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 3cmu_1_A DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR XXXXXXXXNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LL 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 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.096 176.094 0.004 0.000 1.182 37 V CA 0.000 62.303 62.300 0.005 0.000 1.235 37 V CB 0.000 31.826 31.823 0.004 0.000 1.184 38 E N 2.745 122.947 120.200 0.004 0.000 2.200 38 E HA 0.658 5.008 4.350 0.000 0.000 0.283 38 E C 0.048 176.648 176.600 0.001 0.000 1.015 38 E CA -0.161 56.240 56.400 0.002 0.000 0.819 38 E CB 1.392 31.094 29.700 0.002 0.000 1.081 38 E HN 0.741 nan 8.360 nan 0.000 0.397 39 T N 2.433 116.986 114.554 -0.001 0.000 2.856 39 T HA 0.531 4.881 4.350 0.000 0.000 0.283 39 T C -0.114 174.583 174.700 -0.005 0.000 1.008 39 T CA -0.960 61.138 62.100 -0.003 0.000 0.997 39 T CB 0.936 69.801 68.868 -0.005 0.000 0.992 39 T HN 0.239 nan 8.240 nan 0.000 0.454 40 I N 1.971 122.536 120.570 -0.007 0.000 2.607 40 I HA 0.418 4.588 4.170 0.000 0.000 0.305 40 I C 1.024 177.136 176.117 -0.010 0.000 0.995 40 I CA -0.727 60.567 61.300 -0.009 0.000 1.148 40 I CB 1.817 39.811 38.000 -0.010 0.000 1.323 40 I HN 0.865 nan 8.210 nan 0.000 0.461 41 S N 1.943 117.638 115.700 -0.007 0.000 2.568 41 S HA 0.067 4.537 4.470 0.000 0.000 0.282 41 S C 1.330 175.925 174.600 -0.010 0.000 1.338 41 S CA 0.081 58.280 58.200 -0.001 0.000 1.045 41 S CB 0.407 63.616 63.200 0.016 0.000 0.873 41 S HN 0.773 nan 8.310 nan 0.000 0.516 42 T N 1.355 115.896 114.554 -0.020 0.000 3.067 42 T HA 0.319 4.669 4.350 0.000 0.000 0.257 42 T C 1.473 176.152 174.700 -0.036 0.000 1.105 42 T CA 0.600 62.679 62.100 -0.035 0.000 1.104 42 T CB -0.272 68.558 68.868 -0.064 0.000 0.925 42 T HN 1.494 nan 8.240 nan 0.000 0.498 43 G N 0.550 109.347 108.800 -0.005 0.000 2.175 43 G HA2 -0.191 3.769 3.960 0.000 0.000 0.244 43 G HA3 -0.191 3.769 3.960 0.000 0.000 0.244 43 G C 0.142 175.039 174.900 -0.006 0.000 0.982 43 G CA 0.132 45.254 45.100 0.036 0.000 0.641 43 G HN 1.041 nan 8.290 nan 0.000 0.527 44 S N -0.471 115.121 115.700 -0.180 0.000 2.733 44 S HA 0.602 5.073 4.470 0.000 0.000 0.294 44 S C 1.015 175.386 174.600 -0.381 0.000 1.149 44 S CA 0.080 58.005 58.200 -0.459 0.000 1.034 44 S CB 1.285 63.946 63.200 -0.898 0.000 1.015 44 S HN 0.899 nan 8.310 nan 0.000 0.486 45 L N 5.651 126.568 121.223 -0.510 0.000 1.976 45 L HA -0.029 4.311 4.340 0.000 0.000 0.209 45 L C 2.705 179.420 176.870 -0.258 0.000 1.071 45 L CA 2.901 57.488 54.840 -0.422 0.000 0.746 45 L CB -0.926 40.754 42.059 -0.631 0.000 0.890 45 L HN 0.900 nan 8.230 nan 0.000 0.432 46 S N -1.061 114.496 115.700 -0.239 0.000 2.420 46 S HA -0.258 4.212 4.470 0.000 0.000 0.237 46 S C 2.084 176.635 174.600 -0.081 0.000 1.023 46 S CA 1.693 59.825 58.200 -0.113 0.000 0.991 46 S CB -1.050 62.130 63.200 -0.034 0.000 0.792 46 S HN 0.516 nan 8.310 nan 0.000 0.488 47 L N 1.387 122.530 121.223 -0.134 0.000 2.023 47 L HA -0.077 4.263 4.340 0.000 0.000 0.205 47 L C 2.207 179.032 176.870 -0.076 0.000 1.073 47 L CA 1.867 56.655 54.840 -0.087 0.000 0.745 47 L CB -0.505 41.472 42.059 -0.137 0.000 0.900 47 L HN 0.224 nan 8.230 nan 0.000 0.435 48 D N 0.118 120.458 120.400 -0.100 0.000 2.133 48 D HA -0.238 4.403 4.640 0.000 0.000 0.195 48 D C 2.212 178.481 176.300 -0.053 0.000 0.997 48 D CA 1.643 55.602 54.000 -0.068 0.000 0.840 48 D CB -0.115 40.643 40.800 -0.070 0.000 0.947 48 D HN 0.413 nan 8.370 nan 0.000 0.452 49 I N 1.345 121.878 120.570 -0.062 0.000 2.142 49 I HA -0.263 3.907 4.170 0.000 0.000 0.240 49 I C 2.564 178.668 176.117 -0.022 0.000 1.078 49 I CA 1.145 62.420 61.300 -0.041 0.000 1.343 49 I CB -0.176 37.796 38.000 -0.047 0.000 1.046 49 I HN -0.079 nan 8.210 nan 0.000 0.405 50 A N 0.459 123.268 122.820 -0.019 0.000 1.972 50 A HA -0.153 4.167 4.320 0.000 0.000 0.219 50 A C 2.246 179.825 177.584 -0.008 0.000 1.169 50 A CA 1.275 53.311 52.037 -0.003 0.000 0.635 50 A CB -0.824 18.180 19.000 0.007 0.000 0.810 50 A HN 0.411 nan 8.150 nan 0.000 0.446 51 L N -1.536 119.675 121.223 -0.020 0.000 2.191 51 L HA -0.052 4.288 4.340 0.000 0.000 0.212 51 L C 2.262 179.124 176.870 -0.013 0.000 1.103 51 L CA 0.981 55.808 54.840 -0.022 0.000 0.769 51 L CB -0.387 41.656 42.059 -0.027 0.000 0.908 51 L HN 0.622 nan 8.230 nan 0.000 0.438 52 G N -0.831 107.964 108.800 -0.009 0.000 2.396 52 G HA2 -0.400 3.560 3.960 0.000 0.000 0.242 52 G HA3 -0.400 3.560 3.960 0.000 0.000 0.242 52 G C 0.953 175.850 174.900 -0.004 0.000 1.069 52 G CA 0.462 45.560 45.100 -0.002 0.000 0.633 52 G HN 0.504 nan 8.290 nan 0.000 0.517 53 A N 0.308 123.123 122.820 -0.007 0.000 2.387 53 A HA 0.619 4.940 4.320 0.000 0.000 0.234 53 A C 2.336 179.915 177.584 -0.009 0.000 1.253 53 A CA 1.616 53.650 52.037 -0.006 0.000 0.894 53 A CB -0.417 18.581 19.000 -0.004 0.000 0.963 53 A HN 2.493 nan 8.150 nan 0.000 0.508 54 G N -2.279 106.513 108.800 -0.014 0.000 2.143 54 G HA2 0.238 4.198 3.960 0.000 0.000 0.249 54 G HA3 0.238 4.198 3.960 0.000 0.000 0.249 54 G C 0.994 175.883 174.900 -0.019 0.000 0.981 54 G CA 0.538 45.627 45.100 -0.017 0.000 0.665 54 G HN 2.218 nan 8.290 nan 0.000 0.528 55 G N -1.608 107.181 108.800 -0.019 0.000 2.345 55 G HA2 0.477 4.437 3.960 0.000 0.000 0.285 55 G HA3 0.477 4.437 3.960 0.000 0.000 0.285 55 G C -0.901 173.990 174.900 -0.016 0.000 1.297 55 G CA -0.489 44.600 45.100 -0.019 0.000 0.875 55 G HN 0.924 nan 8.290 nan 0.000 0.506 56 L N 2.246 123.460 121.223 -0.013 0.000 2.276 56 L HA 0.412 4.752 4.340 0.000 0.000 0.286 56 L C -1.867 175.001 176.870 -0.003 0.000 1.061 56 L CA -1.763 53.071 54.840 -0.009 0.000 0.807 56 L CB 1.516 43.570 42.059 -0.009 0.000 1.177 56 L HN 0.298 nan 8.230 nan 0.000 0.429 57 P HA 0.057 nan 4.420 nan 0.000 0.271 57 P C -0.664 176.642 177.300 0.009 0.000 1.220 57 P CA -0.270 62.834 63.100 0.006 0.000 0.768 57 P CB 0.710 32.416 31.700 0.009 0.000 0.848 58 M N 2.193 121.797 119.600 0.008 0.000 2.217 58 M HA 0.248 4.728 4.480 0.000 0.000 0.354 58 M C 1.633 177.943 176.300 0.016 0.000 1.225 58 M CA 0.541 55.846 55.300 0.009 0.000 1.137 58 M CB -0.516 32.087 32.600 0.005 0.000 1.576 58 M HN 0.832 nan 8.290 nan 0.000 0.461 59 G N 2.416 111.228 108.800 0.020 0.000 2.176 59 G HA2 -0.195 3.765 3.960 0.000 0.000 0.253 59 G HA3 -0.195 3.765 3.960 0.000 0.000 0.253 59 G C 0.355 175.282 174.900 0.045 0.000 0.979 59 G CA -0.129 44.988 45.100 0.029 0.000 0.641 59 G HN 0.546 nan 8.290 nan 0.000 0.530 60 R N -0.712 119.816 120.500 0.046 0.000 2.893 60 R HA 0.808 5.148 4.340 0.000 0.000 0.245 60 R C -0.252 176.100 176.300 0.087 0.000 1.192 60 R CA -0.941 55.198 56.100 0.065 0.000 1.077 60 R CB 0.519 30.848 30.300 0.048 0.000 1.253 60 R HN 0.183 nan 8.270 nan 0.000 0.505 61 I N 0.207 120.850 120.570 0.121 0.000 2.441 61 I HA 0.339 4.509 4.170 0.000 0.000 0.295 61 I C -0.295 175.906 176.117 0.140 0.000 0.994 61 I CA -0.670 60.732 61.300 0.171 0.000 1.144 61 I CB 1.848 39.994 38.000 0.243 0.000 1.314 61 I HN 0.043 nan 8.210 nan 0.000 0.445 62 V N 4.832 124.833 119.914 0.146 0.000 2.588 62 V HA 0.433 4.553 4.120 0.000 0.000 0.304 62 V C -0.347 175.835 176.094 0.145 0.000 1.042 62 V CA -0.734 61.625 62.300 0.099 0.000 0.877 62 V CB 1.857 33.706 31.823 0.043 0.000 0.996 62 V HN 0.756 nan 8.190 nan 0.000 0.425 63 E N 4.228 124.491 120.200 0.105 0.000 2.151 63 E HA 0.622 4.972 4.350 0.000 0.000 0.275 63 E C -1.394 175.223 176.600 0.029 0.000 0.936 63 E CA -0.572 55.902 56.400 0.122 0.000 0.777 63 E CB 1.413 31.191 29.700 0.130 0.000 1.108 63 E HN 0.635 nan 8.360 nan 0.000 0.401 64 I N 5.770 126.368 120.570 0.047 0.000 2.389 64 I HA 0.293 4.463 4.170 0.000 0.000 0.288 64 I C -0.892 175.264 176.117 0.066 0.000 0.999 64 I CA -0.972 60.311 61.300 -0.028 0.000 1.129 64 I CB 0.623 38.627 38.000 0.007 0.000 1.288 64 I HN 0.476 nan 8.210 nan 0.000 0.444 65 Y N 4.259 124.593 120.300 0.057 0.000 2.570 65 Y HA 1.009 5.559 4.550 0.000 0.000 0.345 65 Y C -0.117 175.837 175.900 0.090 0.000 1.014 65 Y CA -1.660 56.479 58.100 0.065 0.000 1.063 65 Y CB 1.722 40.204 38.460 0.036 0.000 1.272 65 Y HN 0.667 nan 8.280 nan 0.000 0.477 66 G N 0.518 109.583 108.800 0.442 0.000 2.316 66 G HA2 0.420 4.380 3.960 0.000 0.000 0.296 66 G HA3 0.420 4.380 3.960 0.000 0.000 0.296 66 G C -3.560 171.572 174.900 0.387 0.000 1.399 66 G CA -1.363 43.946 45.100 0.348 0.000 0.833 66 G HN 0.497 nan 8.290 nan 0.000 0.565 67 P HA 0.248 nan 4.420 nan 0.000 0.269 67 P C -0.156 177.083 177.300 -0.102 0.000 1.217 67 P CA -0.035 63.140 63.100 0.126 0.000 0.783 67 P CB 0.239 31.961 31.700 0.035 0.000 0.898 68 E N 0.582 120.259 120.200 -0.873 0.000 2.502 68 E HA 0.106 4.456 4.350 0.000 0.000 0.261 68 E C 0.453 176.900 176.600 -0.255 0.000 0.974 68 E CA 0.261 56.196 56.400 -0.774 0.000 0.936 68 E CB -0.588 28.503 29.700 -1.015 0.000 0.926 68 E HN 0.298 nan 8.360 nan 0.000 0.459 69 S N 0.452 116.086 115.700 -0.109 0.000 2.981 69 S HA -0.283 4.187 4.470 0.000 0.000 0.274 69 S C 1.444 176.074 174.600 0.050 0.000 1.297 69 S CA 1.183 59.369 58.200 -0.023 0.000 1.266 69 S CB -1.775 61.402 63.200 -0.038 0.000 1.542 69 S HN 0.783 nan 8.310 nan 0.000 0.674 70 S N 0.531 116.263 115.700 0.054 0.000 2.359 70 S HA 0.229 4.699 4.470 0.000 0.000 0.224 70 S C 1.737 176.402 174.600 0.110 0.000 1.035 70 S CA 1.598 59.848 58.200 0.083 0.000 1.018 70 S CB -0.490 62.771 63.200 0.102 0.000 0.876 70 S HN 2.069 nan 8.310 nan 0.000 0.448 71 G N 0.425 109.305 108.800 0.134 0.000 2.215 71 G HA2 -0.089 3.871 3.960 0.000 0.000 0.187 71 G HA3 -0.089 3.871 3.960 0.000 0.000 0.187 71 G C 0.513 175.515 174.900 0.170 0.000 1.039 71 G CA 0.128 45.330 45.100 0.170 0.000 0.771 71 G HN 0.432 nan 8.290 nan 0.000 0.507 72 K N 0.058 120.552 120.400 0.157 0.000 1.978 72 K HA -0.091 4.229 4.320 0.000 0.000 0.214 72 K C 2.577 179.269 176.600 0.153 0.000 1.049 72 K CA 2.153 58.528 56.287 0.147 0.000 0.939 72 K CB -0.431 32.163 32.500 0.156 0.000 0.721 72 K HN 0.235 nan 8.250 nan 0.000 0.441 73 T N 0.965 115.624 114.554 0.176 0.000 2.665 73 T HA -0.178 4.172 4.350 0.000 0.000 0.268 73 T C 1.958 176.792 174.700 0.223 0.000 1.035 73 T CA 2.018 64.252 62.100 0.224 0.000 1.151 73 T CB -0.573 68.439 68.868 0.241 0.000 0.862 73 T HN 0.330 nan 8.240 nan 0.000 0.438 74 T N 2.561 117.246 114.554 0.219 0.000 2.570 74 T HA -0.115 4.235 4.350 0.000 0.000 0.266 74 T C 1.884 176.682 174.700 0.163 0.000 1.071 74 T CA 1.334 63.564 62.100 0.217 0.000 1.172 74 T CB -0.737 68.295 68.868 0.273 0.000 0.864 74 T HN 0.235 nan 8.240 nan 0.000 0.421 75 L N 0.338 121.661 121.223 0.166 0.000 2.013 75 L HA -0.229 4.111 4.340 0.000 0.000 0.212 75 L C 2.698 179.624 176.870 0.093 0.000 1.073 75 L CA 1.832 56.749 54.840 0.129 0.000 0.753 75 L CB -0.904 41.236 42.059 0.136 0.000 0.890 75 L HN 0.339 nan 8.230 nan 0.000 0.432 76 T N 0.473 115.091 114.554 0.107 0.000 2.592 76 T HA -0.305 4.045 4.350 0.000 0.000 0.267 76 T C 1.804 176.573 174.700 0.115 0.000 1.060 76 T CA 2.330 64.489 62.100 0.098 0.000 1.167 76 T CB -0.399 68.547 68.868 0.129 0.000 0.863 76 T HN 0.307 nan 8.240 nan 0.000 0.431 77 L N 0.753 122.065 121.223 0.149 0.000 2.083 77 L HA -0.109 4.231 4.340 0.000 0.000 0.209 77 L C 2.969 179.861 176.870 0.038 0.000 1.083 77 L CA 1.133 56.035 54.840 0.103 0.000 0.752 77 L CB -0.486 41.604 42.059 0.052 0.000 0.899 77 L HN 0.242 nan 8.230 nan 0.000 0.433 78 Q N -0.391 119.428 119.800 0.032 0.000 2.224 78 Q HA -0.140 4.200 4.340 0.000 0.000 0.203 78 Q C 2.399 178.397 176.000 -0.003 0.000 0.970 78 Q CA 1.828 57.634 55.803 0.005 0.000 0.865 78 Q CB -0.256 28.491 28.738 0.015 0.000 0.922 78 Q HN 0.632 nan 8.270 nan 0.000 0.445 79 V N -2.458 117.462 119.914 0.010 0.000 2.719 79 V HA -0.080 4.040 4.120 0.000 0.000 0.252 79 V C 1.993 178.087 176.094 -0.001 0.000 1.065 79 V CA 0.781 63.081 62.300 -0.001 0.000 1.086 79 V CB -0.468 31.355 31.823 0.000 0.000 0.700 79 V HN 0.138 nan 8.190 nan 0.000 0.467 80 I N 1.124 121.703 120.570 0.015 0.000 2.163 80 I HA -0.106 4.064 4.170 0.000 0.000 0.240 80 I C 3.027 179.140 176.117 -0.006 0.000 1.081 80 I CA 1.557 62.867 61.300 0.018 0.000 1.353 80 I CB -0.753 37.282 38.000 0.058 0.000 1.054 80 I HN 0.408 nan 8.210 nan 0.000 0.407 81 A N 1.044 123.852 122.820 -0.019 0.000 1.869 81 A HA -0.272 4.049 4.320 0.000 0.000 0.218 81 A C 2.409 179.963 177.584 -0.050 0.000 1.203 81 A CA 2.368 54.380 52.037 -0.041 0.000 0.638 81 A CB -1.046 17.921 19.000 -0.056 0.000 0.831 81 A HN 0.464 nan 8.150 nan 0.000 0.450 82 A N -1.206 121.582 122.820 -0.054 0.000 2.209 82 A HA 0.393 4.713 4.320 0.000 0.000 0.212 82 A C 2.149 179.706 177.584 -0.045 0.000 1.158 82 A CA 1.546 53.544 52.037 -0.066 0.000 0.742 82 A CB -0.606 18.351 19.000 -0.071 0.000 0.790 82 A HN 0.988 nan 8.150 nan 0.000 0.472 83 A N -0.879 121.922 122.820 -0.031 0.000 1.911 83 A HA 0.001 4.321 4.320 0.000 0.000 0.212 83 A C 1.973 179.543 177.584 -0.023 0.000 1.189 83 A CA 0.994 53.017 52.037 -0.023 0.000 0.639 83 A CB -0.279 18.712 19.000 -0.014 0.000 0.839 83 A HN 0.522 nan 8.150 nan 0.000 0.449 84 Q N -0.977 118.809 119.800 -0.024 0.000 2.369 84 Q HA -0.035 4.305 4.340 0.000 0.000 0.206 84 Q C 1.979 177.960 176.000 -0.032 0.000 0.963 84 Q CA 0.789 56.577 55.803 -0.024 0.000 0.894 84 Q CB -0.006 28.718 28.738 -0.023 0.000 0.965 84 Q HN 0.497 nan 8.270 nan 0.000 0.475 85 R N 0.726 121.200 120.500 -0.042 0.000 2.276 85 R HA -0.044 4.296 4.340 0.000 0.000 0.203 85 R C 0.638 176.911 176.300 -0.045 0.000 1.017 85 R CA 0.858 56.927 56.100 -0.052 0.000 1.010 85 R CB 0.390 30.645 30.300 -0.074 0.000 0.900 85 R HN 0.164 nan 8.270 nan 0.000 0.469 86 E N -1.463 118.716 120.200 -0.036 0.000 2.558 86 E HA 0.193 4.543 4.350 0.000 0.000 0.205 86 E C -0.059 176.528 176.600 -0.021 0.000 1.006 86 E CA 0.266 56.649 56.400 -0.029 0.000 0.961 86 E CB 1.238 30.922 29.700 -0.027 0.000 1.044 86 E HN 0.376 nan 8.360 nan 0.000 0.465 87 G N 2.479 111.266 108.800 -0.021 0.000 2.225 87 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 87 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 87 G C -0.146 174.746 174.900 -0.013 0.000 1.060 87 G CA 0.315 45.405 45.100 -0.016 0.000 0.833 87 G HN 0.104 nan 8.290 nan 0.000 0.498 88 K N 0.146 120.538 120.400 -0.013 0.000 2.208 88 K HA 0.616 4.936 4.320 0.000 0.000 0.247 88 K C 0.136 176.731 176.600 -0.007 0.000 0.953 88 K CA -0.513 55.769 56.287 -0.010 0.000 0.837 88 K CB 1.433 33.927 32.500 -0.010 0.000 1.131 88 K HN 0.167 nan 8.250 nan 0.000 0.431 89 T N 0.305 114.856 114.554 -0.005 0.000 2.837 89 T HA 0.368 4.718 4.350 0.000 0.000 0.285 89 T C -0.168 174.533 174.700 0.001 0.000 0.984 89 T CA -0.703 61.396 62.100 -0.001 0.000 1.049 89 T CB 0.343 69.211 68.868 0.000 0.000 0.947 89 T HN 0.508 nan 8.240 nan 0.000 0.472 90 C N 2.226 121.531 119.300 0.008 0.000 2.456 90 C HA 0.937 5.397 4.460 0.000 0.000 0.325 90 C C 0.533 175.541 174.990 0.030 0.000 1.217 90 C CA -0.935 58.093 59.018 0.016 0.000 1.687 90 C CB 0.548 28.308 27.740 0.032 0.000 2.270 90 C HN 1.119 nan 8.230 nan 0.000 0.499 91 A N 1.804 124.637 122.820 0.022 0.000 2.365 91 A HA 0.886 5.206 4.320 0.000 0.000 0.318 91 A C -1.356 176.259 177.584 0.051 0.000 1.091 91 A CA -0.285 51.773 52.037 0.035 0.000 0.763 91 A CB 0.969 19.965 19.000 -0.005 0.000 1.248 91 A HN 0.833 nan 8.150 nan 0.000 0.442 92 F N 2.749 122.659 119.950 -0.067 0.000 2.529 92 F HA 0.592 5.119 4.527 0.000 0.000 0.320 92 F C -0.734 175.011 175.800 -0.092 0.000 1.118 92 F CA -0.834 57.120 58.000 -0.078 0.000 0.915 92 F CB 1.623 40.587 39.000 -0.059 0.000 1.161 92 F HN 0.373 nan 8.300 nan 0.000 0.445 93 I N 4.612 125.039 120.570 -0.238 0.000 2.412 93 I HA 0.131 4.301 4.170 0.000 0.000 0.279 93 I C -0.194 175.880 176.117 -0.072 0.000 1.063 93 I CA -0.426 60.798 61.300 -0.127 0.000 1.193 93 I CB 0.415 38.289 38.000 -0.211 0.000 1.370 93 I HN 0.516 nan 8.210 nan 0.000 0.479 94 D N 4.838 125.350 120.400 0.187 0.000 2.767 94 D HA 0.251 4.891 4.640 0.000 0.000 0.231 94 D C 1.424 177.643 176.300 -0.135 0.000 1.105 94 D CA 0.080 54.191 54.000 0.183 0.000 1.024 94 D CB 0.655 41.532 40.800 0.128 0.000 1.123 94 D HN 0.588 nan 8.370 nan 0.000 0.470 95 A N 1.802 124.560 122.820 -0.103 0.000 2.019 95 A HA -0.156 4.164 4.320 0.000 0.000 0.219 95 A C 1.987 179.581 177.584 0.016 0.000 1.164 95 A CA 0.922 52.905 52.037 -0.090 0.000 0.644 95 A CB -0.292 18.692 19.000 -0.026 0.000 0.805 95 A HN 0.516 nan 8.150 nan 0.000 0.449 96 E N -1.076 119.123 120.200 -0.003 0.000 2.268 96 E HA -0.139 4.211 4.350 0.000 0.000 0.195 96 E C -0.431 176.262 176.600 0.155 0.000 0.995 96 E CA 0.254 56.658 56.400 0.006 0.000 0.836 96 E CB -0.149 29.526 29.700 -0.041 0.000 0.763 96 E HN 0.689 nan 8.360 nan 0.000 0.491 97 H N -1.962 117.140 119.070 0.054 0.000 2.677 97 H HA -0.200 4.356 4.556 0.000 0.000 0.321 97 H C -0.352 175.003 175.328 0.044 0.000 1.171 97 H CA 0.678 56.760 56.048 0.056 0.000 1.139 97 H CB -1.470 28.330 29.762 0.063 0.000 1.515 97 H HN 0.264 nan 8.280 nan 0.000 0.423 98 A N 0.683 123.562 122.820 0.098 0.000 2.683 98 A HA 0.257 4.577 4.320 0.000 0.000 0.207 98 A C -0.144 177.458 177.584 0.029 0.000 0.945 98 A CA -0.502 51.574 52.037 0.064 0.000 1.233 98 A CB 0.428 19.465 19.000 0.061 0.000 1.227 98 A HN 0.135 nan 8.150 nan 0.000 0.470 99 L N 0.945 122.161 121.223 -0.011 0.000 2.290 99 L HA 0.572 4.912 4.340 0.000 0.000 0.284 99 L C -0.521 176.309 176.870 -0.067 0.000 1.078 99 L CA -0.025 54.759 54.840 -0.094 0.000 0.815 99 L CB 0.933 42.798 42.059 -0.323 0.000 1.162 99 L HN 0.234 nan 8.230 nan 0.000 0.435 100 D N 7.360 127.749 120.400 -0.018 0.000 2.339 100 D HA 0.236 4.876 4.640 0.000 0.000 0.241 100 D C -1.804 174.501 176.300 0.008 0.000 1.183 100 D CA -2.106 51.904 54.000 0.016 0.000 0.859 100 D CB 1.595 42.430 40.800 0.058 0.000 1.067 100 D HN 0.359 nan 8.370 nan 0.000 0.484 101 P HA -0.195 nan 4.420 nan 0.000 0.212 101 P C 1.743 179.041 177.300 -0.004 0.000 1.178 101 P CA 0.891 63.967 63.100 -0.039 0.000 0.915 101 P CB 0.350 32.032 31.700 -0.031 0.000 0.788 102 I N -1.779 118.805 120.570 0.024 0.000 2.185 102 I HA -0.287 3.883 4.170 0.000 0.000 0.246 102 I C 2.737 178.907 176.117 0.089 0.000 1.088 102 I CA 1.716 63.043 61.300 0.045 0.000 1.347 102 I CB -1.316 36.712 38.000 0.048 0.000 1.041 102 I HN -0.106 nan 8.210 nan 0.000 0.415 103 Y N 1.236 121.521 120.300 -0.024 0.000 2.163 103 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 103 Y C 2.519 178.408 175.900 -0.019 0.000 1.136 103 Y CA 1.135 59.229 58.100 -0.011 0.000 1.147 103 Y CB -0.828 37.628 38.460 -0.006 0.000 0.987 103 Y HN 0.131 nan 8.280 nan 0.000 0.509 104 A N 0.683 123.485 122.820 -0.031 0.000 1.940 104 A HA -0.318 4.002 4.320 0.000 0.000 0.221 104 A C 2.458 179.954 177.584 -0.146 0.000 1.190 104 A CA 2.246 54.203 52.037 -0.134 0.000 0.647 104 A CB -0.930 17.995 19.000 -0.126 0.000 0.821 104 A HN 0.529 nan 8.150 nan 0.000 0.457 105 R N -0.252 120.194 120.500 -0.091 0.000 2.081 105 R HA -0.126 4.214 4.340 0.000 0.000 0.235 105 R C 1.919 178.161 176.300 -0.096 0.000 1.131 105 R CA 1.828 57.883 56.100 -0.075 0.000 0.960 105 R CB -0.257 30.021 30.300 -0.038 0.000 0.856 105 R HN 0.544 nan 8.270 nan 0.000 0.436 106 K N 0.254 120.584 120.400 -0.116 0.000 2.442 106 K HA -0.041 4.279 4.320 0.000 0.000 0.198 106 K C 1.516 177.999 176.600 -0.195 0.000 1.042 106 K CA 0.579 56.795 56.287 -0.118 0.000 0.958 106 K CB 0.125 32.598 32.500 -0.045 0.000 0.766 106 K HN 0.272 nan 8.250 nan 0.000 0.474 107 L N -0.554 120.507 121.223 -0.270 0.000 2.607 107 L HA 0.139 4.479 4.340 0.000 0.000 0.228 107 L C 0.908 177.700 176.870 -0.130 0.000 1.123 107 L CA 0.200 54.900 54.840 -0.233 0.000 0.890 107 L CB 0.224 42.101 42.059 -0.303 0.000 1.103 107 L HN 0.374 nan 8.230 nan 0.000 0.468 108 G N 0.495 109.231 108.800 -0.108 0.000 2.132 108 G HA2 -0.225 3.735 3.960 0.000 0.000 0.234 108 G HA3 -0.225 3.735 3.960 0.000 0.000 0.234 108 G C 0.079 174.936 174.900 -0.071 0.000 0.989 108 G CA -0.084 44.968 45.100 -0.080 0.000 0.676 108 G HN 0.092 nan 8.290 nan 0.000 0.522 109 V N 0.632 120.500 119.914 -0.077 0.000 2.546 109 V HA 0.424 4.544 4.120 0.000 0.000 0.284 109 V C 0.432 176.495 176.094 -0.052 0.000 1.050 109 V CA -0.443 61.821 62.300 -0.060 0.000 0.981 109 V CB 1.741 33.524 31.823 -0.068 0.000 0.990 109 V HN 0.268 nan 8.190 nan 0.000 0.474 110 D N 3.904 124.281 120.400 -0.039 0.000 2.435 110 D HA 0.200 4.840 4.640 0.000 0.000 0.230 110 D C 1.128 177.409 176.300 -0.032 0.000 1.215 110 D CA -0.271 53.709 54.000 -0.033 0.000 0.947 110 D CB 0.494 41.279 40.800 -0.026 0.000 1.048 110 D HN 0.281 nan 8.370 nan 0.000 0.512 111 I N 2.111 122.659 120.570 -0.037 0.000 2.208 111 I HA -0.235 3.935 4.170 0.000 0.000 0.245 111 I C 1.551 177.651 176.117 -0.028 0.000 1.097 111 I CA 1.137 62.413 61.300 -0.040 0.000 1.363 111 I CB -0.594 37.383 38.000 -0.039 0.000 1.051 111 I HN 0.354 nan 8.210 nan 0.000 0.413 112 D N 0.543 120.931 120.400 -0.021 0.000 2.219 112 D HA -0.130 4.510 4.640 0.000 0.000 0.205 112 D C 1.623 177.917 176.300 -0.011 0.000 0.970 112 D CA 0.903 54.895 54.000 -0.015 0.000 0.851 112 D CB -0.189 40.604 40.800 -0.013 0.000 0.943 112 D HN 0.300 nan 8.370 nan 0.000 0.488 113 N N -0.060 118.633 118.700 -0.012 0.000 2.205 113 N HA 0.036 4.776 4.740 0.000 0.000 0.201 113 N C -0.114 175.395 175.510 -0.003 0.000 1.128 113 N CA -0.144 52.902 53.050 -0.008 0.000 0.867 113 N CB 0.859 39.340 38.487 -0.009 0.000 0.996 113 N HN 0.140 nan 8.380 nan 0.000 0.503 114 L N 2.179 123.400 121.223 -0.005 0.000 2.265 114 L HA 0.374 4.714 4.340 0.000 0.000 0.288 114 L C -0.372 176.507 176.870 0.015 0.000 1.058 114 L CA -0.216 54.628 54.840 0.006 0.000 0.809 114 L CB 0.431 42.487 42.059 -0.005 0.000 1.179 114 L HN -0.051 nan 8.230 nan 0.000 0.429 115 L N 5.279 126.519 121.223 0.030 0.000 2.416 115 L HA 0.190 4.530 4.340 0.000 0.000 0.272 115 L C -0.167 176.740 176.870 0.062 0.000 1.161 115 L CA 0.026 54.886 54.840 0.035 0.000 0.845 115 L CB 1.258 43.335 42.059 0.030 0.000 1.119 115 L HN 0.757 nan 8.230 nan 0.000 0.464 116 C N 3.435 122.764 119.300 0.048 0.000 2.481 116 C HA 0.617 5.077 4.460 0.000 0.000 0.324 116 C C -0.194 174.822 174.990 0.043 0.000 1.170 116 C CA -0.458 58.599 59.018 0.065 0.000 1.361 116 C CB 1.367 29.112 27.740 0.008 0.000 1.977 116 C HN 0.805 nan 8.230 nan 0.000 0.459 117 S N 4.286 120.016 115.700 0.050 0.000 2.502 117 S HA 0.542 5.012 4.470 0.000 0.000 0.304 117 S C -0.908 173.666 174.600 -0.044 0.000 1.097 117 S CA -0.271 57.929 58.200 -0.001 0.000 1.045 117 S CB 1.223 64.408 63.200 -0.025 0.000 1.019 117 S HN 0.868 nan 8.310 nan 0.000 0.481 118 Q N 4.827 124.583 119.800 -0.072 0.000 2.636 118 Q HA 0.325 4.665 4.340 0.000 0.000 0.233 118 Q C -2.344 173.611 176.000 -0.074 0.000 1.143 118 Q CA -1.967 53.717 55.803 -0.199 0.000 0.969 118 Q CB 1.176 29.824 28.738 -0.149 0.000 1.185 118 Q HN 0.539 nan 8.270 nan 0.000 0.546 119 P HA 0.030 nan 4.420 nan 0.000 0.275 119 P C -0.278 177.059 177.300 0.061 0.000 1.228 119 P CA -0.146 62.923 63.100 -0.053 0.000 0.786 119 P CB 1.456 33.081 31.700 -0.126 0.000 0.927 120 D N 0.228 120.648 120.400 0.034 0.000 2.085 120 D HA -0.051 4.589 4.640 0.000 0.000 0.199 120 D C 1.000 177.325 176.300 0.040 0.000 0.981 120 D CA 1.702 55.742 54.000 0.066 0.000 0.834 120 D CB -0.486 40.337 40.800 0.039 0.000 0.992 120 D HN 0.496 nan 8.370 nan 0.000 0.457 121 T N -2.520 112.022 114.554 -0.019 0.000 2.929 121 T HA 0.504 4.854 4.350 0.000 0.000 0.284 121 T C 1.365 176.036 174.700 -0.047 0.000 1.014 121 T CA -0.351 61.734 62.100 -0.025 0.000 1.051 121 T CB 2.025 70.876 68.868 -0.028 0.000 1.028 121 T HN 0.005 nan 8.240 nan 0.000 0.485 122 G N 0.987 109.775 108.800 -0.021 0.000 2.418 122 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 122 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 122 G C 1.142 176.018 174.900 -0.040 0.000 1.158 122 G CA 0.718 45.807 45.100 -0.018 0.000 0.771 122 G HN 0.816 nan 8.290 nan 0.000 0.545 123 E N 0.088 120.266 120.200 -0.037 0.000 2.048 123 E HA -0.217 4.133 4.350 0.000 0.000 0.202 123 E C 2.410 178.952 176.600 -0.097 0.000 1.021 123 E CA 1.613 57.994 56.400 -0.031 0.000 0.825 123 E CB -0.340 29.361 29.700 0.002 0.000 0.756 123 E HN 0.610 nan 8.360 nan 0.000 0.454 124 Q N 0.067 119.739 119.800 -0.213 0.000 2.029 124 Q HA -0.318 4.022 4.340 0.000 0.000 0.209 124 Q C 2.179 177.928 176.000 -0.418 0.000 0.999 124 Q CA 2.157 57.608 55.803 -0.586 0.000 0.857 124 Q CB -0.344 28.020 28.738 -0.624 0.000 0.926 124 Q HN 0.329 nan 8.270 nan 0.000 0.415 125 A N 0.294 122.974 122.820 -0.234 0.000 1.903 125 A HA -0.235 4.085 4.320 0.000 0.000 0.219 125 A C 2.044 179.565 177.584 -0.105 0.000 1.191 125 A CA 1.944 53.891 52.037 -0.150 0.000 0.638 125 A CB -0.839 18.112 19.000 -0.082 0.000 0.823 125 A HN 0.477 nan 8.150 nan 0.000 0.451 126 L N -1.448 119.740 121.223 -0.059 0.000 2.068 126 L HA -0.070 4.270 4.340 0.000 0.000 0.204 126 L C 2.610 179.481 176.870 0.002 0.000 1.076 126 L CA 1.030 55.868 54.840 -0.003 0.000 0.753 126 L CB -0.505 41.572 42.059 0.030 0.000 0.910 126 L HN 0.276 nan 8.230 nan 0.000 0.439 127 E N 0.517 120.720 120.200 0.006 0.000 2.171 127 E HA -0.231 4.119 4.350 0.000 0.000 0.197 127 E C 2.190 178.850 176.600 0.099 0.000 0.997 127 E CA 1.381 57.836 56.400 0.091 0.000 0.810 127 E CB -0.140 29.700 29.700 0.233 0.000 0.738 127 E HN 0.511 nan 8.360 nan 0.000 0.467 128 I N -0.278 120.299 120.570 0.012 0.000 2.202 128 I HA -0.308 3.862 4.170 0.000 0.000 0.242 128 I C 2.632 178.754 176.117 0.009 0.000 1.091 128 I CA 0.611 61.925 61.300 0.023 0.000 1.368 128 I CB -0.314 37.654 38.000 -0.054 0.000 1.058 128 I HN 0.125 nan 8.210 nan 0.000 0.410 129 C N 0.535 119.822 119.300 -0.023 0.000 2.398 129 C HA -0.239 4.221 4.460 0.000 0.000 0.276 129 C C 2.588 177.581 174.990 0.005 0.000 1.222 129 C CA 1.411 60.410 59.018 -0.031 0.000 1.746 129 C CB -0.998 26.716 27.740 -0.043 0.000 2.039 129 C HN 0.545 nan 8.230 nan 0.000 0.470 130 D N 0.410 120.827 120.400 0.028 0.000 2.106 130 D HA -0.123 4.517 4.640 0.000 0.000 0.191 130 D C 2.182 178.505 176.300 0.039 0.000 0.997 130 D CA 1.931 55.954 54.000 0.039 0.000 0.834 130 D CB -0.247 40.583 40.800 0.050 0.000 0.956 130 D HN 0.421 nan 8.370 nan 0.000 0.448 131 A N -0.317 122.535 122.820 0.053 0.000 2.015 131 A HA -0.050 4.270 4.320 0.000 0.000 0.219 131 A C 2.358 179.963 177.584 0.035 0.000 1.163 131 A CA 0.823 52.891 52.037 0.052 0.000 0.646 131 A CB -0.575 18.471 19.000 0.078 0.000 0.806 131 A HN 0.349 nan 8.150 nan 0.000 0.448 132 L N -1.243 119.995 121.223 0.026 0.000 2.179 132 L HA -0.067 4.273 4.340 0.000 0.000 0.208 132 L C 3.016 179.891 176.870 0.008 0.000 1.096 132 L CA 0.758 55.606 54.840 0.013 0.000 0.779 132 L CB -0.502 41.556 42.059 -0.002 0.000 0.922 132 L HN 0.422 nan 8.230 nan 0.000 0.443 133 A N 0.203 123.029 122.820 0.010 0.000 1.841 133 A HA -0.177 4.143 4.320 0.000 0.000 0.214 133 A C 2.376 179.970 177.584 0.017 0.000 1.195 133 A CA 1.179 53.224 52.037 0.013 0.000 0.611 133 A CB -0.529 18.482 19.000 0.020 0.000 0.835 133 A HN 0.216 nan 8.150 nan 0.000 0.443 134 R N 0.232 120.745 120.500 0.022 0.000 2.154 134 R HA -0.174 4.166 4.340 0.000 0.000 0.248 134 R C 2.556 178.866 176.300 0.017 0.000 1.155 134 R CA 1.812 57.925 56.100 0.021 0.000 0.979 134 R CB -0.394 29.920 30.300 0.024 0.000 0.869 134 R HN 0.761 nan 8.270 nan 0.000 0.452 135 S N -1.150 114.560 115.700 0.016 0.000 2.402 135 S HA -0.037 4.433 4.470 0.000 0.000 0.229 135 S C 1.613 176.220 174.600 0.011 0.000 1.021 135 S CA 0.975 59.183 58.200 0.013 0.000 0.974 135 S CB -0.020 63.188 63.200 0.014 0.000 0.800 135 S HN 0.521 nan 8.310 nan 0.000 0.484 136 G N 0.761 109.568 108.800 0.010 0.000 2.166 136 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 136 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 136 G C 0.843 175.746 174.900 0.006 0.000 0.986 136 G CA 0.421 45.526 45.100 0.008 0.000 0.683 136 G HN 1.280 nan 8.290 nan 0.000 0.527 137 A N -1.070 121.753 122.820 0.006 0.000 1.984 137 A HA 0.611 4.931 4.320 0.000 0.000 0.214 137 A C 1.282 178.867 177.584 0.002 0.000 1.173 137 A CA 1.438 53.477 52.037 0.005 0.000 0.673 137 A CB 0.313 19.317 19.000 0.006 0.000 0.830 137 A HN 1.025 nan 8.150 nan 0.000 0.453 138 V N 1.119 121.034 119.914 0.001 0.000 2.509 138 V HA 0.175 4.295 4.120 0.000 0.000 0.284 138 V C 0.410 176.501 176.094 -0.006 0.000 1.047 138 V CA -0.341 61.957 62.300 -0.004 0.000 0.952 138 V CB 1.420 33.238 31.823 -0.008 0.000 0.988 138 V HN 0.371 nan 8.190 nan 0.000 0.469 139 D N 1.734 122.129 120.400 -0.007 0.000 2.262 139 D HA 0.077 4.717 4.640 0.000 0.000 0.212 139 D C 0.235 176.526 176.300 -0.014 0.000 0.964 139 D CA 1.107 55.103 54.000 -0.008 0.000 0.875 139 D CB 1.214 42.010 40.800 -0.007 0.000 0.996 139 D HN 0.344 nan 8.370 nan 0.000 0.497 140 V N 1.458 121.359 119.914 -0.020 0.000 2.567 140 V HA 0.373 4.493 4.120 0.000 0.000 0.298 140 V C -1.328 174.733 176.094 -0.055 0.000 1.047 140 V CA -0.684 61.595 62.300 -0.035 0.000 0.880 140 V CB 1.402 33.208 31.823 -0.028 0.000 1.009 140 V HN -0.128 nan 8.190 nan 0.000 0.429 141 I N 6.601 127.115 120.570 -0.093 0.000 2.460 141 I HA 0.643 4.813 4.170 0.000 0.000 0.298 141 I C -0.355 175.615 176.117 -0.244 0.000 0.989 141 I CA -0.880 60.331 61.300 -0.150 0.000 1.173 141 I CB 1.892 39.794 38.000 -0.163 0.000 1.338 141 I HN 0.457 nan 8.210 nan 0.000 0.456 142 V N 6.899 126.615 119.914 -0.330 0.000 2.735 142 V HA 0.571 4.691 4.120 0.000 0.000 0.310 142 V C -0.886 174.806 176.094 -0.670 0.000 1.061 142 V CA -0.474 61.537 62.300 -0.482 0.000 0.913 142 V CB 2.389 33.944 31.823 -0.446 0.000 1.005 142 V HN 0.429 nan 8.190 nan 0.000 0.428 143 V N 5.159 124.682 119.914 -0.653 0.000 2.349 143 V HA 0.393 4.513 4.120 0.000 0.000 0.284 143 V C -0.459 175.407 176.094 -0.380 0.000 1.014 143 V CA -0.613 61.358 62.300 -0.548 0.000 0.826 143 V CB 1.465 32.939 31.823 -0.582 0.000 1.009 143 V HN 0.905 nan 8.190 nan 0.000 0.431 144 D N 3.616 123.779 120.400 -0.395 0.000 2.383 144 D HA 0.292 4.932 4.640 0.000 0.000 0.245 144 D C 0.118 176.380 176.300 -0.064 0.000 1.263 144 D CA 0.875 54.782 54.000 -0.154 0.000 0.936 144 D CB 0.310 41.144 40.800 0.057 0.000 1.053 144 D HN 0.677 nan 8.370 nan 0.000 0.507 145 S N 1.009 116.693 115.700 -0.027 0.000 3.600 145 S HA -0.149 4.321 4.470 0.000 0.000 0.695 145 S C 1.190 175.808 174.600 0.030 0.000 0.535 145 S CA 0.315 58.506 58.200 -0.016 0.000 1.453 145 S CB -1.249 61.891 63.200 -0.101 0.000 0.928 145 S HN 0.501 nan 8.310 nan 0.000 1.029 146 V N 1.761 121.729 119.914 0.090 0.000 2.490 146 V HA -0.066 4.054 4.120 0.000 0.000 0.250 146 V C 2.276 178.399 176.094 0.048 0.000 1.061 146 V CA 2.363 64.725 62.300 0.104 0.000 1.064 146 V CB -0.962 30.910 31.823 0.082 0.000 0.670 146 V HN 1.497 nan 8.190 nan 0.000 0.461 147 A N 0.043 122.877 122.820 0.023 0.000 2.186 147 A HA 0.266 4.586 4.320 0.000 0.000 0.219 147 A C 2.143 179.813 177.584 0.144 0.000 1.159 147 A CA 1.792 53.855 52.037 0.045 0.000 0.680 147 A CB -0.695 18.301 19.000 -0.006 0.000 0.787 147 A HN 1.286 nan 8.150 nan 0.000 0.467 148 A N -1.483 121.403 122.820 0.111 0.000 2.508 148 A HA 0.517 4.837 4.320 0.000 0.000 0.257 148 A C 0.229 177.882 177.584 0.115 0.000 1.226 148 A CA -0.291 51.848 52.037 0.170 0.000 0.947 148 A CB 0.067 19.134 19.000 0.112 0.000 1.079 148 A HN 0.226 nan 8.150 nan 0.000 0.531 149 L N 2.664 123.933 121.223 0.076 0.000 2.391 149 L HA 0.178 4.518 4.340 0.000 0.000 0.249 149 L C 0.131 177.023 176.870 0.037 0.000 1.308 149 L CA 0.633 55.504 54.840 0.051 0.000 1.209 149 L CB -0.801 41.287 42.059 0.049 0.000 1.401 149 L HN 0.141 nan 8.230 nan 0.000 0.416 150 T N 2.345 116.925 114.554 0.044 0.000 2.814 150 T HA 0.247 4.597 4.350 0.000 0.000 0.297 150 T C -2.229 172.466 174.700 -0.008 0.000 0.956 150 T CA -1.182 60.928 62.100 0.018 0.000 1.123 150 T CB 0.474 69.354 68.868 0.021 0.000 0.902 150 T HN 0.142 nan 8.240 nan 0.000 0.528 151 P HA 0.152 nan 4.420 nan 0.000 0.269 151 P C 0.974 178.242 177.300 -0.053 0.000 1.215 151 P CA -0.539 62.539 63.100 -0.037 0.000 0.780 151 P CB 0.788 32.463 31.700 -0.042 0.000 0.898 152 K N 2.646 123.026 120.400 -0.033 0.000 2.000 152 K HA -0.276 4.044 4.320 0.000 0.000 0.218 152 K C 1.917 178.482 176.600 -0.057 0.000 1.053 152 K CA 2.270 58.541 56.287 -0.026 0.000 0.946 152 K CB -0.899 31.601 32.500 -0.000 0.000 0.723 152 K HN 0.464 nan 8.250 nan 0.000 0.446 153 A N 0.967 123.749 122.820 -0.063 0.000 1.958 153 A HA -0.302 4.018 4.320 0.000 0.000 0.221 153 A C 2.010 179.443 177.584 -0.251 0.000 1.178 153 A CA 2.284 54.266 52.037 -0.091 0.000 0.642 153 A CB -0.692 18.284 19.000 -0.039 0.000 0.816 153 A HN 0.645 nan 8.150 nan 0.000 0.453 154 E N -0.501 119.494 120.200 -0.343 0.000 2.106 154 E HA -0.125 4.226 4.350 0.000 0.000 0.192 154 E C 1.771 178.220 176.600 -0.252 0.000 0.984 154 E CA 1.233 57.315 56.400 -0.530 0.000 0.806 154 E CB -0.190 29.303 29.700 -0.346 0.000 0.750 154 E HN 0.731 nan 8.360 nan 0.000 0.458 155 I N 0.436 120.927 120.570 -0.132 0.000 2.333 155 I HA -0.143 4.027 4.170 0.000 0.000 0.246 155 I C 2.121 178.216 176.117 -0.037 0.000 1.106 155 I CA 1.016 62.281 61.300 -0.060 0.000 1.411 155 I CB -0.132 37.850 38.000 -0.030 0.000 1.082 155 I HN 0.012 nan 8.210 nan 0.000 0.420 156 E N 0.987 121.164 120.200 -0.038 0.000 2.435 156 E HA 0.064 4.414 4.350 0.000 0.000 0.195 156 E C 1.226 177.828 176.600 0.003 0.000 1.029 156 E CA 0.091 56.486 56.400 -0.010 0.000 0.865 156 E CB 0.142 29.842 29.700 -0.001 0.000 0.833 156 E HN 0.510 nan 8.360 nan 0.000 0.510 157 G N 0.463 109.256 108.800 -0.011 0.000 2.535 157 G HA2 0.165 4.125 3.960 0.000 0.000 0.303 157 G HA3 0.165 4.125 3.960 0.000 0.000 0.303 157 G C -0.190 174.761 174.900 0.086 0.000 1.237 157 G CA -0.582 44.558 45.100 0.066 0.000 0.986 157 G HN -0.007 nan 8.290 nan 0.000 0.494 158 E N -1.253 119.035 120.200 0.146 0.000 2.397 158 E HA 0.148 4.498 4.350 0.000 0.000 0.254 158 E C -0.103 176.592 176.600 0.158 0.000 1.231 158 E CA -0.084 56.399 56.400 0.137 0.000 0.954 158 E CB 1.080 30.860 29.700 0.133 0.000 1.024 158 E HN 0.186 nan 8.360 nan 0.000 0.481 159 I N 0.969 121.615 120.570 0.127 0.000 2.301 159 I HA 0.197 4.367 4.170 0.000 0.000 0.292 159 I C 0.990 177.161 176.117 0.091 0.000 1.046 159 I CA 0.516 61.878 61.300 0.102 0.000 1.282 159 I CB 0.644 38.684 38.000 0.066 0.000 1.409 159 I HN 0.831 nan 8.210 nan 0.000 0.484 160 G N 4.400 113.250 108.800 0.083 0.000 3.006 160 G HA2 -0.171 3.789 3.960 0.000 0.000 0.195 160 G HA3 -0.171 3.789 3.960 0.000 0.000 0.195 160 G C 0.245 175.140 174.900 -0.008 0.000 1.034 160 G CA -0.605 44.517 45.100 0.036 0.000 0.807 160 G HN 0.475 nan 8.290 nan 0.000 0.469 161 D N 1.061 121.441 120.400 -0.033 0.000 2.278 161 D HA 0.384 5.024 4.640 0.000 0.000 0.240 161 D C 0.769 176.869 176.300 -0.333 0.000 1.347 161 D CA 1.231 55.103 54.000 -0.213 0.000 0.945 161 D CB 0.453 41.040 40.800 -0.355 0.000 1.175 161 D HN 0.374 nan 8.370 nan 0.000 0.519 162 S N 0.170 115.622 115.700 -0.414 0.000 2.457 162 S HA 0.226 4.696 4.470 0.000 0.000 0.216 162 S C -0.212 174.179 174.600 -0.348 0.000 1.392 162 S CA -0.840 57.182 58.200 -0.296 0.000 1.102 162 S CB -0.064 63.052 63.200 -0.139 0.000 1.114 162 S HN 0.322 nan 8.310 nan 0.000 0.484 163 H N 2.592 121.664 119.070 0.004 0.000 2.423 163 H HA 0.286 4.842 4.556 0.000 0.000 0.227 163 H C -0.373 174.955 175.328 0.000 0.000 1.596 163 H CA -0.704 55.346 56.048 0.003 0.000 1.207 163 H CB -0.077 29.688 29.762 0.005 0.000 1.595 163 H HN 0.405 nan 8.280 nan 0.000 0.534 164 M N 0.815 120.449 119.600 0.057 0.000 2.143 164 M HA 0.177 4.657 4.480 0.000 0.000 0.348 164 M C 1.195 177.514 176.300 0.033 0.000 1.375 164 M CA 0.194 55.515 55.300 0.036 0.000 1.124 164 M CB 0.634 33.238 32.600 0.006 0.000 1.669 164 M HN 0.781 nan 8.290 nan 0.000 0.469 165 G N 3.472 112.290 108.800 0.031 0.000 2.305 165 G HA2 -0.260 3.700 3.960 0.000 0.000 0.287 165 G HA3 -0.260 3.700 3.960 0.000 0.000 0.287 165 G C 0.781 175.693 174.900 0.021 0.000 1.036 165 G CA 0.492 45.603 45.100 0.018 0.000 0.887 165 G HN 0.763 nan 8.290 nan 0.000 0.505 166 L N -0.720 120.527 121.223 0.040 0.000 2.156 166 L HA 0.184 4.524 4.340 0.000 0.000 0.208 166 L C 3.093 179.970 176.870 0.011 0.000 1.095 166 L CA 1.923 56.784 54.840 0.034 0.000 0.770 166 L CB -0.402 41.694 42.059 0.061 0.000 0.914 166 L HN 0.469 nan 8.230 nan 0.000 0.439 167 A N 0.016 122.841 122.820 0.009 0.000 1.873 167 A HA -0.309 4.011 4.320 0.000 0.000 0.218 167 A C 2.435 180.007 177.584 -0.019 0.000 1.193 167 A CA 2.161 54.196 52.037 -0.005 0.000 0.629 167 A CB -1.027 17.972 19.000 -0.001 0.000 0.826 167 A HN 0.530 nan 8.150 nan 0.000 0.447 168 A N 0.476 123.286 122.820 -0.018 0.000 1.858 168 A HA -0.193 4.127 4.320 0.000 0.000 0.216 168 A C 2.245 179.806 177.584 -0.040 0.000 1.190 168 A CA 2.031 54.050 52.037 -0.031 0.000 0.617 168 A CB -0.620 18.368 19.000 -0.020 0.000 0.827 168 A HN 0.722 nan 8.150 nan 0.000 0.443 169 R N -0.585 119.899 120.500 -0.026 0.000 2.193 169 R HA -0.042 4.298 4.340 0.000 0.000 0.229 169 R C 1.989 178.267 176.300 -0.037 0.000 1.110 169 R CA 1.639 57.721 56.100 -0.029 0.000 0.988 169 R CB -0.479 29.812 30.300 -0.015 0.000 0.871 169 R HN 0.567 nan 8.270 nan 0.000 0.458 170 M N 0.145 119.725 119.600 -0.034 0.000 2.123 170 M HA -0.073 4.407 4.480 0.000 0.000 0.263 170 M C 1.930 178.191 176.300 -0.064 0.000 1.069 170 M CA 1.331 56.609 55.300 -0.036 0.000 1.133 170 M CB 0.037 32.623 32.600 -0.023 0.000 1.356 170 M HN 0.224 nan 8.290 nan 0.000 0.415 171 M N -0.427 119.123 119.600 -0.083 0.000 2.080 171 M HA -0.197 4.283 4.480 0.000 0.000 0.260 171 M C 2.419 178.607 176.300 -0.187 0.000 1.068 171 M CA 1.754 56.970 55.300 -0.141 0.000 1.109 171 M CB -1.383 31.124 32.600 -0.155 0.000 1.342 171 M HN 0.361 nan 8.290 nan 0.000 0.405 172 S N -0.387 115.224 115.700 -0.148 0.000 2.419 172 S HA -0.176 4.294 4.470 0.000 0.000 0.233 172 S C 1.849 176.348 174.600 -0.167 0.000 1.016 172 S CA 1.248 59.346 58.200 -0.169 0.000 0.974 172 S CB -0.125 63.018 63.200 -0.094 0.000 0.786 172 S HN 0.517 nan 8.310 nan 0.000 0.492 173 Q N -0.251 119.481 119.800 -0.114 0.000 2.137 173 Q HA 0.049 4.389 4.340 0.000 0.000 0.198 173 Q C 2.195 178.136 176.000 -0.098 0.000 0.960 173 Q CA 1.027 56.781 55.803 -0.081 0.000 0.847 173 Q CB -0.286 28.426 28.738 -0.044 0.000 0.915 173 Q HN 0.657 nan 8.270 nan 0.000 0.448 174 A N 0.872 123.622 122.820 -0.117 0.000 1.855 174 A HA -0.171 4.149 4.320 0.000 0.000 0.215 174 A C 2.033 179.521 177.584 -0.161 0.000 1.191 174 A CA 1.273 53.254 52.037 -0.094 0.000 0.613 174 A CB -0.432 18.532 19.000 -0.061 0.000 0.829 174 A HN 0.328 nan 8.150 nan 0.000 0.442 