 I HA -0.057 4.113 4.170 0.000 0.000 0.289 125 I C 0.338 176.557 176.117 0.171 0.000 1.106 125 I CA -0.229 61.170 61.300 0.166 0.000 1.369 125 I CB 0.268 38.289 38.000 0.035 0.000 1.410 125 I HN 0.183 nan 8.210 nan 0.000 0.523 126 D N 7.200 127.745 120.400 0.243 0.000 2.458 126 D HA -0.014 4.626 4.640 0.000 0.000 0.243 126 D C 0.534 176.867 176.300 0.055 0.000 1.146 126 D CA 0.226 54.290 54.000 0.107 0.000 0.877 126 D CB 1.271 42.061 40.800 -0.016 0.000 1.176 126 D HN 0.355 nan 8.370 nan 0.000 0.461 127 I N 3.007 123.596 120.570 0.031 0.000 4.124 127 I HA 0.067 4.237 4.170 0.000 0.000 0.311 127 I C 2.108 178.229 176.117 0.007 0.000 1.259 127 I CA 0.320 61.630 61.300 0.017 0.000 1.315 127 I CB -0.458 37.556 38.000 0.023 0.000 1.223 127 I HN 0.552 nan 8.210 nan 0.000 0.441 128 G N 0.584 109.391 108.800 0.012 0.000 2.510 128 G HA2 0.018 3.978 3.960 0.000 0.000 0.212 128 G HA3 0.018 3.978 3.960 0.000 0.000 0.212 128 G C 1.586 176.493 174.900 0.012 0.000 1.151 128 G CA 0.718 45.835 45.100 0.028 0.000 0.817 128 G HN 0.389 nan 8.290 nan 0.000 0.534 129 G N 1.256 110.042 108.800 -0.023 0.000 2.480 129 G HA2 -0.224 3.736 3.960 0.000 0.000 0.216 129 G HA3 -0.224 3.736 3.960 0.000 0.000 0.216 129 G C 1.823 176.685 174.900 -0.064 0.000 1.200 129 G CA 1.726 46.797 45.100 -0.048 0.000 0.782 129 G HN 0.275 nan 8.290 nan 0.000 0.554 130 V N 1.960 121.805 119.914 -0.114 0.000 2.250 130 V HA -0.276 3.844 4.120 0.000 0.000 0.253 130 V C 3.359 179.441 176.094 -0.021 0.000 1.065 130 V CA 2.508 64.747 62.300 -0.100 0.000 1.039 130 V CB -1.349 30.420 31.823 -0.091 0.000 0.647 130 V HN 0.532 nan 8.190 nan 0.000 0.446 131 A N -0.130 122.700 122.820 0.016 0.000 1.865 131 A HA -0.185 4.135 4.320 0.000 0.000 0.217 131 A C 2.243 179.913 177.584 0.143 0.000 1.191 131 A CA 2.230 54.315 52.037 0.081 0.000 0.623 131 A CB -0.649 18.405 19.000 0.091 0.000 0.826 131 A HN 0.511 nan 8.150 nan 0.000 0.444 132 L N -0.906 120.375 121.223 0.096 0.000 1.971 132 L HA -0.250 4.090 4.340 0.000 0.000 0.215 132 L C 2.676 179.529 176.870 -0.030 0.000 1.072 132 L CA 1.581 56.422 54.840 0.002 0.000 0.758 132 L CB -0.764 41.266 42.059 -0.049 0.000 0.889 132 L HN 0.373 nan 8.230 nan 0.000 0.433 133 L N -0.660 120.535 121.223 -0.046 0.000 1.990 133 L HA -0.256 4.084 4.340 0.000 0.000 0.213 133 L C 2.912 179.673 176.870 -0.183 0.000 1.072 133 L CA 1.571 56.352 54.840 -0.100 0.000 0.755 133 L CB -0.509 41.504 42.059 -0.078 0.000 0.889 133 L HN 0.179 nan 8.230 nan 0.000 0.432 134 R N -0.512 119.917 120.500 -0.118 0.000 2.081 134 R HA -0.155 4.185 4.340 0.000 0.000 0.235 134 R C 2.388 178.660 176.300 -0.048 0.000 1.131 134 R CA 1.300 57.329 56.100 -0.118 0.000 0.960 134 R CB -0.621 29.753 30.300 0.124 0.000 0.856 134 R HN 0.407 nan 8.270 nan 0.000 0.436 135 A N 1.528 124.368 122.820 0.033 0.000 1.865 135 A HA -0.154 4.166 4.320 0.000 0.000 0.217 135 A C 2.431 180.021 177.584 0.010 0.000 1.191 135 A CA 1.857 53.940 52.037 0.077 0.000 0.623 135 A CB -0.769 18.328 19.000 0.162 0.000 0.826 135 A HN 0.403 nan 8.150 nan 0.000 0.444 136 A N -0.266 122.525 122.820 -0.048 0.000 1.902 136 A HA 0.150 4.470 4.320 0.000 0.000 0.217 136 A C 2.531 180.076 177.584 -0.066 0.000 1.181 136 A CA 2.239 54.242 52.037 -0.056 0.000 0.623 136 A CB -1.112 17.847 19.000 -0.069 0.000 0.818 136 A HN 1.131 nan 8.150 nan 0.000 0.443 137 A N 0.012 122.703 122.820 -0.216 0.000 1.883 137 A HA -0.236 4.084 4.320 0.000 0.000 0.217 137 A C 2.153 179.752 177.584 0.024 0.000 1.186 137 A CA 2.238 54.050 52.037 -0.375 0.000 0.624 137 A CB -0.559 17.622 19.000 -1.365 0.000 0.822 137 A HN 0.593 nan 8.150 nan 0.000 0.444 138 K N -0.554 119.931 120.400 0.142 0.000 2.032 138 K HA -0.196 4.124 4.320 0.000 0.000 0.209 138 K C 0.969 177.704 176.600 0.225 0.000 1.048 138 K CA 1.816 58.309 56.287 0.344 0.000 0.927 138 K CB -0.246 32.415 32.500 0.268 0.000 0.712 138 K HN 0.401 nan 8.250 nan 0.000 0.441 139 N N 0.931 119.690 118.700 0.099 0.000 2.484 139 N HA -0.034 4.706 4.740 0.000 0.000 0.245 139 N C 0.854 176.337 175.510 -0.045 0.000 1.184 139 N CA -0.106 52.942 53.050 -0.003 0.000 0.884 139 N CB 0.043 38.531 38.487 0.001 0.000 1.182 139 N HN 0.361 nan 8.380 nan 0.000 0.493 140 H N -1.656 117.425 119.070 0.017 0.000 2.489 140 H HA -0.013 4.543 4.556 0.000 0.000 0.293 140 H C 1.499 176.829 175.328 0.004 0.000 1.066 140 H CA 1.129 57.177 56.048 0.001 0.000 1.305 140 H CB -0.296 29.468 29.762 0.003 0.000 1.386 140 H HN 0.235 nan 8.280 nan 0.000 0.551 141 A N 1.127 123.578 122.820 -0.616 0.000 2.194 141 A HA -0.160 4.160 4.320 0.000 0.000 0.220 141 A C 2.473 179.974 177.584 -0.137 0.000 1.162 141 A CA 1.806 53.628 52.037 -0.358 0.000 0.674 141 A CB -0.563 18.246 19.000 -0.318 0.000 0.789 141 A HN 0.555 nan 8.150 nan 0.000 0.470 142 R N -2.451 117.992 120.500 -0.095 0.000 3.062 142 R HA 0.188 4.528 4.340 0.000 0.000 0.161 142 R C -0.506 175.785 176.300 -0.015 0.000 0.778 142 R CA 0.376 56.451 56.100 -0.041 0.000 1.168 142 R CB 0.411 30.689 30.300 -0.037 0.000 1.618 142 R HN 0.160 nan 8.270 nan 0.000 0.566 143 V N 2.375 122.282 119.914 -0.011 0.000 2.686 143 V HA 0.215 4.335 4.120 0.000 0.000 0.295 143 V C -0.067 176.043 176.094 0.027 0.000 1.055 143 V CA 0.187 62.488 62.300 0.002 0.000 1.050 143 V CB 1.475 33.294 31.823 -0.007 0.000 0.984 143 V HN 0.214 nan 8.190 nan 0.000 0.482 144 T N 4.575 119.146 114.554 0.027 0.000 2.753 144 T HA 0.396 4.746 4.350 0.000 0.000 0.297 144 T C -0.418 174.310 174.700 0.047 0.000 0.981 144 T CA -0.060 62.070 62.100 0.050 0.000 0.956 144 T CB 1.152 70.058 68.868 0.064 0.000 0.936 144 T HN 0.511 nan 8.240 nan 0.000 0.463 145 V N 5.495 125.430 119.914 0.036 0.000 2.459 145 V HA 0.820 4.940 4.120 0.000 0.000 0.295 145 V C -0.692 175.420 176.094 0.029 0.000 1.029 145 V CA -0.586 61.723 62.300 0.015 0.000 0.874 145 V CB 1.641 33.439 31.823 -0.041 0.000 0.985 145 V HN 0.637 nan 8.190 nan 0.000 0.438 146 V N 7.452 127.399 119.914 0.054 0.000 2.488 146 V HA 0.373 4.493 4.120 0.000 0.000 0.293 146 V C 0.412 176.517 176.094 0.019 0.000 1.027 146 V CA 0.118 62.449 62.300 0.052 0.000 0.862 146 V CB 1.318 33.233 31.823 0.153 0.000 1.008 146 V HN 1.209 nan 8.190 nan 0.000 0.428 147 C N 2.053 121.298 119.300 -0.093 0.000 2.912 147 C HA 0.454 4.914 4.460 0.000 0.000 0.274 147 C C 0.648 175.477 174.990 -0.268 0.000 1.248 147 C CA 0.591 59.497 59.018 -0.187 0.000 1.694 147 C CB -1.107 26.438 27.740 -0.326 0.000 2.024 147 C HN 0.888 nan 8.230 nan 0.000 0.605 148 D N 1.467 121.708 120.400 -0.264 0.000 2.441 148 D HA 0.408 5.048 4.640 0.000 0.000 0.231 148 D C -1.790 174.175 176.300 -0.558 0.000 1.073 148 D CA -1.836 51.965 54.000 -0.332 0.000 0.850 148 D CB 1.449 42.094 40.800 -0.257 0.000 1.062 148 D HN -0.074 nan 8.370 nan 0.000 0.524 149 P HA -0.142 nan 4.420 nan 0.000 0.219 149 P C 0.753 177.467 177.300 -0.977 0.000 1.144 149 P CA 0.977 63.252 63.100 -1.375 0.000 0.806 149 P CB 0.191 31.508 31.700 -0.638 0.000 0.771 150 A N -1.045 121.459 122.820 -0.527 0.000 2.239 150 A HA -0.090 4.230 4.320 0.000 0.000 0.209 150 A C 1.498 178.914 177.584 -0.280 0.000 1.171 150 A CA 1.155 52.999 52.037 -0.321 0.000 0.768 150 A CB -0.627 18.248 19.000 -0.209 0.000 0.790 150 A HN 0.091 nan 8.150 nan 0.000 0.478 151 D N -2.037 118.141 120.400 -0.369 0.000 2.449 151 D HA 0.050 4.690 4.640 0.000 0.000 0.210 151 D C 0.880 177.055 176.300 -0.208 0.000 1.094 151 D CA 0.075 53.941 54.000 -0.224 0.000 0.846 151 D CB -0.059 40.642 40.800 -0.165 0.000 1.003 151 D HN 0.368 nan 8.370 nan 0.000 0.504 152 Y N 1.955 121.965 120.300 -0.483 0.000 2.014 152 Y HA -0.240 4.310 4.550 0.000 0.000 0.272 152 Y C 2.797 178.463 175.900 -0.390 0.000 1.164 152 Y CA 0.526 58.081 58.100 -0.908 0.000 1.114 152 Y CB -1.325 36.600 38.460 -0.891 0.000 0.961 152 Y HN -0.078 nan 8.280 nan 0.000 0.489 153 S N -0.630 115.069 115.700 -0.002 0.000 2.365 153 S HA -0.283 4.187 4.470 0.000 0.000 0.221 153 S C 2.490 177.124 174.600 0.057 0.000 1.037 153 S CA 1.851 60.084 58.200 0.055 0.000 1.060 153 S CB -0.836 62.380 63.200 0.028 0.000 0.974 153 S HN 0.580 nan 8.310 nan 0.000 0.427 154 S N 0.284 115.994 115.700 0.017 0.000 2.377 154 S HA -0.155 4.315 4.470 0.000 0.000 0.224 154 S C 1.873 176.511 174.600 0.064 0.000 1.042 154 S CA 2.078 60.293 58.200 0.026 0.000 1.086 154 S CB -0.888 62.312 63.200 -0.002 0.000 0.995 154 S HN 0.331 nan 8.310 nan 0.000 0.428 155 V N 2.660 122.621 119.914 0.078 0.000 2.219 155 V HA -0.225 3.895 4.120 0.000 0.000 0.248 155 V C 2.986 179.210 176.094 0.217 0.000 1.053 155 V CA 2.203 64.593 62.300 0.149 0.000 1.009 155 V CB -1.666 30.273 31.823 0.194 0.000 0.636 155 V HN 0.712 nan 8.190 nan 0.000 0.445 156 A N -0.290 122.753 122.820 0.373 0.000 1.940 156 A HA -0.331 3.989 4.320 0.000 0.000 0.221 156 A C 2.220 179.895 177.584 0.152 0.000 1.190 156 A CA 2.527 54.764 52.037 0.333 0.000 0.647 156 A CB -0.567 18.701 19.000 0.446 0.000 0.821 156 A HN 0.638 nan 8.150 nan 0.000 0.457 157 K N -0.858 119.616 120.400 0.124 0.000 2.217 157 K HA -0.097 4.223 4.320 0.000 0.000 0.202 157 K C 2.035 178.672 176.600 0.062 0.000 1.051 157 K CA 1.102 57.434 56.287 0.075 0.000 0.952 157 K CB -0.059 32.477 32.500 0.060 0.000 0.736 157 K HN 0.785 nan 8.250 nan 0.000 0.453 158 E N 1.332 121.576 120.200 0.073 0.000 2.072 158 E HA -0.133 4.217 4.350 0.000 0.000 0.190 158 E C 1.970 178.601 176.600 0.052 0.000 0.982 158 E CA 0.834 57.269 56.400 0.059 0.000 0.803 158 E CB 0.089 29.830 29.700 0.067 0.000 0.755 158 E HN 0.219 nan 8.360 nan 0.000 0.453 159 M N 0.359 119.995 119.600 0.060 0.000 2.200 159 M HA -0.034 4.446 4.480 0.000 0.000 0.265 159 M C 2.461 178.774 176.300 0.022 0.000 1.066 159 M CA 1.154 56.476 55.300 0.038 0.000 1.127 159 M CB -0.115 32.503 32.600 0.031 0.000 1.379 159 M HN 0.211 nan 8.290 nan 0.000 0.420 160 A N 0.841 123.678 122.820 0.028 0.000 1.841 160 A HA -0.094 4.226 4.320 0.000 0.000 0.216 160 A C 2.194 179.787 177.584 0.016 0.000 1.199 160 A CA 2.073 54.120 52.037 0.017 0.000 0.621 160 A CB -1.097 17.918 19.000 0.025 0.000 0.835 160 A HN 0.496 nan 8.150 nan 0.000 0.445 161 A N -0.517 122.316 122.820 0.022 0.000 2.255 161 A HA 0.325 4.645 4.320 0.000 0.000 0.206 161 A C 1.291 178.886 177.584 0.018 0.000 1.193 161 A CA 0.798 52.847 52.037 0.019 0.000 0.794 161 A CB -0.765 18.247 19.000 0.021 0.000 0.794 161 A HN 0.500 nan 8.150 nan 0.000 0.481 162 S N -0.033 115.679 115.700 0.019 0.000 2.531 162 S HA 0.172 4.642 4.470 0.000 0.000 0.279 162 S C 0.835 175.442 174.600 0.011 0.000 1.305 162 S CA -0.409 57.802 58.200 0.017 0.000 1.058 162 S CB 0.379 63.591 63.200 0.019 0.000 0.899 162 S HN 0.473 nan 8.310 nan 0.000 0.493 163 K N 2.846 123.253 120.400 0.011 0.000 2.611 163 K HA 0.011 4.331 4.320 0.000 0.000 0.193 163 K C -0.442 176.161 176.600 0.006 0.000 1.026 163 K CA 0.678 56.970 56.287 0.008 0.000 1.063 163 K CB -0.104 32.401 32.500 0.009 0.000 0.839 163 K HN 0.621 nan 8.250 nan 0.000 0.505 164 D N -0.544 119.860 120.400 0.005 0.000 2.640 164 D HA 0.042 4.682 4.640 0.000 0.000 0.282 164 D C -1.053 175.247 176.300 -0.001 0.000 1.558 164 D CA -0.368 53.633 54.000 0.002 0.000 0.820 164 D CB 0.507 41.309 40.800 0.004 0.000 1.243 164 D HN -0.105 nan 8.370 nan 0.000 0.456 165 K N 0.865 121.265 120.400 -0.000 0.000 3.311 165 K HA -0.228 4.092 4.320 0.000 0.000 0.270 165 K C -0.610 175.987 176.600 -0.006 0.000 0.927 165 K CA 0.881 57.165 56.287 -0.005 0.000 0.706 165 K CB -1.001 31.490 32.500 -0.014 0.000 1.418 165 K HN 0.399 nan 8.250 nan 0.000 0.459 166 D N -1.226 119.177 120.400 0.006 0.000 2.626 166 D HA 0.300 4.940 4.640 0.000 0.000 0.278 166 D C -0.497 175.819 176.300 0.027 0.000 1.211 166 D CA -0.084 53.923 54.000 0.010 0.000 0.903 166 D CB 1.345 42.149 40.800 0.006 0.000 1.408 166 D HN 0.076 nan 8.370 nan 0.000 0.454 167 T N -1.360 113.216 114.554 0.037 0.000 2.874 167 T HA 0.593 4.943 4.350 0.000 0.000 0.281 167 T C 0.465 175.193 174.700 0.046 0.000 0.994 167 T CA -0.484 61.647 62.100 0.053 0.000 1.015 167 T CB 0.840 69.749 68.868 0.068 0.000 1.028 167 T HN 0.431 nan 8.240 nan 0.000 0.523 168 S N 0.748 116.481 115.700 0.055 0.000 2.632 168 S HA 0.286 4.756 4.470 0.000 0.000 0.267 168 S C 1.833 176.465 174.600 0.053 0.000 1.276 168 S CA -0.376 57.854 58.200 0.051 0.000 0.998 168 S CB 0.759 63.994 63.200 0.059 0.000 0.953 168 S HN 1.188 nan 8.310 nan 0.000 0.547 169 V N -0.014 119.926 119.914 0.044 0.000 2.255 169 V HA -0.241 3.879 4.120 0.000 0.000 0.247 169 V C 2.363 178.482 176.094 0.042 0.000 1.051 169 V CA 2.012 64.336 62.300 0.040 0.000 1.018 169 V CB -1.851 29.991 31.823 0.031 0.000 0.641 169 V HN 0.999 nan 8.190 nan 0.000 0.445 170 E N 0.856 121.085 120.200 0.048 0.000 2.017 170 E HA -0.204 4.146 4.350 0.000 0.000 0.193 170 E C 2.222 178.833 176.600 0.018 0.000 0.997 170 E CA 1.811 58.226 56.400 0.025 0.000 0.804 170 E CB -1.234 28.562 29.700 0.159 0.000 0.757 170 E HN 0.522 nan 8.360 nan 0.000 0.448 171 T N 1.034 115.686 114.554 0.162 0.000 2.680 171 T HA -0.207 4.143 4.350 0.000 0.000 0.268 171 T C 1.824 176.582 174.700 0.096 0.000 1.033 171 T CA 1.847 64.064 62.100 0.196 0.000 1.152 171 T CB -0.277 68.669 68.868 0.129 0.000 0.859 171 T HN 0.202 nan 8.240 nan 0.000 0.452 172 R N 0.462 120.998 120.500 0.061 0.000 2.120 172 R HA -0.013 4.327 4.340 0.000 0.000 0.234 172 R C 2.701 179.014 176.300 0.022 0.000 1.123 172 R CA 1.074 57.215 56.100 0.069 0.000 0.975 172 R CB -0.199 30.162 30.300 0.103 0.000 0.866 172 R HN 0.440 nan 8.270 nan 0.000 0.446 173 R N -0.458 119.984 120.500 -0.096 0.000 2.062 173 R HA -0.062 4.278 4.340 0.000 0.000 0.229 173 R C 2.169 178.278 176.300 -0.317 0.000 1.128 173 R CA 1.119 57.047 56.100 -0.287 0.000 0.960 173 R CB -0.362 29.708 30.300 -0.384 0.000 0.855 173 R HN 0.385 nan 8.270 nan 0.000 0.432 174 H N 0.771 119.835 119.070 -0.010 0.000 2.387 174 H HA -0.095 4.461 4.556 0.000 0.000 0.299 174 H C 2.236 177.552 175.328 -0.021 0.000 1.090 174 H CA 1.170 57.210 56.048 -0.013 0.000 1.332 174 H CB -0.196 29.565 29.762 -0.002 0.000 1.386 174 H HN 0.178 nan 8.280 nan 0.000 0.516 175 L N 0.153 121.412 121.223 0.060 0.000 2.072 175 L HA -0.073 4.267 4.340 0.000 0.000 0.205 175 L C 2.898 179.750 176.870 -0.030 0.000 1.079 175 L CA 0.777 55.628 54.840 0.018 0.000 0.752 175 L CB -0.443 41.632 42.059 0.027 0.000 0.906 175 L HN 0.202 nan 8.230 nan 0.000 0.436 176 A N 0.073 122.851 122.820 -0.069 0.000 1.908 176 A HA -0.263 4.057 4.320 0.000 0.000 0.218 176 A C 2.187 179.739 177.584 -0.053 0.000 1.181 176 A CA 1.882 53.843 52.037 -0.128 0.000 0.627 176 A CB -0.783 18.030 19.000 -0.311 0.000 0.818 176 A HN 0.327 nan 8.150 nan 0.000 0.445 177 L N -0.090 121.120 121.223 -0.021 0.000 2.012 177 L HA -0.167 4.173 4.340 0.000 0.000 0.210 177 L C 2.193 179.109 176.870 0.077 0.000 1.073 177 L CA 2.268 57.144 54.840 0.059 0.000 0.748 177 L CB -0.791 41.296 42.059 0.048 0.000 0.891 177 L HN 0.353 nan 8.230 nan 0.000 0.431 178 K N -0.620 119.802 120.400 0.037 0.000 2.020 178 K HA -0.211 4.109 4.320 0.000 0.000 0.212 178 K C 2.026 178.649 176.600 0.038 0.000 1.050 178 K CA 1.687 57.990 56.287 0.025 0.000 0.929 178 K CB -0.463 32.025 32.500 -0.020 0.000 0.714 178 K HN 0.513 nan 8.250 nan 0.000 0.443 179 A N 1.033 123.840 122.820 -0.021 0.000 1.865 179 A HA -0.182 4.138 4.320 0.000 0.000 0.217 179 A C 1.998 179.587 177.584 0.009 0.000 1.191 179 A CA 1.551 53.556 52.037 -0.054 0.000 0.623 179 A CB -0.831 18.046 19.000 -0.205 0.000 0.826 179 A HN 0.218 nan 8.150 nan 0.000 0.444 180 F N 0.824 120.797 119.950 0.039 0.000 2.216 180 F HA -0.107 4.420 4.527 0.000 0.000 0.300 180 F C 2.729 178.556 175.800 0.046 0.000 1.085 180 F CA 1.637 59.657 58.000 0.033 0.000 1.326 180 F CB -1.004 38.001 39.000 0.008 0.000 1.027 180 F HN 0.168 nan 8.300 nan 0.000 0.497 181 T N -2.206 112.489 114.554 0.234 0.000 2.777 181 T HA -0.230 4.120 4.350 0.000 0.000 0.266 181 T C 1.764 176.567 174.700 0.171 0.000 1.040 181 T CA 1.694 63.893 62.100 0.165 0.000 1.141 181 T CB -0.480 68.463 68.868 0.124 0.000 0.868 181 T HN 0.286 nan 8.240 nan 0.000 0.444 182 H N 1.302 120.409 119.070 0.063 0.000 2.421 182 H HA -0.076 4.480 4.556 0.000 0.000 0.298 182 H C 2.333 177.708 175.328 0.078 0.000 1.087 182 H CA 2.020 58.097 56.048 0.048 0.000 1.330 182 H CB -0.268 29.495 29.762 0.001 0.000 1.388 182 H HN 0.455 nan 8.280 nan 0.000 0.526 183 T N -3.000 111.599 114.554 0.075 0.000 2.937 183 T HA 0.122 4.472 4.350 0.000 0.000 0.260 183 T C 2.295 177.048 174.700 