175 M N -0.639 118.751 119.600 -0.349 0.000 2.082 175 M HA -0.190 4.290 4.480 0.000 0.000 0.258 175 M C 2.161 178.161 176.300 -0.500 0.000 1.071 175 M CA 1.921 56.827 55.300 -0.658 0.000 1.103 175 M CB -1.461 30.281 32.600 -1.430 0.000 1.307 175 M HN 0.500 nan 8.290 nan 0.000 0.409 176 R N 0.282 120.539 120.500 -0.406 0.000 2.159 176 R HA -0.245 4.095 4.340 0.000 0.000 0.249 176 R C 2.246 178.568 176.300 0.038 0.000 1.136 176 R CA 2.341 58.426 56.100 -0.025 0.000 0.951 176 R CB -0.141 30.150 30.300 -0.014 0.000 0.876 176 R HN 0.412 nan 8.270 nan 0.000 0.440 177 K N -0.140 120.253 120.400 -0.011 0.000 2.031 177 K HA -0.088 4.232 4.320 0.000 0.000 0.205 177 K C 2.209 178.834 176.600 0.041 0.000 1.049 177 K CA 1.254 57.554 56.287 0.021 0.000 0.939 177 K CB -0.117 32.390 32.500 0.011 0.000 0.717 177 K HN 0.171 nan 8.250 nan 0.000 0.438 178 L N 0.651 121.893 121.223 0.033 0.000 2.027 178 L HA -0.162 4.178 4.340 0.000 0.000 0.206 178 L C 2.591 179.516 176.870 0.092 0.000 1.074 178 L CA 1.060 55.937 54.840 0.062 0.000 0.745 178 L CB -0.567 41.538 42.059 0.077 0.000 0.898 178 L HN 0.212 nan 8.230 nan 0.000 0.433 179 A N 0.357 123.262 122.820 0.141 0.000 1.927 179 A HA -0.220 4.100 4.320 0.000 0.000 0.220 179 A C 2.365 180.015 177.584 0.110 0.000 1.185 179 A CA 2.080 54.220 52.037 0.172 0.000 0.639 179 A CB -1.408 17.764 19.000 0.286 0.000 0.820 179 A HN 0.477 nan 8.150 nan 0.000 0.451 180 G N -0.290 108.567 108.800 0.096 0.000 2.453 180 G HA2 -0.293 3.667 3.960 0.000 0.000 0.215 180 G HA3 -0.293 3.667 3.960 0.000 0.000 0.215 180 G C 1.385 176.315 174.900 0.051 0.000 1.201 180 G CA 1.042 46.181 45.100 0.065 0.000 0.784 180 G HN 0.729 nan 8.290 nan 0.000 0.545 181 N N 0.013 118.742 118.700 0.050 0.000 2.443 181 N HA 0.025 4.765 4.740 0.000 0.000 0.184 181 N C 2.104 177.636 175.510 0.038 0.000 1.037 181 N CA 0.140 53.213 53.050 0.039 0.000 0.896 181 N CB -0.056 38.453 38.487 0.037 0.000 0.959 181 N HN 0.270 nan 8.380 nan 0.000 0.442 182 L N 0.418 121.670 121.223 0.049 0.000 2.102 182 L HA -0.056 4.284 4.340 0.000 0.000 0.202 182 L C 2.411 179.304 176.870 0.038 0.000 1.076 182 L CA 0.832 55.699 54.840 0.045 0.000 0.761 182 L CB -0.164 41.933 42.059 0.063 0.000 0.921 182 L HN 0.002 nan 8.230 nan 0.000 0.444 183 K N 0.643 121.068 120.400 0.042 0.000 2.057 183 K HA -0.167 4.153 4.320 0.000 0.000 0.206 183 K C 1.955 178.570 176.600 0.025 0.000 1.050 183 K CA 1.537 57.844 56.287 0.033 0.000 0.935 183 K CB -0.136 32.384 32.500 0.034 0.000 0.715 183 K HN 0.186 nan 8.250 nan 0.000 0.439 184 Q N -0.537 119.278 119.800 0.025 0.000 2.482 184 Q HA 0.092 4.432 4.340 0.000 0.000 0.209 184 Q C 0.486 176.496 176.000 0.017 0.000 0.961 184 Q CA 0.727 56.542 55.803 0.020 0.000 0.945 184 Q CB 0.376 29.126 28.738 0.020 0.000 1.012 184 Q HN 0.172 nan 8.270 nan 0.000 0.515 185 S N -0.292 115.419 115.700 0.018 0.000 2.603 185 S HA 0.068 4.538 4.470 0.000 0.000 0.232 185 S C 0.205 174.812 174.600 0.012 0.000 1.016 185 S CA -0.321 57.887 58.200 0.014 0.000 0.976 185 S CB 0.361 63.570 63.200 0.015 0.000 0.921 185 S HN 0.421 nan 8.310 nan 0.000 0.516 186 N N 2.357 121.065 118.700 0.014 0.000 2.701 186 N HA -0.144 4.596 4.740 0.000 0.000 0.250 186 N C -1.041 174.474 175.510 0.009 0.000 1.046 186 N CA 0.915 53.972 53.050 0.012 0.000 0.733 186 N CB -1.245 37.247 38.487 0.009 0.000 0.973 186 N HN 0.269 nan 8.380 nan 0.000 0.541 187 T N 0.888 115.449 114.554 0.011 0.000 2.728 187 T HA 0.363 4.713 4.350 0.000 0.000 0.296 187 T C 0.227 174.929 174.700 0.004 0.000 0.940 187 T CA -0.632 61.470 62.100 0.003 0.000 1.013 187 T CB 1.037 69.905 68.868 0.001 0.000 0.912 187 T HN 0.275 nan 8.240 nan 0.000 0.484 188 L N 5.229 126.449 121.223 -0.005 0.000 2.319 188 L HA 0.531 4.871 4.340 0.000 0.000 0.280 188 L C -0.819 176.034 176.870 -0.029 0.000 1.099 188 L CA -0.193 54.645 54.840 -0.005 0.000 0.828 188 L CB 0.260 42.314 42.059 -0.007 0.000 1.150 188 L HN 0.609 nan 8.230 nan 0.000 0.442 189 L N 6.651 127.864 121.223 -0.016 0.000 2.305 189 L HA 0.538 4.878 4.340 0.000 0.000 0.284 189 L C -0.803 176.026 176.870 -0.067 0.000 1.013 189 L CA -0.432 54.361 54.840 -0.078 0.000 0.819 189 L CB 1.253 43.291 42.059 -0.034 0.000 1.227 189 L HN 0.672 nan 8.230 nan 0.000 0.417 190 I N 4.152 124.614 120.570 -0.180 0.000 2.377 190 I HA 0.316 4.486 4.170 0.000 0.000 0.293 190 I C -0.896 175.052 176.117 -0.281 0.000 0.987 190 I CA -0.322 60.904 61.300 -0.123 0.000 1.185 190 I CB 1.495 39.434 38.000 -0.102 0.000 1.341 190 I HN 0.377 nan 8.210 nan 0.000 0.455 191 F N 6.235 126.152 119.950 -0.053 0.000 2.427 191 F HA 0.515 5.043 4.527 0.000 0.000 0.346 191 F C 0.251 176.030 175.800 -0.035 0.000 1.120 191 F CA -0.489 57.477 58.000 -0.056 0.000 1.033 191 F CB 1.295 40.279 39.000 -0.028 0.000 1.126 191 F HN 0.185 nan 8.300 nan 0.000 0.462 192 I N 3.201 123.829 120.570 0.097 0.000 2.440 192 I HA 0.292 4.462 4.170 0.000 0.000 0.294 192 I C -0.252 175.940 176.117 0.126 0.000 0.995 192 I CA -0.213 61.143 61.300 0.094 0.000 1.306 192 I CB 1.362 39.387 38.000 0.042 0.000 1.407 192 I HN 0.655 nan 8.210 nan 0.000 0.501 193 N N 3.392 122.172 118.700 0.133 0.000 2.416 193 N HA 0.385 5.125 4.740 0.000 0.000 0.276 193 N C -1.486 174.048 175.510 0.040 0.000 1.261 193 N CA -0.713 52.385 53.050 0.080 0.000 0.790 193 N CB 1.937 40.479 38.487 0.092 0.000 1.554 193 N HN 0.554 nan 8.380 nan 0.000 0.481 194 Q N 0.771 120.486 119.800 -0.142 0.000 2.195 194 Q HA 0.515 4.855 4.340 0.000 0.000 0.250 194 Q C -0.570 175.236 176.000 -0.324 0.000 0.988 194 Q CA -0.696 54.848 55.803 -0.433 0.000 0.911 194 Q CB 2.057 30.175 28.738 -1.033 0.000 1.258 194 Q HN 0.464 nan 8.270 nan 0.000 0.475 195 I N 1.535 121.917 120.570 -0.314 0.000 2.385 195 I HA 0.378 4.549 4.170 0.000 0.000 0.294 195 I C -0.087 175.958 176.117 -0.119 0.000 0.988 195 I CA -0.604 60.639 61.300 -0.095 0.000 1.265 195 I CB 0.663 38.749 38.000 0.145 0.000 1.388 195 I HN 0.335 nan 8.210 nan 0.000 0.480 196 R N 5.288 125.733 120.500 -0.092 0.000 2.771 196 R HA 0.609 4.949 4.340 0.000 0.000 0.274 196 R C -1.333 174.953 176.300 -0.023 0.000 0.987 196 R CA -1.249 54.824 56.100 -0.046 0.000 0.908 196 R CB 2.111 32.373 30.300 -0.063 0.000 1.213 196 R HN 0.446 nan 8.270 nan 0.000 0.468 197 M N 2.358 121.958 119.600 0.001 0.000 2.149 197 M HA 0.299 4.779 4.480 0.000 0.000 0.342 197 M C -0.102 176.205 176.300 0.011 0.000 1.068 197 M CA -0.237 55.067 55.300 0.006 0.000 0.991 197 M CB 1.267 33.876 32.600 0.014 0.000 1.596 197 M HN 0.216 nan 8.290 nan 0.000 0.439 198 K N 4.488 124.901 120.400 0.020 0.000 2.297 198 K HA 0.480 4.800 4.320 0.000 0.000 0.286 198 K C -0.089 176.531 176.600 0.034 0.000 1.053 198 K CA -0.648 55.656 56.287 0.029 0.000 0.940 198 K CB 0.399 32.923 32.500 0.041 0.000 1.019 198 K HN 0.820 nan 8.250 nan 0.000 0.475 199 I N -0.596 119.991 120.570 0.028 0.000 3.003 199 I HA 0.036 4.207 4.170 0.000 0.000 0.294 199 I C 1.040 177.178 176.117 0.034 0.000 1.237 199 I CA 0.835 62.151 61.300 0.027 0.000 1.417 199 I CB -0.069 37.945 38.000 0.023 0.000 1.340 199 I HN 0.963 nan 8.210 nan 0.000 0.594 200 G N 3.652 112.470 108.800 0.030 0.000 2.280 200 G HA2 -0.255 3.705 3.960 0.000 0.000 0.282 200 G HA3 -0.255 3.705 3.960 0.000 0.000 0.282 200 G C 0.110 175.041 174.900 0.051 0.000 1.000 200 G CA 0.488 45.609 45.100 0.034 0.000 0.751 200 G HN 0.935 nan 8.290 nan 0.000 0.515 201 V N 1.730 121.685 119.914 0.068 0.000 2.427 201 V HA 0.744 4.864 4.120 0.000 0.000 0.286 201 V C 0.918 177.062 176.094 0.084 0.000 1.034 201 V CA -0.132 62.240 62.300 0.120 0.000 0.893 201 V CB 1.400 33.352 31.823 0.215 0.000 0.982 201 V HN 0.486 nan 8.190 nan 0.000 0.452 202 M N 5.826 125.488 119.600 0.103 0.000 2.705 202 M HA 0.242 4.722 4.480 0.000 0.000 0.387 202 M C 0.424 176.754 176.300 0.050 0.000 1.204 202 M CA -0.020 55.299 55.300 0.031 0.000 0.905 202 M CB -0.094 32.524 32.600 0.030 0.000 1.394 202 M HN 0.622 nan 8.290 nan 0.000 0.515 203 F N 0.761 120.714 119.950 0.005 0.000 2.074 203 F HA 0.574 5.101 4.527 0.000 0.000 0.290 203 F C 1.434 177.237 175.800 0.005 0.000 1.118 203 F CA 1.773 59.777 58.000 0.005 0.000 1.199 203 F CB -0.947 38.057 39.000 0.006 0.000 1.012 203 F HN 0.123 nan 8.300 nan 0.000 0.472 204 G N -0.041 108.100 108.800 -1.099 0.000 2.508 204 G HA2 0.172 4.132 3.960 0.000 0.000 0.167 204 G HA3 0.172 4.132 3.960 0.000 0.000 0.167 204 G C -0.972 173.514 174.900 -0.689 0.000 1.534 204 G CA 0.119 44.798 45.100 -0.702 0.000 0.707 204 G HN 0.544 nan 8.290 nan 0.000 0.717 205 N N 1.010 119.182 118.700 -0.880 0.000 2.371 205 N HA 0.434 5.174 4.740 0.000 0.000 0.291 205 N C -2.956 172.359 175.510 -0.325 0.000 1.053 205 N CA -1.819 50.963 53.050 -0.446 0.000 0.870 205 N CB 2.398 40.756 38.487 -0.215 0.000 1.503 205 N HN -0.036 nan 8.380 nan 0.000 0.485 206 P HA 0.112 nan 4.420 nan 0.000 0.256 206 P C -0.538 176.748 177.300 -0.024 0.000 1.335 206 P CA 0.373 63.444 63.100 -0.047 0.000 0.808 206 P CB 0.112 31.791 31.700 -0.035 0.000 1.305 207 E N 0.149 120.322 120.200 -0.046 0.000 2.313 207 E HA 0.316 4.666 4.350 0.000 0.000 0.276 207 E C -0.066 176.488 176.600 -0.077 0.000 1.031 207 E CA 0.339 56.706 56.400 -0.056 0.000 0.857 207 E CB 0.893 30.555 29.700 -0.062 0.000 1.040 207 E HN 0.077 nan 8.360 nan 0.000 0.408 208 T N 0.709 115.191 114.554 -0.120 0.000 2.787 208 T HA 0.307 4.657 4.350 0.000 0.000 0.297 208 T C -0.318 174.241 174.700 -0.235 0.000 1.221 208 T CA -0.676 61.334 62.100 -0.151 0.000 1.006 208 T CB 1.906 70.735 68.868 -0.065 0.000 1.328 208 T HN 0.317 nan 8.240 nan 0.000 0.509 209 T N 0.934 115.357 114.554 -0.219 0.000 2.952 209 T HA 0.634 4.984 4.350 0.000 0.000 0.286 209 T C -0.148 174.485 174.700 -0.112 0.000 1.024 209 T CA -0.333 61.649 62.100 -0.196 0.000 1.029 209 T CB 0.940 69.701 68.868 -0.179 0.000 1.094 209 T HN 0.641 nan 8.240 nan 0.000 0.515 210 T N 0.874 115.371 114.554 -0.096 0.000 2.847 210 T HA 0.531 4.881 4.350 0.000 0.000 0.279 210 T C 1.081 175.747 174.700 -0.057 0.000 0.984 210 T CA 0.320 62.380 62.100 -0.067 0.000 0.988 210 T CB 0.649 69.483 68.868 -0.058 0.000 1.040 210 T HN 1.159 nan 8.240 nan 0.000 0.528 211 G N 0.311 109.083 108.800 -0.046 0.000 2.198 211 G HA2 0.181 4.141 3.960 0.000 0.000 0.257 211 G HA3 0.181 4.141 3.960 0.000 0.000 0.257 211 G C 0.671 175.538 174.900 -0.055 0.000 1.042 211 G CA 0.161 45.227 45.100 -0.056 0.000 0.791 211 G HN 1.657 nan 8.290 nan 0.000 0.502 212 G N -0.755 108.026 108.800 -0.032 0.000 2.907 212 G HA2 -0.305 3.655 3.960 0.000 0.000 0.242 212 G HA3 -0.305 3.655 3.960 0.000 0.000 0.242 212 G C 0.846 175.755 174.900 0.016 0.000 1.448 212 G CA 0.446 45.541 45.100 -0.009 0.000 0.911 212 G HN 0.875 nan 8.290 nan 0.000 0.553 213 N N 0.460 119.201 118.700 0.069 0.000 2.364 213 N HA -0.094 4.646 4.740 0.000 0.000 0.183 213 N C 2.782 178.447 175.510 0.258 0.000 1.022 213 N CA 1.280 54.437 53.050 0.177 0.000 0.883 213 N CB -0.202 38.453 38.487 0.281 0.000 0.965 213 N HN 0.855 nan 8.380 nan 0.000 0.438 214 A N 2.147 125.040 122.820 0.122 0.000 1.883 214 A HA -0.258 4.062 4.320 0.000 0.000 0.222 214 A C 2.099 179.768 177.584 0.142 0.000 1.339 214 A CA 1.582 53.666 52.037 0.078 0.000 0.692 214 A CB -1.172 17.778 19.000 -0.083 0.000 0.845 214 A HN 0.258 nan 8.150 nan 0.000 0.467 215 L N -0.059 121.157 121.223 -0.011 0.000 1.963 215 L HA -0.250 4.090 4.340 0.000 0.000 0.220 215 L C 2.359 179.302 176.870 0.121 0.000 1.076 215 L CA 2.722 57.528 54.840 -0.057 0.000 0.772 215 L CB -1.062 40.893 42.059 -0.173 0.000 0.892 215 L HN 0.537 nan 8.230 nan 0.000 0.435 216 K N -1.393 119.076 120.400 0.115 0.000 2.117 216 K HA -0.287 4.033 4.320 0.000 0.000 0.215 216 K C 1.997 178.607 176.600 0.018 0.000 1.053 216 K CA 2.362 58.673 56.287 0.041 0.000 0.935 216 K CB -0.591 31.878 32.500 -0.053 0.000 0.719 216 K HN 0.259 nan 8.250 nan 0.000 0.460 217 F N -0.759 119.245 119.950 0.090 0.000 2.128 217 F HA -0.100 4.427 4.527 0.000 0.000 0.295 217 F C 2.268 178.090 175.800 0.037 0.000 1.100 217 F CA 1.112 59.143 58.000 0.052 0.000 1.260 217 F CB -0.690 38.335 39.000 0.041 0.000 1.009 217 F HN 0.000 nan 8.300 nan 0.000 0.476 218 Y N 0.324 120.737 120.300 0.188 0.000 2.293 218 Y HA 0.059 4.610 4.550 0.000 0.000 0.291 218 Y C 1.765 177.704 175.900 0.065 0.000 1.137 218 Y CA 0.087 58.245 58.100 0.098 0.000 1.202 218 Y CB -0.787 37.705 38.460 0.052 0.000 0.990 218 Y HN -0.073 nan 8.280 nan 0.000 0.537 219 A N -0.017 122.924 122.820 0.202 0.000 2.567 219 A HA 0.029 4.349 4.320 0.000 0.000 0.240 219 A C 1.232 178.857 177.584 0.068 0.000 1.053 219 A CA 0.713 52.821 52.037 0.119 0.000 0.755 219 A CB 0.041 19.090 19.000 0.081 0.000 0.978 219 A HN 0.373 nan 8.150 nan 0.000 0.507 220 S N 0.554 116.288 115.700 0.056 0.000 2.503 220 S HA 0.230 4.700 4.470 0.000 0.000 0.217 220 S C 0.259 174.860 174.600 0.001 0.000 0.999 220 S CA 0.327 58.542 58.200 0.024 0.000 0.914 220 S CB 0.164 63.381 63.200 0.028 0.000 0.782 220 S HN 0.559 nan 8.310 nan 0.000 0.520 221 V N 2.332 122.248 119.914 0.003 0.000 2.733 221 V HA 0.451 4.571 4.120 0.000 0.000 0.306 221 V C -0.894 175.179 176.094 -0.035 0.000 1.084 221 V CA -0.807 61.476 62.300 -0.028 0.000 0.905 221 V CB 2.175 33.981 31.823 -0.028 0.000 1.010 221 V HN 0.128 nan 8.190 nan 0.000 0.424 222 R N 4.170 124.620 120.500 -0.083 0.000 2.480 222 R HA 0.658 4.998 4.340 0.000 0.000 0.306 222 R C -1.822 174.336 176.300 -0.237 0.000 0.958 222 R CA -0.905 55.126 56.100 -0.115 0.000 0.861 222 R CB 2.220 32.490 30.300 -0.050 0.000 1.171 222 R HN 0.333 nan 8.270 nan 0.000 0.445 223 L N 2.768 123.788 121.223 -0.339 0.000 2.343 223 L HA 0.242 4.582 4.340 0.000 0.000 0.278 223 L C -0.267 176.235 176.870 -0.612 0.000 0.996 223 L CA -0.489 54.140 54.840 -0.352 0.000 0.831 223 L CB 1.469 43.419 42.059 -0.180 0.000 1.232 223 L HN 0.491 nan 8.230 nan 0.000 0.413 224 D N 4.919 125.022 120.400 -0.495 0.000 2.456 224 D HA 0.161 4.801 4.640 0.000 0.000 0.219 224 D C -0.203 176.023 176.300 -0.123 0.000 1.126 224 D CA -0.186 53.582 54.000 -0.386 0.000 0.890 224 D CB 0.649 41.370 40.800 -0.132 0.000 1.025 224 D HN 0.473 nan 8.370 nan 0.000 0.511 225 I N 3.058 123.586 120.570 -0.070 0.000 2.532 225 I HA 0.413 4.583 4.170 0.000 0.000 0.292 225 I C -0.488 175.654 176.117 0.041 0.000 1.014 225 I CA -0.487 60.820 61.300 0.012 0.000 1.340 225 I CB 0.549 38.581 38.000 0.052 0.000 1.422 225 I HN 0.248 nan 8.210 nan 0.000 0.528 226 R N 4.928 125.436 120.500 0.013 0.000 2.680 226 R HA 0.392 4.732 4.340 0.000 0.000 0.269 226 R C -1.228 175.062 176.300 -0.016 0.000 1.026 226 R CA -0.941 55.169 56.100 0.017 0.000 0.889 226 R CB 1.827 32.136 30.300 0.015 0.000 1.241 226 R HN 0.567 nan 8.270 nan 0.000 0.463 227 R N 3.010 123.518 120.500 0.012 0.000 2.221 227 R HA 0.232 4.572 4.340 0.000 0.000 0.327 227 R C 0.741 177.042 176.300 0.002 0.000 1.033 227 R CA 0.026 56.130 56.100 0.008 0.000 0.887 227 R CB 0.503 30.842 30.300 0.066 0.000 1.057 227 R HN 0.678 nan 8.270 nan 0.000 0.455 228 I N 0.415 120.967 120.570 -0.031 0.000 3.939 228 I HA 0.453 4.623 4.170 0.000 0.000 0.313 228 I C 0.765 176.875 176.117 -0.012 0.000 1.274 228 I CA -0.180 61.108 61.300 -0.020 0.000 1.301 228 I CB 0.789 38.766 38.000 -0.038 0.000 1.105 228 I HN 0.585 nan 8.210 nan 0.000 0.427 229 G N 0.780 109.561 108.800 -0.032 0.000 2.554 229 G HA2 0.727 4.687 3.960 0.000 0.000 0.306 229 G HA3 0.727 4.687 3.960 0.000 0.000 0.306 229 G C -1.919 172.936 174.900 -0.076 0.000 1.320 229 G CA -0.220 44.854 45.100 -0.043 0.000 0.800 229 G HN 0.280 nan 8.290 nan 0.000 0.481 230 A N -0.986 121.775 122.820 -0.097 0.000 2.306 230 A HA 0.776 5.096 4.320 0.000 0.000 0.330 230 A C -0.649 176.871 177.584 -0.107 0.000 1.146 230 A CA -0.556 51.401 52.037 -0.134 0.000 0.827 230 A CB 1.658 20.552 19.000 -0.176 0.000 1.178 230 A HN 1.329 nan 8.150 nan 0.000 0.490 231 V N 2.643 122.484 119.914 -0.121 0.000 2.357 231 V HA 0.346 4.467 4.120 0.000 0.000 0.284 231 V C -0.141 175.899 176.094 -0.090 0.000 1.018 231 V CA -0.537 61.701 62.300 -0.104 0.000 0.841 231 V CB 0.989 32.737 31.823 -0.124 0.000 0.991 231 V HN 0.828 nan 8.190 nan 0.000 0.437 232 K N 3.344 123.705 120.400 -0.064 0.000 2.244 232 K HA 0.450 4.770 4.320 0.000 0.000 0.260 232 K C -0.155 176.425 176.600 -0.033 0.000 0.951 232 K CA -0.642 55.616 56.287 -0.047 0.000 0.826 232 K CB 2.252 34.725 32.500 -0.044 0.000 1.108 232 K HN 0.513 nan 8.250 nan 0.000 0.433 233 E N 2.089 122.277 120.200 -0.021 0.000 2.351 233 E HA 0.061 4.411 4.350 0.000 0.000 0.236 233 E C 0.945 177.540 176.600 -0.008 0.000 1.341 233 E CA 0.015 56.408 56.400 -0.012 0.000 1.579 233 E CB 0.181 29.880 29.700 -0.002 0.000 1.393 233 E HN 1.051 nan 8.360 nan 0.000 0.438 234 G N 1.979 110.772 108.800 -0.013 0.000 5.356 234 G HA2 -0.393 3.567 3.960 0.000 0.000 0.309 234 G HA3 -0.393 3.567 3.960 0.000 0.000 0.309 234 G C 1.098 175.994 174.900 -0.005 0.000 1.451 234 G CA 0.385 45.480 45.100 -0.009 0.000 0.978 234 G HN 0.380 nan 8.290 nan 0.000 0.771 235 E N 1.569 121.770 120.200 0.002 0.000 2.045 235 E HA 0.053 4.403 4.350 0.000 0.000 0.190 235 E C 1.131 177.740 176.600 0.014 0.000 0.968 235 E CA 0.349 56.754 56.400 0.009 0.000 0.813 235 E CB -0.385 29.323 29.700 0.014 0.000 0.780 235 E HN 0.672 nan 8.360 nan 0.000 0.455 236 N N 1.142 119.854 118.700 0.020 0.000 2.492 236 N HA 0.082 4.822 4.740 0.000 0.000 0.262 236 N C -0.737 174.790 175.510 0.029 0.000 1.202 236 N CA -0.240 52.831 53.050 0.036 0.000 0.926 236 N CB 1.358 39.870 38.487 0.042 0.000 1.078 236 N HN -0.157 nan 8.380 nan 0.000 0.454 237 V N 2.954 122.900 119.914 0.052 0.000 2.385 237 V HA 0.070 4.190 4.120 0.000 0.000 0.269 237 V C 0.680 176.860 176.094 0.142 0.000 1.043 237 V CA -0.067 62.258 62.300 0.041 0.000 0.906 237 V CB 1.290 33.103 31.823 -0.017 0.000 0.995 237 V HN 0.550 nan 8.190 nan 0.000 0.467 238 V N 4.133 124.079 119.914 0.053 0.000 3.562 238 V HA 0.597 4.717 4.120 0.000 0.000 0.270 238 V C 0.735 176.581 176.094 -0.414 0.000 1.418 238 V CA 0.977 63.284 62.300 0.012 0.000 1.033 238 V CB 0.677 32.491 31.823 -0.015 0.000 0.820 238 V HN 0.864 nan 8.190 nan 0.000 0.441 239 G N -0.662 107.856 108.800 -0.469 0.000 2.719 239 G HA2 0.471 4.431 3.960 0.000 0.000 0.298 239 G HA3 0.471 4.431 3.960 0.000 0.000 0.298 239 G C -1.088 173.579 174.900 -0.388 0.000 1.411 239 G CA -0.263 44.403 45.100 -0.725 0.000 0.991 239 G HN -0.014 nan 8.290 nan 0.000 0.509 240 S N 0.781 116.296 115.700 -0.308 0.000 2.473 240 S HA 0.227 4.697 4.470 0.000 0.000 0.312 240 S C 0.261 174.798 174.600 -0.104 0.000 1.087 240 S CA -0.298 57.900 58.200 -0.003 0.000 1.077 240 S CB 0.822 64.142 63.200 0.200 0.000 1.065 240 S HN 0.626 nan 8.310 nan 0.000 0.510 241 E N 2.864 122.996 120.200 -0.113 0.000 2.493 241 E HA 0.072 4.422 4.350 0.000 0.000 0.255 241 E C -0.409 176.079 176.600 -0.186 0.000 0.999 241 E CA 0.652 56.967 56.400 -0.141 0.000 0.934 241 E CB 0.318 29.959 29.700 -0.099 0.000 0.940 241 E HN 0.377 nan 8.360 nan 0.000 0.473 242 T N 5.687 120.028 114.554 -0.355 0.000 2.876 242 T HA 0.457 4.807 4.350 0.000 0.000 0.289 242 T C -0.706 173.681 174.700 -0.520 0.000 1.014 242 T CA -0.786 61.032 62.100 -0.470 0.000 0.986 242 T CB 1.263 69.727 68.868 -0.673 0.000 1.021 242 T HN 0.359 nan 8.240 nan 0.000 0.458 243 R N 2.225 122.561 120.500 -0.273 0.000 2.534 243 R HA 0.706 5.046 4.340 0.000 0.000 0.301 243 R C -1.913 174.356 176.300 -0.052 0.000 0.961 243 R CA -0.553 55.465 56.100 -0.135 0.000 0.871 243 R CB 1.330 31.591 30.300 -0.065 0.000 1.170 243 R HN 0.465 nan 8.270 nan 0.000 0.446 244 V N 5.037 124.974 119.914 0.038 0.000 2.443 244 V HA 0.354 4.474 4.120 0.000 0.000 0.293 244 V C -0.274 175.835 176.094 0.025 0.000 1.021 244 V CA -0.878 61.456 62.300 0.056 0.000 0.848 244 V CB 1.699 33.614 31.823 0.153 0.000 0.998 244 V HN 0.683 nan 8.190 nan 0.000 0.424 245 K N 2.791 123.178 120.400 -0.022 0.000 2.143 245 K HA 0.565 4.885 4.320 0.000 0.000 0.272 245 K C -0.663 175.871 176.600 -0.110 0.000 1.001 245 K CA -0.634 55.630 56.287 -0.038 0.000 0.915 245 K CB 2.183 34.672 32.500 -0.019 0.000 1.047 245 K HN 0.454 nan 8.250 nan 0.000 0.458 246 V N 4.364 124.207 119.914 -0.118 0.000 2.356 246 V HA -0.002 4.118 4.120 0.000 0.000 0.258 246 V C 1.005 176.878 176.094 -0.369 0.000 1.065 246 V CA -0.045 62.143 62.300 -0.186 0.000 0.935 246 V CB 0.742 32.490 31.823 -0.126 0.000 1.061 246 V HN 0.630 nan 8.190 nan 0.000 0.484 247 V N 3.707 123.394 119.914 -0.378 0.000 3.174 247 V HA 0.160 4.280 4.120 0.000 0.000 0.254 247 V C 0.901 176.713 176.094 -0.470 0.000 1.120 247 V CA 0.950 62.936 62.300 -0.524 0.000 1.114 247 V CB -0.059 31.628 31.823 -0.227 0.000 0.756 247 V HN 0.738 nan 8.190 nan 0.000 0.467 248 K N 1.060 121.290 120.400 -0.283 0.000 2.371 248 K HA 0.441 4.761 4.320 0.000 0.000 0.251 248 K C -1.435 175.078 176.600 -0.145 0.000 0.934 248 K CA -0.576 55.593 56.287 -0.196 0.000 0.798 248 K CB 1.726 34.156 32.500 -0.117 0.000 1.204 248 K HN 0.099 nan 8.250 nan 0.000 0.427 249 N N 2.680 121.320 118.700 -0.101 0.000 2.478 249 N HA 0.217 4.957 4.740 0.000 0.000 0.291 249 N C -0.922 174.574 175.510 -0.024 0.000 1.090 249 N CA -0.333 52.684 53.050 -0.055 0.000 0.911 249 N CB 1.677 40.135 38.487 -0.047 0.000 1.546 249 N HN 0.577 nan 8.380 nan 0.000 0.500 250 K N 2.274 122.664 120.400 -0.016 0.000 2.358 250 K HA 0.298 4.618 4.320 0.000 0.000 0.200 250 K C 0.867 177.467 176.600 -0.000 0.000 1.030 250 K CA 0.051 56.335 56.287 -0.005 0.000 1.097 250 K CB 0.663 33.161 32.500 -0.003 0.000 0.862 250 K HN 0.371 nan 8.250 nan 0.000 0.534 251 I N -0.049 120.519 120.570 -0.003 0.000 3.300 251 I HA 0.167 4.337 4.170 0.000 0.000 0.279 251 I C 0.416 176.534 176.117 0.002 0.000 1.172 251 I CA 0.180 61.480 61.300 -0.001 0.000 1.431 251 I CB 0.805 38.803 38.000 -0.003 0.000 1.240 251 I HN -0.007 nan 8.210 nan 0.000 0.453 252 A N -0.563 122.258 122.820 0.002 0.000 2.765 252 A HA 0.840 5.160 4.320 0.000 0.000 0.305 252 A C -0.807 176.788 177.584 0.019 0.000 1.229 252 A CA -0.140 51.903 52.037 0.009 0.000 0.653 252 A CB -0.311 18.693 19.000 0.007 0.000 1.375 252 A HN 0.082 nan 8.150 nan 0.000 0.540 253 A N 1.509 124.346 122.820 0.029 0.000 2.548 253 A HA 0.529 4.849 4.320 0.000 0.000 0.247 253 A C -2.014 175.607 177.584 0.061 0.000 1.067 253 A CA -0.373 51.696 52.037 0.053 0.000 0.757 253 A CB -0.806 18.226 19.000 0.053 0.000 0.996 253 A HN 0.484 nan 8.150 nan 0.000 0.504 254 P HA 0.478 nan 4.420 nan 0.000 0.282 254 P C 0.189 177.609 177.300 0.199 0.000 1.287 254 P CA -0.225 62.907 63.100 0.054 0.000 0.792 254 P CB 0.298 32.013 31.700 0.025 0.000 1.163 255 F N -4.253 115.696 119.950 -0.002 0.000 2.590 255 F HA -0.224 4.303 4.527 0.000 0.000 0.471 255 F C 0.864 176.665 175.800 0.002 0.000 0.551 255 F CA 1.137 59.138 58.000 0.002 0.000 1.228 255 F CB -1.836 37.167 39.000 0.004 0.000 1.862 255 F HN 0.243 nan 8.300 nan 0.000 0.271 256 K N 2.310 122.795 120.400 0.142 0.000 2.448 256 K HA 0.213 4.533 4.320 0.000 0.000 0.278 256 K C 0.474 177.108 176.600 0.056 0.000 1.009 256 K CA 0.228 56.566 56.287 0.084 0.000 0.995 256 K CB 0.412 32.944 32.500 0.053 0.000 0.917 256 K HN 0.411 nan 8.250 nan 0.000 0.481 257 Q N 0.700 120.533 119.800 0.056 0.000 2.351 257 Q HA 0.713 5.053 4.340 0.000 0.000 0.273 257 Q C -1.391 174.641 176.000 0.054 0.000 1.077 257 Q CA -1.272 54.561 55.803 0.049 0.000 0.843 257 Q CB 2.020 30.790 28.738 0.053 0.000 1.367 257 Q HN 0.507 nan 8.270 nan 0.000 0.449 258 A N 1.866 124.733 122.820 0.079 0.000 2.332 258 A HA 0.489 4.809 4.320 0.000 0.000 0.300 258 A C -1.203 176.506 177.584 0.208 0.000 1.153 258 A CA -0.683 51.433 52.037 0.131 0.000 0.764 258 A CB 1.160 20.241 19.000 0.135 0.000 1.174 258 A HN 0.761 nan 8.150 nan 0.000 0.467 259 E N 1.623 121.929 120.200 0.176 0.000 2.176 259 E HA 0.671 5.021 4.350 0.000 0.000 0.267 259 E C -0.994 175.723 176.600 0.194 0.000 0.893 259 E CA -0.345 56.111 56.400 0.094 0.000 0.761 259 E CB 1.754 31.467 29.700 0.021 0.000 1.133 259 E HN 0.669 nan 8.360 nan 0.000 0.409 260 F N -0.709 119.229 119.950 -0.020 0.000 3.090 260 F HA 0.465 4.992 4.527 0.000 0.000 0.324 260 F C -1.412 174.377 175.800 -0.018 0.000 1.189 260 F CA -1.227 56.757 58.000 -0.026 0.000 0.907 260 F CB 1.160 40.138 39.000 -0.038 0.000 1.445 260 F HN 0.118 nan 8.300 nan 0.000 0.500 261 Q N 1.133 121.052 119.800 0.198 0.000 2.333 261 Q HA 0.645 4.985 4.340 0.000 0.000 0.267 261 Q C -1.406 174.695 176.000 0.168 0.000 1.012 261 Q CA -0.675 55.158 55.803 0.050 0.000 0.824 261 Q CB 3.078 31.833 28.738 0.028 0.000 1.290 261 Q HN 0.557 nan 8.270 nan 0.000 0.449 262 I N 3.825 124.415 120.570 0.033 0.000 2.388 262 I HA 0.232 4.402 4.170 0.000 0.000 0.281 262 I C -0.542 175.501 176.117 -0.125 0.000 1.046 262 I CA -0.429 60.922 61.300 0.085 0.000 1.187 262 I CB 0.544 38.647 38.000 0.172 0.000 1.351 262 I HN 0.376 nan 8.210 nan 0.000 0.472 263 L N 6.179 127.351 121.223 -0.084 0.000 2.360 263 L HA 0.232 4.572 4.340 0.000 0.000 0.276 263 L C -0.570 176.281 176.870 -0.032 0.000 1.121 263 L CA -0.613 54.114 54.840 -0.189 0.000 0.845 263 L CB -0.077 41.945 42.059 -0.061 0.000 1.143 263 L HN 0.391 nan 8.230 nan 0.000 0.452 264 Y N 1.457 121.851 120.300 0.157 0.000 2.436 264 Y HA 0.359 4.909 4.550 0.000 0.000 0.336 264 Y C 1.346 177.394 175.900 0.246 0.000 1.049 264 Y CA -0.183 58.051 58.100 0.224 0.000 1.294 264 Y CB 0.333 38.871 38.460 0.130 0.000 1.179 264 Y HN 0.857 nan 8.280 nan 0.000 0.520 265 G N 1.875 111.035 108.800 0.599 0.000 2.157 265 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 265 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 265 G C 0.650 175.645 174.900 0.159 0.000 0.979 265 G CA 0.513 45.848 45.100 0.391 0.000 0.650 265 G HN 0.658 nan 8.290 nan 0.000 0.529 266 E N -1.683 118.590 120.200 0.121 0.000 2.583 266 E HA 0.439 4.789 4.350 0.000 0.000 0.204 266 E C 1.381 177.991 176.600 0.016 0.000 0.860 266 E CA 1.100 57.525 56.400 0.042 0.000 1.473 266 E CB 0.603 30.334 29.700 0.052 0.000 1.469 266 E HN 1.697 nan 8.360 nan 0.000 0.788 267 G N 1.139 109.979 108.800 0.067 0.000 2.445 267 G HA2 -0.195 3.765 3.960 0.000 0.000 0.212 267 G HA3 -0.195 3.765 3.960 0.000 0.000 0.212 267 G C -0.495 174.480 174.900 0.125 0.000 1.217 267 G CA -0.362 44.786 45.100 0.079 0.000 1.002 267 G HN 0.149 nan 8.290 nan 0.000 0.574 268 I N 1.588 122.240 120.570 0.137 0.000 2.598 268 I HA 0.055 4.225 4.170 0.000 0.000 0.284 268 I C 0.682 176.897 176.117 0.163 0.000 1.140 268 I CA -0.204 61.201 61.300 0.175 0.000 1.420 268 I CB 0.602 38.630 38.000 0.047 0.000 1.387 268 I HN 0.428 nan 8.210 nan 0.000 0.553 269 N N 6.352 125.159 118.700 0.179 0.000 2.744 269 N HA -0.040 4.700 4.740 0.000 0.000 0.290 269 N C 0.649 176.252 175.510 0.155 0.000 1.206 269 N CA 0.232 53.385 53.050 0.171 0.000 1.119 269 N CB -0.194 38.369 38.487 0.126 0.000 1.449 269 N HN 0.502 nan 8.380 nan 0.000 0.514 270 F N 2.465 122.412 119.950 -0.005 0.000 2.069 270 F HA -0.248 4.279 4.527 0.000 0.000 0.298 270 F C 1.032 176.725 175.800 -0.178 0.000 1.113 270 F CA 1.710 59.605 58.000 -0.175 0.000 1.214 270 F CB -0.125 38.665 39.000 -0.350 0.000 0.978 270 F HN 0.468 nan 8.300 nan 0.000 0.474 271 Y N 0.009 120.447 120.300 0.229 0.000 2.314 271 Y HA -0.005 4.545 4.550 0.000 0.000 0.293 271 Y C 2.661 178.572 175.900 0.018 0.000 1.129 271 Y CA 0.797 58.973 58.100 0.127 0.000 1.201 271 Y CB -1.308 37.222 38.460 0.117 0.000 0.999 271 Y HN 0.134 nan 8.280 nan 0.000 0.541 272 G N 0.531 109.429 108.800 0.162 0.000 2.553 272 G HA2 -0.339 3.621 3.960 0.000 0.000 0.218 272 G HA3 -0.339 3.621 3.960 0.000 0.000 0.218 272 G C 1.400 176.308 174.900 0.015 0.000 1.195 272 G CA 1.603 46.744 45.100 0.067 0.000 0.779 272 G HN 0.443 nan 8.290 nan 0.000 0.577 273 E N -0.069 120.106 120.200 -0.042 0.000 2.033 273 E HA -0.163 4.187 4.350 0.000 0.000 0.199 273 E C 2.419 178.956 176.600 -0.104 0.000 1.011 273 E CA 1.003 57.345 56.400 -0.097 0.000 0.815 273 E CB -0.374 29.189 29.700 -0.227 0.000 0.755 273 E HN 0.251 nan 8.360 nan 0.000 0.451 274 L N 1.127 122.250 121.223 -0.167 0.000 2.030 274 L HA -0.289 4.051 4.340 0.000 0.000 0.222 274 L C 2.277 179.144 176.870 -0.005 0.000 1.082 274 L CA 1.672 56.450 54.840 -0.103 0.000 0.785 274 L CB -0.754 41.277 42.059 -0.048 0.000 0.895 274 L HN 0.030 nan 8.230 nan 0.000 0.439 275 V N -0.166 119.767 119.914 0.032 0.000 2.217 275 V HA -0.414 3.706 4.120 0.000 0.000 0.248 275 V C 2.337 178.482 176.094 0.085 0.000 1.050 275 V CA 2.229 64.563 62.300 0.056 0.000 1.007 275 V CB -0.962 30.853 31.823 -0.013 0.000 0.639 275 V HN 0.482 nan 8.190 nan 0.000 0.452 276 D N -0.159 120.281 120.400 0.067 0.000 2.157 276 D HA -0.180 4.460 4.640 0.000 0.000 0.191 276 D C 2.104 178.440 176.300 0.061 0.000 1.004 276 D CA 1.341 55.389 54.000 0.081 0.000 0.854 276 D CB -0.342 40.488 40.800 0.051 0.000 0.936 276 D HN 0.193 nan 8.370 nan 0.000 0.446 277 L N 0.503 121.740 121.223 0.024 0.000 2.046 277 L HA -0.082 4.258 4.340 0.000 0.000 0.208 277 L C 2.595 179.486 176.870 0.036 0.000 1.077 277 L CA 1.691 56.537 54.840 0.011 0.000 0.747 277 L CB -1.673 40.366 42.059 -0.032 0.000 0.896 277 L HN 0.089 nan 8.230 nan 0.000 0.432 278 G N -0.832 107.999 108.800 0.052 0.000 2.422 278 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 278 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 278 G C 1.752 176.712 174.900 0.101 0.000 1.146 278 G CA 0.965 46.114 45.100 0.081 0.000 0.769 278 G HN 0.266 nan 8.290 nan 0.000 0.547 279 V N 0.642 120.625 119.914 0.114 0.000 2.270 279 V HA -0.131 3.989 4.120 0.000 0.000 0.245 279 V C 2.654 178.786 176.094 0.064 0.000 1.043 279 V CA 2.173 64.537 62.300 0.105 0.000 1.014 279 V CB -0.420 31.485 31.823 0.138 0.000 0.645 279 V HN 0.355 nan 8.190 nan 0.000 0.447 280 K N -0.302 120.131 120.400 0.055 0.000 2.209 280 K HA -0.151 4.169 4.320 0.000 0.000 0.204 280 K C 1.614 178.235 176.600 0.034 0.000 1.048 280 K CA 1.111 57.421 56.287 0.037 0.000 0.940 280 K CB 0.064 32.583 32.500 0.031 0.000 0.729 280 K HN 0.380 nan 8.250 nan 0.000 0.451 281 E N 0.581 120.806 120.200 0.041 0.000 2.444 281 E HA 0.010 4.360 4.350 0.000 0.000 0.191 281 E C -0.218 176.410 176.600 0.048 0.000 1.041 281 E CA 0.043 56.467 56.400 0.040 0.000 0.883 281 E CB 0.654 30.377 29.700 0.038 0.000 1.024 281 E HN 0.118 nan 8.360 nan 0.000 0.470 282 K N -0.114 120.317 120.400 0.051 0.000 3.130 282 K HA -0.204 4.116 4.320 0.000 0.000 0.282 282 K C 0.950 177.596 176.600 0.077 0.000 1.145 282 K CA 0.401 56.719 56.287 0.052 0.000 0.831 282 K CB -2.044 30.477 32.500 0.034 0.000 1.226 282 K HN 0.277 nan 8.250 nan 0.000 0.478 283 L N -0.418 120.869 121.223 0.106 0.000 2.375 283 L HA 0.173 4.513 4.340 0.000 0.000 0.215 283 L C 0.992 178.011 176.870 0.249 0.000 1.108 283 L CA 0.580 55.521 54.840 0.169 0.000 0.830 283 L CB 0.194 42.350 42.059 0.162 0.000 0.959 283 L HN 0.112 nan 8.230 nan 0.000 0.457 284 I N -0.844 119.841 120.570 0.193 0.000 2.509 284 I HA 0.204 4.374 4.170 0.000 0.000 0.293 284 I C -0.270 175.926 176.117 0.132 0.000 1.020 284 I CA -0.639 60.792 61.300 0.218 0.000 1.088 284 I CB 2.247 40.389 38.000 0.235 0.000 1.267 284 I HN -0.165 nan 8.210 nan 0.000 0.430 285 E N 5.284 125.548 120.200 0.106 0.000 2.313 285 E HA 0.246 4.596 4.350 0.000 0.000 0.276 285 E C -0.699 175.878 176.600 -0.039 0.000 1.031 285 E CA -0.309 56.109 56.400 0.030 0.000 0.857 285 E CB 0.964 30.676 29.700 0.019 0.000 1.040 285 E HN 0.316 nan 8.360 nan 0.000 0.408 286 K N 2.784 123.120 120.400 -0.107 0.000 2.575 286 K HA 0.491 4.811 4.320 0.000 0.000 0.236 286 K C -1.600 174.921 176.600 -0.131 0.000 0.976 286 K CA -0.591 55.548 56.287 -0.245 0.000 0.985 286 K CB 0.981 33.254 32.500 -0.379 0.000 1.198 286 K HN 0.493 nan 8.250 nan 0.000 0.464 287 A N 3.549 126.332 122.820 -0.062 0.000 2.880 287 A HA 0.567 4.887 4.320 0.000 0.000 0.328 287 A C 0.837 178.436 177.584 0.024 0.000 1.440 287 A CA 0.359 52.393 52.037 -0.005 0.000 1.068 287 A CB -0.257 18.759 19.000 0.026 0.000 1.163 287 A HN 1.060 nan 8.150 nan 0.000 0.510 288 G N 1.299 110.080 108.800 -0.031 0.000 3.031 288 G HA2 -0.063 3.897 3.960 0.000 0.000 0.289 288 G HA3 -0.063 3.897 3.960 0.000 0.000 0.289 288 G C 1.305 176.155 174.900 -0.082 0.000 1.393 288 G CA 0.716 45.798 45.100 -0.030 0.000 1.010 288 G HN 1.836 nan 8.290 nan 0.000 0.579 289 A N -0.793 121.982 122.820 -0.074 0.000 2.229 289 A HA 0.531 4.851 4.320 0.000 0.000 0.211 289 A C 0.693 178.192 177.584 -0.140 0.000 1.193 289 A CA 0.527 52.483 52.037 -0.135 0.000 0.879 289 A CB 0.043 18.922 19.000 -0.200 0.000 0.911 289 A HN 0.599 nan 8.150 nan 0.000 0.492 290 W N -0.395 120.882 121.300 -0.039 0.000 2.287 290 W HA 0.487 5.147 4.660 0.000 0.000 0.313 290 W C -0.728 175.748 176.519 -0.072 0.000 1.267 290 W CA 0.047 57.397 57.345 0.007 0.000 1.201 290 W CB 0.324 29.774 29.460 -0.017 0.000 1.196 290 W HN 0.218 nan 8.180 nan 0.000 0.536 291 Y N 2.526 122.966 120.300 0.232 0.000 2.331 291 Y HA 0.406 4.956 4.550 0.000 0.000 0.338 291 Y C 0.388 176.342 175.900 0.089 0.000 0.976 291 Y CA -0.563 57.609 58.100 0.121 0.000 1.137 291 Y CB 1.296 39.795 38.460 0.064 0.000 1.172 291 Y HN 0.161 nan 8.280 nan 0.000 0.478 292 S N 2.678 118.476 115.700 0.164 0.000 2.568 292 S HA 0.466 4.936 4.470 0.000 0.000 0.302 292 S C -1.857 172.823 174.600 0.133 0.000 1.082 292 S CA -0.769 57.476 58.200 0.076 0.000 1.009 292 S CB 1.401 64.611 63.200 0.016 0.000 1.069 292 S HN 0.483 nan 8.310 nan 0.000 0.500 293 Y N 2.072 122.325 120.300 -0.080 0.000 2.326 293 Y HA 0.380 4.930 4.550 0.000 0.000 0.329 293 Y C 0.265 176.155 175.900 -0.017 0.000 0.973 293 Y CA -1.099 56.983 58.100 -0.030 0.000 1.162 293 Y CB 0.523 38.969 38.460 -0.023 0.000 1.147 293 Y HN 0.834 nan 8.280 nan 0.000 0.456 294 K N 4.574 124.704 120.400 -0.451 0.000 3.016 294 K HA -0.277 4.043 4.320 0.000 0.000 0.262 294 K C 0.928 177.411 176.600 -0.196 0.000 1.043 294 K CA 1.125 57.176 56.287 -0.393 0.000 0.761 294 K CB -1.461 30.699 32.500 -0.568 0.000 1.230 294 K HN 1.329 nan 8.250 nan 0.000 0.485 295 G N 0.236 108.960 108.800 -0.127 0.000 2.345 295 G HA2 -0.334 3.626 3.960 0.000 0.000 0.218 295 G HA3 -0.334 3.626 3.960 0.000 0.000 0.218 295 G C -0.136 174.707 174.900 -0.095 0.000 1.058 295 G CA 0.287 45.330 45.100 -0.096 0.000 0.632 295 G HN 0.435 nan 8.290 nan 0.000 0.508 296 E N 2.016 122.160 120.200 -0.093 0.000 2.257 296 E HA 0.318 4.668 4.350 0.000 0.000 0.278 296 E C 0.024 176.548 176.600 -0.127 0.000 1.049 296 E CA -0.321 56.023 56.400 -0.093 0.000 0.876 296 E CB 0.205 29.875 29.700 -0.050 0.000 1.035 296 E HN 0.358 nan 8.360 nan 0.000 0.419 297 K N 5.688 125.995 120.400 -0.155 0.000 2.378 297 K HA 0.087 4.407 4.320 0.000 0.000 0.288 297 K C 1.132 177.615 176.600 -0.195 0.000 1.057 297 K CA -0.007 56.191 56.287 -0.148 0.000 0.971 297 K CB 0.482 32.819 32.500 -0.273 0.000 0.975 297 K HN 0.581 nan 8.250 nan 0.000 0.475 298 I N -1.144 119.278 120.570 -0.246 0.000 3.462 298 I HA 0.235 4.405 4.170 0.000 0.000 0.290 298 I C 0.617 176.586 176.117 -0.245 0.000 1.236 298 I CA -0.052 60.856 61.300 -0.653 0.000 1.418 298 I CB 0.573 37.975 38.000 -0.998 0.000 1.102 298 I HN 0.531 nan 8.210 nan 0.000 0.441 299 G N 1.814 110.675 108.800 0.101 0.000 2.443 299 G HA2 0.128 4.088 3.960 0.000 0.000 0.303 299 G HA3 0.128 4.088 3.960 0.000 0.000 0.303 299 G C -1.787 173.200 174.900 0.145 0.000 1.613 299 G CA -0.660 44.532 45.100 0.154 0.000 0.879 299 G HN 0.235 nan 8.290 nan 0.000 0.632 300 Q N 0.865 120.515 119.800 -0.251 0.000 2.314 300 Q HA 0.526 4.866 4.340 0.000 0.000 0.257 300 Q C 0.575 176.406 176.000 -0.283 0.000 0.975 300 Q CA 0.761 56.142 55.803 -0.702 0.000 0.933 300 Q CB 0.677 28.516 28.738 -1.498 0.000 1.195 300 Q HN 2.324 nan 8.270 nan 0.000 0.426 301 G N 3.127 111.893 108.800 -0.055 0.000 2.692 301 G HA2 -0.240 3.720 3.960 0.000 0.000 0.686 301 G HA3 -0.240 3.720 3.960 0.000 0.000 0.686 301 G C -0.068 174.745 174.900 -0.145 0.000 1.243 301 G CA -0.084 45.021 45.100 0.008 0.000 0.782 301 G HN 0.760 nan 8.290 nan 0.000 0.625 302 K N 0.661 120.957 120.400 -0.173 0.000 2.147 302 K HA 0.053 4.373 4.320 0.000 0.000 0.205 302 K C 2.836 179.287 176.600 -0.248 0.000 1.049 302 K CA 2.203 58.243 56.287 -0.412 0.000 0.936 302 K CB -0.308 32.098 32.500 -0.156 0.000 0.722 302 K HN 1.077 nan 8.250 nan 0.000 0.446 303 A N 1.059 123.799 122.820 -0.135 0.000 1.972 303 A HA -0.171 4.149 4.320 0.000 0.000 0.219 303 A C 1.580 179.121 177.584 -0.072 0.000 1.169 303 A CA 1.750 53.737 52.037 -0.083 0.000 0.635 303 A CB -0.510 18.456 19.000 -0.058 0.000 0.810 303 A HN 0.509 nan 8.150 nan 0.000 0.446 304 N N -0.748 117.897 118.700 -0.092 0.000 2.409 304 N HA 0.126 4.866 4.740 0.000 0.000 0.174 304 N C 1.813 177.314 175.510 -0.014 0.000 1.037 304 N CA 0.573 53.600 53.050 -0.038 0.000 0.898 304 N CB -0.049 38.415 38.487 -0.039 0.000 1.010 304 N HN 0.466 nan 8.380 nan 0.000 0.445 305 A N 0.665 123.393 122.820 -0.153 0.000 1.969 305 A HA -0.067 4.253 4.320 0.000 0.000 0.218 305 A C 2.207 179.795 177.584 0.007 0.000 1.169 305 A CA 1.290 53.243 52.037 -0.140 0.000 0.635 305 A CB -0.644 18.022 19.000 -0.556 0.000 0.810 305 A HN 0.135 nan 8.150 nan 0.000 0.445 306 T N 0.474 115.005 114.554 -0.038 0.000 2.614 306 T HA -0.029 4.321 4.350 0.000 0.000 0.263 306 T C 2.192 176.891 174.700 -0.001 0.000 1.055 306 T CA 1.718 63.824 62.100 0.010 0.000 1.162 306 T CB -0.533 68.329 68.868 -0.010 0.000 0.863 306 T HN 0.562 nan 8.240 nan 0.000 0.414 307 A N -0.476 122.345 122.820 0.001 0.000 2.172 307 A HA -0.027 4.293 4.320 0.000 0.000 0.216 307 A C 1.908 179.501 177.584 0.015 0.000 1.154 307 A CA 0.961 52.985 52.037 -0.022 0.000 0.701 307 A CB -0.883 18.115 19.000 -0.003 0.000 0.789 307 A HN 0.755 nan 8.150 nan 0.000 0.465 308 W N -0.405 120.844 121.300 -0.085 0.000 2.539 308 W HA 0.137 4.797 4.660 0.000 0.000 0.281 308 W C 1.448 177.918 176.519 -0.083 0.000 1.220 308 W CA 0.890 58.200 57.345 -0.058 0.000 1.332 308 W CB -0.032 29.424 29.460 -0.008 0.000 1.095 308 W HN 0.189 nan 8.180 nan 0.000 0.571 309 L N 0.995 122.219 121.223 0.000 0.000 2.141 309 L HA -0.134 4.206 4.340 0.000 0.000 0.209 309 L C 2.545 179.124 176.870 -0.485 0.000 1.094 309 L CA 1.338 56.063 54.840 -0.192 0.000 0.763 309 L CB -0.683 41.471 42.059 0.159 0.000 0.908 309 L HN -0.105 nan 8.230 nan 0.000 0.437 310 K N -0.013 120.022 120.400 -0.609 0.000 2.097 310 K HA -0.238 4.082 4.320 0.000 0.000 0.206 310 K C 1.592 177.908 176.600 -0.475 0.000 1.049 310 K CA 1.876 57.712 56.287 -0.752 0.000 0.933 310 K CB 0.034 32.231 32.500 -0.505 0.000 0.717 310 K HN 0.184 nan 8.250 nan 0.000 0.442 311 D N -0.275 119.873 120.400 -0.420 0.000 2.194 311 D HA -0.039 4.601 4.640 0.000 0.000 0.204 311 D C -0.317 175.720 176.300 -0.438 0.000 0.964 311 D CA 0.735 54.517 54.000 -0.364 0.000 0.846 311 D CB 0.240 40.856 40.800 -0.308 0.000 0.962 311 D HN 0.054 nan 8.370 nan 0.000 0.490 312 N N -0.392 117.918 118.700 -0.649 0.000 2.898 312 N HA 0.228 4.968 4.740 0.000 0.000 0.245 312 N C -2.203 173.080 175.510 -0.378 0.000 1.185 312 N CA -1.212 51.494 53.050 -0.574 0.000 0.879 312 N CB 1.877 39.849 38.487 -0.858 0.000 1.157 312 N HN -0.033 nan 8.380 nan 0.000 0.503 313 P HA -0.133 nan 4.420 nan 0.000 0.222 313 P C 0.844 178.115 177.300 -0.048 0.000 1.147 313 P CA 0.971 64.025 63.100 -0.076 0.000 0.790 313 P CB 0.422 32.087 31.700 -0.058 0.000 0.780 314 E N -0.415 119.742 120.200 -0.073 0.000 2.031 314 E HA -0.136 4.214 4.350 0.000 0.000 0.193 314 E C 1.737 178.332 176.600 -0.008 0.000 0.994 314 E CA 1.699 58.081 56.400 -0.030 0.000 0.800 314 E CB -1.755 27.932 29.700 -0.021 0.000 0.752 314 E HN 0.291 nan 8.360 nan 0.000 0.447 315 T N 1.706 116.236 114.554 -0.040 0.000 2.821 315 T HA -0.021 4.329 4.350 0.000 0.000 0.267 315 T C 2.124 176.806 174.700 -0.029 0.000 1.046 315 T CA 1.382 63.479 62.100 -0.005 0.000 1.139 315 T CB -0.278 68.588 68.868 -0.003 0.000 0.871 315 T HN 0.317 nan 8.240 nan 0.000 0.454 316 A N 2.301 125.112 122.820 -0.014 0.000 1.877 316 A HA -0.135 4.185 4.320 0.000 0.000 0.216 316 A C 2.333 179.957 177.584 0.066 0.000 1.186 316 A CA 1.219 53.302 52.037 0.078 0.000 0.620 316 A CB -0.338 18.810 19.000 0.247 0.000 0.822 316 A HN 0.222 nan 8.150 nan 0.000 0.443 317 K N -0.159 120.270 120.400 0.048 0.000 2.032 317 K HA -0.187 4.133 4.320 0.000 0.000 0.209 317 K C 1.895 178.519 176.600 0.040 0.000 1.048 317 K CA 1.658 57.967 56.287 0.037 0.000 0.927 317 K CB -0.594 31.918 32.500 0.021 0.000 0.712 317 K HN 0.757 nan 8.250 nan 0.000 0.441 318 E N 0.545 120.772 120.200 0.045 0.000 2.085 318 E HA -0.149 4.201 4.350 0.000 0.000 0.194 318 E C 2.075 178.716 176.600 0.068 0.000 0.994 318 E CA 0.966 57.407 56.400 0.068 0.000 0.801 318 E CB 0.012 29.775 29.700 0.106 0.000 0.743 318 E HN 0.250 nan 8.360 nan 0.000 0.453 319 I N 0.378 120.966 120.570 0.031 0.000 2.277 319 I HA -0.194 3.976 4.170 0.000 0.000 0.243 319 I C 2.616 178.751 176.117 0.029 0.000 1.094 319 I CA 0.963 62.275 61.300 0.019 0.000 1.393 319 I CB -0.399 37.567 38.000 -0.057 0.000 1.078 319 I HN 0.186 nan 8.210 nan 0.000 0.417 320 E N 1.863 122.081 120.200 0.030 0.000 2.048 320 E HA -0.345 4.005 4.350 0.000 0.000 0.202 320 E C 2.232 178.846 176.600 0.023 0.000 1.021 320 E CA 2.022 58.438 56.400 0.027 0.000 0.825 320 E CB -0.056 29.686 29.700 0.069 0.000 0.756 320 E HN 0.277 nan 8.360 nan 0.000 0.454 321 K N 0.356 120.775 120.400 0.033 0.000 2.032 321 K HA -0.195 4.125 4.320 0.000 0.000 0.209 321 K C 2.178 178.796 176.600 0.030 0.000 1.048 321 K CA 1.754 58.059 56.287 0.029 0.000 0.927 321 K CB 0.004 32.523 32.500 0.032 0.000 0.712 321 K HN 0.005 nan 8.250 nan 0.000 0.441 322 K N 0.135 120.560 120.400 0.041 0.000 2.211 322 K HA -0.085 4.235 4.320 0.000 0.000 0.203 322 K C 1.951 178.572 176.600 0.035 0.000 1.050 322 K CA 1.004 57.318 56.287 0.046 0.000 0.945 322 K CB 0.094 32.635 32.500 0.069 0.000 0.732 322 K HN 0.007 nan 8.250 nan 0.000 0.451 323 V N 1.247 121.177 119.914 0.027 0.000 2.261 323 V HA -0.260 3.860 4.120 0.000 0.000 0.246 323 V C 2.204 178.299 176.094 0.002 0.000 1.047 323 V CA 1.663 63.969 62.300 0.011 0.000 1.015 323 V CB -0.438 31.380 31.823 -0.009 0.000 0.642 323 V HN 0.289 nan 8.190 nan 0.000 0.446 324 R N -0.126 120.373 120.500 -0.002 0.000 2.096 324 R HA -0.228 4.112 4.340 0.000 0.000 0.240 324 R C 2.333 178.635 176.300 0.003 0.000 1.139 324 R CA 2.035 58.133 56.100 -0.004 0.000 0.952 324 R CB -0.442 29.857 30.300 -0.001 0.000 0.854 324 R HN 0.606 nan 8.270 nan 0.000 0.436 325 E N 0.429 120.636 120.200 0.011 0.000 2.130 325 E HA -0.220 4.130 4.350 0.000 0.000 0.196 325 E C 1.975 178.583 176.600 0.012 0.000 0.998 325 E CA 1.171 57.579 56.400 0.013 0.000 0.806 325 E CB -0.078 29.634 29.700 0.019 0.000 0.738 325 E HN 0.320 nan 8.360 nan 0.000 0.459 326 L N -0.275 120.956 121.223 0.013 0.000 2.270 326 L HA -0.042 4.298 4.340 0.000 0.000 0.210 326 L C 1.896 178.772 176.870 0.009 0.000 1.104 326 L CA 0.532 55.380 54.840 0.014 0.000 0.804 326 L CB 0.256 42.326 42.059 0.019 0.000 0.937 326 L HN 0.101 nan 8.230 nan 0.000 0.450 327 L N -1.084 120.141 121.223 0.004 0.000 2.858 327 L HA 0.255 4.595 4.340 0.000 0.000 0.251 327 L C 0.171 177.040 176.870 -0.002 0.000 1.149 327 L CA -0.225 54.615 54.840 0.000 0.000 0.955 327 L CB 0.630 42.687 42.059 -0.004 0.000 1.289 327 L HN 0.081 nan 8.230 nan 0.000 0.542 1002 I N 0.783 121.353 120.570 0.000 0.000 2.385 1002 I HA 0.017 4.187 4.170 0.000 0.000 0.244 1002 I C 1.919 178.036 176.117 0.000 0.000 1.089 1002 I CA 1.384 62.684 61.300 0.000 0.000 1.410 1002 I CB -0.125 37.875 38.000 -0.000 0.000 1.117 1002 I HN 0.385 nan 8.210 nan 0.000 0.429 1003 D N 0.734 121.134 120.400 -0.001 0.000 2.339 1003 D HA -0.077 4.563 4.640 0.000 0.000 0.217 1003 D C 1.293 177.593 176.300 -0.000 0.000 1.050 1003 D CA 0.504 54.504 54.000 -0.001 0.000 0.856 1003 D CB -0.014 40.785 40.800 -0.002 0.000 0.922 1003 D HN 0.423 nan 8.370 nan 0.000 0.518 1004 E N -0.345 119.855 120.200 0.000 0.000 2.472 1004 E HA 0.092 4.442 4.350 0.000 0.000 0.196 1004 E C 1.090 177.691 176.600 0.001 0.000 1.033 1004 E CA -0.136 56.265 56.400 0.001 0.000 0.886 1004 E CB 0.213 29.913 29.700 0.000 0.000 0.944 1004 E HN 0.044 nan 8.360 nan 0.000 0.492 1005 N N 0.831 119.532 118.700 0.002 0.000 2.416 1005 N HA -0.026 4.714 4.740 0.000 0.000 0.177 1005 N C 1.169 176.681 175.510 0.003 0.000 1.036 1005 N CA 0.708 53.759 53.050 0.002 0.000 0.901 1005 N CB 0.259 38.747 38.487 0.002 0.000 0.976 1005 N HN 0.120 nan 8.380 nan 0.000 0.444 1006 K N 0.566 120.968 120.400 0.002 0.000 2.005 1006 K HA 0.012 4.332 4.320 0.000 0.000 0.206 1006 K C 1.714 178.316 176.600 0.004 0.000 1.044 1006 K CA 0.883 57.172 56.287 0.003 0.000 0.942 1006 K CB -0.132 32.369 32.500 0.002 0.000 0.727 1006 K HN 0.145 nan 8.250 nan 0.000 0.439 1007 Q N 0.886 120.688 119.800 0.003 0.000 2.369 1007 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 1007 Q C 1.970 177.973 176.000 0.004 0.000 0.963 1007 Q CA 0.869 56.674 55.803 0.003 0.000 0.894 1007 Q CB 0.196 28.935 28.738 0.002 0.000 0.965 1007 Q HN 0.176 nan 8.270 nan 0.000 0.475 1008 K N 0.268 120.670 120.400 0.003 0.000 2.116 1008 K HA -0.023 4.297 4.320 0.000 0.000 0.203 1008 K C 1.602 178.205 176.600 0.005 0.000 1.052 1008 K CA 1.169 57.458 56.287 0.004 0.000 0.952 1008 K CB 0.051 32.553 32.500 0.003 0.000 0.729 1008 K HN 0.146 nan 8.250 nan 0.000 0.446 1009 A N 1.105 123.929 122.820 0.005 0.000 2.178 1009 A HA 0.047 4.367 4.320 0.000 0.000 0.211 1009 A C 1.844 179.433 177.584 0.009 0.000 1.157 1009 A CA 0.134 52.175 52.037 0.007 0.000 0.780 1009 A CB -0.175 18.829 19.000 0.007 0.000 0.828 1009 A HN 0.350 nan 8.150 nan 0.000 0.476 1010 L N -0.099 121.129 121.223 0.008 0.000 1.993 1010 L HA 0.067 4.407 4.340 0.000 0.000 0.206 1010 L C 2.488 179.365 176.870 0.012 0.000 1.074 1010 L CA 2.307 57.153 54.840 0.010 0.000 0.746 1010 L CB -0.638 41.426 42.059 0.008 0.000 0.896 1010 L HN 0.226 nan 8.230 nan 0.000 0.435 1011 A N -0.647 122.179 122.820 0.010 0.000 2.121 1011 A HA 0.061 4.381 4.320 0.000 0.000 0.218 1011 A C 2.276 179.866 177.584 0.010 0.000 1.154 1011 A CA 1.382 53.425 52.037 0.010 0.000 0.679 1011 A CB -0.993 18.012 19.000 0.007 0.000 0.795 1011 A HN 0.634 nan 8.150 nan 0.000 0.458 1012 A N -0.618 122.207 122.820 0.009 0.000 2.021 1012 A HA 0.410 4.730 4.320 0.000 0.000 0.216 1012 A C 2.325 179.915 177.584 0.010 0.000 1.163 1012 A CA 1.354 53.396 52.037 0.007 0.000 0.676 1012 A CB -0.551 18.453 19.000 0.005 0.000 0.818 1012 A HN 0.812 nan 8.150 nan 0.000 0.453 1013 A N -0.419 122.410 122.820 0.015 0.000 1.898 1013 A HA 0.168 4.488 4.320 0.000 0.000 0.214 1013 A C 1.969 179.572 177.584 0.032 0.000 1.183 1013 A CA 1.203 53.254 52.037 0.023 0.000 0.622 1013 A CB -0.573 18.442 19.000 0.025 0.000 0.824 1013 A HN 0.352 nan 8.150 nan 0.000 0.444 1014 L N 0.159 121.399 121.223 0.028 0.000 1.963 1014 L HA -0.211 4.129 4.340 0.000 0.000 0.220 1014 L C 2.739 179.629 176.870 0.033 0.000 1.076 1014 L CA 2.398 57.258 54.840 0.033 0.000 0.772 1014 L CB -0.978 41.095 42.059 0.024 0.000 0.892 1014 L HN 0.410 nan 8.230 nan 0.000 0.435 1015 G N -2.149 106.663 108.800 0.020 0.000 2.432 1015 G HA2 -0.347 3.613 3.960 0.000 0.000 0.219 1015 G HA3 -0.347 3.613 3.960 0.000 0.000 0.219 1015 G C 1.485 176.388 174.900 0.004 0.000 1.135 1015 G CA 0.929 46.036 45.100 0.012 0.000 0.767 1015 G HN 0.446 nan 8.290 nan 0.000 0.550 1016 Q N 0.450 120.253 119.800 0.005 0.000 2.050 1016 Q HA -0.021 4.319 4.340 0.000 0.000 0.202 1016 Q C 2.345 178.336 176.000 -0.015 0.000 0.980 1016 Q CA 1.414 57.210 55.803 -0.012 0.000 0.840 1016 Q CB -0.387 28.350 28.738 -0.001 0.000 0.898 1016 Q HN 0.527 nan 8.270 nan 0.000 0.424 1017 I N 0.272 120.874 120.570 0.053 0.000 2.252 1017 I HA -0.216 3.954 4.170 0.000 0.000 0.245 1017 I C 2.263 178.463 176.117 0.139 0.000 1.102 1017 I CA 1.368 62.761 61.300 0.156 0.000 1.385 1017 I CB -0.313 37.809 38.000 0.203 0.000 1.064 1017 I HN 0.302 nan 8.210 nan 0.000 0.414 1018 E N 0.733 120.982 120.200 0.082 0.000 2.118 1018 E HA -0.273 4.077 4.350 0.000 0.000 0.195 1018 E C 2.130 178.741 176.600 0.018 0.000 0.992 1018 E CA 1.133 57.572 56.400 0.065 0.000 0.804 1018 E CB -0.044 29.682 29.700 0.043 0.000 0.741 1018 E HN 0.332 nan 8.360 nan 0.000 0.458 1019 K N 0.465 120.847 120.400 -0.029 0.000 2.217 1019 K HA -0.124 4.196 4.320 0.000 0.000 0.202 1019 K C 1.988 178.503 176.600 -0.142 0.000 1.051 1019 K CA 0.839 57.088 56.287 -0.064 0.000 0.952 1019 K CB 0.196 32.660 32.500 -0.059 0.000 0.736 1019 K HN 0.117 nan 8.250 nan 0.000 0.453 1020 Q N -1.210 118.424 119.800 -0.277 0.000 2.123 1020 Q HA -0.027 4.313 4.340 0.000 0.000 0.196 1020 Q C 0.889 176.559 176.000 -0.551 0.000 0.958 1020 Q CA 1.083 56.533 55.803 -0.589 0.000 0.841 1020 Q CB 0.287 28.341 28.738 -1.139 0.000 0.915 1020 Q HN 0.222 nan 8.270 nan 0.000 0.455 1021 F N -1.178 118.780 119.950 0.012 0.000 2.728 1021 F HA 0.410 4.937 4.527 0.000 0.000 0.314 1021 F C 0.821 176.631 175.800 0.017 0.000 1.094 1021 F CA 0.367 58.377 58.000 0.016 0.000 1.217 1021 F CB 1.287 40.297 39.000 0.018 0.000 1.056 1021 F HN 0.040 nan 8.300 nan 0.000 0.577 1022 G N 0.188 109.071 108.800 0.137 0.000 2.408 1022 G HA2 -0.100 3.860 3.960 0.000 0.000 0.682 1022 G HA3 -0.100 3.860 3.960 0.000 0.000 0.682 1022 G C 0.408 175.354 174.900 0.077 0.000 1.303 1022 G CA -0.718 44.437 45.100 0.092 0.000 0.966 1022 G HN -0.157 nan 8.290 nan 0.000 0.560 1023 K N 0.040 120.473 120.400 0.056 0.000 1.975 1023 K HA -0.107 4.213 4.320 0.000 0.000 0.225 1023 K C 2.103 178.734 176.600 0.051 0.000 1.050 1023 K CA 1.922 58.236 56.287 0.045 0.000 0.992 1023 K CB -0.768 31.753 32.500 0.035 0.000 0.738 1023 K HN 1.057 nan 8.250 nan 0.000 0.446 1024 G N 1.250 110.081 108.800 0.051 0.000 3.882 1024 G HA2 0.108 4.068 3.960 0.000 0.000 0.283 1024 G HA3 0.108 4.068 3.960 0.000 0.000 0.283 1024 G C 1.053 175.988 174.900 0.058 0.000 1.283 1024 G CA 0.161 45.290 45.100 0.049 0.000 1.402 1024 G HN 0.317 nan 8.290 nan 0.000 0.618 1025 S N -0.004 115.742 115.700 0.077 0.000 2.368 1025 S HA 0.082 4.552 4.470 0.000 0.000 0.225 1025 S C 0.836 175.469 174.600 0.055 0.000 1.030 1025 S CA 0.481 58.731 58.200 0.084 0.000 0.999 1025 S CB 0.245 63.541 63.200 0.159 0.000 0.844 1025 S HN 0.385 nan 8.310 nan 0.000 0.459 1026 I N 1.217 121.823 120.570 0.059 0.000 2.656 1026 I HA 0.601 4.771 4.170 0.000 0.000 0.292 1026 I C -1.314 174.825 176.117 0.037 0.000 1.144 1026 I CA -1.296 60.030 61.300 0.043 0.000 1.038 1026 I CB 1.933 39.962 38.000 0.049 0.000 1.244 1026 I HN 0.499 nan 8.210 nan 0.000 0.420 1027 M N 4.097 123.714 119.600 0.027 0.000 2.949 1027 M HA 0.566 5.046 4.480 0.000 0.000 0.270 1027 M C -1.334 174.975 176.300 0.014 0.000 1.221 1027 M CA -1.075 54.238 55.300 0.021 0.000 0.818 1027 M CB 1.383 33.995 32.600 0.019 0.000 1.635 1027 M HN 0.278 nan 8.290 nan 0.000 0.492 1028 R N 0.920 121.426 120.500 0.009 0.000 2.590 1028 R HA 0.305 4.645 4.340 0.000 0.000 0.274 1028 R C 0.940 177.237 176.300 -0.005 0.000 1.061 1028 R CA -0.187 55.914 56.100 0.002 0.000 1.081 1028 R CB 0.336 30.636 30.300 0.000 0.000 0.984 1028 R HN 0.685 nan 8.270 nan 0.000 0.448 1029 L N 2.060 123.274 121.223 -0.015 0.000 1.989 1029 L HA -0.160 4.180 4.340 0.000 0.000 0.211 1029 L C 1.977 178.832 176.870 -0.024 0.000 1.071 1029 L CA 2.145 56.967 54.840 -0.031 0.000 0.749 1029 L CB -0.656 41.369 42.059 -0.057 0.000 0.890 1029 L HN 1.018 nan 8.230 nan 0.000 0.431 1030 G N -0.062 108.725 108.800 -0.021 0.000 2.517 1030 G HA2 -0.274 3.686 3.960 0.000 0.000 0.222 1030 G HA3 -0.274 3.686 3.960 0.000 0.000 0.222 1030 G C 0.887 175.781 174.900 -0.009 0.000 1.109 1030 G CA 1.011 46.102 45.100 -0.016 0.000 0.746 1030 G HN 0.726 nan 8.290 nan 0.000 0.576 1031 E N 0.030 120.227 120.200 -0.006 0.000 2.939 1031 E HA 0.223 4.573 4.350 0.000 0.000 0.215 1031 E C -1.060 175.541 176.600 0.002 0.000 1.025 1031 E CA -0.570 55.829 56.400 -0.001 0.000 1.259 1031 E CB 0.430 30.131 29.700 0.001 0.000 1.228 1031 E HN 0.052 nan 8.360 nan 0.000 0.443 1032 D N 1.378 121.777 120.400 -0.001 0.000 2.329 1032 D HA 0.156 4.796 4.640 0.000 0.000 0.232 1032 D C 0.649 176.953 176.300 0.006 0.000 1.088 1032 D CA -0.454 53.548 54.000 0.004 0.000 0.835 1032 D CB 1.026 41.826 40.800 0.001 0.000 1.078 1032 D HN 0.007 nan 8.370 nan 0.000 0.495 1033 R N 1.451 121.958 120.500 0.011 0.000 2.173 1033 R HA -0.024 4.316 4.340 0.000 0.000 0.208 1033 R C 1.899 178.208 176.300 0.015 0.000 1.035 1033 R CA 0.464 56.571 56.100 0.011 0.000 1.004 1033 R CB -0.597 29.710 30.300 0.011 0.000 0.917 1033 R HN 0.450 nan 8.270 nan 0.000 0.462 1034 S N -0.085 115.628 115.700 0.022 0.000 2.489 1034 S HA -0.064 4.406 4.470 0.000 0.000 0.228 1034 S C 1.895 176.514 174.600 0.031 0.000 0.995 1034 S CA 0.533 58.751 58.200 0.029 0.000 0.934 1034 S CB -0.015 63.210 63.200 0.041 0.000 0.771 1034 S HN 0.048 nan 8.310 nan 0.000 0.522 1035 M N 2.356 121.969 119.600 0.022 0.000 2.236 1035 M HA 0.174 4.654 4.480 0.000 0.000 0.266 1035 M C -0.570 175.736 176.300 0.010 0.000 1.070 1035 M CA 0.612 55.921 55.300 0.015 0.000 1.137 1035 M CB -0.730 31.868 32.600 -0.003 0.000 1.378 1035 M HN 0.031 nan 8.290 nan 0.000 0.426 1036 D N 1.061 121.466 120.400 0.008 0.000 2.648 1036 D HA -0.058 4.582 4.640 0.000 0.000 0.229 1036 D C -0.278 176.026 176.300 0.007 0.000 1.119 1036 D CA 0.307 54.311 54.000 0.005 0.000 0.850 1036 D CB 0.361 41.164 40.800 0.005 0.000 1.169 1036 D HN -0.032 nan 8.370 nan 0.000 0.489 1037 V N 3.407 123.323 119.914 0.004 0.000 2.399 1037 V HA -0.090 4.030 4.120 0.000 0.000 0.245 1037 V C 0.954 177.048 176.094 -0.001 0.000 1.089 1037 V CA 0.432 62.733 62.300 0.001 0.000 1.196 1037 V CB -0.817 31.005 31.823 -0.003 0.000 1.221 1037 V HN 0.392 nan 8.190 nan 0.000 0.482 1038 E N 3.848 124.049 120.200 0.001 0.000 2.200 1038 E HA 0.435 4.785 4.350 0.000 0.000 0.283 1038 E C 0.103 176.699 176.600 -0.005 0.000 1.015 1038 E CA -0.484 55.915 56.400 -0.002 0.000 0.819 1038 E CB 1.056 30.757 29.700 0.000 0.000 1.081 1038 E HN 0.717 nan 8.360 nan 0.000 0.397 1039 T N 2.401 116.949 114.554 -0.008 0.000 2.856 1039 T HA 0.532 4.882 4.350 0.000 0.000 0.283 1039 T C -0.118 174.574 174.700 -0.013 0.000 1.008 1039 T CA -0.959 61.134 62.100 -0.013 0.000 0.997 1039 T CB 0.944 69.802 68.868 -0.016 0.000 0.992 1039 T HN 0.239 nan 8.240 nan 0.000 0.454 1040 I N 1.951 122.512 120.570 -0.016 0.000 2.607 1040 I HA 0.417 4.587 4.170 0.000 0.000 0.305 1040 I C 1.022 177.129 176.117 -0.017 0.000 0.995 1040 I CA -0.728 60.562 61.300 -0.017 0.000 1.148 1040 I CB 1.823 39.811 38.000 -0.019 0.000 1.323 1040 I HN 0.868 nan 8.210 nan 0.000 0.461 1041 S N 1.951 117.643 115.700 -0.013 0.000 2.568 1041 S HA 0.063 4.533 4.470 0.000 0.000 0.282 1041 S C 1.331 175.925 174.600 -0.010 0.000 1.338 1041 S CA 0.081 58.281 58.200 0.000 0.000 1.045 1041 S CB 0.398 63.606 63.200 0.015 0.000 0.873 1041 S HN 0.771 nan 8.310 nan 0.000 0.516 1042 T N 1.410 115.956 114.554 -0.014 0.000 3.067 1042 T HA 0.318 4.668 4.350 0.000 0.000 0.257 1042 T C 1.475 176.158 174.700 -0.028 0.000 1.105 1042 T CA 0.591 62.671 62.100 -0.033 0.000 1.104 1042 T CB -0.274 68.554 68.868 -0.067 0.000 0.925 1042 T HN 1.494 nan 8.240 nan 0.000 0.498 1043 G N 0.547 109.360 108.800 0.022 0.000 2.175 1043 G HA2 -0.190 3.770 3.960 0.000 0.000 0.244 1043 G HA3 -0.190 3.770 3.960 0.000 0.000 0.244 1043 G C 0.141 175.085 174.900 0.073 0.000 0.982 1043 G CA 0.128 45.271 45.100 0.072 0.000 0.641 1043 G HN 1.042 nan 8.290 nan 0.000 0.527 1044 S N -0.478 115.137 115.700 -0.141 0.000 2.779 1044 S HA 0.601 5.071 4.470 0.000 0.000 0.293 1044 S C 1.006 175.344 174.600 -0.437 0.000 1.150 1044 S CA 0.083 57.997 58.200 -0.478 0.000 1.057 1044 S CB 1.274 63.922 63.200 -0.921 0.000 1.021 1044 S HN 0.897 nan 8.310 nan 0.000 0.485 1045 L N 5.636 126.464 121.223 -0.658 0.000 1.976 1045 L HA -0.027 4.313 4.340 0.000 0.000 0.209 1045 L C 2.717 179.401 176.870 -0.311 0.000 1.071 1045 L CA 2.906 57.417 54.840 -0.549 0.000 0.746 1045 L CB -0.937 40.655 42.059 -0.778 0.000 0.890 1045 L HN 0.902 nan 8.230 nan 0.000 0.432 1046 S N -1.044 114.491 115.700 -0.276 0.000 2.420 1046 S HA -0.263 4.207 4.470 0.000 0.000 0.237 1046 S C 2.086 176.627 174.600 -0.098 0.000 1.023 1046 S CA 1.720 59.840 58.200 -0.133 0.000 0.991 1046 S CB -1.058 62.114 63.200 -0.048 0.000 0.792 1046 S HN 0.515 nan 8.310 nan 0.000 0.488 1047 L N 1.398 122.529 121.223 -0.153 0.000 2.023 1047 L HA -0.079 4.261 4.340 0.000 0.000 0.205 1047 L C 2.215 179.028 176.870 -0.095 0.000 1.073 1047 L CA 1.893 56.671 54.840 -0.104 0.000 0.745 1047 L CB -0.517 41.452 42.059 -0.151 0.000 0.900 1047 L HN 0.228 nan 8.230 nan 0.000 0.435 1048 D N 0.115 120.444 120.400 -0.118 0.000 2.158 1048 D HA -0.240 4.400 4.640 0.000 0.000 0.197 1048 D C 2.207 178.466 176.300 -0.069 0.000 0.995 1048 D CA 1.653 55.602 54.000 -0.084 0.000 0.846 1048 D CB -0.118 40.634 40.800 -0.079 0.000 0.941 1048 D HN 0.417 nan 8.370 nan 0.000 0.456 1049 I N 1.343 121.866 120.570 -0.078 0.000 2.142 1049 I HA -0.259 3.911 4.170 0.000 0.000 0.240 1049 I C 2.575 178.670 176.117 -0.036 0.000 1.078 1049 I CA 1.119 62.387 61.300 -0.054 0.000 1.343 1049 I CB -0.177 37.788 38.000 -0.058 0.000 1.046 1049 I HN -0.080 nan 8.210 nan 0.000 0.405 1050 A N 0.499 123.298 122.820 -0.035 0.000 1.972 1050 A HA -0.161 4.159 4.320 0.000 0.000 0.219 1050 A C 2.248 179.809 177.584 -0.038 0.000 1.169 1050 A CA 1.303 53.327 52.037 -0.022 0.000 0.635 1050 A CB -0.848 18.145 19.000 -0.012 0.000 0.810 1050 A HN 0.412 nan 8.150 nan 0.000 0.446 1051 L N -1.525 119.668 121.223 -0.051 0.000 2.191 1051 L HA -0.062 4.278 4.340 0.000 0.000 0.212 1051 L C 2.264 179.100 176.870 -0.057 0.000 1.103 1051 L CA 0.979 55.782 54.840 -0.062 0.000 0.769 1051 L CB -0.405 41.618 42.059 -0.060 0.000 0.908 1051 L HN 0.627 nan 8.230 nan 0.000 0.438 1052 G N -0.831 107.944 108.800 -0.040 0.000 2.396 1052 G HA2 -0.402 3.558 3.960 0.000 0.000 0.242 1052 G HA3 -0.402 3.558 3.960 0.000 0.000 0.242 1052 G C 0.948 175.832 174.900 -0.026 0.000 1.069 1052 G CA 0.469 45.551 45.100 -0.029 0.000 0.633 1052 G HN 0.508 nan 8.290 nan 0.000 0.517 1053 A N 0.280 123.079 122.820 -0.035 0.000 2.387 1053 A HA 0.623 4.943 4.320 0.000 0.000 0.234 1053 A C 2.321 179.890 177.584 -0.025 0.000 1.253 1053 A CA 1.608 53.629 52.037 -0.028 0.000 0.894 1053 A CB -0.397 18.582 19.000 -0.034 0.000 0.963 1053 A HN 2.490 nan 8.150 nan 0.000 0.508 1054 G N -2.272 106.510 108.800 -0.029 0.000 2.143 1054 G HA2 0.241 4.201 3.960 0.000 0.000 0.249 1054 G HA3 0.241 4.201 3.960 0.000 0.000 0.249 1054 G C 0.988 175.872 174.900 -0.028 0.000 0.981 1054 G CA 0.527 45.611 45.100 -0.027 0.000 0.665 1054 G HN 2.215 nan 8.290 nan 0.000 0.528 1055 G N -1.597 107.183 108.800 -0.034 0.000 2.345 1055 G HA2 0.478 4.438 3.960 0.000 0.000 0.285 1055 G HA3 0.478 4.438 3.960 0.000 0.000 0.285 1055 G C -0.909 173.971 174.900 -0.034 0.000 1.297 1055 G CA -0.488 44.592 45.100 -0.033 0.000 0.875 1055 G HN 0.921 nan 8.290 nan 0.000 0.506 1056 L N 2.265 123.470 121.223 -0.029 0.000 2.276 1056 L HA 0.411 4.752 4.340 0.000 0.000 0.286 1056 L C -1.868 174.991 176.870 -0.019 0.000 1.061 1056 L CA -1.763 53.061 54.840 -0.027 0.000 0.807 1056 L CB 1.525 43.570 42.059 -0.024 0.000 1.177 1056 L HN 0.298 nan 8.230 nan 0.000 0.429 1057 P HA 0.056 nan 4.420 nan 0.000 0.271 1057 P C -0.669 176.631 177.300 0.000 0.000 1.220 1057 P CA -0.266 62.829 63.100 -0.008 0.000 0.768 1057 P CB 0.712 32.408 31.700 -0.007 0.000 0.848 1058 M N 2.163 121.764 119.600 0.001 0.000 2.217 1058 M HA 0.250 4.730 4.480 0.000 0.000 0.354 1058 M C 1.633 177.941 176.300 0.014 0.000 1.225 1058 M CA 0.536 55.838 55.300 0.004 0.000 1.137 1058 M CB -0.487 32.114 32.600 0.001 0.000 1.576 1058 M HN 0.832 nan 8.290 nan 0.000 0.461 1059 G N 2.399 111.207 108.800 0.014 0.000 2.176 1059 G HA2 -0.195 3.765 3.960 0.000 0.000 0.253 1059 G HA3 -0.195 3.765 3.960 0.000 0.000 0.253 1059 G C 0.354 175.278 174.900 0.040 0.000 0.979 1059 G CA -0.126 44.986 45.100 0.021 0.000 0.641 1059 G HN 0.547 nan 8.290 nan 0.000 0.530 1060 R N -0.697 119.830 120.500 0.044 0.000 2.893 1060 R HA 0.807 5.147 4.340 0.000 0.000 0.245 1060 R C -0.244 176.106 176.300 0.083 0.000 1.192 1060 R CA -0.940 55.202 56.100 0.069 0.000 1.077 1060 R CB 0.509 30.840 30.300 0.053 0.000 1.253 1060 R HN 0.184 nan 8.270 nan 0.000 0.505 1061 I N 0.202 120.844 120.570 0.121 0.000 2.441 1061 I HA 0.336 4.506 4.170 0.000 0.000 0.295 1061 I C -0.292 175.905 176.117 0.134 0.000 0.994 1061 I CA -0.672 60.728 61.300 0.167 0.000 1.144 1061 I CB 1.847 39.992 38.000 0.242 0.000 1.314 1061 I HN 0.044 nan 8.210 nan 0.000 0.445 1062 V N 4.828 124.824 119.914 0.136 0.000 2.588 1062 V HA 0.429 4.549 4.120 0.000 0.000 0.304 1062 V C -0.338 175.836 176.094 0.133 0.000 1.042 1062 V CA -0.736 61.616 62.300 0.086 0.000 0.877 1062 V CB 1.845 33.684 31.823 0.027 0.000 0.996 1062 V HN 0.757 nan 8.190 nan 0.000 0.425 1063 E N 4.267 124.523 120.200 0.092 0.000 2.151 1063 E HA 0.620 4.970 4.350 0.000 0.000 0.275 1063 E C -1.386 175.223 176.600 0.014 0.000 0.936 1063 E CA -0.570 55.897 56.400 0.111 0.000 0.777 1063 E CB 1.398 31.171 29.700 0.121 0.000 1.108 1063 E HN 0.635 nan 8.360 nan 0.000 0.401 1064 I N 5.761 126.351 120.570 0.034 0.000 2.389 1064 I HA 0.295 4.465 4.170 0.000 0.000 0.288 1064 I C -0.893 175.256 176.117 0.054 0.000 0.999 1064 I CA -0.975 60.300 61.300 -0.042 0.000 1.129 1064 I CB 0.633 38.630 38.000 -0.005 0.000 1.288 1064 I HN 0.477 nan 8.210 nan 0.000 0.444 1065 Y N 4.235 124.563 120.300 0.047 0.000 2.602 1065 Y HA 1.009 5.559 4.550 0.000 0.000 0.342 1065 Y C -0.122 175.827 175.900 0.082 0.000 1.029 1065 Y CA -1.672 56.462 58.100 0.057 0.000 1.080 1065 Y CB 1.712 40.187 38.460 0.025 0.000 1.284 1065 Y HN 0.672 nan 8.280 nan 0.000 0.485 1066 G N 0.487 109.552 108.800 0.441 0.000 2.316 1066 G HA2 0.418 4.378 3.960 0.000 0.000 0.296 1066 G HA3 0.418 4.378 3.960 0.000 0.000 0.296 1066 G C -3.562 171.572 174.900 0.391 0.000 1.399 1066 G CA -1.356 43.952 45.100 0.346 0.000 0.833 1066 G HN 0.498 nan 8.290 nan 0.000 0.565 1067 P HA 0.250 nan 4.420 nan 0.000 0.269 1067 P C -0.161 177.035 177.300 -0.173 0.000 1.217 1067 P CA -0.037 63.128 63.100 0.108 0.000 0.783 1067 P CB 0.240 31.954 31.700 0.024 0.000 0.898 1068 E N 0.597 120.184 120.200 -1.021 0.000 2.502 1068 E HA 0.105 4.455 4.350 0.000 0.000 0.261 1068 E C 0.456 176.872 176.600 -0.307 0.000 0.974 1068 E CA 0.258 56.108 56.400 -0.916 0.000 0.936 1068 E CB -0.590 28.461 29.700 -1.082 0.000 0.926 1068 E HN 0.297 nan 8.360 nan 0.000 0.459 1069 S N 0.458 116.071 115.700 -0.145 0.000 2.981 1069 S HA -0.284 4.186 4.470 0.000 0.000 0.274 1069 S C 1.450 176.073 174.600 0.038 0.000 1.297 1069 S CA 1.189 59.364 58.200 -0.041 0.000 1.266 1069 S CB -1.775 61.392 63.200 -0.054 0.000 1.542 1069 S HN 0.784 nan 8.310 nan 0.000 0.674 1070 S N 0.541 116.263 115.700 0.037 0.000 2.359 1070 S HA 0.218 4.688 4.470 0.000 0.000 0.224 1070 S C 1.746 176.407 174.600 0.102 0.000 1.035 1070 S CA 1.617 59.860 58.200 0.072 0.000 1.018 1070 S CB -0.515 62.740 63.200 0.091 0.000 0.876 1070 S HN 2.078 nan 8.310 nan 0.000 0.448 1071 G N 0.429 109.305 108.800 0.127 0.000 2.240 1071 G HA2 -0.094 3.867 3.960 0.000 0.000 0.181 1071 G HA3 -0.094 3.867 3.960 0.000 0.000 0.181 1071 G C 0.518 175.517 174.900 0.164 0.000 1.028 1071 G CA 0.135 45.334 45.100 0.164 0.000 0.760 1071 G HN 0.435 nan 8.290 nan 0.000 0.508 1072 K N 0.067 120.558 120.400 0.151 0.000 1.987 1072 K HA -0.098 4.223 4.320 0.000 0.000 0.216 1072 K C 2.579 179.268 176.600 0.148 0.000 1.051 1072 K CA 2.170 58.542 56.287 0.142 0.000 0.942 1072 K CB -0.443 32.149 32.500 0.154 0.000 0.722 1072 K HN 0.240 nan 8.250 nan 0.000 0.444 1073 T N 0.973 115.630 114.554 0.171 0.000 2.665 1073 T HA -0.182 4.168 4.350 0.000 0.000 0.268 1073 T C 1.957 176.789 174.700 0.220 0.000 1.035 1073 T CA 2.030 64.263 62.100 0.220 0.000 1.151 1073 T CB -0.586 68.425 68.868 0.238 0.000 0.862 1073 T HN 0.334 nan 8.240 nan 0.000 0.438 1074 T N 2.568 117.251 114.554 0.216 0.000 2.570 1074 T HA -0.119 4.231 4.350 0.000 0.000 0.266 1074 T C 1.883 176.678 174.700 0.158 0.000 1.071 1074 T CA 1.358 63.586 62.100 0.214 0.000 1.172 1074 T CB -0.760 68.269 68.868 0.269 0.000 0.864 1074 T HN 0.234 nan 8.240 nan 0.000 0.421 1075 L N 0.342 121.661 121.223 0.162 0.000 2.013 1075 L HA -0.237 4.103 4.340 0.000 0.000 0.212 1075 L C 2.699 179.622 176.870 0.088 0.000 1.073 1075 L CA 1.864 56.779 54.840 0.124 0.000 0.753 1075 L CB -0.910 41.227 42.059 0.130 0.000 0.890 1075 L HN 0.346 nan 8.230 nan 0.000 0.432 1076 T N 0.447 115.062 114.554 0.101 0.000 2.592 1076 T HA -0.304 4.046 4.350 0.000 0.000 0.267 1076 T C 1.803 176.568 174.700 0.109 0.000 1.060 1076 T CA 2.315 64.470 62.100 0.091 0.000 1.167 1076 T CB -0.398 68.543 68.868 0.122 0.000 0.863 1076 T HN 0.307 nan 8.240 nan 0.000 0.431 1077 L N 0.757 122.066 121.223 0.143 0.000 2.131 1077 L HA -0.111 4.229 4.340 0.000 0.000 0.210 1077 L C 2.961 179.850 176.870 0.031 0.000 1.092 1077 L CA 1.138 56.037 54.840 0.098 0.000 0.759 1077 L CB -0.481 41.606 42.059 0.048 0.000 0.903 1077 L HN 0.245 nan 8.230 nan 0.000 0.435 1078 Q N -0.414 119.401 119.800 0.025 0.000 2.224 1078 Q HA -0.134 4.206 4.340 0.000 0.000 0.203 1078 Q C 2.381 178.374 176.000 -0.013 0.000 0.970 1078 Q CA 1.797 57.598 55.803 -0.004 0.000 0.865 1078 Q CB -0.215 28.528 28.738 0.009 0.000 0.922 1078 Q HN 0.633 nan 8.270 nan 0.000 0.445 1079 V N -2.568 117.347 119.914 0.001 0.000 2.788 1079 V HA -0.068 4.052 4.120 0.000 0.000 0.251 1079 V C 1.984 178.071 176.094 -0.012 0.000 1.068 1079 V CA 0.741 63.035 62.300 -0.010 0.000 1.090 1079 V CB -0.452 31.366 31.823 -0.009 0.000 0.710 1079 V HN 0.133 nan 8.190 nan 0.000 0.467 1080 I N 1.143 121.716 120.570 0.005 0.000 2.163 1080 I HA -0.103 4.067 4.170 0.000 0.000 0.240 1080 I C 3.027 179.135 176.117 -0.016 0.000 1.081 1080 I CA 1.556 62.862 61.300 0.009 0.000 1.353 1080 I CB -0.741 37.289 38.000 0.051 0.000 1.054 1080 I HN 0.406 nan 8.210 nan 0.000 0.407 1081 A N 1.034 123.837 122.820 -0.029 0.000 1.869 1081 A HA -0.273 4.047 4.320 0.000 0.000 0.218 1081 A C 2.405 179.950 177.584 -0.065 0.000 1.203 1081 A CA 2.372 54.377 52.037 -0.052 0.000 0.638 1081 A CB -1.036 17.924 19.000 -0.067 0.000 0.831 1081 A HN 0.466 nan 8.150 nan 0.000 0.450 1082 A N -1.218 121.557 122.820 -0.075 0.000 2.209 1082 A HA 0.401 4.721 4.320 0.000 0.000 0.212 1082 A C 2.149 179.694 177.584 -0.065 0.000 1.158 1082 A CA 1.528 53.509 52.037 -0.094 0.000 0.742 1082 A CB -0.601 18.329 19.000 -0.116 0.000 0.790 1082 A HN 0.984 nan 8.150 nan 0.000 0.472 1083 A N -0.864 121.929 122.820 -0.046 0.000 1.943 1083 A HA -0.000 4.320 4.320 0.000 0.000 0.213 1083 A C 1.971 179.535 177.584 -0.034 0.000 1.181 1083 A CA 0.997 53.013 52.037 -0.035 0.000 0.653 1083 A CB -0.281 18.705 19.000 -0.025 0.000 0.833 1083 A HN 0.522 nan 8.150 nan 0.000 0.451 1084 Q N -0.977 118.803 119.800 -0.034 0.000 2.369 1084 Q HA -0.035 4.305 4.340 0.000 0.000 0.206 1084 Q C 1.979 177.955 176.000 -0.040 0.000 0.963 1084 Q CA 0.785 56.568 55.803 -0.032 0.000 0.894 1084 Q CB -0.007 28.713 28.738 -0.030 0.000 0.965 1084 Q HN 0.497 nan 8.270 nan 0.000 0.475 1085 R N 0.727 121.196 120.500 -0.052 0.000 2.236 1085 R HA -0.045 4.295 4.340 0.000 0.000 0.208 1085 R C 0.634 176.901 176.300 -0.054 0.000 1.036 1085 R CA 0.865 56.929 56.100 -0.061 0.000 1.001 1085 R CB 0.389 30.636 30.300 -0.088 0.000 0.896 1085 R HN 0.164 nan 8.270 nan 0.000 0.464 1086 E N -1.474 118.698 120.200 -0.046 0.000 2.624 1086 E HA 0.193 4.543 4.350 0.000 0.000 0.210 1086 E C -0.064 176.519 176.600 -0.028 0.000 0.997 1086 E CA 0.265 56.642 56.400 -0.037 0.000 0.999 1086 E CB 1.244 30.922 29.700 -0.037 0.000 1.040 1086 E HN 0.375 nan 8.360 nan 0.000 0.469 1087 G N 2.482 111.266 108.800 -0.027 0.000 2.225 1087 G HA2 -0.305 3.655 3.960 0.000 0.000 0.264 1087 G HA3 -0.305 3.655 3.960 0.000 0.000 0.264 1087 G C -0.148 174.742 174.900 -0.018 0.000 1.060 1087 G CA 0.333 45.420 45.100 -0.021 0.000 0.833 1087 G HN 0.106 nan 8.290 nan 0.000 0.498 1088 K N 0.140 120.528 120.400 -0.019 0.000 2.208 1088 K HA 0.616 4.936 4.320 0.000 0.000 0.247 1088 K C 0.135 176.727 176.600 -0.013 0.000 0.953 1088 K CA -0.518 55.760 56.287 -0.015 0.000 0.837 1088 K CB 1.440 33.930 32.500 -0.017 0.000 1.131 1088 K HN 0.166 nan 8.250 nan 0.000 0.431 1089 T N 0.302 114.850 114.554 -0.010 0.000 2.837 1089 T HA 0.370 4.720 4.350 0.000 0.000 0.285 1089 T C -0.163 174.534 174.700 -0.006 0.000 0.984 1089 T CA -0.705 61.391 62.100 -0.007 0.000 1.049 1089 T CB 0.344 69.209 68.868 -0.005 0.000 0.947 1089 T HN 0.510 nan 8.240 nan 0.000 0.472 1090 C N 2.193 121.494 119.300 0.002 0.000 2.456 1090 C HA 0.940 5.400 4.460 0.000 0.000 0.325 1090 C C 0.526 175.531 174.990 0.025 0.000 1.217 1090 C CA -0.940 58.084 59.018 0.010 0.000 1.687 1090 C CB 0.568 28.324 27.740 0.025 0.000 2.270 1090 C HN 1.120 nan 8.230 nan 0.000 0.499 1091 A N 1.759 124.589 122.820 0.016 0.000 2.365 1091 A HA 0.887 5.207 4.320 0.000 0.000 0.318 1091 A C -1.361 176.250 177.584 0.045 0.000 1.091 1091 A CA -0.284 51.770 52.037 0.029 0.000 0.763 1091 A CB 0.975 19.968 19.000 -0.011 0.000 1.248 1091 A HN 0.833 nan 8.150 nan 0.000 0.442 1092 F N 2.737 122.644 119.950 -0.072 0.000 2.529 1092 F HA 0.593 5.120 4.527 0.000 0.000 0.320 1092 F C -0.729 175.013 175.800 -0.096 0.000 1.118 1092 F CA -0.834 57.116 58.000 -0.083 0.000 0.915 1092 F CB 1.627 40.589 39.000 -0.063 0.000 1.161 1092 F HN 0.375 nan 8.300 nan 0.000 0.445 1093 I N 4.600 125.023 120.570 -0.245 0.000 2.442 1093 I HA 0.132 4.302 4.170 0.000 0.000 0.279 1093 I C -0.191 175.881 176.117 -0.076 0.000 1.081 1093 I CA -0.421 60.800 61.300 -0.132 0.000 1.197 1093 I CB 0.407 38.278 38.000 -0.215 0.000 1.394 1093 I HN 0.516 nan 8.210 nan 0.000 0.488 1094 D N 4.827 125.338 120.400 0.186 0.000 2.767 1094 D HA 0.250 4.890 4.640 0.000 0.000 0.231 1094 D C 1.428 177.649 176.300 -0.133 0.000 1.105 1094 D CA 0.076 54.187 54.000 0.185 0.000 1.024 1094 D CB 0.652 41.529 40.800 0.128 0.000 1.123 1094 D HN 0.587 nan 8.370 nan 0.000 0.470 1095 A N 1.766 124.524 122.820 -0.103 0.000 2.070 1095 A HA -0.156 4.164 4.320 0.000 0.000 0.220 1095 A C 1.986 179.580 177.584 0.016 0.000 1.159 1095 A CA 0.923 52.906 52.037 -0.090 0.000 0.656 1095 A CB -0.290 18.694 19.000 -0.025 0.000 0.800 1095 A HN 0.515 nan 8.150 nan 0.000 0.453 1096 E N -1.090 119.106 120.200 -0.006 0.000 2.274 1096 E HA -0.135 4.215 4.350 0.000 0.000 0.194 1096 E C -0.434 176.259 176.600 0.154 0.000 0.996 1096 E CA 0.239 56.638 56.400 -0.002 0.000 0.840 1096 E CB -0.143 29.526 29.700 -0.052 0.000 0.772 1096 E HN 0.688 nan 8.360 nan 0.000 0.491 1097 H N -1.948 117.156 119.070 0.056 0.000 2.677 1097 H HA -0.199 4.357 4.556 0.000 0.000 0.321 1097 H C -0.362 174.994 175.328 0.047 0.000 1.171 1097 H CA 0.679 56.763 56.048 0.059 0.000 1.139 1097 H CB -1.469 28.334 29.762 0.069 0.000 1.515 1097 H HN 0.265 nan 8.280 nan 0.000 0.423 1098 A N 0.691 123.570 122.820 0.098 0.000 2.683 1098 A HA 0.257 4.577 4.320 0.000 0.000 0.207 1098 A C -0.151 177.450 177.584 0.028 0.000 0.945 1098 A CA -0.499 51.577 52.037 0.064 0.000 1.233 1098 A CB 0.423 19.460 19.000 0.063 0.000 1.227 1098 A HN 0.136 nan 8.150 nan 0.000 0.470 1099 L N 0.919 122.134 121.223 -0.012 0.000 2.290 1099 L HA 0.580 4.920 4.340 0.000 0.000 0.284 1099 L C -0.525 176.304 176.870 -0.068 0.000 1.078 1099 L CA -0.030 54.753 54.840 -0.095 0.000 0.815 1099 L CB 0.948 42.812 42.059 -0.325 0.000 1.162 1099 L HN 0.232 nan 8.230 nan 0.000 0.435 1100 D N 7.330 127.718 120.400 -0.020 0.000 2.339 1100 D HA 0.238 4.878 4.640 0.000 0.000 0.241 1100 D C -1.808 174.495 176.300 0.006 0.000 1.183 1100 D CA -2.109 51.900 54.000 0.015 0.000 0.859 1100 D CB 1.595 42.429 40.800 0.057 0.000 1.067 1100 D HN 0.359 nan 8.370 nan 0.000 0.484 1101 P HA -0.196 nan 4.420 nan 0.000 0.212 1101 P C 1.742 179.039 177.300 -0.006 0.000 1.178 1101 P CA 0.895 63.971 63.100 -0.040 0.000 0.915 1101 P CB 0.346 32.027 31.700 -0.032 0.000 0.788 1102 I N -1.782 118.802 120.570 0.023 0.000 2.185 1102 I HA -0.288 3.882 4.170 0.000 0.000 0.246 1102 I C 2.737 178.907 176.117 0.087 0.000 1.088 1102 I CA 1.725 63.051 61.300 0.043 0.000 1.347 1102 I CB -1.325 36.703 38.000 0.047 0.000 1.041 1102 I HN -0.106 nan 8.210 nan 0.000 0.415 1103 Y N 1.240 121.525 120.300 -0.026 0.000 2.163 1103 Y HA -0.224 4.326 4.550 0.000 0.000 0.288 1103 Y C 2.525 178.412 175.900 -0.022 0.000 1.136 1103 Y CA 1.160 59.252 58.100 -0.013 0.000 1.147 1103 Y CB -0.844 37.611 38.460 -0.008 0.000 0.987 1103 Y HN 0.131 nan 8.280 nan 0.000 0.509 1104 A N 0.683 123.482 122.820 -0.035 0.000 1.940 1104 A HA -0.321 3.999 4.320 0.000 0.000 0.221 1104 A C 2.458 179.953 177.584 -0.149 0.000 1.190 1104 A CA 2.267 54.221 52.037 -0.138 0.000 0.647 1104 A CB -0.937 17.985 19.000 -0.131 0.000 0.821 1104 A HN 0.532 nan 8.150 nan 0.000 0.457 1105 R N -0.255 120.189 120.500 -0.094 0.000 2.073 1105 R HA -0.126 4.214 4.340 0.000 0.000 0.234 1105 R C 1.928 178.169 176.300 -0.098 0.000 1.134 1105 R CA 1.828 57.882 56.100 -0.077 0.000 0.952 1105 R CB -0.261 30.015 30.300 -0.040 0.000 0.850 1105 R HN 0.546 nan 8.270 nan 0.000 0.433 1106 K N 0.264 120.594 120.400 -0.117 0.000 2.442 1106 K HA -0.047 4.273 4.320 0.000 0.000 0.198 1106 K C 1.520 178.003 176.600 -0.196 0.000 1.042 1106 K CA 0.594 56.810 56.287 -0.119 0.000 0.958 1106 K CB 0.116 32.589 32.500 -0.045 0.000 0.766 1106 K HN 0.274 nan 8.250 nan 0.000 0.474 1107 L N -0.578 120.483 121.223 -0.271 0.000 2.607 1107 L HA 0.140 4.480 4.340 0.000 0.000 0.228 1107 L C 0.912 177.703 176.870 -0.133 0.000 1.123 1107 L CA 0.196 54.895 54.840 -0.235 0.000 0.890 1107 L CB 0.238 42.113 42.059 -0.307 0.000 1.103 1107 L HN 0.373 nan 8.230 nan 0.000 0.468 1108 G N 0.500 109.234 108.800 -0.110 0.000 2.132 1108 G HA2 -0.225 3.735 3.960 0.000 0.000 0.234 1108 G HA3 -0.225 3.735 3.960 0.000 0.000 0.234 1108 G C 0.080 174.935 174.900 -0.075 0.000 0.989 1108 G CA -0.084 44.967 45.100 -0.082 0.000 0.676 1108 G HN 0.091 nan 8.290 nan 0.000 0.522 1109 V N 0.629 120.495 119.914 -0.081 0.000 2.546 1109 V HA 0.425 4.545 4.120 0.000 0.000 0.284 1109 V C 0.433 176.494 176.094 -0.055 0.000 1.050 1109 V CA -0.441 61.821 62.300 -0.065 0.000 0.981 1109 V CB 1.741 33.521 31.823 -0.072 0.000 0.990 1109 V HN 0.268 nan 8.190 nan 0.000 0.474 1110 D N 3.880 124.254 120.400 -0.043 0.000 2.435 1110 D HA 0.202 4.842 4.640 0.000 0.000 0.230 1110 D C 1.121 177.400 176.300 -0.035 0.000 1.215 1110 D CA -0.275 53.703 54.000 -0.036 0.000 0.947 1110 D CB 0.505 41.288 40.800 -0.030 0.000 1.048 1110 D HN 0.281 nan 8.370 nan 0.000 0.512 1111 I N 2.132 122.678 120.570 -0.040 0.000 2.208 1111 I HA -0.233 3.937 4.170 0.000 0.000 0.245 1111 I C 1.549 177.648 176.117 -0.030 0.000 1.097 1111 I CA 1.131 62.406 61.300 -0.042 0.000 1.363 1111 I CB -0.596 37.379 38.000 -0.041 0.000 1.051 1111 I HN 0.355 nan 8.210 nan 0.000 0.413 1112 D N 0.560 120.946 120.400 -0.023 0.000 2.219 1112 D HA -0.131 4.509 4.640 0.000 0.000 0.205 1112 D C 1.623 177.915 176.300 -0.013 0.000 0.970 1112 D CA 0.908 54.898 54.000 -0.017 0.000 0.851 1112 D CB -0.190 40.601 40.800 -0.014 0.000 0.943 1112 D HN 0.301 nan 8.370 nan 0.000 0.488 1113 N N -0.066 118.625 118.700 -0.015 0.000 2.205 1113 N HA 0.036 4.776 4.740 0.000 0.000 0.201 1113 N C -0.106 175.401 175.510 -0.006 0.000 1.128 1113 N CA -0.144 52.900 53.050 -0.010 0.000 0.867 1113 N CB 0.865 39.344 38.487 -0.012 0.000 0.996 1113 N HN 0.142 nan 8.380 nan 0.000 0.503 1114 L N 2.167 123.385 121.223 -0.008 0.000 2.265 1114 L HA 0.375 4.715 4.340 0.000 0.000 0.288 1114 L C -0.374 176.503 176.870 0.012 0.000 1.058 1114 L CA -0.219 54.623 54.840 0.003 0.000 0.809 1114 L CB 0.452 42.505 42.059 -0.008 0.000 1.179 1114 L HN -0.052 nan 8.230 nan 0.000 0.429 1115 L N 5.277 126.516 121.223 0.027 0.000 2.416 1115 L HA 0.190 4.530 4.340 0.000 0.000 0.272 1115 L C -0.175 176.730 176.870 0.060 0.000 1.161 1115 L CA 0.029 54.888 54.840 0.032 0.000 0.845 1115 L CB 1.254 43.329 42.059 0.027 0.000 1.119 1115 L HN 0.756 nan 8.230 nan 0.000 0.464 1116 C N 3.443 122.771 119.300 0.046 0.000 2.481 1116 C HA 0.617 5.077 4.460 0.000 0.000 0.324 1116 C C -0.191 174.824 174.990 0.042 0.000 1.170 1116 C CA -0.456 58.601 59.018 0.064 0.000 1.361 1116 C CB 1.377 29.121 27.740 0.007 0.000 1.977 1116 C HN 0.806 nan 8.230 nan 0.000 0.459 1117 S N 4.266 119.995 115.700 0.049 0.000 2.502 1117 S HA 0.546 5.016 4.470 0.000 0.000 0.304 1117 S C -0.922 173.652 174.600 -0.043 0.000 1.097 1117 S CA -0.273 57.926 58.200 -0.001 0.000 1.045 1117 S CB 1.239 64.424 63.200 -0.026 0.000 1.019 1117 S HN 0.867 nan 8.310 nan 0.000 0.481 1118 Q N 4.786 124.543 119.800 -0.071 0.000 2.636 1118 Q HA 0.327 4.667 4.340 0.000 0.000 0.233 1118 Q C -2.351 173.608 176.000 -0.069 0.000 1.143 1118 Q CA -1.967 53.718 55.803 -0.197 0.000 0.969 1118 Q CB 1.199 29.850 28.738 -0.146 0.000 1.185 1118 Q HN 0.538 nan 8.270 nan 0.000 0.546 1119 P HA 0.032 nan 4.420 nan 0.000 0.278 1119 P C -0.280 177.061 177.300 0.068 0.000 1.238 1119 P CA -0.149 62.923 63.100 -0.047 0.000 0.794 1119 P CB 1.460 33.087 31.700 -0.122 0.000 0.955 1120 D N 0.242 120.668 120.400 0.042 0.000 2.085 1120 D HA -0.051 4.589 4.640 0.000 0.000 0.199 1120 D C 0.997 177.327 176.300 0.050 0.000 0.981 1120 D CA 