0.088 0.000 1.051 183 T CA 0.662 62.786 62.100 0.040 0.000 1.141 183 T CB -0.655 68.271 68.868 0.095 0.000 0.879 183 T HN 0.340 nan 8.240 nan 0.000 0.459 184 A N 1.965 124.849 122.820 0.107 0.000 1.933 184 A HA -0.124 4.196 4.320 0.000 0.000 0.218 184 A C 2.474 180.087 177.584 0.049 0.000 1.175 184 A CA 1.498 53.580 52.037 0.075 0.000 0.628 184 A CB -0.751 18.294 19.000 0.076 0.000 0.814 184 A HN 0.646 nan 8.150 nan 0.000 0.444 185 Q N -2.167 117.665 119.800 0.052 0.000 2.123 185 Q HA -0.166 4.174 4.340 0.000 0.000 0.199 185 Q C 2.001 178.013 176.000 0.019 0.000 0.966 185 Q CA 1.503 57.327 55.803 0.034 0.000 0.845 185 Q CB -0.337 28.427 28.738 0.043 0.000 0.907 185 Q HN 0.795 nan 8.270 nan 0.000 0.439 186 Y N 2.319 122.541 120.300 -0.130 0.000 2.070 186 Y HA -0.261 4.289 4.550 0.000 0.000 0.280 186 Y C 1.732 177.537 175.900 -0.158 0.000 1.148 186 Y CA 1.968 59.977 58.100 -0.152 0.000 1.125 186 Y CB -0.078 38.253 38.460 -0.216 0.000 0.975 186 Y HN 0.090 nan 8.280 nan 0.000 0.492 187 D N -0.499 119.870 120.400 -0.052 0.000 2.224 187 D HA -0.086 4.554 4.640 0.000 0.000 0.205 187 D C 2.197 178.394 176.300 -0.172 0.000 0.965 187 D CA 1.142 55.037 54.000 -0.174 0.000 0.852 187 D CB -0.540 40.206 40.800 -0.090 0.000 0.947 187 D HN 0.443 nan 8.370 nan 0.000 0.494 188 A N 0.964 123.730 122.820 -0.091 0.000 1.933 188 A HA -0.055 4.265 4.320 0.000 0.000 0.218 188 A C 2.283 179.819 177.584 -0.080 0.000 1.175 188 A CA 1.994 53.989 52.037 -0.070 0.000 0.628 188 A CB -0.599 18.389 19.000 -0.020 0.000 0.814 188 A HN 0.232 nan 8.150 nan 0.000 0.444 189 A N -0.253 122.522 122.820 -0.075 0.000 1.969 189 A HA 0.008 4.328 4.320 0.000 0.000 0.218 189 A C 2.094 179.739 177.584 0.102 0.000 1.169 189 A CA 1.362 53.409 52.037 0.017 0.000 0.635 189 A CB -0.486 18.545 19.000 0.051 0.000 0.810 189 A HN 0.502 nan 8.150 nan 0.000 0.445 190 I N -0.578 119.880 120.570 -0.186 0.000 2.233 190 I HA -0.179 3.991 4.170 0.000 0.000 0.243 190 I C 2.632 178.635 176.117 -0.191 0.000 1.093 190 I CA 1.262 62.358 61.300 -0.339 0.000 1.380 190 I CB -0.441 37.025 38.000 -0.890 0.000 1.067 190 I HN 0.208 nan 8.210 nan 0.000 0.413 191 S N 0.510 116.071 115.700 -0.232 0.000 2.374 191 S HA -0.281 4.189 4.470 0.000 0.000 0.227 191 S C 1.634 176.192 174.600 -0.070 0.000 1.037 191 S CA 2.058 60.163 58.200 -0.159 0.000 1.024 191 S CB -0.416 62.701 63.200 -0.139 0.000 0.861 191 S HN 0.493 nan 8.310 nan 0.000 0.456 192 D N 0.068 120.424 120.400 -0.073 0.000 2.078 192 D HA -0.152 4.488 4.640 0.000 0.000 0.193 192 D C 1.799 178.123 176.300 0.039 0.000 0.990 192 D CA 1.153 55.097 54.000 -0.094 0.000 0.827 192 D CB -0.391 40.359 40.800 -0.084 0.000 0.975 192 D HN 0.407 nan 8.370 nan 0.000 0.451 193 Y N -0.295 120.044 120.300 0.065 0.000 2.193 193 Y HA -0.202 4.348 4.550 0.000 0.000 0.285 193 Y C 1.869 177.838 175.900 0.116 0.000 1.166 193 Y CA 1.503 59.673 58.100 0.116 0.000 1.181 193 Y CB -0.466 38.172 38.460 0.296 0.000 0.976 193 Y HN -0.018 nan 8.280 nan 0.000 0.520 194 F N -0.098 119.753 119.950 -0.165 0.000 2.259 194 F HA -0.038 4.489 4.527 0.000 0.000 0.298 194 F C 2.447 178.102 175.800 -0.243 0.000 1.088 194 F CA 1.153 58.962 58.000 -0.317 0.000 1.358 194 F CB -0.623 38.360 39.000 -0.029 0.000 1.040 194 F HN -0.051 nan 8.300 nan 0.000 0.505 195 R N 0.267 120.786 120.500 0.033 0.000 2.075 195 R HA -0.128 4.212 4.340 0.000 0.000 0.232 195 R C 2.091 178.347 176.300 -0.072 0.000 1.126 195 R CA 1.350 57.445 56.100 -0.009 0.000 0.963 195 R CB -0.230 30.032 30.300 -0.064 0.000 0.858 195 R HN 0.234 nan 8.270 nan 0.000 0.435 196 K N 0.089 120.404 120.400 -0.142 0.000 2.155 196 K HA -0.087 4.233 4.320 0.000 0.000 0.203 196 K C 1.776 178.239 176.600 -0.228 0.000 1.052 196 K CA 0.902 57.097 56.287 -0.153 0.000 0.948 196 K CB 0.161 32.573 32.500 -0.146 0.000 0.728 196 K HN 0.096 nan 8.250 nan 0.000 0.448 197 E N -0.483 119.460 120.200 -0.428 0.000 2.318 197 E HA -0.043 4.307 4.350 0.000 0.000 0.193 197 E C 1.071 177.507 176.600 -0.273 0.000 0.998 197 E CA 0.984 57.074 56.400 -0.517 0.000 0.859 197 E CB 0.265 29.359 29.700 -1.009 0.000 0.812 197 E HN 0.379 nan 8.360 nan 0.000 0.492 198 Y N -0.828 119.360 120.300 -0.186 0.000 2.430 198 Y HA 0.300 4.850 4.550 0.000 0.000 0.254 198 Y C 1.493 177.348 175.900 -0.074 0.000 1.088 198 Y CA -0.462 57.558 58.100 -0.133 0.000 1.267 198 Y CB 0.595 38.971 38.460 -0.139 0.000 1.204 198 Y HN -0.180 nan 8.280 nan 0.000 0.515 199 S N 0.048 115.799 115.700 0.085 0.000 2.651 199 S HA 0.126 4.596 4.470 0.000 0.000 0.246 199 S C 0.368 174.977 174.600 0.015 0.000 1.039 199 S CA -0.470 57.760 58.200 0.050 0.000 1.013 199 S CB -0.094 63.141 63.200 0.058 0.000 0.861 199 S HN 0.129 nan 8.310 nan 0.000 0.485 200 K N 1.169 121.569 120.400 -0.001 0.000 2.447 200 K HA 0.266 4.586 4.320 0.000 0.000 0.281 200 K C 1.192 177.784 176.600 -0.013 0.000 1.031 200 K CA 1.123 57.402 56.287 -0.012 0.000 1.019 200 K CB -0.023 32.463 32.500 -0.023 0.000 0.918 200 K HN 0.325 nan 8.250 nan 0.000 0.476 201 G N 2.110 110.899 108.800 -0.018 0.000 2.179 201 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 201 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 201 G C 0.435 175.318 174.900 -0.027 0.000 0.977 201 G CA 0.416 45.499 45.100 -0.028 0.000 0.641 201 G HN 0.464 nan 8.290 nan 0.000 0.533 202 V N 0.263 120.168 119.914 -0.014 0.000 2.868 202 V HA 0.299 4.419 4.120 0.000 0.000 0.227 202 V C 2.275 178.364 176.094 -0.008 0.000 1.136 202 V CA 2.241 64.535 62.300 -0.011 0.000 1.206 202 V CB 0.198 32.022 31.823 0.003 0.000 0.997 202 V HN 0.946 nan 8.190 nan 0.000 0.505 203 S N -1.613 114.096 115.700 0.014 0.000 2.666 203 S HA 0.265 4.735 4.470 0.000 0.000 0.239 203 S C 0.451 175.091 174.600 0.067 0.000 1.031 203 S CA -0.180 58.039 58.200 0.033 0.000 1.015 203 S CB 0.547 63.777 63.200 0.051 0.000 0.981 203 S HN 0.436 nan 8.310 nan 0.000 0.547 204 Q N 0.788 120.617 119.800 0.049 0.000 2.359 204 Q HA 0.669 5.009 4.340 0.000 0.000 0.274 204 Q C -2.318 173.701 176.000 0.031 0.000 1.074 204 Q CA -0.749 55.099 55.803 0.075 0.000 0.810 204 Q CB 2.309 31.074 28.738 0.045 0.000 1.342 204 Q HN 0.410 nan 8.270 nan 0.000 0.427 205 L N 5.409 126.653 121.223 0.036 0.000 2.528 205 L HA 0.581 4.921 4.340 0.000 0.000 0.267 205 L C -2.722 174.154 176.870 0.009 0.000 0.961 205 L CA -1.255 53.584 54.840 -0.001 0.000 0.866 205 L CB 2.363 44.401 42.059 -0.036 0.000 1.248 205 L HN 0.412 nan 8.230 nan 0.000 0.404 206 P HA 0.281 nan 4.420 nan 0.000 0.279 206 P C -1.105 176.192 177.300 -0.005 0.000 1.239 206 P CA -0.232 62.876 63.100 0.012 0.000 0.789 206 P CB 1.265 32.969 31.700 0.006 0.000 0.933 207 L N 3.474 124.702 121.223 0.009 0.000 2.334 207 L HA 0.431 4.771 4.340 0.000 0.000 0.270 207 L C 2.180 179.026 176.870 -0.039 0.000 1.018 207 L CA -1.011 53.815 54.840 -0.024 0.000 0.811 207 L CB 1.172 43.237 42.059 0.009 0.000 1.271 207 L HN 0.330 nan 8.230 nan 0.000 0.443 208 R N 0.957 121.376 120.500 -0.135 0.000 2.117 208 R HA -0.113 4.227 4.340 0.000 0.000 0.243 208 R C -0.713 175.553 176.300 -0.057 0.000 1.143 208 R CA 1.617 57.617 56.100 -0.166 0.000 0.968 208 R CB -0.237 29.847 30.300 -0.360 0.000 0.863 208 R HN 0.650 nan 8.270 nan 0.000 0.444 209 Y N -5.245 115.081 120.300 0.044 0.000 2.932 209 Y HA 0.391 4.941 4.550 0.000 0.000 0.384 209 Y C 0.039 175.952 175.900 0.021 0.000 1.193 209 Y CA -1.001 57.106 58.100 0.013 0.000 1.161 209 Y CB -0.063 38.387 38.460 -0.017 0.000 1.500 209 Y HN -0.077 nan 8.280 nan 0.000 0.463 210 G N 0.482 109.387 108.800 0.174 0.000 2.803 210 G HA2 0.224 4.184 3.960 0.000 0.000 0.177 210 G HA3 0.224 4.184 3.960 0.000 0.000 0.177 210 G C 0.567 175.405 174.900 -0.105 0.000 1.629 210 G CA 0.162 45.156 45.100 -0.176 0.000 1.077 210 G HN 0.797 nan 8.290 nan 0.000 0.556 211 M N -0.012 119.331 119.600 -0.429 0.000 2.267 211 M HA 0.067 4.547 4.480 0.000 0.000 0.263 211 M C 0.269 176.570 176.300 0.002 0.000 1.063 211 M CA 0.891 56.102 55.300 -0.148 0.000 1.090 211 M CB -0.370 32.111 32.600 -0.199 0.000 1.392 211 M HN 0.347 nan 8.290 nan 0.000 0.422 212 N N -2.223 116.396 118.700 -0.134 0.000 2.494 212 N HA 0.260 5.000 4.740 0.000 0.000 0.270 212 N C -2.489 172.707 175.510 -0.524 0.000 1.285 212 N CA -1.112 51.795 53.050 -0.238 0.000 0.812 212 N CB 1.387 39.713 38.487 -0.269 0.000 1.557 212 N HN -0.300 nan 8.380 nan 0.000 0.487 213 P HA -0.129 nan 4.420 nan 0.000 0.222 213 P C 0.746 177.824 177.300 -0.370 0.000 1.142 213 P CA 1.305 63.820 63.100 -0.976 0.000 0.788 213 P CB -0.106 31.156 31.700 -0.730 0.000 0.767 214 H N -2.147 116.795 119.070 -0.214 0.000 2.526 214 H HA 0.217 4.773 4.556 0.000 0.000 0.274 214 H C -0.087 175.199 175.328 -0.070 0.000 0.999 214 H CA 0.006 55.987 56.048 -0.112 0.000 1.157 214 H CB -0.246 29.466 29.762 -0.083 0.000 1.407 214 H HN 0.210 nan 8.280 nan 0.000 0.568 215 Q N 1.468 121.065 119.800 -0.339 0.000 2.462 215 Q HA 0.475 4.815 4.340 0.000 0.000 0.247 215 Q C -0.886 175.073 176.000 -0.069 0.000 1.044 215 Q CA -0.412 55.263 55.803 -0.213 0.000 0.803 215 Q CB 2.020 30.559 28.738 -0.331 0.000 1.190 215 Q HN 0.080 nan 8.270 nan 0.000 0.507 216 S N 2.171 117.862 115.700 -0.016 0.000 2.549 216 S HA 0.690 5.160 4.470 0.000 0.000 0.280 216 S C -2.132 172.481 174.600 0.021 0.000 1.109 216 S CA -0.914 57.302 58.200 0.027 0.000 0.905 216 S CB 1.267 64.495 63.200 0.048 0.000 1.081 216 S HN 0.541 nan 8.310 nan 0.000 0.477 217 P HA 0.859 nan 4.420 nan 0.000 0.284 217 P C -1.570 175.765 177.300 0.059 0.000 1.292 217 P CA -0.652 62.478 63.100 0.049 0.000 0.800 217 P CB 0.981 32.709 31.700 0.045 0.000 1.188 218 A N -0.032 122.840 122.820 0.085 0.000 2.572 218 A HA 0.654 4.974 4.320 0.000 0.000 0.295 218 A C -1.110 176.554 177.584 0.134 0.000 1.072 218 A CA -0.517 51.600 52.037 0.133 0.000 0.691 218 A CB 1.848 20.952 19.000 0.173 0.000 1.291 218 A HN 0.775 nan 8.150 nan 0.000 0.404 219 Q N -0.060 119.839 119.800 0.164 0.000 2.685 219 Q HA 0.765 5.105 4.340 0.000 0.000 0.301 219 Q C -1.918 174.131 176.000 0.083 0.000 0.924 219 Q CA -0.924 54.951 55.803 0.120 0.000 0.755 219 Q CB 1.521 30.348 28.738 0.148 0.000 1.470 219 Q HN 1.227 nan 8.270 nan 0.000 0.434 220 L N 1.714 122.958 121.223 0.035 0.000 2.385 220 L HA 0.813 5.153 4.340 0.000 0.000 0.273 220 L C -1.834 175.052 176.870 0.026 0.000 0.990 220 L CA -0.348 54.447 54.840 -0.075 0.000 0.821 220 L CB 1.784 43.765 42.059 -0.131 0.000 1.279 220 L HN 0.770 nan 8.230 nan 0.000 0.412 221 Y N 0.950 121.225 120.300 -0.043 0.000 2.689 221 Y HA 0.836 5.386 4.550 0.000 0.000 0.333 221 Y C -1.133 174.750 175.900 -0.028 0.000 1.208 221 Y CA -0.806 57.275 58.100 -0.032 0.000 1.055 221 Y CB 1.206 39.662 38.460 -0.007 0.000 1.304 221 Y HN 0.730 nan 8.280 nan 0.000 0.455 222 T N -0.424 114.291 114.554 0.268 0.000 2.896 222 T HA 0.409 4.759 4.350 0.000 0.000 0.297 222 T C 0.218 175.072 174.700 0.257 0.000 1.108 222 T CA -0.081 62.125 62.100 0.176 0.000 1.004 222 T CB 1.292 70.194 68.868 0.056 0.000 1.159 222 T HN 1.104 nan 8.240 nan 0.000 0.499 223 T N 0.836 115.511 114.554 0.202 0.000 3.219 223 T HA 0.345 4.695 4.350 0.000 0.000 0.249 223 T C 0.758 175.516 174.700 0.098 0.000 1.099 223 T CA -0.202 61.986 62.100 0.147 0.000 0.988 223 T CB -0.200 68.746 68.868 0.131 0.000 0.999 223 T HN 0.446 nan 8.240 nan 0.000 0.550 224 R N 1.005 121.565 120.500 0.101 0.000 2.608 224 R HA 0.370 4.710 4.340 0.000 0.000 0.255 224 R C -1.696 174.643 176.300 0.065 0.000 1.086 224 R CA -2.239 53.910 56.100 0.082 0.000 1.125 224 R CB 0.026 30.387 30.300 0.102 0.000 1.193 224 R HN -0.064 nan 8.270 nan 0.000 0.553 225 P HA -0.181 nan 4.420 nan 0.000 0.215 225 P C -0.633 176.686 177.300 0.031 0.000 1.153 225 P CA 1.677 64.801 63.100 0.040 0.000 0.853 225 P CB 0.223 31.942 31.700 0.032 0.000 0.788 226 K N -2.000 118.414 120.400 0.022 0.000 2.527 226 K HA 0.387 4.707 4.320 0.000 0.000 0.260 226 K C -1.125 175.455 176.600 -0.033 0.000 0.937 226 K CA -0.900 55.386 56.287 -0.002 0.000 0.826 226 K CB 0.948 33.442 32.500 -0.011 0.000 1.359 226 K HN -0.220 nan 8.250 nan 0.000 0.434 227 L N 3.372 124.557 121.223 -0.063 0.000 2.455 227 L HA 0.131 4.471 4.340 0.000 0.000 0.272 227 L C -1.122 175.628 176.870 -0.199 0.000 1.174 227 L CA -1.382 53.375 54.840 -0.139 0.000 0.869 227 L CB 0.565 42.547 42.059 -0.127 0.000 1.130 227 L HN 0.682 nan 8.230 nan 0.000 0.474 228 P HA -0.065 nan 4.420 nan 0.000 0.233 228 P C 0.023 177.118 177.300 -0.342 0.000 1.167 228 P CA 0.761 63.636 63.100 -0.375 0.000 0.770 228 P CB 0.452 31.681 31.700 -0.784 0.000 0.837 229 L N 0.791 121.819 121.223 -0.326 0.000 2.322 229 L HA 0.520 4.860 4.340 0.000 0.000 0.281 229 L C -0.623 176.134 176.870 -0.189 0.000 1.014 229 L CA -0.339 54.335 54.840 -0.277 0.000 0.815 229 L CB 1.902 43.783 42.059 -0.296 0.000 1.247 229 L HN -0.150 nan 8.230 nan 0.000 0.421 230 T N 1.298 115.760 114.554 -0.154 0.000 2.900 230 T HA 0.536 4.886 4.350 0.000 0.000 0.295 230 T C -0.583 174.056 174.700 -0.101 0.000 1.044 230 T CA -0.737 61.296 62.100 -0.112 0.000 0.995 230 T CB 1.723 70.537 68.868 -0.091 0.000 1.072 230 T HN 0.262 nan 8.240 nan 0.000 0.473 231 V N 3.452 123.311 119.914 -0.093 0.000 2.408 231 V HA 0.175 4.295 4.120 0.000 0.000 0.267 231 V C 1.069 177.102 176.094 -0.103 0.000 1.047 231 V CA -0.232 62.010 62.300 -0.096 0.000 0.937 231 V CB 1.008 32.779 31.823 -0.087 0.000 0.999 231 V HN 0.930 nan 8.190 nan 0.000 0.472 232 V N 4.196 124.028 119.914 -0.136 0.000 3.125 232 V HA 0.180 4.300 4.120 0.000 0.000 0.249 232 V C 0.626 176.624 176.094 -0.161 0.000 1.113 232 V CA 0.760 62.963 62.300 -0.161 0.000 1.106 232 V CB -0.166 31.508 31.823 -0.247 0.000 0.768 232 V HN 0.920 nan 8.190 nan 0.000 0.468 233 N N -1.757 116.844 118.700 -0.165 0.000 2.484 233 N HA 0.537 5.277 4.740 0.000 0.000 0.269 233 N C -0.086 175.350 175.510 -0.123 0.000 1.237 233 N CA 0.608 53.579 53.050 -0.132 0.000 0.838 233 N CB 1.926 40.332 38.487 -0.135 0.000 1.593 233 N HN 0.362 nan 8.380 nan 0.000 0.485 234 G N 0.687 109.435 108.800 -0.087 0.000 2.641 234 G HA2 -0.081 3.879 3.960 0.000 0.000 0.254 234 G HA3 -0.081 3.879 3.960 0.000 0.000 0.254 234 G C -0.787 174.067 174.900 -0.077 0.000 1.315 234 G CA 0.062 45.115 45.100 -0.079 0.000 0.907 234 G HN 1.115 nan 8.290 nan 0.000 0.572 235 S N 1.402 117.057 115.700 -0.074 0.000 2.750 235 S HA 0.665 5.135 4.470 0.000 0.000 0.276 235 S C -2.343 172.210 174.600 -0.078 0.000 1.165 235 S CA -0.090 58.067 58.200 -0.072 0.000 1.047 235 S CB 1.929 65.093 63.200 -0.060 0.000 1.056 235 S HN 0.778 nan 8.310 nan 0.000 0.481 236 P HA 0.348 nan 4.420 nan 0.000 0.272 236 P C 0.334 177.561 177.300 -0.122 0.000 1.230 236 P CA -0.048 63.007 63.100 -0.075 0.000 0.788 236 P CB 0.643 32.294 31.700 -0.082 0.000 0.949 237 G N -0.014 108.705 108.800 -0.135 0.000 2.753 237 G HA2 0.307 4.267 3.960 0.000 0.000 0.285 237 G HA3 0.307 4.267 3.960 0.000 0.000 0.285 237 G C 0.075 174.920 174.900 -0.091 0.000 1.344 237 G CA -0.699 44.284 45.100 -0.195 0.000 1.050 237 G HN 0.391 nan 8.290 nan 0.000 0.532 238 F N -0.145 119.705 119.950 -0.166 0.000 2.031 238 F HA -0.006 4.521 4.527 0.000 0.000 0.295 238 F C 2.661 178.413 175.800 -0.081 0.000 1.133 238 F CA 1.570 59.517 58.000 -0.088 0.000 1.188 238 F CB -0.168 38.819 39.000 -0.021 0.000 0.974 238 F HN 0.214 nan 8.300 nan 0.000 0.473 239 I N 0.388 121.070 120.570 0.188 0.000 2.264 239 I HA -0.382 3.788 4.170 0.000 0.000 0.248 239 I C 2.043 178.097 176.117 -0.104 0.000 1.111 239 I CA 1.757 63.106 61.300 0.081 0.000 1.382 239 I CB -0.874 37.216 38.000 0.151 0.000 1.060 239 I HN 0.317 nan 8.210 nan 0.000 0.418 240 N N 0.841 119.461 118.700 -0.133 0.000 2.060 240 N HA -0.214 4.526 4.740 0.000 0.000 0.195 240 N C 1.914 177.051 175.510 -0.620 0.000 1.028 240 N CA 1.229 54.105 53.050 -0.290 0.000 0.861 240 N CB -0.113 38.307 38.487 -0.112 0.000 1.029 240 N HN 0.303 nan 8.380 nan 0.000 0.428 241 L N 0.046 121.002 121.223 -0.444 0.000 2.131 241 L HA -0.093 4.247 4.340 0.000 0.000 0.206 241 L C 2.472 179.093 176.870 -0.416 0.000 1.087 241 L CA 0.456 55.018 54.840 -0.464 0.000 0.767 241 L CB -0.284 41.539 42.059 -0.394 0.000 0.917 241 L HN 0.337 nan 8.230 nan 0.000 0.441 242 C N 0.045 119.133 119.300 -0.353 0.000 2.401 242 C HA -0.196 4.264 4.460 0.000 0.000 0.276 242 C C 2.474 177.375 174.990 -0.150 0.000 1.233 242 C CA 0.855 59.749 59.018 -0.206 0.000 1.753 242 C CB -0.717 26.970 27.740 -0.087 0.000 2.029 242 C HN 0.554 nan 8.230 nan 0.000 0.478 243 D N 