1.705 55.749 54.000 0.074 0.000 0.834 1120 D CB -0.477 40.352 40.800 0.047 0.000 0.992 1120 D HN 0.496 nan 8.370 nan 0.000 0.457 1121 T N -2.540 112.008 114.554 -0.010 0.000 2.929 1121 T HA 0.506 4.856 4.350 0.000 0.000 0.284 1121 T C 1.361 176.037 174.700 -0.040 0.000 1.014 1121 T CA -0.355 61.734 62.100 -0.017 0.000 1.051 1121 T CB 2.031 70.885 68.868 -0.023 0.000 1.028 1121 T HN 0.004 nan 8.240 nan 0.000 0.485 1122 G N 0.986 109.777 108.800 -0.015 0.000 2.418 1122 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 1122 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 1122 G C 1.140 176.019 174.900 -0.036 0.000 1.158 1122 G CA 0.719 45.811 45.100 -0.013 0.000 0.771 1122 G HN 0.816 nan 8.290 nan 0.000 0.545 1123 E N 0.087 120.268 120.200 -0.033 0.000 2.048 1123 E HA -0.216 4.134 4.350 0.000 0.000 0.202 1123 E C 2.410 178.955 176.600 -0.091 0.000 1.021 1123 E CA 1.616 58.001 56.400 -0.025 0.000 0.825 1123 E CB -0.341 29.363 29.700 0.006 0.000 0.756 1123 E HN 0.609 nan 8.360 nan 0.000 0.454 1124 Q N 0.068 119.744 119.800 -0.206 0.000 2.029 1124 Q HA -0.320 4.020 4.340 0.000 0.000 0.209 1124 Q C 2.181 177.927 176.000 -0.422 0.000 0.999 1124 Q CA 2.167 57.623 55.803 -0.580 0.000 0.857 1124 Q CB -0.348 28.028 28.738 -0.603 0.000 0.926 1124 Q HN 0.329 nan 8.270 nan 0.000 0.415 1125 A N 0.291 122.971 122.820 -0.233 0.000 1.903 1125 A HA -0.236 4.084 4.320 0.000 0.000 0.219 1125 A C 2.046 179.566 177.584 -0.107 0.000 1.191 1125 A CA 1.950 53.897 52.037 -0.151 0.000 0.638 1125 A CB -0.844 18.108 19.000 -0.081 0.000 0.823 1125 A HN 0.478 nan 8.150 nan 0.000 0.451 1126 L N -1.439 119.748 121.223 -0.060 0.000 2.068 1126 L HA -0.073 4.267 4.340 0.000 0.000 0.204 1126 L C 2.614 179.484 176.870 0.001 0.000 1.076 1126 L CA 1.047 55.885 54.840 -0.003 0.000 0.753 1126 L CB -0.507 41.572 42.059 0.033 0.000 0.910 1126 L HN 0.277 nan 8.230 nan 0.000 0.439 1127 E N 0.511 120.713 120.200 0.005 0.000 2.171 1127 E HA -0.230 4.120 4.350 0.000 0.000 0.197 1127 E C 2.193 178.849 176.600 0.094 0.000 0.997 1127 E CA 1.377 57.832 56.400 0.090 0.000 0.810 1127 E CB -0.138 29.703 29.700 0.236 0.000 0.738 1127 E HN 0.511 nan 8.360 nan 0.000 0.467 1128 I N -0.264 120.307 120.570 0.001 0.000 2.202 1128 I HA -0.308 3.862 4.170 0.000 0.000 0.242 1128 I C 2.629 178.747 176.117 0.001 0.000 1.091 1128 I CA 0.613 61.921 61.300 0.014 0.000 1.368 1128 I CB -0.315 37.646 38.000 -0.064 0.000 1.058 1128 I HN 0.125 nan 8.210 nan 0.000 0.410 1129 C N 0.532 119.814 119.300 -0.030 0.000 2.398 1129 C HA -0.239 4.221 4.460 0.000 0.000 0.276 1129 C C 2.589 177.575 174.990 -0.007 0.000 1.222 1129 C CA 1.401 60.395 59.018 -0.040 0.000 1.746 1129 C CB -1.001 26.709 27.740 -0.050 0.000 2.039 1129 C HN 0.545 nan 8.230 nan 0.000 0.470 1130 D N 0.423 120.833 120.400 0.017 0.000 2.106 1130 D HA -0.123 4.517 4.640 0.000 0.000 0.191 1130 D C 2.181 178.497 176.300 0.026 0.000 0.997 1130 D CA 1.932 55.947 54.000 0.025 0.000 0.834 1130 D CB -0.247 40.577 40.800 0.041 0.000 0.956 1130 D HN 0.421 nan 8.370 nan 0.000 0.448 1131 A N -0.324 122.523 122.820 0.046 0.000 2.015 1131 A HA -0.046 4.274 4.320 0.000 0.000 0.219 1131 A C 2.358 179.959 177.584 0.028 0.000 1.163 1131 A CA 0.806 52.870 52.037 0.046 0.000 0.646 1131 A CB -0.569 18.477 19.000 0.077 0.000 0.806 1131 A HN 0.348 nan 8.150 nan 0.000 0.448 1132 L N -1.229 120.005 121.223 0.017 0.000 2.179 1132 L HA -0.070 4.270 4.340 0.000 0.000 0.208 1132 L C 3.021 179.888 176.870 -0.005 0.000 1.096 1132 L CA 0.768 55.610 54.840 0.003 0.000 0.779 1132 L CB -0.510 41.543 42.059 -0.010 0.000 0.922 1132 L HN 0.421 nan 8.230 nan 0.000 0.443 1133 A N 0.209 123.025 122.820 -0.007 0.000 1.841 1133 A HA -0.180 4.140 4.320 0.000 0.000 0.214 1133 A C 2.376 179.956 177.584 -0.006 0.000 1.195 1133 A CA 1.200 53.230 52.037 -0.011 0.000 0.611 1133 A CB -0.536 18.455 19.000 -0.014 0.000 0.835 1133 A HN 0.218 nan 8.150 nan 0.000 0.443 1134 R N 0.219 120.720 120.500 0.000 0.000 2.154 1134 R HA -0.175 4.165 4.340 0.000 0.000 0.248 1134 R C 2.557 178.861 176.300 0.006 0.000 1.155 1134 R CA 1.822 57.924 56.100 0.004 0.000 0.979 1134 R CB -0.398 29.909 30.300 0.011 0.000 0.869 1134 R HN 0.761 nan 8.270 nan 0.000 0.452 1135 S N -1.157 114.547 115.700 0.007 0.000 2.406 1135 S HA -0.035 4.435 4.470 0.000 0.000 0.228 1135 S C 1.615 176.218 174.600 0.005 0.000 1.020 1135 S CA 0.964 59.168 58.200 0.008 0.000 0.965 1135 S CB -0.011 63.195 63.200 0.009 0.000 0.798 1135 S HN 0.522 nan 8.310 nan 0.000 0.488 1136 G N 0.775 109.576 108.800 0.001 0.000 2.166 1136 G HA2 -0.234 3.726 3.960 0.000 0.000 0.260 1136 G HA3 -0.234 3.726 3.960 0.000 0.000 0.260 1136 G C 0.845 175.744 174.900 -0.001 0.000 0.986 1136 G CA 0.421 45.520 45.100 -0.000 0.000 0.683 1136 G HN 1.280 nan 8.290 nan 0.000 0.527 1137 A N -1.074 121.746 122.820 -0.000 0.000 1.984 1137 A HA 0.610 4.930 4.320 0.000 0.000 0.214 1137 A C 1.278 178.860 177.584 -0.003 0.000 1.173 1137 A CA 1.433 53.470 52.037 -0.000 0.000 0.673 1137 A CB 0.317 19.318 19.000 0.003 0.000 0.830 1137 A HN 1.023 nan 8.150 nan 0.000 0.453 1138 V N 1.122 121.032 119.914 -0.006 0.000 2.509 1138 V HA 0.176 4.296 4.120 0.000 0.000 0.284 1138 V C 0.404 176.490 176.094 -0.014 0.000 1.047 1138 V CA -0.345 61.949 62.300 -0.011 0.000 0.952 1138 V CB 1.420 33.233 31.823 -0.017 0.000 0.988 1138 V HN 0.370 nan 8.190 nan 0.000 0.469 1139 D N 1.763 122.154 120.400 -0.015 0.000 2.262 1139 D HA 0.078 4.718 4.640 0.000 0.000 0.212 1139 D C 0.234 176.520 176.300 -0.024 0.000 0.964 1139 D CA 1.112 55.102 54.000 -0.016 0.000 0.875 1139 D CB 1.218 42.010 40.800 -0.014 0.000 0.996 1139 D HN 0.345 nan 8.370 nan 0.000 0.497 1140 V N 1.457 121.353 119.914 -0.030 0.000 2.567 1140 V HA 0.372 4.492 4.120 0.000 0.000 0.298 1140 V C -1.342 174.713 176.094 -0.065 0.000 1.047 1140 V CA -0.683 61.590 62.300 -0.045 0.000 0.880 1140 V CB 1.404 33.204 31.823 -0.038 0.000 1.009 1140 V HN -0.127 nan 8.190 nan 0.000 0.429 1141 I N 6.617 127.125 120.570 -0.104 0.000 2.460 1141 I HA 0.649 4.819 4.170 0.000 0.000 0.298 1141 I C -0.355 175.609 176.117 -0.256 0.000 0.989 1141 I CA -0.881 60.323 61.300 -0.161 0.000 1.173 1141 I CB 1.889 39.785 38.000 -0.174 0.000 1.338 1141 I HN 0.457 nan 8.210 nan 0.000 0.456 1142 V N 6.884 126.593 119.914 -0.341 0.000 2.823 1142 V HA 0.577 4.697 4.120 0.000 0.000 0.312 1142 V C -0.905 174.781 176.094 -0.679 0.000 1.072 1142 V CA -0.476 61.529 62.300 -0.492 0.000 0.937 1142 V CB 2.412 33.961 31.823 -0.456 0.000 1.013 1142 V HN 0.430 nan 8.190 nan 0.000 0.430 1143 V N 5.085 124.602 119.914 -0.662 0.000 2.349 1143 V HA 0.394 4.514 4.120 0.000 0.000 0.284 1143 V C -0.478 175.385 176.094 -0.385 0.000 1.014 1143 V CA -0.613 61.354 62.300 -0.555 0.000 0.826 1143 V CB 1.470 32.940 31.823 -0.588 0.000 1.009 1143 V HN 0.906 nan 8.190 nan 0.000 0.431 1144 D N 3.601 123.762 120.400 -0.399 0.000 2.383 1144 D HA 0.293 4.933 4.640 0.000 0.000 0.245 1144 D C 0.122 176.381 176.300 -0.068 0.000 1.263 1144 D CA 0.880 54.785 54.000 -0.159 0.000 0.936 1144 D CB 0.308 41.141 40.800 0.055 0.000 1.053 1144 D HN 0.677 nan 8.370 nan 0.000 0.507 1145 S N 1.006 116.687 115.700 -0.032 0.000 3.600 1145 S HA -0.150 4.320 4.470 0.000 0.000 0.695 1145 S C 1.192 175.808 174.600 0.027 0.000 0.535 1145 S CA 0.316 58.504 58.200 -0.021 0.000 1.453 1145 S CB -1.247 61.887 63.200 -0.110 0.000 0.928 1145 S HN 0.500 nan 8.310 nan 0.000 1.029 1146 V N 1.750 121.717 119.914 0.088 0.000 2.490 1146 V HA -0.070 4.050 4.120 0.000 0.000 0.250 1146 V C 2.273 178.396 176.094 0.049 0.000 1.061 1146 V CA 2.372 64.734 62.300 0.104 0.000 1.064 1146 V CB -0.958 30.913 31.823 0.081 0.000 0.670 1146 V HN 1.493 nan 8.190 nan 0.000 0.461 1147 A N 0.027 122.860 122.820 0.022 0.000 2.186 1147 A HA 0.276 4.596 4.320 0.000 0.000 0.219 1147 A C 2.143 179.815 177.584 0.146 0.000 1.159 1147 A CA 1.775 53.839 52.037 0.044 0.000 0.680 1147 A CB -0.690 18.305 19.000 -0.008 0.000 0.787 1147 A HN 1.284 nan 8.150 nan 0.000 0.467 1148 A N -1.470 121.419 122.820 0.115 0.000 2.508 1148 A HA 0.515 4.835 4.320 0.000 0.000 0.257 1148 A C 0.238 177.895 177.584 0.122 0.000 1.226 1148 A CA -0.295 51.850 52.037 0.179 0.000 0.947 1148 A CB 0.061 19.134 19.000 0.122 0.000 1.079 1148 A HN 0.226 nan 8.150 nan 0.000 0.531 1149 L N 2.675 123.947 121.223 0.082 0.000 2.376 1149 L HA 0.170 4.510 4.340 0.000 0.000 0.250 1149 L C 0.141 177.038 176.870 0.046 0.000 1.335 1149 L CA 0.647 55.520 54.840 0.057 0.000 1.214 1149 L CB -0.872 41.219 42.059 0.054 0.000 1.395 1149 L HN 0.141 nan 8.230 nan 0.000 0.424 1150 T N 2.286 116.873 114.554 0.055 0.000 2.814 1150 T HA 0.246 4.596 4.350 0.000 0.000 0.297 1150 T C -2.218 172.485 174.700 0.004 0.000 0.956 1150 T CA -1.175 60.947 62.100 0.036 0.000 1.123 1150 T CB 0.474 69.369 68.868 0.045 0.000 0.902 1150 T HN 0.141 nan 8.240 nan 0.000 0.528 1151 P HA 0.152 nan 4.420 nan 0.000 0.269 1151 P C 0.974 178.235 177.300 -0.066 0.000 1.215 1151 P CA -0.539 62.535 63.100 -0.043 0.000 0.780 1151 P CB 0.788 32.451 31.700 -0.062 0.000 0.898 1152 K N 2.608 122.976 120.400 -0.053 0.000 2.000 1152 K HA -0.275 4.045 4.320 0.000 0.000 0.218 1152 K C 1.919 178.465 176.600 -0.091 0.000 1.053 1152 K CA 2.265 58.524 56.287 -0.046 0.000 0.946 1152 K CB -0.900 31.586 32.500 -0.023 0.000 0.723 1152 K HN 0.465 nan 8.250 nan 0.000 0.446 1153 A N 0.967 123.707 122.820 -0.133 0.000 1.958 1153 A HA -0.305 4.015 4.320 0.000 0.000 0.221 1153 A C 2.019 179.363 177.584 -0.400 0.000 1.178 1153 A CA 2.289 54.196 52.037 -0.216 0.000 0.642 1153 A CB -0.695 18.172 19.000 -0.222 0.000 0.816 1153 A HN 0.645 nan 8.150 nan 0.000 0.453 1154 E N -0.363 119.569 120.200 -0.447 0.000 2.072 1154 E HA -0.122 4.228 4.350 0.000 0.000 0.191 1154 E C 1.911 178.454 176.600 -0.095 0.000 0.985 1154 E CA 1.114 57.268 56.400 -0.409 0.000 0.801 1154 E CB -0.187 29.410 29.700 -0.172 0.000 0.750 1154 E HN 0.696 nan 8.360 nan 0.000 0.452 1155 I N 0.701 121.233 120.570 -0.063 0.000 2.142 1155 I HA -0.242 3.928 4.170 0.000 0.000 0.240 1155 I C 2.286 178.404 176.117 0.002 0.000 1.078 1155 I CA 1.361 62.655 61.300 -0.010 0.000 1.343 1155 I CB -0.475 37.523 38.000 -0.004 0.000 1.046 1155 I HN 0.175 nan 8.210 nan 0.000 0.405 1156 E N 0.873 121.065 120.200 -0.014 0.000 2.106 1156 E HA -0.055 4.295 4.350 0.000 0.000 0.192 1156 E C 1.357 177.973 176.600 0.026 0.000 0.984 1156 E CA 0.659 57.061 56.400 0.003 0.000 0.806 1156 E CB -0.194 29.503 29.700 -0.006 0.000 0.750 1156 E HN 0.510 nan 8.360 nan 0.000 0.458 1157 G N 0.793 109.614 108.800 0.034 0.000 2.684 1157 G HA2 0.026 3.986 3.960 0.000 0.000 0.255 1157 G HA3 0.026 3.986 3.960 0.000 0.000 0.255 1157 G C -0.329 174.653 174.900 0.136 0.000 1.219 1157 G CA -0.514 44.661 45.100 0.125 0.000 0.901 1157 G HN 0.063 nan 8.290 nan 0.000 0.548 1158 E N -1.177 119.106 120.200 0.140 0.000 2.369 1158 E HA 0.220 4.570 4.350 0.000 0.000 0.255 1158 E C -0.042 176.627 176.600 0.115 0.000 1.172 1158 E CA -0.285 56.183 56.400 0.113 0.000 0.932 1158 E CB 1.265 31.025 29.700 0.101 0.000 1.040 1158 E HN 0.293 nan 8.360 nan 0.000 0.454 1159 I N 1.272 121.894 120.570 0.087 0.000 2.436 1159 I HA 0.206 4.376 4.170 0.000 0.000 0.289 1159 I C 1.126 177.266 176.117 0.038 0.000 1.083 1159 I CA 0.491 61.826 61.300 0.059 0.000 1.372 1159 I CB 0.242 38.268 38.000 0.043 0.000 1.408 1159 I HN 0.847 nan 8.210 nan 0.000 0.516 1160 G N 3.835 112.640 108.800 0.007 0.000 2.229 1160 G HA2 -0.190 3.770 3.960 0.000 0.000 0.189 1160 G HA3 -0.190 3.770 3.960 0.000 0.000 0.189 1160 G C -0.092 174.768 174.900 -0.067 0.000 1.000 1160 G CA -0.683 44.404 45.100 -0.021 0.000 0.663 1160 G HN 0.534 nan 8.290 nan 0.000 0.493 1161 D N 1.969 122.309 120.400 -0.100 0.000 2.383 1161 D HA 0.454 5.094 4.640 0.000 0.000 0.252 1161 D C 0.980 176.962 176.300 -0.529 0.000 1.166 1161 D CA 0.742 54.581 54.000 -0.268 0.000 0.879 1161 D CB 1.314 41.983 40.800 -0.219 0.000 1.164 1161 D HN 0.447 nan 8.370 nan 0.000 0.462 1162 S N 3.166 118.628 115.700 -0.397 0.000 2.423 1162 S HA 0.096 4.566 4.470 0.000 0.000 0.302 1162 S C 0.048 174.410 174.600 -0.397 0.000 1.143 1162 S CA -0.637 57.380 58.200 -0.306 0.000 1.080 1162 S CB 0.043 63.161 63.200 -0.136 0.000 1.081 1162 S HN 0.314 nan 8.310 nan 0.000 0.522 1163 H N 3.732 122.804 119.070 0.004 0.000 2.432 1163 H HA 0.247 4.803 4.556 0.000 0.000 0.226 1163 H C -0.074 175.255 175.328 0.002 0.000 1.634 1163 H CA -0.685 55.365 56.048 0.003 0.000 1.253 1163 H CB -0.029 29.736 29.762 0.004 0.000 1.584 1163 H HN 0.496 nan 8.280 nan 0.000 0.545 1164 M N 0.899 120.532 119.600 0.056 0.000 2.307 1164 M HA 0.071 4.551 4.480 0.000 0.000 0.346 1164 M C 1.237 177.563 176.300 0.043 0.000 1.552 1164 M CA 0.401 55.722 55.300 0.035 0.000 1.116 1164 M CB -0.192 32.417 32.600 0.014 0.000 1.889 1164 M HN 0.857 nan 8.290 nan 0.000 0.460 1165 G N 4.026 112.849 108.800 0.038 0.000 2.341 1165 G HA2 -0.268 3.692 3.960 0.000 0.000 0.292 1165 G HA3 -0.268 3.692 3.960 0.000 0.000 0.292 1165 G C 0.860 175.777 174.900 0.030 0.000 1.021 1165 G CA 0.569 45.685 45.100 0.027 0.000 0.905 1165 G HN 0.761 nan 8.290 nan 0.000 0.508 1166 L N -0.759 120.493 121.223 0.049 0.000 2.109 1166 L HA 0.174 4.514 4.340 0.000 0.000 0.207 1166 L C 3.098 179.976 176.870 0.013 0.000 1.086 1166 L CA 1.893 56.755 54.840 0.035 0.000 0.760 1166 L CB -0.406 41.683 42.059 0.050 0.000 0.910 1166 L HN 0.457 nan 8.230 nan 0.000 0.437 1167 A N 0.021 122.852 122.820 0.017 0.000 1.873 1167 A HA -0.312 4.008 4.320 0.000 0.000 0.218 1167 A C 2.434 180.011 177.584 -0.011 0.000 1.193 1167 A CA 2.177 54.217 52.037 0.003 0.000 0.629 1167 A CB -1.034 17.971 19.000 0.010 0.000 0.826 1167 A HN 0.531 nan 8.150 nan 0.000 0.447 1168 A N 0.467 123.282 122.820 -0.009 0.000 1.858 1168 A HA -0.191 4.129 4.320 0.000 0.000 0.216 1168 A C 2.244 179.811 177.584 -0.028 0.000 1.190 1168 A CA 2.022 54.046 52.037 -0.021 0.000 0.617 1168 A CB -0.616 18.379 19.000 -0.009 0.000 0.827 1168 A HN 0.724 nan 8.150 nan 0.000 0.443 1169 R N -0.583 119.908 120.500 -0.014 0.000 2.193 1169 R HA -0.036 4.304 4.340 0.000 0.000 0.229 1169 R C 1.987 178.276 176.300 -0.019 0.000 1.110 1169 R CA 1.620 57.711 56.100 -0.014 0.000 0.988 1169 R CB -0.481 29.818 30.300 -0.002 0.000 0.871 1169 R HN 0.566 nan 8.270 nan 0.000 0.458 1170 M N 0.158 119.745 119.600 -0.021 0.000 2.123 1170 M HA -0.074 4.406 4.480 0.000 0.000 0.263 1170 M C 1.924 178.195 176.300 -0.049 0.000 1.069 1170 M CA 1.343 56.630 55.300 -0.022 0.000 1.133 1170 M CB 0.037 32.628 32.600 -0.015 0.000 1.356 1170 M HN 0.226 nan 8.290 nan 0.000 0.415 1171 M N -0.450 119.107 119.600 -0.071 0.000 2.080 1171 M HA -0.193 4.287 4.480 0.000 0.000 0.260 1171 M C 2.418 178.614 176.300 -0.172 0.000 1.068 1171 M CA 1.741 56.963 55.300 -0.130 0.000 1.109 1171 M CB -1.370 31.143 32.600 -0.145 0.000 1.342 1171 M HN 0.361 nan 8.290 nan 0.000 0.405 1172 S N -0.387 115.235 115.700 -0.131 0.000 2.419 1172 S HA -0.174 4.296 4.470 0.000 0.000 0.233 1172 S C 1.846 176.359 174.600 -0.145 0.000 1.016 1172 S CA 1.229 59.340 58.200 -0.149 0.000 0.974 1172 S CB -0.119 63.036 63.200 -0.074 0.000 0.786 1172 S HN 0.517 nan 8.310 nan 0.000 0.492 1173 Q N -0.247 119.500 119.800 -0.089 0.000 2.137 1173 Q HA 0.053 4.393 4.340 0.000 0.000 0.198 1173 Q C 2.198 178.152 176.000 -0.078 0.000 0.960 1173 Q CA 1.012 56.784 55.803 -0.051 0.000 0.847 1173 Q CB -0.288 28.454 28.738 0.006 0.000 0.915 1173 Q HN 0.657 nan 8.270 nan 0.000 0.448 1174 A N 0.910 123.670 122.820 -0.100 0.000 1.855 1174 A HA -0.177 4.144 4.320 0.000 0.000 0.215 1174 A C 2.035 179.524 177.584 -0.159 0.000 1.191 1174 A CA 1.312 53.298 52.037 -0.086 0.000 0.613 1174 A CB -0.445 18.523 19.000 -0.054 0.000 0.829 1174 A HN 0.330 nan 8.150 nan 0.000 0.442 1175 M N -0.662 118.731 119.600 -0.345 0.000 2.082 1175 M HA -0.192 4.288 4.480 0.000 0.000 0.258 1175 M C 2.159 178.160 176.300 -0.499 0.000 1.071 1175 M CA 1.935 56.842 55.300 -0.655 0.000 1.103 1175 M CB -1.472 30.271 32.600 -1.428 0.000 1.307 1175 M HN 0.502 nan 8.290 nan 0.000 0.409 1176 R N 0.287 120.549 120.500 -0.397 0.000 2.159 1176 R HA -0.248 4.092 4.340 0.000 0.000 0.249 1176 R C 2.249 178.573 176.300 0.040 0.000 1.136 1176 R CA 2.378 58.471 56.100 -0.011 0.000 0.951 1176 R CB -0.151 30.147 30.300 -0.003 0.000 0.876 1176 R HN 0.413 nan 8.270 nan 0.000 0.440 1177 K N -0.135 120.252 120.400 -0.021 0.000 2.031 1177 K HA -0.088 4.232 4.320 0.000 0.000 0.205 1177 K C 2.214 178.814 176.600 0.001 0.000 1.049 1177 K CA 1.267 57.552 56.287 -0.004 0.000 0.939 1177 K CB -0.123 32.371 32.500 -0.011 0.000 0.717 1177 K HN 0.173 nan 8.250 nan 0.000 0.438 1178 L N 0.654 121.875 121.223 -0.003 0.000 2.027 1178 L HA -0.166 4.174 4.340 0.000 0.000 0.206 1178 L C 2.589 179.461 176.870 0.004 0.000 1.074 1178 L CA 1.065 55.912 54.840 0.011 0.000 0.745 1178 L CB -0.561 41.525 42.059 0.045 0.000 0.898 1178 L HN 0.214 nan 8.230 nan 0.000 0.433 1179 A N 0.337 123.193 122.820 0.061 0.000 1.917 1179 A HA -0.214 4.106 4.320 0.000 0.000 0.219 1179 A C 2.366 179.783 177.584 -0.278 0.000 1.182 1179 A CA 2.053 54.123 52.037 0.054 0.000 0.633 1179 A CB -1.398 17.774 19.000 0.287 0.000 0.819 1179 A HN 0.475 nan 8.150 nan 0.000 0.448 1180 G N -0.262 108.310 108.800 -0.380 0.000 2.453 1180 G HA2 -0.295 3.665 3.960 0.000 0.000 0.215 1180 G HA3 -0.295 3.665 3.960 0.000 0.000 0.215 1180 G C 1.386 176.066 174.900 -0.366 0.000 1.201 1180 G CA 1.050 45.725 45.100 -0.709 0.000 0.784 1180 G HN 0.728 nan 8.290 nan 0.000 0.545 1181 N N 0.004 118.609 118.700 -0.159 0.000 2.443 1181 N HA 0.029 4.769 4.740 0.000 0.000 0.184 1181 N C 2.106 177.572 175.510 -0.073 0.000 1.037 1181 N CA 0.129 53.130 53.050 -0.081 0.000 0.896 1181 N CB -0.054 38.411 38.487 -0.037 0.000 0.959 1181 N HN 0.270 nan 8.380 nan 0.000 0.442 1182 L N 0.424 121.591 121.223 -0.093 0.000 2.102 1182 L HA -0.057 4.283 4.340 0.000 0.000 0.202 1182 L C 2.412 179.253 176.870 -0.047 0.000 1.076 1182 L CA 0.835 55.645 54.840 -0.050 0.000 0.761 1182 L CB -0.166 41.883 42.059 -0.016 0.000 0.921 1182 L HN 0.003 nan 8.230 nan 0.000 0.444 1183 K N 0.645 120.991 120.400 -0.089 0.000 2.057 1183 K HA -0.168 4.152 4.320 0.000 0.000 0.206 1183 K C 1.955 178.564 176.600 0.015 0.000 1.050 1183 K CA 1.539 57.822 56.287 -0.005 0.000 0.935 1183 K CB -0.138 32.422 32.500 0.100 0.000 0.715 1183 K HN 0.187 nan 8.250 nan 0.000 0.439 1184 Q N -0.542 119.252 119.800 -0.010 0.000 2.482 1184 Q HA 0.092 4.432 4.340 0.000 0.000 0.209 1184 Q C 0.493 176.498 176.000 0.007 0.000 0.961 1184 Q CA 0.739 56.552 55.803 0.018 0.000 0.945 1184 Q CB 0.375 29.129 28.738 0.026 0.000 1.012 1184 Q HN 0.173 nan 8.270 nan 0.000 0.515 1185 S N -0.288 115.409 115.700 -0.005 0.000 2.603 1185 S HA 0.068 4.538 4.470 0.000 0.000 0.232 1185 S C 0.204 174.803 174.600 -0.001 0.000 1.016 1185 S CA -0.320 57.878 58.200 -0.003 0.000 0.976 1185 S CB 0.361 63.556 63.200 -0.009 0.000 0.921 1185 S HN 0.421 nan 8.310 nan 0.000 0.516 1186 N N 2.359 121.061 118.700 0.003 0.000 2.701 1186 N HA -0.145 4.595 4.740 0.000 0.000 0.250 1186 N C -1.041 174.468 175.510 -0.001 0.000 1.046 1186 N CA 0.914 53.967 53.050 0.006 0.000 0.733 1186 N CB -1.248 37.244 38.487 0.008 0.000 0.973 1186 N HN 0.268 nan 8.380 nan 0.000 0.541 1187 T N 0.899 115.449 114.554 -0.006 0.000 2.728 1187 T HA 0.360 4.710 4.350 0.000 0.000 0.296 1187 T C 0.230 174.922 174.700 -0.013 0.000 0.940 1187 T CA -0.634 61.458 62.100 -0.014 0.000 1.013 1187 T CB 1.023 69.879 68.868 -0.020 0.000 0.912 1187 T HN 0.276 nan 8.240 nan 0.000 0.484 1188 L N 5.247 126.459 121.223 -0.018 0.000 2.319 1188 L HA 0.521 4.861 4.340 0.000 0.000 0.280 1188 L C -0.801 176.043 176.870 -0.043 0.000 1.099 1188 L CA -0.174 54.656 54.840 -0.018 0.000 0.828 1188 L CB 0.234 42.282 42.059 -0.018 0.000 1.150 1188 L HN 0.608 nan 8.230 nan 0.000 0.442 1189 L N 6.674 127.879 121.223 -0.030 0.000 2.305 1189 L HA 0.536 4.876 4.340 0.000 0.000 0.284 1189 L C -0.792 176.029 176.870 -0.081 0.000 1.013 1189 L CA -0.424 54.361 54.840 -0.092 0.000 0.819 1189 L CB 1.223 43.254 42.059 -0.046 0.000 1.227 1189 L HN 0.672 nan 8.230 nan 0.000 0.417 1190 I N 4.169 124.622 120.570 -0.195 0.000 2.377 1190 I HA 0.316 4.486 4.170 0.000 0.000 0.293 1190 I C -0.898 175.041 176.117 -0.297 0.000 0.987 1190 I CA -0.324 60.893 61.300 -0.138 0.000 1.185 1190 I CB 1.504 39.434 38.000 -0.115 0.000 1.341 1190 I HN 0.378 nan 8.210 nan 0.000 0.455 1191 F N 6.253 126.166 119.950 -0.062 0.000 2.427 1191 F HA 0.515 5.042 4.527 0.000 0.000 0.346 1191 F C 0.248 176.023 175.800 -0.042 0.000 1.120 1191 F CA -0.488 57.475 58.000 -0.063 0.000 1.033 1191 F CB 1.288 40.268 39.000 -0.034 0.000 1.126 1191 F HN 0.184 nan 8.300 nan 0.000 0.462 1192 I N 3.223 123.845 120.570 0.087 0.000 2.440 1192 I HA 0.293 4.463 4.170 0.000 0.000 0.294 1192 I C -0.254 175.935 176.117 0.119 0.000 0.995 1192 I CA -0.217 61.135 61.300 0.087 0.000 1.306 1192 I CB 1.365 39.386 38.000 0.036 0.000 1.407 1192 I HN 0.655 nan 8.210 nan 0.000 0.501 1193 N N 3.426 122.202 118.700 0.126 0.000 2.416 1193 N HA 0.386 5.126 4.740 0.000 0.000 0.276 1193 N C -1.487 174.040 175.510 0.028 0.000 1.261 1193 N CA -0.713 52.380 53.050 0.072 0.000 0.790 1193 N CB 1.945 40.484 38.487 0.086 0.000 1.554 1193 N HN 0.555 nan 8.380 nan 0.000 0.481 1194 Q N 0.781 120.485 119.800 -0.160 0.000 2.195 1194 Q HA 0.515 4.855 4.340 0.000 0.000 0.250 1194 Q C -0.567 175.234 176.000 -0.333 0.000 0.988 1194 Q CA -0.704 54.818 55.803 -0.469 0.000 0.911 1194 Q CB 2.070 30.155 28.738 -1.089 0.000 1.258 1194 Q HN 0.464 nan 8.270 nan 0.000 0.475 1195 I N 1.538 121.922 120.570 -0.310 0.000 2.396 1195 I HA 0.379 4.549 4.170 0.000 0.000 0.292 1195 I C -0.059 175.983 176.117 -0.125 0.000 0.999 1195 I CA -0.585 60.651 61.300 -0.106 0.000 1.310 1195 I CB 0.634 38.707 38.000 0.123 0.000 1.404 1195 I HN 0.341 nan 8.210 nan 0.000 0.496 1196 R N 5.201 125.638 120.500 -0.106 0.000 2.771 1196 R HA 0.627 4.968 4.340 0.000 0.000 0.274 1196 R C -1.278 174.994 176.300 -0.047 0.000 0.987 1196 R CA -1.251 54.812 56.100 -0.062 0.000 0.908 1196 R CB 2.101 32.357 30.300 -0.074 0.000 1.213 1196 R HN 0.457 nan 8.270 nan 0.000 0.468 1197 M N 2.043 121.628 119.600 -0.023 0.000 2.300 1197 M HA 0.313 4.793 4.480 0.000 0.000 0.348 1197 M C 0.111 176.400 176.300 -0.018 0.000 1.151 1197 M CA -0.289 54.996 55.300 -0.024 0.000 1.046 1197 M CB 1.311 33.903 32.600 -0.014 0.000 1.647 1197 M HN 0.216 nan 8.290 nan 0.000 0.451 1198 K N 4.302 124.693 120.400 -0.015 0.000 2.248 1198 K HA 0.458 4.779 4.320 0.000 0.000 0.281 1198 K C -0.440 176.165 176.600 0.008 0.000 1.054 1198 K CA -0.489 55.800 56.287 0.003 0.000 0.903 1198 K CB 0.216 32.729 32.500 0.021 0.000 1.077 1198 K HN 0.815 nan 8.250 nan 0.000 0.474 1199 I N -0.804 119.772 120.570 0.010 0.000 2.938 1199 I HA 0.274 4.444 4.170 0.000 0.000 0.285 1199 I C 1.005 177.133 176.117 0.019 0.000 1.182 1199 I CA 0.576 61.883 61.300 0.011 0.000 1.388 1199 I CB 0.409 38.415 38.000 0.011 0.000 1.390 1199 I HN 0.917 nan 8.210 nan 0.000 0.600 1200 G N 3.107 111.917 108.800 0.018 0.000 2.175 1200 G HA2 -0.230 3.730 3.960 0.000 0.000 0.265 1200 G HA3 -0.230 3.730 3.960 0.000 0.000 0.265 1200 G C 0.108 175.031 174.900 0.039 0.000 0.979 1200 G CA 0.281 45.395 45.100 0.024 0.000 0.663 1200 G HN 0.799 nan 8.290 nan 0.000 0.533 1201 V N 2.344 122.285 119.914 0.045 0.000 2.439 1201 V HA 0.651 4.771 4.120 0.000 0.000 0.282 1201 V C 1.288 177.417 176.094 0.057 0.000 1.039 1201 V CA 0.109 62.462 62.300 0.087 0.000 0.913 1201 V CB 1.463 33.377 31.823 0.151 0.000 0.983 1201 V HN 0.444 nan 8.190 nan 0.000 0.460 1202 M N 6.614 126.276 119.600 0.104 0.000 2.337 1202 M HA 0.268 4.748 4.480 0.000 0.000 0.256 1202 M C 0.120 176.484 176.300 0.107 0.000 1.075 1202 M CA 0.290 55.634 55.300 0.074 0.000 1.024 1202 M CB -0.144 32.498 32.600 0.069 0.000 1.429 1202 M HN 0.473 nan 8.290 nan 0.000 0.497 1203 F N 1.122 121.072 119.950 -0.000 0.000 2.362 1203 F HA 0.705 5.232 4.527 0.000 0.000 0.311 1203 F C 1.396 177.197 175.800 0.001 0.000 1.161 1203 F CA 0.162 58.163 58.000 0.001 0.000 1.085 1203 F CB -0.164 38.837 39.000 0.001 0.000 1.311 1203 F HN 0.283 nan 8.300 nan 0.000 0.524 1204 G N 1.969 110.526 108.800 -0.405 0.000 2.808 1204 G HA2 -0.382 3.578 3.960 0.000 0.000 0.470 1204 G HA3 -0.382 3.578 3.960 0.000 0.000 0.470 1204 G C -0.376 174.208 174.900 -0.527 0.000 1.041 1204 G CA 1.202 45.970 45.100 -0.554 0.000 0.839 1204 G HN 1.399 nan 8.290 nan 0.000 0.825 1205 N N 1.048 119.377 118.700 -0.619 0.000 2.295 1205 N HA 0.508 5.248 4.740 0.000 0.000 0.293 1205 N C -2.747 172.562 175.510 -0.335 0.000 1.040 1205 N CA -2.155 50.677 53.050 -0.363 0.000 0.840 1205 N CB 1.980 40.346 38.487 -0.200 0.000 1.468 1205 N HN 0.166 nan 8.380 nan 0.000 0.478 1206 P HA 0.116 nan 4.420 nan 0.000 0.256 1206 P C -0.549 176.693 177.300 -0.097 0.000 1.335 1206 P CA 0.343 63.363 63.100 -0.134 0.000 0.808 1206 P CB 0.126 31.773 31.700 -0.089 0.000 1.305 1207 E N 0.167 120.298 120.200 -0.115 0.000 2.313 1207 E HA 0.316 4.666 4.350 0.000 0.000 0.276 1207 E C -0.077 176.439 176.600 -0.141 0.000 1.031 1207 E CA 0.341 56.674 56.400 -0.111 0.000 0.857 1207 E CB 0.892 30.529 29.700 -0.106 0.000 1.040 1207 E HN 0.079 nan 8.360 nan 0.000 0.408 1208 T N 0.722 115.176 114.554 -0.166 0.000 2.787 1208 T HA 0.308 4.658 4.350 0.000 0.000 0.297 1208 T C -0.315 174.230 174.700 -0.259 0.000 1.221 1208 T CA -0.676 61.312 62.100 -0.187 0.000 1.006 1208 T CB 1.909 70.720 68.868 -0.095 0.000 1.328 1208 T HN 0.317 nan 8.240 nan 0.000 0.509 1209 T N 0.925 115.337 114.554 -0.235 0.000 2.952 1209 T HA 0.636 4.986 4.350 0.000 0.000 0.286 1209 T C -0.157 174.472 174.700 -0.118 0.000 1.024 1209 T CA -0.333 61.644 62.100 -0.206 0.000 1.029 1209 T CB 0.946 69.704 68.868 -0.184 0.000 1.094 1209 T HN 0.641 nan 8.240 nan 0.000 0.515 1210 T N 0.851 115.346 114.554 -0.099 0.000 2.847 1210 T HA 0.533 4.883 4.350 0.000 0.000 0.279 1210 T C 1.067 175.733 174.700 -0.056 0.000 0.984 1210 T CA 0.319 62.378 62.100 -0.068 0.000 0.988 1210 T CB 0.669 69.502 68.868 -0.059 0.000 1.040 1210 T HN 1.157 nan 8.240 nan 0.000 0.528 1211 G N 0.342 109.116 108.800 -0.043 0.000 2.198 1211 G HA2 0.181 4.141 3.960 0.000 0.000 0.257 1211 G HA3 0.181 4.141 3.960 0.000 0.000 0.257 1211 G C 0.669 175.540 174.900 -0.048 0.000 1.042 1211 G CA 0.154 45.224 45.100 -0.051 0.000 0.791 1211 G HN 1.649 nan 8.290 nan 0.000 0.502 1212 G N -0.744 108.041 108.800 -0.025 0.000 2.914 1212 G HA2 -0.308 3.652 3.960 0.000 0.000 0.254 1212 G HA3 -0.308 3.652 3.960 0.000 0.000 0.254 1212 G C 0.858 175.774 174.900 0.027 0.000 1.449 1212 G CA 0.450 45.550 45.100 0.000 0.000 0.925 1212 G HN 0.875 nan 8.290 nan 0.000 0.555 1213 N N 0.453 119.202 118.700 0.081 0.000 2.289 1213 N HA -0.101 4.639 4.740 0.000 0.000 0.184 1213 N C 2.786 178.457 175.510 0.268 0.000 1.016 1213 N CA 1.297 54.461 53.050 0.190 0.000 0.872 1213 N CB -0.206 38.459 38.487 0.296 0.000 0.973 1213 N HN 0.856 nan 8.380 nan 0.000 0.433 1214 A N 2.129 125.031 122.820 0.136 0.000 1.893 1214 A HA -0.258 4.062 4.320 0.000 0.000 0.222 1214 A C 2.099 179.778 177.584 0.158 0.000 1.309 1214 A CA 1.590 53.684 52.037 0.096 0.000 0.681 1214 A CB -1.168 17.793 19.000 -0.065 0.000 0.842 1214 A HN 0.260 nan 8.150 nan 0.000 0.468 1215 L N -0.065 121.160 121.223 0.003 0.000 1.963 1215 L HA -0.246 4.094 4.340 0.000 0.000 0.220 1215 L C 2.359 179.309 176.870 0.132 0.000 1.076 1215 L CA 2.715 57.528 54.840 -0.045 0.000 0.772 1215 L CB -1.059 40.902 42.059 -0.164 0.000 0.892 1215 L HN 0.535 nan 8.230 nan 0.000 0.435 1216 K N -1.389 119.086 120.400 0.124 0.000 2.117 1216 K HA -0.286 4.034 4.320 0.000 0.000 0.215 1216 K C 1.998 178.622 176.600 0.040 0.000 1.053 1216 K CA 2.356 58.675 56.287 0.053 0.000 0.935 1216 K CB -0.585 31.891 32.500 -0.039 0.000 0.719 1216 K HN 0.260 nan 8.250 nan 0.000 0.460 1217 F N -0.790 119.228 119.950 0.113 0.000 2.128 1217 F HA -0.092 4.435 4.527 0.000 0.000 0.295 1217 F C 2.252 178.092 175.800 0.066 0.000 1.100 1217 F CA 1.077 59.127 58.000 0.084 0.000 1.260 1217 F CB -0.664 38.384 39.000 0.081 0.000 1.009 1217 F HN -0.003 nan 8.300 nan 0.000 0.476 1218 Y N 0.348 120.779 120.300 0.218 0.000 2.293 1218 Y HA 0.056 4.606 4.550 0.000 0.000 0.291 1218 Y C 1.769 177.722 175.900 0.089 0.000 1.137 1218 Y CA 0.093 58.271 58.100 0.130 0.000 1.202 1218 Y CB -0.790 37.718 38.460 0.080 0.000 0.990 1218 Y HN -0.076 nan 8.280 nan 0.000 0.537 1219 A N -0.006 122.944 122.820 0.216 0.000 2.567 1219 A HA 0.027 4.347 4.320 0.000 0.000 0.240 1219 A C 1.231 178.855 177.584 0.067 0.000 1.053 1219 A CA 0.728 52.838 52.037 0.122 0.000 0.755 1219 A CB 0.037 19.084 19.000 0.077 0.000 0.978 1219 A HN 0.377 nan 8.150 nan 0.000 0.507 1220 S N 0.592 116.321 115.700 0.049 0.000 2.503 1220 S HA 0.226 4.696 4.470 0.000 0.000 0.217 1220 S C 0.276 174.855 174.600 -0.035 0.000 0.999 1220 S CA 0.330 58.534 58.200 0.006 0.000 0.914 1220 S CB 0.179 63.388 63.200 0.015 0.000 0.782 1220 S HN 0.558 nan 8.310 nan 0.000 0.520 1221 V N 2.349 122.246 119.914 -0.029 0.000 2.733 1221 V HA 0.456 4.577 4.120 0.000 0.000 0.306 1221 V C -0.877 175.177 176.094 -0.068 0.000 1.084 1221 V CA -0.804 61.455 62.300 -0.068 0.000 0.905 1221 V CB 2.166 33.948 31.823 -0.068 0.000 1.010 1221 V HN 0.131 nan 8.190 nan 0.000 0.424 1222 R N 4.181 124.609 120.500 -0.120 0.000 2.480 1222 R HA 0.657 4.997 4.340 0.000 0.000 0.306 1222 R C -1.835 174.303 176.300 -0.270 0.000 0.958 1222 R CA -0.905 55.108 56.100 -0.146 0.000 0.861 1222 R CB 2.215 32.468 30.300 -0.078 0.000 1.171 1222 R HN 0.332 nan 8.270 nan 0.000 0.445 1223 L N 2.769 123.771 121.223 -0.368 0.000 2.343 1223 L HA 0.242 4.582 4.340 0.000 0.000 0.278 1223 L C -0.276 176.214 176.870 -0.633 0.000 0.996 1223 L CA -0.496 54.119 54.840 -0.376 0.000 0.831 1223 L CB 1.477 43.416 42.059 -0.201 0.000 1.232 1223 L HN 0.492 nan 8.230 nan 0.000 0.413 1224 D N 4.908 125.001 120.400 -0.512 0.000 2.456 1224 D HA 0.159 4.799 4.640 0.000 0.000 0.219 1224 D C -0.185 176.036 176.300 -0.132 0.000 1.126 1224 D CA -0.184 53.580 54.000 -0.394 0.000 0.890 1224 D CB 0.639 41.355 40.800 -0.140 0.000 1.025 1224 D HN 0.474 nan 8.370 nan 0.000 0.511 1225 I N 3.050 123.573 120.570 -0.079 0.000 2.532 1225 I HA 0.406 4.576 4.170 0.000 0.000 0.292 1225 I C -0.479 175.657 176.117 0.033 0.000 1.014 1225 I CA -0.475 60.826 61.300 0.002 0.000 1.340 1225 I CB 0.536 38.562 38.000 0.043 0.000 1.422 1225 I HN 0.248 nan 8.210 nan 0.000 0.528 1226 R N 4.935 125.438 120.500 0.005 0.000 2.680 1226 R HA 0.389 4.729 4.340 0.000 0.000 0.269 1226 R C -1.226 175.061 176.300 -0.022 0.000 1.026 1226 R CA -0.942 55.165 56.100 0.010 0.000 0.889 1226 R CB 1.817 32.121 30.300 0.008 0.000 1.241 1226 R HN 0.569 nan 8.270 nan 0.000 0.463 1227 R N 3.007 123.512 120.500 0.008 0.000 2.221 1227 R HA 0.230 4.570 4.340 0.000 0.000 0.327 1227 R C 0.741 177.041 176.300 -0.000 0.000 1.033 1227 R CA 0.033 56.136 56.100 0.005 0.000 0.887 1227 R CB 0.503 30.842 30.300 0.065 0.000 1.057 1227 R HN 0.677 nan 8.270 nan 0.000 0.455 1228 I N 0.424 120.975 120.570 -0.033 0.000 3.939 1228 I HA 0.451 4.621 4.170 0.000 0.000 0.313 1228 I C 0.770 176.881 176.117 -0.011 0.000 1.274 1228 I CA -0.178 61.110 61.300 -0.020 0.000 1.301 1228 I CB 0.780 38.756 38.000 -0.040 0.000 1.105 1228 I HN 0.586 nan 8.210 nan 0.000 0.427 1229 G N 0.782 109.562 108.800 -0.034 0.000 2.554 1229 G HA2 0.727 4.687 3.960 0.000 0.000 0.306 1229 G HA3 0.727 4.687 3.960 0.000 0.000 0.306 1229 G C -1.916 172.932 174.900 -0.085 0.000 1.320 1229 G CA -0.218 44.854 45.100 -0.046 0.000 0.800 1229 G HN 0.279 nan 8.290 nan 0.000 0.481 1230 A N -0.984 121.771 122.820 -0.108 0.000 2.306 1230 A HA 0.774 5.094 4.320 0.000 0.000 0.330 1230 A C -0.647 176.863 177.584 -0.123 0.000 1.146 1230 A CA -0.554 51.389 52.037 -0.156 0.000 0.827 1230 A CB 1.652 20.535 19.000 -0.196 0.000 1.178 1230 A HN 1.326 nan 8.150 nan 0.000 0.490 1231 V N 2.663 122.492 119.914 -0.140 0.000 2.357 1231 V HA 0.344 4.464 4.120 0.000 0.000 0.284 1231 V C -0.141 175.892 176.094 -0.101 0.000 1.018 1231 V CA -0.534 61.696 62.300 -0.116 0.000 0.841 1231 V CB 0.982 32.725 31.823 -0.134 0.000 0.991 1231 V HN 0.828 nan 8.190 nan 0.000 0.437 1232 K N 3.356 123.713 120.400 -0.072 0.000 2.244 1232 K HA 0.448 4.768 4.320 0.000 0.000 0.260 1232 K C -0.144 176.434 176.600 -0.036 0.000 0.951 1232 K CA -0.637 55.618 56.287 -0.053 0.000 0.826 1232 K CB 2.246 34.717 32.500 -0.048 0.000 1.108 1232 K HN 0.514 nan 8.250 nan 0.000 0.433 1233 E N 2.094 122.281 120.200 -0.023 0.000 2.351 1233 E HA 0.061 4.411 4.350 0.000 0.000 0.236 1233 E C 0.943 177.538 176.600 -0.009 0.000 1.341 1233 E CA 0.016 56.407 56.400 -0.014 0.000 1.579 1233 E CB 0.188 29.886 29.700 -0.003 0.000 1.393 1233 E HN 1.052 nan 8.360 nan 0.000 0.438 1234 G N 1.978 110.770 108.800 -0.013 0.000 5.356 1234 G HA2 -0.391 3.569 3.960 0.000 0.000 0.309 1234 G HA3 -0.391 3.569 3.960 0.000 0.000 0.309 1234 G C 1.095 175.992 174.900 -0.005 0.000 1.451 1234 G CA 0.373 45.467 45.100 -0.009 0.000 0.978 1234 G HN 0.378 nan 8.290 nan 0.000 0.771 1235 E N 1.585 121.786 120.200 0.002 0.000 2.045 1235 E HA 0.051 4.401 4.350 0.000 0.000 0.190 1235 E C 1.133 177.742 176.600 0.015 0.000 0.968 1235 E CA 0.361 56.766 56.400 0.009 0.000 0.813 1235 E CB -0.392 29.317 29.700 0.014 0.000 0.780 1235 E HN 0.674 nan 8.360 nan 0.000 0.455 1236 N N 1.147 119.859 118.700 0.021 0.000 2.492 1236 N HA 0.080 4.820 4.740 0.000 0.000 0.262 1236 N C -0.734 174.793 175.510 0.029 0.000 1.202 1236 N CA -0.240 52.833 53.050 0.037 0.000 0.926 1236 N CB 1.341 39.854 38.487 0.043 0.000 1.078 1236 N HN -0.157 nan 8.380 nan 0.000 0.454 1237 V N 2.958 122.905 119.914 0.055 0.000 2.385 1237 V HA 0.071 4.191 4.120 0.000 0.000 0.269 1237 V C 0.680 176.857 176.094 0.138 0.000 1.043 1237 V CA -0.070 62.251 62.300 0.036 0.000 0.906 1237 V CB 1.288 33.096 31.823 -0.026 0.000 0.995 1237 V HN 0.551 nan 8.190 nan 0.000 0.467 1238 V N 4.122 124.063 119.914 0.045 0.000 3.562 1238 V HA 0.597 4.717 4.120 0.000 0.000 0.270 1238 V C 0.736 176.578 176.094 -0.421 0.000 1.418 1238 V CA 0.977 63.281 62.300 0.007 0.000 1.033 1238 V CB 0.682 32.494 31.823 -0.019 0.000 0.820 1238 V HN 0.864 nan 8.190 nan 0.000 0.441 1239 G N -0.662 107.849 108.800 -0.482 0.000 2.719 1239 G HA2 0.473 4.434 3.960 0.000 0.000 0.298 1239 G HA3 0.473 4.434 3.960 0.000 0.000 0.298 1239 G C -1.100 173.554 174.900 -0.409 0.000 1.411 1239 G CA -0.264 44.395 45.100 -0.736 0.000 0.991 1239 G HN -0.013 nan 8.290 nan 0.000 0.509 1240 S N 0.755 116.262 115.700 -0.322 0.000 2.409 1240 S HA 0.232 4.702 4.470 0.000 0.000 0.308 1240 S C 0.244 174.775 174.600 -0.114 0.000 1.080 1240 S CA -0.301 57.888 58.200 -0.018 0.000 1.081 1240 S CB 0.854 64.171 63.200 0.195 0.000 1.009 1240 S HN 0.624 nan 8.310 nan 0.000 0.502 1241 E N 2.880 123.007 120.200 -0.123 0.000 2.493 1241 E HA 0.082 4.432 4.350 0.000 0.000 0.255 1241 E C -0.418 176.068 176.600 -0.191 0.000 0.999 1241 E CA 0.632 56.943 56.400 -0.148 0.000 0.934 1241 E CB 0.322 29.959 29.700 -0.106 0.000 0.940 1241 E HN 0.380 nan 8.360 nan 0.000 0.473 1242 T N 5.668 120.007 114.554 -0.358 0.000 2.876 1242 T HA 0.460 4.810 4.350 0.000 0.000 0.289 1242 T C -0.709 173.677 174.700 -0.524 0.000 1.014 1242 T CA -0.789 61.026 62.100 -0.474 0.000 0.986 1242 T CB 1.270 69.732 68.868 -0.677 0.000 1.021 1242 T HN 0.360 nan 8.240 nan 0.000 0.458 1243 R N 2.186 122.518 120.500 -0.281 0.000 2.534 1243 R HA 0.713 5.053 4.340 0.000 0.000 0.301 1243 R C -1.934 174.329 176.300 -0.063 0.000 0.961 1243 R CA -0.559 55.454 56.100 -0.145 0.000 0.871 1243 R CB 1.359 31.616 30.300 -0.072 0.000 1.170 1243 R HN 0.467 nan 8.270 nan 0.000 0.446 1244 V N 4.958 124.887 119.914 0.025 0.000 2.443 1244 V HA 0.358 4.478 4.120 0.000 0.000 0.293 1244 V C -0.300 175.800 176.094 0.011 0.000 1.021 1244 V CA -0.885 61.441 62.300 0.042 0.000 0.848 1244 V CB 1.729 33.635 31.823 0.138 0.000 0.998 1244 V HN 0.687 nan 8.190 nan 0.000 0.424 1245 K N 2.760 123.138 120.400 -0.037 0.000 2.143 1245 K HA 0.575 4.895 4.320 0.000 0.000 0.272 1245 K C -0.677 175.842 176.600 -0.135 0.000 1.001 1245 K CA -0.645 55.608 56.287 -0.056 0.000 0.915 1245 K CB 2.201 34.680 32.500 -0.034 0.000 1.047 1245 K HN 0.453 nan 8.250 nan 0.000 0.458 1246 V N 4.329 124.153 119.914 -0.150 0.000 2.356 1246 V HA -0.002 4.118 4.120 0.000 0.000 0.258 1246 V C 1.003 176.844 176.094 -0.421 0.000 1.065 1246 V CA -0.045 62.117 62.300 -0.231 0.000 0.935 1246 V CB 0.748 32.461 31.823 -0.183 0.000 1.061 1246 V HN 0.631 nan 8.190 nan 0.000 0.484 1247 V N 3.710 123.369 119.914 -0.425 0.000 3.174 1247 V HA 0.159 4.279 4.120 0.000 0.000 0.254 1247 V C 0.898 176.676 176.094 -0.527 0.000 1.120 1247 V CA 0.962 62.921 62.300 -0.568 0.000 1.114 1247 V CB -0.066 31.603 31.823 -0.257 0.000 0.756 1247 V HN 0.739 nan 8.190 nan 0.000 0.467 1248 K N 1.018 121.211 120.400 -0.345 0.000 2.371 1248 K HA 0.442 4.762 4.320 0.000 0.000 0.251 1248 K C -1.446 175.010 176.600 -0.240 0.000 0.934 1248 K CA -0.586 55.538 56.287 -0.272 0.000 0.798 1248 K CB 1.757 34.158 32.500 -0.165 0.000 1.204 1248 K HN 0.100 nan 8.250 nan 0.000 0.427 1249 N N 2.642 121.201 118.700 -0.234 0.000 2.478 1249 N HA 0.216 4.957 4.740 0.000 0.000 0.291 1249 N C -0.934 174.451 175.510 -0.208 0.000 1.090 1249 N CA -0.331 52.592 53.050 -0.211 0.000 0.911 1249 N CB 1.680 40.024 38.487 -0.239 0.000 1.546 1249 N HN 0.579 nan 8.380 nan 0.000 0.500 1250 K N 2.280 122.584 120.400 -0.160 0.000 2.358 1250 K HA 0.298 4.618 4.320 0.000 0.000 0.200 1250 K C 0.855 177.348 176.600 -0.178 0.000 1.030 1250 K CA 0.056 56.250 56.287 -0.155 0.000 1.097 1250 K CB 0.665 33.121 32.500 -0.073 0.000 0.862 1250 K HN 0.372 nan 8.250 nan 0.000 0.534 1251 I N -0.086 120.382 120.570 -0.170 0.000 3.300 1251 I HA 0.172 4.342 4.170 0.000 0.000 0.279 1251 I C 0.402 176.427 176.117 -0.153 0.000 1.172 1251 I CA 0.169 61.391 61.300 -0.130 0.000 1.431 1251 I CB 0.823 38.772 38.000 -0.085 0.000 1.240 1251 I HN -0.009 nan 8.210 nan 0.000 0.453 1252 A N -0.547 122.165 122.820 -0.179 0.000 2.765 1252 A HA 0.841 5.161 4.320 0.000 0.000 0.305 1252 A C -0.811 176.651 177.584 -0.204 0.000 1.229 1252 A CA -0.139 51.800 52.037 -0.163 0.000 0.653 1252 A CB -0.308 18.643 19.000 -0.083 0.000 1.375 1252 A HN 0.084 nan 8.150 nan 0.000 0.540 1253 A N 1.509 124.257 122.820 -0.120 0.000 2.548 1253 A HA 0.529 4.849 4.320 0.000 0.000 0.247 1253 A C -2.028 175.470 177.584 -0.144 0.000 1.067 1253 A CA -0.381 51.585 52.037 -0.119 0.000 0.757 1253 A CB -0.800 18.233 19.000 0.054 0.000 0.996 1253 A HN 0.481 nan 8.150 nan 0.000 0.504 1254 P