0.529 120.804 120.400 -0.209 0.000 2.103 243 D HA -0.042 4.598 4.640 0.000 0.000 0.199 243 D C 2.351 178.342 176.300 -0.514 0.000 0.978 243 D CA 1.586 55.475 54.000 -0.185 0.000 0.829 243 D CB -0.583 40.168 40.800 -0.082 0.000 0.981 243 D HN 0.474 nan 8.370 nan 0.000 0.464 244 A N 1.145 123.512 122.820 -0.755 0.000 1.883 244 A HA -0.161 4.159 4.320 0.000 0.000 0.217 244 A C 2.418 179.808 177.584 -0.322 0.000 1.186 244 A CA 1.163 52.809 52.037 -0.653 0.000 0.624 244 A CB -0.922 17.599 19.000 -0.800 0.000 0.822 244 A HN 0.211 nan 8.150 nan 0.000 0.444 245 L N -0.525 120.528 121.223 -0.283 0.000 2.217 245 L HA -0.133 4.207 4.340 0.000 0.000 0.211 245 L C 2.244 179.039 176.870 -0.124 0.000 1.107 245 L CA 0.866 55.622 54.840 -0.140 0.000 0.783 245 L CB -0.489 41.490 42.059 -0.133 0.000 0.919 245 L HN 0.423 nan 8.230 nan 0.000 0.442 246 N N 0.140 118.704 118.700 -0.226 0.000 2.251 246 N HA -0.035 4.705 4.740 0.000 0.000 0.181 246 N C 1.941 177.075 175.510 -0.627 0.000 1.019 246 N CA 1.271 54.170 53.050 -0.252 0.000 0.862 246 N CB -0.014 38.525 38.487 0.086 0.000 0.992 246 N HN 0.223 nan 8.380 nan 0.000 0.429 247 A N 1.480 123.666 122.820 -1.057 0.000 1.972 247 A HA -0.162 4.158 4.320 0.000 0.000 0.219 247 A C 1.995 179.337 177.584 -0.403 0.000 1.169 247 A CA 0.911 52.279 52.037 -1.116 0.000 0.635 247 A CB -1.023 17.355 19.000 -1.035 0.000 0.810 247 A HN 0.606 nan 8.150 nan 0.000 0.446 248 W N 0.715 121.774 121.300 -0.402 0.000 2.379 248 W HA -0.207 4.453 4.660 0.000 0.000 0.307 248 W C 1.942 178.304 176.519 -0.261 0.000 1.200 248 W CA 1.845 59.041 57.345 -0.249 0.000 1.297 248 W CB -0.352 28.997 29.460 -0.186 0.000 1.140 248 W HN 0.513 nan 8.180 nan 0.000 0.507 249 Q N 0.714 120.204 119.800 -0.516 0.000 2.124 249 Q HA -0.232 4.108 4.340 0.000 0.000 0.202 249 Q C 2.482 178.054 176.000 -0.713 0.000 0.977 249 Q CA 1.785 57.203 55.803 -0.641 0.000 0.850 249 Q CB -0.510 27.871 28.738 -0.595 0.000 0.901 249 Q HN 0.394 nan 8.270 nan 0.000 0.429 250 L N 0.685 121.439 121.223 -0.781 0.000 1.961 250 L HA -0.193 4.147 4.340 0.000 0.000 0.210 250 L C 2.454 179.168 176.870 -0.260 0.000 1.072 250 L CA 1.570 56.172 54.840 -0.397 0.000 0.749 250 L CB -0.458 41.518 42.059 -0.139 0.000 0.889 250 L HN 0.245 nan 8.230 nan 0.000 0.432 251 V N -1.675 118.060 119.914 -0.298 0.000 2.287 251 V HA -0.330 3.790 4.120 0.000 0.000 0.248 251 V C 2.538 178.389 176.094 -0.405 0.000 1.053 251 V CA 2.338 64.476 62.300 -0.271 0.000 1.027 251 V CB -1.084 30.602 31.823 -0.230 0.000 0.646 251 V HN 0.572 nan 8.190 nan 0.000 0.447 252 K N 0.524 120.491 120.400 -0.722 0.000 2.032 252 K HA -0.248 4.072 4.320 0.000 0.000 0.209 252 K C 2.243 178.635 176.600 -0.346 0.000 1.048 252 K CA 2.255 58.123 56.287 -0.699 0.000 0.927 252 K CB -0.338 31.539 32.500 -1.039 0.000 0.712 252 K HN 0.668 nan 8.250 nan 0.000 0.441 253 E N 0.215 120.252 120.200 -0.272 0.000 2.150 253 E HA -0.170 4.180 4.350 0.000 0.000 0.193 253 E C 1.943 178.494 176.600 -0.083 0.000 0.985 253 E CA 0.760 57.087 56.400 -0.122 0.000 0.814 253 E CB 0.002 29.684 29.700 -0.030 0.000 0.752 253 E HN 0.179 nan 8.360 nan 0.000 0.466 254 L N 1.481 122.649 121.223 -0.093 0.000 2.017 254 L HA -0.208 4.132 4.340 0.000 0.000 0.208 254 L C 2.221 179.059 176.870 -0.053 0.000 1.073 254 L CA 1.817 56.627 54.840 -0.049 0.000 0.745 254 L CB -0.268 41.766 42.059 -0.041 0.000 0.894 254 L HN -0.064 nan 8.230 nan 0.000 0.432 255 K N -1.133 119.214 120.400 -0.088 0.000 2.062 255 K HA -0.178 4.142 4.320 0.000 0.000 0.205 255 K C 2.001 178.568 176.600 -0.055 0.000 1.051 255 K CA 1.359 57.605 56.287 -0.068 0.000 0.941 255 K CB -0.085 32.362 32.500 -0.089 0.000 0.719 255 K HN 0.440 nan 8.250 nan 0.000 0.440 256 Q N -0.267 119.491 119.800 -0.070 0.000 2.226 256 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 256 Q C 1.950 177.930 176.000 -0.033 0.000 0.975 256 Q CA 1.403 57.176 55.803 -0.049 0.000 0.866 256 Q CB -0.040 28.664 28.738 -0.057 0.000 0.915 256 Q HN 0.408 nan 8.270 nan 0.000 0.440 257 A N 0.289 123.091 122.820 -0.030 0.000 1.903 257 A HA 0.022 4.342 4.320 0.000 0.000 0.213 257 A C 1.759 179.341 177.584 -0.004 0.000 1.185 257 A CA 0.699 52.728 52.037 -0.014 0.000 0.628 257 A CB 0.032 19.029 19.000 -0.005 0.000 0.830 257 A HN 0.264 nan 8.150 nan 0.000 0.446 258 L N -1.409 119.811 121.223 -0.006 0.000 2.731 258 L HA 0.286 4.626 4.340 0.000 0.000 0.240 258 L C 1.356 178.223 176.870 -0.005 0.000 1.120 258 L CA 0.354 55.194 54.840 -0.001 0.000 0.913 258 L CB 0.094 42.155 42.059 0.003 0.000 1.213 258 L HN 0.497 nan 8.230 nan 0.000 0.515 259 G N 2.050 110.843 108.800 -0.011 0.000 2.323 259 G HA2 -0.283 3.677 3.960 0.000 0.000 0.292 259 G HA3 -0.283 3.677 3.960 0.000 0.000 0.292 259 G C -0.148 174.748 174.900 -0.007 0.000 1.040 259 G CA 0.391 45.485 45.100 -0.010 0.000 0.942 259 G HN 0.349 nan 8.290 nan 0.000 0.506 260 I N -0.773 119.792 120.570 -0.009 0.000 2.722 260 I HA 0.294 4.464 4.170 0.000 0.000 0.295 260 I C -2.386 173.728 176.117 -0.006 0.000 1.161 260 I CA -2.695 58.603 61.300 -0.003 0.000 1.032 260 I CB 2.669 40.671 38.000 0.003 0.000 1.244 260 I HN -0.172 nan 8.210 nan 0.000 0.421 261 P HA 0.050 nan 4.420 nan 0.000 0.263 261 P C -1.056 176.248 177.300 0.006 0.000 1.175 261 P CA 0.195 63.295 63.100 0.000 0.000 0.761 261 P CB 0.505 32.210 31.700 0.008 0.000 0.794 262 A N 2.362 125.180 122.820 -0.004 0.000 2.413 262 A HA 0.873 5.193 4.320 0.000 0.000 0.307 262 A C -0.883 176.722 177.584 0.035 0.000 1.087 262 A CA -0.322 51.719 52.037 0.007 0.000 0.750 262 A CB 1.793 20.774 19.000 -0.032 0.000 1.296 262 A HN 0.540 nan 8.150 nan 0.000 0.423 263 A N -0.214 122.655 122.820 0.082 0.000 2.569 263 A HA 1.037 5.357 4.320 0.000 0.000 0.290 263 A C -0.502 177.192 177.584 0.184 0.000 1.136 263 A CA -0.149 51.977 52.037 0.149 0.000 0.710 263 A CB 1.393 20.541 19.000 0.247 0.000 1.303 263 A HN 2.660 nan 8.150 nan 0.000 0.413 264 A N -0.434 122.545 122.820 0.266 0.000 2.589 264 A HA 0.736 5.056 4.320 0.000 0.000 0.296 264 A C -0.779 177.071 177.584 0.442 0.000 1.062 264 A CA -0.083 52.151 52.037 0.329 0.000 0.686 264 A CB 1.236 20.447 19.000 0.352 0.000 1.282 264 A HN 1.370 nan 8.150 nan 0.000 0.404 265 S N 0.980 116.942 115.700 0.438 0.000 2.594 265 S HA 0.671 5.141 4.470 0.000 0.000 0.322 265 S C -1.328 173.545 174.600 0.456 0.000 1.085 265 S CA -0.166 58.302 58.200 0.447 0.000 1.116 265 S CB -0.337 63.045 63.200 0.304 0.000 0.979 265 S HN 0.415 nan 8.310 nan 0.000 0.465 266 F N 3.283 123.374 119.950 0.235 0.000 2.399 266 F HA 0.671 5.198 4.527 0.000 0.000 0.334 266 F C 0.309 176.224 175.800 0.193 0.000 1.097 266 F CA -0.764 57.357 58.000 0.203 0.000 1.076 266 F CB 1.495 40.607 39.000 0.186 0.000 1.162 266 F HN 0.290 nan 8.300 nan 0.000 0.495 267 K N 2.293 122.820 120.400 0.211 0.000 2.565 267 K HA 0.327 4.647 4.320 0.000 0.000 0.249 267 K C -0.739 175.968 176.600 0.178 0.000 0.958 267 K CA -0.446 55.941 56.287 0.166 0.000 0.806 267 K CB 0.284 32.884 32.500 0.168 0.000 1.194 267 K HN 0.574 nan 8.250 nan 0.000 0.434 268 H N 3.401 122.576 119.070 0.175 0.000 2.677 268 H HA -0.130 4.426 4.556 0.000 0.000 0.321 268 H C -0.246 175.172 175.328 0.150 0.000 1.171 268 H CA 1.064 57.200 56.048 0.148 0.000 1.139 268 H CB -1.412 28.418 29.762 0.112 0.000 1.515 268 H HN 0.665 nan 8.280 nan 0.000 0.423 269 V N -1.267 118.827 119.914 0.300 0.000 4.448 269 V HA -0.314 3.806 4.120 0.000 0.000 0.248 269 V C 0.763 177.022 176.094 0.275 0.000 0.492 269 V CA 1.705 64.221 62.300 0.361 0.000 0.835 269 V CB -1.632 30.350 31.823 0.264 0.000 0.834 269 V HN 0.647 nan 8.190 nan 0.000 1.243 270 S N -0.074 115.610 115.700 -0.027 0.000 2.541 270 S HA 0.640 5.110 4.470 0.000 0.000 0.271 270 S C -2.799 171.188 174.600 -1.022 0.000 1.133 270 S CA -0.845 57.143 58.200 -0.353 0.000 0.876 270 S CB 3.209 66.364 63.200 -0.076 0.000 1.105 270 S HN 0.272 nan 8.310 nan 0.000 0.470 271 P HA 0.263 nan 4.420 nan 0.000 0.276 271 P C -0.198 176.939 177.300 -0.272 0.000 1.243 271 P CA -0.160 62.420 63.100 -0.867 0.000 0.768 271 P CB 1.201 32.675 31.700 -0.377 0.000 0.856 272 A N 3.574 126.330 122.820 -0.106 0.000 2.030 272 A HA 0.425 4.745 4.320 0.000 0.000 0.215 272 A C 1.085 178.693 177.584 0.039 0.000 1.164 272 A CA 1.259 53.305 52.037 0.015 0.000 0.697 272 A CB -0.471 18.582 19.000 0.088 0.000 0.827 272 A HN 0.663 nan 8.150 nan 0.000 0.457 273 G N -2.875 105.958 108.800 0.054 0.000 2.601 273 G HA2 0.684 4.644 3.960 0.000 0.000 0.291 273 G HA3 0.684 4.644 3.960 0.000 0.000 0.291 273 G C -1.288 173.671 174.900 0.098 0.000 1.456 273 G CA 0.132 45.267 45.100 0.057 0.000 0.804 273 G HN 1.287 nan 8.290 nan 0.000 0.499 274 A N -1.137 121.730 122.820 0.078 0.000 2.594 274 A HA 1.106 5.426 4.320 0.000 0.000 0.296 274 A C -0.497 177.126 177.584 0.065 0.000 1.056 274 A CA 0.381 52.482 52.037 0.107 0.000 0.693 274 A CB 1.162 20.240 19.000 0.131 0.000 1.278 274 A HN 2.685 nan 8.150 nan 0.000 0.408 275 A N -0.067 122.796 122.820 0.072 0.000 2.544 275 A HA 0.801 5.121 4.320 0.000 0.000 0.291 275 A C -0.764 176.849 177.584 0.048 0.000 1.055 275 A CA 0.069 52.136 52.037 0.050 0.000 0.651 275 A CB 0.272 19.301 19.000 0.047 0.000 1.296 275 A HN 2.299 nan 8.150 nan 0.000 0.431 276 V N -1.127 118.808 119.914 0.036 0.000 2.732 276 V HA 0.801 4.921 4.120 0.000 0.000 0.310 276 V C 1.037 177.153 176.094 0.037 0.000 1.053 276 V CA -0.080 62.237 62.300 0.029 0.000 0.957 276 V CB 1.352 33.184 31.823 0.016 0.000 1.018 276 V HN 1.921 nan 8.190 nan 0.000 0.452 277 G N 3.060 111.880 108.800 0.034 0.000 3.022 277 G HA2 0.116 4.076 3.960 0.000 0.000 0.246 277 G HA3 0.116 4.076 3.960 0.000 0.000 0.246 277 G C 0.307 175.228 174.900 0.036 0.000 0.859 277 G CA -0.155 44.967 45.100 0.036 0.000 1.941 277 G HN 0.511 nan 8.290 nan 0.000 0.589 278 I N 2.337 122.933 120.570 0.044 0.000 2.517 278 I HA 0.129 4.299 4.170 0.000 0.000 0.285 278 I C -1.566 174.587 176.117 0.060 0.000 1.106 278 I CA -2.987 58.343 61.300 0.050 0.000 1.402 278 I CB 0.592 38.626 38.000 0.057 0.000 1.399 278 I HN 0.144 nan 8.210 nan 0.000 0.535 279 P HA 0.073 nan 4.420 nan 0.000 0.265 279 P C -0.776 176.579 177.300 0.092 0.000 1.187 279 P CA -0.236 62.893 63.100 0.049 0.000 0.766 279 P CB 0.665 32.388 31.700 0.038 0.000 0.820 280 L N 1.908 123.191 121.223 0.100 0.000 2.360 280 L HA 0.387 4.727 4.340 0.000 0.000 0.271 280 L C 1.198 178.238 176.870 0.283 0.000 1.057 280 L CA -0.207 54.740 54.840 0.177 0.000 0.803 280 L CB 0.688 42.854 42.059 0.178 0.000 1.207 280 L HN 0.406 nan 8.230 nan 0.000 0.445 281 S N -0.491 115.355 115.700 0.244 0.000 2.672 281 S HA 0.351 4.821 4.470 0.000 0.000 0.276 281 S C 0.752 175.433 174.600 0.134 0.000 1.207 281 S CA -0.627 57.693 58.200 0.199 0.000 1.002 281 S CB 1.048 64.328 63.200 0.134 0.000 0.998 281 S HN 0.561 nan 8.310 nan 0.000 0.542 282 E N 0.923 121.069 120.200 -0.089 0.000 2.118 282 E HA -0.153 4.197 4.350 0.000 0.000 0.195 282 E C 1.784 178.411 176.600 0.045 0.000 0.992 282 E CA 1.777 58.105 56.400 -0.120 0.000 0.804 282 E CB -0.252 29.359 29.700 -0.149 0.000 0.741 282 E HN 0.802 nan 8.360 nan 0.000 0.458 283 E N 0.011 120.223 120.200 0.020 0.000 2.072 283 E HA -0.202 4.148 4.350 0.000 0.000 0.191 283 E C 1.997 178.576 176.600 -0.036 0.000 0.985 283 E CA 1.086 57.476 56.400 -0.016 0.000 0.801 283 E CB -0.012 29.682 29.700 -0.009 0.000 0.750 283 E HN 0.128 nan 8.360 nan 0.000 0.452 284 E N 0.969 121.190 120.200 0.036 0.000 2.077 284 E HA -0.156 4.194 4.350 0.000 0.000 0.193 284 E C 1.862 178.505 176.600 0.070 0.000 0.989 284 E CA 1.321 57.747 56.400 0.043 0.000 0.800 284 E CB -0.208 29.603 29.700 0.185 0.000 0.746 284 E HN 0.236 nan 8.360 nan 0.000 0.452 285 A N 0.458 123.365 122.820 0.145 0.000 1.940 285 A HA -0.277 4.043 4.320 0.000 0.000 0.219 285 A C 2.212 179.877 177.584 0.134 0.000 1.176 285 A CA 1.850 53.995 52.037 0.180 0.000 0.631 285 A CB -0.629 18.559 19.000 0.313 0.000 0.814 285 A HN 0.399 nan 8.150 nan 0.000 0.446 286 Q N -0.451 119.404 119.800 0.092 0.000 2.046 286 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 286 Q C 2.098 178.082 176.000 -0.026 0.000 0.975 286 Q CA 1.813 57.635 55.803 0.031 0.000 0.836 286 Q CB -0.178 28.522 28.738 -0.064 0.000 0.896 286 Q HN 0.470 nan 8.270 nan 0.000 0.428 287 V N -0.012 119.839 119.914 -0.105 0.000 2.332 287 V HA -0.306 3.814 4.120 0.000 0.000 0.248 287 V C 2.126 178.208 176.094 -0.021 0.000 1.055 287 V CA 1.453 63.658 62.300 -0.159 0.000 1.038 287 V CB -0.455 31.102 31.823 -0.443 0.000 0.651 287 V HN 0.491 nan 8.190 nan 0.000 0.450 288 C N -0.324 118.998 119.300 0.037 0.000 2.573 288 C HA 0.260 4.720 4.460 0.000 0.000 0.273 288 C C 1.445 176.470 174.990 0.059 0.000 1.346 288 C CA -0.217 58.849 59.018 0.080 0.000 1.702 288 C CB -1.782 26.021 27.740 0.104 0.000 1.751 288 C HN 0.681 nan 8.230 nan 0.000 0.583 289 M N -0.623 119.008 119.600 0.052 0.000 2.297 289 M HA -0.162 4.318 4.480 0.000 0.000 0.200 289 M C 0.321 176.661 176.300 0.066 0.000 0.414 289 M CA 0.548 55.879 55.300 0.051 0.000 0.449 289 M CB -1.531 31.087 32.600 0.030 0.000 1.436 289 M HN 0.396 nan 8.290 nan 0.000 0.912 290 V N -4.582 115.389 119.914 0.095 0.000 3.157 290 V HA 0.146 4.266 4.120 0.000 0.000 0.361 290 V C 1.500 177.662 176.094 0.112 0.000 1.421 290 V CA 0.230 62.582 62.300 0.088 0.000 1.213 290 V CB -0.185 31.681 31.823 0.072 0.000 1.164 290 V HN 0.682 nan 8.190 nan 0.000 0.559 291 H N 3.335 122.441 119.070 0.060 0.000 2.353 291 H HA -0.166 4.390 4.556 -0.000 0.000 0.300 291 H C 1.668 177.040 175.328 0.074 0.000 1.090 291 H CA 2.457 58.547 56.048 0.071 0.000 1.327 291 H CB 0.049 29.825 29.762 0.023 0.000 1.383 291 H HN 0.728 nan 8.280 nan 0.000 0.508 292 D N 0.493 120.859 120.400 -0.056 0.000 2.378 292 D HA -0.101 4.539 4.640 0.000 0.000 0.222 292 D C 1.646 177.896 176.300 -0.082 0.000 0.980 292 D CA 0.407 54.348 54.000 -0.098 0.000 0.907 292 D CB -0.271 40.549 40.800 0.034 0.000 0.899 292 D HN 0.450 nan 8.370 nan 0.000 0.527 293 L N -0.359 120.838 121.223 -0.044 0.000 2.766 293 L HA 0.113 4.453 4.340 0.000 0.000 0.242 293 L C 2.145 179.006 176.870 -0.015 0.000 1.136 293 L CA -0.421 54.407 54.840 -0.019 0.000 0.933 293 L CB -0.210 41.850 42.059 0.001 0.000 1.241 293 L HN 0.036 nan 8.230 nan 0.000 0.522 294 H N 2.427 121.432 119.070 -0.108 0.000 2.267 294 H HA -0.237 4.319 4.556 0.000 0.000 0.291 294 H C 1.526 176.829 175.328 -0.042 0.000 1.094 294 H CA 2.112 58.117 56.048 -0.072 0.000 1.227 294 H CB 0.334 30.030 29.762 -0.111 0.000 1.351 294 H HN 0.289 nan 8.280 nan 0.000 0.483 295 K N -0.307 120.118 120.400 0.043 0.000 2.360 295 K HA -0.072 4.248 4.320 0.000 0.000 0.201 295 K C 2.040 178.612 176.600 -0.047 0.000 1.046 295 K CA 1.415 57.709 56.287 0.011 0.000 0.945 295 K CB 0.063 32.595 32.500 0.054 0.000 0.750 295 K HN 0.508 nan 8.250 nan 0.000 0.464 296 T N -1.524 112.999 114.554 -0.053 0.000 3.044 296 T HA 0.157 4.508 4.350 0.000 0.000 0.250 296 T C 0.691 175.361 174.700 -0.051 0.000 1.081 296 T CA -0.308 61.768 62.100 -0.040 0.000 1.040 296 T CB -0.137 68.717 68.868 -0.023 0.000 0.962 296 T HN -0.051 nan 8.240 nan 0.000 0.506 297 L N 3.962 125.132 121.223 -0.088 0.000 2.559 297 L HA 0.228 4.568 4.340 0.000 0.000 0.274 297 L C 0.973 177.808 176.870 -0.058 0.000 1.205 297 L CA -0.293 54.502 54.840 -0.075 0.000 0.907 297 L CB -0.059 41.928 42.059 -0.120 0.000 1.153 297 L HN 0.362 nan 8.230 nan 0.000 0.490 298 T N 0.168 114.707 114.554 -0.024 0.000 2.927 298 T HA 0.312 4.662 4.350 0.000 0.000 0.281 298 T C -1.889 172.809 174.700 -0.004 0.000 0.998 298 T CA -2.014 60.078 62.100 -0.014 0.000 1.019 298 T CB 1.616 70.482 68.868 -0.004 0.000 1.061 298 T HN 0.269 nan 8.240 nan 0.000 0.518 299 P HA -0.107 nan 4.420 nan 0.000 0.216 299 P C 1.626 178.941 177.300 0.024 0.000 1.150 299 P CA 0.418 63.525 63.100 0.011 0.000 0.843 299 P CB -0.029 31.677 31.700 0.009 0.000 0.787 300 L N -0.239 120.998 121.223 0.023 0.000 2.027 300 L HA -0.048 4.292 4.340 0.000 0.000 0.206 300 L C 2.164 179.074 176.870 0.066 0.000 1.074 300 L CA 2.129 56.991 54.840 0.037 0.000 0.745 300 L CB -1.705 40.364 42.059 0.018 0.000 0.898 300 L HN -0.117 nan 8.230 nan 0.000 0.433 301 A N -1.277 121.575 122.820 0.054 0.000 1.933 301 A HA -0.180 4.140 4.320 0.000 0.000 0.218 301 A C 2.365 180.006 177.584 0.095 0.000 1.175 301 A CA 1.962 54.047 52.037 0.081 0.000 0.628 301 A CB -0.916 18.111 19.000 0.045 0.000 0.814 301 A HN 0.566 nan 8.150 nan 0.000 0.444 302 S N -0.139 115.596 115.700 0.058 0.000 2.368 302 S HA -0.003 4.467 4.470 0.000 0.000 0.224 302 S C 2.321 176.968 174.600 0.079 0.000 1.029 302 S CA 1.064 59.297 58.200 0.055 0.000 0.988 302 S CB -0.465 62.755 63.200 0.033 0.000 0.838 302 S HN 0.804 nan 8.310 nan 0.000 0.462 303 A N 0.789 123.662 122.820 0.088 0.000 1.883 303 A HA -0.168 4.152 4.320 0.000 0.000 0.217 303 A C 2.007 179.675 177.584 0.140 0.000 1.186 303 A CA 1.799 53.896 52.037 0.100 0.000 0.624 303 A CB -1.023 18.033 19.000 0.093 0.000 0.822 303 A HN 0.568 nan 8.150 nan 0.000 0.444 304 Y N 0.591 120.925 120.300 0.056 0.000 2.242 304 Y HA -0.001 4.549 4.550 0.000 0.000 0.291 304 Y C 2.645 178.594 175.900 0.082 0.000 1.137 304 Y CA 0.843 58.984 58.100 0.069 0.000 1.181 304 Y CB -0.683 37.812 38.460 0.058 0.000 0.989 304 Y HN 0.310 nan 8.280 nan 0.000 0.527 305 A N 0.582 123.378 122.820 -0.041 0.000 1.908 305 A HA -0.223 4.097 4.320 0.000 0.000 0.218 305 A C 2.356 179.899 177.584 -0.068 0.000 1.181 305 A CA 1.986 53.969 52.037 -0.089 0.000 0.627 305 A CB -0.591 18.428 19.000 0.031 0.000 0.818 305 A HN 0.533 nan 8.150 nan 0.000 0.445 306 R N -0.605 119.898 120.500 0.005 0.000 2.062 306 R HA -0.042 4.298 4.340 0.000 0.000 0.229 306 R C 2.585 178.892 176.300 0.012 0.000 1.128 306 R CA 1.413 57.551 56.100 0.063 0.000 0.960 306 R CB -0.403 29.949 30.300 0.087 0.000 0.855 306 R HN 0.497 nan 8.270 nan 0.000 0.432 307 S N 0.589 116.268 115.700 -0.035 0.000 2.374 307 S HA -0.181 4.289 4.470 0.000 0.000 0.227 307 S C 1.834 176.385 174.600 -0.082 0.000 1.037 307 S CA 1.272 59.460 58.200 -0.021 0.000 1.024 307 S CB -0.192 63.047 63.200 0.065 0.000 0.861 307 S HN 0.299 nan 8.310 nan 0.000 0.456 308 R N 0.585 120.907 120.500 -0.297 0.000 2.276 308 R HA 0.019 4.359 4.340 0.000 0.000 0.203 308 R C 2.084 178.362 176.300 -0.036 0.000 1.017 308 R CA 0.688 56.646 56.100 -0.236 0.000 1.010 308 R CB -0.296 29.690 30.300 -0.523 0.000 0.900 308 R HN 0.433 nan 8.270 nan 0.000 0.469 309 G N -0.366 108.449 108.800 0.025 0.000 2.551 309 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 309 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 309 G C 1.345 176.423 174.900 0.296 0.000 1.137 309 G CA 0.492 45.698 45.100 0.177 0.000 0.798 309 G HN 0.366 nan 8.290 nan 0.000 0.536 310 A N 0.168 123.099 122.820 0.184 0.000 1.849 310 A HA -0.032 4.288 4.320 0.000 0.000 0.217 310 A C 1.169 178.895 177.584 0.236 0.000 1.202 310 A CA 1.617 53.749 52.037 0.159 0.000 0.629 310 A CB -0.168 18.852 19.000 0.033 0.000 0.834 310 A HN 0.278 nan 8.150 nan 0.000 0.447 311 D N -2.004 118.497 120.400 0.170 0.000 2.402 311 D HA 0.291 4.931 4.640 0.000 0.000 0.252 311 D C 0.664 177.058 176.300 0.157 0.000 1.294 311 D CA -0.480 53.620 54.000 0.167 0.000 0.948 311 D CB 0.637 41.519 40.800 0.136 0.000 1.202 311 D HN 0.076 nan 8.370 nan 0.000 0.561 312 R N 2.390 122.987 120.500 0.163 0.000 2.105 312 R HA -0.131 4.209 4.340 0.000 0.000 0.239 312 R C 1.868 178.283 176.300 0.191 0.000 1.135 312 R CA 0.871 57.069 56.100 0.163 0.000 0.967 312 R CB -0.206 30.184 30.300 0.151 0.000 0.861 312 R HN 0.516 nan 8.270 nan 0.000 0.442 313 M N 0.374 120.068 119.600 0.156 0.000 2.175 313 M HA -0.108 4.372 4.480 0.000 0.000 0.264 313 M C 1.887 178.293 176.300 0.176 0.000 1.063 313 M CA 1.545 56.925 55.300 0.134 0.000 1.119 313 M CB 0.138 32.784 32.600 0.076 0.000 1.377 313 M HN -0.001 nan 8.290 nan 0.000 0.415 314 S N -0.428 115.371 115.700 0.164 0.000 2.428 314 S HA -0.052 4.418 4.470 0.000 0.000 0.230 314 S C 1.782 176.505 174.600 0.204 0.000 1.014 314 S CA 1.277 59.580 58.200 0.171 0.000 0.957 314 S CB -0.090 63.191 63.200 0.135 0.000 0.784 314 S HN 0.455 nan 8.310 nan 0.000 0.499 315 S N 0.776 116.602 115.700 0.209 0.000 2.496 315 S HA 0.200 4.670 4.470 0.000 0.000 0.224 315 S C 0.383 175.133 174.600 0.250 0.000 0.996 315 S CA -0.228 58.101 58.200 0.214 0.000 0.927 315 S CB -0.213 63.086 63.200 0.165 0.000 0.774 315 S HN 0.529 nan 8.310 nan 0.000 0.524 316 F N 3.046 123.066 119.950 0.115 0.000 2.519 316 F HA 0.376 4.903 4.527 -0.000 0.000 0.381 316 F C 1.253 177.121 175.800 0.113 0.000 1.076 316 F CA 0.393 58.456 58.000 0.106 0.000 1.095 316 F CB -0.579 38.474 39.000 0.089 0.000 1.046 316 F HN 0.242 nan 8.300 nan 0.000 0.559 317 G N 3.725 112.511 108.800 -0.024 0.000 2.132 317 G HA2 -0.251 3.709 3.960 0.000 0.000 0.228 317 G HA3 -0.251 3.709 3.960 0.000 0.000 0.228 317 G C -0.213 174.772 174.900 0.142 0.000 1.000 317 G CA -0.042 45.094 45.100 0.061 0.000 0.693 317 G HN 0.930 nan 8.290 nan 0.000 0.515 318 D N -0.512 119.988 120.400 0.166 0.000 2.371 318 D HA 0.507 5.147 4.640 0.000 0.000 0.242 318 D C -0.092 176.350 176.300 0.237 0.000 1.218 318 D CA -0.653 53.487 54.000 0.234 0.000 0.945 318 D CB 0.851 41.816 40.800 0.274 0.000 1.137 318 D HN 0.134 nan 8.370 nan 0.000 0.464 319 F N -0.252 119.804 119.950 0.177 0.000 2.458 319 F HA 0.455 4.982 4.527 -0.000 0.000 0.336 319 F C -0.474 175.416 175.800 0.150 0.000 1.114 319 F CA -1.119 56.949 58.000 0.113 0.000 0.987 319 F CB 0.941 39.979 39.000 0.064 0.000 1.130 319 F HN 0.211 nan 8.300 nan 0.000 0.458 320 I N 5.168 125.730 120.570 -0.013 0.000 2.385 320 I HA 0.594 4.764 4.170 0.000 0.000 0.294 320 I C -0.279 175.929 176.117 0.152 0.000 0.988 320 I CA -0.764 60.579 61.300 0.072 0.000 1.265 320 I CB 1.499 39.380 38.000 -0.197 0.000 1.388 320 I HN 0.697 nan 8.210 nan 0.000 0.480 321 A N 7.599 130.523 122.820 0.172 0.000 2.342 321 A HA 0.883 5.203 4.320 0.000 0.000 0.323 321 A C -0.910 176.747 177.584 0.121 0.000 1.125 321 A CA -0.500 51.636 52.037 0.165 0.000 0.785 321 A CB 1.018 20.075 19.000 0.094 0.000 1.221 321 A HN 0.678 nan 8.150 nan 0.000 0.463 322 L N 2.232 123.535 121.223 0.133 0.000 2.410 322 L HA 0.357 4.697 4.340 0.000 0.000 0.270 322 L C 1.300 178.246 176.870 0.127 0.000 0.983 322 L CA -0.500 54.384 54.840 0.073 0.000 0.822 322 L CB 2.404 44.452 42.059 -0.018 0.000 1.285 322 L HN 0.914 nan 8.230 nan 0.000 0.409 323 S N -0.486 115.233 115.700 0.032 0.000 2.489 323 S HA 0.091 4.561 4.470 0.000 0.000 0.228 323 S C 0.338 174.975 174.600 0.061 0.000 0.995 323 S CA 0.243 58.429 58.200 -0.023 0.000 0.934 323 S CB 0.029 63.164 63.200 -0.109 0.000 0.771 323 S HN 0.639 nan 8.310 nan 0.000 0.522 324 D N 0.103 120.524 120.400 0.035 0.000 2.566 324 D HA 0.447 5.087 4.640 0.000 0.000 0.254 324 D C -0.756 175.511 176.300 -0.056 0.000 1.090 324 D CA -0.866 53.140 54.000 0.011 0.000 1.034 324 D CB 1.321 42.120 40.800 -0.002 0.000 1.434 324 D HN 0.039 nan 8.370 nan 0.000 0.509 325 I N 1.229 121.759 120.570 -0.066 0.000 2.828 325 I HA -0.122 4.048 4.170 0.000 0.000 0.292 325 I C 1.009 177.039 176.117 -0.145 0.000 1.206 325 I CA 0.218 61.441 61.300 -0.128 0.000 1.420 325 I CB -0.311 37.650 38.000 -0.066 0.000 1.368 325 I HN 0.243 nan 8.210 nan 0.000 0.556 326 C N 7.843 126.982 119.300 -0.269 0.000 2.648 326 C HA 0.204 4.664 4.460 0.000 0.000 0.415 326 C C 0.424 175.381 174.990 -0.055 0.000 1.366 326 C CA -0.463 58.448 59.018 -0.179 0.000 1.756 326 C CB -1.488 26.100 27.740 -0.253 0.000 2.549 326 C HN 0.922 nan 8.230 nan 0.000 0.597 327 D N 3.777 124.162 120.400 -0.025 0.000 2.487 327 D HA 0.343 4.983 4.640 0.000 0.000 0.262 327 D C 0.798 177.105 176.300 0.011 0.000 1.130 327 D CA -0.766 53.233 54.000 -0.002 0.000 1.038 327 D CB 0.584 41.382 40.800 -0.004 0.000 1.142 327 D HN 0.225 nan 8.370 nan 0.000 0.575 328 V N 0.240 120.161 119.914 0.010 0.000 2.358 328 V HA -0.078 4.042 4.120 0.000 0.000 0.246 328 V C -0.856 175.242 176.094 0.007 0.000 1.047 328 V CA 1.700 64.006 62.300 0.010 0.000 1.035 328 V CB -1.570 30.256 31.823 0.005 0.000 0.658 328 V HN 0.651 nan 8.190 nan 0.000 0.452 329 P HA -0.136 nan 4.420 nan 0.000 0.216 329 P C 1.694 179.008 177.300 0.024 0.000 1.153 329 P CA 1.697 64.803 63.100 0.010 0.000 0.848 329 P CB -0.200 31.503 31.700 0.004 0.000 0.787 330 T N 0.372 114.941 114.554 0.025 0.000 2.708 330 T HA -0.078 4.272 4.350 0.000 0.000 0.266 330 T C 2.112 176.820 174.700 0.013 0.000 1.037 330 T CA 1.808 63.929 62.100 0.036 0.000 1.146 330 T CB -0.952 67.924 68.868 0.013 0.000 0.865 330 T HN 0.076 nan 8.240 nan 0.000 0.435 331 A N 1.889 124.711 122.820 0.005 0.000 1.917 331 A HA -0.193 4.127 4.320 0.000 0.000 0.219 331 A C 2.251 179.822 177.584 -0.022 0.000 1.182 331 A CA 1.793 53.827 52.037 -0.005 0.000 0.633 331 A CB -0.514 18.496 19.000 0.017 0.000 0.819 331 A HN 0.472 nan 8.150 nan 0.000 0.448 332 K N -0.586 119.810 120.400 -0.007 0.000 2.063 332 K HA -0.092 4.228 4.320 0.000 0.000 0.208 332 K C 1.848 178.448 176.600 -0.001 0.000 1.048 332 K CA 1.515 57.795 56.287 -0.011 0.000 0.928 332 K CB -0.401 32.097 32.500 -0.003 0.000 0.713 332 K HN 0.565 nan 8.250 nan 0.000 0.442 333 I N 1.046 121.637 120.570 0.035 0.000 2.127 333 I HA -0.319 3.851 4.170 0.000 0.000 0.241 333 I C 2.317 178.481 176.117 0.077 0.000 1.075 333 I CA 1.420 62.770 61.300 0.083 0.000 1.334 333 I CB -0.311 37.796 38.000 0.179 0.000 1.040 333 I HN 0.116 nan 8.210 nan 0.000 0.405 334 I N 0.082 120.675 120.570 0.038 0.000 2.208 334 I HA -0.356 3.814 4.170 0.000 0.000 0.245 334 I C 2.801 178.836 176.117 -0.137 0.000 1.097 334 I CA 1.587 62.858 61.300 -0.049 0.000 1.363 334 I CB -0.405 37.492 38.000 -0.171 0.000 1.051 334 I HN 0.260 nan 8.210 nan 0.000 0.413 335 S N 1.406 117.021 115.700 -0.141 0.000 2.392 335 S HA -0.241 4.229 4.470 0.000 0.000 0.232 335 S C 1.975 176.493 174.600 -0.136 0.000 1.041 335 S CA 1.776 59.874 58.200 -0.170 0.000 1.026 335 S CB -0.287 62.845 63.200 -0.114 0.000 0.845 335 S HN 0.544 nan 8.310 nan 0.000 0.465 336 R N -0.208 120.244 120.500 -0.081 0.000 2.359 336 R HA 0.323 4.663 4.340 0.000 0.000 0.231 336 R C -0.200 176.064 176.300 -0.060 0.000 0.913 336 R CA -0.158 55.903 56.100 -0.064 0.000 1.075 336 R CB 0.083 30.361 30.300 -0.036 0.000 1.087 336 R HN 0.285 nan 8.270 nan 0.000 0.515 337 E N 1.261 121.420 120.200 -0.069 0.000 2.235 337 E HA 0.263 4.613 4.350 0.000 0.000 0.265 337 E C -0.734 175.772 176.600 -0.156 0.000 0.940 337 E CA -1.104 55.257 56.400 -0.065 0.000 0.819 337 E CB 2.677 32.395 29.700 0.030 0.000 1.206 337 E HN -0.139 nan 8.360 nan 0.000 0.409 338 V N 1.839 121.597 119.914 -0.260 0.000 2.356 338 V HA 0.218 4.338 4.120 0.000 0.000 0.258 338 V C 0.371 176.282 176.094 -0.305 0.000 1.065 338 V CA 0.024 62.072 62.300 -0.419 0.000 0.935 338 V CB 0.579 31.808 31.823 -0.990 0.000 1.061 338 V HN 0.493 nan 8.190 nan 0.000 0.484 339 S N 2.523 118.142 115.700 -0.136 0.000 2.632 339 S HA 0.518 4.988 4.470 0.000 0.000 0.289 339 S C 0.163 174.865 174.600 0.169 0.000 1.115 339 S CA -0.614 57.603 58.200 0.030 0.000 0.889 339 S CB 2.171 65.423 63.200 0.086 0.000 1.116 339 S HN 0.689 nan 8.310 nan 0.000 0.486 340 D N 0.686 121.158 120.400 0.120 0.000 2.392 340 D HA 0.372 5.012 4.640 0.000 0.000 0.206 340 D C 0.596 176.695 176.300 -0.334 0.000 1.046 340 D CA 0.906 54.933 54.000 0.045 0.000 0.865 340 D CB 0.962 41.815 40.800 0.088 0.000 0.969 340 D HN 0.730 nan 8.370 nan 0.000 0.509 341 G N -0.552 107.815 108.800 -0.720 0.000 2.328 341 G HA2 0.419 4.379 3.960 0.000 0.000 0.295 341 G HA3 0.419 4.379 3.960 0.000 0.000 0.295 341 G C -2.098 171.870 174.900 -1.554 0.000 1.413 341 G CA -0.259 43.925 45.100 -1.528 0.000 0.817 341 G HN 0.088 nan 8.290 nan 0.000 0.546 342 V N -0.927 118.285 119.914 -1.170 0.000 3.012 342 V HA 0.853 4.973 4.120 0.000 0.000 0.307 342 V C -1.380 174.675 176.094 -0.065 0.000 1.166 342 V CA -0.566 61.434 62.300 -0.500 0.000 0.974 342 V CB 1.832 33.581 31.823 -0.123 0.000 1.040 342 V HN 1.762 nan 8.190 nan 0.000 0.428 343 V N 5.713 125.728 119.914 0.168 0.000 2.656 343 V HA 1.045 5.165 4.120 0.000 0.000 0.307 343 V C -0.165 175.996 176.094 0.113 0.000 1.051 343 V CA 0.488 62.905 62.300 0.194 0.000 0.893 343 V CB 1.411 33.366 31.823 0.220 0.000 0.999 343 V HN 2.019 nan 8.190 nan 0.000 0.426 344 A N 6.868 129.688 122.820 -0.000 0.000 2.610 344 A HA 0.871 5.191 4.320 0.000 0.000 0.291 344 A C -2.695 174.765 177.584 -0.206 0.000 1.086 344 A CA -0.771 51.185 52.037 -0.135 0.000 0.677 344 A CB 1.801 20.492 19.000 -0.515 0.000 1.278 344 A HN 0.552 nan 8.150 nan 0.000 0.414 345 P HA 0.175 nan 4.420 nan 0.000 0.229 345 P C 0.719 177.956 177.300 -0.105 0.000 1.160 345 P CA 1.647 64.674 63.100 -0.121 0.000 0.777 345 P CB 0.446 32.172 31.700 0.043 0.000 0.814 346 G N -1.516 107.164 108.800 -0.200 0.000 2.356 346 G HA2 0.464 4.424 3.960 0.000 0.000 0.294 346 G HA3 0.464 4.424 3.960 0.000 0.000 0.294 346 G C -2.361 172.323 174.900 -0.361 0.000 1.423 346 G CA -0.643 44.390 45.100 -0.111 0.000 0.806 346 G HN -0.112 nan 8.290 nan 0.000 0.527 347 Y N 0.055 120.344 120.300 -0.019 0.000 2.492 347 Y HA 0.485 5.035 4.550 0.000 0.000 0.346 347 Y C 0.308 176.200 175.900 -0.013 0.000 0.997 347 Y CA -1.022 57.069 58.100 -0.016 0.000 1.025 347 Y CB 1.973 40.420 38.460 -0.022 0.000 1.263 347 Y HN 0.538 nan 8.280 nan 0.000 0.454 348 E N 1.697 121.969 120.200 0.120 0.000 2.373 348 E HA 0.019 4.369 4.350 0.000 0.000 0.267 348 E C 0.486 177.132 176.600 0.078 0.000 1.032 348 E CA -0.223 56.218 56.400 0.070 0.000 0.889 348 E CB 1.102 30.826 29.700 0.039 0.000 0.984 348 E HN 0.802 nan 8.360 nan 0.000 0.425 349 E N 1.745 121.973 120.200 0.047 0.000 2.171 349 E HA -0.257 4.093 4.350 0.000 0.000 0.197 349 E C 1.247 177.860 176.600 0.022 0.000 0.997 349 E CA 1.122 57.540 56.400 0.029 0.000 0.810 349 E CB 0.295 30.003 29.700 0.015 0.000 0.738 349 E HN 0.380 nan 8.360 nan 0.000 0.467 350 E N -0.205 120.009 120.200 0.024 0.000 2.051 350 E HA -0.082 4.268 4.350 0.000 0.000 0.189 350 E C 1.920 178.533 176.600 0.022 0.000 0.979 350 E CA 0.931 57.340 56.400 0.015 0.000 0.803 350 E CB -0.334 29.372 29.700 0.011 0.000 0.761 350 E HN 0.310 nan 8.360 nan 0.000 0.451 351 A N 1.248 124.095 122.820 0.045 0.000 1.908 351 A HA -0.175 4.145 4.320 0.000 0.000 0.218 351 A C 2.238 179.865 177.584 0.071 0.000 1.181 351 A CA 1.394 53.471 52.037 0.066 0.000 0.627 351 A CB -0.619 18.443 19.000 0.103 0.000 0.818 351 A HN 0.261 nan 8.150 nan 0.000 0.445 352 L N -0.316 120.947 121.223 0.067 0.000 2.141 352 L HA -0.065 4.275 4.340 0.000 0.000 0.209 352 L C 2.177 179.022 176.870 -0.041 0.000 1.094 352 L CA 2.446 57.273 54.840 -0.021 0.000 0.763 352 L CB -0.427 41.606 42.059 -0.044 0.000 0.908 352 L HN 0.449 nan 8.230 nan 0.000 0.437 353 K N -0.683 119.706 120.400 -0.019 0.000 2.155 353 K HA -0.064 4.256 4.320 0.000 0.000 0.203 353 K C 1.983 178.565 176.600 -0.030 0.000 1.052 353 K CA 1.252 57.523 56.287 -0.026 0.000 0.948 353 K CB -0.063 32.427 32.500 -0.017 0.000 0.728 353 K HN 0.407 nan 8.250 nan 0.000 0.448 354 I N 0.808 121.363 120.570 -0.026 0.000 2.235 354 I HA -0.246 3.924 4.170 0.000 0.000 0.241 354 I C 1.996 178.073 176.117 -0.067 0.000 1.085 354 I CA 0.860 62.135 61.300 -0.041 0.000 1.378 354 I CB -0.156 37.825 38.000 -0.031 0.000 1.076 354 I HN 0.103 nan 8.210 nan 0.000 0.415 355 L N -0.061 121.132 121.223 -0.050 0.000 2.017 355 L HA -0.192 4.148 4.340 0.000 0.000 0.208 355 L C 2.490 179.346 176.870 -0.022 0.000 1.073 355 L CA 1.204 56.008 54.840 -0.059 0.000 0.745 355 L CB -0.750 41.338 42.059 0.048 0.000 0.894 355 L HN 0.132 nan 8.230 nan 0.000 0.432 356 S N -0.574 115.114 115.700 -0.019 0.000 2.528 356 S HA -0.121 4.349 4.470 0.000 0.000 0.244 356 S C 1.774 176.364 174.600 -0.017 0.000 0.982 356 S CA 0.983 59.176 58.200 -0.012 0.000 0.953 356 S CB -0.168 63.005 63.200 -0.045 0.000 0.754 356 S HN 0.355 nan 8.310 nan 0.000 0.529 357 K N 0.787 121.160 120.400 -0.045 0.000 2.323 357 K HA 0.114 4.434 4.320 0.000 0.000 0.197 357 K C 0.254 176.815 176.600 -0.065 0.000 1.043 357 K CA 0.232 56.489 56.287 -0.050 0.000 0.997 357 K CB 0.180 32.646 32.500 -0.057 0.000 0.807 357 K HN 0.280 nan 8.250 nan 0.000 0.497 358 K N 1.859 122.184 120.400 -0.125 0.000 2.524 358 K HA -0.053 4.267 4.320 0.000 0.000 0.279 358 K C -0.270 176.304 176.600 -0.044 0.000 0.993 358 K CA 0.674 56.851 56.287 -0.183 0.000 1.030 358 K CB 0.224 32.400 32.500 -0.541 0.000 0.891 358 K HN 0.044 nan 8.250 nan 0.000 0.488 359 K N 2.284 122.659 120.400 -0.041 0.000 3.244 359 K HA -0.269 4.051 4.320 0.000 0.000 0.270 359 K C -0.586 176.022 176.600 0.012 0.000 1.016 359 K CA 0.551 56.843 56.287 0.009 0.000 0.754 359 K CB -1.596 30.943 32.500 0.064 0.000 1.326 359 K HN 0.869 nan 8.250 nan 0.000 0.465 360 N N -0.788 117.908 118.700 -0.006 0.000 2.696 360 N HA -0.257 4.483 4.740 0.000 0.000 0.249 360 N C 0.752 176.262 175.510 -0.000 0.000 1.090 360 N