HA 0.472 nan 4.420 nan 0.000 0.282 1254 P C 0.199 177.546 177.300 0.079 0.000 1.287 1254 P CA -0.213 62.783 63.100 -0.174 0.000 0.792 1254 P CB 0.295 31.825 31.700 -0.283 0.000 1.163 1255 F N -4.272 115.630 119.950 -0.080 0.000 2.590 1255 F HA -0.225 4.302 4.527 0.000 0.000 0.471 1255 F C 0.869 176.662 175.800 -0.012 0.000 0.551 1255 F CA 1.141 59.124 58.000 -0.030 0.000 1.228 1255 F CB -1.842 37.160 39.000 0.004 0.000 1.862 1255 F HN 0.242 nan 8.300 nan 0.000 0.271 1256 K N 2.314 122.789 120.400 0.125 0.000 2.448 1256 K HA 0.206 4.526 4.320 0.000 0.000 0.278 1256 K C 0.480 177.106 176.600 0.044 0.000 1.009 1256 K CA 0.249 56.582 56.287 0.077 0.000 0.995 1256 K CB 0.401 32.927 32.500 0.043 0.000 0.917 1256 K HN 0.413 nan 8.250 nan 0.000 0.481 1257 Q N 0.694 120.523 119.800 0.048 0.000 2.351 1257 Q HA 0.711 5.051 4.340 0.000 0.000 0.273 1257 Q C -1.383 174.644 176.000 0.045 0.000 1.077 1257 Q CA -1.268 54.560 55.803 0.041 0.000 0.843 1257 Q CB 2.010 30.777 28.738 0.047 0.000 1.367 1257 Q HN 0.508 nan 8.270 nan 0.000 0.449 1258 A N 1.869 124.731 122.820 0.069 0.000 2.332 1258 A HA 0.487 4.807 4.320 0.000 0.000 0.300 1258 A C -1.204 176.500 177.584 0.200 0.000 1.153 1258 A CA -0.686 51.425 52.037 0.122 0.000 0.764 1258 A CB 1.161 20.235 19.000 0.123 0.000 1.174 1258 A HN 0.762 nan 8.150 nan 0.000 0.467 1259 E N 1.628 121.930 120.200 0.170 0.000 2.176 1259 E HA 0.672 5.022 4.350 0.000 0.000 0.267 1259 E C -0.991 175.723 176.600 0.190 0.000 0.893 1259 E CA -0.343 56.110 56.400 0.089 0.000 0.761 1259 E CB 1.744 31.455 29.700 0.017 0.000 1.133 1259 E HN 0.669 nan 8.360 nan 0.000 0.409 1260 F N -0.703 119.231 119.950 -0.025 0.000 3.215 1260 F HA 0.465 4.992 4.527 0.000 0.000 0.326 1260 F C -1.410 174.376 175.800 -0.024 0.000 1.189 1260 F CA -1.229 56.753 58.000 -0.031 0.000 0.905 1260 F CB 1.160 40.134 39.000 -0.044 0.000 1.485 1260 F HN 0.118 nan 8.300 nan 0.000 0.508 1261 Q N 1.114 121.033 119.800 0.197 0.000 2.340 1261 Q HA 0.649 4.989 4.340 0.000 0.000 0.268 1261 Q C -1.419 174.678 176.000 0.162 0.000 1.031 1261 Q CA -0.680 55.150 55.803 0.045 0.000 0.804 1261 Q CB 3.097 31.849 28.738 0.023 0.000 1.286 1261 Q HN 0.558 nan 8.270 nan 0.000 0.448 1262 I N 3.800 124.385 120.570 0.026 0.000 2.388 1262 I HA 0.235 4.405 4.170 0.000 0.000 0.281 1262 I C -0.556 175.483 176.117 -0.130 0.000 1.046 1262 I CA -0.432 60.915 61.300 0.079 0.000 1.187 1262 I CB 0.570 38.669 38.000 0.166 0.000 1.351 1262 I HN 0.375 nan 8.210 nan 0.000 0.472 1263 L N 6.163 127.332 121.223 -0.090 0.000 2.360 1263 L HA 0.238 4.578 4.340 0.000 0.000 0.276 1263 L C -0.583 176.266 176.870 -0.034 0.000 1.121 1263 L CA -0.621 54.103 54.840 -0.193 0.000 0.845 1263 L CB -0.062 41.956 42.059 -0.067 0.000 1.143 1263 L HN 0.390 nan 8.230 nan 0.000 0.452 1264 Y N 1.447 121.840 120.300 0.155 0.000 2.436 1264 Y HA 0.362 4.912 4.550 0.000 0.000 0.336 1264 Y C 1.341 177.388 175.900 0.245 0.000 1.049 1264 Y CA -0.190 58.044 58.100 0.223 0.000 1.294 1264 Y CB 0.357 38.897 38.460 0.133 0.000 1.179 1264 Y HN 0.857 nan 8.280 nan 0.000 0.520 1265 G N 1.891 111.047 108.800 0.594 0.000 2.157 1265 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 1265 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 1265 G C 0.654 175.648 174.900 0.158 0.000 0.979 1265 G CA 0.512 45.844 45.100 0.387 0.000 0.650 1265 G HN 0.656 nan 8.290 nan 0.000 0.529 1266 E N -1.670 118.602 120.200 0.120 0.000 2.583 1266 E HA 0.439 4.789 4.350 0.000 0.000 0.204 1266 E C 1.388 177.996 176.600 0.014 0.000 0.860 1266 E CA 1.099 57.523 56.400 0.040 0.000 1.473 1266 E CB 0.607 30.337 29.700 0.049 0.000 1.469 1266 E HN 1.693 nan 8.360 nan 0.000 0.788 1267 G N 1.129 109.967 108.800 0.064 0.000 2.445 1267 G HA2 -0.195 3.765 3.960 0.000 0.000 0.212 1267 G HA3 -0.195 3.765 3.960 0.000 0.000 0.212 1267 G C -0.481 174.491 174.900 0.120 0.000 1.217 1267 G CA -0.353 44.792 45.100 0.075 0.000 1.002 1267 G HN 0.148 nan 8.290 nan 0.000 0.574 1268 I N 1.521 122.170 120.570 0.132 0.000 2.618 1268 I HA 0.089 4.259 4.170 0.000 0.000 0.284 1268 I C 0.587 176.793 176.117 0.149 0.000 1.146 1268 I CA -0.237 61.164 61.300 0.167 0.000 1.425 1268 I CB 0.705 38.730 38.000 0.042 0.000 1.383 1268 I HN 0.426 nan 8.210 nan 0.000 0.562 1269 N N 6.168 124.968 118.700 0.167 0.000 2.739 1269 N HA 0.006 4.746 4.740 0.000 0.000 0.266 1269 N C 0.591 176.182 175.510 0.136 0.000 1.168 1269 N CA 0.132 53.278 53.050 0.160 0.000 1.055 1269 N CB -0.118 38.443 38.487 0.123 0.000 1.393 1269 N HN 0.505 nan 8.380 nan 0.000 0.514 1270 F N 2.718 122.644 119.950 -0.039 0.000 2.069 1270 F HA -0.247 4.280 4.527 0.000 0.000 0.298 1270 F C 0.990 176.667 175.800 -0.205 0.000 1.113 1270 F CA 1.720 59.592 58.000 -0.213 0.000 1.214 1270 F CB -0.096 38.668 39.000 -0.394 0.000 0.978 1270 F HN 0.481 nan 8.300 nan 0.000 0.474 1271 Y N 0.054 120.487 120.300 0.222 0.000 2.293 1271 Y HA -0.006 4.544 4.550 0.000 0.000 0.291 1271 Y C 2.665 178.574 175.900 0.014 0.000 1.137 1271 Y CA 0.841 59.013 58.100 0.121 0.000 1.202 1271 Y CB -1.329 37.198 38.460 0.111 0.000 0.990 1271 Y HN 0.131 nan 8.280 nan 0.000 0.537 1272 G N 0.508 109.404 108.800 0.159 0.000 2.631 1272 G HA2 -0.343 3.617 3.960 0.000 0.000 0.219 1272 G HA3 -0.343 3.617 3.960 0.000 0.000 0.219 1272 G C 1.404 176.313 174.900 0.014 0.000 1.214 1272 G CA 1.617 46.756 45.100 0.065 0.000 0.785 1272 G HN 0.446 nan 8.290 nan 0.000 0.596 1273 E N -0.066 120.107 120.200 -0.044 0.000 2.033 1273 E HA -0.163 4.187 4.350 0.000 0.000 0.199 1273 E C 2.421 178.957 176.600 -0.106 0.000 1.011 1273 E CA 1.013 57.353 56.400 -0.100 0.000 0.815 1273 E CB -0.381 29.178 29.700 -0.236 0.000 0.755 1273 E HN 0.250 nan 8.360 nan 0.000 0.451 1274 L N 1.118 122.241 121.223 -0.167 0.000 2.030 1274 L HA -0.283 4.057 4.340 0.000 0.000 0.222 1274 L C 2.269 179.136 176.870 -0.004 0.000 1.082 1274 L CA 1.646 56.425 54.840 -0.102 0.000 0.785 1274 L CB -0.742 41.292 42.059 -0.042 0.000 0.895 1274 L HN 0.032 nan 8.230 nan 0.000 0.439 1275 V N -0.131 119.803 119.914 0.033 0.000 2.217 1275 V HA -0.413 3.707 4.120 0.000 0.000 0.248 1275 V C 2.329 178.475 176.094 0.087 0.000 1.050 1275 V CA 2.226 64.560 62.300 0.057 0.000 1.007 1275 V CB -0.970 30.846 31.823 -0.012 0.000 0.639 1275 V HN 0.476 nan 8.190 nan 0.000 0.452 1276 D N -0.118 120.325 120.400 0.071 0.000 2.157 1276 D HA -0.183 4.457 4.640 0.000 0.000 0.191 1276 D C 2.100 178.438 176.300 0.063 0.000 1.004 1276 D CA 1.335 55.386 54.000 0.085 0.000 0.854 1276 D CB -0.349 40.484 40.800 0.056 0.000 0.936 1276 D HN 0.199 nan 8.370 nan 0.000 0.446 1277 L N 0.529 121.767 121.223 0.025 0.000 2.046 1277 L HA -0.076 4.264 4.340 0.000 0.000 0.208 1277 L C 2.602 179.494 176.870 0.036 0.000 1.077 1277 L CA 1.669 56.516 54.840 0.011 0.000 0.747 1277 L CB -1.667 40.372 42.059 -0.033 0.000 0.896 1277 L HN 0.088 nan 8.230 nan 0.000 0.432 1278 G N -0.816 108.015 108.800 0.053 0.000 2.422 1278 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 1278 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 1278 G C 1.751 176.711 174.900 0.101 0.000 1.146 1278 G CA 0.963 46.112 45.100 0.081 0.000 0.769 1278 G HN 0.264 nan 8.290 nan 0.000 0.547 1279 V N 0.643 120.625 119.914 0.115 0.000 2.261 1279 V HA -0.134 3.986 4.120 0.000 0.000 0.246 1279 V C 2.654 178.787 176.094 0.064 0.000 1.047 1279 V CA 2.181 64.544 62.300 0.105 0.000 1.015 1279 V CB -0.425 31.479 31.823 0.136 0.000 0.642 1279 V HN 0.352 nan 8.190 nan 0.000 0.446 1280 K N -0.328 120.106 120.400 0.055 0.000 2.209 1280 K HA -0.148 4.172 4.320 0.000 0.000 0.204 1280 K C 1.618 178.240 176.600 0.035 0.000 1.048 1280 K CA 1.093 57.403 56.287 0.038 0.000 0.940 1280 K CB 0.065 32.585 32.500 0.033 0.000 0.729 1280 K HN 0.379 nan 8.250 nan 0.000 0.451 1281 E N 0.560 120.785 120.200 0.042 0.000 2.444 1281 E HA 0.010 4.360 4.350 0.000 0.000 0.191 1281 E C -0.214 176.416 176.600 0.049 0.000 1.041 1281 E CA 0.042 56.467 56.400 0.041 0.000 0.883 1281 E CB 0.661 30.385 29.700 0.039 0.000 1.024 1281 E HN 0.111 nan 8.360 nan 0.000 0.470 1282 K N -0.127 120.304 120.400 0.052 0.000 3.130 1282 K HA -0.203 4.117 4.320 0.000 0.000 0.282 1282 K C 0.949 177.596 176.600 0.078 0.000 1.145 1282 K CA 0.392 56.711 56.287 0.053 0.000 0.831 1282 K CB -2.031 30.491 32.500 0.036 0.000 1.226 1282 K HN 0.277 nan 8.250 nan 0.000 0.478 1283 L N -0.418 120.869 121.223 0.106 0.000 2.375 1283 L HA 0.168 4.508 4.340 0.000 0.000 0.215 1283 L C 0.981 177.998 176.870 0.245 0.000 1.108 1283 L CA 0.591 55.531 54.840 0.168 0.000 0.830 1283 L CB 0.190 42.345 42.059 0.159 0.000 0.959 1283 L HN 0.111 nan 8.230 nan 0.000 0.457 1284 I N -0.891 119.793 120.570 0.190 0.000 2.509 1284 I HA 0.209 4.379 4.170 0.000 0.000 0.293 1284 I C -0.271 175.925 176.117 0.131 0.000 1.020 1284 I CA -0.639 60.790 61.300 0.215 0.000 1.088 1284 I CB 2.221 40.360 38.000 0.232 0.000 1.267 1284 I HN -0.168 nan 8.210 nan 0.000 0.430 1285 E N 5.207 125.470 120.200 0.106 0.000 2.313 1285 E HA 0.252 4.602 4.350 0.000 0.000 0.276 1285 E C -0.704 175.876 176.600 -0.035 0.000 1.031 1285 E CA -0.340 56.079 56.400 0.031 0.000 0.857 1285 E CB 0.982 30.694 29.700 0.020 0.000 1.040 1285 E HN 0.323 nan 8.360 nan 0.000 0.408 1286 K N 2.779 123.117 120.400 -0.103 0.000 2.575 1286 K HA 0.493 4.813 4.320 0.000 0.000 0.236 1286 K C -1.603 174.921 176.600 -0.126 0.000 0.976 1286 K CA -0.593 55.552 56.287 -0.238 0.000 0.985 1286 K CB 0.981 33.255 32.500 -0.378 0.000 1.198 1286 K HN 0.492 nan 8.250 nan 0.000 0.464 1287 A N 3.570 126.356 122.820 -0.057 0.000 2.880 1287 A HA 0.569 4.889 4.320 0.000 0.000 0.328 1287 A C 0.833 178.433 177.584 0.027 0.000 1.440 1287 A CA 0.351 52.387 52.037 -0.002 0.000 1.068 1287 A CB -0.248 18.768 19.000 0.027 0.000 1.163 1287 A HN 1.061 nan 8.150 nan 0.000 0.510 1288 G N 1.304 110.086 108.800 -0.029 0.000 3.031 1288 G HA2 -0.061 3.899 3.960 0.000 0.000 0.289 1288 G HA3 -0.061 3.899 3.960 0.000 0.000 0.289 1288 G C 1.303 176.154 174.900 -0.081 0.000 1.393 1288 G CA 0.713 45.796 45.100 -0.028 0.000 1.010 1288 G HN 1.839 nan 8.290 nan 0.000 0.579 1289 A N -0.794 121.984 122.820 -0.071 0.000 2.229 1289 A HA 0.533 4.853 4.320 0.000 0.000 0.211 1289 A C 0.690 178.195 177.584 -0.132 0.000 1.193 1289 A CA 0.526 52.482 52.037 -0.134 0.000 0.879 1289 A CB 0.048 18.927 19.000 -0.202 0.000 0.911 1289 A HN 0.594 nan 8.150 nan 0.000 0.492 1290 W N -0.433 120.845 121.300 -0.037 0.000 2.287 1290 W HA 0.496 5.156 4.660 0.000 0.000 0.313 1290 W C -0.744 175.740 176.519 -0.059 0.000 1.267 1290 W CA -0.004 57.347 57.345 0.011 0.000 1.201 1290 W CB 0.371 29.822 29.460 -0.015 0.000 1.196 1290 W HN 0.216 nan 8.180 nan 0.000 0.536 1291 Y N 2.496 122.943 120.300 0.244 0.000 2.331 1291 Y HA 0.411 4.961 4.550 0.000 0.000 0.338 1291 Y C 0.377 176.329 175.900 0.087 0.000 0.976 1291 Y CA -0.599 57.575 58.100 0.124 0.000 1.137 1291 Y CB 1.315 39.815 38.460 0.067 0.000 1.172 1291 Y HN 0.158 nan 8.280 nan 0.000 0.478 1292 S N 2.635 118.433 115.700 0.163 0.000 2.568 1292 S HA 0.472 4.942 4.470 0.000 0.000 0.302 1292 S C -1.866 172.811 174.600 0.128 0.000 1.082 1292 S CA -0.776 57.467 58.200 0.071 0.000 1.009 1292 S CB 1.435 64.642 63.200 0.011 0.000 1.069 1292 S HN 0.483 nan 8.310 nan 0.000 0.500 1293 Y N 2.051 122.300 120.300 -0.085 0.000 2.326 1293 Y HA 0.380 4.930 4.550 0.000 0.000 0.329 1293 Y C 0.247 176.134 175.900 -0.021 0.000 0.973 1293 Y CA -1.099 56.980 58.100 -0.035 0.000 1.162 1293 Y CB 0.522 38.964 38.460 -0.030 0.000 1.147 1293 Y HN 0.831 nan 8.280 nan 0.000 0.456 1294 K N 4.605 124.728 120.400 -0.461 0.000 3.016 1294 K HA -0.277 4.043 4.320 0.000 0.000 0.262 1294 K C 0.930 177.408 176.600 -0.203 0.000 1.043 1294 K CA 1.121 57.165 56.287 -0.404 0.000 0.761 1294 K CB -1.476 30.667 32.500 -0.595 0.000 1.230 1294 K HN 1.332 nan 8.250 nan 0.000 0.485 1295 G N 0.250 108.970 108.800 -0.133 0.000 2.358 1295 G HA2 -0.337 3.623 3.960 0.000 0.000 0.224 1295 G HA3 -0.337 3.623 3.960 0.000 0.000 0.224 1295 G C -0.129 174.710 174.900 -0.100 0.000 1.073 1295 G CA 0.293 45.333 45.100 -0.100 0.000 0.635 1295 G HN 0.439 nan 8.290 nan 0.000 0.509 1296 E N 2.017 122.157 120.200 -0.100 0.000 2.257 1296 E HA 0.320 4.670 4.350 0.000 0.000 0.278 1296 E C 0.030 176.549 176.600 -0.135 0.000 1.049 1296 E CA -0.325 56.015 56.400 -0.100 0.000 0.876 1296 E CB 0.203 29.868 29.700 -0.058 0.000 1.035 1296 E HN 0.361 nan 8.360 nan 0.000 0.419 1297 K N 5.706 126.008 120.400 -0.163 0.000 2.378 1297 K HA 0.088 4.408 4.320 0.000 0.000 0.288 1297 K C 1.127 177.604 176.600 -0.205 0.000 1.057 1297 K CA -0.008 56.183 56.287 -0.160 0.000 0.971 1297 K CB 0.484 32.808 32.500 -0.293 0.000 0.975 1297 K HN 0.582 nan 8.250 nan 0.000 0.475 1298 I N -1.157 119.260 120.570 -0.255 0.000 3.462 1298 I HA 0.235 4.405 4.170 0.000 0.000 0.290 1298 I C 0.608 176.578 176.117 -0.245 0.000 1.236 1298 I CA -0.049 60.856 61.300 -0.658 0.000 1.418 1298 I CB 0.577 37.973 38.000 -1.006 0.000 1.102 1298 I HN 0.531 nan 8.210 nan 0.000 0.441 1299 G N 1.834 110.697 108.800 0.105 0.000 2.443 1299 G HA2 0.129 4.089 3.960 0.000 0.000 0.303 1299 G HA3 0.129 4.089 3.960 0.000 0.000 0.303 1299 G C -1.785 173.210 174.900 0.158 0.000 1.613 1299 G CA -0.657 44.540 45.100 0.162 0.000 0.879 1299 G HN 0.236 nan 8.290 nan 0.000 0.632 1300 Q N 0.884 120.537 119.800 -0.245 0.000 2.314 1300 Q HA 0.526 4.866 4.340 0.000 0.000 0.257 1300 Q C 0.572 176.401 176.000 -0.284 0.000 0.975 1300 Q CA 0.755 56.132 55.803 -0.710 0.000 0.933 1300 Q CB 0.675 28.494 28.738 -1.533 0.000 1.195 1300 Q HN 2.322 nan 8.270 nan 0.000 0.426 1301 G N 3.135 111.904 108.800 -0.053 0.000 2.692 1301 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 1301 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 1301 G C -0.066 174.753 174.900 -0.135 0.000 1.243 1301 G CA -0.082 45.027 45.100 0.015 0.000 0.782 1301 G HN 0.759 nan 8.290 nan 0.000 0.625 1302 K N 0.679 120.982 120.400 -0.162 0.000 2.147 1302 K HA 0.059 4.379 4.320 0.000 0.000 0.205 1302 K C 2.815 179.264 176.600 -0.252 0.000 1.049 1302 K CA 2.155 58.188 56.287 -0.423 0.000 0.936 1302 K CB -0.308 32.093 32.500 -0.164 0.000 0.722 1302 K HN 1.075 nan 8.250 nan 0.000 0.446 1303 A N 1.124 123.863 122.820 -0.135 0.000 1.972 1303 A HA -0.172 4.148 4.320 0.000 0.000 0.219 1303 A C 1.575 179.116 177.584 -0.072 0.000 1.169 1303 A CA 1.750 53.737 52.037 -0.083 0.000 0.635 1303 A CB -0.508 18.458 19.000 -0.058 0.000 0.810 1303 A HN 0.514 nan 8.150 nan 0.000 0.446 1304 N N -0.743 117.902 118.700 -0.092 0.000 2.409 1304 N HA 0.128 4.868 4.740 0.000 0.000 0.174 1304 N C 1.817 177.319 175.510 -0.014 0.000 1.037 1304 N CA 0.573 53.601 53.050 -0.037 0.000 0.898 1304 N CB -0.049 38.415 38.487 -0.038 0.000 1.010 1304 N HN 0.467 nan 8.380 nan 0.000 0.445 1305 A N 0.702 123.430 122.820 -0.154 0.000 1.969 1305 A HA -0.071 4.249 4.320 0.000 0.000 0.218 1305 A C 2.214 179.800 177.584 0.002 0.000 1.169 1305 A CA 1.307 53.257 52.037 -0.145 0.000 0.635 1305 A CB -0.655 18.003 19.000 -0.571 0.000 0.810 1305 A HN 0.134 nan 8.150 nan 0.000 0.445 1306 T N 0.455 114.984 114.554 -0.042 0.000 2.614 1306 T HA -0.025 4.325 4.350 0.000 0.000 0.263 1306 T C 2.188 176.884 174.700 -0.007 0.000 1.055 1306 T CA 1.713 63.816 62.100 0.006 0.000 1.162 1306 T CB -0.526 68.335 68.868 -0.012 0.000 0.863 1306 T HN 0.562 nan 8.240 nan 0.000 0.414 1307 A N -0.486 122.332 122.820 -0.003 0.000 2.172 1307 A HA -0.022 4.298 4.320 0.000 0.000 0.216 1307 A C 1.905 179.493 177.584 0.006 0.000 1.154 1307 A CA 0.932 52.953 52.037 -0.027 0.000 0.701 1307 A CB -0.877 18.120 19.000 -0.006 0.000 0.789 1307 A HN 0.753 nan 8.150 nan 0.000 0.465 1308 W N -0.383 120.862 121.300 -0.091 0.000 2.539 1308 W HA 0.132 4.792 4.660 0.000 0.000 0.281 1308 W C 1.450 177.914 176.519 -0.092 0.000 1.220 1308 W CA 0.914 58.221 57.345 -0.064 0.000 1.332 1308 W CB -0.036 29.416 29.460 -0.012 0.000 1.095 1308 W HN 0.190 nan 8.180 nan 0.000 0.571 1309 L N 0.989 122.203 121.223 -0.016 0.000 2.141 1309 L HA -0.134 4.206 4.340 0.000 0.000 0.209 1309 L C 2.541 179.098 176.870 -0.521 0.000 1.094 1309 L CA 1.330 56.040 54.840 -0.217 0.000 0.763 1309 L CB -0.686 41.455 42.059 0.137 0.000 0.908 1309 L HN -0.103 nan 8.230 nan 0.000 0.437 1310 K N -0.007 120.007 120.400 -0.643 0.000 2.097 1310 K HA -0.237 4.084 4.320 0.000 0.000 0.206 1310 K C 1.589 177.898 176.600 -0.485 0.000 1.049 1310 K CA 1.866 57.689 56.287 -0.773 0.000 0.933 1310 K CB 0.036 32.228 32.500 -0.514 0.000 0.717 1310 K HN 0.182 nan 8.250 nan 0.000 0.442 1311 D N -0.266 119.875 120.400 -0.432 0.000 2.194 1311 D HA -0.039 4.601 4.640 0.000 0.000 0.204 1311 D C -0.309 175.722 176.300 -0.447 0.000 0.964 1311 D CA 0.737 54.513 54.000 -0.373 0.000 0.846 1311 D CB 0.238 40.847 40.800 -0.318 0.000 0.962 1311 D HN 0.052 nan 8.370 nan 0.000 0.490 1312 N N -0.381 117.922 118.700 -0.661 0.000 2.898 1312 N HA 0.227 4.967 4.740 0.000 0.000 0.245 1312 N C -2.199 173.080 175.510 -0.386 0.000 1.185 1312 N CA -1.217 51.484 53.050 -0.582 0.000 0.879 1312 N CB 1.871 39.844 38.487 -0.856 0.000 1.157 1312 N HN -0.033 nan 8.380 nan 0.000 0.503 1313 P HA -0.132 nan 4.420 nan 0.000 0.222 1313 P C 0.844 178.113 177.300 -0.052 0.000 1.147 1313 P CA 0.972 64.022 63.100 -0.083 0.000 0.790 1313 P CB 0.424 32.087 31.700 -0.063 0.000 0.780 1314 E N -0.382 119.773 120.200 -0.076 0.000 2.038 1314 E HA -0.138 4.212 4.350 0.000 0.000 0.195 1314 E C 1.743 178.338 176.600 -0.009 0.000 1.000 1314 E CA 1.706 58.087 56.400 -0.031 0.000 0.803 1314 E CB -1.777 27.910 29.700 -0.023 0.000 0.750 1314 E HN 0.289 nan 8.360 nan 0.000 0.448 1315 T N 1.704 116.235 114.554 -0.039 0.000 2.821 1315 T HA -0.018 4.332 4.350 0.000 0.000 0.267 1315 T C 2.118 176.802 174.700 -0.027 0.000 1.046 1315 T CA 1.379 63.478 62.100 -0.002 0.000 1.139 1315 T CB -0.279 68.600 68.868 0.018 0.000 0.871 1315 T HN 0.319 nan 8.240 nan 0.000 0.454 1316 A N 2.316 125.128 122.820 -0.014 0.000 1.877 1316 A HA -0.138 4.182 4.320 0.000 0.000 0.216 1316 A C 2.333 179.958 177.584 0.069 0.000 1.186 1316 A CA 1.229 53.313 52.037 0.080 0.000 0.620 1316 A CB -0.342 18.802 19.000 0.239 0.000 0.822 1316 A HN 0.221 nan 8.150 nan 0.000 0.443 1317 K N -0.170 120.260 120.400 0.050 0.000 2.032 1317 K HA -0.188 4.132 4.320 0.000 0.000 0.209 1317 K C 1.894 178.518 176.600 0.040 0.000 1.048 1317 K CA 1.670 57.980 56.287 0.039 0.000 0.927 1317 K CB -0.592 31.921 32.500 0.021 0.000 0.712 1317 K HN 0.757 nan 8.250 nan 0.000 0.441 1318 E N 0.522 120.748 120.200 0.043 0.000 2.085 1318 E HA -0.148 4.202 4.350 0.000 0.000 0.194 1318 E C 2.074 178.712 176.600 0.063 0.000 0.994 1318 E CA 0.982 57.421 56.400 0.065 0.000 0.801 1318 E CB 0.013 29.773 29.700 0.099 0.000 0.743 1318 E HN 0.250 nan 8.360 nan 0.000 0.453 1319 I N 0.345 120.931 120.570 0.026 0.000 2.277 1319 I HA -0.189 3.981 4.170 0.000 0.000 0.243 1319 I C 2.608 178.741 176.117 0.027 0.000 1.094 1319 I CA 0.933 62.242 61.300 0.014 0.000 1.393 1319 I CB -0.392 37.572 38.000 -0.060 0.000 1.078 1319 I HN 0.186 nan 8.210 nan 0.000 0.417 1320 E N 1.889 122.107 120.200 0.031 0.000 2.048 1320 E HA -0.346 4.004 4.350 0.000 0.000 0.202 1320 E C 2.230 178.844 176.600 0.023 0.000 1.021 1320 E CA 2.033 58.450 56.400 0.028 0.000 0.825 1320 E CB -0.058 29.685 29.700 0.072 0.000 0.756 1320 E HN 0.278 nan 8.360 nan 0.000 0.454 1321 K N 0.358 120.778 120.400 0.032 0.000 2.032 1321 K HA -0.195 4.125 4.320 0.000 0.000 0.209 1321 K C 2.185 178.802 176.600 0.029 0.000 1.048 1321 K CA 1.757 58.062 56.287 0.029 0.000 0.927 1321 K CB -0.000 32.519 32.500 0.031 0.000 0.712 1321 K HN 0.008 nan 8.250 nan 0.000 0.441 1322 K N 0.147 120.571 120.400 0.040 0.000 2.211 1322 K HA -0.088 4.232 4.320 0.000 0.000 0.203 1322 K C 1.955 178.576 176.600 0.035 0.000 1.050 1322 K CA 1.019 57.333 56.287 0.045 0.000 0.945 1322 K CB 0.087 32.628 32.500 0.068 0.000 0.732 1322 K HN 0.011 nan 8.250 nan 0.000 0.451 1323 V N 1.233 121.162 119.914 0.026 0.000 2.270 1323 V HA -0.256 3.864 4.120 0.000 0.000 0.245 1323 V C 2.208 178.304 176.094 0.002 0.000 1.043 1323 V CA 1.647 63.953 62.300 0.011 0.000 1.014 1323 V CB -0.431 31.386 31.823 -0.011 0.000 0.645 1323 V HN 0.289 nan 8.190 nan 0.000 0.447 1324 R N -0.123 120.375 120.500 -0.002 0.000 2.094 1324 R HA -0.229 4.111 4.340 0.000 0.000 0.239 1324 R C 2.329 178.632 176.300 0.004 0.000 1.137 1324 R CA 2.042 58.139 56.100 -0.005 0.000 0.943 1324 R CB -0.438 29.860 30.300 -0.002 0.000 0.850 1324 R HN 0.606 nan 8.270 nan 0.000 0.433 1325 E N 0.431 120.638 120.200 0.012 0.000 2.130 1325 E HA -0.216 4.134 4.350 0.000 0.000 0.196 1325 E C 1.982 178.592 176.600 0.016 0.000 0.998 1325 E CA 1.134 57.543 56.400 0.016 0.000 0.806 1325 E CB -0.071 29.641 29.700 0.021 0.000 0.738 1325 E HN 0.322 nan 8.360 nan 0.000 0.459 1326 L N -0.256 120.977 121.223 0.017 0.000 2.209 1326 L HA -0.046 4.294 4.340 0.000 0.000 0.207 1326 L C 1.896 178.775 176.870 0.014 0.000 1.094 1326 L CA 0.551 55.401 54.840 0.018 0.000 0.790 1326 L CB 0.248 42.320 42.059 0.022 0.000 0.932 1326 L HN 0.105 nan 8.230 nan 0.000 0.447 1327 L N -0.796 120.433 121.223 0.009 0.000 2.858 1327 L HA 0.232 4.572 4.340 0.000 0.000 0.251 1327 L C -0.190 176.682 176.870 0.004 0.000 1.149 1327 L CA -0.193 54.651 54.840 0.006 0.000 0.955 1327 L CB 0.723 42.782 42.059 0.000 0.000 1.289 1327 L HN 0.055 nan 8.230 nan 0.000 0.542 1328 L N 0.435 121.660 121.223 0.003 0.000 2.255 1328 L HA 0.230 4.570 4.340 0.000 0.000 0.289 1328 L C 0.843 177.719 176.870 0.011 0.000 1.046 1328 L CA -0.201 54.641 54.840 0.002 0.000 0.816 1328 L CB 1.322 43.379 42.059 -0.003 0.000 1.197 1328 L HN 0.069 nan 8.230 nan 0.000 0.427 1329 S N 1.665 117.375 115.700 0.015 0.000 2.699 1329 S HA 0.218 4.688 4.470 0.000 0.000 0.251 1329 S C 0.374 174.988 174.600 0.023 0.000 1.179 1329 S CA -0.510 57.706 58.200 0.026 0.000 1.200 1329 S CB -0.447 62.776 63.200 0.038 0.000 0.848 1329 S HN 0.781 nan 8.310 nan 0.000 0.472 1330 N N 1.492 120.200 118.700 0.013 0.000 3.565 1330 N HA 0.130 4.870 4.740 0.000 0.000 0.139 1330 N C -3.267 172.246 175.510 0.004 0.000 1.179 1330 N CA -0.404 52.652 53.050 0.010 0.000 1.876 1330 N CB 1.073 39.559 38.487 -0.002 0.000 1.640 1330 N HN 0.261 nan 8.380 nan 0.000 0.702 1331 P HA -0.014 nan 4.420 nan 0.000 0.270 1331 P C 0.012 177.313 177.300 0.003 0.000 1.221 1331 P CA 0.109 63.212 63.100 0.005 0.000 0.788 1331 P CB 0.632 32.337 31.700 0.008 0.000 0.904 1332 N N 0.179 118.880 118.700 0.002 0.000 2.525 1332 N HA 0.093 4.833 4.740 0.000 0.000 0.271 1332 N C 0.057 175.569 175.510 0.003 0.000 1.194 1332 N CA 0.072 53.123 53.050 0.000 0.000 0.964 1332 N CB 0.428 38.914 38.487 -0.001 0.000 1.126 1332 N HN 0.438 nan 8.380 nan 0.000 0.452 2002 I N 0.802 121.372 120.570 0.001 0.000 2.385 2002 I HA 0.015 4.185 4.170 0.000 0.000 0.244 2002 I C 1.923 178.041 176.117 0.000 0.000 1.089 2002 I CA 1.393 62.694 61.300 0.001 0.000 1.410 2002 I CB -0.127 37.873 38.000 0.000 0.000 1.117 2002 I HN 0.386 nan 8.210 nan 0.000 0.429 2003 D N 0.739 121.138 120.400 -0.001 0.000 2.339 2003 D HA -0.078 4.562 4.640 0.000 0.000 0.217 2003 D C 1.293 177.593 176.300 -0.001 0.000 1.050 2003 D CA 0.512 54.511 54.000 -0.001 0.000 0.856 2003 D CB -0.012 40.786 40.800 -0.003 0.000 0.922 2003 D HN 0.425 nan 8.370 nan 0.000 0.518 2004 E N -0.349 119.851 120.200 0.000 0.000 2.472 2004 E HA 0.094 4.444 4.350 0.000 0.000 0.196 2004 E C 1.081 177.682 176.600 0.002 0.000 1.033 2004 E CA -0.142 56.259 56.400 0.001 0.000 0.886 2004 E CB 0.221 29.921 29.700 0.000 0.000 0.944 2004 E HN 0.043 nan 8.360 nan 0.000 0.492 2005 N N 0.814 119.515 118.700 0.002 0.000 2.416 2005 N HA -0.022 4.718 4.740 0.000 0.000 0.177 2005 N C 1.162 176.674 175.510 0.003 0.000 1.036 2005 N CA 0.695 53.747 53.050 0.003 0.000 0.901 2005 N CB 0.266 38.755 38.487 0.004 0.000 0.976 2005 N HN 0.120 nan 8.380 nan 0.000 0.444 2006 K N 0.559 120.961 120.400 0.002 0.000 2.005 2006 K HA 0.014 4.334 4.320 0.000 0.000 0.206 2006 K C 1.708 178.309 176.600 0.002 0.000 1.044 2006 K CA 0.872 57.161 56.287 0.002 0.000 0.942 2006 K CB -0.122 32.378 32.500 0.000 0.000 0.727 2006 K HN 0.143 nan 8.250 nan 0.000 0.439 2007 Q N 0.895 120.696 119.800 0.002 0.000 2.369 2007 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 2007 Q C 1.970 177.972 176.000 0.003 0.000 0.963 2007 Q CA 0.879 56.684 55.803 0.002 0.000 0.894 2007 Q CB 0.192 28.931 28.738 0.001 0.000 0.965 2007 Q HN 0.177 nan 8.270 nan 0.000 0.475 2008 K N 0.268 120.670 120.400 0.003 0.000 2.116 2008 K HA -0.027 4.293 4.320 0.000 0.000 0.203 2008 K C 1.614 178.217 176.600 0.005 0.000 1.052 2008 K CA 1.175 57.464 56.287 0.004 0.000 0.952 2008 K CB 0.044 32.546 32.500 0.004 0.000 0.729 2008 K HN 0.146 nan 8.250 nan 0.000 0.446 2009 A N 1.089 123.912 122.820 0.005 0.000 2.178 2009 A HA 0.045 4.365 4.320 0.000 0.000 0.211 2009 A C 1.841 179.430 177.584 0.008 0.000 1.157 2009 A CA 0.141 52.182 52.037 0.007 0.000 0.780 2009 A CB -0.177 18.827 19.000 0.007 0.000 0.828 2009 A HN 0.352 nan 8.150 nan 0.000 0.476 2010 L N -0.099 121.128 121.223 0.007 0.000 1.993 2010 L HA 0.065 4.405 4.340 0.000 0.000 0.206 2010 L C 2.490 179.367 176.870 0.011 0.000 1.074 2010 L CA 2.306 57.151 54.840 0.008 0.000 0.746 2010 L CB -0.637 41.425 42.059 0.006 0.000 0.896 2010 L HN 0.226 nan 8.230 nan 0.000 0.435 2011 A N -0.637 122.188 122.820 0.009 0.000 2.121 2011 A HA 0.055 4.375 4.320 0.000 0.000 0.218 2011 A C 2.280 179.870 177.584 0.010 0.000 1.154 2011 A CA 1.396 53.439 52.037 0.010 0.000 0.679 2011 A CB -0.997 18.007 19.000 0.007 0.000 0.795 2011 A HN 0.636 nan 8.150 nan 0.000 0.458 2012 A N -0.613 122.213 122.820 0.009 0.000 2.021 2012 A HA 0.408 4.728 4.320 0.000 0.000 0.216 2012 A C 2.330 179.920 177.584 0.011 0.000 1.163 2012 A CA 1.361 53.403 52.037 0.008 0.000 0.676 2012 A CB -0.559 18.445 19.000 0.006 0.000 0.818 2012 A HN 0.815 nan 8.150 nan 0.000 0.453 2013 A N -0.415 122.414 122.820 0.015 0.000 1.898 2013 A HA 0.165 4.485 4.320 0.000 0.000 0.214 2013 A C 1.973 179.575 177.584 0.031 0.000 1.183 2013 A CA 1.208 53.259 52.037 0.023 0.000 0.622 2013 A CB -0.577 18.436 19.000 0.023 0.000 0.824 2013 A HN 0.354 nan 8.150 nan 0.000 0.444 2014 L N 0.149 121.389 121.223 0.027 0.000 1.976 2014 L HA -0.213 4.127 4.340 0.000 0.000 0.223 2014 L C 2.740 179.630 176.870 0.034 0.000 1.081 2014 L CA 2.400 57.259 54.840 0.032 0.000 0.784 2014 L CB -0.970 41.103 42.059 0.023 0.000 0.896 2014 L HN 0.411 nan 8.230 nan 0.000 0.438 2015 G N -2.158 106.655 108.800 0.021 0.000 2.432 2015 G HA2 -0.346 3.614 3.960 0.000 0.000 0.219 2015 G HA3 -0.346 3.614 3.960 0.000 0.000 0.219 2015 G C 1.483 176.386 174.900 0.006 0.000 1.135 2015 G CA 0.927 46.036 45.100 0.014 0.000 0.767 2015 G HN 0.443 nan 8.290 nan 0.000 0.550 2016 Q N 0.474 120.279 119.800 0.007 0.000 2.050 2016 Q HA -0.023 4.317 4.340 0.000 0.000 0.202 2016 Q C 2.345 178.338 176.000 -0.011 0.000 0.980 2016 Q CA 1.431 57.229 55.803 -0.008 0.000 0.840 2016 Q CB -0.393 28.347 28.738 0.003 0.000 0.898 2016 Q HN 0.528 nan 8.270 nan 0.000 0.424 2017 I N 0.248 120.851 120.570 0.055 0.000 2.252 2017 I HA -0.211 3.959 4.170 0.000 0.000 0.245 2017 I C 2.256 178.456 176.117 0.139 0.000 1.102 2017 I CA 1.335 62.728 61.300 0.155 0.000 1.385 2017 I CB -0.314 37.809 38.000 0.204 0.000 1.064 2017 I HN 0.301 nan 8.210 nan 0.000 0.414 2018 E N 0.762 121.012 120.200 0.083 0.000 2.118 2018 E HA -0.273 4.077 4.350 0.000 0.000 0.195 2018 E C 2.128 178.740 176.600 0.020 0.000 0.992 2018 E CA 1.134 57.573 56.400 0.066 0.000 0.804 2018 E CB -0.045 29.681 29.700 0.044 0.000 0.741 2018 E HN 0.331 nan 8.360 nan 0.000 0.458 2019 K N 0.470 120.855 120.400 -0.025 0.000 2.217 2019 K HA -0.124 4.196 4.320 0.000 0.000 0.202 2019 K C 1.983 178.501 176.600 -0.136 0.000 1.051 2019 K CA 0.835 57.086 56.287 -0.060 0.000 0.952 2019 K CB 0.197 32.664 32.500 -0.055 0.000 0.736 2019 K HN 0.118 nan 8.250 nan 0.000 0.453 2020 Q N -1.203 118.438 119.800 -0.266 0.000 2.123 2020 Q HA -0.027 4.313 4.340 0.000 0.000 0.196 2020 Q C 0.906 176.581 176.000 -0.541 0.000 0.958 2020 Q CA 1.094 56.556 55.803 -0.568 0.000 0.841 2020 Q CB 0.280 28.366 28.738 -1.086 0.000 0.915 2020 Q HN 0.222 nan 8.270 nan 0.000 0.455 2021 F N -1.157 118.802 119.950 0.014 0.000 2.728 2021 F HA 0.410 4.937 4.527 0.000 0.000 0.314 2021 F C 0.827 176.639 175.800 0.019 0.000 1.094 2021 F CA 0.370 58.381 58.000 0.017 0.000 1.217 2021 F CB 1.277 40.289 39.000 0.020 0.000 1.056 2021 F HN 0.043 nan 8.300 nan 0.000 0.577 2022 G N 0.181 109.063 108.800 0.136 0.000 2.408 2022 G HA2 -0.101 3.859 3.960 0.000 0.000 0.682 2022 G HA3 -0.101 3.859 3.960 0.000 0.000 0.682 2022 G C 0.406 175.352 174.900 0.078 0.000 1.303 2022 G CA -0.718 44.438 45.100 0.092 0.000 0.966 2022 G HN -0.157 nan 8.290 nan 0.000 0.560 2023 K N 0.038 120.472 120.400 0.057 0.000 1.975 2023 K HA -0.105 4.215 4.320 0.000 0.000 0.225 2023 K C 2.109 178.740 176.600 0.052 0.000 1.050 2023 K CA 1.922 58.236 56.287 0.046 0.000 0.992 2023 K CB -0.769 31.753 32.500 0.036 0.000 0.738 2023 K HN 1.049 nan 8.250 nan 0.000 0.446 2024 G N 1.250 110.081 108.800 0.052 0.000 3.882 2024 G HA2 0.106 4.066 3.960 0.000 0.000 0.283 2024 G HA3 0.106 4.066 3.960 0.000 0.000 0.283 2024 G C 1.054 175.989 174.900 0.059 0.000 1.283 2024 G CA 0.167 45.297 45.100 0.050 0.000 1.402 2024 G HN 0.317 nan 8.290 nan 0.000 0.618 2025 S N -0.000 115.747 115.700 0.078 0.000 2.368 2025 S HA 0.078 4.548 4.470 0.000 0.000 0.225 2025 S C 0.836 175.469 174.600 0.055 0.000 1.030 2025 S CA 0.491 58.742 58.200 0.086 0.000 0.999 2025 S CB 0.242 63.540 63.200 0.163 0.000 0.844 2025 S HN 0.384 nan 8.310 nan 0.000 0.459 2026 I N 1.213 121.819 120.570 0.060 0.000 2.656 2026 I HA 0.599 4.769 4.170 0.000 0.000 0.292 2026 I C -1.310 174.828 176.117 0.036 0.000 1.144 2026 I CA -1.289 60.037 61.300 0.043 0.000 1.038 2026 I CB 1.934 39.963 38.000 0.048 0.000 1.244 2026 I HN 0.500 nan 8.210 nan 0.000 0.420 2027 M N 4.088 123.704 119.600 0.027 0.000 2.949 2027 M HA 0.565 5.045 4.480 0.000 0.000 0.270 2027 M C -1.338 174.970 176.300 0.013 0.000 1.221 2027 M CA -1.075 54.237 55.300 0.020 0.000 0.818 2027 M CB 1.399 34.011 32.600 0.019 0.000 1.635 2027 M HN 0.279 nan 8.290 nan 0.000 0.492 2028 R N 0.914 121.419 120.500 0.008 0.000 2.590 2028 R HA 0.307 4.647 4.340 0.000 0.000 0.274 2028 R C 0.947 177.243 176.300 -0.006 0.000 1.061 2028 R CA -0.189 55.912 56.100 0.001 0.000 1.081 2028 R CB 0.353 30.653 30.300 -0.001 0.000 0.984 2028 R HN 0.684 nan 8.270 nan 0.000 0.448 2029 L N 2.070 123.283 121.223 -0.017 0.000 1.989 2029 L HA -0.161 4.179 4.340 0.000 0.000 0.211 2029 L C 1.978 178.833 176.870 -0.026 0.000 1.071 2029 L CA 2.147 56.967 54.840 -0.033 0.000 0.749 2029 L CB -0.657 41.366 42.059 -0.060 0.000 0.890 2029 L HN 1.018 nan 8.230 nan 0.000 0.431 2030 G N -0.066 108.720 108.800 -0.022 0.000 2.517 2030 G HA2 -0.274 3.686 3.960 0.000 0.000 0.222 2030 G HA3 -0.274 3.686 3.960 0.000 0.000 0.222 2030 G C 0.883 175.776 174.900 -0.010 0.000 1.109 2030 G CA 1.015 46.104 45.100 -0.017 0.000 0.746 2030 G HN 0.728 nan 8.290 nan 0.000 0.576 2031 E N 0.016 120.212 120.200 -0.007 0.000 2.939 2031 E HA 0.225 4.575 4.350 0.000 0.000 0.215 2031 E C -1.060 175.541 176.600 0.002 0.000 1.025 2031 E CA -0.570 55.829 56.400 -0.001 0.000 1.259 2031 E CB 0.429 30.130 29.700 0.001 0.000 1.228 2031 E HN 0.055 nan 8.360 nan 0.000 0.443 2032 D N 1.371 121.771 120.400 -0.001 0.000 2.329 2032 D HA 0.156 4.796 4.640 0.000 0.000 0.232 2032 D C 0.639 176.943 176.300 0.006 0.000 1.088 2032 D CA -0.451 53.551 54.000 0.004 0.000 0.835 2032 D CB 1.026 41.826 40.800 0.001 0.000 1.078 2032 D HN 0.011 nan 8.370 nan 0.000 0.495 2033 R N 1.447 121.953 120.500 0.011 0.000 2.173 2033 R HA -0.024 4.316 4.340 0.000 0.000 0.208 2033 R C 1.906 178.215 176.300 0.016 0.000 1.035 2033 R CA 0.457 56.564 56.100 0.012 0.000 1.004 2033 R CB -0.586 29.721 30.300 0.012 0.000 0.917 2033 R HN 0.451 nan 8.270 nan 0.000 0.462 2034 S N -0.060 115.654 115.700 0.023 0.000 2.489 2034 S HA -0.067 4.403 4.470 0.000 0.000 0.228 2034 S C 1.898 176.519 174.600 0.034 0.000 0.995 2034 S CA 0.540 58.759 58.200 0.032 0.000 0.934 2034 S CB -0.019 63.208 63.200 0.044 0.000 0.771 2034 S HN 0.049 nan 8.310 nan 0.000 0.522 2035 M N 2.389 122.003 119.600 0.024 0.000 2.200 2035 M HA 0.172 4.652 4.480 0.000 0.000 0.265 2035 M C -0.557 175.749 176.300 0.011 0.000 1.066 2035 M CA 0.613 55.923 55.300 0.016 0.000 1.127 2035 M CB -0.803 31.795 32.600 -0.003 0.000 1.379 2035 M HN 0.032 nan 8.290 nan 0.000 0.420 2036 D N 0.973 121.378 120.400 0.008 0.000 2.730 2036 D HA -0.063 4.577 4.640 0.000 0.000 0.225 2036 D C -0.283 176.021 176.300 0.007 0.000 1.107 2036 D CA 0.327 54.331 54.000 0.006 0.000 0.837 2036 D CB 0.382 41.185 40.800 0.005 0.000 1.171 2036 D HN -0.025 nan 8.370 nan 0.000 0.498 2037 V N 3.390 123.306 119.914 0.003 0.000 2.304 2037 V HA -0.068 4.052 4.120 0.000 0.000 0.239 2037 V C 0.921 177.015 176.094 -0.001 0.000 1.201 2037 V CA 0.329 62.630 62.300 0.001 0.000 1.254 2037 V CB -0.803 31.019 31.823 -0.002 0.000 1.335 2037 V HN 0.387 nan 8.190 nan 0.000 0.491 2038 E N 3.671 123.872 120.200 0.001 0.000 2.200 2038 E HA 0.428 4.778 4.350 0.000 0.000 0.283 2038 E C 0.101 176.697 176.600 -0.005 0.000 1.015 2038 E CA -0.466 55.933 56.400 -0.001 0.000 0.819 2038 E CB 1.042 30.742 29.700 0.001 0.000 1.081 2038 E HN 0.702 nan 8.360 nan 0.000 0.397 2039 T N 2.436 116.985 114.554 -0.008 0.000 2.856 2039 T HA 0.530 4.880 4.350 0.000 0.000 0.283 2039 T C -0.114 174.578 174.700 -0.013 0.000 1.008 2039 T CA -0.959 61.133 62.100 -0.013 0.000 0.997 2039 T CB 0.936 69.794 68.868 -0.016 0.000 0.992 2039 T HN 0.239 nan 8.240 nan 0.000 0.454 2040 I N 1.972 122.533 120.570 -0.016 0.000 2.607 2040 I HA 0.416 4.586 4.170 0.000 0.000 0.305 2040 I C 1.028 177.135 176.117 -0.017 0.000 0.995 2040 I CA -0.725 60.564 61.300 -0.017 0.000 1.148 2040 I CB 1.822 39.810 38.000 -0.019 0.000 1.323 2040 I HN 0.866 nan 8.210 nan 0.000 0.461 2041 S N 1.952 117.644 115.700 -0.013 0.000 2.568 2041 S HA 0.061 4.531 4.470 0.000 0.000 0.282 2041 S C 1.331 175.926 174.600 -0.009 0.000 1.338 2041 S CA 0.083 58.284 58.200 0.001 0.000 1.045 2041 S CB 0.397 63.606 63.200 0.016 0.000 0.873 2041 S HN 0.772 nan 8.310 nan 0.000 0.516 2042 T N 1.391 115.937 114.554 -0.014 0.000 3.067 2042 T HA 0.319 4.669 4.350 0.000 0.000 0.257 2042 T C 1.474 176.159 174.700 -0.026 0.000 1.105 2042 T CA 0.591 62.672 62.100 -0.032 0.000 1.104 2042 T CB -0.269 68.559 68.868 -0.067 0.000 0.925 2042 T HN 1.492 nan 8.240 nan 0.000 0.498 2043 G N 0.555 109.372 108.800 0.028 0.000 2.175 2043 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 2043 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 2043 G C 0.143 175.089 174.900 0.076 0.000 0.982 2043 G CA 0.130 45.281 45.100 0.085 0.000 0.641 2043 G HN 1.039 nan 8.290 nan 0.000 0.527 2044 S N -0.468 115.141 115.700 -0.151 0.000 2.779 2044 S HA 0.603 5.073 4.470 0.000 0.000 0.293 2044 S C 1.011 175.346 174.600 -0.441 0.000 1.150 2044 S CA 0.077 57.980 58.200 -0.494 0.000 1.057 2044 S CB 1.282 63.924 63.200 -0.930 0.000 1.021 2044 S HN 0.894 nan 8.310 nan 0.000 0.485 2045 L N 5.649 126.487 121.223 -0.642 0.000 1.976 2045 L HA -0.025 4.315 4.340 0.000 0.000 0.209 2045 L C 2.713 179.404 176.870 -0.298 0.000 1.071 2045 L CA 2.898 57.429 54.840 -0.516 0.000 0.746 2045 L CB -0.938 40.696 42.059 -0.710 0.000 0.890 2045 L HN 0.901 nan 8.230 nan 0.000 0.432 2046 S N -1.038 114.501 115.700 -0.268 0.000 2.420 2046 S HA -0.262 4.208 4.470 0.000 0.000 0.237 2046 S C 2.088 176.629 174.600 -0.098 0.000 1.023 2046 S CA 1.713 59.834 58.200 -0.130 0.000 0.991 2046 S CB -1.061 62.111 63.200 -0.047 0.000 0.792 2046 S HN 0.515 nan 8.310 nan 0.000 0.488 2047 L N 1.405 122.536 121.223 -0.154 0.000 2.023 2047 L HA -0.080 4.260 4.340 0.000 0.000 0.205 2047 L C 2.215 179.029 176.870 -0.094 0.000 1.073 2047 L CA 1.896 56.673 54.840 -0.105 0.000 0.745 2047 L CB -0.517 41.451 42.059 -0.152 0.000 0.900 2047 L HN 0.228 nan 8.230 nan 0.000 0.435 2048 D N 0.111 120.441 120.400 -0.117 0.000 2.158 2048 D HA -0.239 4.401 4.640 0.000 0.000 0.197 2048 D C 2.209 178.468 176.300 -0.068 0.000 0.995 2048 D CA 1.651 55.601 54.000 -0.083 0.000 0.846 2048 D CB -0.115 40.638 40.800 -0.078 0.000 0.941 2048 D HN 0.418 nan 8.370 nan 0.000 0.456 2049 I N 1.330 121.855 120.570 -0.076 0.000 2.179 2049 I HA -0.258 3.912 4.170 0.000 0.000 0.242 2049 I C 2.567 178.663 176.117 -0.035 0.000 1.088 2049 I CA 1.113 62.382 61.300 -0.052 0.000 1.357 2049 I CB -0.169 37.798 38.000 -0.055 0.000 1.051 2049 I HN -0.080 nan 8.210 nan 0.000 0.409 2050 A N 0.474 123.273 122.820 -0.035 0.000 1.972 2050 A HA -0.154 4.166 4.320 0.000 0.000 0.219 2050 A C 2.246 179.806 177.584 -0.039 0.000 1.169 2050 A CA 1.277 53.300 52.037 -0.023 0.000 0.635 2050 A CB -0.825 18.167 19.000 -0.013 0.000 0.810 2050 A HN 0.409 nan 8.150 nan 0.000 0.446 2051 L N -1.523 119.669 121.223 -0.052 0.000 2.191 2051 L HA -0.054 4.286 4.340 0.000 0.000 0.212 2051 L C 2.263 179.098 176.870 -0.059 0.000 1.103 2051 L CA 0.977 55.778 54.840 -0.064 0.000 0.769 2051 L CB -0.393 41.628 42.059 -0.062 0.000 0.908 2051 L HN 0.622 nan 8.230 nan 0.000 0.438 2052 G N -0.817 107.959 108.800 -0.041 0.000 2.396 2052 G HA2 -0.402 3.558 3.960 0.000 0.000 0.242 2052 G HA3 -0.402 3.558 3.960 0.000 0.000 0.242 2052 G C 0.955 175.840 174.900 -0.025 0.000 1.069 2052 G CA 0.472 45.556 45.100 -0.028 0.000 0.633 2052 G HN 0.506 nan 8.290 nan 0.000 0.517 2053 A N 0.287 123.087 122.820 -0.035 0.000 2.387 2053 A HA 0.620 4.940 4.320 0.000 0.000 0.234 2053 A C 2.332 179.901 177.584 -0.024 0.000 1.253 2053 A CA 1.616 53.636 52.037 -0.027 0.000 0.894 2053 A CB -0.410 18.570 19.000 -0.034 0.000 0.963 2053 A HN 2.492 nan 8.150 nan 0.000 0.508 2054 G N -2.299 106.483 108.800 -0.029 0.000 2.143 2054 G HA2 0.242 4.202 3.960 0.000 0.000 0.249 2054 G HA3 0.242 4.202 3.960 0.000 0.000 0.249 2054 G C 0.991 175.874 174.900 -0.028 0.000 0.981 2054 G CA 0.522 45.606 45.100 -0.027 0.000 0.665 2054 G HN 2.219 nan 8.290 nan 0.000 0.528 2055 G N -1.593 107.187 108.800 -0.034 0.000 2.345 2055 G HA2 0.477 4.437 3.960 0.000 0.000 0.285 2055 G HA3 0.477 4.437 3.960 0.000 0.000 0.285 2055 G C -0.897 173.982 174.900 -0.035 0.000 1.297 2055 G CA -0.486 44.594 45.100 -0.034 0.000 0.875 2055 G HN 0.928 nan 8.290 nan 0.000 0.506 2056 L N 2.247 123.452 121.223 -0.030 0.000 2.276 2056 L HA 0.411 4.751 4.340 0.000 0.000 0.286 2056 L C -1.868 174.991 176.870 -0.020 0.000 1.061 2056 L CA -1.762 53.062 54.840 -0.027 0.000 0.807 2056 L CB 1.503 43.548 42.059 -0.025 0.000 1.177 2056 L HN 