CA 2.206 55.254 53.050 -0.004 0.000 0.716 360 N CB -0.844 37.644 38.487 0.002 0.000 1.020 360 N HN 0.938 nan 8.380 nan 0.000 0.548 361 G N -3.375 105.427 108.800 0.003 0.000 2.176 361 G HA2 -0.184 3.776 3.960 0.000 0.000 0.232 361 G HA3 -0.184 3.776 3.960 0.000 0.000 0.232 361 G C 0.775 175.685 174.900 0.017 0.000 0.986 361 G CA 0.298 45.401 45.100 0.005 0.000 0.643 361 G HN 0.834 nan 8.290 nan 0.000 0.522 362 G N -0.660 108.160 108.800 0.033 0.000 3.088 362 G HA2 0.363 4.323 3.960 0.000 0.000 0.217 362 G HA3 0.363 4.323 3.960 0.000 0.000 0.217 362 G C 0.504 175.429 174.900 0.041 0.000 1.159 362 G CA 0.142 45.257 45.100 0.026 0.000 0.760 362 G HN 0.606 nan 8.290 nan 0.000 0.550 363 Y N 1.164 121.420 120.300 -0.073 0.000 2.802 363 Y HA 0.121 4.671 4.550 -0.000 0.000 0.333 363 Y C 0.852 176.685 175.900 -0.112 0.000 1.244 363 Y CA -1.301 56.739 58.100 -0.099 0.000 1.558 363 Y CB 0.080 38.471 38.460 -0.116 0.000 1.233 363 Y HN 0.050 nan 8.280 nan 0.000 0.547 364 C N 7.920 126.875 119.300 -0.575 0.000 2.624 364 C HA 0.520 4.980 4.460 0.000 0.000 0.397 364 C C -0.512 174.100 174.990 -0.631 0.000 1.331 364 C CA -0.578 58.168 59.018 -0.454 0.000 1.716 364 C CB -2.135 25.446 27.740 -0.265 0.000 2.452 364 C HN 0.595 nan 8.230 nan 0.000 0.586 365 V N 8.615 128.306 119.914 -0.372 0.000 2.443 365 V HA 0.493 4.613 4.120 0.000 0.000 0.293 365 V C -0.143 175.828 176.094 -0.205 0.000 1.021 365 V CA -0.340 61.758 62.300 -0.337 0.000 0.848 365 V CB 1.222 32.805 31.823 -0.399 0.000 0.998 365 V HN 0.762 nan 8.190 nan 0.000 0.424 366 L N 3.559 124.746 121.223 -0.061 0.000 2.319 366 L HA 0.735 5.075 4.340 0.000 0.000 0.267 366 L C -0.474 176.438 176.870 0.070 0.000 1.011 366 L CA -0.696 54.135 54.840 -0.016 0.000 0.818 366 L CB 2.075 44.138 42.059 0.006 0.000 1.316 366 L HN 0.609 nan 8.230 nan 0.000 0.432 367 Q N 1.971 121.764 119.800 -0.013 0.000 2.331 367 Q HA 0.598 4.938 4.340 0.000 0.000 0.267 367 Q C -1.306 174.572 176.000 -0.203 0.000 1.006 367 Q CA -0.735 55.052 55.803 -0.025 0.000 0.818 367 Q CB 2.171 30.917 28.738 0.013 0.000 1.276 367 Q HN 0.563 nan 8.270 nan 0.000 0.450 368 M N 3.269 122.649 119.600 -0.366 0.000 2.294 368 M HA 0.317 4.797 4.480 0.000 0.000 0.335 368 M C -1.419 174.590 176.300 -0.485 0.000 1.079 368 M CA -0.620 54.322 55.300 -0.597 0.000 0.982 368 M CB 1.640 33.515 32.600 -1.207 0.000 1.651 368 M HN 0.557 nan 8.290 nan 0.000 0.437 369 D N 6.328 126.531 120.400 -0.329 0.000 2.358 369 D HA 0.193 4.833 4.640 0.000 0.000 0.258 369 D C -1.683 174.587 176.300 -0.050 0.000 1.223 369 D CA -1.450 52.468 54.000 -0.137 0.000 0.886 369 D CB 1.119 41.887 40.800 -0.053 0.000 1.120 369 D HN 0.407 nan 8.370 nan 0.000 0.482 370 P HA -0.082 nan 4.420 nan 0.000 0.230 370 P C 0.290 177.727 177.300 0.227 0.000 1.158 370 P CA 0.562 63.817 63.100 0.259 0.000 0.769 370 P CB 0.492 32.330 31.700 0.230 0.000 0.807 371 N N -1.352 117.437 118.700 0.148 0.000 2.325 371 N HA -0.017 4.723 4.740 0.000 0.000 0.182 371 N C 0.487 176.072 175.510 0.126 0.000 1.088 371 N CA -0.198 52.922 53.050 0.116 0.000 0.879 371 N CB -0.429 38.102 38.487 0.074 0.000 0.983 371 N HN 0.240 nan 8.380 nan 0.000 0.471 372 Y N 2.498 122.822 120.300 0.040 0.000 2.597 372 Y HA 0.017 4.567 4.550 0.000 0.000 0.336 372 Y C -0.129 175.806 175.900 0.058 0.000 1.216 372 Y CA 0.304 58.420 58.100 0.027 0.000 1.463 372 Y CB 0.490 38.943 38.460 -0.011 0.000 1.303 372 Y HN -0.135 nan 8.280 nan 0.000 0.576 373 E N 7.710 127.472 120.200 -0.729 0.000 2.256 373 E HA 0.313 4.663 4.350 0.000 0.000 0.268 373 E C -2.661 173.431 176.600 -0.846 0.000 0.877 373 E CA -2.172 53.887 56.400 -0.568 0.000 0.757 373 E CB 1.640 31.190 29.700 -0.249 0.000 1.183 373 E HN 0.507 nan 8.360 nan 0.000 0.418 374 P HA 0.208 nan 4.420 nan 0.000 0.277 374 P C -0.381 176.837 177.300 -0.136 0.000 1.240 374 P CA -0.449 62.478 63.100 -0.287 0.000 0.798 374 P CB 1.079 32.754 31.700 -0.042 0.000 0.979 375 D N 1.427 121.794 120.400 -0.055 0.000 2.378 375 D HA -0.021 4.619 4.640 0.000 0.000 0.238 375 D C 0.994 177.288 176.300 -0.009 0.000 1.180 375 D CA 0.170 54.156 54.000 -0.023 0.000 0.895 375 D CB 0.401 41.208 40.800 0.012 0.000 1.192 375 D HN 0.328 nan 8.370 nan 0.000 0.438 376 D N -0.111 120.285 120.400 -0.007 0.000 2.117 376 D HA -0.082 4.558 4.640 0.000 0.000 0.197 376 D C 0.204 176.512 176.300 0.014 0.000 0.987 376 D CA 1.066 55.066 54.000 0.000 0.000 0.829 376 D CB 0.162 40.961 40.800 -0.003 0.000 0.961 376 D HN 0.291 nan 8.370 nan 0.000 0.460 377 N N 1.255 119.966 118.700 0.018 0.000 2.487 377 N HA 0.228 4.968 4.740 0.000 0.000 0.292 377 N C -0.386 175.146 175.510 0.035 0.000 1.108 377 N CA -0.143 52.923 53.050 0.026 0.000 0.956 377 N CB 1.524 40.025 38.487 0.023 0.000 1.176 377 N HN 0.260 nan 8.380 nan 0.000 0.484 378 E N 0.525 120.750 120.200 0.041 0.000 2.312 378 E HA 0.599 4.949 4.350 0.000 0.000 0.267 378 E C -0.845 175.783 176.600 0.047 0.000 0.894 378 E CA -0.891 55.538 56.400 0.047 0.000 0.773 378 E CB 2.570 32.304 29.700 0.057 0.000 1.241 378 E HN 0.314 nan 8.360 nan 0.000 0.432 379 I N 1.577 122.175 120.570 0.046 0.000 2.619 379 I HA 0.460 4.630 4.170 0.000 0.000 0.292 379 I C -1.418 174.730 176.117 0.052 0.000 1.100 379 I CA -0.703 60.627 61.300 0.049 0.000 1.043 379 I CB 1.856 39.885 38.000 0.048 0.000 1.239 379 I HN 0.882 nan 8.210 nan 0.000 0.420 380 R N 3.907 124.441 120.500 0.056 0.000 2.837 380 R HA 0.743 5.083 4.340 0.000 0.000 0.271 380 R C -1.473 174.864 176.300 0.062 0.000 0.993 380 R CA -0.702 55.435 56.100 0.062 0.000 0.931 380 R CB 1.703 32.042 30.300 0.065 0.000 1.206 380 R HN 0.523 nan 8.270 nan 0.000 0.474 381 T N 2.591 117.186 114.554 0.067 0.000 2.771 381 T HA 0.402 4.752 4.350 0.000 0.000 0.281 381 T C -1.067 173.675 174.700 0.070 0.000 0.982 381 T CA -0.625 61.513 62.100 0.064 0.000 0.978 381 T CB 1.038 69.943 68.868 0.061 0.000 0.930 381 T HN 0.377 nan 8.240 nan 0.000 0.447 382 L N 4.877 126.147 121.223 0.078 0.000 2.406 382 L HA 0.447 4.787 4.340 0.000 0.000 0.270 382 L C -0.576 176.400 176.870 0.176 0.000 0.982 382 L CA -0.838 54.064 54.840 0.103 0.000 0.843 382 L CB 0.349 42.455 42.059 0.078 0.000 1.225 382 L HN 0.730 nan 8.230 nan 0.000 0.412 383 Y N 5.524 125.828 120.300 0.006 0.000 3.389 383 Y HA -0.144 4.406 4.550 0.000 0.000 0.213 383 Y C 1.316 177.221 175.900 0.008 0.000 1.272 383 Y CA 1.509 59.611 58.100 0.004 0.000 1.444 383 Y CB -1.041 37.419 38.460 0.001 0.000 1.445 383 Y HN 1.132 nan 8.280 nan 0.000 0.583 384 G N -0.923 107.864 108.800 -0.022 0.000 2.245 384 G HA2 -0.324 3.636 3.960 0.000 0.000 0.264 384 G HA3 -0.324 3.636 3.960 0.000 0.000 0.264 384 G C 0.382 175.269 174.900 -0.022 0.000 0.985 384 G CA 0.351 45.411 45.100 -0.067 0.000 0.625 384 G HN 0.703 nan 8.290 nan 0.000 0.536 385 L N -0.580 120.653 121.223 0.017 0.000 2.431 385 L HA 0.779 5.119 4.340 0.000 0.000 0.260 385 L C 0.435 177.330 176.870 0.042 0.000 1.098 385 L CA -1.068 53.789 54.840 0.029 0.000 0.800 385 L CB 0.847 42.934 42.059 0.046 0.000 1.210 385 L HN 0.006 nan 8.230 nan 0.000 0.465 386 Q N 1.085 120.908 119.800 0.040 0.000 2.282 386 Q HA 0.636 4.976 4.340 0.000 0.000 0.260 386 Q C -1.240 174.786 176.000 0.044 0.000 0.964 386 Q CA -0.077 55.752 55.803 0.044 0.000 0.880 386 Q CB 2.193 30.955 28.738 0.041 0.000 1.286 386 Q HN 0.379 nan 8.270 nan 0.000 0.445 387 L N 2.591 123.842 121.223 0.047 0.000 2.343 387 L HA 0.572 4.912 4.340 0.000 0.000 0.278 387 L C -0.798 176.100 176.870 0.046 0.000 0.996 387 L CA -0.338 54.530 54.840 0.046 0.000 0.831 387 L CB 1.295 43.383 42.059 0.048 0.000 1.232 387 L HN 0.483 nan 8.230 nan 0.000 0.413 388 M N 4.713 124.338 119.600 0.042 0.000 2.436 388 M HA 0.522 5.002 4.480 0.000 0.000 0.331 388 M C -1.009 175.314 176.300 0.039 0.000 1.135 388 M CA -0.187 55.137 55.300 0.040 0.000 0.987 388 M CB 1.875 34.495 32.600 0.035 0.000 1.687 388 M HN 0.730 nan 8.290 nan 0.000 0.445 389 Q N 2.383 122.207 119.800 0.040 0.000 2.687 389 Q HA 0.472 4.812 4.340 0.000 0.000 0.295 389 Q C -1.746 174.276 176.000 0.036 0.000 0.920 389 Q CA -1.296 54.530 55.803 0.039 0.000 0.766 389 Q CB 1.314 30.081 28.738 0.048 0.000 1.467 389 Q HN 0.412 nan 8.270 nan 0.000 0.415 390 K N 1.818 122.236 120.400 0.030 0.000 2.249 390 K HA 0.249 4.569 4.320 0.000 0.000 0.280 390 K C 0.070 176.690 176.600 0.033 0.000 1.033 390 K CA -0.201 56.101 56.287 0.024 0.000 0.946 390 K CB 0.974 33.482 32.500 0.014 0.000 1.005 390 K HN 0.748 nan 8.250 nan 0.000 0.469 391 R N 1.342 121.863 120.500 0.035 0.000 2.738 391 R HA 0.115 4.455 4.340 0.000 0.000 0.275 391 R C 0.194 176.513 176.300 0.032 0.000 1.121 391 R CA -0.477 55.652 56.100 0.048 0.000 1.207 391 R CB 0.231 30.564 30.300 0.056 0.000 1.141 391 R HN 0.304 nan 8.270 nan 0.000 0.571 392 N N 0.891 119.611 118.700 0.033 0.000 2.439 392 N HA 0.041 4.781 4.740 0.000 0.000 0.243 392 N C -0.980 174.522 175.510 -0.014 0.000 1.088 392 N CA -0.177 52.868 53.050 -0.008 0.000 0.940 392 N CB 0.343 38.801 38.487 -0.049 0.000 1.180 392 N HN 0.521 nan 8.380 nan 0.000 0.505 393 N N 1.387 120.076 118.700 -0.017 0.000 2.238 393 N HA 0.088 4.828 4.740 0.000 0.000 0.222 393 N C -0.271 175.219 175.510 -0.035 0.000 1.133 393 N CA -0.193 52.848 53.050 -0.015 0.000 0.854 393 N CB 0.614 39.094 38.487 -0.012 0.000 1.041 393 N HN 0.496 nan 8.380 nan 0.000 0.510 394 A N 1.031 123.818 122.820 -0.056 0.000 2.520 394 A HA 0.223 4.543 4.320 0.000 0.000 0.245 394 A C 0.740 178.283 177.584 -0.069 0.000 1.072 394 A CA -0.239 51.756 52.037 -0.071 0.000 0.761 394 A CB 0.056 19.001 19.000 -0.092 0.000 1.004 394 A HN 0.097 nan 8.150 nan 0.000 0.499 395 V N 1.876 121.749 119.914 -0.069 0.000 2.406 395 V HA 0.559 4.679 4.120 0.000 0.000 0.272 395 V C -0.174 175.864 176.094 -0.094 0.000 1.043 395 V CA -0.655 61.605 62.300 -0.066 0.000 0.915 395 V CB 0.379 32.166 31.823 -0.059 0.000 0.988 395 V HN 0.525 nan 8.190 nan 0.000 0.466 396 I N 6.619 127.139 120.570 -0.083 0.000 2.337 396 I HA 0.580 4.750 4.170 0.000 0.000 0.291 396 I C 0.102 176.156 176.117 -0.105 0.000 1.046 396 I CA 0.803 62.036 61.300 -0.111 0.000 1.324 396 I CB 0.635 38.601 38.000 -0.057 0.000 1.409 396 I HN 1.105 nan 8.210 nan 0.000 0.494 397 D N 3.322 123.609 120.400 -0.189 0.000 2.768 397 D HA 0.250 4.890 4.640 0.000 0.000 0.327 397 D C 0.789 176.955 176.300 -0.224 0.000 1.302 397 D CA -0.962 52.960 54.000 -0.130 0.000 0.897 397 D CB 0.548 41.294 40.800 -0.091 0.000 1.420 397 D HN 0.232 nan 8.370 nan 0.000 0.494 398 R N 0.145 120.613 120.500 -0.053 0.000 2.119 398 R HA -0.236 4.104 4.340 0.000 0.000 0.246 398 R C 1.667 177.908 176.300 -0.097 0.000 1.146 398 R CA 2.719 58.837 56.100 0.031 0.000 0.962 398 R CB -0.637 29.702 30.300 0.064 0.000 0.863 398 R HN 0.509 nan 8.270 nan 0.000 0.442 399 S N 0.533 116.152 115.700 -0.136 0.000 2.419 399 S HA -0.171 4.299 4.470 0.000 0.000 0.235 399 S C 1.939 176.408 174.600 -0.218 0.000 1.019 399 S CA 1.199 59.321 58.200 -0.130 0.000 0.982 399 S CB -0.420 62.718 63.200 -0.104 0.000 0.789 399 S HN 0.433 nan 8.310 nan 0.000 0.490 400 L N 0.433 121.390 121.223 -0.442 0.000 2.191 400 L HA 0.193 4.533 4.340 0.000 0.000 0.212 400 L C 1.090 177.683 176.870 -0.461 0.000 1.103 400 L CA 1.489 56.004 54.840 -0.542 0.000 0.769 400 L CB -0.760 40.827 42.059 -0.787 0.000 0.908 400 L HN 0.386 nan 8.230 nan 0.000 0.438 401 F N -1.400 118.542 119.950 -0.013 0.000 2.660 401 F HA 0.228 4.755 4.527 0.000 0.000 0.302 401 F C 1.583 177.382 175.800 -0.001 0.000 1.103 401 F CA -0.344 57.653 58.000 -0.005 0.000 1.340 401 F CB -0.705 38.289 39.000 -0.010 0.000 1.048 401 F HN -0.112 nan 8.300 nan 0.000 0.551 402 K N 0.628 121.083 120.400 0.092 0.000 2.611 402 K HA -0.042 4.278 4.320 0.000 0.000 0.193 402 K C 0.176 176.810 176.600 0.055 0.000 1.026 402 K CA 0.299 56.624 56.287 0.064 0.000 1.063 402 K CB -0.512 32.001 32.500 0.021 0.000 0.839 402 K HN 0.169 nan 8.250 nan 0.000 0.505 403 N N 1.150 119.894 118.700 0.074 0.000 2.886 403 N HA 0.185 4.925 4.740 0.000 0.000 0.285 403 N C -0.996 174.556 175.510 0.070 0.000 1.706 403 N CA -0.232 52.855 53.050 0.061 0.000 0.904 403 N CB 0.136 38.657 38.487 0.056 0.000 1.224 403 N HN -0.005 nan 8.380 nan 0.000 0.488 404 I N 1.713 122.319 120.570 0.059 0.000 2.494 404 I HA -0.002 4.168 4.170 0.000 0.000 0.289 404 I C 1.360 177.485 176.117 0.013 0.000 1.106 404 I CA -0.297 61.027 61.300 0.041 0.000 1.369 404 I CB 0.883 38.908 38.000 0.042 0.000 1.410 404 I HN 0.224 nan 8.210 nan 0.000 0.523 405 V N 2.265 122.168 119.914 -0.018 0.000 3.421 405 V HA 0.138 4.258 4.120 0.000 0.000 0.316 405 V C 0.712 176.776 176.094 -0.049 0.000 1.347 405 V CA -0.079 62.201 62.300 -0.034 0.000 1.183 405 V CB -0.956 30.830 31.823 -0.062 0.000 1.092 405 V HN 0.739 nan 8.190 nan 0.000 0.433 406 T N -1.587 112.943 114.554 -0.040 0.000 2.923 406 T HA 0.466 4.816 4.350 0.000 0.000 0.281 406 T C 0.681 175.367 174.700 -0.022 0.000 0.995 406 T CA -0.575 61.501 62.100 -0.039 0.000 0.985 406 T CB 2.160 71.001 68.868 -0.045 0.000 1.114 406 T HN 0.196 nan 8.240 nan 0.000 0.548 407 K N 0.305 120.691 120.400 -0.023 0.000 2.007 407 K HA 0.008 4.328 4.320 0.000 0.000 0.206 407 K C 0.914 177.507 176.600 -0.011 0.000 1.047 407 K CA 0.668 56.946 56.287 -0.015 0.000 0.937 407 K CB -0.187 32.303 32.500 -0.016 0.000 0.718 407 K HN 0.497 nan 8.250 nan 0.000 0.438 408 N N 1.460 120.150 118.700 -0.016 0.000 2.470 408 N HA -0.006 4.734 4.740 0.000 0.000 0.268 408 N C -0.632 174.878 175.510 -0.000 0.000 1.136 408 N CA 0.099 53.142 53.050 -0.011 0.000 0.961 408 N CB 0.819 39.292 38.487 -0.023 0.000 1.067 408 N HN -0.188 nan 8.380 nan 0.000 0.468 409 K N 1.542 121.950 120.400 0.013 0.000 2.827 409 K HA 0.209 4.529 4.320 0.000 0.000 0.222 409 K C -0.575 176.056 176.600 0.052 0.000 1.114 409 K CA -0.138 56.167 56.287 0.030 0.000 1.206 409 K CB -0.203 32.313 32.500 0.027 0.000 1.035 409 K HN 0.509 nan 8.250 nan 0.000 0.464 410 T N 1.156 115.746 114.554 0.060 0.000 2.817 410 T HA 0.193 4.543 4.350 0.000 0.000 0.295 410 T C -0.383 174.453 174.700 0.227 0.000 0.958 410 T CA 0.131 62.296 62.100 0.109 0.000 1.157 410 T CB 0.262 69.182 68.868 0.087 0.000 0.898 410 T HN 0.060 nan 8.240 nan 0.000 0.536 411 L N 7.114 128.433 121.223 0.161 0.000 2.367 411 L HA 0.317 4.657 4.340 0.000 0.000 0.263 411 L C -2.390 174.422 176.870 -0.097 0.000 1.473 411 L CA -1.250 53.621 54.840 0.052 0.000 0.807 411 L CB 0.853 42.916 42.059 0.007 0.000 0.968 411 L HN 0.393 nan 8.230 nan 0.000 0.520 412 P HA 0.143 nan 4.420 nan 0.000 0.270 412 P C 0.437 177.618 177.300 -0.199 0.000 1.223 412 P CA -0.051 62.976 63.100 -0.123 0.000 0.785 412 P CB 1.039 32.693 31.700 -0.077 0.000 0.923 413 E N 0.826 120.953 120.200 -0.123 0.000 2.114 413 E HA -0.188 4.162 4.350 0.000 0.000 0.199 413 E C 1.984 178.489 176.600 -0.159 0.000 1.008 413 E CA 2.103 58.433 56.400 -0.115 0.000 0.810 413 E CB -0.781 28.882 29.700 -0.062 0.000 0.739 413 E HN 0.647 nan 8.360 nan 0.000 0.456 414 S N 0.808 116.415 115.700 -0.155 0.000 2.387 414 S HA -0.173 4.297 4.470 0.000 0.000 0.230 414 S C 2.185 176.623 174.600 -0.270 0.000 1.035 414 S CA 1.555 59.660 58.200 -0.158 0.000 1.014 414 S CB -0.262 62.869 63.200 -0.114 0.000 0.836 414 S HN 0.289 nan 8.310 nan 0.000 0.466 415 A N 1.051 123.587 122.820 -0.474 0.000 1.968 415 A HA 0.202 4.522 4.320 0.000 0.000 0.217 415 A C 2.399 179.641 177.584 -0.570 0.000 1.169 415 A CA 1.213 52.785 52.037 -0.775 0.000 0.638 415 A CB -0.891 17.079 19.000 -1.718 0.000 0.812 415 A HN 0.456 nan 8.150 nan 0.000 0.446 416 V N 0.356 120.011 119.914 -0.431 0.000 2.295 416 V HA -0.253 3.867 4.120 0.000 0.000 0.246 416 V C 2.695 178.659 176.094 -0.217 0.000 1.049 416 V CA 2.291 64.375 62.300 -0.360 0.000 1.024 416 V CB -0.758 30.975 31.823 -0.150 0.000 0.648 416 V HN 0.684 nan 8.190 nan 0.000 0.447 417 R N 0.005 120.420 120.500 -0.142 0.000 2.073 417 R HA -0.197 4.143 4.340 0.000 0.000 0.234 417 R C 2.025 178.277 176.300 -0.079 0.000 1.134 417 R CA 2.215 58.275 56.100 -0.068 0.000 0.952 417 R CB -0.486 29.781 30.300 -0.055 0.000 0.850 417 R HN 0.472 nan 8.270 nan 0.000 0.433 418 D N 0.749 121.067 120.400 -0.137 0.000 2.123 418 D HA -0.149 4.491 4.640 0.000 0.000 0.196 418 D C 2.026 178.263 176.300 -0.104 0.000 0.992 418 D CA 1.095 55.026 54.000 -0.114 0.000 0.833 418 D CB -0.171 40.546 40.800 -0.139 0.000 0.954 418 D HN 0.243 nan 8.370 nan 0.000 0.455 419 L N 0.232 121.337 121.223 -0.196 0.000 2.017 419 L HA -0.143 4.197 4.340 0.000 0.000 0.208 419 L C 2.489 179.388 176.870 0.049 0.000 1.073 419 L CA 0.759 55.490 54.840 -0.180 0.000 0.745 419 L CB -0.323 41.358 42.059 -0.630 0.000 0.894 419 L HN 0.065 nan 8.230 nan 0.000 0.432 420 I N -0.898 119.751 120.570 0.132 0.000 2.163 420 I HA -0.302 3.868 4.170 0.000 0.000 0.243 420 I C 2.506 178.684 176.117 0.102 0.000 1.085 420 I CA 1.236 62.667 61.300 0.218 0.000 1.347 420 I CB -0.354 37.755 38.000 0.180 0.000 1.044 420 I HN 0.035 nan 8.210 nan 0.000 0.408 421 V N 1.124 121.070 119.914 0.052 0.000 2.287 421 V HA -0.341 3.779 4.120 0.000 0.000 0.248 421 V C 2.743 178.865 176.094 0.046 0.000 1.053 421 V CA 2.166 64.490 62.300 0.040 0.000 1.027 421 V CB -1.037 30.795 31.823 0.014 0.000 0.646 421 V HN 0.526 nan 8.190 nan 0.000 0.447 422 A N -0.560 122.279 122.820 0.032 0.000 1.940 422 A HA -0.220 4.100 4.320 0.000 0.000 0.219 422 A C 2.464 180.073 177.584 0.041 0.000 1.176 422 A CA 2.406 54.460 52.037 0.030 0.000 0.631 422 A CB -0.647 18.359 19.000 0.010 0.000 0.814 422 A HN 0.537 nan 8.150 nan 0.000 0.446 423 S N -0.294 115.444 115.700 0.064 0.000 2.371 423 S HA -0.013 4.457 4.470 0.000 0.000 0.224 423 S C 1.786 176.403 174.600 0.027 0.000 1.029 423 S CA 1.256 59.487 58.200 0.051 0.000 0.978 423 S CB -0.406 62.852 63.200 0.097 0.000 0.833 423 S HN 0.542 nan 8.310 nan 0.000 0.466 424 I N 1.735 122.340 120.570 0.058 0.000 2.394 424 I HA -0.163 4.007 4.170 0.000 0.000 0.251 424 I C 2.658 178.868 176.117 0.155 0.000 1.136 424 I CA 0.898 62.253 61.300 0.091 0.000 1.425 424 I CB -0.507 37.557 38.000 0.108 0.000 1.079 424 I HN 0.256 nan 8.210 nan 0.000 0.425 425 A N 1.066 123.957 122.820 0.119 0.000 1.877 425 A HA -0.175 4.145 4.320 0.000 0.000 0.216 425 A C 2.447 180.093 177.584 0.102 0.000 1.186 425 A CA 2.095 54.214 52.037 0.136 0.000 0.620 425 A CB -1.073 17.978 19.000 0.086 0.000 0.822 425 A HN 0.337 nan 8.150 nan 0.000 0.443 426 V N -1.197 118.742 119.914 0.042 0.000 2.343 426 V HA -0.263 3.857 4.120 0.000 0.000 0.247 426 V C 2.212 178.274 176.094 -0.052 0.000 1.051 426 V CA 2.540 64.846 62.300 0.010 0.000 1.036 426 V CB -1.108 30.712 31.823 -0.005 0.000 0.654 426 V HN 0.580 nan 8.190 nan 0.000 0.451 427 K N -0.340 119.972 120.400 -0.147 0.000 2.218 427 K HA -0.201 4.119 4.320 0.000 0.000 0.205 427 K C 1.131 177.303 176.600 -0.713 0.000 1.046 427 K CA 2.090 58.129 56.287 -0.414 0.000 0.933 427 K CB -0.233 31.941 32.500 -0.543 0.000 0.728 427 K HN 0.688 nan 8.250 nan 0.000 0.454 428 Y N 0.256 120.491 120.300 -0.108 0.000 2.751 428 Y HA 0.154 4.704 4.550 0.000 0.000 0.289 428 Y C -0.008 175.975 175.900 0.139 0.000 1.110 428 Y CA -0.336 57.697 58.100 -0.110 0.000 1.251 428 Y CB 0.915 39.425 38.460 0.083 0.000 1.178 428 Y HN -0.102 nan 8.280 nan 0.000 0.540 429 T N -0.460 114.214 114.554 0.201 0.000 2.829 429 T HA 0.307 4.657 4.350 0.000 0.000 0.280 429 T C -0.310 174.500 174.700 0.184 0.000 0.999 429 T CA -0.856 61.344 62.100 0.167 0.000 0.983 429 T CB 1.021 69.925 68.868 0.060 0.000 0.968 429 T HN -0.096 nan 8.240 nan 0.000 0.446 430 Q N 3.151 123.032 119.800 0.135 0.000 2.269 430 Q HA 0.175 4.515 4.340 0.000 0.000 0.300 430 Q C 0.448 176.442 176.000 -0.010 0.000 1.070 430 Q CA 0.430 56.259 55.803 0.043 0.000 0.957 430 Q CB 0.435 29.215 28.738 0.070 0.000 1.131 430 Q HN 0.761 nan 8.270 nan 0.000 0.377 431 S N 2.386 117.975 115.700 -0.185 0.000 2.584 431 S HA 0.105 4.575 4.470 0.000 0.000 0.270 431 S C 0.555 175.142 174.600 -0.021 0.000 1.346 431 S CA -0.621 57.462 58.200 -0.196 0.000 1.018 431 S CB 0.340 63.171 63.200 -0.616 0.000 0.899 431 S HN 0.703 nan 8.310 nan 0.000 0.542 432 N N 0.021 118.698 118.700 -0.038 0.000 2.408 432 N HA 0.538 5.278 4.740 0.000 0.000 0.260 432 N C -0.818 174.718 175.510 0.044 0.000 1.242 432 N CA -0.602 52.433 53.050 -0.025 0.000 0.959 432 N CB 0.710 39.210 38.487 0.022 0.000 1.201 432 N HN 0.537 nan 8.380 nan 0.000 0.511 433 S N -1.567 114.177 115.700 0.075 0.000 2.570 433 S HA 0.708 5.178 4.470 0.000 0.000 0.270 433 S C -1.344 173.294 174.600 0.063 0.000 1.149 433 S CA -0.898 57.345 58.200 0.071 0.000 0.837 433 S CB 1.069 64.303 63.200 0.057 0.000 1.124 433 S HN 0.486 nan 8.310 nan 0.000 0.465 434 V N 0.283 120.241 119.914 0.073 0.000 2.925 434 V HA 0.775 4.895 4.120 0.000 0.000 0.311 434 V C -0.907 175.220 176.094 0.054 0.000 1.104 434 V CA -0.639 61.691 62.300 0.051 0.000 0.954 434 V CB 1.750 33.630 31.823 0.095 0.000 1.022 434 V HN 1.279 nan 8.190 nan 0.000 0.427 435 C N 4.492 123.784 119.300 -0.013 0.000 2.551 435 C HA 0.728 5.188 4.460 0.000 0.000 0.332 435 C C -1.361 173.620 174.990 -0.015 0.000 1.139 435 C CA -0.639 58.403 59.018 0.040 0.000 1.328 435 C CB 0.536 28.299 27.740 0.039 0.000 1.903 435 C HN 0.793 nan 8.230 nan 0.000 0.459 436 Y N 3.846 124.149 120.300 0.005 0.000 2.328 436 Y HA 0.637 5.187 4.550 -0.000 0.000 0.337 436 Y C 0.627 176.478 175.900 -0.080 0.000 1.008 436 Y CA -0.061 58.027 58.100 -0.020 0.000 1.129 436 Y CB 1.433 39.879 38.460 -0.023 0.000 1.185 436 Y HN 0.919 nan 8.280 nan 0.000 0.476 437 A N 3.428 126.283 122.820 0.059 0.000 2.386 437 A HA 0.897 5.217 4.320 0.000 0.000 0.311 437 A C -1.202 176.342 177.584 -0.067 0.000 1.068 437 A CA -0.856 51.157 52.037 -0.039 0.000 0.743 437 A CB 1.745 20.727 19.000 -0.030 0.000 1.258 437 A HN 0.572 nan 8.150 nan 0.000 0.429 438 K N 1.334 121.653 120.400 -0.136 0.000 2.557 438 K HA 0.495 4.815 4.320 0.000 0.000 0.257 438 K C -1.344 175.222 176.600 -0.057 0.000 0.933 438 K CA -0.057 56.171 56.287 -0.100 0.000 0.820 438 K CB 0.985 33.401 32.500 -0.140 0.000 1.330 438 K HN 0.587 nan 8.250 nan 0.000 0.432 439 D N 3.318 123.725 120.400 0.011 0.000 2.800 439 D HA -0.150 4.490 4.640 0.000 0.000 0.232 439 D C 0.558 176.881 176.300 0.037 0.000 1.137 439 D CA 2.135 56.172 54.000 0.060 0.000 0.718 439 D CB -1.280 39.616 40.800 0.161 0.000 1.084 439 D HN 1.142 nan 8.370 nan 0.000 0.432 440 G N -0.153 108.647 108.800 -0.000 0.000 2.155 440 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 440 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 440 G C 0.142 175.041 174.900 -0.001 0.000 0.983 440 G CA 1.225 46.326 45.100 0.002 0.000 0.676 440 G HN 0.859 nan 8.290 nan 0.000 0.528 441 Q N -1.370 118.410 119.800 -0.034 0.000 2.456 441 Q HA 0.726 5.066 4.340 0.000 0.000 0.284 441 Q C -0.635 175.290 176.000 -0.125 0.000 1.061 441 Q CA -1.155 54.615 55.803 -0.056 0.000 0.799 441 Q CB 2.018 30.733 28.738 -0.039 0.000 1.445 441 Q HN 0.357 nan 8.270 nan 0.000 0.411 442 V N 3.372 123.228 119.914 -0.096 0.000 2.572 442 V HA 0.091 4.211 4.120 0.000 0.000 0.291 442 V C 0.908 176.853 176.094 -0.248 0.000 1.039 442 V CA 0.341 62.580 62.300 -0.103 0.000 1.055 442 V CB 0.437 32.243 31.823 -0.028 0.000 0.969 442 V HN 0.847 nan 8.190 nan 0.000 0.482 443 I N 1.691 122.079 120.570 -0.305 0.000 4.403 443 I HA 0.645 4.815 4.170 0.000 0.000 0.331 443 I C 0.719 176.720 176.117 -0.194 0.000 1.327 443 I CA 0.152 61.120 61.300 -0.553 0.000 1.175 443 I CB 0.972 38.377 38.000 -0.990 0.000 1.165 443 I HN 0.618 nan 8.210 nan 0.000 0.413 444 G N 2.392 111.167 108.800 -0.043 0.000 2.734 444 G HA2 0.636 4.596 3.960 0.000 0.000 0.293 444 G HA3 0.636 4.596 3.960 0.000 0.000 0.293 444 G C -1.858 173.142 174.900 0.167 0.000 1.422 444 G CA -0.321 44.807 45.100 0.047 0.000 1.177 444 G HN 0.159 nan 8.290 nan 0.000 0.565 445 I N 1.699 122.348 120.570 0.131 0.000 2.607 445 I HA 0.722 4.892 4.170 0.000 0.000 0.290 445 I C -0.034 176.153 176.117 0.117 0.000 1.129 445 I CA -0.874 60.501 61.300 0.126 0.000 1.042 445 I CB 2.150 40.190 38.000 0.067 0.000 1.242 445 I HN 0.678 nan 8.210 nan 0.000 0.421 446 G N 5.442 114.316 108.800 0.125 0.000 2.415 446 G HA2 0.807 4.767 3.960 0.000 0.000 0.327 446 G HA3 0.807 4.767 3.960 0.000 0.000 0.327 446 G C -1.365 173.584 174.900 0.082 0.000 1.182 446 G CA -0.411 44.755 45.100 0.110 0.000 0.924 446 G HN 0.817 nan 8.290 nan 0.000 0.470 447 A N 0.744 123.605 122.820 0.068 0.000 2.454 447 A HA 0.829 5.149 4.320 0.000 0.000 0.302 447 A C 0.902 178.518 177.584 0.052 0.000 1.079 447 A CA 0.153 52.223 52.037 0.055 0.000 0.731 447 A CB 1.301 20.328 19.000 0.045 0.000 1.299 447 A HN 2.485 nan 8.150 nan 0.000 0.413 448 G N 0.472 109.301 108.800 0.049 0.000 2.233 448 G HA2 -0.208 3.752 3.960 0.000 0.000 0.270 448 G HA3 -0.208 3.752 3.960 0.000 0.000 0.270 448 G C 0.202 175.129 174.900 0.044 0.000 1.011 448 G CA 0.802 45.932 45.100 0.050 0.000 0.762 448 G HN 0.782 nan 8.290 nan 0.000 0.511 449 Q N -0.924 118.909 119.800 0.055 0.000 2.318 449 Q HA 0.459 4.799 4.340 0.000 0.000 0.222 449 Q C 1.324 177.361 176.000 0.062 0.000 1.003 449 Q CA -0.105 55.742 55.803 0.074 0.000 0.936 449 Q CB 0.455 29.261 28.738 0.113 0.000 1.204 449 Q HN 0.630 nan 8.270 nan 0.000 0.524 450 Q N -0.279 119.575 119.800 0.091 0.000 2.194 450 Q HA 0.192 4.532 4.340 0.000 0.000 0.214 450 Q C -0.506 175.526 176.000 0.054 0.000 0.838 450 Q CA -0.110 55.729 55.803 0.060 0.000 0.972 450 Q CB 0.962 29.734 28.738 0.057 0.000 1.131 450 Q HN 0.563 nan 8.270 nan 0.000 0.498 451 S N -1.283 114.456 115.700 0.065 0.000 2.592 451 S HA 0.408 4.878 4.470 0.000 0.000 0.275 451 S C -0.105 174.525 174.600 0.051 0.000 1.169 451 S CA -0.846 57.347 58.200 -0.012 0.000 0.958 451 S CB 2.188 65.228 63.200 -0.266 0.000 1.095 451 S HN 0.067 nan 8.310 nan 0.000 0.471 452 R N 1.830 122.386 120.500 0.093 0.000 2.112 452 R HA -0.074 4.266 4.340 0.000 0.000 0.242 452 R C 1.907 178.317 176.300 0.183 0.000 1.137 452 R CA 2.380 58.579 56.100 0.166 0.000 0.944 452 R CB -1.185 29.256 30.300 0.234 0.000 0.857 452 R HN 0.837 nan 8.270 nan 0.000 0.435 453 I N 0.199 120.850 120.570 0.135 0.000 2.163 453 I HA -0.303 3.867 4.170 0.000 0.000 0.243 453 I C 1.859 178.079 176.117 0.171 0.000 1.085 453 I CA 1.965 63.337 61.300 0.119 0.000 1.347 453 I CB -0.454 37.572 38.000 0.044 0.000 1.044 453 I HN 0.371 nan 8.210 nan 0.000 0.408 454 H N -1.389 117.735 119.070 0.090 0.000 2.353 454 H HA -0.263 4.293 4.556 0.000 0.000 0.298 454 H C 2.512 177.895 175.328 0.091 0.000 1.103 454 H CA 1.464 57.557 56.048 0.074 0.000 1.293 454 H CB -0.322 29.474 29.762 0.058 0.000 1.372 454 H HN 0.540 nan 8.280 nan 0.000 0.501 455 C N 0.494 119.939 119.300 0.243 0.000 2.453 455 C HA -0.144 4.316 4.460 0.000 0.000 0.277 455 C C 2.843 177.958 174.990 0.208 0.000 1.262 455 C CA 1.706 60.838 59.018 0.190 0.000 1.718 455 C CB -0.934 26.904 27.740 0.163 0.000 2.031 455 C HN 0.567 nan 8.230 nan 0.000 0.480 456 T N 0.001 114.690 114.554 0.224 0.000 2.759 456 T HA -0.166 4.184 4.350 0.000 0.000 0.269 456 T C 1.970 176.834 174.700 0.274 0.000 1.042 456 T CA 1.481 63.734 62.100 0.254 0.000 1.140 456 T CB -0.288 68.709 68.868 0.214 0.000 0.864 456 T HN 0.591 nan 8.240 nan 0.000 0.455 457 R N -0.132 120.489 120.500 0.203 0.000 2.093 457 R HA 0.127 4.467 4.340 0.000 0.000 0.224 457 R C 2.285 178.663 176.300 0.129 0.000 1.101 457 R CA 0.495 56.688 56.100 0.156 0.000 0.979 457 R CB -0.377 30.000 30.300 0.129 0.000 0.877 457 R HN 0.189 nan 8.270 nan 0.000 0.441 458 L N 0.618 121.922 121.223 0.135 0.000 2.017 458 L HA -0.084 4.256 4.340 0.000 0.000 0.208 458 L C 2.111 179.048 176.870 0.112 0.000 1.073 458 L CA 2.033 56.933 54.840 0.101 0.000 0.745 458 L CB -0.703 41.414 42.059 0.096 0.000 0.894 458 L HN 0.129 nan 8.230 nan 0.000 0.432 459 A N -0.891 122.036 122.820 0.178 0.000 1.930 459 A HA 0.013 4.333 4.320 0.000 0.000 0.217 459 A C 2.330 179.940 177.584 0.042 0.000 1.175 459 A CA 1.292 53.454 52.037 0.209 0.000 0.627 459 A CB -1.447 17.791 19.000 0.398 0.000 0.815 459 A HN 0.508 nan 8.150 nan 0.000 0.443 460 G N 0.101 108.930 108.800 0.048 0.000 2.446 460 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 460 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 460 G C 1.051 175.856 174.900 -0.159 0.000 1.168 460 G CA 1.349 46.279 45.100 -0.283 0.000 0.771 460 G HN 0.496 nan 8.290 nan 0.000 0.551 461 D N 0.246 120.633 120.400 -0.022 0.000 2.178 461 D HA -0.018 4.622 4.640 0.000 0.000 0.201 461 D C 2.468 178.789 176.300 0.035 0.000 0.980 461 D CA 0.765 54.774 54.000 0.015 0.000 0.842 461 D CB 0.022 40.842 40.800 0.033 0.000 0.948 461 D HN 0.294 nan 8.370 nan 0.000 0.472 462 K N 0.299 120.716 120.400 0.029 0.000 2.057 462 K HA 0.007 4.327 4.320 0.000 0.000 0.206 462 K C 2.126 178.784 176.600 0.096 0.000 1.050 462 K CA 1.038 57.367 56.287 0.071 0.000 0.935 462 K CB -0.090 32.452 32.500 0.071 0.000 0.715 462 K HN 0.074 nan 8.250 nan 0.000 0.439 463 A N 2.107 124.915 122.820 -0.021 0.000 1.972 463 A HA -0.172 4.148 4.320 0.000 0.000 0.219 463 A C 1.769 179.467 177.584 0.190 0.000 1.169 463 A CA 1.396 53.432 52.037 -0.002 0.000 0.635 463 A CB -0.393 18.378 19.000 -0.382 0.000 0.810 463 A HN 0.245 nan 8.150 nan 0.000 0.446 464 N N 0.473 119.249 118.700 0.128 0.000 2.058 464 N HA -0.114 4.626 4.740 0.000 0.000 0.191 464 N C 1.987 177.672 175.510 0.292 0.000 1.037 464 N CA 1.634 54.821 53.050 0.228 0.000 0.848 464 N CB -0.617 37.954 38.487 0.141 0.000 1.021 464 N HN 0.413 nan 8.380 nan 0.000 0.422 465 S N 0.493 116.325 115.700 0.220 0.000 2.365 465 S HA -0.189 4.281 4.470 0.000 0.000 0.225 465 S C 1.597 176.371 174.600 0.290 0.000 1.039 465 S CA 1.229 59.554 58.200 0.208 0.000 1.033 465 S CB -0.450 62.855 63.200 0.176 0.000 0.887 465 S HN 0.549 nan 8.310 nan 0.000 0.447 466 W N 1.306 122.725 121.300 0.198 0.000 2.333 466 W HA -0.153 4.507 4.660 -0.000 0.000 0.316 466 W C 2.219 178.967 176.519 0.381 0.000 1.215 466 W CA 1.379 58.883 57.345 0.266 0.000 1.278 466 W CB -0.709 28.880 29.460 0.216 0.000 1.154 466 W HN 0.427 nan 8.180 nan 0.000 0.486 467 W N 0.428 121.823 121.300 0.159 0.000 2.358 467 W HA -0.216 4.444 4.660 -0.000 0.000 0.303 467 W C 1.837 178.468 176.519 0.187 0.000 1.208 467 W CA 1.276 58.613 57.345 -0.014 0.000 1.274 467 W CB -0.504 29.082 29.460 0.211 0.000 1.138 467 W HN -0.156 nan 8.180 nan 0.000 0.515 468 L N 0.504 121.798 121.223 0.118 0.000 2.275 468 L HA -0.153 4.187 4.340 0.000 0.000 0.215 468 L C 2.399 179.161 176.870 -0.181 0.000 1.119 468 L CA 1.012 55.765 54.840 -0.144 0.000 0.790 468 L CB -0.585 41.448 42.059 -0.043 0.000 0.919 468 L HN -0.097 nan 8.230 nan 0.000 0.443 469 R N -1.358 119.121 120.500 -0.035 0.000 2.307 469 R HA -0.072 4.268 4.340 0.000 0.000 0.199 469 R C 1.411 177.623 176.300 -0.147 0.000 1.000 469 R CA 0.419 56.493 56.100 -0.042 0.000 1.023 469 R CB -0.038 30.266 30.300 0.006 0.000 0.908 469 R HN 0.378 nan 8.270 nan 0.000 0.473 470 H N -1.687 117.133 119.070 -0.417 0.000 2.553 470 H HA 0.067 4.623 4.556 0.000 0.000 0.265 470 H C 0.108 175.087 175.328 -0.581 0.000 0.964 470 H CA -0.028 55.778 56.048 -0.405 0.000 1.156 470 H CB -0.088 29.430 29.762 -0.406 0.000 1.411 470 H HN 0.098 nan 8.280 nan 0.000 0.558 471 H N 1.965 120.478 119.070 -0.929 0.000 2.964 471 H HA -0.037 4.519 4.556 -0.000 0.000 0.328 471 H C -1.645 173.257 175.328 -0.710 0.000 1.030 471 H CA -1.441 53.748 56.048 -1.432 0.000 1.445 471 H CB 1.318 30.304 29.762 -1.293 0.000 1.449 471 H HN 0.106 nan 8.280 nan 0.000 0.581 472 P HA -0.222 nan 4.420 nan 0.000 0.217 472 P C 1.481 178.609 177.300 -0.285 0.000 1.158 472 P CA 1.766 64.575 63.100 -0.485 0.000 0.887 472 P CB 0.132 31.552 31.700 -0.467 0.000 0.792 473 R N -0.719 119.684 120.500 -0.161 0.000 2.127 473 R HA -0.102 4.238 4.340 0.000 0.000 0.238 473 R C 2.002 178.232 176.300 -0.116 0.000 1.134 473 R CA 1.332 57.425 56.100 -0.011 0.000 0.975 473 R CB -1.014 29.398 30.300 0.187 0.000 0.865 473 R HN 0.186 nan 8.270 nan 0.000 0.447 474 V N 1.040 120.889 119.914 -0.108 0.000 2.346 474 V HA -0.161 3.959 4.120 0.000 0.000 0.244 474 V C 2.301 178.298 176.094 -0.163 0.000 1.037 474 V CA 1.301 63.490 62.300 -0.185 0.000 1.029 474 V CB -0.372 31.385 31.823 -0.110 0.000 0.663 474 V HN 0.259 nan 8.190 nan 0.000 0.454 475 L N 1.180 122.299 121.223 -0.174 0.000 2.083 475 L HA -0.139 4.201 4.340 0.000 0.000 0.209 475 L C 2.490 179.273 176.870 -0.145 0.000 1.083 475 L CA 1.904 56.649 54.840 -0.159 0.000 0.752 475 L CB -0.668 41.285 42.059 -0.176 0.000 0.899 475 L HN 0.565 nan 8.230 nan 0.000 0.433 476 S N -1.449 114.161 115.700 -0.151 0.000 2.603 476 S HA 0.054 4.524 4.470 0.000 0.000 0.220 476 S C 0.931 175.443 174.600 -0.147 0.000 0.967 476 S CA -0.226 57.892 58.200 -0.136 0.000 0.920 476 S CB -0.338 62.788 63.200 -0.123 0.000 0.773 476 S HN 0.199 nan 8.310 nan 0.000 0.529 477 M N 1.905 121.400 119.600 -0.175 0.000 2.235 477 M HA 0.041 4.521 4.480 0.000 0.000 0.336 477 M C -0.232 175.927 176.300 -0.235 0.000 1.146 477 M CA 0.994 56.147 55.300 -0.244 0.000 1.018 477 M CB 0.147 32.563 32.600 -0.306 0.000 1.694 477 M HN 0.169 nan 8.290 nan 0.000 0.451 478 K N 3.567 123.804 120.400 -0.271 0.000 2.507 478 K HA 0.444 4.764 4.320 0.000 0.000 0.253 478 K C -1.428 175.014 176.600 -0.263 0.000 0.969 478 K CA -0.321 55.854 56.287 -0.186 0.000 0.908 478 K CB 1.152 33.586 32.500 -0.109 0.000 1.127 478 K HN 0.295 nan 8.250 nan 0.000 0.437 479 F N 1.696 121.558 119.950 -0.147 0.000 2.377 479 F HA 0.301 4.828 4.527 0.000 0.000 0.328 479 F C 0.874 176.562 175.800 -0.186 0.000 1.094 479 F CA -0.648 57.186 58.000 -0.275 0.000 1.093 479 F CB 0.984 39.780 39.000 -0.340 0.000 1.214 479 F HN 0.118 nan 8.300 nan 0.000 0.518 480 K N 2.054 122.469 120.400 0.026 0.000 2.379 480 K HA 0.433 4.753 4.320 0.000 0.000 0.284 480 K C -0.015 176.574 176.600 -0.018 0.000 1.044 480 K CA -0.467 55.814 56.287 -0.010 0.000 0.974 480 K CB 0.655 33.137 32.500 -0.029 0.000 0.962 480 K HN 0.730 nan 8.250 nan 0.000 0.474 481 A N 2.105 124.916 122.820 -0.016 0.000 2.586 481 A HA 0.293 4.613 4.320 0.000 0.000 0.231 481 A C 1.331 178.891 177.584 -0.039 0.000 1.055 481 A CA 1.046 53.067 52.037 -0.026 0.000 0.756 481 A CB -0.371 18.618 19.000 -0.018 0.000 0.988 481 A HN 0.991 nan 8.150 nan 0.000 0.509 482 G N 0.355 109.125 108.800 -0.049 0.000 2.232 482 G HA2 -0.155 3.805 3.960 0.000 0.000 0.226 482 G HA3 -0.155 3.805 3.960 0.000 0.000 0.226 482 G C 0.259 175.116 174.900 -0.073 0.000 0.996 482 G CA -0.009 45.060 45.100 -0.051 0.000 0.626 482 G HN 1.480 nan 8.290 nan 0.000 0.509 483 V N 3.269 123.119 119.914 -0.106 0.000 2.572 483 V HA 0.331 4.451 4.120 0.000 0.000 0.291 483 V C 0.927 176.922 176.094 -0.166 0.000 1.039 483 V CA -0.377 61.830 62.300 -0.154 0.000 1.055 483 V CB 1.368 33.044 31.823 -0.246 0.000 0.969 483 V HN 0.256 nan 8.190 nan 0.000 0.482 484 K N 4.304 124.623 120.400 -0.134 0.000 2.319 484 K HA 0.084 4.404 4.320 0.000 0.000 0.265 484 K C 1.493 178.004 176.600 -0.149 0.000 1.000 484 K CA -0.147 56.075 56.287 -0.107 0.000 0.943 484 K CB 0.669 33.135 32.500 -0.057 0.000 0.950 484 K HN 0.755 nan 8.250 nan 0.000 0.485 485 R N 1.242 121.675 120.500 -0.112 0.000 2.120 485 R HA -0.133 4.207 4.340 0.000 0.000 0.234 485 R C 1.665 177.915 176.300 -0.082 0.000 1.123 485 R CA 1.675 57.703 56.100 -0.119 0.000 0.975 485 R CB -0.391 29.869 30.300 -0.065 0.000 0.866 485 R HN 0.534 nan 8.270 nan 0.000 0.446 486 A N 1.572 124.382 122.820 -0.018 0.000 1.933 486 A HA -0.154 4.166 4.320 0.000 0.000 0.218 486 A C 1.903 179.489 177.584 0.003 0.000 1.175 486 A CA 1.540 53.615 52.037 0.062 0.000 0.628 486 A CB -0.306 18.785 19.000 0.152 0.000 0.814 486 A HN 0.565 nan 8.150 nan 0.000 0.444 487 E N -0.430 119.731 120.200 -0.066 0.000 2.107 487 E HA -0.073 4.277 4.350 0.000 0.000 0.191 487 E C 1.986 178.470 176.600 -0.192 0.000 0.982 487 E CA 0.986 57.328 56.400 -0.096 0.000 0.809 487 E CB -0.234 29.394 29.700 -0.120 0.000 0.756 487 E HN 0.383 nan 8.360 nan 0.000 0.459 488 V N 1.052 120.744 119.914 -0.369 0.000 2.255 488 V HA -0.294 3.826 4.120 0.000 0.000 0.247 488 V C 2.454 178.423 176.094 -0.207 0.000 1.051 488 V CA 1.992 63.911 62.300 -0.635 0.000 1.018 488 V CB -0.550 30.810 31.823 -0.772 0.000 0.641 488 V HN 0.254 nan 8.190 nan 0.000 0.445 489 S N -0.019 115.624 115.700 -0.095 0.000 2.365 489 S HA -0.261 4.209 4.470 0.000 0.000 0.225 489 S C 1.905 176.557 174.600 0.085 0.000 1.039 489 S CA 2.186 60.402 58.200 0.027 0.000 1.033 489 S CB -0.449 62.788 63.200 0.061 0.000 0.887 489 S HN 0.663 nan 8.310 nan 0.000 0.447 490 N N 1.445 120.189 118.700 0.074 0.000 2.106 490 N HA 0.081 4.821 4.740 0.000 0.000 0.188 490 N C 1.828 177.473 175.510 0.224 0.000 1.029 490 N CA 1.368 54.487 53.050 0.115 0.000 0.848 490 N CB -0.867 37.667 38.487 0.078 0.000 1.007 490 N HN 0.443 nan 8.380 nan 0.000 0.423 491 A N 0.487 123.472 122.820 0.276 0.000 2.076 491 A HA -0.065 4.255 4.320 0.000 0.000 0.220 491 A C 2.229 180.237 177.584 0.707 0.000 1.160 491 A CA 0.905 53.298 52.037 0.592 0.000 0.653 491 A CB -0.564 18.677 19.000 0.402 0.000 0.801 491 A HN 0.259 nan 8.150 nan 0.000 0.455 492 I N -0.946 119.888 120.570 0.440 0.000 2.339 492 I HA -0.124 4.046 4.170 0.000 0.000 0.245 492 I C 1.818 178.131 176.117 0.327 0.000 1.096 492 I CA 0.957 62.498 61.300 0.402 0.000 1.408 492 I CB -0.267 37.892 38.000 0.266 0.000 1.092 492 I HN 0.206 nan 8.210 nan 0.000 0.423 493 D N 0.712 121.252 120.400 0.234 0.000 2.117 493 D HA -0.204 4.436 4.640 0.000 0.000 0.197 493 D C 2.194 178.579 176.300 0.141 0.000 0.987 493 D CA 1.306 55.407 54.000 0.167 0.000 0.829 493 D CB -0.199 40.677 40.800 0.127 0.000 0.961 493 D HN 0.405 nan 8.370 nan 0.000 0.460 494 Q N -0.511 119.387 119.800 0.163 0.000 2.061 494 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 494 Q C 2.154 178.145 176.000 -0.016 0.000 0.984 494 Q CA 1.260 57.099 55.803 0.060 0.000 0.846 494 Q CB -0.344 28.436 28.738 0.069 0.000 0.902 494 Q HN 0.401 nan 8.270 nan 0.000 0.421 495 Y N 1.134 121.429 120.300 -0.008 0.000 2.114 495 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 495 Y C 2.121 177.967 175.900 -0.091 0.000 1.165 495 Y CA 1.812 59.867 58.100 -0.076 0.000 1.148 495 Y CB -0.175 38.392 38.460 0.178 0.000 0.972 495 Y HN 0.057 nan 8.280 nan 0.000 0.504 496 V N -2.732 117.175 119.914 -0.012 0.000 3.052 496 V HA -0.037 4.083 4.120 0.000 0.000 0.254 496 V C 1.786 177.808 176.094 -0.119 0.000 1.100 496 V CA 1.683 63.916 62.300 -0.112 0.000 1.112 496 V CB -1.168 30.681 31.823 0.044 0.000 0.738 496 V HN 0.545 nan 8.190 nan 0.000 0.469 497 T N -3.343 111.166 114.554 -0.076 0.000 3.107 497 T HA 0.422 4.772 4.350 0.000 0.000 0.249 497 T C 1.803 176.438 174.700 -0.108 0.000 1.096 497 T CA 0.886 62.949 62.100 -0.063 0.000 1.012 497 T CB 0.269 69.126 68.868 -0.017 0.000 0.977 497 T HN 1.357 nan 8.240 nan 0.000 0.527 498 G N 2.017 110.709 108.800 -0.179 0.000 2.377 498 G HA2 -0.395 3.565 3.960 0.000 0.000 0.250 498 G HA3 -0.395 3.565 3.960 0.000 0.000 0.250 498 G C 1.084 175.885 174.900 -0.165 0.000 1.039 498 G CA 1.000 45.980 45.100 -0.200 0.000 0.625 498 G HN 1.162 nan 8.290 nan 0.000 0.526 499 T N 0.362 114.847 114.554 -0.115 0.000 3.699 499 T HA 0.380 4.730 4.350 0.000 0.000 0.257 499 T C 2.054 176.691 174.700 -0.105 0.000 1.155 499 T CA 0.519 62.566 62.100 -0.087 0.000 0.987 499 T CB -0.319 68.520 68.868 -0.048 0.000 1.028 499 T HN 0.429 nan 8.240 nan 0.000 0.583 500 I N 1.881 122.342 120.570 -0.181 0.000 2.043 500 I HA 0.064 4.234 4.170 0.000 0.000 0.231 500 I C 1.592 177.619 176.117 -0.149 0.000 1.024 500 I CA 1.979 63.128 61.300 -0.253 0.000 1.309 500 I CB -1.335 36.393 38.000 -0.453 0.000 1.030 500 I HN 0.675 nan 8.210 nan 0.000 0.389 501 G N -0.569 108.146 108.800 -0.142 0.000 2.433 501 G HA2 0.238 4.198 3.960 0.000 0.000 0.306 501 G HA3 0.238 4.198 3.960 0.000 0.000 0.306 501 G C -0.176 174.679 174.900 -0.074 0.000 1.627 501 G CA -0.485 44.571 45.100 -0.074 0.000 0.893 501 G HN 0.141 nan 8.290 nan 0.000 0.648 502 E N 0.646 120.815 120.200 -0.051 0.000 2.077 502 E HA 0.056 4.406 4.350 0.000 0.000 0.193 502 E C 1.075 177.655 176.600 -0.033 0.000 0.989 502 E CA 2.234 58.606 56.400 -0.047 0.000 0.800 502 E CB 0.278 29.957 29.700 -0.036 0.000 0.746 502 E HN 0.624 nan 8.360 nan 0.000 0.452 503 D N -1.921 118.469 120.400 -0.016 0.000 3.041 503 D HA 0.009 4.649 4.640 0.000 0.000 0.201 503 D C 1.328 177.639 176.300 0.018 0.000 1.432 503 D CA 0.002 54.001 54.000 -0.001 0.000 1.469 503 D CB -0.270 40.531 40.800 0.001 0.000 1.051 503 D HN -0.023 nan 8.370 nan 0.000 0.203 504 E N 1.011 121.226 120.200 0.025 0.000 2.114 504 E HA -0.271 4.079 4.350 0.000 0.000 0.199 504 E C 0.542 177.184 176.600 0.069 0.000 1.008 504 E CA 1.529 57.955 56.400 0.043 0.000 0.810 504 E CB -0.091 29.631 29.700 0.036 0.000 0.739 504 E HN 0.266 nan 8.360 nan 0.000 0.456 505 D N 0.410 120.846 120.400 0.061 0.000 2.384 505 D HA -0.132 4.508 4.640 0.000 0.000 0.222 505 D C 1.825 178.210 176.300 0.141 0.000 0.976 505 D CA 0.411 54.467 54.000 0.094 0.000 0.915 505 D CB 0.067 40.895 40.800 0.046 0.000 0.896 505 D HN 0.262 nan 8.370 nan 0.000 0.523 506 L N 0.148 121.435 121.223 0.108 0.000 2.202 506 L HA -0.061 4.279 4.340 0.000 0.000 0.205 506 L C 2.103 179.119 176.870 0.244 0.000 1.083 506 L CA 0.915 55.840 54.840 0.142 0.000 0.790 506 L CB -0.075 42.014 42.059 0.050 0.000 0.942 506 L HN -0.197 nan 8.230 nan 0.000 0.452 507 V N -0.276 119.738 119.914 0.166 0.000 2.323 507 V HA -0.193 3.928 4.120 0.000 0.000 0.244 507 V C 2.559 178.756 176.094 0.171 0.000 1.041 507 V CA 1.884 64.272 62.300 0.147 0.000 1.025 507 V CB -0.935 30.943 31.823 0.091 0.000 0.656 507 V HN 0.446 nan 8.190 nan 0.000 0.451 508 K N -0.780 119.724 120.400 0.174 0.000 2.026 508 K HA -0.268 4.052 4.320 0.000 0.000 0.208 508 K C 2.063 178.801 176.600 0.231 0.000 1.048 508 K CA 2.152 58.537 56.287 0.164 0.000 0.929 508 K CB -0.321 32.265 32.500 0.144 0.000 0.713 508 K HN 0.555 nan 8.250 nan 0.000 0.439 509 W N 2.028 123.405 121.300 0.130 0.000 2.335 509 W HA -0.242 4.418 4.660 -0.000 0.000 0.311 509 W C 2.267 178.991 176.519 0.343 0.000 1.213 509 W CA 2.077 59.555 57.345 0.221 0.000 1.274 509 W CB -0.331 29.245 29.460 0.193 0.000 1.148 509 W HN 0.233 nan 8.180 nan 0.000 0.498 510 Q N 0.413 120.439 119.800 0.376 0.000 2.096 510 Q HA -0.081 4.259 4.340 0.000 0.000 0.204 510 Q C 1.273 177.336 176.000 0.105 0.000 0.982 510 Q CA 1.677 57.552 55.803 0.119 0.000 0.850 510 Q CB -0.625 28.228 28.738 0.193 0.000 0.901 510 Q HN 0.203 nan 8.270 nan 0.000 0.422 511 A N 0.054 122.935 122.820 0.102 0.000 3.026 511 A HA 0.243 4.563 4.320 0.000 0.000 0.272 511 A C 0.465 178.060 177.584 0.019 0.000 1.782 511 A CA 0.261 52.334 52.037 0.059 0.000 1.451 511 A CB -0.563 18.470 19.000 0.054 0.000 1.081 511 A HN 0.574 nan 8.150 nan 0.000 0.611 512 M N -0.562 119.037 119.600 -0.002 0.000 1.830 512 M HA 0.292 4.772 4.480 0.000 0.000 0.399 512 M C -1.334 174.796 176.300 -0.283 0.000 0.822 512 M CA 0.170 55.372 55.300 -0.164 0.000 1.183 512 M CB 0.572 32.990 32.600 -0.303 0.000 2.400 512 M HN 0.389 nan 8.290 nan 0.000 0.857 513 F N 0.598 120.413 119.950 -0.226 0.000 2.483 513 F HA 0.476 5.003 4.527 0.000 0.000 0.329 513 F C 1.280 176.966 175.800 -0.189 0.000 1.064 513 F CA -0.602 57.218 58.000 -0.301 0.000 0.986 513 F CB 0.966 39.663 39.000 -0.504 0.000 1.218 513 F HN -0.105 nan 8.300 nan 0.000 0.484 514 E N 0.529 120.737 120.200 0.012 0.000 2.038 514 E HA -0.035 4.315 4.350 0.000 0.000 0.190 514 E C -0.055 176.533 176.600 -0.019 0.000 0.967 514 E CA 0.816 57.209 56.400 -0.011 0.000 0.816 514 E CB 0.100 29.783 29.700 -0.028 0.000 0.784 514 E HN 0.579 nan 8.360 nan 0.000 0.456 515 E N 0.680 120.854 120.200 -0.044 0.000 2.028 515 E HA 0.225 4.575 4.350 0.000 0.000 0.266 515 E C -1.082 175.442 176.600 -0.126 0.000 0.962 515 E CA -0.487 55.870 56.400 -0.071 0.000 0.784 515 E CB 0.972 30.627 29.700 -0.074 0.000 1.114 515 E HN -0.040 nan 8.360 nan 0.000 0.414 516 V N 6.638 126.464 119.914 -0.147 0.000 2.694 516 V HA 0.050 4.170 4.120 0.000 0.000 0.306 516 V C -1.523 174.416 176.094 -0.257 0.000 1.054 516 V CA -0.543 61.583 62.300 -0.290 0.000 1.161 516 V CB 0.255 31.965 31.823 -0.188 0.000 0.916 516 V HN 0.686 nan 8.190 nan 0.000 0.490 517 P HA 0.633 nan 4.420 nan 0.000 0.296 517 P C -1.072 176.233 177.300 0.008 0.000 1.310 517 P CA -0.629 62.367 63.100 -0.174 0.000 0.900 517 P CB 2.072 33.596 31.700 -0.293 0.000 1.111 518 A N 2.696 125.539 122.820 0.038 0.000 2.304 518 A HA 0.366 4.686 4.320 0.000 0.000 0.301 518 A C 0.570 178.212 177.584 0.097 0.000 1.132 518 A CA -0.521 51.545 52.037 0.049 0.000 0.819 518 A CB 0.243 19.246 19.000 0.005 0.000 1.094 518 A HN 0.527 nan 8.150 nan 0.000 0.492 519 Q N -0.051 119.739 119.800 -0.017 0.000 2.614 519 Q HA 0.141 4.481 4.340 0.000 0.000 0.244 519 Q C -0.476 175.412 176.000 -0.187 0.000 1.097 519 Q CA 0.454 56.140 55.803 -0.195 0.000 0.986 519 Q CB 0.251 28.816 28.738 -0.288 0.000 1.308 519 Q HN 0.633 nan 8.270 nan 0.000 0.546 520 L N 1.021 122.039 121.223 -0.342 0.000 2.292 520 L HA 0.241 4.581 4.340 0.000 0.000 0.284 520 L C 0.843 177.591 176.870 -0.204 0.000 1.065 520 L CA -0.573 54.105 54.840 -0.270 0.000 0.806 520 L CB 1.252 43.078 42.059 -0.388 0.000 1.175 520 L HN 0.677 nan 8.230 nan 0.000 0.431 521 T N -1.620 112.857 114.554 -0.130 0.000 2.899 521 T HA 0.108 4.458 4.350 0.000 0.000 0.295 521 T C 1.006 175.657 174.700 -0.082 0.000 1.033 521 T CA -0.757 61.288 62.100 -0.093 0.000 1.084 521 T CB 1.136 69.972 68.868 -0.054 0.000 0.979 521 T HN 0.544 nan 8.240 nan 0.000 0.532 522 E N 1.423 121.582 120.200 -0.067 0.000 2.267 522 E HA -0.099 4.251 4.350 0.000 0.000 0.197 522 E C 2.196 178.784 176.600 -0.020 0.000 0.998 522 E CA 1.352 57.724 56.400 -0.048 0.000 0.830 522 E CB -0.863 28.813 29.700 -0.040 0.000 0.751 522 E HN 0.832 nan 8.360 nan 0.000 0.491 523 A N 1.382 124.193 122.820 -0.015 0.000 1.872 523 A HA -0.167 4.153 4.320 0.000 0.000 0.214 523 A C 2.083 179.685 177.584 0.029 0.000 1.187 523 A CA 1.201 53.243 52.037 0.009 0.000 0.614 523 A CB -0.322 18.683 19.000 0.007 0.000 0.826 523 A HN 0.194 nan 8.150 nan 0.000 0.442 524 E N 0.176 120.384 120.200 0.015 0.000 2.031 524 E HA -0.215 4.135 4.350 0.000 0.000 0.193 524 E C 2.060 178.698 176.600 0.063 0.000 0.994 524 E CA 1.483 57.907 56.400 0.041 0.000 0.800 524 E CB -0.234 29.454 29.700 -0.021 0.000 0.752 524 E HN 0.559 nan 8.360 nan 0.000 0.447 525 K N 1.038 121.432 120.400 -0.010 0.000 2.063 525 K HA -0.168 4.152 4.320 0.000 0.000 0.208 525 K C 2.136 178.816 176.600 0.133 0.000 1.048 525 K CA 1.242 57.543 56.287 0.023 0.000 0.928 525 K CB -0.070 32.406 32.500 -0.040 0.000 0.713 525 K HN 0.008 nan 8.250 nan 0.000 0.442 526 K N 0.584 121.040 120.400 0.094 0.000 2.097 526 K HA -0.201 4.119 4.320 0.000 0.000 0.205 526 K C 2.292 178.973 176.600 0.135 0.000 1.050 526 K CA 1.321 57.670 56.287 0.104 0.000 0.938 526 K CB -0.026 32.510 32.500 0.060 0.000 0.718 526 K HN 0.048 nan 8.250 nan 0.000 0.442 527 Q N 0.872 120.757 119.800 0.143 0.000 2.030 527 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 527 Q C 1.740 177.871 176.000 0.219 0.000 0.986 527 Q CA 1.775 57.672 55.803 0.156 0.000 0.843 527 Q CB -0.493 28.342 28.738 0.163 0.000 0.904 527 Q HN 0.510 nan 8.270 nan 0.000 0.420 528 W N 0.425 121.797 121.300 0.119 0.000 2.388 528 W HA -0.107 4.553 4.660 0.000 0.000 0.294 528 W C 1.650 178.365 176.519 0.327 0.000 1.212 528 W CA 1.239 58.684 57.345 0.167 0.000 1.271 528 W CB -0.169 29.365 29.460 0.122 0.000 1.126 528 W HN 0.259 nan 8.180 nan 0.000 0.535 529 I N 1.328 122.160 120.570 0.436 0.000 2.394 529 I HA -0.261 3.909 4.170 0.000 0.000 0.251 529 I C 2.589 178.829 176.117 0.206 0.000 1.136 529 I CA 1.313 62.891 61.300 0.463 0.000 1.425 529 I CB -0.815 37.390 38.000 0.341 0.000 1.079 529 I HN -0.095 nan 8.210 nan 0.000 0.425 530 A N 0.543 123.435 122.820 0.121 0.000 2.121 530 A HA -0.160 4.160 4.320 0.000 0.000 0.218 530 A C 2.147 179.719 177.584 -0.020 0.000 1.154 530 A CA 1.164 53.221 52.037 0.034 0.000 0.679 530 A CB -0.369 18.652 19.000 0.035 0.000 0.795 530 A HN 0.342 nan 8.150 nan 0.000 0.458 531 K N -1.116 119.271 120.400 -0.022 0.000 2.432 531 K HA 0.088 4.408 4.320 0.000 0.000 0.196 531 K C 0.124 176.633 176.600 -0.152 0.000 1.038 531 K CA -0.101 56.126 56.287 -0.100 0.000 0.986 531 K CB -0.183 32.148 32.500 -0.281 0.000 0.782 531 K HN 0.420 nan 8.250 nan 0.000 0.485 532 L N 1.525 122.564 121.223 -0.307 0.000 2.349 532 L HA 0.121 4.461 4.340 0.000 0.000 0.275 532 L C -0.047 176.574 176.870 -0.415 0.000 1.115 532 L CA 0.637 54.998 54.840 -0.799 0.000 0.820 532 L CB 0.903 42.116 42.059 -1.409 0.000 1.135 532 L HN 0.121 nan 8.230 nan 0.000 0.445 533 T N 1.291 115.632 114.554 -0.354 0.000 2.754 533 T HA 0.685 5.035 4.350 0.000 0.000 0.296 533 T C 0.243 174.880 174.700 -0.104 0.000 1.205 533 T CA -0.463 61.527 62.100 -0.183 0.000 1.009 533 T CB 1.070 69.863 68.868 -0.124 0.000 1.368 533 T HN 1.659 nan 8.240 nan 0.000 0.509 534 A N -0.344 122.461 122.820 -0.025 0.000 2.832 534 A HA -0.018 4.302 4.320 0.000 0.000 0.280 534 A C 0.378 178.072 177.584 0.184 0.000 1.464 534 A CA 0.645 52.768 52.037 0.142 0.000 0.804 534 A CB -2.671 16.415 19.000 0.142 0.000 1.020 534 A HN 1.341 nan 8.150 nan 0.000 0.563 535 V N 0.325 120.294 119.914 0.093 0.000 2.686 535 V HA 0.572 4.692 4.120 0.000 0.000 0.295 535 V C 0.924 177.139 176.094 