0.298 nan 8.230 nan 0.000 0.429 2057 P HA 0.056 nan 4.420 nan 0.000 0.271 2057 P C -0.655 176.645 177.300 0.000 0.000 1.220 2057 P CA -0.267 62.828 63.100 -0.008 0.000 0.768 2057 P CB 0.711 32.407 31.700 -0.008 0.000 0.848 2058 M N 2.182 121.783 119.600 0.002 0.000 2.233 2058 M HA 0.245 4.725 4.480 0.000 0.000 0.350 2058 M C 1.642 177.951 176.300 0.015 0.000 1.176 2058 M CA 0.553 55.856 55.300 0.004 0.000 1.150 2058 M CB -0.524 32.077 32.600 0.002 0.000 1.530 2058 M HN 0.831 nan 8.290 nan 0.000 0.459 2059 G N 2.391 111.201 108.800 0.016 0.000 2.179 2059 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 2059 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 2059 G C 0.351 175.278 174.900 0.044 0.000 0.977 2059 G CA -0.112 45.003 45.100 0.025 0.000 0.641 2059 G HN 0.548 nan 8.290 nan 0.000 0.533 2060 R N -0.706 119.822 120.500 0.047 0.000 2.893 2060 R HA 0.808 5.148 4.340 0.000 0.000 0.245 2060 R C -0.255 176.095 176.300 0.084 0.000 1.192 2060 R CA -0.948 55.194 56.100 0.071 0.000 1.077 2060 R CB 0.526 30.858 30.300 0.054 0.000 1.253 2060 R HN 0.182 nan 8.270 nan 0.000 0.505 2061 I N 0.207 120.850 120.570 0.121 0.000 2.441 2061 I HA 0.336 4.506 4.170 0.000 0.000 0.295 2061 I C -0.287 175.909 176.117 0.131 0.000 0.994 2061 I CA -0.679 60.720 61.300 0.165 0.000 1.144 2061 I CB 1.852 39.996 38.000 0.241 0.000 1.314 2061 I HN 0.047 nan 8.210 nan 0.000 0.445 2062 V N 4.818 124.812 119.914 0.133 0.000 2.540 2062 V HA 0.431 4.551 4.120 0.000 0.000 0.302 2062 V C -0.325 175.847 176.094 0.130 0.000 1.035 2062 V CA -0.738 61.613 62.300 0.084 0.000 0.873 2062 V CB 1.831 33.670 31.823 0.026 0.000 0.992 2062 V HN 0.756 nan 8.190 nan 0.000 0.428 2063 E N 4.255 124.509 120.200 0.090 0.000 2.151 2063 E HA 0.618 4.968 4.350 0.000 0.000 0.275 2063 E C -1.387 175.222 176.600 0.015 0.000 0.936 2063 E CA -0.575 55.891 56.400 0.110 0.000 0.777 2063 E CB 1.403 31.175 29.700 0.120 0.000 1.108 2063 E HN 0.635 nan 8.360 nan 0.000 0.401 2064 I N 5.760 126.351 120.570 0.035 0.000 2.389 2064 I HA 0.295 4.465 4.170 0.000 0.000 0.288 2064 I C -0.883 175.269 176.117 0.057 0.000 0.999 2064 I CA -0.972 60.304 61.300 -0.041 0.000 1.129 2064 I CB 0.620 38.617 38.000 -0.005 0.000 1.288 2064 I HN 0.476 nan 8.210 nan 0.000 0.444 2065 Y N 4.218 124.548 120.300 0.049 0.000 2.602 2065 Y HA 1.010 5.560 4.550 0.000 0.000 0.342 2065 Y C -0.114 175.839 175.900 0.089 0.000 1.029 2065 Y CA -1.657 56.481 58.100 0.063 0.000 1.080 2065 Y CB 1.713 40.191 38.460 0.031 0.000 1.284 2065 Y HN 0.673 nan 8.280 nan 0.000 0.485 2066 G N 0.462 109.531 108.800 0.449 0.000 2.316 2066 G HA2 0.418 4.378 3.960 0.000 0.000 0.296 2066 G HA3 0.418 4.378 3.960 0.000 0.000 0.296 2066 G C -3.562 171.557 174.900 0.364 0.000 1.399 2066 G CA -1.357 43.948 45.100 0.342 0.000 0.833 2066 G HN 0.496 nan 8.290 nan 0.000 0.565 2067 P HA 0.250 nan 4.420 nan 0.000 0.269 2067 P C -0.158 177.001 177.300 -0.235 0.000 1.217 2067 P CA -0.036 63.079 63.100 0.025 0.000 0.783 2067 P CB 0.238 31.938 31.700 -0.001 0.000 0.898 2068 E N 0.599 120.253 120.200 -0.909 0.000 2.502 2068 E HA 0.104 4.454 4.350 0.000 0.000 0.261 2068 E C 0.448 176.888 176.600 -0.266 0.000 0.974 2068 E CA 0.263 56.202 56.400 -0.768 0.000 0.936 2068 E CB -0.595 28.591 29.700 -0.857 0.000 0.926 2068 E HN 0.298 nan 8.360 nan 0.000 0.459 2069 S N 0.462 116.084 115.700 -0.130 0.000 2.981 2069 S HA -0.283 4.187 4.470 0.000 0.000 0.274 2069 S C 1.443 176.070 174.600 0.044 0.000 1.297 2069 S CA 1.180 59.360 58.200 -0.033 0.000 1.266 2069 S CB -1.780 61.391 63.200 -0.047 0.000 1.542 2069 S HN 0.783 nan 8.310 nan 0.000 0.674 2070 S N 0.532 116.255 115.700 0.037 0.000 2.359 2070 S HA 0.226 4.696 4.470 0.000 0.000 0.224 2070 S C 1.744 176.404 174.600 0.101 0.000 1.035 2070 S CA 1.601 59.843 58.200 0.071 0.000 1.018 2070 S CB -0.497 62.753 63.200 0.082 0.000 0.876 2070 S HN 2.070 nan 8.310 nan 0.000 0.448 2071 G N 0.434 109.309 108.800 0.124 0.000 2.240 2071 G HA2 -0.092 3.868 3.960 0.000 0.000 0.181 2071 G HA3 -0.092 3.868 3.960 0.000 0.000 0.181 2071 G C 0.520 175.518 174.900 0.163 0.000 1.028 2071 G CA 0.131 45.329 45.100 0.163 0.000 0.760 2071 G HN 0.431 nan 8.290 nan 0.000 0.508 2072 K N 0.065 120.554 120.400 0.148 0.000 1.987 2072 K HA -0.100 4.220 4.320 0.000 0.000 0.216 2072 K C 2.574 179.262 176.600 0.147 0.000 1.051 2072 K CA 2.175 58.546 56.287 0.140 0.000 0.942 2072 K CB -0.439 32.153 32.500 0.154 0.000 0.722 2072 K HN 0.239 nan 8.250 nan 0.000 0.444 2073 T N 0.953 115.609 114.554 0.171 0.000 2.665 2073 T HA -0.177 4.173 4.350 0.000 0.000 0.268 2073 T C 1.959 176.790 174.700 0.219 0.000 1.035 2073 T CA 2.015 64.246 62.100 0.219 0.000 1.151 2073 T CB -0.567 68.444 68.868 0.238 0.000 0.862 2073 T HN 0.333 nan 8.240 nan 0.000 0.438 2074 T N 2.567 117.250 114.554 0.215 0.000 2.570 2074 T HA -0.112 4.238 4.350 0.000 0.000 0.266 2074 T C 1.886 176.682 174.700 0.159 0.000 1.071 2074 T CA 1.325 63.554 62.100 0.214 0.000 1.172 2074 T CB -0.743 68.286 68.868 0.269 0.000 0.864 2074 T HN 0.233 nan 8.240 nan 0.000 0.421 2075 L N 0.349 121.669 121.223 0.162 0.000 2.013 2075 L HA -0.233 4.107 4.340 0.000 0.000 0.212 2075 L C 2.695 179.617 176.870 0.087 0.000 1.073 2075 L CA 1.837 56.752 54.840 0.124 0.000 0.753 2075 L CB -0.905 41.232 42.059 0.130 0.000 0.890 2075 L HN 0.342 nan 8.230 nan 0.000 0.432 2076 T N 0.464 115.078 114.554 0.100 0.000 2.592 2076 T HA -0.306 4.044 4.350 0.000 0.000 0.267 2076 T C 1.803 176.568 174.700 0.108 0.000 1.060 2076 T CA 2.332 64.486 62.100 0.091 0.000 1.167 2076 T CB -0.404 68.537 68.868 0.120 0.000 0.863 2076 T HN 0.309 nan 8.240 nan 0.000 0.431 2077 L N 0.764 122.073 121.223 0.143 0.000 2.131 2077 L HA -0.113 4.227 4.340 0.000 0.000 0.210 2077 L C 2.966 179.855 176.870 0.031 0.000 1.092 2077 L CA 1.144 56.043 54.840 0.097 0.000 0.759 2077 L CB -0.486 41.602 42.059 0.048 0.000 0.903 2077 L HN 0.247 nan 8.230 nan 0.000 0.435 2078 Q N -0.411 119.405 119.800 0.027 0.000 2.224 2078 Q HA -0.136 4.204 4.340 0.000 0.000 0.203 2078 Q C 2.392 178.385 176.000 -0.012 0.000 0.970 2078 Q CA 1.808 57.610 55.803 -0.002 0.000 0.865 2078 Q CB -0.230 28.515 28.738 0.012 0.000 0.922 2078 Q HN 0.632 nan 8.270 nan 0.000 0.445 2079 V N -2.497 117.418 119.914 0.002 0.000 2.788 2079 V HA -0.073 4.047 4.120 0.000 0.000 0.251 2079 V C 1.986 178.073 176.094 -0.012 0.000 1.068 2079 V CA 0.759 63.053 62.300 -0.010 0.000 1.090 2079 V CB -0.457 31.361 31.823 -0.008 0.000 0.710 2079 V HN 0.136 nan 8.190 nan 0.000 0.467 2080 I N 1.134 121.707 120.570 0.005 0.000 2.163 2080 I HA -0.103 4.067 4.170 0.000 0.000 0.240 2080 I C 3.027 179.134 176.117 -0.016 0.000 1.081 2080 I CA 1.555 62.860 61.300 0.009 0.000 1.353 2080 I CB -0.749 37.281 38.000 0.051 0.000 1.054 2080 I HN 0.407 nan 8.210 nan 0.000 0.407 2081 A N 1.041 123.844 122.820 -0.029 0.000 1.869 2081 A HA -0.272 4.048 4.320 0.000 0.000 0.218 2081 A C 2.408 179.952 177.584 -0.067 0.000 1.203 2081 A CA 2.367 54.372 52.037 -0.053 0.000 0.638 2081 A CB -1.042 17.918 19.000 -0.068 0.000 0.831 2081 A HN 0.465 nan 8.150 nan 0.000 0.450 2082 A N -1.210 121.564 122.820 -0.078 0.000 2.209 2082 A HA 0.394 4.714 4.320 0.000 0.000 0.212 2082 A C 2.148 179.692 177.584 -0.068 0.000 1.158 2082 A CA 1.544 53.522 52.037 -0.098 0.000 0.742 2082 A CB -0.604 18.323 19.000 -0.122 0.000 0.790 2082 A HN 0.987 nan 8.150 nan 0.000 0.472 2083 A N -0.876 121.916 122.820 -0.047 0.000 1.943 2083 A HA 0.002 4.322 4.320 0.000 0.000 0.213 2083 A C 1.971 179.535 177.584 -0.034 0.000 1.181 2083 A CA 0.988 53.004 52.037 -0.036 0.000 0.653 2083 A CB -0.278 18.707 19.000 -0.025 0.000 0.833 2083 A HN 0.522 nan 8.150 nan 0.000 0.451 2084 Q N -0.965 118.815 119.800 -0.034 0.000 2.369 2084 Q HA -0.038 4.302 4.340 0.000 0.000 0.206 2084 Q C 1.983 177.958 176.000 -0.041 0.000 0.963 2084 Q CA 0.805 56.588 55.803 -0.033 0.000 0.894 2084 Q CB -0.011 28.709 28.738 -0.030 0.000 0.965 2084 Q HN 0.498 nan 8.270 nan 0.000 0.475 2085 R N 0.731 121.199 120.500 -0.053 0.000 2.236 2085 R HA -0.046 4.295 4.340 0.000 0.000 0.208 2085 R C 0.639 176.906 176.300 -0.055 0.000 1.036 2085 R CA 0.866 56.928 56.100 -0.063 0.000 1.001 2085 R CB 0.388 30.634 30.300 -0.090 0.000 0.896 2085 R HN 0.164 nan 8.270 nan 0.000 0.464 2086 E N -1.482 118.690 120.200 -0.047 0.000 2.624 2086 E HA 0.193 4.543 4.350 0.000 0.000 0.210 2086 E C -0.059 176.524 176.600 -0.029 0.000 0.997 2086 E CA 0.266 56.643 56.400 -0.038 0.000 0.999 2086 E CB 1.245 30.922 29.700 -0.037 0.000 1.040 2086 E HN 0.376 nan 8.360 nan 0.000 0.469 2087 G N 2.476 111.260 108.800 -0.028 0.000 2.225 2087 G HA2 -0.305 3.655 3.960 0.000 0.000 0.264 2087 G HA3 -0.305 3.655 3.960 0.000 0.000 0.264 2087 G C -0.142 174.747 174.900 -0.018 0.000 1.060 2087 G CA 0.333 45.420 45.100 -0.022 0.000 0.833 2087 G HN 0.105 nan 8.290 nan 0.000 0.498 2088 K N 0.152 120.540 120.400 -0.019 0.000 2.208 2088 K HA 0.613 4.933 4.320 0.000 0.000 0.247 2088 K C 0.144 176.736 176.600 -0.013 0.000 0.953 2088 K CA -0.511 55.767 56.287 -0.016 0.000 0.837 2088 K CB 1.427 33.917 32.500 -0.017 0.000 1.131 2088 K HN 0.166 nan 8.250 nan 0.000 0.431 2089 T N 0.313 114.861 114.554 -0.010 0.000 2.837 2089 T HA 0.366 4.716 4.350 0.000 0.000 0.285 2089 T C -0.153 174.543 174.700 -0.006 0.000 0.984 2089 T CA -0.703 61.392 62.100 -0.007 0.000 1.049 2089 T CB 0.335 69.200 68.868 -0.005 0.000 0.947 2089 T HN 0.508 nan 8.240 nan 0.000 0.472 2090 C N 2.198 121.499 119.300 0.002 0.000 2.456 2090 C HA 0.939 5.399 4.460 0.000 0.000 0.325 2090 C C 0.531 175.536 174.990 0.024 0.000 1.217 2090 C CA -0.937 58.087 59.018 0.010 0.000 1.687 2090 C CB 0.588 28.343 27.740 0.025 0.000 2.270 2090 C HN 1.120 nan 8.230 nan 0.000 0.499 2091 A N 1.739 124.568 122.820 0.015 0.000 2.365 2091 A HA 0.887 5.207 4.320 0.000 0.000 0.318 2091 A C -1.360 176.252 177.584 0.046 0.000 1.091 2091 A CA -0.284 51.770 52.037 0.029 0.000 0.763 2091 A CB 0.972 19.965 19.000 -0.011 0.000 1.248 2091 A HN 0.833 nan 8.150 nan 0.000 0.442 2092 F N 2.736 122.643 119.950 -0.072 0.000 2.529 2092 F HA 0.591 5.118 4.527 0.000 0.000 0.320 2092 F C -0.734 175.008 175.800 -0.097 0.000 1.118 2092 F CA -0.832 57.118 58.000 -0.083 0.000 0.915 2092 F CB 1.623 40.585 39.000 -0.064 0.000 1.161 2092 F HN 0.374 nan 8.300 nan 0.000 0.445 2093 I N 4.608 125.034 120.570 -0.240 0.000 2.442 2093 I HA 0.131 4.301 4.170 0.000 0.000 0.279 2093 I C -0.182 175.889 176.117 -0.077 0.000 1.081 2093 I CA -0.424 60.798 61.300 -0.131 0.000 1.197 2093 I CB 0.404 38.276 38.000 -0.214 0.000 1.394 2093 I HN 0.517 nan 8.210 nan 0.000 0.488 2094 D N 4.827 125.338 120.400 0.186 0.000 2.767 2094 D HA 0.242 4.882 4.640 0.000 0.000 0.231 2094 D C 1.431 177.649 176.300 -0.137 0.000 1.105 2094 D CA 0.086 54.195 54.000 0.181 0.000 1.024 2094 D CB 0.644 41.522 40.800 0.130 0.000 1.123 2094 D HN 0.588 nan 8.370 nan 0.000 0.470 2095 A N 1.787 124.543 122.820 -0.108 0.000 2.070 2095 A HA -0.154 4.166 4.320 0.000 0.000 0.220 2095 A C 1.986 179.574 177.584 0.006 0.000 1.159 2095 A CA 0.912 52.892 52.037 -0.094 0.000 0.656 2095 A CB -0.284 18.698 19.000 -0.031 0.000 0.800 2095 A HN 0.515 nan 8.150 nan 0.000 0.453 2096 E N -1.095 119.095 120.200 -0.016 0.000 2.274 2096 E HA -0.131 4.219 4.350 0.000 0.000 0.194 2096 E C -0.430 176.260 176.600 0.149 0.000 0.996 2096 E CA 0.227 56.619 56.400 -0.013 0.000 0.840 2096 E CB -0.139 29.527 29.700 -0.057 0.000 0.772 2096 E HN 0.688 nan 8.360 nan 0.000 0.491 2097 H N -1.953 117.149 119.070 0.055 0.000 2.748 2097 H HA -0.199 4.357 4.556 0.000 0.000 0.322 2097 H C -0.359 174.997 175.328 0.048 0.000 1.208 2097 H CA 0.682 56.765 56.048 0.059 0.000 1.151 2097 H CB -1.477 28.327 29.762 0.069 0.000 1.505 2097 H HN 0.264 nan 8.280 nan 0.000 0.429 2098 A N 0.660 123.540 122.820 0.099 0.000 2.683 2098 A HA 0.259 4.579 4.320 0.000 0.000 0.207 2098 A C -0.142 177.459 177.584 0.030 0.000 0.945 2098 A CA -0.497 51.579 52.037 0.066 0.000 1.233 2098 A CB 0.425 19.464 19.000 0.066 0.000 1.227 2098 A HN 0.135 nan 8.150 nan 0.000 0.470 2099 L N 0.917 122.134 121.223 -0.011 0.000 2.290 2099 L HA 0.579 4.919 4.340 0.000 0.000 0.284 2099 L C -0.527 176.302 176.870 -0.068 0.000 1.078 2099 L CA -0.025 54.759 54.840 -0.094 0.000 0.815 2099 L CB 0.945 42.808 42.059 -0.326 0.000 1.162 2099 L HN 0.233 nan 8.230 nan 0.000 0.435 2100 D N 7.309 127.697 120.400 -0.020 0.000 2.347 2100 D HA 0.242 4.882 4.640 0.000 0.000 0.235 2100 D C -1.819 174.484 176.300 0.005 0.000 1.149 2100 D CA -2.118 51.891 54.000 0.015 0.000 0.850 2100 D CB 1.617 42.452 40.800 0.057 0.000 1.061 2100 D HN 0.357 nan 8.370 nan 0.000 0.487 2101 P HA -0.194 nan 4.420 nan 0.000 0.212 2101 P C 1.744 179.041 177.300 -0.006 0.000 1.178 2101 P CA 0.892 63.967 63.100 -0.041 0.000 0.915 2101 P CB 0.349 32.029 31.700 -0.033 0.000 0.788 2102 I N -1.778 118.805 120.570 0.022 0.000 2.185 2102 I HA -0.288 3.882 4.170 0.000 0.000 0.246 2102 I C 2.738 178.907 176.117 0.087 0.000 1.088 2102 I CA 1.728 63.053 61.300 0.043 0.000 1.347 2102 I CB -1.323 36.704 38.000 0.046 0.000 1.041 2102 I HN -0.106 nan 8.210 nan 0.000 0.415 2103 Y N 1.241 121.526 120.300 -0.026 0.000 2.133 2103 Y HA -0.225 4.325 4.550 0.000 0.000 0.287 2103 Y C 2.526 178.413 175.900 -0.021 0.000 1.134 2103 Y CA 1.163 59.255 58.100 -0.012 0.000 1.133 2103 Y CB -0.848 37.607 38.460 -0.008 0.000 0.987 2103 Y HN 0.131 nan 8.280 nan 0.000 0.502 2104 A N 0.688 123.487 122.820 -0.035 0.000 1.940 2104 A HA -0.323 3.997 4.320 0.000 0.000 0.221 2104 A C 2.458 179.952 177.584 -0.149 0.000 1.190 2104 A CA 2.274 54.228 52.037 -0.138 0.000 0.647 2104 A CB -0.940 17.981 19.000 -0.131 0.000 0.821 2104 A HN 0.533 nan 8.150 nan 0.000 0.457 2105 R N -0.258 120.186 120.500 -0.094 0.000 2.073 2105 R HA -0.126 4.214 4.340 0.000 0.000 0.234 2105 R C 1.926 178.167 176.300 -0.098 0.000 1.134 2105 R CA 1.832 57.886 56.100 -0.077 0.000 0.952 2105 R CB -0.261 30.015 30.300 -0.040 0.000 0.850 2105 R HN 0.547 nan 8.270 nan 0.000 0.433 2106 K N 0.262 120.592 120.400 -0.117 0.000 2.442 2106 K HA -0.044 4.276 4.320 0.000 0.000 0.198 2106 K C 1.517 178.001 176.600 -0.195 0.000 1.042 2106 K CA 0.585 56.801 56.287 -0.119 0.000 0.958 2106 K CB 0.119 32.593 32.500 -0.044 0.000 0.766 2106 K HN 0.274 nan 8.250 nan 0.000 0.474 2107 L N -0.569 120.491 121.223 -0.270 0.000 2.607 2107 L HA 0.140 4.480 4.340 0.000 0.000 0.228 2107 L C 0.908 177.700 176.870 -0.131 0.000 1.123 2107 L CA 0.196 54.896 54.840 -0.233 0.000 0.890 2107 L CB 0.236 42.111 42.059 -0.306 0.000 1.103 2107 L HN 0.374 nan 8.230 nan 0.000 0.468 2108 G N 0.508 109.243 108.800 -0.109 0.000 2.132 2108 G HA2 -0.225 3.735 3.960 0.000 0.000 0.234 2108 G HA3 -0.225 3.735 3.960 0.000 0.000 0.234 2108 G C 0.081 174.936 174.900 -0.075 0.000 0.989 2108 G CA -0.078 44.973 45.100 -0.081 0.000 0.676 2108 G HN 0.092 nan 8.290 nan 0.000 0.522 2109 V N 0.613 120.479 119.914 -0.080 0.000 2.546 2109 V HA 0.425 4.545 4.120 0.000 0.000 0.284 2109 V C 0.435 176.496 176.094 -0.056 0.000 1.050 2109 V CA -0.444 61.818 62.300 -0.065 0.000 0.981 2109 V CB 1.741 33.521 31.823 -0.072 0.000 0.990 2109 V HN 0.267 nan 8.190 nan 0.000 0.474 2110 D N 3.853 124.227 120.400 -0.043 0.000 2.435 2110 D HA 0.205 4.845 4.640 0.000 0.000 0.230 2110 D C 1.118 177.397 176.300 -0.035 0.000 1.215 2110 D CA -0.276 53.702 54.000 -0.037 0.000 0.947 2110 D CB 0.510 41.292 40.800 -0.030 0.000 1.048 2110 D HN 0.280 nan 8.370 nan 0.000 0.512 2111 I N 2.125 122.671 120.570 -0.040 0.000 2.208 2111 I HA -0.232 3.938 4.170 0.000 0.000 0.245 2111 I C 1.547 177.646 176.117 -0.031 0.000 1.097 2111 I CA 1.132 62.407 61.300 -0.043 0.000 1.363 2111 I CB -0.590 37.386 38.000 -0.041 0.000 1.051 2111 I HN 0.355 nan 8.210 nan 0.000 0.413 2112 D N 0.547 120.932 120.400 -0.024 0.000 2.219 2112 D HA -0.129 4.511 4.640 0.000 0.000 0.205 2112 D C 1.621 177.913 176.300 -0.014 0.000 0.970 2112 D CA 0.896 54.886 54.000 -0.017 0.000 0.851 2112 D CB -0.186 40.605 40.800 -0.015 0.000 0.943 2112 D HN 0.299 nan 8.370 nan 0.000 0.488 2113 N N -0.059 118.632 118.700 -0.015 0.000 2.205 2113 N HA 0.035 4.775 4.740 0.000 0.000 0.201 2113 N C -0.104 175.403 175.510 -0.007 0.000 1.128 2113 N CA -0.144 52.899 53.050 -0.011 0.000 0.867 2113 N CB 0.861 39.340 38.487 -0.013 0.000 0.996 2113 N HN 0.140 nan 8.380 nan 0.000 0.503 2114 L N 2.193 123.411 121.223 -0.009 0.000 2.265 2114 L HA 0.371 4.711 4.340 0.000 0.000 0.288 2114 L C -0.365 176.511 176.870 0.010 0.000 1.058 2114 L CA -0.215 54.626 54.840 0.002 0.000 0.809 2114 L CB 0.417 42.471 42.059 -0.009 0.000 1.179 2114 L HN -0.049 nan 8.230 nan 0.000 0.429 2115 L N 5.300 126.538 121.223 0.025 0.000 2.416 2115 L HA 0.180 4.520 4.340 0.000 0.000 0.272 2115 L C -0.152 176.753 176.870 0.058 0.000 1.161 2115 L CA 0.042 54.901 54.840 0.031 0.000 0.845 2115 L CB 1.226 43.301 42.059 0.026 0.000 1.119 2115 L HN 0.757 nan 8.230 nan 0.000 0.464 2116 C N 3.472 122.799 119.300 0.045 0.000 2.481 2116 C HA 0.620 5.080 4.460 0.000 0.000 0.324 2116 C C -0.186 174.828 174.990 0.040 0.000 1.170 2116 C CA -0.458 58.597 59.018 0.063 0.000 1.361 2116 C CB 1.380 29.123 27.740 0.005 0.000 1.977 2116 C HN 0.806 nan 8.230 nan 0.000 0.459 2117 S N 4.279 120.007 115.700 0.047 0.000 2.532 2117 S HA 0.542 5.012 4.470 0.000 0.000 0.299 2117 S C -0.911 173.661 174.600 -0.046 0.000 1.105 2117 S CA -0.274 57.924 58.200 -0.004 0.000 1.018 2117 S CB 1.234 64.417 63.200 -0.029 0.000 1.021 2117 S HN 0.868 nan 8.310 nan 0.000 0.483 2118 Q N 4.813 124.569 119.800 -0.074 0.000 2.636 2118 Q HA 0.325 4.665 4.340 0.000 0.000 0.233 2118 Q C -2.342 173.614 176.000 -0.074 0.000 1.143 2118 Q CA -1.966 53.717 55.803 -0.200 0.000 0.969 2118 Q CB 1.163 29.812 28.738 -0.148 0.000 1.185 2118 Q HN 0.539 nan 8.270 nan 0.000 0.546 2119 P HA 0.030 nan 4.420 nan 0.000 0.275 2119 P C -0.276 177.062 177.300 0.062 0.000 1.228 2119 P CA -0.146 62.921 63.100 -0.054 0.000 0.786 2119 P CB 1.454 33.079 31.700 -0.125 0.000 0.927 2120 D N 0.231 120.651 120.400 0.034 0.000 2.085 2120 D HA -0.050 4.590 4.640 0.000 0.000 0.199 2120 D C 0.999 177.326 176.300 0.045 0.000 0.981 2120 D CA 1.702 55.743 54.000 0.068 0.000 0.834 2120 D CB -0.486 40.339 40.800 0.041 0.000 0.992 2120 D HN 0.497 nan 8.370 nan 0.000 0.457 2121 T N -2.535 112.010 114.554 -0.015 0.000 2.929 2121 T HA 0.505 4.855 4.350 0.000 0.000 0.284 2121 T C 1.363 176.038 174.700 -0.041 0.000 1.014 2121 T CA -0.353 61.734 62.100 -0.020 0.000 1.051 2121 T CB 2.026 70.877 68.868 -0.028 0.000 1.028 2121 T HN 0.005 nan 8.240 nan 0.000 0.485 2122 G N 0.964 109.754 108.800 -0.017 0.000 2.418 2122 G HA2 -0.115 3.845 3.960 0.000 0.000 0.217 2122 G HA3 -0.115 3.845 3.960 0.000 0.000 0.217 2122 G C 1.141 176.019 174.900 -0.036 0.000 1.158 2122 G CA 0.712 45.803 45.100 -0.015 0.000 0.771 2122 G HN 0.815 nan 8.290 nan 0.000 0.545 2123 E N 0.093 120.271 120.200 -0.036 0.000 2.048 2123 E HA -0.218 4.132 4.350 0.000 0.000 0.202 2123 E C 2.410 178.960 176.600 -0.083 0.000 1.021 2123 E CA 1.621 58.002 56.400 -0.031 0.000 0.825 2123 E CB -0.342 29.353 29.700 -0.007 0.000 0.756 2123 E HN 0.609 nan 8.360 nan 0.000 0.454 2124 Q N 0.068 119.758 119.800 -0.183 0.000 2.029 2124 Q HA -0.319 4.021 4.340 0.000 0.000 0.209 2124 Q C 2.179 177.962 176.000 -0.361 0.000 0.999 2124 Q CA 2.158 57.661 55.803 -0.501 0.000 0.857 2124 Q CB -0.344 28.044 28.738 -0.583 0.000 0.926 2124 Q HN 0.328 nan 8.270 nan 0.000 0.415 2125 A N 0.306 122.999 122.820 -0.211 0.000 1.903 2125 A HA -0.236 4.084 4.320 0.000 0.000 0.219 2125 A C 2.047 179.573 177.584 -0.098 0.000 1.191 2125 A CA 1.949 53.902 52.037 -0.139 0.000 0.638 2125 A CB -0.849 18.105 19.000 -0.077 0.000 0.823 2125 A HN 0.477 nan 8.150 nan 0.000 0.451 2126 L N -1.428 119.763 121.223 -0.053 0.000 2.095 2126 L HA -0.074 4.266 4.340 0.000 0.000 0.204 2126 L C 2.615 179.485 176.870 0.000 0.000 1.080 2126 L CA 1.047 55.886 54.840 -0.003 0.000 0.759 2126 L CB -0.506 41.571 42.059 0.031 0.000 0.914 2126 L HN 0.279 nan 8.230 nan 0.000 0.439 2127 E N 0.516 120.718 120.200 0.004 0.000 2.171 2127 E HA -0.231 4.119 4.350 0.000 0.000 0.197 2127 E C 2.195 178.840 176.600 0.076 0.000 0.997 2127 E CA 1.387 57.831 56.400 0.074 0.000 0.810 2127 E CB -0.139 29.671 29.700 0.184 0.000 0.738 2127 E HN 0.511 nan 8.360 nan 0.000 0.467 2128 I N -0.282 120.288 120.570 -0.001 0.000 2.202 2128 I HA -0.307 3.864 4.170 0.000 0.000 0.242 2128 I C 2.633 178.748 176.117 -0.004 0.000 1.091 2128 I CA 0.609 61.914 61.300 0.007 0.000 1.368 2128 I CB -0.303 37.660 38.000 -0.063 0.000 1.058 2128 I HN 0.126 nan 8.210 nan 0.000 0.410 2129 C N 0.518 119.799 119.300 -0.031 0.000 2.413 2129 C HA -0.233 4.227 4.460 0.000 0.000 0.276 2129 C C 2.585 177.570 174.990 -0.009 0.000 1.236 2129 C CA 1.385 60.378 59.018 -0.042 0.000 1.735 2129 C CB -0.988 26.720 27.740 -0.052 0.000 2.031 2129 C HN 0.544 nan 8.230 nan 0.000 0.474 2130 D N 0.436 120.844 120.400 0.015 0.000 2.106 2130 D HA -0.125 4.516 4.640 0.000 0.000 0.191 2130 D C 2.183 178.498 176.300 0.025 0.000 0.997 2130 D CA 1.937 55.952 54.000 0.024 0.000 0.834 2130 D CB -0.246 40.578 40.800 0.040 0.000 0.956 2130 D HN 0.419 nan 8.370 nan 0.000 0.448 2131 A N -0.307 122.538 122.820 0.041 0.000 2.015 2131 A HA -0.053 4.267 4.320 0.000 0.000 0.219 2131 A C 2.365 179.964 177.584 0.026 0.000 1.163 2131 A CA 0.832 52.895 52.037 0.043 0.000 0.646 2131 A CB -0.582 18.460 19.000 0.071 0.000 0.806 2131 A HN 0.350 nan 8.150 nan 0.000 0.448 2132 L N -1.238 119.994 121.223 0.015 0.000 2.179 2132 L HA -0.072 4.268 4.340 0.000 0.000 0.208 2132 L C 3.021 179.888 176.870 -0.005 0.000 1.096 2132 L CA 0.771 55.612 54.840 0.002 0.000 0.779 2132 L CB -0.509 41.543 42.059 -0.012 0.000 0.922 2132 L HN 0.423 nan 8.230 nan 0.000 0.443 2133 A N 0.194 123.009 122.820 -0.007 0.000 1.841 2133 A HA -0.177 4.143 4.320 0.000 0.000 0.214 2133 A C 2.376 179.957 177.584 -0.005 0.000 1.195 2133 A CA 1.177 53.208 52.037 -0.011 0.000 0.611 2133 A CB -0.531 18.462 19.000 -0.013 0.000 0.835 2133 A HN 0.216 nan 8.150 nan 0.000 0.443 2134 R N 0.233 120.734 120.500 0.002 0.000 2.154 2134 R HA -0.174 4.166 4.340 0.000 0.000 0.248 2134 R C 2.555 178.860 176.300 0.008 0.000 1.155 2134 R CA 1.815 57.918 56.100 0.006 0.000 0.979 2134 R CB -0.394 29.914 30.300 0.013 0.000 0.869 2134 R HN 0.760 nan 8.270 nan 0.000 0.452 2135 S N -1.147 114.558 115.700 0.008 0.000 2.406 2135 S HA -0.036 4.434 4.470 0.000 0.000 0.228 2135 S C 1.612 176.216 174.600 0.005 0.000 1.020 2135 S CA 0.967 59.172 58.200 0.008 0.000 0.965 2135 S CB -0.016 63.190 63.200 0.009 0.000 0.798 2135 S HN 0.521 nan 8.310 nan 0.000 0.488 2136 G N 0.767 109.569 108.800 0.002 0.000 2.166 2136 G HA2 -0.233 3.727 3.960 0.000 0.000 0.260 2136 G HA3 -0.233 3.727 3.960 0.000 0.000 0.260 2136 G C 0.842 175.742 174.900 -0.000 0.000 0.986 2136 G CA 0.420 45.520 45.100 0.000 0.000 0.683 2136 G HN 1.280 nan 8.290 nan 0.000 0.527 2137 A N -1.077 121.743 122.820 0.000 0.000 1.984 2137 A HA 0.610 4.930 4.320 0.000 0.000 0.214 2137 A C 1.279 178.861 177.584 -0.003 0.000 1.173 2137 A CA 1.431 53.468 52.037 -0.000 0.000 0.673 2137 A CB 0.316 19.318 19.000 0.003 0.000 0.830 2137 A HN 1.024 nan 8.150 nan 0.000 0.453 2138 V N 1.129 121.039 119.914 -0.006 0.000 2.509 2138 V HA 0.175 4.295 4.120 0.000 0.000 0.284 2138 V C 0.406 176.491 176.094 -0.014 0.000 1.047 2138 V CA -0.340 61.953 62.300 -0.011 0.000 0.952 2138 V CB 1.415 33.228 31.823 -0.017 0.000 0.988 2138 V HN 0.370 nan 8.190 nan 0.000 0.469 2139 D N 1.763 122.154 120.400 -0.015 0.000 2.262 2139 D HA 0.079 4.719 4.640 0.000 0.000 0.212 2139 D C 0.234 176.520 176.300 -0.023 0.000 0.964 2139 D CA 1.106 55.097 54.000 -0.016 0.000 0.875 2139 D CB 1.217 42.009 40.800 -0.013 0.000 0.996 2139 D HN 0.344 nan 8.370 nan 0.000 0.497 2140 V N 1.473 121.369 119.914 -0.029 0.000 2.567 2140 V HA 0.371 4.491 4.120 0.000 0.000 0.298 2140 V C -1.328 174.727 176.094 -0.064 0.000 1.047 2140 V CA -0.682 61.592 62.300 -0.044 0.000 0.880 2140 V CB 1.400 33.201 31.823 -0.037 0.000 1.009 2140 V HN -0.126 nan 8.190 nan 0.000 0.429 2141 I N 6.623 127.131 120.570 -0.103 0.000 2.437 2141 I HA 0.638 4.808 4.170 0.000 0.000 0.298 2141 I C -0.349 175.617 176.117 -0.252 0.000 0.984 2141 I CA -0.869 60.336 61.300 -0.159 0.000 1.214 2141 I CB 1.885 39.782 38.000 -0.173 0.000 1.365 2141 I HN 0.456 nan 8.210 nan 0.000 0.469 2142 V N 6.943 126.655 119.914 -0.337 0.000 2.735 2142 V HA 0.570 4.690 4.120 0.000 0.000 0.310 2142 V C -0.873 174.817 176.094 -0.673 0.000 1.061 2142 V CA -0.474 61.534 62.300 -0.487 0.000 0.913 2142 V CB 2.397 33.950 31.823 -0.449 0.000 1.005 2142 V HN 0.429 nan 8.190 nan 0.000 0.428 2143 V N 5.130 124.649 119.914 -0.657 0.000 2.349 2143 V HA 0.393 4.513 4.120 0.000 0.000 0.284 2143 V C -0.464 175.398 176.094 -0.388 0.000 1.014 2143 V CA -0.614 61.354 62.300 -0.554 0.000 0.826 2143 V CB 1.456 32.927 31.823 -0.588 0.000 1.009 2143 V HN 0.905 nan 8.190 nan 0.000 0.431 2144 D N 3.609 123.767 120.400 -0.404 0.000 2.383 2144 D HA 0.294 4.934 4.640 0.000 0.000 0.245 2144 D C 0.123 176.378 176.300 -0.074 0.000 1.263 2144 D CA 0.873 54.775 54.000 -0.163 0.000 0.936 2144 D CB 0.326 41.155 40.800 0.048 0.000 1.053 2144 D HN 0.678 nan 8.370 nan 0.000 0.507 2145 S N 1.029 116.707 115.700 -0.038 0.000 3.600 2145 S HA -0.149 4.321 4.470 0.000 0.000 0.695 2145 S C 1.193 175.802 174.600 0.016 0.000 0.535 2145 S CA 0.319 58.501 58.200 -0.030 0.000 1.453 2145 S CB -1.244 61.879 63.200 -0.127 0.000 0.928 2145 S HN 0.506 nan 8.310 nan 0.000 1.029 2146 V N 1.709 121.669 119.914 0.077 0.000 2.594 2146 V HA -0.056 4.064 4.120 0.000 0.000 0.253 2146 V C 2.262 178.380 176.094 0.040 0.000 1.069 2146 V CA 2.336 64.693 62.300 0.095 0.000 1.082 2146 V CB -0.943 30.925 31.823 0.074 0.000 0.680 2146 V HN 1.482 nan 8.190 nan 0.000 0.469 2147 A N 0.039 122.865 122.820 0.009 0.000 2.186 2147 A HA 0.286 4.606 4.320 0.000 0.000 0.219 2147 A C 2.142 179.813 177.584 0.145 0.000 1.159 2147 A CA 1.749 53.805 52.037 0.032 0.000 0.680 2147 A CB -0.680 18.299 19.000 -0.034 0.000 0.787 2147 A HN 1.274 nan 8.150 nan 0.000 0.467 2148 A N -1.460 121.426 122.820 0.110 0.000 2.508 2148 A HA 0.515 4.835 4.320 0.000 0.000 0.257 2148 A C 0.236 177.893 177.584 0.123 0.000 1.226 2148 A CA -0.291 51.855 52.037 0.182 0.000 0.947 2148 A CB 0.057 19.120 19.000 0.105 0.000 1.079 2148 A HN 0.226 nan 8.150 nan 0.000 0.531 2149 L N 2.668 123.939 121.223 0.080 0.000 2.376 2149 L HA 0.173 4.513 4.340 0.000 0.000 0.250 2149 L C 0.139 177.036 176.870 0.043 0.000 1.335 2149 L CA 0.638 55.510 54.840 0.054 0.000 1.214 2149 L CB -0.846 41.242 42.059 0.050 0.000 1.395 2149 L HN 0.141 nan 8.230 nan 0.000 0.424 2150 T N 2.295 116.882 114.554 0.054 0.000 2.814 2150 T HA 0.245 4.595 4.350 0.000 0.000 0.297 2150 T C -2.220 172.480 174.700 0.001 0.000 0.956 2150 T CA -1.167 60.953 62.100 0.034 0.000 1.123 2150 T CB 0.465 69.360 68.868 0.045 0.000 0.902 2150 T HN 0.142 nan 8.240 nan 0.000 0.528 2151 P HA 0.157 nan 4.420 nan 0.000 0.269 2151 P C 0.971 178.228 177.300 -0.070 0.000 1.215 2151 P CA -0.550 62.521 63.100 -0.049 0.000 0.780 2151 P CB 0.794 32.452 31.700 -0.070 0.000 0.898 2152 K N 2.601 122.966 120.400 -0.059 0.000 2.000 2152 K HA -0.272 4.048 4.320 0.000 0.000 0.218 2152 K C 1.917 178.460 176.600 -0.095 0.000 1.053 2152 K CA 2.251 58.507 56.287 -0.052 0.000 0.946 2152 K CB -0.896 31.586 32.500 -0.030 0.000 0.723 2152 K HN 0.464 nan 8.250 nan 0.000 0.446 2153 A N 0.968 123.704 122.820 -0.140 0.000 1.958 2153 A HA -0.301 4.019 4.320 0.000 0.000 0.221 2153 A C 2.012 179.355 177.584 -0.401 0.000 1.178 2153 A CA 2.272 54.175 52.037 -0.224 0.000 0.642 2153 A CB -0.683 18.174 19.000 -0.238 0.000 0.816 2153 A HN 0.643 nan 8.150 nan 0.000 0.453 2154 E N -0.358 119.581 120.200 -0.435 0.000 2.072 2154 E HA -0.120 4.230 4.350 0.000 0.000 0.191 2154 E C 1.895 178.443 176.600 -0.086 0.000 0.985 2154 E CA 1.108 57.282 56.400 -0.376 0.000 0.801 2154 E CB -0.183 29.426 29.700 -0.151 0.000 0.750 2154 E HN 0.704 nan 8.360 nan 0.000 0.452 2155 I N 0.639 121.172 120.570 -0.061 0.000 2.202 2155 I HA -0.229 3.941 4.170 0.000 0.000 0.242 2155 I C 2.277 178.396 176.117 0.003 0.000 1.091 2155 I CA 1.297 62.592 61.300 -0.009 0.000 1.368 2155 I CB -0.450 37.548 38.000 -0.004 0.000 1.058 2155 I HN 0.160 nan 8.210 nan 0.000 0.410 2156 E N 0.921 121.112 120.200 -0.015 0.000 2.106 2156 E HA -0.055 4.295 4.350 0.000 0.000 0.192 2156 E C 1.365 177.981 176.600 0.026 0.000 0.984 2156 E CA 0.668 57.070 56.400 0.002 0.000 0.806 2156 E CB -0.191 29.504 29.700 -0.008 0.000 0.750 2156 E HN 0.507 nan 8.360 nan 0.000 0.458 2157 G N 0.785 109.607 108.800 0.036 0.000 2.684 2157 G HA2 0.024 3.985 3.960 0.000 0.000 0.255 2157 G HA3 0.024 3.985 3.960 0.000 0.000 0.255 2157 G C -0.326 174.655 174.900 0.135 0.000 1.219 2157 G CA -0.515 44.661 45.100 0.127 0.000 0.901 2157 G HN 0.063 nan 8.290 nan 0.000 0.548 2158 E N -1.187 119.095 120.200 0.137 0.000 2.369 2158 E HA 0.213 4.563 4.350 0.000 0.000 0.255 2158 E C -0.027 176.641 176.600 0.113 0.000 1.172 2158 E CA -0.271 56.195 56.400 0.111 0.000 0.932 2158 E CB 1.253 31.010 29.700 0.096 0.000 1.040 2158 E HN 0.290 nan 8.360 nan 0.000 0.454 2159 I N 1.294 121.918 120.570 0.090 0.000 2.436 2159 I HA 0.198 4.368 4.170 0.000 0.000 0.289 2159 I C 1.129 177.269 176.117 0.039 0.000 1.083 2159 I CA 0.491 61.827 61.300 0.061 0.000 1.372 2159 I CB 0.212 38.240 38.000 0.047 0.000 1.408 2159 I HN 0.849 nan 8.210 nan 0.000 0.516 2160 G N 3.852 112.655 108.800 0.005 0.000 2.229 2160 G HA2 -0.190 3.770 3.960 0.000 0.000 0.189 2160 G HA3 -0.190 3.770 3.960 0.000 0.000 0.189 2160 G C -0.084 174.773 174.900 -0.071 0.000 1.000 2160 G CA -0.679 44.407 45.100 -0.024 0.000 0.663 2160 G HN 0.536 nan 8.290 nan 0.000 0.493 2161 D N 1.969 122.305 120.400 -0.106 0.000 2.383 2161 D HA 0.453 5.093 4.640 0.000 0.000 0.252 2161 D C 0.970 176.949 176.300 -0.536 0.000 1.166 2161 D CA 0.742 54.576 54.000 -0.276 0.000 0.879 2161 D CB 1.304 41.962 40.800 -0.237 0.000 1.164 2161 D HN 0.444 nan 8.370 nan 0.000 0.462 2162 S N 3.150 118.610 115.700 -0.400 0.000 2.423 2162 S HA 0.103 4.573 4.470 0.000 0.000 0.302 2162 S C 0.048 174.417 174.600 -0.386 0.000 1.143 2162 S CA -0.644 57.373 58.200 -0.305 0.000 1.080 2162 S CB 0.070 63.188 63.200 -0.136 0.000 1.081 2162 S HN 0.314 nan 8.310 nan 0.000 0.522 2163 H N 3.682 122.753 119.070 0.001 0.000 2.432 2163 H HA 0.248 4.804 4.556 0.000 0.000 0.226 2163 H C -0.085 175.242 175.328 -0.003 0.000 1.634 2163 H CA -0.691 55.357 56.048 -0.000 0.000 1.253 2163 H CB -0.018 29.744 29.762 -0.000 0.000 1.584 2163 H HN 0.498 nan 8.280 nan 0.000 0.545 2164 M N 0.899 120.531 119.600 0.054 0.000 2.307 2164 M HA 0.071 4.551 4.480 0.000 0.000 0.346 2164 M C 1.231 177.553 176.300 0.038 0.000 1.552 2164 M CA 0.405 55.724 55.300 0.031 0.000 1.116 2164 M CB -0.218 32.388 32.600 0.010 0.000 1.889 2164 M HN 0.856 nan 8.290 nan 0.000 0.460 2165 G N 3.990 112.809 108.800 0.032 0.000 2.341 2165 G HA2 -0.268 3.692 3.960 0.000 0.000 0.292 2165 G HA3 -0.268 3.692 3.960 0.000 0.000 0.292 2165 G C 0.856 175.768 174.900 0.021 0.000 1.021 2165 G CA 0.557 45.669 45.100 0.019 0.000 0.905 2165 G HN 0.759 nan 8.290 nan 0.000 0.508 2166 L N -0.736 120.511 121.223 0.040 0.000 2.109 2166 L HA 0.171 4.511 4.340 0.000 0.000 0.207 2166 L C 3.101 179.973 176.870 0.003 0.000 1.086 2166 L CA 1.924 56.779 54.840 0.026 0.000 0.760 2166 L CB -0.406 41.677 42.059 0.039 0.000 0.910 2166 L HN 0.459 nan 8.230 nan 0.000 0.437 2167 A N -0.009 122.816 122.820 0.008 0.000 1.873 2167 A HA -0.307 4.013 4.320 0.000 0.000 0.218 2167 A C 2.431 180.003 177.584 -0.020 0.000 1.193 2167 A CA 2.155 54.190 52.037 -0.005 0.000 0.629 2167 A CB -1.016 17.986 19.000 0.002 0.000 0.826 2167 A HN 0.533 nan 8.150 nan 0.000 0.447 2168 A N 0.469 123.278 122.820 -0.018 0.000 1.858 2168 A HA -0.186 4.134 4.320 0.000 0.000 0.216 2168 A C 2.242 179.804 177.584 -0.037 0.000 1.190 2168 A CA 1.980 54.000 52.037 -0.029 0.000 0.617 2168 A CB -0.609 18.381 19.000 -0.018 0.000 0.827 2168 A HN 0.720 nan 8.150 nan 0.000 0.443 2169 R N -0.572 119.913 120.500 -0.025 0.000 2.241 2169 R HA -0.035 4.305 4.340 0.000 0.000 0.224 2169 R C 1.977 178.257 176.300 -0.034 0.000 1.101 2169 R CA 1.619 57.703 56.100 -0.027 0.000 0.995 2169 R CB -0.477 29.814 30.300 -0.015 0.000 0.870 2169 R HN 0.566 nan 8.270 nan 0.000 0.463 2170 M N 0.136 119.715 119.600 -0.036 0.000 2.123 2170 M HA -0.070 4.410 4.480 0.000 0.000 0.263 2170 M C 1.914 178.178 176.300 -0.060 0.000 1.069 2170 M CA 1.324 56.601 55.300 -0.038 0.000 1.133 2170 M CB 0.043 32.625 32.600 -0.030 0.000 1.356 2170 M HN 0.225 nan 8.290 nan 0.000 0.415 2171 M N -0.451 119.102 119.600 -0.079 0.000 2.080 2171 M HA -0.191 4.289 4.480 0.000 0.000 0.260 2171 M C 2.416 178.611 176.300 -0.175 0.000 1.068 2171 M CA 1.727 56.946 55.300 -0.135 0.000 1.109 2171 M CB -1.364 31.147 32.600 -0.149 0.000 1.342 2171 M HN 0.359 nan 8.290 nan 0.000 0.405 2172 S N -0.377 115.243 115.700 -0.135 0.000 2.419 2172 S HA -0.174 4.296 4.470 0.000 0.000 0.233 2172 S C 1.847 176.361 174.600 -0.142 0.000 1.016 2172 S CA 1.225 59.335 58.200 -0.150 0.000 0.974 2172 S CB -0.121 63.033 63.200 -0.077 0.000 0.786 2172 S HN 0.515 nan 8.310 nan 0.000 0.492 2173 Q N -0.230 119.516 119.800 -0.090 0.000 2.137 2173 Q HA 0.047 4.387 4.340 0.000 0.000 0.198 2173 Q C 2.200 178.158 176.000 -0.070 0.000 0.960 2173 Q CA 1.027 56.802 55.803 -0.048 0.000 0.847 2173 Q CB -0.291 28.442 28.738 -0.008 0.000 0.915 2173 Q HN 0.658 nan 8.270 nan 0.000 0.448 2174 A N 0.909 123.670 122.820 -0.098 0.000 1.855 2174 A HA -0.178 4.142 4.320 0.000 0.000 0.215 2174 A C 2.036 179.528 177.584 -0.154 0.000 1.191 2174 A CA 1.321 53.308 52.037 -0.082 0.000 0.613 2174 A CB -0.449 18.518 19.000 -0.055 0.000 0.829 2174 A HN 0.331 nan 8.150 nan 0.000 0.442 2175 M N -0.664 118.732 119.600 -0.340 0.000 2.082 2175 M HA -0.194 4.286 4.480 0.000 0.000 0.258 2175 M C 2.160 178.163 176.300 -0.496 0.000 1.071 2175 M CA 1.941 56.849 55.300 -0.653 0.000 1.103 2175 M CB -1.472 30.275 32.600 -1.422 0.000 1.307 2175 M HN 0.502 nan 8.290 nan 0.000 0.409 2176 R N 0.281 120.549 120.500 -0.387 0.000 2.159 2176 R HA -0.247 4.093 4.340 0.000 0.000 0.249 2176 R C 2.246 178.580 176.300 0.056 0.000 1.136 2176 R CA 2.371 58.473 56.100 0.004 0.000 0.951 2176 R CB -0.149 30.161 30.300 0.017 0.000 0.876 2176 R HN 0.414 nan 8.270 nan 0.000 0.440 2177 K N -0.144 120.256 120.400 -0.001 0.000 2.031 2177 K HA -0.087 4.233 4.320 0.000 0.000 0.205 2177 K C 2.211 178.818 176.600 0.012 0.000 1.049 2177 K CA 1.258 57.555 56.287 0.017 0.000 0.939 2177 K CB -0.118 32.391 32.500 0.015 0.000 0.717 2177 K HN 0.173 nan 8.250 nan 0.000 0.438 2178 L N 0.650 121.876 121.223 0.004 0.000 2.027 2178 L HA -0.161 4.180 4.340 0.000 0.000 0.206 2178 L C 2.589 179.461 176.870 0.004 0.000 1.074 2178 L CA 1.051 55.900 54.840 0.015 0.000 0.745 2178 L CB -0.563 41.524 42.059 0.047 0.000 0.898 2178 L HN 0.212 nan 8.230 nan 0.000 0.433 2179 A N 0.355 123.212 122.820 0.061 0.000 1.917 2179 A HA -0.219 4.102 4.320 0.000 0.000 0.219 2179 A C 2.364 179.766 177.584 -0.303 0.000 1.182 2179 A CA 2.072 54.140 52.037 0.053 0.000 0.633 2179 A CB -1.404 17.773 19.000 0.296 0.000 0.819 2179 A HN 0.477 nan 8.150 nan 0.000 0.448 2180 G N -0.276 108.270 108.800 -0.424 0.000 2.453 2180 G HA2 -0.295 3.665 3.960 0.000 0.000 0.215 2180 G HA3 -0.295 3.665 3.960 0.000 0.000 0.215 2180 G C 1.384 176.058 174.900 -0.378 0.000 1.201 2180 G CA 1.045 45.685 45.100 -0.767 0.000 0.784 2180 G HN 0.729 nan 8.290 nan 0.000 0.545 2181 N N 0.015 118.617 118.700 -0.163 0.000 2.443 2181 N HA 0.025 4.765 4.740 0.000 0.000 0.184 2181 N C 2.107 177.573 175.510 -0.072 0.000 1.037 2181 N CA 0.138 53.140 53.050 -0.080 0.000 0.896 2181 N CB -0.057 38.410 38.487 -0.034 0.000 0.959 2181 N HN 0.270 nan 8.380 nan 0.000 0.442 2182 L N 0.422 121.589 121.223 -0.093 0.000 2.102 2182 L HA -0.057 4.283 4.340 0.000 0.000 0.202 2182 L C 2.412 179.257 176.870 -0.042 0.000 1.076 2182 L CA 0.834 55.646 54.840 -0.048 0.000 0.761 2182 L CB -0.167 41.883 42.059 -0.015 0.000 0.921 2182 L HN 0.003 nan 8.230 nan 0.000 0.444 2183 K N 0.644 120.996 120.400 -0.080 0.000 2.057 2183 K HA -0.168 4.152 4.320 0.000 0.000 0.206 2183 K C 1.954 178.568 176.600 0.024 0.000 1.050 2183 K CA 1.538 57.830 56.287 0.009 0.000 0.935 2183 K CB -0.136 32.443 32.500 0.130 0.000 0.715 2183 K HN 0.187 nan 8.250 nan 0.000 0.439 2184 Q N -0.544 119.255 119.800 -0.001 0.000 2.482 2184 Q HA 0.094 4.434 4.340 0.000 0.000 0.209 2184 Q C 0.490 176.496 176.000 0.011 0.000 0.961 2184 Q CA 0.726 56.543 55.803 0.023 0.000 0.945 2184 Q CB 0.381 29.138 28.738 0.031 0.000 1.012 2184 Q HN 0.173 nan 8.270 nan 0.000 0.515 2185 S N -0.293 115.406 115.700 -0.001 0.000 2.603 2185 S HA 0.068 4.538 4.470 0.000 0.000 0.232 2185 S C 0.204 174.804 174.600 0.001 0.000 1.016 2185 S CA -0.320 57.880 58.200 -0.001 0.000 0.976 2185 S CB 0.362 63.558 63.200 -0.007 0.000 0.921 2185 S HN 0.421 nan 8.310 nan 0.000 0.516 2186 N N 2.354 121.057 118.700 0.006 0.000 2.701 2186 N HA -0.144 4.596 4.740 0.000 0.000 0.250 2186 N C -1.046 174.465 175.510 0.000 0.000 1.046 2186 N CA 0.913 53.968 53.050 0.008 0.000 0.733 2186 N CB -1.248 37.245 38.487 0.010 0.000 0.973 2186 N HN 0.268 nan 8.380 nan 0.000 0.541 2187 T N 0.887 115.438 114.554 -0.005 0.000 2.728 2187 T HA 0.366 4.716 4.350 0.000 0.000 0.296 2187 T C 0.222 174.915 174.700 -0.012 0.000 0.940 2187 T CA -0.635 61.458 62.100 -0.013 0.000 1.013 2187 T CB 1.050 69.907 68.868 -0.018 0.000 0.912 2187 T HN 0.275 nan 8.240 nan 0.000 0.484 2188 L N 5.211 126.424 121.223 -0.017 0.000 2.319 2188 L HA 0.527 4.867 4.340 0.000 0.000 0.280 2188 L C -0.817 176.028 176.870 -0.041 0.000 1.099 2188 L CA -0.188 54.641 54.840 -0.017 0.000 0.828 2188 L CB 0.250 42.298 42.059 -0.018 0.000 1.150 2188 L HN 0.609 nan 8.230 nan 0.000 0.442 2189 L N 6.663 127.869 121.223 -0.029 0.000 2.305 2189 L HA 0.534 4.874 4.340 0.000 0.000 0.284 2189 L C -0.795 176.030 176.870 -0.076 0.000 1.013 2189 L CA -0.430 54.356 54.840 -0.090 0.000 0.819 2189 L CB 1.232 43.264 42.059 -0.045 0.000 1.227 2189 L HN 0.671 nan 8.230 nan 0.000 0.417 2190 I N 4.199 124.656 120.570 -0.188 0.000 2.377 2190 I HA 0.310 4.480 4.170 0.000 0.000 0.293 2190 I C -0.885 175.057 176.117 -0.293 0.000 0.987 2190 I CA -0.307 60.912 61.300 -0.134 0.000 1.185 2190 I CB 1.438 39.371 38.000 -0.112 0.000 1.341 2190 I HN 0.377 nan 8.210 nan 0.000 0.455 2191 F N 6.292 126.205 119.950 -0.062 0.000 2.427 2191 F HA 0.512 5.039 4.527 0.000 0.000 0.346 2191 F C 0.263 