0.201 0.000 1.057 535 V CA 0.226 62.590 62.300 0.106 0.000 1.012 535 V CB 1.767 33.636 31.823 0.076 0.000 1.006 535 V HN 0.588 nan 8.190 nan 0.000 0.477 536 S N 3.460 119.252 115.700 0.154 0.000 2.578 536 S HA 0.783 5.253 4.470 0.000 0.000 0.301 536 S C -0.771 173.853 174.600 0.040 0.000 1.091 536 S CA -0.514 57.767 58.200 0.134 0.000 1.032 536 S CB 1.497 64.717 63.200 0.034 0.000 1.064 536 S HN 0.621 nan 8.310 nan 0.000 0.508 537 L N 1.841 123.062 121.223 -0.004 0.000 2.436 537 L HA 0.674 5.014 4.340 0.000 0.000 0.268 537 L C -0.857 175.985 176.870 -0.046 0.000 0.974 537 L CA -0.168 54.603 54.840 -0.115 0.000 0.826 537 L CB 2.053 43.962 42.059 -0.251 0.000 1.291 537 L HN 0.665 nan 8.230 nan 0.000 0.406 538 S N 2.231 117.894 115.700 -0.062 0.000 2.500 538 S HA 0.650 5.120 4.470 0.000 0.000 0.301 538 S C -1.041 173.515 174.600 -0.072 0.000 1.092 538 S CA -0.342 57.838 58.200 -0.033 0.000 1.030 538 S CB 1.824 65.026 63.200 0.003 0.000 1.031 538 S HN 0.628 nan 8.310 nan 0.000 0.483 539 S N 1.754 117.371 115.700 -0.139 0.000 2.482 539 S HA 0.337 4.807 4.470 0.000 0.000 0.303 539 S C 0.495 174.992 174.600 -0.171 0.000 1.091 539 S CA -0.696 57.379 58.200 -0.208 0.000 1.057 539 S CB 1.082 63.933 63.200 -0.581 0.000 1.031 539 S HN 0.871 nan 8.310 nan 0.000 0.485 540 D N 3.092 123.436 120.400 -0.094 0.000 2.347 540 D HA 0.206 4.846 4.640 0.000 0.000 0.215 540 D C 0.458 176.639 176.300 -0.199 0.000 0.976 540 D CA 0.358 54.312 54.000 -0.077 0.000 0.884 540 D CB 0.045 40.882 40.800 0.062 0.000 0.915 540 D HN 0.485 nan 8.370 nan 0.000 0.526 541 A N -0.396 122.288 122.820 -0.227 0.000 2.569 541 A HA 0.564 4.884 4.320 0.000 0.000 0.290 541 A C -0.776 176.604 177.584 -0.341 0.000 1.136 541 A CA -1.052 50.758 52.037 -0.378 0.000 0.710 541 A CB 0.612 19.403 19.000 -0.348 0.000 1.303 541 A HN 0.141 nan 8.150 nan 0.000 0.413 542 F N -0.526 119.273 119.950 -0.252 0.000 2.506 542 F HA 0.658 5.186 4.527 0.000 0.000 0.351 542 F C -0.714 175.008 175.800 -0.131 0.000 1.136 542 F CA -1.234 56.620 58.000 -0.244 0.000 1.298 542 F CB -0.327 38.550 39.000 -0.205 0.000 1.145 542 F HN 0.253 nan 8.300 nan 0.000 0.593 543 F N 3.668 123.831 119.950 0.355 0.000 2.472 543 F HA 0.309 4.836 4.527 0.000 0.000 0.364 543 F C -1.567 174.390 175.800 0.261 0.000 1.090 543 F CA -2.035 56.112 58.000 0.246 0.000 1.188 543 F CB 0.450 39.551 39.000 0.168 0.000 1.105 543 F HN 0.358 nan 8.300 nan 0.000 0.536 544 P HA 0.009 nan 4.420 nan 0.000 0.221 544 P C -0.619 176.317 177.300 -0.606 0.000 1.155 544 P CA 1.144 64.206 63.100 -0.062 0.000 0.812 544 P CB 0.361 32.041 31.700 -0.032 0.000 0.801 545 F N -1.869 118.183 119.950 0.169 0.000 2.599 545 F HA 0.370 4.897 4.527 -0.000 0.000 0.311 545 F C 1.550 177.354 175.800 0.006 0.000 1.076 545 F CA -1.106 56.938 58.000 0.074 0.000 0.937 545 F CB 1.149 40.176 39.000 0.045 0.000 1.282 545 F HN -0.380 nan 8.300 nan 0.000 0.460 546 R N -0.113 120.486 120.500 0.165 0.000 2.285 546 R HA -0.090 4.250 4.340 0.000 0.000 0.213 546 R C 0.858 177.146 176.300 -0.019 0.000 1.068 546 R CA 1.585 57.699 56.100 0.023 0.000 1.004 546 R CB -0.640 29.676 30.300 0.026 0.000 0.873 546 R HN 0.675 nan 8.270 nan 0.000 0.467 547 D N 0.955 121.384 120.400 0.049 0.000 2.271 547 D HA -0.228 4.412 4.640 0.000 0.000 0.207 547 D C 0.904 177.171 176.300 -0.055 0.000 0.983 547 D CA 1.092 55.094 54.000 0.003 0.000 0.878 547 D CB -0.423 40.383 40.800 0.012 0.000 0.920 547 D HN 0.306 nan 8.370 nan 0.000 0.479 548 N N 0.394 119.007 118.700 -0.145 0.000 2.135 548 N HA -0.078 4.662 4.740 0.000 0.000 0.186 548 N C 2.088 177.390 175.510 -0.347 0.000 1.027 548 N CA 1.132 53.995 53.050 -0.312 0.000 0.849 548 N CB -0.172 37.837 38.487 -0.796 0.000 1.002 548 N HN 0.160 nan 8.380 nan 0.000 0.425 549 V N 2.103 121.780 119.914 -0.394 0.000 2.490 549 V HA -0.165 3.955 4.120 0.000 0.000 0.250 549 V C 1.683 177.701 176.094 -0.126 0.000 1.061 549 V CA 1.470 63.616 62.300 -0.257 0.000 1.064 549 V CB -0.410 31.294 31.823 -0.198 0.000 0.670 549 V HN 0.193 nan 8.190 nan 0.000 0.461 550 D N -0.229 120.114 120.400 -0.095 0.000 2.183 550 D HA -0.118 4.522 4.640 0.000 0.000 0.203 550 D C 2.354 178.641 176.300 -0.022 0.000 0.969 550 D CA 0.894 54.866 54.000 -0.047 0.000 0.842 550 D CB 0.015 40.796 40.800 -0.031 0.000 0.957 550 D HN 0.274 nan 8.370 nan 0.000 0.484 551 R N 1.378 121.869 120.500 -0.015 0.000 2.075 551 R HA 0.079 4.419 4.340 0.000 0.000 0.226 551 R C 1.964 178.308 176.300 0.074 0.000 1.114 551 R CA 1.503 57.623 56.100 0.034 0.000 0.972 551 R CB -0.742 29.594 30.300 0.060 0.000 0.869 551 R HN -0.005 nan 8.270 nan 0.000 0.437 552 A N 0.779 123.639 122.820 0.067 0.000 1.883 552 A HA -0.183 4.137 4.320 0.000 0.000 0.217 552 A C 2.077 179.717 177.584 0.092 0.000 1.186 552 A CA 1.962 54.088 52.037 0.148 0.000 0.624 552 A CB -0.558 18.461 19.000 0.030 0.000 0.822 552 A HN 0.302 nan 8.150 nan 0.000 0.444 553 K N -0.001 120.407 120.400 0.012 0.000 2.147 553 K HA -0.058 4.263 4.320 0.000 0.000 0.205 553 K C 2.020 178.615 176.600 -0.007 0.000 1.049 553 K CA 1.331 57.609 56.287 -0.016 0.000 0.936 553 K CB -0.267 32.209 32.500 -0.040 0.000 0.722 553 K HN 0.496 nan 8.250 nan 0.000 0.446 554 R N -0.576 119.930 120.500 0.010 0.000 2.193 554 R HA -0.050 4.290 4.340 0.000 0.000 0.229 554 R C 1.092 177.397 176.300 0.009 0.000 1.110 554 R CA 1.004 57.111 56.100 0.011 0.000 0.988 554 R CB -0.145 30.168 30.300 0.022 0.000 0.871 554 R HN 0.149 nan 8.270 nan 0.000 0.458 555 I N -0.260 120.316 120.570 0.010 0.000 3.889 555 I HA 0.260 4.430 4.170 0.000 0.000 0.332 555 I C 0.430 176.507 176.117 -0.067 0.000 1.493 555 I CA 0.034 61.316 61.300 -0.029 0.000 1.158 555 I CB 0.405 38.356 38.000 -0.081 0.000 1.117 555 I HN 0.279 nan 8.210 nan 0.000 0.411 556 G N 0.772 109.537 108.800 -0.059 0.000 2.137 556 G HA2 -0.190 3.770 3.960 0.000 0.000 0.237 556 G HA3 -0.190 3.770 3.960 0.000 0.000 0.237 556 G C 0.237 175.104 174.900 -0.055 0.000 1.002 556 G CA 0.222 45.266 45.100 -0.093 0.000 0.702 556 G HN 0.287 nan 8.290 nan 0.000 0.515 557 V N 0.176 120.090 119.914 0.000 0.000 2.614 557 V HA 0.321 4.441 4.120 0.000 0.000 0.291 557 V C 1.226 177.245 176.094 -0.126 0.000 1.049 557 V CA 1.046 63.349 62.300 0.005 0.000 1.038 557 V CB 1.563 33.423 31.823 0.062 0.000 0.980 557 V HN 0.559 nan 8.190 nan 0.000 0.481 558 Q N 2.938 122.592 119.800 -0.244 0.000 2.288 558 Q HA 0.312 4.652 4.340 0.000 0.000 0.256 558 Q C -0.961 174.493 176.000 -0.910 0.000 0.835 558 Q CA 0.327 55.742 55.803 -0.648 0.000 0.958 558 Q CB 1.123 29.272 28.738 -0.981 0.000 1.125 558 Q HN 0.708 nan 8.270 nan 0.000 0.513 559 F N 0.777 120.692 119.950 -0.058 0.000 2.539 559 F HA 0.556 5.083 4.527 0.000 0.000 0.318 559 F C -0.437 175.324 175.800 -0.065 0.000 1.135 559 F CA -0.840 57.113 58.000 -0.077 0.000 0.915 559 F CB 1.470 40.398 39.000 -0.120 0.000 1.176 559 F HN -0.205 nan 8.300 nan 0.000 0.440 560 I N 3.362 123.992 120.570 0.101 0.000 2.545 560 I HA 0.576 4.746 4.170 0.000 0.000 0.292 560 I C -1.340 174.834 176.117 0.095 0.000 1.040 560 I CA -1.211 60.147 61.300 0.096 0.000 1.068 560 I CB 2.488 40.575 38.000 0.145 0.000 1.251 560 I HN 0.408 nan 8.210 nan 0.000 0.424 561 V N 5.909 125.878 119.914 0.092 0.000 2.531 561 V HA 0.951 5.071 4.120 0.000 0.000 0.301 561 V C -0.855 175.273 176.094 0.056 0.000 1.034 561 V CA 0.030 62.403 62.300 0.123 0.000 0.865 561 V CB 1.410 33.364 31.823 0.219 0.000 0.995 561 V HN 0.898 nan 8.190 nan 0.000 0.424 562 A N 7.938 130.798 122.820 0.067 0.000 2.604 562 A HA 0.958 5.278 4.320 0.000 0.000 0.295 562 A C -3.265 174.341 177.584 0.037 0.000 1.067 562 A CA -1.345 50.660 52.037 -0.054 0.000 0.683 562 A CB 2.268 21.092 19.000 -0.293 0.000 1.281 562 A HN 0.641 nan 8.150 nan 0.000 0.407 563 P HA 0.258 nan 4.420 nan 0.000 0.274 563 P C 0.209 177.394 177.300 -0.191 0.000 1.237 563 P CA 0.197 63.244 63.100 -0.089 0.000 0.793 563 P CB 1.438 33.067 31.700 -0.118 0.000 0.977 564 S N 0.049 115.528 115.700 -0.369 0.000 2.694 564 S HA 0.644 5.114 4.470 0.000 0.000 0.278 564 S C 1.052 175.416 174.600 -0.394 0.000 1.152 564 S CA 0.485 58.238 58.200 -0.745 0.000 1.010 564 S CB 0.013 62.823 63.200 -0.649 0.000 1.104 564 S HN 0.798 nan 8.310 nan 0.000 0.547 565 G N 0.195 108.671 108.800 -0.540 0.000 2.624 565 G HA2 -0.117 3.843 3.960 0.000 0.000 0.190 565 G HA3 -0.117 3.843 3.960 0.000 0.000 0.190 565 G C 0.270 174.529 174.900 -1.068 0.000 1.008 565 G CA 0.310 45.076 45.100 -0.557 0.000 0.731 565 G HN 1.099 nan 8.290 nan 0.000 0.478 566 S N 0.424 115.185 115.700 -1.565 0.000 2.600 566 S HA 0.613 5.083 4.470 0.000 0.000 0.265 566 S C 1.631 175.899 174.600 -0.555 0.000 1.325 566 S CA 0.931 58.353 58.200 -1.295 0.000 1.002 566 S CB 1.294 63.944 63.200 -0.916 0.000 0.921 566 S HN 1.514 nan 8.310 nan 0.000 0.554 567 A N 2.191 124.794 122.820 -0.362 0.000 2.251 567 A HA 0.514 4.834 4.320 0.000 0.000 0.209 567 A C 1.483 178.963 177.584 -0.174 0.000 1.187 567 A CA 0.633 52.545 52.037 -0.209 0.000 0.823 567 A CB -0.493 18.424 19.000 -0.138 0.000 0.846 567 A HN 1.053 nan 8.150 nan 0.000 0.486 568 A N -0.731 121.959 122.820 -0.218 0.000 2.430 568 A HA 0.245 4.565 4.320 0.000 0.000 0.243 568 A C 1.040 178.572 177.584 -0.087 0.000 1.254 568 A CA 0.395 52.343 52.037 -0.148 0.000 0.914 568 A CB -0.080 18.794 19.000 -0.209 0.000 0.998 568 A HN 0.277 nan 8.150 nan 0.000 0.515 569 D N 0.815 121.149 120.400 -0.109 0.000 2.133 569 D HA -0.232 4.408 4.640 0.000 0.000 0.192 569 D C 1.668 178.003 176.300 0.058 0.000 1.001 569 D CA 1.664 55.677 54.000 0.022 0.000 0.844 569 D CB -0.134 40.653 40.800 -0.020 0.000 0.944 569 D HN 0.676 nan 8.370 nan 0.000 0.447 570 E N 0.253 120.457 120.200 0.006 0.000 2.049 570 E HA -0.168 4.182 4.350 0.000 0.000 0.198 570 E C 2.243 178.846 176.600 0.004 0.000 1.007 570 E CA 1.038 57.440 56.400 0.004 0.000 0.809 570 E CB 0.064 29.756 29.700 -0.012 0.000 0.749 570 E HN 0.034 nan 8.360 nan 0.000 0.450 571 V N 0.483 120.397 119.914 -0.000 0.000 2.392 571 V HA -0.233 3.887 4.120 0.000 0.000 0.249 571 V C 2.363 178.465 176.094 0.014 0.000 1.059 571 V CA 1.341 63.645 62.300 0.007 0.000 1.051 571 V CB -0.223 31.607 31.823 0.011 0.000 0.658 571 V HN 0.188 nan 8.190 nan 0.000 0.455 572 V N -0.385 119.546 119.914 0.030 0.000 2.548 572 V HA -0.169 3.951 4.120 0.000 0.000 0.249 572 V C 2.087 178.188 176.094 0.011 0.000 1.055 572 V CA 1.759 64.086 62.300 0.045 0.000 1.065 572 V CB -0.323 31.583 31.823 0.138 0.000 0.681 572 V HN 0.455 nan 8.190 nan 0.000 0.462 573 I N -0.566 120.004 120.570 0.000 0.000 2.315 573 I HA -0.136 4.034 4.170 0.000 0.000 0.248 573 I C 2.618 178.712 176.117 -0.037 0.000 1.117 573 I CA 1.016 62.288 61.300 -0.047 0.000 1.404 573 I CB -0.299 37.677 38.000 -0.041 0.000 1.071 573 I HN 0.263 nan 8.210 nan 0.000 0.419 574 E N 1.148 121.335 120.200 -0.021 0.000 2.047 574 E HA -0.169 4.181 4.350 0.000 0.000 0.191 574 E C 2.355 178.939 176.600 -0.027 0.000 0.987 574 E CA 1.473 57.861 56.400 -0.021 0.000 0.799 574 E CB -0.399 29.294 29.700 -0.012 0.000 0.752 574 E HN 0.430 nan 8.360 nan 0.000 0.449 575 A N 0.595 123.400 122.820 -0.025 0.000 1.917 575 A HA -0.263 4.057 4.320 0.000 0.000 0.219 575 A C 2.680 180.235 177.584 -0.048 0.000 1.182 575 A CA 1.874 53.891 52.037 -0.033 0.000 0.633 575 A CB -1.063 17.916 19.000 -0.036 0.000 0.819 575 A HN 0.395 nan 8.150 nan 0.000 0.448 576 C N -0.703 118.564 119.300 -0.054 0.000 2.453 576 C HA -0.065 4.395 4.460 0.000 0.000 0.277 576 C C 2.668 177.619 174.990 -0.065 0.000 1.262 576 C CA 0.967 59.944 59.018 -0.067 0.000 1.718 576 C CB -1.495 26.202 27.740 -0.070 0.000 2.031 576 C HN 0.645 nan 8.230 nan 0.000 0.480 577 N N 1.061 119.729 118.700 -0.054 0.000 2.137 577 N HA -0.159 4.581 4.740 0.000 0.000 0.190 577 N C 1.739 177.221 175.510 -0.045 0.000 1.017 577 N CA 1.932 54.954 53.050 -0.047 0.000 0.859 577 N CB -0.439 38.026 38.487 -0.036 0.000 1.002 577 N HN 0.780 nan 8.380 nan 0.000 0.428 578 E N 0.534 120.709 120.200 -0.042 0.000 2.060 578 E HA -0.012 4.338 4.350 0.000 0.000 0.189 578 E C 1.862 178.433 176.600 -0.047 0.000 0.974 578 E CA 0.423 56.800 56.400 -0.038 0.000 0.808 578 E CB -0.613 29.069 29.700 -0.030 0.000 0.768 578 E HN 0.205 nan 8.360 nan 0.000 0.453 579 L N 0.938 122.129 121.223 -0.054 0.000 2.549 579 L HA 0.027 4.367 4.340 0.000 0.000 0.230 579 L C 1.130 177.951 176.870 -0.081 0.000 1.162 579 L CA 0.763 55.566 54.840 -0.063 0.000 0.834 579 L CB -0.833 41.186 42.059 -0.067 0.000 0.947 579 L HN 0.563 nan 8.230 nan 0.000 0.452 580 G N 1.209 109.959 108.800 -0.083 0.000 2.256 580 G HA2 -0.274 3.686 3.960 0.000 0.000 0.272 580 G HA3 -0.274 3.686 3.960 0.000 0.000 0.272 580 G C -0.075 174.733 174.900 -0.154 0.000 1.076 580 G CA -0.145 44.894 45.100 -0.103 0.000 0.882 580 G HN 0.315 nan 8.290 nan 0.000 0.497 581 I N 0.640 121.121 120.570 -0.149 0.000 2.441 581 I HA 0.324 4.494 4.170 0.000 0.000 0.295 581 I C 0.496 176.516 176.117 -0.161 0.000 0.994 581 I CA -0.717 60.464 61.300 -0.198 0.000 1.144 581 I CB 1.915 39.825 38.000 -0.151 0.000 1.314 581 I HN 0.053 nan 8.210 nan 0.000 0.445 582 T N 7.007 121.443 114.554 -0.197 0.000 2.729 582 T HA 0.342 4.692 4.350 0.000 0.000 0.296 582 T C -0.386 174.300 174.700 -0.023 0.000 0.928 582 T CA -0.220 61.838 62.100 -0.069 0.000 1.045 582 T CB 0.580 69.469 68.868 0.034 0.000 0.902 582 T HN 0.172 nan 8.240 nan 0.000 0.500 583 L N 5.394 126.596 121.223 -0.035 0.000 2.317 583 L HA 0.687 5.027 4.340 0.000 0.000 0.281 583 L C -1.069 175.777 176.870 -0.039 0.000 1.024 583 L CA -0.663 54.150 54.840 -0.044 0.000 0.810 583 L CB 0.954 42.943 42.059 -0.116 0.000 1.240 583 L HN 0.599 nan 8.230 nan 0.000 0.427 584 I N 4.539 125.115 120.570 0.011 0.000 2.418 584 I HA 0.353 4.523 4.170 0.000 0.000 0.287 584 I C -0.585 175.604 176.117 0.120 0.000 1.008 584 I CA -0.509 60.836 61.300 0.076 0.000 1.104 584 I CB 1.400 39.511 38.000 0.185 0.000 1.264 584 I HN 0.621 nan 8.210 nan 0.000 0.438 585 H N 3.500 122.601 119.070 0.052 0.000 2.479 585 H HA 0.597 5.153 4.556 0.000 0.000 0.335 585 H C -0.144 175.188 175.328 0.006 0.000 1.142 585 H CA -0.484 55.577 56.048 0.021 0.000 1.234 585 H CB 1.880 31.645 29.762 0.004 0.000 1.503 585 H HN 0.659 nan 8.280 nan 0.000 0.510 586 T N -0.511 114.098 114.554 0.093 0.000 2.804 586 T HA 0.248 4.598 4.350 0.000 0.000 0.290 586 T C -0.037 174.633 174.700 -0.050 0.000 1.099 586 T CA -1.146 60.958 62.100 0.006 0.000 1.011 586 T CB 1.358 70.215 68.868 -0.019 0.000 1.291 586 T HN 0.528 nan 8.240 nan 0.000 0.523 587 N N 0.499 119.161 118.700 -0.063 0.000 2.535 587 N HA 0.302 5.042 4.740 0.000 0.000 0.294 587 N C -1.196 174.260 175.510 -0.088 0.000 1.408 587 N CA -0.217 52.788 53.050 -0.076 0.000 0.927 587 N CB 0.541 38.990 38.487 -0.064 0.000 1.276 587 N HN 0.448 nan 8.380 nan 0.000 0.505 588 L N 1.173 122.336 121.223 -0.101 0.000 2.433 588 L HA 0.339 4.679 4.340 0.000 0.000 0.256 588 L C -0.059 176.719 176.870 -0.154 0.000 1.063 588 L CA -0.391 54.379 54.840 -0.118 0.000 0.922 588 L CB 0.567 42.558 42.059 -0.113 0.000 1.238 588 L HN -0.098 nan 8.230 nan 0.000 0.466 589 R N 3.373 123.758 120.500 -0.191 0.000 2.590 589 R HA 0.291 4.631 4.340 0.000 0.000 0.274 589 R C -0.042 176.111 176.300 -0.245 0.000 1.061 589 R CA -0.041 55.878 56.100 -0.302 0.000 1.081 589 R CB 0.824 30.887 30.300 -0.395 0.000 0.984 589 R HN 0.639 nan 8.270 nan 0.000 0.448 590 L N 3.759 124.833 121.223 -0.247 0.000 3.202 590 L HA 0.247 4.587 4.340 0.000 0.000 0.278 590 L C -0.387 176.488 176.870 0.009 0.000 1.268 590 L CA -0.436 54.324 54.840 -0.133 0.000 1.034 590 L CB 0.171 42.152 42.059 -0.130 0.000 1.407 590 L HN 0.372 nan 8.230 nan 0.000 0.581 591 F N 0.551 120.433 119.950 -0.113 0.000 2.629 591 F HA 0.035 4.562 4.527 0.000 0.000 0.369 591 F C 0.745 176.478 175.800 -0.111 0.000 1.125 591 F CA 0.144 58.060 58.000 -0.141 0.000 1.330 591 F CB -0.156 38.780 39.000 -0.106 0.000 1.071 591 F HN 0.101 nan 8.300 nan 0.000 0.595 592 H N 3.203 122.147 119.070 -0.211 0.000 2.934 592 H HA 0.446 5.002 4.556 0.000 0.000 0.340 592 H C -1.077 173.999 175.328 -0.421 0.000 1.008 592 H CA -0.424 55.500 56.048 -0.207 0.000 1.317 592 H CB 0.592 30.285 29.762 -0.114 0.000 1.670 592 H HN 0.548 nan 8.280 nan 0.000 0.516 593 H N 0.000 118.909 119.070 -0.269 0.000 2.539 593 H HA 0.000 4.556 4.556 0.000 0.000 0.296 593 H CA 0.000 55.901 56.048 -0.245 0.000 1.023 593 H CB 0.000 29.687 29.762 -0.125 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496