176.037 175.800 -0.043 0.000 1.120 2191 F CA -0.493 57.469 58.000 -0.064 0.000 1.033 2191 F CB 1.273 40.252 39.000 -0.035 0.000 1.126 2191 F HN 0.190 nan 8.300 nan 0.000 0.462 2192 I N 3.226 123.849 120.570 0.087 0.000 2.440 2192 I HA 0.285 4.455 4.170 0.000 0.000 0.294 2192 I C -0.234 175.955 176.117 0.119 0.000 0.995 2192 I CA -0.192 61.160 61.300 0.087 0.000 1.306 2192 I CB 1.324 39.346 38.000 0.037 0.000 1.407 2192 I HN 0.656 nan 8.210 nan 0.000 0.501 2193 N N 3.417 122.194 118.700 0.128 0.000 2.416 2193 N HA 0.386 5.126 4.740 0.000 0.000 0.276 2193 N C -1.479 174.048 175.510 0.029 0.000 1.261 2193 N CA -0.714 52.378 53.050 0.069 0.000 0.790 2193 N CB 1.933 40.469 38.487 0.080 0.000 1.554 2193 N HN 0.555 nan 8.380 nan 0.000 0.481 2194 Q N 0.768 120.454 119.800 -0.189 0.000 2.195 2194 Q HA 0.516 4.856 4.340 0.000 0.000 0.250 2194 Q C -0.575 175.207 176.000 -0.363 0.000 0.988 2194 Q CA -0.704 54.770 55.803 -0.549 0.000 0.911 2194 Q CB 2.060 29.959 28.738 -1.397 0.000 1.258 2194 Q HN 0.464 nan 8.270 nan 0.000 0.475 2195 I N 1.521 121.928 120.570 -0.272 0.000 2.385 2195 I HA 0.383 4.553 4.170 0.000 0.000 0.294 2195 I C -0.067 175.998 176.117 -0.087 0.000 0.988 2195 I CA -0.599 60.669 61.300 -0.053 0.000 1.265 2195 I CB 0.658 38.771 38.000 0.187 0.000 1.388 2195 I HN 0.340 nan 8.210 nan 0.000 0.480 2196 R N 5.182 125.628 120.500 -0.090 0.000 2.808 2196 R HA 0.632 4.972 4.340 0.000 0.000 0.272 2196 R C -1.278 174.999 176.300 -0.039 0.000 0.995 2196 R CA -1.262 54.808 56.100 -0.050 0.000 0.917 2196 R CB 2.087 32.344 30.300 -0.072 0.000 1.217 2196 R HN 0.455 nan 8.270 nan 0.000 0.471 2197 M N 2.046 121.635 119.600 -0.018 0.000 2.300 2197 M HA 0.309 4.789 4.480 0.000 0.000 0.348 2197 M C 0.086 176.376 176.300 -0.016 0.000 1.151 2197 M CA -0.286 55.002 55.300 -0.021 0.000 1.046 2197 M CB 1.323 33.917 32.600 -0.010 0.000 1.647 2197 M HN 0.214 nan 8.290 nan 0.000 0.451 2198 K N 4.385 124.777 120.400 -0.013 0.000 2.248 2198 K HA 0.456 4.776 4.320 0.000 0.000 0.281 2198 K C -0.422 176.183 176.600 0.009 0.000 1.054 2198 K CA -0.501 55.789 56.287 0.003 0.000 0.903 2198 K CB 0.232 32.745 32.500 0.021 0.000 1.077 2198 K HN 0.812 nan 8.250 nan 0.000 0.474 2199 I N -0.761 119.815 120.570 0.010 0.000 2.938 2199 I HA 0.264 4.434 4.170 0.000 0.000 0.285 2199 I C 1.008 177.136 176.117 0.019 0.000 1.182 2199 I CA 0.612 61.918 61.300 0.011 0.000 1.388 2199 I CB 0.386 38.392 38.000 0.010 0.000 1.390 2199 I HN 0.920 nan 8.210 nan 0.000 0.600 2200 G N 3.125 111.936 108.800 0.018 0.000 2.175 2200 G HA2 -0.228 3.732 3.960 0.000 0.000 0.265 2200 G HA3 -0.228 3.732 3.960 0.000 0.000 0.265 2200 G C 0.104 175.028 174.900 0.041 0.000 0.979 2200 G CA 0.282 45.397 45.100 0.025 0.000 0.663 2200 G HN 0.806 nan 8.290 nan 0.000 0.533 2201 V N 2.299 122.241 119.914 0.048 0.000 2.439 2201 V HA 0.658 4.778 4.120 0.000 0.000 0.282 2201 V C 1.274 177.405 176.094 0.062 0.000 1.039 2201 V CA 0.087 62.442 62.300 0.092 0.000 0.913 2201 V CB 1.481 33.397 31.823 0.156 0.000 0.983 2201 V HN 0.443 nan 8.190 nan 0.000 0.460 2202 M N 6.592 126.257 119.600 0.109 0.000 2.337 2202 M HA 0.270 4.750 4.480 0.000 0.000 0.256 2202 M C 0.102 176.468 176.300 0.109 0.000 1.075 2202 M CA 0.288 55.634 55.300 0.076 0.000 1.024 2202 M CB -0.136 32.506 32.600 0.071 0.000 1.429 2202 M HN 0.473 nan 8.290 nan 0.000 0.497 2203 F N 1.080 121.029 119.950 -0.001 0.000 2.362 2203 F HA 0.710 5.237 4.527 0.000 0.000 0.311 2203 F C 1.384 177.183 175.800 -0.001 0.000 1.161 2203 F CA 0.143 58.143 58.000 -0.001 0.000 1.085 2203 F CB -0.155 38.845 39.000 -0.000 0.000 1.311 2203 F HN 0.279 nan 8.300 nan 0.000 0.524 2204 G N 1.969 110.506 108.800 -0.438 0.000 2.808 2204 G HA2 -0.383 3.578 3.960 0.000 0.000 0.470 2204 G HA3 -0.383 3.578 3.960 0.000 0.000 0.470 2204 G C -0.374 174.202 174.900 -0.539 0.000 1.041 2204 G CA 1.164 45.916 45.100 -0.580 0.000 0.839 2204 G HN 1.381 nan 8.290 nan 0.000 0.825 2205 N N 1.149 119.479 118.700 -0.616 0.000 2.296 2205 N HA 0.509 5.249 4.740 0.000 0.000 0.294 2205 N C -2.709 172.600 175.510 -0.334 0.000 1.033 2205 N CA -2.182 50.650 53.050 -0.363 0.000 0.839 2205 N CB 2.010 40.375 38.487 -0.203 0.000 1.395 2205 N HN 0.164 nan 8.380 nan 0.000 0.479 2206 P HA 0.116 nan 4.420 nan 0.000 0.256 2206 P C -0.546 176.696 177.300 -0.096 0.000 1.335 2206 P CA 0.334 63.354 63.100 -0.134 0.000 0.808 2206 P CB 0.122 31.768 31.700 -0.089 0.000 1.305 2207 E N 0.167 120.299 120.200 -0.114 0.000 2.313 2207 E HA 0.317 4.667 4.350 0.000 0.000 0.276 2207 E C -0.078 176.439 176.600 -0.139 0.000 1.031 2207 E CA 0.337 56.671 56.400 -0.109 0.000 0.857 2207 E CB 0.898 30.535 29.700 -0.105 0.000 1.040 2207 E HN 0.079 nan 8.360 nan 0.000 0.408 2208 T N 0.717 115.173 114.554 -0.163 0.000 2.787 2208 T HA 0.308 4.658 4.350 0.000 0.000 0.297 2208 T C -0.317 174.228 174.700 -0.259 0.000 1.221 2208 T CA -0.676 61.312 62.100 -0.187 0.000 1.006 2208 T CB 1.908 70.718 68.868 -0.097 0.000 1.328 2208 T HN 0.317 nan 8.240 nan 0.000 0.509 2209 T N 0.931 115.342 114.554 -0.239 0.000 2.952 2209 T HA 0.636 4.986 4.350 0.000 0.000 0.286 2209 T C -0.149 174.475 174.700 -0.126 0.000 1.024 2209 T CA -0.332 61.641 62.100 -0.212 0.000 1.029 2209 T CB 0.945 69.697 68.868 -0.194 0.000 1.094 2209 T HN 0.642 nan 8.240 nan 0.000 0.515 2210 T N 0.853 115.341 114.554 -0.111 0.000 2.847 2210 T HA 0.532 4.882 4.350 0.000 0.000 0.279 2210 T C 1.074 175.735 174.700 -0.065 0.000 0.984 2210 T CA 0.314 62.367 62.100 -0.079 0.000 0.988 2210 T CB 0.652 69.475 68.868 -0.074 0.000 1.040 2210 T HN 1.156 nan 8.240 nan 0.000 0.528 2211 G N 0.324 109.093 108.800 -0.051 0.000 2.221 2211 G HA2 0.177 4.137 3.960 0.000 0.000 0.265 2211 G HA3 0.177 4.137 3.960 0.000 0.000 0.265 2211 G C 0.673 175.540 174.900 -0.056 0.000 1.041 2211 G CA 0.167 45.232 45.100 -0.059 0.000 0.807 2211 G HN 1.649 nan 8.290 nan 0.000 0.502 2212 G N -0.742 108.039 108.800 -0.033 0.000 2.914 2212 G HA2 -0.310 3.650 3.960 0.000 0.000 0.254 2212 G HA3 -0.310 3.650 3.960 0.000 0.000 0.254 2212 G C 0.856 175.768 174.900 0.020 0.000 1.449 2212 G CA 0.447 45.542 45.100 -0.007 0.000 0.925 2212 G HN 0.872 nan 8.290 nan 0.000 0.555 2213 N N 0.457 119.202 118.700 0.075 0.000 2.364 2213 N HA -0.097 4.644 4.740 0.000 0.000 0.183 2213 N C 2.780 178.451 175.510 0.267 0.000 1.022 2213 N CA 1.281 54.442 53.050 0.186 0.000 0.883 2213 N CB -0.204 38.457 38.487 0.290 0.000 0.965 2213 N HN 0.852 nan 8.380 nan 0.000 0.438 2214 A N 2.135 125.035 122.820 0.133 0.000 1.893 2214 A HA -0.257 4.063 4.320 0.000 0.000 0.222 2214 A C 2.102 179.783 177.584 0.161 0.000 1.309 2214 A CA 1.583 53.677 52.037 0.096 0.000 0.681 2214 A CB -1.167 17.793 19.000 -0.067 0.000 0.842 2214 A HN 0.260 nan 8.150 nan 0.000 0.468 2215 L N -0.060 121.164 121.223 0.002 0.000 1.963 2215 L HA -0.246 4.094 4.340 0.000 0.000 0.220 2215 L C 2.358 179.306 176.870 0.129 0.000 1.076 2215 L CA 2.713 57.525 54.840 -0.047 0.000 0.772 2215 L CB -1.052 40.906 42.059 -0.169 0.000 0.892 2215 L HN 0.532 nan 8.230 nan 0.000 0.435 2216 K N -1.383 119.089 120.400 0.121 0.000 2.117 2216 K HA -0.284 4.036 4.320 0.000 0.000 0.215 2216 K C 2.001 178.620 176.600 0.032 0.000 1.053 2216 K CA 2.347 58.663 56.287 0.047 0.000 0.935 2216 K CB -0.580 31.892 32.500 -0.046 0.000 0.719 2216 K HN 0.260 nan 8.250 nan 0.000 0.460 2217 F N -0.754 119.261 119.950 0.108 0.000 2.128 2217 F HA -0.098 4.429 4.527 0.000 0.000 0.295 2217 F C 2.255 178.093 175.800 0.064 0.000 1.100 2217 F CA 1.099 59.146 58.000 0.079 0.000 1.260 2217 F CB -0.674 38.371 39.000 0.076 0.000 1.009 2217 F HN -0.001 nan 8.300 nan 0.000 0.476 2218 Y N 0.338 120.770 120.300 0.221 0.000 2.293 2218 Y HA 0.051 4.601 4.550 0.000 0.000 0.291 2218 Y C 1.772 177.726 175.900 0.090 0.000 1.137 2218 Y CA 0.094 58.273 58.100 0.132 0.000 1.202 2218 Y CB -0.800 37.709 38.460 0.082 0.000 0.990 2218 Y HN -0.074 nan 8.280 nan 0.000 0.537 2219 A N -0.003 122.945 122.820 0.214 0.000 2.567 2219 A HA 0.027 4.347 4.320 0.000 0.000 0.240 2219 A C 1.233 178.856 177.584 0.065 0.000 1.053 2219 A CA 0.718 52.827 52.037 0.120 0.000 0.755 2219 A CB 0.036 19.081 19.000 0.075 0.000 0.978 2219 A HN 0.376 nan 8.150 nan 0.000 0.507 2220 S N 0.569 116.298 115.700 0.048 0.000 2.503 2220 S HA 0.230 4.700 4.470 0.000 0.000 0.217 2220 S C 0.266 174.842 174.600 -0.039 0.000 0.999 2220 S CA 0.333 58.536 58.200 0.004 0.000 0.914 2220 S CB 0.162 63.370 63.200 0.014 0.000 0.782 2220 S HN 0.560 nan 8.310 nan 0.000 0.520 2221 V N 2.307 122.202 119.914 -0.032 0.000 2.733 2221 V HA 0.455 4.575 4.120 0.000 0.000 0.306 2221 V C -0.881 175.171 176.094 -0.071 0.000 1.084 2221 V CA -0.810 61.447 62.300 -0.073 0.000 0.905 2221 V CB 2.185 33.965 31.823 -0.072 0.000 1.010 2221 V HN 0.128 nan 8.190 nan 0.000 0.424 2222 R N 4.098 124.524 120.500 -0.123 0.000 2.534 2222 R HA 0.666 5.006 4.340 0.000 0.000 0.301 2222 R C -1.838 174.301 176.300 -0.268 0.000 0.961 2222 R CA -0.913 55.100 56.100 -0.145 0.000 0.871 2222 R CB 2.254 32.508 30.300 -0.077 0.000 1.170 2222 R HN 0.334 nan 8.270 nan 0.000 0.446 2223 L N 2.705 123.708 121.223 -0.366 0.000 2.343 2223 L HA 0.244 4.584 4.340 0.000 0.000 0.278 2223 L C -0.293 176.190 176.870 -0.644 0.000 0.996 2223 L CA -0.490 54.122 54.840 -0.380 0.000 0.831 2223 L CB 1.485 43.422 42.059 -0.203 0.000 1.232 2223 L HN 0.493 nan 8.230 nan 0.000 0.413 2224 D N 4.906 124.993 120.400 -0.521 0.000 2.456 2224 D HA 0.163 4.803 4.640 0.000 0.000 0.219 2224 D C -0.196 176.019 176.300 -0.142 0.000 1.126 2224 D CA -0.187 53.570 54.000 -0.406 0.000 0.890 2224 D CB 0.647 41.355 40.800 -0.153 0.000 1.025 2224 D HN 0.475 nan 8.370 nan 0.000 0.511 2225 I N 3.047 123.564 120.570 -0.088 0.000 2.532 2225 I HA 0.412 4.582 4.170 0.000 0.000 0.292 2225 I C -0.491 175.642 176.117 0.026 0.000 1.014 2225 I CA -0.473 60.825 61.300 -0.004 0.000 1.340 2225 I CB 0.536 38.559 38.000 0.039 0.000 1.422 2225 I HN 0.251 nan 8.210 nan 0.000 0.528 2226 R N 4.904 125.404 120.500 -0.000 0.000 2.680 2226 R HA 0.382 4.722 4.340 0.000 0.000 0.269 2226 R C -1.236 175.049 176.300 -0.024 0.000 1.026 2226 R CA -0.938 55.166 56.100 0.007 0.000 0.889 2226 R CB 1.796 32.099 30.300 0.005 0.000 1.241 2226 R HN 0.569 nan 8.270 nan 0.000 0.463 2227 R N 3.029 123.533 120.500 0.008 0.000 2.221 2227 R HA 0.230 4.570 4.340 0.000 0.000 0.327 2227 R C 0.745 177.046 176.300 0.001 0.000 1.033 2227 R CA 0.034 56.138 56.100 0.006 0.000 0.887 2227 R CB 0.491 30.834 30.300 0.072 0.000 1.057 2227 R HN 0.673 nan 8.270 nan 0.000 0.455 2228 I N 0.429 120.978 120.570 -0.035 0.000 3.939 2228 I HA 0.451 4.621 4.170 0.000 0.000 0.313 2228 I C 0.770 176.877 176.117 -0.017 0.000 1.274 2228 I CA -0.179 61.108 61.300 -0.021 0.000 1.301 2228 I CB 0.785 38.761 38.000 -0.040 0.000 1.105 2228 I HN 0.586 nan 8.210 nan 0.000 0.427 2229 G N 0.778 109.550 108.800 -0.045 0.000 2.554 2229 G HA2 0.726 4.686 3.960 0.000 0.000 0.306 2229 G HA3 0.726 4.686 3.960 0.000 0.000 0.306 2229 G C -1.922 172.911 174.900 -0.112 0.000 1.320 2229 G CA -0.217 44.845 45.100 -0.063 0.000 0.800 2229 G HN 0.279 nan 8.290 nan 0.000 0.481 2230 A N -0.996 121.745 122.820 -0.132 0.000 2.306 2230 A HA 0.779 5.099 4.320 0.000 0.000 0.330 2230 A C -0.657 176.847 177.584 -0.133 0.000 1.146 2230 A CA -0.559 51.370 52.037 -0.179 0.000 0.827 2230 A CB 1.667 20.540 19.000 -0.213 0.000 1.178 2230 A HN 1.334 nan 8.150 nan 0.000 0.490 2231 V N 2.610 122.437 119.914 -0.146 0.000 2.357 2231 V HA 0.348 4.468 4.120 0.000 0.000 0.284 2231 V C -0.148 175.887 176.094 -0.097 0.000 1.018 2231 V CA -0.536 61.694 62.300 -0.117 0.000 0.841 2231 V CB 0.991 32.733 31.823 -0.135 0.000 0.991 2231 V HN 0.829 nan 8.190 nan 0.000 0.437 2232 K N 3.340 123.699 120.400 -0.068 0.000 2.244 2232 K HA 0.451 4.771 4.320 0.000 0.000 0.260 2232 K C -0.154 176.427 176.600 -0.031 0.000 0.951 2232 K CA -0.643 55.616 56.287 -0.047 0.000 0.826 2232 K CB 2.258 34.733 32.500 -0.042 0.000 1.108 2232 K HN 0.512 nan 8.250 nan 0.000 0.433 2233 E N 2.090 122.279 120.200 -0.018 0.000 2.351 2233 E HA 0.061 4.411 4.350 0.000 0.000 0.236 2233 E C 0.941 177.538 176.600 -0.005 0.000 1.341 2233 E CA 0.017 56.411 56.400 -0.010 0.000 1.579 2233 E CB 0.186 29.886 29.700 0.000 0.000 1.393 2233 E HN 1.051 nan 8.360 nan 0.000 0.438 2234 G N 1.977 110.771 108.800 -0.010 0.000 5.356 2234 G HA2 -0.392 3.568 3.960 0.000 0.000 0.309 2234 G HA3 -0.392 3.568 3.960 0.000 0.000 0.309 2234 G C 1.096 175.995 174.900 -0.001 0.000 1.451 2234 G CA 0.375 45.472 45.100 -0.006 0.000 0.978 2234 G HN 0.378 nan 8.290 nan 0.000 0.771 2235 E N 1.588 121.792 120.200 0.006 0.000 2.045 2235 E HA 0.050 4.400 4.350 0.000 0.000 0.190 2235 E C 1.135 177.748 176.600 0.021 0.000 0.968 2235 E CA 0.365 56.773 56.400 0.013 0.000 0.813 2235 E CB -0.398 29.312 29.700 0.017 0.000 0.780 2235 E HN 0.674 nan 8.360 nan 0.000 0.455 2236 N N 1.150 119.865 118.700 0.026 0.000 2.492 2236 N HA 0.079 4.819 4.740 0.000 0.000 0.262 2236 N C -0.734 174.801 175.510 0.041 0.000 1.202 2236 N CA -0.240 52.836 53.050 0.043 0.000 0.926 2236 N CB 1.336 39.851 38.487 0.047 0.000 1.078 2236 N HN -0.156 nan 8.380 nan 0.000 0.454 2237 V N 2.955 122.913 119.914 0.073 0.000 2.385 2237 V HA 0.071 4.191 4.120 0.000 0.000 0.269 2237 V C 0.681 176.871 176.094 0.159 0.000 1.043 2237 V CA -0.074 62.267 62.300 0.068 0.000 0.906 2237 V CB 1.303 33.161 31.823 0.059 0.000 0.995 2237 V HN 0.550 nan 8.190 nan 0.000 0.467 2238 V N 4.127 124.077 119.914 0.060 0.000 3.562 2238 V HA 0.596 4.716 4.120 0.000 0.000 0.270 2238 V C 0.736 176.583 176.094 -0.411 0.000 1.418 2238 V CA 0.978 63.288 62.300 0.017 0.000 1.033 2238 V CB 0.675 32.490 31.823 -0.012 0.000 0.820 2238 V HN 0.865 nan 8.190 nan 0.000 0.441 2239 G N -0.669 107.846 108.800 -0.475 0.000 2.719 2239 G HA2 0.472 4.432 3.960 0.000 0.000 0.298 2239 G HA3 0.472 4.432 3.960 0.000 0.000 0.298 2239 G C -1.093 173.558 174.900 -0.414 0.000 1.411 2239 G CA -0.264 44.396 45.100 -0.733 0.000 0.991 2239 G HN -0.014 nan 8.290 nan 0.000 0.509 2240 S N 0.764 116.268 115.700 -0.327 0.000 2.473 2240 S HA 0.229 4.699 4.470 0.000 0.000 0.312 2240 S C 0.253 174.780 174.600 -0.122 0.000 1.087 2240 S CA -0.298 57.886 58.200 -0.027 0.000 1.077 2240 S CB 0.835 64.151 63.200 0.193 0.000 1.065 2240 S HN 0.625 nan 8.310 nan 0.000 0.510 2241 E N 2.872 122.992 120.200 -0.134 0.000 2.493 2241 E HA 0.080 4.430 4.350 0.000 0.000 0.255 2241 E C -0.416 176.065 176.600 -0.198 0.000 0.999 2241 E CA 0.637 56.944 56.400 -0.156 0.000 0.934 2241 E CB 0.327 29.959 29.700 -0.114 0.000 0.940 2241 E HN 0.379 nan 8.360 nan 0.000 0.473 2242 T N 5.663 119.999 114.554 -0.364 0.000 2.876 2242 T HA 0.458 4.808 4.350 0.000 0.000 0.289 2242 T C -0.714 173.669 174.700 -0.528 0.000 1.014 2242 T CA -0.788 61.025 62.100 -0.479 0.000 0.986 2242 T CB 1.270 69.728 68.868 -0.682 0.000 1.021 2242 T HN 0.361 nan 8.240 nan 0.000 0.458 2243 R N 2.182 122.511 120.500 -0.285 0.000 2.534 2243 R HA 0.714 5.054 4.340 0.000 0.000 0.301 2243 R C -1.924 174.336 176.300 -0.067 0.000 0.961 2243 R CA -0.560 55.451 56.100 -0.149 0.000 0.871 2243 R CB 1.351 31.607 30.300 -0.075 0.000 1.170 2243 R HN 0.466 nan 8.270 nan 0.000 0.446 2244 V N 4.986 124.912 119.914 0.021 0.000 2.443 2244 V HA 0.354 4.474 4.120 0.000 0.000 0.293 2244 V C -0.308 175.790 176.094 0.007 0.000 1.021 2244 V CA -0.883 61.440 62.300 0.038 0.000 0.848 2244 V CB 1.721 33.626 31.823 0.135 0.000 0.998 2244 V HN 0.687 nan 8.190 nan 0.000 0.424 2245 K N 2.801 123.176 120.400 -0.042 0.000 2.143 2245 K HA 0.572 4.892 4.320 0.000 0.000 0.272 2245 K C -0.678 175.836 176.600 -0.142 0.000 1.001 2245 K CA -0.634 55.616 56.287 -0.062 0.000 0.915 2245 K CB 2.197 34.672 32.500 -0.041 0.000 1.047 2245 K HN 0.452 nan 8.250 nan 0.000 0.458 2246 V N 4.361 124.179 119.914 -0.159 0.000 2.356 2246 V HA 0.002 4.122 4.120 0.000 0.000 0.258 2246 V C 0.992 176.828 176.094 -0.431 0.000 1.065 2246 V CA -0.064 62.093 62.300 -0.239 0.000 0.935 2246 V CB 0.772 32.480 31.823 -0.192 0.000 1.061 2246 V HN 0.630 nan 8.190 nan 0.000 0.484 2247 V N 3.702 123.355 119.914 -0.434 0.000 3.174 2247 V HA 0.163 4.283 4.120 0.000 0.000 0.254 2247 V C 0.892 176.662 176.094 -0.540 0.000 1.120 2247 V CA 0.942 62.891 62.300 -0.585 0.000 1.114 2247 V CB -0.065 31.599 31.823 -0.265 0.000 0.756 2247 V HN 0.737 nan 8.190 nan 0.000 0.467 2248 K N 1.055 121.243 120.400 -0.354 0.000 2.371 2248 K HA 0.444 4.764 4.320 0.000 0.000 0.251 2248 K C -1.449 175.000 176.600 -0.251 0.000 0.934 2248 K CA -0.578 55.542 56.287 -0.280 0.000 0.798 2248 K CB 1.742 34.140 32.500 -0.171 0.000 1.204 2248 K HN 0.099 nan 8.250 nan 0.000 0.427 2249 N N 2.671 121.221 118.700 -0.250 0.000 2.478 2249 N HA 0.216 4.956 4.740 0.000 0.000 0.291 2249 N C -0.937 174.436 175.510 -0.228 0.000 1.090 2249 N CA -0.333 52.579 53.050 -0.229 0.000 0.911 2249 N CB 1.673 40.003 38.487 -0.262 0.000 1.546 2249 N HN 0.578 nan 8.380 nan 0.000 0.500 2250 K N 2.269 122.564 120.400 -0.176 0.000 2.358 2250 K HA 0.299 4.620 4.320 0.000 0.000 0.200 2250 K C 0.861 177.344 176.600 -0.196 0.000 1.030 2250 K CA 0.050 56.235 56.287 -0.169 0.000 1.097 2250 K CB 0.670 33.123 32.500 -0.077 0.000 0.862 2250 K HN 0.370 nan 8.250 nan 0.000 0.534 2251 I N -0.053 120.404 120.570 -0.188 0.000 3.300 2251 I HA 0.169 4.339 4.170 0.000 0.000 0.279 2251 I C 0.414 176.433 176.117 -0.164 0.000 1.172 2251 I CA 0.181 61.397 61.300 -0.140 0.000 1.431 2251 I CB 0.805 38.751 38.000 -0.090 0.000 1.240 2251 I HN -0.008 nan 8.210 nan 0.000 0.453 2252 A N -0.561 122.142 122.820 -0.195 0.000 2.765 2252 A HA 0.841 5.162 4.320 0.000 0.000 0.305 2252 A C -0.806 176.648 177.584 -0.216 0.000 1.229 2252 A CA -0.142 51.792 52.037 -0.173 0.000 0.653 2252 A CB -0.302 18.649 19.000 -0.083 0.000 1.375 2252 A HN 0.086 nan 8.150 nan 0.000 0.540 2253 A N 1.500 124.252 122.820 -0.113 0.000 2.548 2253 A HA 0.528 4.848 4.320 0.000 0.000 0.247 2253 A C -2.033 175.456 177.584 -0.158 0.000 1.067 2253 A CA -0.375 51.600 52.037 -0.103 0.000 0.757 2253 A CB -0.799 18.253 19.000 0.085 0.000 0.996 2253 A HN 0.481 nan 8.150 nan 0.000 0.504 2254 P HA 0.468 nan 4.420 nan 0.000 0.282 2254 P C 0.204 177.539 177.300 0.058 0.000 1.287 2254 P CA -0.215 62.754 63.100 -0.219 0.000 0.792 2254 P CB 0.289 31.776 31.700 -0.356 0.000 1.163 2255 F N -4.257 115.635 119.950 -0.096 0.000 2.590 2255 F HA -0.228 4.299 4.527 0.000 0.000 0.471 2255 F C 0.870 176.663 175.800 -0.012 0.000 0.551 2255 F CA 1.154 59.134 58.000 -0.034 0.000 1.228 2255 F CB -1.847 37.158 39.000 0.008 0.000 1.862 2255 F HN 0.244 nan 8.300 nan 0.000 0.271 2256 K N 2.309 122.784 120.400 0.125 0.000 2.448 2256 K HA 0.203 4.523 4.320 0.000 0.000 0.278 2256 K C 0.480 177.105 176.600 0.042 0.000 1.009 2256 K CA 0.248 56.581 56.287 0.077 0.000 0.995 2256 K CB 0.400 32.927 32.500 0.044 0.000 0.917 2256 K HN 0.413 nan 8.250 nan 0.000 0.481 2257 Q N 0.715 120.543 119.800 0.047 0.000 2.351 2257 Q HA 0.712 5.052 4.340 0.000 0.000 0.273 2257 Q C -1.381 174.645 176.000 0.044 0.000 1.077 2257 Q CA -1.269 54.557 55.803 0.039 0.000 0.843 2257 Q CB 2.012 30.777 28.738 0.045 0.000 1.367 2257 Q HN 0.508 nan 8.270 nan 0.000 0.449 2258 A N 1.865 124.725 122.820 0.067 0.000 2.335 2258 A HA 0.489 4.809 4.320 0.000 0.000 0.304 2258 A C -1.199 176.503 177.584 0.197 0.000 1.118 2258 A CA -0.684 51.425 52.037 0.120 0.000 0.757 2258 A CB 1.162 20.235 19.000 0.122 0.000 1.188 2258 A HN 0.762 nan 8.150 nan 0.000 0.460 2259 E N 1.600 121.901 120.200 0.167 0.000 2.176 2259 E HA 0.676 5.026 4.350 0.000 0.000 0.267 2259 E C -0.990 175.722 176.600 0.186 0.000 0.893 2259 E CA -0.347 56.104 56.400 0.085 0.000 0.761 2259 E CB 1.765 31.474 29.700 0.014 0.000 1.133 2259 E HN 0.670 nan 8.360 nan 0.000 0.409 2260 F N -0.717 119.215 119.950 -0.029 0.000 3.215 2260 F HA 0.464 4.991 4.527 0.000 0.000 0.326 2260 F C -1.425 174.358 175.800 -0.029 0.000 1.189 2260 F CA -1.224 56.755 58.000 -0.036 0.000 0.905 2260 F CB 1.161 40.131 39.000 -0.050 0.000 1.485 2260 F HN 0.121 nan 8.300 nan 0.000 0.508 2261 Q N 1.119 121.034 119.800 0.193 0.000 2.340 2261 Q HA 0.649 4.989 4.340 0.000 0.000 0.268 2261 Q C -1.419 174.677 176.000 0.161 0.000 1.031 2261 Q CA -0.678 55.151 55.803 0.043 0.000 0.804 2261 Q CB 3.099 31.849 28.738 0.020 0.000 1.286 2261 Q HN 0.559 nan 8.270 nan 0.000 0.448 2262 I N 3.812 124.397 120.570 0.025 0.000 2.388 2262 I HA 0.235 4.405 4.170 0.000 0.000 0.281 2262 I C -0.554 175.485 176.117 -0.131 0.000 1.046 2262 I CA -0.432 60.914 61.300 0.077 0.000 1.187 2262 I CB 0.559 38.658 38.000 0.165 0.000 1.351 2262 I HN 0.375 nan 8.210 nan 0.000 0.472 2263 L N 6.152 127.322 121.223 -0.089 0.000 2.360 2263 L HA 0.238 4.578 4.340 0.000 0.000 0.276 2263 L C -0.576 176.274 176.870 -0.034 0.000 1.121 2263 L CA -0.623 54.102 54.840 -0.192 0.000 0.845 2263 L CB -0.065 41.955 42.059 -0.065 0.000 1.143 2263 L HN 0.390 nan 8.230 nan 0.000 0.452 2264 Y N 1.450 121.844 120.300 0.157 0.000 2.436 2264 Y HA 0.359 4.910 4.550 0.000 0.000 0.336 2264 Y C 1.344 177.391 175.900 0.245 0.000 1.049 2264 Y CA -0.171 58.063 58.100 0.223 0.000 1.294 2264 Y CB 0.340 38.881 38.460 0.134 0.000 1.179 2264 Y HN 0.857 nan 8.280 nan 0.000 0.520 2265 G N 1.883 111.039 108.800 0.593 0.000 2.157 2265 G HA2 -0.294 3.666 3.960 0.000 0.000 0.239 2265 G HA3 -0.294 3.666 3.960 0.000 0.000 0.239 2265 G C 0.652 175.648 174.900 0.160 0.000 0.982 2265 G CA 0.509 45.842 45.100 0.389 0.000 0.650 2265 G HN 0.656 nan 8.290 nan 0.000 0.527 2266 E N -1.664 118.609 120.200 0.123 0.000 2.583 2266 E HA 0.439 4.789 4.350 0.000 0.000 0.204 2266 E C 1.383 177.994 176.600 0.017 0.000 0.860 2266 E CA 1.099 57.525 56.400 0.043 0.000 1.473 2266 E CB 0.612 30.344 29.700 0.052 0.000 1.469 2266 E HN 1.695 nan 8.360 nan 0.000 0.788 2267 G N 1.128 109.968 108.800 0.066 0.000 2.451 2267 G HA2 -0.195 3.765 3.960 0.000 0.000 0.208 2267 G HA3 -0.195 3.765 3.960 0.000 0.000 0.208 2267 G C -0.519 174.454 174.900 0.122 0.000 1.248 2267 G CA -0.358 44.789 45.100 0.078 0.000 0.989 2267 G HN 0.146 nan 8.290 nan 0.000 0.559 2268 I N 1.690 122.340 120.570 0.134 0.000 2.587 2268 I HA 0.072 4.242 4.170 0.000 0.000 0.284 2268 I C 0.633 176.838 176.117 0.147 0.000 1.134 2268 I CA -0.259 61.141 61.300 0.167 0.000 1.410 2268 I CB 0.647 38.672 38.000 0.041 0.000 1.392 2268 I HN 0.424 nan 8.210 nan 0.000 0.545 2269 N N 6.503 125.298 118.700 0.157 0.000 2.605 2269 N HA -0.044 4.696 4.740 0.000 0.000 0.282 2269 N C 0.633 176.223 175.510 0.133 0.000 1.206 2269 N CA 0.246 53.388 53.050 0.153 0.000 1.074 2269 N CB -0.113 38.443 38.487 0.115 0.000 1.434 2269 N HN 0.502 nan 8.380 nan 0.000 0.506 2270 F N 3.020 122.948 119.950 -0.036 0.000 2.069 2270 F HA -0.250 4.277 4.527 0.000 0.000 0.298 2270 F C 1.009 176.682 175.800 -0.212 0.000 1.113 2270 F CA 1.696 59.569 58.000 -0.211 0.000 1.214 2270 F CB -0.122 38.648 39.000 -0.383 0.000 0.978 2270 F HN 0.494 nan 8.300 nan 0.000 0.474 2271 Y N 0.075 120.510 120.300 0.225 0.000 2.293 2271 Y HA -0.009 4.541 4.550 0.000 0.000 0.291 2271 Y C 2.665 178.574 175.900 0.015 0.000 1.137 2271 Y CA 0.813 58.987 58.100 0.123 0.000 1.202 2271 Y CB -1.331 37.196 38.460 0.111 0.000 0.990 2271 Y HN 0.137 nan 8.280 nan 0.000 0.537 2272 G N 0.534 109.426 108.800 0.153 0.000 2.631 2272 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 2272 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 2272 G C 1.400 176.306 174.900 0.009 0.000 1.214 2272 G CA 1.616 46.752 45.100 0.061 0.000 0.785 2272 G HN 0.448 nan 8.290 nan 0.000 0.596 2273 E N -0.059 120.112 120.200 -0.049 0.000 2.033 2273 E HA -0.162 4.188 4.350 0.000 0.000 0.199 2273 E C 2.423 178.957 176.600 -0.109 0.000 1.011 2273 E CA 1.000 57.339 56.400 -0.103 0.000 0.815 2273 E CB -0.381 29.177 29.700 -0.238 0.000 0.755 2273 E HN 0.246 nan 8.360 nan 0.000 0.451 2274 L N 1.123 122.242 121.223 -0.173 0.000 2.030 2274 L HA -0.288 4.052 4.340 0.000 0.000 0.222 2274 L C 2.286 179.151 176.870 -0.008 0.000 1.082 2274 L CA 1.663 56.439 54.840 -0.107 0.000 0.785 2274 L CB -0.772 41.258 42.059 -0.048 0.000 0.895 2274 L HN 0.034 nan 8.230 nan 0.000 0.439 2275 V N -0.165 119.767 119.914 0.030 0.000 2.217 2275 V HA -0.415 3.705 4.120 0.000 0.000 0.248 2275 V C 2.332 178.477 176.094 0.085 0.000 1.050 2275 V CA 2.222 64.555 62.300 0.054 0.000 1.007 2275 V CB -0.950 30.865 31.823 -0.013 0.000 0.639 2275 V HN 0.480 nan 8.190 nan 0.000 0.452 2276 D N -0.154 120.286 120.400 0.068 0.000 2.157 2276 D HA -0.185 4.455 4.640 0.000 0.000 0.191 2276 D C 2.097 178.433 176.300 0.061 0.000 1.004 2276 D CA 1.365 55.414 54.000 0.081 0.000 0.854 2276 D CB -0.353 40.478 40.800 0.050 0.000 0.936 2276 D HN 0.195 nan 8.370 nan 0.000 0.446 2277 L N 0.490 121.727 121.223 0.023 0.000 2.046 2277 L HA -0.080 4.260 4.340 0.000 0.000 0.208 2277 L C 2.600 179.491 176.870 0.034 0.000 1.077 2277 L CA 1.701 56.547 54.840 0.009 0.000 0.747 2277 L CB -1.680 40.358 42.059 -0.035 0.000 0.896 2277 L HN 0.091 nan 8.230 nan 0.000 0.432 2278 G N -0.803 108.028 108.800 0.050 0.000 2.422 2278 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 2278 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 2278 G C 1.751 176.711 174.900 0.099 0.000 1.146 2278 G CA 0.976 46.123 45.100 0.078 0.000 0.769 2278 G HN 0.265 nan 8.290 nan 0.000 0.547 2279 V N 0.657 120.639 119.914 0.113 0.000 2.261 2279 V HA -0.135 3.985 4.120 0.000 0.000 0.246 2279 V C 2.653 178.785 176.094 0.063 0.000 1.047 2279 V CA 2.184 64.546 62.300 0.104 0.000 1.015 2279 V CB -0.427 31.477 31.823 0.135 0.000 0.642 2279 V HN 0.357 nan 8.190 nan 0.000 0.446 2280 K N -0.312 120.121 120.400 0.054 0.000 2.209 2280 K HA -0.150 4.170 4.320 0.000 0.000 0.204 2280 K C 1.605 178.226 176.600 0.035 0.000 1.048 2280 K CA 1.108 57.418 56.287 0.037 0.000 0.940 2280 K CB 0.066 32.585 32.500 0.032 0.000 0.729 2280 K HN 0.379 nan 8.250 nan 0.000 0.451 2281 E N 0.578 120.803 120.200 0.042 0.000 2.444 2281 E HA 0.012 4.362 4.350 0.000 0.000 0.191 2281 E C -0.235 176.394 176.600 0.049 0.000 1.041 2281 E CA 0.037 56.462 56.400 0.041 0.000 0.883 2281 E CB 0.671 30.394 29.700 0.039 0.000 1.024 2281 E HN 0.117 nan 8.360 nan 0.000 0.470 2282 K N -0.110 120.321 120.400 0.052 0.000 3.130 2282 K HA -0.204 4.116 4.320 0.000 0.000 0.282 2282 K C 0.947 177.594 176.600 0.078 0.000 1.145 2282 K CA 0.397 56.716 56.287 0.053 0.000 0.831 2282 K CB -2.043 30.479 32.500 0.036 0.000 1.226 2282 K HN 0.277 nan 8.250 nan 0.000 0.478 2283 L N -0.409 120.877 121.223 0.106 0.000 2.375 2283 L HA 0.174 4.514 4.340 0.000 0.000 0.215 2283 L C 0.986 178.003 176.870 0.244 0.000 1.108 2283 L CA 0.578 55.519 54.840 0.168 0.000 0.830 2283 L CB 0.195 42.349 42.059 0.158 0.000 0.959 2283 L HN 0.113 nan 8.230 nan 0.000 0.457 2284 I N -0.856 119.828 120.570 0.189 0.000 2.509 2284 I HA 0.208 4.378 4.170 0.000 0.000 0.293 2284 I C -0.275 175.921 176.117 0.132 0.000 1.020 2284 I CA -0.648 60.780 61.300 0.215 0.000 1.088 2284 I CB 2.214 40.352 38.000 0.231 0.000 1.267 2284 I HN -0.166 nan 8.210 nan 0.000 0.430 2285 E N 5.250 125.514 120.200 0.107 0.000 2.313 2285 E HA 0.245 4.595 4.350 0.000 0.000 0.276 2285 E C -0.698 175.881 176.600 -0.035 0.000 1.031 2285 E CA -0.310 56.109 56.400 0.032 0.000 0.857 2285 E CB 0.968 30.681 29.700 0.022 0.000 1.040 2285 E HN 0.322 nan 8.360 nan 0.000 0.408 2286 K N 2.786 123.123 120.400 -0.105 0.000 2.575 2286 K HA 0.494 4.814 4.320 0.000 0.000 0.236 2286 K C -1.595 174.928 176.600 -0.128 0.000 0.976 2286 K CA -0.590 55.552 56.287 -0.241 0.000 0.985 2286 K CB 0.971 33.242 32.500 -0.381 0.000 1.198 2286 K HN 0.492 nan 8.250 nan 0.000 0.464 2287 A N 3.555 126.339 122.820 -0.059 0.000 2.880 2287 A HA 0.568 4.888 4.320 0.000 0.000 0.328 2287 A C 0.836 178.435 177.584 0.025 0.000 1.440 2287 A CA 0.353 52.389 52.037 -0.003 0.000 1.068 2287 A CB -0.254 18.763 19.000 0.028 0.000 1.163 2287 A HN 1.059 nan 8.150 nan 0.000 0.510 2288 G N 1.296 110.077 108.800 -0.032 0.000 3.031 2288 G HA2 -0.062 3.898 3.960 0.000 0.000 0.289 2288 G HA3 -0.062 3.898 3.960 0.000 0.000 0.289 2288 G C 1.306 176.156 174.900 -0.084 0.000 1.393 2288 G CA 0.715 45.797 45.100 -0.031 0.000 1.010 2288 G HN 1.835 nan 8.290 nan 0.000 0.579 2289 A N -0.789 121.985 122.820 -0.076 0.000 2.229 2289 A HA 0.530 4.850 4.320 0.000 0.000 0.211 2289 A C 0.700 178.201 177.584 -0.137 0.000 1.193 2289 A CA 0.529 52.484 52.037 -0.136 0.000 0.879 2289 A CB 0.041 18.918 19.000 -0.204 0.000 0.911 2289 A HN 0.599 nan 8.150 nan 0.000 0.492 2290 W N -0.378 120.901 121.300 -0.035 0.000 2.287 2290 W HA 0.487 5.147 4.660 0.000 0.000 0.313 2290 W C -0.739 175.745 176.519 -0.058 0.000 1.267 2290 W CA 0.028 57.380 57.345 0.012 0.000 1.201 2290 W CB 0.335 29.786 29.460 -0.015 0.000 1.196 2290 W HN 0.219 nan 8.180 nan 0.000 0.536 2291 Y N 2.515 122.958 120.300 0.238 0.000 2.331 2291 Y HA 0.407 4.957 4.550 0.000 0.000 0.338 2291 Y C 0.381 176.334 175.900 0.088 0.000 0.976 2291 Y CA -0.612 57.562 58.100 0.122 0.000 1.137 2291 Y CB 1.297 39.796 38.460 0.066 0.000 1.172 2291 Y HN 0.159 nan 8.280 nan 0.000 0.478 2292 S N 2.671 118.470 115.700 0.164 0.000 2.568 2292 S HA 0.468 4.938 4.470 0.000 0.000 0.302 2292 S C -1.852 172.827 174.600 0.131 0.000 1.082 2292 S CA -0.774 57.470 58.200 0.073 0.000 1.009 2292 S CB 1.417 64.625 63.200 0.014 0.000 1.069 2292 S HN 0.484 nan 8.310 nan 0.000 0.500 2293 Y N 2.072 122.323 120.300 -0.082 0.000 2.326 2293 Y HA 0.380 4.931 4.550 0.000 0.000 0.329 2293 Y C 0.260 176.149 175.900 -0.018 0.000 0.973 2293 Y CA -1.118 56.964 58.100 -0.030 0.000 1.162 2293 Y CB 0.518 38.965 38.460 -0.022 0.000 1.147 2293 Y HN 0.834 nan 8.280 nan 0.000 0.456 2294 K N 4.596 124.729 120.400 -0.445 0.000 3.016 2294 K HA -0.277 4.043 4.320 0.000 0.000 0.262 2294 K C 0.929 177.409 176.600 -0.200 0.000 1.043 2294 K CA 1.125 57.175 56.287 -0.394 0.000 0.761 2294 K CB -1.465 30.689 32.500 -0.578 0.000 1.230 2294 K HN 1.332 nan 8.250 nan 0.000 0.485 2295 G N 0.246 108.968 108.800 -0.130 0.000 2.358 2295 G HA2 -0.336 3.624 3.960 0.000 0.000 0.224 2295 G HA3 -0.336 3.624 3.960 0.000 0.000 0.224 2295 G C -0.133 174.707 174.900 -0.099 0.000 1.073 2295 G CA 0.292 45.332 45.100 -0.099 0.000 0.635 2295 G HN 0.441 nan 8.290 nan 0.000 0.509 2296 E N 2.015 122.155 120.200 -0.100 0.000 2.257 2296 E HA 0.320 4.670 4.350 0.000 0.000 0.278 2296 E C 0.028 176.546 176.600 -0.136 0.000 1.049 2296 E CA -0.330 56.009 56.400 -0.100 0.000 0.876 2296 E CB 0.203 29.868 29.700 -0.058 0.000 1.035 2296 E HN 0.356 nan 8.360 nan 0.000 0.419 2297 K N 5.725 126.026 120.400 -0.165 0.000 2.378 2297 K HA 0.087 4.407 4.320 0.000 0.000 0.288 2297 K C 1.126 177.599 176.600 -0.211 0.000 1.057 2297 K CA -0.006 56.184 56.287 -0.161 0.000 0.971 2297 K CB 0.479 32.803 32.500 -0.292 0.000 0.975 2297 K HN 0.582 nan 8.250 nan 0.000 0.475 2298 I N -1.147 119.267 120.570 -0.261 0.000 3.462 2298 I HA 0.234 4.404 4.170 0.000 0.000 0.290 2298 I C 0.618 176.586 176.117 -0.249 0.000 1.236 2298 I CA -0.056 60.841 61.300 -0.671 0.000 1.418 2298 I CB 0.570 37.964 38.000 -1.010 0.000 1.102 2298 I HN 0.530 nan 8.210 nan 0.000 0.441 2299 G N 1.812 110.673 108.800 0.102 0.000 2.443 2299 G HA2 0.128 4.088 3.960 0.000 0.000 0.303 2299 G HA3 0.128 4.088 3.960 0.000 0.000 0.303 2299 G C -1.790 173.202 174.900 0.154 0.000 1.613 2299 G CA -0.659 44.537 45.100 0.160 0.000 0.879 2299 G HN 0.232 nan 8.290 nan 0.000 0.632 2300 Q N 0.864 120.519 119.800 -0.243 0.000 2.314 2300 Q HA 0.526 4.866 4.340 0.000 0.000 0.257 2300 Q C 0.573 176.405 176.000 -0.281 0.000 0.975 2300 Q CA 0.757 56.141 55.803 -0.699 0.000 0.933 2300 Q CB 0.690 28.526 28.738 -1.502 0.000 1.195 2300 Q HN 2.322 nan 8.270 nan 0.000 0.426 2301 G N 3.127 111.895 108.800 -0.054 0.000 2.692 2301 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 2301 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 2301 G C -0.062 174.753 174.900 -0.142 0.000 1.243 2301 G CA -0.081 45.026 45.100 0.012 0.000 0.782 2301 G HN 0.759 nan 8.290 nan 0.000 0.625 2302 K N 0.674 120.972 120.400 -0.170 0.000 2.147 2302 K HA 0.054 4.374 4.320 0.000 0.000 0.205 2302 K C 2.825 179.274 176.600 -0.251 0.000 1.049 2302 K CA 2.169 58.204 56.287 -0.421 0.000 0.936 2302 K CB -0.309 32.094 32.500 -0.161 0.000 0.722 2302 K HN 1.074 nan 8.250 nan 0.000 0.446 2303 A N 1.105 123.845 122.820 -0.135 0.000 1.972 2303 A HA -0.172 4.148 4.320 0.000 0.000 0.219 2303 A C 1.574 179.115 177.584 -0.071 0.000 1.169 2303 A CA 1.750 53.738 52.037 -0.082 0.000 0.635 2303 A CB -0.509 18.457 19.000 -0.056 0.000 0.810 2303 A HN 0.513 nan 8.150 nan 0.000 0.446 2304 N N -0.739 117.907 118.700 -0.091 0.000 2.409 2304 N HA 0.127 4.867 4.740 0.000 0.000 0.174 2304 N C 1.813 177.315 175.510 -0.014 0.000 1.037 2304 N CA 0.574 53.602 53.050 -0.036 0.000 0.898 2304 N CB -0.050 38.415 38.487 -0.036 0.000 1.010 2304 N HN 0.467 nan 8.380 nan 0.000 0.445 2305 A N 0.678 123.406 122.820 -0.152 0.000 1.968 2305 A HA -0.067 4.253 4.320 0.000 0.000 0.217 2305 A C 2.211 179.797 177.584 0.003 0.000 1.169 2305 A CA 1.290 53.243 52.037 -0.141 0.000 0.638 2305 A CB -0.640 18.029 19.000 -0.552 0.000 0.812 2305 A HN 0.133 nan 8.150 nan 0.000 0.446 2306 T N 0.447 114.977 114.554 -0.040 0.000 2.614 2306 T HA -0.022 4.328 4.350 0.000 0.000 0.263 2306 T C 2.191 176.891 174.700 -0.000 0.000 1.055 2306 T CA 1.696 63.802 62.100 0.010 0.000 1.162 2306 T CB -0.520 68.343 68.868 -0.009 0.000 0.863 2306 T HN 0.560 nan 8.240 nan 0.000 0.414 2307 A N -0.473 122.348 122.820 0.002 0.000 2.172 2307 A HA -0.025 4.295 4.320 0.000 0.000 0.216 2307 A C 1.907 179.499 177.584 0.013 0.000 1.154 2307 A CA 0.942 52.967 52.037 -0.021 0.000 0.701 2307 A CB -0.879 18.120 19.000 -0.001 0.000 0.789 2307 A HN 0.754 nan 8.150 nan 0.000 0.465 2308 W N -0.394 120.855 121.300 -0.086 0.000 2.539 2308 W HA 0.133 4.793 4.660 0.000 0.000 0.281 2308 W C 1.455 177.921 176.519 -0.088 0.000 1.220 2308 W CA 0.906 58.215 57.345 -0.060 0.000 1.332 2308 W CB -0.032 29.422 29.460 -0.009 0.000 1.095 2308 W HN 0.191 nan 8.180 nan 0.000 0.571 2309 L N 0.995 122.215 121.223 -0.004 0.000 2.141 2309 L HA -0.137 4.203 4.340 0.000 0.000 0.209 2309 L C 2.545 179.112 176.870 -0.505 0.000 1.094 2309 L CA 1.350 56.071 54.840 -0.198 0.000 0.763 2309 L CB -0.685 41.459 42.059 0.141 0.000 0.908 2309 L HN -0.103 nan 8.230 nan 0.000 0.437 2310 K N -0.017 120.011 120.400 -0.619 0.000 2.097 2310 K HA -0.238 4.082 4.320 0.000 0.000 0.206 2310 K C 1.592 177.905 176.600 -0.479 0.000 1.049 2310 K CA 1.876 57.711 56.287 -0.753 0.000 0.933 2310 K CB 0.035 32.238 32.500 -0.495 0.000 0.717 2310 K HN 0.183 nan 8.250 nan 0.000 0.442 2311 D N -0.274 119.873 120.400 -0.421 0.000 2.194 2311 D HA -0.038 4.602 4.640 0.000 0.000 0.204 2311 D C -0.315 175.720 176.300 -0.442 0.000 0.964 2311 D CA 0.734 54.514 54.000 -0.366 0.000 0.846 2311 D CB 0.239 40.852 40.800 -0.313 0.000 0.962 2311 D HN 0.055 nan 8.370 nan 0.000 0.490 2312 N N -0.371 117.939 118.700 -0.650 0.000 2.898 2312 N HA 0.227 4.967 4.740 0.000 0.000 0.245 2312 N C -2.199 173.081 175.510 -0.384 0.000 1.185 2312 N CA -1.213 51.490 53.050 -0.579 0.000 0.879 2312 N CB 1.868 39.832 38.487 -0.872 0.000 1.157 2312 N HN -0.031 nan 8.380 nan 0.000 0.503 2313 P HA -0.134 nan 4.420 nan 0.000 0.222 2313 P C 0.850 178.118 177.300 -0.053 0.000 1.147 2313 P CA 0.976 64.024 63.100 -0.087 0.000 0.790 2313 P CB 0.424 32.083 31.700 -0.068 0.000 0.780 2314 E N -0.398 119.755 120.200 -0.078 0.000 2.038 2314 E HA -0.138 4.212 4.350 0.000 0.000 0.195 2314 E C 1.745 178.339 176.600 -0.010 0.000 1.000 2314 E CA 1.711 58.091 56.400 -0.033 0.000 0.803 2314 E CB -1.769 27.916 29.700 -0.025 0.000 0.750 2314 E HN 0.292 nan 8.360 nan 0.000 0.448 2315 T N 1.694 116.222 114.554 -0.043 0.000 2.821 2315 T HA -0.017 4.333 4.350 0.000 0.000 0.267 2315 T C 2.119 176.801 174.700 -0.031 0.000 1.046 2315 T CA 1.372 63.468 62.100 -0.007 0.000 1.139 2315 T CB -0.276 68.593 68.868 0.002 0.000 0.871 2315 T HN 0.318 nan 8.240 nan 0.000 0.454 2316 A N 2.288 125.098 122.820 -0.016 0.000 1.877 2316 A HA -0.135 4.185 4.320 0.000 0.000 0.216 2316 A C 2.334 179.959 177.584 0.070 0.000 1.186 2316 A CA 1.221 53.306 52.037 0.079 0.000 0.620 2316 A CB -0.341 18.807 19.000 0.246 0.000 0.822 2316 A HN 0.214 nan 8.150 nan 0.000 0.443 2317 K N -0.161 120.270 120.400 0.051 0.000 2.032 2317 K HA -0.187 4.133 4.320 0.000 0.000 0.209 2317 K C 1.895 178.519 176.600 0.041 0.000 1.048 2317 K CA 1.677 57.988 56.287 0.040 0.000 0.927 2317 K CB -0.602 31.911 32.500 0.021 0.000 0.712 2317 K HN 0.756 nan 8.250 nan 0.000 0.441 2318 E N 0.501 120.727 120.200 0.044 0.000 2.085 2318 E HA -0.148 4.202 4.350 0.000 0.000 0.194 2318 E C 2.070 178.708 176.600 0.063 0.000 0.994 2318 E CA 0.977 57.417 56.400 0.065 0.000 0.801 2318 E CB 0.013 29.775 29.700 0.102 0.000 0.743 2318 E HN 0.251 nan 8.360 nan 0.000 0.453 2319 I N 0.349 120.934 120.570 0.025 0.000 2.277 2319 I HA -0.190 3.980 4.170 0.000 0.000 0.243 2319 I C 2.609 178.742 176.117 0.026 0.000 1.094 2319 I CA 0.936 62.244 61.300 0.013 0.000 1.393 2319 I CB -0.399 37.564 38.000 -0.062 0.000 1.078 2319 I HN 0.184 nan 8.210 nan 0.000 0.417 2320 E N 1.904 122.121 120.200 0.029 0.000 2.048 2320 E HA -0.346 4.004 4.350 0.000 0.000 0.202 2320 E C 2.232 178.844 176.600 0.021 0.000 1.021 2320 E CA 2.044 58.460 56.400 0.026 0.000 0.825 2320 E CB -0.062 29.681 29.700 0.071 0.000 0.756 2320 E HN 0.279 nan 8.360 nan 0.000 0.454 2321 K N 0.350 120.769 120.400 0.032 0.000 2.032 2321 K HA -0.194 4.126 4.320 0.000 0.000 0.209 2321 K C 2.178 178.795 176.600 0.028 0.000 1.048 2321 K CA 1.746 58.050 56.287 0.028 0.000 0.927 2321 K CB 0.003 32.521 32.500 0.031 0.000 0.712 2321 K HN 0.008 nan 8.250 nan 0.000 0.441 2322 K N 0.144 120.568 120.400 0.040 0.000 2.211 2322 K HA -0.082 4.238 4.320 0.000 0.000 0.203 2322 K C 1.950 178.570 176.600 0.034 0.000 1.050 2322 K CA 0.983 57.297 56.287 0.044 0.000 0.945 2322 K CB 0.099 32.640 32.500 0.068 0.000 0.732 2322 K HN 0.007 nan 8.250 nan 0.000 0.451 2323 V N 1.258 121.187 119.914 0.025 0.000 2.261 2323 V HA -0.261 3.859 4.120 0.000 0.000 0.246 2323 V C 2.209 178.304 176.094 0.000 0.000 1.047 2323 V CA 1.661 63.967 62.300 0.009 0.000 1.015 2323 V CB -0.436 31.380 31.823 -0.012 0.000 0.642 2323 V HN 0.291 nan 8.190 nan 0.000 0.446 2324 R N -0.138 120.359 120.500 -0.004 0.000 2.094 2324 R HA -0.228 4.112 4.340 0.000 0.000 0.239 2324 R C 2.334 178.636 176.300 0.003 0.000 1.137 2324 R CA 2.036 58.133 56.100 -0.006 0.000 0.943 2324 R CB -0.447 29.851 30.300 -0.003 0.000 0.850 2324 R HN 0.605 nan 8.270 nan 0.000 0.433 2325 E N 0.431 120.638 120.200 0.012 0.000 2.130 2325 E HA -0.220 4.130 4.350 0.000 0.000 0.196 2325 E C 1.982 178.591 176.600 0.015 0.000 0.998 2325 E CA 1.172 57.581 56.400 0.015 0.000 0.806 2325 E CB -0.077 29.635 29.700 0.021 0.000 0.738 2325 E HN 0.322 nan 8.360 nan 0.000 0.459 2326 L N -0.273 120.960 121.223 0.016 0.000 2.270 2326 L HA -0.041 4.299 4.340 0.000 0.000 0.210 2326 L C 1.911 178.789 176.870 0.014 0.000 1.104 2326 L CA 0.525 55.376 54.840 0.017 0.000 0.804 2326 L CB 0.254 42.325 42.059 0.021 0.000 0.937 2326 L HN 0.099 nan 8.230 nan 0.000 0.450 2327 L N -0.809 120.419 121.223 0.008 0.000 2.858 2327 L HA 0.256 4.596 4.340 0.000 0.000 0.251 2327 L C -0.185 176.687 176.870 0.004 0.000 1.149 2327 L CA -0.200 54.643 54.840 0.006 0.000 0.955 2327 L CB 0.706 42.764 42.059 -0.001 0.000 1.289 2327 L HN 0.058 nan 8.230 nan 0.000 0.542 2328 L N -0.319 120.906 121.223 0.003 0.000 2.309 2328 L HA 0.321 4.661 4.340 0.000 0.000 0.282 2328 L C 0.647 177.525 176.870 0.012 0.000 1.036 2328 L CA -0.217 54.625 54.840 0.003 0.000 0.806 2328 L CB 1.679 43.736 42.059 -0.003 0.000 1.220 2328 L HN 0.007 nan 8.230 nan 0.000 0.429 2329 S N 0.845 116.554 115.700 0.015 0.000 2.525 2329 S HA 0.323 4.793 4.470 0.000 0.000 0.242 2329 S C 0.099 174.715 174.600 0.026 0.000 1.164 2329 S CA -0.542 57.673 58.200 0.027 0.000 1.154 2329 S CB -0.328 62.896 63.200 0.039 0.000 0.875 2329 S HN 0.777 nan 8.310 nan 0.000 0.482 2330 N N 1.718 120.427 118.700 0.016 0.000 3.565 2330 N HA 0.135 4.875 4.740 0.000 0.000 0.139 2330 N C -3.241 172.274 175.510 0.007 0.000 1.179 2330 N CA -0.363 52.696 53.050 0.014 0.000 1.876 2330 N CB 1.104 39.596 38.487 0.009 0.000 1.640 2330 N HN 0.271 nan 8.380 nan 0.000 0.702 2331 P HA 0.002 nan 4.420 nan 0.000 0.270 2331 P C 0.039 177.341 177.300 0.004 0.000 1.221 2331 P CA 0.090 63.194 63.100 0.006 0.000 0.788 2331 P CB 0.639 32.344 31.700 0.009 0.000 0.904 2332 N N 0.158 118.860 118.700 0.003 0.000 2.525 2332 N HA 0.095 4.835 4.740 0.000 0.000 0.271 2332 N C 0.046 175.558 175.510 0.003 0.000 1.194 2332 N CA 0.060 53.111 53.050 0.002 0.000 0.964 2332 N CB 0.453 38.940 38.487 -0.000 0.000 1.126 2332 N HN 0.452 nan 8.380 nan 0.000 0.452 3002 I N 0.793 121.364 120.570 0.001 0.000 2.385 3002 I HA 0.018 4.188 4.170 0.000 0.000 0.244 3002 I C 1.916 178.034 176.117 0.001 0.000 1.089 3002 I CA 1.392 62.693 61.300 0.001 0.000 1.410 3002 I CB -0.121 37.880 38.000 0.001 0.000 1.117 3002 I HN 0.383 nan 8.210 nan 0.000 0.429 3003 D N 0.724 121.124 120.400 -0.000 0.000 2.339 3003 D HA -0.077 4.563 4.640 0.000 0.000 0.217 3003 D C 1.295 177.594 176.300 -0.001 0.000 1.050 3003 D CA 0.506 54.505 54.000 -0.001 0.000 0.856 3003 D CB -0.019 40.779 40.800 -0.003 0.000 0.922 3003 D HN 0.423 nan 8.370 nan 0.000 0.518 3004 E N -0.356 119.844 120.200 0.000 0.000 2.472 3004 E HA 0.095 4.445 4.350 0.000 0.000 0.196 3004 E C 1.070 177.671 176.600 0.002 0.000 1.033 3004 E CA -0.140 56.261 56.400 0.001 0.000 0.886 3004 E CB 0.217 29.917 29.700 0.000 0.000 0.944 3004 E HN 0.043 nan 8.360 nan 0.000 0.492 3005 N N 0.833 119.534 118.700 0.002 0.000 2.416 3005 N HA -0.024 4.716 4.740 0.000 0.000 0.177 3005 N C 1.161 176.674 175.510 0.004 0.000 1.036 3005 N CA 0.702 53.754 53.050 0.003 0.000 0.901 3005 N CB 0.262 38.752 38.487 0.004 0.000 0.976 3005 N HN 0.122 nan 8.380 nan 0.000 0.444 3006 K N 0.551 120.953 120.400 0.002 0.000 2.005 3006 K HA 0.014 4.334 4.320 0.000 0.000 0.206 3006 K C 1.713 178.315 176.600 0.002 0.000 1.044 3006 K CA 0.870 57.158 56.287 0.002 0.000 0.942 3006 K CB -0.126 32.374 32.500 0.000 0.000 0.727 3006 K HN 0.143 nan 8.250 nan 0.000 0.439 3007 Q N 0.900 120.701 119.800 0.002 0.000 2.369 3007 Q HA -0.078 4.262 4.340 0.000 0.000 0.206 3007 Q C 1.978 177.980 176.000 0.003 0.000 0.963 3007 Q CA 0.884 56.688 55.803 0.002 0.000 0.894 3007 Q CB 0.191 28.930 28.738 0.001 0.000 0.965 3007 Q HN 0.177 nan 8.270 nan 0.000 0.475 3008 K N 0.259 120.661 120.400 0.003 0.000 2.116 3008 K HA -0.029 4.291 4.320 0.000 0.000 0.203 3008 K C 1.606 178.209 176.600 0.005 0.000 1.052 3008 K CA 1.176 57.465 56.287 0.004 0.000 0.952 3008 K CB 0.046 32.548 32.500 0.004 0.000 0.729 3008 K HN 0.146 nan 8.250 nan 0.000 0.446 3009 A N 1.073 123.896 122.820 0.006 0.000 2.178 3009 A HA 0.046 4.366 4.320 0.000 0.000 0.211 3009 A C 1.832 179.421 177.584 0.008 0.000 1.157 3009 A CA 0.127 52.168 52.037 0.007 0.000 0.780 3009 A CB -0.170 18.835 19.000 0.007 0.000 0.828 3009 A HN 0.350 nan 8.150 nan 0.000 0.476 3010 L N -0.094 121.133 121.223 0.007 0.000 1.993 3010 L HA 0.067 4.407 4.340 0.000 0.000 0.206 3010 L C 2.487 179.363 176.870 0.011 0.000 1.074 3010 L CA 2.310 57.155 54.840 0.008 0.000 0.746 3010 L CB -0.640 41.422 42.059 0.006 0.000 0.896 3010 L HN 0.226 nan 8.230 nan 0.000 0.435 3011 A N -0.652 122.173 122.820 0.009 0.000 2.121 3011 A HA 0.061 4.381 4.320 0.000 0.000 0.218 3011 A C 2.275 179.865 177.584 0.010 0.000 1.154 3011 A CA 1.384 53.426 52.037 0.010 0.000 0.679 3011 A CB -0.994 18.011 19.000 0.007 0.000 0.795 3011 A HN 0.635 nan 8.150 nan 0.000 0.458 3012 A N -0.601 122.224 122.820 0.009 0.000 1.975 3012 A HA 0.407 4.727 4.320 0.000 0.000 0.215 3012 A C 2.332 179.923 177.584 0.012 0.000 1.170 3012 A CA 1.359 53.401 52.037 0.008 0.000 0.656 3012 A CB -0.563 18.441 19.000 0.007 0.000 0.821 3012 A HN 0.814 nan 8.150 nan 0.000 0.449 3013 A N -0.406 122.424 122.820 0.016 0.000 1.898 3013 A HA 0.161 4.481 4.320 0.000 0.000 0.214 3013 A C 1.974 179.577 177.584 0.032 0.000 1.183 3013 A CA 1.223 53.275 52.037 0.024 0.000 0.622 3013 A CB -0.582 18.433 19.000 0.024 0.000 0.824 3013 A HN 0.353 nan 8.150 nan 0.000 0.444 3014 L N 0.152 121.392 121.223 0.028 0.000 1.963 3014 L HA -0.212 4.128 4.340 0.000 0.000 0.220 3014 L C 2.740 179.631 176.870 0.034 0.000 1.076 3014 L CA 2.395 57.254 54.840 0.032 0.000 0.772 3014 L CB -0.980 41.093 42.059 0.023 0.000 0.892 3014 L HN 0.412 nan 8.230 nan 0.000 0.435 3015 G N -2.157 106.656 108.800 0.022 0.000 2.432 3015 G HA2 -0.345 3.615 3.960 0.000 0.000 0.219 3015 G HA3 -0.345 3.615 3.960 0.000 0.000 0.219 3015 G C 1.486 176.392 174.900 0.009 0.000 1.135 3015 G CA 0.924 46.032 45.100 0.015 0.000 0.767 3015 G HN 0.443 nan 8.290 nan 0.000 0.550 3016 Q N 0.460 120.267 119.800 0.010 0.000 2.050 3016 Q HA -0.020 4.320 4.340 0.000 0.000 0.202 3016 Q C 2.347 178.346 176.000 -0.001 0.000 0.980 3016 Q CA 1.412 57.213 55.803 -0.003 0.000 0.840 3016 Q CB -0.389 28.354 28.738 0.007 0.000 0.898 3016 Q HN 0.528 nan 8.270 nan 0.000 0.424 3017 I N 0.271 120.879 120.570 0.065 0.000 2.252 3017 I HA -0.216 3.954 4.170 0.000 0.000 0.245 3017 I C 2.260 178.471 176.117 0.157 0.000 1.102 3017 I CA 1.366 62.770 61.300 0.172 0.000 1.385 3017 I CB -0.318 37.804 38.000 0.202 0.000 1.064 3017 I HN 0.301 nan 8.210 nan 0.000 0.414 3018 E N 0.745 121.000 120.200 0.090 0.000 2.118 3018 E HA -0.273 4.077 4.350 0.000 0.000 0.195 3018 E C 2.130 178.744 176.600 0.025 0.000 0.992 3018 E CA 1.132 57.574 56.400 0.070 0.000 0.804 3018 E CB -0.050 29.677 29.700 0.046 0.000 0.741 3018 E HN 0.332 nan 8.360 nan 0.000 0.458 3019 K N 0.480 120.868 120.400 -0.021 0.000 2.217 3019 K HA -0.125 4.195 4.320 0.000 0.000 0.202 3019 K C 1.977 178.496 176.600 -0.135 0.000 1.051 3019 K CA 0.834 57.087 56.287 -0.058 0.000 0.952 3019 K CB 0.196 32.664 32.500 -0.052 0.000 0.736 3019 K HN 0.119 nan 8.250 nan 0.000 0.453 3020 Q N -1.211 118.430 119.800 -0.264 0.000 2.123 3020 Q HA -0.025 4.315 4.340 0.000 0.000 0.196 3020 Q C 0.892 176.556 176.000 -0.560 0.000 0.958 3020 Q CA 1.094 56.547 55.803 -0.584 0.000 0.841 3020 Q CB 0.284 28.345 28.738 -1.128 0.000 0.915 3020 Q HN 0.222 nan 8.270 nan 0.000 0.455 3021 F N -1.173 118.785 119.950 0.012 0.000 2.728 3021 F HA 0.411 4.938 4.527 0.000 0.000 0.314 3021 F C 0.817 176.627 175.800 0.017 0.000 1.094 3021 F CA 0.359 58.368 58.000 0.015 0.000 1.217 3021 F CB 1.303 40.313 39.000 0.017 0.000 1.056 3021 F HN 0.042 nan 8.300 nan 0.000 0.577 3022 G N 0.186 109.068 108.800 0.137 0.000 2.408 3022 G HA2 -0.100 3.860 3.960 0.000 0.000 0.682 3022 G HA3 -0.100 3.860 3.960 0.000 0.000 0.682 3022 G C 0.397 175.343 174.900 0.077 0.000 1.303 3022 G CA -0.723 44.431 45.100 0.091 0.000 0.966 3022 G HN -0.156 nan 8.290 nan 0.000 0.560 3023 K N 0.035 120.468 120.400 0.056 0.000 1.975 3023 K HA -0.105 4.215 4.320 0.000 0.000 0.225 3023 K C 2.103 178.733 176.600 0.050 0.000 1.050 3023 K CA 1.921 58.235 56.287 0.044 0.000 0.992 3023 K CB -0.757 31.764 32.500 0.035 0.000 0.738 3023 K HN 1.045 nan 8.250 nan 0.000 0.446 3024 G N 1.246 110.076 108.800 0.050 0.000 3.882 3024 G HA2 0.108 4.068 3.960 0.000 0.000 0.283 3024 G HA3 0.108 4.068 3.960 0.000 0.000 0.283 3024 G C 1.051 175.985 174.900 0.056 0.000 1.283 3024 G CA 0.157 45.285 45.100 0.047 0.000 1.402 3024 G HN 0.315 nan 8.290 nan 0.000 0.618 3025 S N 0.015 115.759 115.700 0.074 0.000 2.368 3025 S HA 0.078 4.548 4.470 0.000 0.000 0.225 3025 S C 0.841 175.471 174.600 0.050 0.000 1.030 3025 S CA 0.494 58.741 58.200 0.079 0.000 0.999 3025 S CB 0.240 63.531 63.200 0.152 0.000 0.844 3025 S HN 0.388 nan 8.310 nan 0.000 0.459 3026 I N 1.196 121.798 120.570 0.055 0.000 2.656 3026 I HA 0.601 4.771 4.170 0.000 0.000 0.292 3026 I C -1.329 174.808 176.117 0.034 0.000 1.144 3026 I CA -1.307 60.017 61.300 0.039 0.000 1.038 3026 I CB 1.937 39.963 38.000 0.043 0.000 1.244 3026 I HN 0.507 nan 8.210 nan 0.000 0.420 3027 M N 4.103 123.717 119.600 0.024 0.000 2.949 3027 M HA 0.565 5.046 4.480 0.000 0.000 0.270 3027 M C -1.350 174.957 176.300 0.011 0.000 1.221 3027 M CA -1.069 54.242 55.300 0.018 0.000 0.818 3027 M CB 1.390 34.000 32.600 0.017 0.000 1.635 3027 M HN 0.280 nan 8.290 nan 0.000 0.492 3028 R N 0.892 121.396 120.500 0.006 0.000 2.590 3028 R HA 0.315 4.655 4.340 0.000 0.000 0.274 3028 R C 0.934 177.228 176.300 -0.009 0.000 1.061 3028 R CA -0.200 55.900 56.100 -0.001 0.000 1.081 3028 R CB 0.358 30.656 30.300 -0.003 0.000 0.984 3028 R HN 0.688 nan 8.270 nan 0.000 0.448 3029 L N 2.034 123.245 121.223 -0.021 0.000 1.989 3029 L HA -0.159 4.181 4.340 0.000 0.000 0.211 3029 L C 1.982 178.834 176.870 -0.031 0.000 1.071 3029 L CA 2.132 56.948 54.840 -0.040 0.000 0.749 3029 L CB -0.650 41.368 42.059 -0.069 0.000 0.890 3029 L HN 1.018 nan 8.230 nan 0.000 0.431 3030 G N -0.065 108.719 108.800 -0.027 0.000 2.517 3030 G HA2 -0.274 3.686 3.960 0.000 0.000 0.222 3030 G HA3 -0.274 3.686 3.960 0.000 0.000 0.222 3030 G C 0.884 175.776 174.900 -0.013 0.000 1.109 3030 G CA 1.014 46.102 45.100 -0.021 0.000 0.746 3030 G HN 0.725 nan 8.290 nan 0.000 0.576 3031 E N 0.033 120.227 120.200 -0.010 0.000 2.939 3031 E HA 0.222 4.572 4.350 0.000 0.000 0.215 3031 E C -1.053 175.547 176.600 -0.001 0.000 1.025 3031 E CA -0.565 55.833 56.400 -0.004 0.000 1.259 3031 E CB 0.433 30.133 29.700 -0.001 0.000 1.228 3031 E HN 0.058 nan 8.360 nan 0.000 0.443 3032 D N 1.393 121.790 120.400 -0.004 0.000 2.329 3032 D HA 0.153 4.793 4.640 0.000 0.000 0.232 3032 D C 0.651 176.953 176.300 0.003 0.000 1.088 3032 D CA -0.447 53.553 54.000 0.001 0.000 0.835 3032 D CB 1.015 41.813 40.800 -0.004 0.000 1.078 3032 D HN 0.008 nan 8.370 nan 0.000 0.495 3033 R N 1.463 121.968 120.500 0.008 0.000 2.173 3033 R HA -0.024 4.316 4.340 0.000 0.000 0.208 3033 R C 1.897 178.205 176.300 0.013 0.000 1.035 3033 R CA 0.465 56.570 56.100 0.009 0.000 1.004 3033 R CB -0.570 29.736 30.300 0.010 0.000 0.917 3033 R HN 0.447 nan 8.270 nan 0.000 0.462 3034 S N -0.077 115.635 115.700 0.020 0.000 2.489 3034 S HA -0.061 4.409 4.470 0.000 0.000 0.228 3034 S C 1.891 176.509 174.600 0.029 0.000 0.995 3034 S CA 0.512 58.729 58.200 0.028 0.000 0.934 3034 S CB -0.016 63.208 63.200 0.040 0.000 0.771 3034 S HN 0.035 nan 8.310 nan 0.000 0.522 3035 M N 2.397 122.008 119.600 0.019 0.000 2.200 3035 M HA 0.179 4.659 4.480 0.000 0.000 0.265 3035 M C -0.555 175.749 176.300 0.007 0.000 1.066 3035 M CA 0.562 55.868 55.300 0.011 0.000 1.127 3035 M CB -0.818 31.777 32.600 -0.009 0.000 1.379 3035 M HN 0.032 nan 8.290 nan 0.000 0.420 3036 D N 0.971 121.374 120.400 0.005 0.000 2.730 3036 D HA -0.060 4.580 4.640 0.000 0.000 0.225 3036 D C -0.298 176.005 176.300 0.005 0.000 1.107 3036 D CA 0.313 54.315 54.000 0.004 0.000 0.837 3036 D CB 0.372 41.175 40.800 0.004 0.000 1.171 3036 D HN -0.033 nan 8.370 nan 0.000 0.498 3037 V N 3.492 123.407 119.914 0.002 0.000 2.356 3037 V HA -0.080 4.040 4.120 0.000 0.000 0.244 3037 V C 0.936 177.029 176.094 -0.001 0.000 1.120 3037 V CA 0.381 62.681 62.300 -0.000 0.000 1.181 3037 V CB -0.758 31.063 31.823 -0.002 0.000 1.244 3037 V HN 0.390 nan 8.190 nan 0.000 0.487 3038 E N 3.838 124.038 120.200 -0.000 0.000 2.200 3038 E HA 0.430 4.780 4.350 0.000 0.000 0.283 3038 E C 0.098 176.694 176.600 -0.006 0.000 1.015 3038 E CA -0.476 55.922 56.400 -0.002 0.000 0.819 3038 E CB 1.044 30.743 29.700 -0.000 0.000 1.081 3038 E HN 0.716 nan 8.360 nan 0.000 0.397 3039 T N 2.427 116.975 114.554 -0.009 0.000 2.856 3039 T HA 0.530 4.880 4.350 0.000 0.000 0.283 3039 T C -0.112 174.579 174.700 -0.015 0.000 1.008 3039 T CA -0.959 61.132 62.100 -0.014 0.000 0.997 3039 T CB 0.938 69.796 68.868 -0.017 0.000 0.992 3039 T HN 0.239 nan 8.240 nan 0.000 0.454 3040 I N 1.963 122.522 120.570 -0.017 0.000 2.607 3040 I HA 0.415 4.585 4.170 0.000 0.000 0.305 3040 I C 1.028 177.133 176.117 -0.019 0.000 0.995 3040 I CA -0.727 60.561 61.300 -0.019 0.000 1.148 3040 I CB 1.817 39.804 38.000 -0.021 0.000 1.323 3040 I HN 0.864 nan 8.210 nan 0.000 0.461 3041 S N 1.941 117.631 115.700 -0.017 0.000 2.568 3041 S HA 0.062 4.532 4.470 0.000 0.000 0.282 3041 S C 1.329 175.922 174.600 -0.012 0.000 1.338 3041 S CA 0.073 58.271 58.200 -0.003 0.000 1.045 3041 S CB 0.392 63.593 63.200 0.002 0.000 0.873 3041 S HN 0.772 nan 8.310 nan 0.000 0.516 3042 T N 1.421 115.967 114.554 -0.014 0.000 3.067 3042 T HA 0.318 4.668 4.350 0.000 0.000 0.257 3042 T C 1.476 176.158 174.700 -0.029 0.000 1.105 3042 T CA 0.590 62.670 62.100 -0.033 0.000 1.104 3042 T CB -0.268 68.561 68.868 -0.065 0.000 0.925 3042 T HN 1.488 nan 8.240 nan 0.000 0.498 3043 G N 0.558 109.369 108.800 0.018 0.000 2.175 3043 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 3043 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 3043 G C 0.141 175.081 174.900 0.067 0.000 0.982 3043 G CA 0.134 45.271 45.100 0.060 0.000 0.641 3043 G HN 1.045 nan 8.290 nan 0.000 0.527 3044 S N -0.495 115.126 115.700 -0.132 0.000 2.733 3044 S HA 0.604 5.074 4.470 0.000 0.000 0.294 3044 S C 1.007 175.354 174.600 -0.423 0.000 1.149 3044 S CA 0.082 58.006 58.200 -0.461 0.000 1.034 3044 S CB 1.303 63.958 63.200 -0.908 0.000 1.015 3044 S HN 0.904 nan 8.310 nan 0.000 0.486 3045 L N 5.651 126.479 121.223 -0.658 0.000 1.976 3045 L HA -0.025 4.315 4.340 0.000 0.000 0.209 3045 L C 2.707 179.388 176.870 -0.314 0.000 1.071 3045 L CA 2.901 57.403 54.840 -0.563 0.000 0.746 3045 L CB -0.932 40.630 42.059 -0.829 0.000 0.890 3045 L HN 0.902 nan 8.230 nan 0.000 0.432 3046 S N -1.054 114.477 115.700 -0.280 0.000 2.420 3046 S HA -0.258 4.212 4.470 0.000 0.000 0.237 3046 S C 2.085 176.626 174.600 -0.099 0.000 1.023 3046 S CA 1.686 59.804 58.200 -0.136 0.000 0.991 3046 S CB -1.051 62.119 63.200 -0.050 0.000 0.792 3046 S HN 0.515 nan 8.310 nan 0.000 0.488 3047 L N 1.423 122.554 121.223 -0.154 0.000 2.023 3047 L HA -0.082 4.258 4.340 0.000 0.000 0.205 3047 L C 2.218 179.032 176.870 -0.094 0.000 1.073 3047 L CA 1.896 56.674 54.840 -0.104 0.000 0.745 3047 L CB -0.521 41.448 42.059 -0.150 0.000 0.900 3047 L HN 0.224 nan 8.230 nan 0.000 0.435 3048 D N 0.116 120.447 120.400 -0.115 0.000 2.133 3048 D HA -0.243 4.397 4.640 0.000 0.000 0.195 3048 D C 2.204 178.464 176.300 -0.067 0.000 0.997 3048 D CA 1.674 55.626 54.000 -0.080 0.000 0.840 3048 D CB -0.128 40.629 40.800 -0.072 0.000 0.947 3048 D HN 0.417 nan 8.370 nan 0.000 0.452 3049 I N 1.325 121.849 120.570 -0.077 0.000 2.142 3049 I HA -0.259 3.911 4.170 0.000 0.000 0.240 3049 I C 2.569 178.664 176.117 -0.036 0.000 1.078 3049 I CA 1.136 62.404 61.300 -0.053 0.000 1.343 3049 I CB -0.178 37.787 38.000 -0.058 0.000 1.046 3049 I HN -0.079 nan 8.210 nan 0.000 0.405 3050 A N 0.468 123.266 122.820 -0.036 0.000 1.972 3050 A HA -0.154 4.166 4.320 0.000 0.000 0.219 3050 A C 2.245 179.805 177.584 -0.041 0.000 1.169 3050 A CA 1.279 53.301 52.037 -0.024 0.000 0.635 3050 A CB -0.830 18.161 19.000 -0.014 0.000 0.810 3050 A HN 0.411 nan 8.150 nan 0.000 0.446 3051 L N -1.523 119.667 121.223 -0.055 0.000 2.191 3051 L HA -0.053 4.287 4.340 0.000 0.000 0.212 3051 L C 2.259 179.091 176.870 -0.064 0.000 1.103 3051 L CA 0.971 55.770 54.840 -0.068 0.000 0.769 3051 L CB -0.387 41.633 42.059 -0.065 0.000 0.908 3051 L HN 0.622 nan 8.230 nan 0.000 0.438 3052 G N -0.814 107.959 108.800 -0.044 0.000 2.396 3052 G HA2 -0.402 3.558 3.960 0.000 0.000 0.242 3052 G HA3 -0.402 3.558 3.960 0.000 0.000 0.242 3052 G C 0.953 175.838 174.900 -0.026 0.000 1.069 3052 G CA 0.468 45.550 45.100 -0.030 0.000 0.633 3052 G HN 0.505 nan 8.290 nan 0.000 0.517 3053 A N 0.291 123.089 122.820 -0.037 0.000 2.387 3053 A HA 0.621 4.941 4.320 0.000 0.000 0.234 3053 A C 2.329 179.898 177.584 -0.025 0.000 1.253 3053 A CA 1.613 53.633 52.037 -0.029 0.000 0.894 3053 A CB -0.407 18.571 19.000 -0.037 0.000 0.963 3053 A HN 2.493 nan 8.150 nan 0.000 0.508 3054 G N -2.279 106.504 108.800 -0.029 0.000 2.143 3054 G HA2 0.242 4.202 3.960 0.000 0.000 0.249 3054 G HA3 0.242 4.202 3.960 0.000 0.000 0.249 3054 G C 0.980 175.864 174.900 -0.027 0.000 0.981 3054 G CA 0.519 45.603 45.100 -0.026 0.000 0.665 3054 G HN 2.215 nan 8.290 nan 0.000 0.528 3055 G N -1.605 107.175 108.800 -0.034 0.000 2.345 3055 G HA2 0.483 4.443 3.960 0.000 0.000 0.285 3055 G HA3 0.483 4.443 3.960 0.000 0.000 0.285 3055 G C -0.891 173.987 174.900 -0.036 0.000 1.297 3055 G CA -0.490 44.590 45.100 -0.033 0.000 0.875 3055 G HN 0.925 nan 8.290 nan 0.000 0.506 3056 L N 2.215 123.419 121.223 -0.031 0.000 2.290 3056 L HA 0.409 4.749 4.340 0.000 0.000 0.284 3056 L C -1.864 174.993 176.870 -0.021 0.000 1.078 3056 L CA -1.760 53.062 54.840 -0.029 0.000 0.815 3056 L CB 1.483 43.526 42.059 -0.026 0.000 1.162 3056 L HN 0.295 nan 8.230 nan 0.000 0.435 3057 P HA 0.056 nan 4.420 nan 0.000 0.271 3057 P C -0.660 176.640 177.300 -0.000 0.000 1.220 3057 P CA -0.267 62.828 63.100 -0.009 0.000 0.768 3057 P CB 0.709 32.404 31.700 -0.009 0.000 0.848 3058 M N 2.170 121.771 119.600 0.001 0.000 2.217 3058 M HA 0.249 4.729 4.480 0.000 0.000 0.354 3058 M C 1.634 177.943 176.300 0.016 0.000 1.225 3058 M CA 0.538 55.840 55.300 0.004 0.000 1.137 3058 M CB -0.517 32.084 32.600 0.001 0.000 1.576 3058 M HN 0.832 nan 8.290 nan 0.000 0.461 3059 G N 2.397 111.207 108.800 0.016 0.000 2.176 3059 G HA2 -0.195 3.765 3.960 0.000 0.000 0.253 3059 G HA3 -0.195 3.765 3.960 0.000 0.000 0.253 3059 G C 0.348 175.275 174.900 0.045 0.000 0.979 3059 G CA -0.135 44.980 45.100 0.026 0.000 0.641 3059 G HN 0.547 nan 8.290 nan 0.000 0.530 3060 R N -0.702 119.826 120.500 0.048 0.000 2.893 3060 R HA 0.809 5.149 4.340 0.000 0.000 0.245 3060 R C -0.254 176.096 176.300 0.084 0.000 1.192 3060 R CA -0.938 55.205 56.100 0.072 0.000 1.077 3060 R CB 0.532 30.865 30.300 0.055 0.000 1.253 3060 R HN 0.183 nan 8.270 nan 0.000 0.505 3061 I N 0.196 120.838 120.570 0.121 0.000 2.441 3061 I HA 0.341 4.511 4.170 0.000 0.000 0.295 3061 I C -0.293 175.904 176.117 0.133 0.000 0.994 3061 I CA -0.682 60.718 61.300 0.166 0.000 1.144 3061 I CB 1.858 40.004 38.000 0.242 0.000 1.314 3061 I HN 0.046 nan 8.210 nan 0.000 0.445 3062 V N 4.773 124.769 119.914 0.135 0.000 2.588 3062 V HA 0.434 4.554 4.120 0.000 0.000 0.304 3062 V C -0.346 175.827 176.094 0.133 0.000 1.042 3062 V CA -0.737 61.614 62.300 0.086 0.000 0.877 3062 V CB 1.852 33.691 31.823 0.026 0.000 0.996 3062 V HN 0.758 nan 8.190 nan 0.000 0.425 3063 E N 4.196 124.451 120.200 0.092 0.000 2.151 3063 E HA 0.625 4.975 4.350 0.000 0.000 0.275 3063 E C -1.403 175.206 176.600 0.015 0.000 0.936 3063 E CA -0.575 55.891 56.400 0.111 0.000 0.777 3063 E CB 1.425 31.197 29.700 0.120 0.000 1.108 3063 E HN 0.635 nan 8.360 nan 0.000 0.401 3064 I N 5.720 126.310 120.570 0.034 0.000 2.389 3064 I HA 0.298 4.468 4.170 0.000 0.000 0.288 3064 I C -0.898 175.251 176.117 0.054 0.000 0.999 3064 I CA -0.972 60.303 61.300 -0.041 0.000 1.129 3064 I CB 0.653 38.650 38.000 -0.005 0.000 1.288 3064 I HN 0.478 nan 8.210 nan 0.000 0.444 3065 Y N 4.224 124.552 120.300 0.046 0.000 2.602 3065 Y HA 1.009 5.559 4.550 0.000 0.000 0.342 3065 Y C -0.124 175.826 175.900 0.084 0.000 1.029 3065 Y CA -1.652 56.483 58.100 0.058 0.000 1.080 3065 Y CB 1.718 40.194 38.460 0.026 0.000 1.284 3065 Y HN 0.678 nan 8.280 nan 0.000 0.485 3066 G N 0.476 109.544 108.800 0.447 0.000 2.316 3066 G HA2 0.413 4.373 3.960 0.000 0.000 0.296 3066 G HA3 0.413 4.373 3.960 0.000 0.000 0.296 3066 G C -3.564 171.566 174.900 0.382 0.000 1.399 3066 G CA -1.347 43.961 45.100 0.346 0.000 0.833 3066 G HN 0.499 nan 8.290 nan 0.000 0.565 3067 P HA 0.254 nan 4.420 nan 0.000 0.269 3067 P C -0.160 177.016 177.300 -0.206 0.000 1.217 3067 P CA -0.037 63.103 63.100 0.066 0.000 0.783 3067 P CB 0.241 31.947 31.700 0.009 0.000 0.898 3068 E N 0.617 120.225 120.200 -0.987 0.000 2.502 3068 E HA 0.103 4.453 4.350 0.000 0.000 0.261 3068 E C 0.461 176.888 176.600 -0.287 0.000 0.974 3068 E CA 0.260 56.149 56.400 -0.852 0.000 0.936 3068 E CB -0.591 28.519 29.700 -0.983 0.000 0.926 3068 E HN 0.298 nan 8.360 nan 0.000 0.459 3069 S N 0.441 116.060 115.700 -0.135 0.000 2.981 3069 S HA -0.284 4.186 4.470 0.000 0.000 0.274 3069 S C 1.448 176.072 174.600 0.041 0.000 1.297 3069 S CA 1.190 59.368 58.200 -0.036 0.000 1.266 3069 S CB -1.773 61.397 63.200 -0.049 0.000 1.542 3069 S HN 0.784 nan 8.310 nan 0.000 0.674 3070 S N 0.533 116.256 115.700 0.038 0.000 2.359 3070 S HA 0.221 4.691 4.470 0.000 0.000 0.224 3070 S C 1.744 176.405 174.600 0.103 0.000 1.035 3070 S CA 1.614 59.858 58.200 0.072 0.000 1.018 3070 S CB -0.503 62.750 63.200 0.088 0.000 0.876 3070 S HN 2.072 nan 8.310 nan 0.000 0.448 3071 G N 0.418 109.294 108.800 0.127 0.000 2.240 3071 G HA2 -0.091 3.869 3.960 0.000 0.000 0.181 3071 G HA3 -0.091 3.869 3.960 0.000 0.000 0.181 3071 G C 0.521 175.520 174.900 0.164 0.000 1.028 3071 G CA 0.134 45.333 45.100 0.164 0.000 0.760 3071 G HN 0.434 nan 8.290 nan 0.000 0.508 3072 K N 0.069 120.560 120.400 0.151 0.000 1.987 3072 K HA -0.096 4.224 4.320 0.000 0.000 0.216 3072 K C 2.575 179.264 176.600 0.147 0.000 1.051 3072 K CA 2.164 58.536 56.287 0.141 0.000 0.942 3072 K CB -0.437 32.155 32.500 0.153 0.000 0.722 3072 K HN 0.237 nan 8.250 nan 0.000 0.444 3073 T N 0.959 115.615 114.554 0.170 0.000 2.665 3073 T HA -0.179 4.171 4.350 0.000 0.000 0.268 3073 T C 1.956 176.787 174.700 0.218 0.000 1.035 3073 T CA 2.017 64.248 62.100 0.218 0.000 1.151 3073 T CB -0.568 68.442 68.868 0.236 0.000 0.862 3073 T HN 0.332 nan 8.240 nan 0.000 0.438 3074 T N 2.552 117.235 114.554 0.215 0.000 2.580 3074 T HA -0.109 4.241 4.350 0.000 0.000 0.265 3074 T C 1.886 176.681 174.700 0.158 0.000 1.063 3074 T CA 1.321 63.549 62.100 0.213 0.000 1.170 3074 T CB -0.743 68.287 68.868 0.269 0.000 0.863 3074 T HN 0.233 nan 8.240 nan 0.000 0.418 3075 L N 0.350 121.670 121.223 0.161 0.000 2.013 3075 L HA -0.235 4.105 4.340 0.000 0.000 0.212 3075 L C 2.697 179.619 176.870 0.086 0.000 1.073 3075 L CA 1.846 56.760 54.840 0.124 0.000 0.753 3075 L CB -0.908 41.228 42.059 0.129 0.000 0.890 3075 L HN 0.343 nan 8.230 nan 0.000 0.432 3076 T N 0.460 115.073 114.554 0.099 0.000 2.592 3076 T HA -0.307 4.043 4.350 0.000 0.000 0.267 3076 T C 1.802 176.567 174.700 0.108 0.000 1.060 3076 T CA 2.336 64.490 62.100 0.089 0.000 1.167 3076 T CB -0.406 68.533 68.868 0.118 0.000 0.863 3076 T HN 0.309 nan 8.240 nan 0.000 0.431 3077 L N 0.763 122.071 121.223 0.142 0.000 2.083 3077 L HA -0.116 4.224 4.340 0.000 0.000 0.209 3077 L C 2.970 179.858 176.870 0.031 0.000 1.083 3077 L CA 1.153 56.051 54.840 0.097 0.000 0.752 3077 L CB -0.490 41.597 42.059 0.047 0.000 0.899 3077 L HN 0.248 nan 8.230 nan 0.000 0.433 3078 Q N -0.408 119.408 119.800 0.026 0.000 2.224 3078 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 3078 Q C 2.393 178.385 176.000 -0.013 0.000 0.970 3078 Q CA 1.819 57.620 55.803 -0.003 0.000 0.865 3078 Q CB -0.239 28.505 28.738 0.009 0.000 0.922 3078 Q HN 0.633 nan 8.270 nan 0.000 0.445 3079 V N -2.496 117.418 119.914 -0.000 0.000 2.788 3079 V HA -0.074 4.046 4.120 0.000 0.000 0.251 3079 V C 1.990 178.076 176.094 -0.013 0.000 1.068 3079 V CA 0.758 63.051 62.300 -0.012 0.000 1.090 3079 V CB -0.458 31.358 31.823 -0.010 0.000 0.710 3079 V HN 0.136 nan 8.190 nan 0.000 0.467 3080 I N 1.135 121.707 120.570 0.004 0.000 2.163 3080 I HA -0.107 4.063 4.170 0.000 0.000 0.240 3080 I C 3.025 179.133 176.117 -0.016 0.000 1.081 3080 I CA 1.567 62.872 61.300 0.008 0.000 1.353 3080 I CB -0.745 37.285 38.000 0.050 0.000 1.054 3080 I HN 0.408 nan 8.210 nan 0.000 0.407 3081 A N 1.031 123.834 122.820 -0.028 0.000 1.859 3081 A HA -0.269 4.051 4.320 0.000 0.000 0.217 3081 A C 2.410 179.956 177.584 -0.064 0.000 1.198 3081 A CA 2.354 54.361 52.037 -0.051 0.000 0.629 3081 A CB -1.044 17.918 19.000 -0.064 0.000 0.830 3081 A HN 0.464 nan 8.150 nan 0.000 0.446 3082 A N -1.189 121.586 122.820 -0.075 0.000 2.209 3082 A HA 0.389 4.709 4.320 0.000 0.000 0.212 3082 A C 2.154 179.697 177.584 -0.068 0.000 1.158 3082 A CA 1.552 53.531 52.037 -0.096 0.000 0.742 3082 A CB -0.608 18.318 19.000 -0.123 0.000 0.790 3082 A HN 0.986 nan 8.150 nan 0.000 0.472 3083 A N -0.863 121.929 122.820 -0.047 0.000 1.911 3083 A HA -0.003 4.317 4.320 0.000 0.000 0.212 3083 A C 1.974 179.537 177.584 -0.034 0.000 1.189 3083 A CA 1.001 53.016 52.037 -0.036 0.000 0.639 3083 A CB -0.285 18.700 19.000 -0.026 0.000 0.839 3083 A HN 0.525 nan 8.150 nan 0.000 0.449 3084 Q N -0.975 118.804 119.800 -0.034 0.000 2.369 3084 Q HA -0.039 4.301 4.340 0.000 0.000 0.206 3084 Q C 1.981 177.957 176.000 -0.040 0.000 0.963 3084 Q CA 0.808 56.591 55.803 -0.032 0.000 0.894 3084 Q CB -0.011 28.709 28.738 -0.029 0.000 0.965 3084 Q HN 0.497 nan 8.270 nan 0.000 0.475 3085 R N 0.724 121.193 120.500 -0.052 0.000 2.236 3085 R HA -0.043 4.297 4.340 0.000 0.000 0.208 3085 R C 0.638 176.905 176.300 -0.055 0.000 1.036 3085 R CA 0.860 56.923 56.100 -0.061 0.000 1.001 3085 R CB 0.393 30.641 30.300 -0.086 0.000 0.896 3085 R HN 0.164 nan 8.270 nan 0.000 0.464 3086 E N -1.476 118.695 120.200 -0.047 0.000 2.624 3086 E HA 0.194 4.544 4.350 0.000 0.000 0.210 3086 E C -0.065 176.517 176.600 -0.029 0.000 0.997 3086 E CA 0.266 56.643 56.400 -0.039 0.000 0.999 3086 E CB 1.249 30.925 29.700 -0.039 0.000 1.040 3086 E HN 0.374 nan 8.360 nan 0.000 0.469 3087 G N 2.485 111.268 108.800 -0.028 0.000 2.225 3087 G HA2 -0.304 3.656 3.960 0.000 0.000 0.264 3087 G HA3 -0.304 3.656 3.960 0.000 0.000 0.264 3087 G C -0.152 174.737 174.900 -0.018 0.000 1.060 3087 G CA 0.320 45.407 45.100 -0.022 0.000 0.833 3087 G HN 0.105 nan 8.290 nan 0.000 0.498 3088 K N 0.162 120.550 120.400 -0.020 0.000 2.208 3088 K HA 0.615 4.935 4.320 0.000 0.000 0.247 3088 K C 0.135 176.727 176.600 -0.014 0.000 0.953 3088 K CA -0.517 55.761 56.287 -0.016 0.000 0.837 3088 K CB 1.442 33.932 32.500 -0.018 0.000 1.131 3088 K HN 0.166 nan 8.250 nan 0.000 0.431 3089 T N 0.319 114.867 114.554 -0.011 0.000 2.837 3089 T HA 0.369 4.719 4.350 0.000 0.000 0.285 3089 T C -0.162 174.534 174.700 -0.006 0.000 0.984 3089 T CA -0.705 61.391 62.100 -0.007 0.000 1.049 3089 T CB 0.352 69.217 68.868 -0.005 0.000 0.947 3089 T HN 0.511 nan 8.240 nan 0.000 0.472 3090 C N 2.201 121.502 119.300 0.002 0.000 2.456 3090 C HA 0.938 5.398 4.460 0.000 0.000 0.325 3090 C C 0.537 175.542 174.990 0.024 0.000 1.217 3090 C CA -0.940 58.084 59.018 0.010 0.000 1.687 3090 C CB 0.553 28.308 27.740 0.025 0.000 2.270 3090 C HN 1.119 nan 8.230 nan 0.000 0.499 3091 A N 1.776 124.605 122.820 0.015 0.000 2.365 3091 A HA 0.888 5.208 4.320 0.000 0.000 0.318 3091 A C -1.356 176.254 177.584 0.044 0.000 1.091 3091 A CA -0.286 51.768 52.037 0.028 0.000 0.763 3091 A CB 0.970 19.963 19.000 -0.011 0.000 1.248 3091 A HN 0.833 nan 8.150 nan 0.000 0.442 3092 F N 2.717 122.624 119.950 -0.072 0.000 2.529 3092 F HA 0.590 5.117 4.527 0.000 0.000 0.320 3092 F C -0.741 175.001 175.800 -0.097 0.000 1.118 3092 F CA -0.830 57.120 58.000 -0.083 0.000 0.915 3092 F CB 1.629 40.590 39.000 -0.064 0.000 1.161 3092 F HN 0.372 nan 8.300 nan 0.000 0.445 3093 I N 4.609 125.033 120.570 -0.244 0.000 2.412 3093 I HA 0.132 4.302 4.170 0.000 0.000 0.279 3093 I C -0.181 175.886 176.117 -0.083 0.000 1.063 3093 I CA -0.427 60.792 61.300 -0.136 0.000 1.193 3093 I CB 0.411 38.280 38.000 -0.217 0.000 1.370 3093 I HN 0.516 nan 8.210 nan 0.000 0.479 3094 D N 4.830 125.334 120.400 0.174 0.000 2.767 3094 D HA 0.248 4.888 4.640 0.000 0.000 0.231 3094 D C 1.430 177.644 176.300 -0.142 0.000 1.105 3094 D CA 0.082 54.186 54.000 0.173 0.000 1.024 3094 D CB 0.646 41.521 40.800 0.125 0.000 1.123 3094 D HN 0.587 nan 8.370 nan 0.000 0.470 3095 A N 1.754 124.508 122.820 -0.109 0.000 2.019 3095 A HA -0.155 4.165 4.320 0.000 0.000 0.219 3095 A C 1.988 179.580 177.584 0.013 0.000 1.164 3095 A CA 0.919 52.900 52.037 -0.093 0.000 0.644 3095 A CB -0.288 18.694 19.000 -0.030 0.000 0.805 3095 A HN 0.514 nan 8.150 nan 0.000 0.449 3096 E N -1.081 119.113 120.200 -0.010 0.000 2.274 3096 E HA -0.135 4.215 4.350 0.000 0.000 0.194 3096 E C -0.428 176.262 176.600 0.150 0.000 0.996 3096 E CA 0.240 56.637 56.400 -0.006 0.000 0.840 3096 E CB -0.146 29.520 29.700 -0.057 0.000 0.772 3096 E HN 0.690 nan 8.360 nan 0.000 0.491 3097 H N -1.944 117.158 119.070 0.053 0.000 2.677 3097 H HA -0.200 4.356 4.556 0.000 0.000 0.321 3097 H C -0.358 174.998 175.328 0.046 0.000 1.171 3097 H CA 0.675 56.757 56.048 0.057 0.000 1.139 3097 H CB -1.464 28.338 29.762 0.067 0.000 1.515 3097 H HN 0.263 nan 8.280 nan 0.000 0.423 3098 A N 0.688 123.567 122.820 0.098 0.000 2.683 3098 A HA 0.259 4.579 4.320 0.000 0.000 0.207 3098 A C -0.148 177.453 177.584 0.029 0.000 0.945 3098 A CA -0.504 51.572 52.037 0.064 0.000 1.233 3098 A CB 0.423 19.460 19.000 0.062 0.000 1.227 3098 A HN 0.136 nan 8.150 nan 0.000 0.470 3099 L N 0.928 122.144 121.223 -0.010 0.000 2.290 3099 L HA 0.575 4.915 4.340 0.000 0.000 0.284 3099 L C -0.527 176.303 176.870 -0.067 0.000 1.078 3099 L CA -0.021 54.763 54.840 -0.093 0.000 0.815 3099 L CB 0.940 42.805 42.059 -0.323 0.000 1.162 3099 L HN 0.234 nan 8.230 nan 0.000 0.435 3100 D N 7.357 127.746 120.400 -0.019 0.000 2.339 3100 D HA 0.239 4.879 4.640 0.000 0.000 0.241 3100 D C -1.811 174.493 176.300 0.007 0.000 1.183 3100 D CA -2.115 51.894 54.000 0.016 0.000 0.859 3100 D CB 1.600 42.436 40.800 0.059 0.000 1.067 3100 D HN 0.356 nan 8.370 nan 0.000 0.484 3101 P HA -0.198 nan 4.420 nan 0.000 0.212 3101 P C 1.743 179.040 177.300 -0.005 0.000 1.178 3101 P CA 0.900 63.976 63.100 -0.040 0.000 0.915 3101 P CB 0.343 32.024 31.700 -0.032 0.000 0.788 3102 I N -1.778 118.806 120.570 0.023 0.000 2.185 3102 I HA -0.290 3.880 4.170 0.000 0.000 0.246 3102 I C 2.738 178.908 176.117 0.088 0.000 1.088 3102 I CA 1.742 63.069 61.300 0.043 0.000 1.347 3102 I CB -1.333 36.695 38.000 0.047 0.000 1.041 3102 I HN -0.103 nan 8.210 nan 0.000 0.415 3103 Y N 1.236 121.521 120.300 -0.025 0.000 2.163 3103 Y HA -0.224 4.327 4.550 0.000 0.000 0.288 3103 Y C 2.524 178.411 175.900 -0.021 0.000 1.136 3103 Y CA 1.157 59.250 58.100 -0.012 0.000 1.147 3103 Y CB -0.846 37.609 38.460 -0.008 0.000 0.987 3103 Y HN 0.132 nan 8.280 nan 0.000 0.509 3104 A N 0.690 123.489 122.820 -0.035 0.000 1.940 3104 A HA -0.322 3.998 4.320 0.000 0.000 0.221 3104 A C 2.459 179.953 177.584 -0.149 0.000 1.190 3104 A CA 2.268 54.222 52.037 -0.137 0.000 0.647 3104 A CB -0.938 17.984 19.000 -0.130 0.000 0.821 3104 A HN 0.532 nan 8.150 nan 0.000 0.457 3105 R N -0.257 120.187 120.500 -0.093 0.000 2.081 3105 R HA -0.124 4.216 4.340 0.000 0.000 0.235 3105 R C 1.915 178.157 176.300 -0.097 0.000 1.131 3105 R CA 1.821 57.875 56.100 -0.076 0.000 0.960 3105 R CB -0.256 30.021 30.300 -0.039 0.000 0.856 3105 R HN 0.546 nan 8.270 nan 0.000 0.436 3106 K N 0.250 120.579 120.400 -0.118 0.000 2.442 3106 K HA -0.038 4.282 4.320 0.000 0.000 0.198 3106 K C 1.510 177.993 176.600 -0.195 0.000 1.042 3106 K CA 0.574 56.789 56.287 -0.119 0.000 0.958 3106 K CB 0.129 32.602 32.500 -0.045 0.000 0.766 3106 K HN 0.270 nan 8.250 nan 0.000 0.474 3107 L N -0.558 120.503 121.223 -0.271 0.000 2.607 3107 L HA 0.141 4.481 4.340 0.000 0.000 0.228 3107 L C 0.900 177.692 176.870 -0.130 0.000 1.123 3107 L CA 0.191 54.891 54.840 -0.233 0.000 0.890 3107 L CB 0.241 42.116 42.059 -0.306 0.000 1.103 3107 L HN 0.373 nan 8.230 nan 0.000 0.468 3108 G N 0.507 109.242 108.800 -0.108 0.000 2.132 3108 G HA2 -0.225 3.735 3.960 0.000 0.000 0.234 3108 G HA3 -0.225 3.735 3.960 0.000 0.000 0.234 3108 G C 0.080 174.937 174.900 -0.072 0.000 0.989 3108 G CA -0.077 44.976 45.100 -0.079 0.000 0.676 3108 G HN 0.092 nan 8.290 nan 0.000 0.522 3109 V N 0.606 120.473 119.914 -0.079 0.000 2.546 3109 V HA 0.426 4.546 4.120 0.000 0.000 0.284 3109 V C 0.433 176.494 176.094 -0.055 0.000 1.050 3109 V CA -0.446 61.816 62.300 -0.063 0.000 0.981 3109 V CB 1.743 33.524 31.823 -0.071 0.000 0.990 3109 V HN 0.267 nan 8.190 nan 0.000 0.474 3110 D N 3.848 124.223 120.400 -0.042 0.000 2.435 3110 D HA 0.205 4.845 4.640 0.000 0.000 0.230 3110 D C 1.122 177.401 176.300 -0.035 0.000 1.215 3110 D CA -0.278 53.700 54.000 -0.036 0.000 0.947 3110 D CB 0.509 41.291 40.800 -0.029 0.000 1.048 3110 D HN 0.281 nan 8.370 nan 0.000 0.512 3111 I N 2.125 122.671 120.570 -0.040 0.000 2.208 3111 I HA -0.233 3.937 4.170 0.000 0.000 0.245 3111 I C 1.547 177.646 176.117 -0.030 0.000 1.097 3111 I CA 1.134 62.409 61.300 -0.042 0.000 1.363 3111 I CB -0.593 37.383 38.000 -0.041 0.000 1.051 3111 I HN 0.356 nan 8.210 nan 0.000 0.413 3112 D N 0.553 120.939 120.400 -0.023 0.000 2.219 3112 D HA -0.129 4.511 4.640 0.000 0.000 0.205 3112 D C 1.617 177.909 176.300 -0.013 0.000 0.970 3112 D CA 0.899 54.889 54.000 -0.017 0.000 0.851 3112 D CB -0.185 40.606 40.800 -0.015 0.000 0.943 3112 D HN 0.301 nan 8.370 nan 0.000 0.488 3113 N N -0.060 118.631 118.700 -0.015 0.000 2.205 3113 N HA 0.035 4.776 4.740 0.000 0.000 0.201 3113 N C -0.108 175.399 175.510 -0.006 0.000 1.128 3113 N CA -0.145 52.898 53.050 -0.010 0.000 0.867 3113 N CB 0.870 39.350 38.487 -0.012 0.000 0.996 3113 N HN 0.140 nan 8.380 nan 0.000 0.503 3114 L N 2.192 123.410 121.223 -0.008 0.000 2.265 3114 L HA 0.373 4.713 4.340 0.000 0.000 0.288 3114 L C -0.366 176.511 176.870 0.011 0.000 1.058 3114 L CA -0.213 54.629 54.840 0.003 0.000 0.809 3114 L CB 0.420 42.474 42.059 -0.009 0.000 1.179 3114 L HN -0.049 nan 8.230 nan 0.000 0.429 3115 L N 5.271 126.510 121.223 0.026 0.000 2.416 3115 L HA 0.189 4.529 4.340 0.000 0.000 0.272 3115 L C -0.172 176.733 176.870 0.059 0.000 1.161 3115 L CA 0.029 54.888 54.840 0.031 0.000 0.845 3115 L CB 1.259 43.334 42.059 0.026 0.000 1.119 3115 L HN 0.756 nan 8.230 nan 0.000 0.464 3116 C N 3.436 122.763 119.300 0.045 0.000 2.481 3116 C HA 0.617 5.077 4.460 0.000 0.000 0.324 3116 C C -0.193 174.821 174.990 0.041 0.000 1.170 3116 C CA -0.458 58.598 59.018 0.063 0.000 1.361 3116 C CB 1.373 29.117 27.740 0.006 0.000 1.977 3116 C HN 0.805 nan 8.230 nan 0.000 0.459 3117 S N 4.275 120.003 115.700 0.047 0.000 2.502 3117 S HA 0.545 5.015 4.470 0.000 0.000 0.304 3117 S C -0.913 173.659 174.600 -0.047 0.000 1.097 3117 S CA -0.273 57.925 58.200 -0.003 0.000 1.045 3117 S CB 1.235 64.419 63.200 -0.028 0.000 1.019 3117 S HN 0.867 nan 8.310 nan 0.000 0.481 3118 Q N 4.795 124.550 119.800 -0.075 0.000 2.636 3118 Q HA 0.326 4.666 4.340 0.000 0.000 0.233 3118 Q C -2.347 173.607 176.000 -0.076 0.000 1.143 3118 Q CA -1.968 53.712 55.803 -0.205 0.000 0.969 3118 Q CB 1.179 29.824 28.738 -0.156 0.000 1.185 3118 Q HN 0.539 nan 8.270 nan 0.000 0.546 3119 P HA 0.028 nan 4.420 nan 0.000 0.275 3119 P C -0.273 177.062 177.300 0.058 0.000 1.228 3119 P CA -0.141 62.922 63.100 -0.061 0.000 0.786 3119 P CB 1.450 33.062 31.700 -0.147 0.000 0.927 3120 D N 0.222 120.642 120.400 0.034 0.000 2.085 3120 D HA -0.051 4.589 4.640 0.000 0.000 0.199 3120 D C 1.002 177.328 176.300 0.044 0.000 0.981 3120 D CA 1.703 55.745 54.000 0.070 0.000 0.834 3120 D CB -0.484 40.345 40.800 0.048 0.000 0.992 3120 D HN 0.496 nan 8.370 nan 0.000 0.457 3121 T N -2.531 112.012 114.554 -0.018 0.000 2.929 3121 T HA 0.505 4.855 4.350 0.000 0.000 0.284 3121 T C 1.360 176.027 174.700 -0.054 0.000 1.014 3121 T CA -0.352 61.733 62.100 -0.025 0.000 1.051 3121 T CB 2.031 70.883 68.868 -0.025 0.000 1.028 3121 T HN 0.005 nan 8.240 nan 0.000 0.485 3122 G N 0.971 109.755 108.800 -0.026 0.000 2.418 3122 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 3122 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 3122 G C 1.143 176.014 174.900 -0.048 0.000 1.158 3122 G CA 0.710 45.795 45.100 -0.025 0.000 0.771 3122 G HN 0.815 nan 8.290 nan 0.000 0.545 3123 E N 0.087 120.261 120.200 -0.043 0.000 2.048 3123 E HA -0.215 4.135 4.350 0.000 0.000 0.202 3123 E C 2.412 178.955 176.600 -0.095 0.000 1.021 3123 E CA 1.613 57.994 56.400 -0.032 0.000 0.825 3123 E CB -0.338 29.363 29.700 0.002 0.000 0.756 3123 E HN 0.607 nan 8.360 nan 0.000 0.454 3124 Q N 0.064 119.731 119.800 -0.222 0.000 2.029 3124 Q HA -0.319 4.021 4.340 0.000 0.000 0.209 3124 Q C 2.177 177.877 176.000 -0.500 0.000 0.999 3124 Q CA 2.163 57.554 55.803 -0.686 0.000 0.857 3124 Q CB -0.345 27.949 28.738 -0.740 0.000 0.926 3124 Q HN 0.328 nan 8.270 nan 0.000 0.415 3125 A N 0.302 122.956 122.820 -0.277 0.000 1.903 3125 A HA -0.235 4.085 4.320 0.000 0.000 0.219 3125 A C 2.048 179.559 177.584 -0.120 0.000 1.191 3125 A CA 1.940 53.872 52.037 -0.176 0.000 0.638 3125 A CB -0.845 18.097 19.000 -0.097 0.000 0.823 3125 A HN 0.477 nan 8.150 nan 0.000 0.451 3126 L N -1.415 119.767 121.223 -0.068 0.000 2.068 3126 L HA -0.077 4.263 4.340 0.000 0.000 0.204 3126 L C 2.617 179.490 176.870 0.005 0.000 1.076 3126 L CA 1.059 55.896 54.840 -0.006 0.000 0.753 3126 L CB -0.511 41.566 42.059 0.030 0.000 0.910 3126 L HN 0.279 nan 8.230 nan 0.000 0.439 3127 E N 0.515 120.726 120.200 0.018 0.000 2.171 3127 E HA -0.230 4.120 4.350 0.000 0.000 0.197 3127 E C 2.196 178.869 176.600 0.122 0.000 0.997 3127 E CA 1.377 57.847 56.400 0.116 0.000 0.810 3127 E CB -0.140 29.737 29.700 0.295 0.000 0.738 3127 E HN 0.512 nan 8.360 nan 0.000 0.467 3128 I N -0.249 120.339 120.570 0.030 0.000 2.202 3128 I HA -0.311 3.859 4.170 0.000 0.000 0.242 3128 I C 2.628 178.751 176.117 0.010 0.000 1.091 3128 I CA 0.628 61.949 61.300 0.036 0.000 1.368 3128 I CB -0.315 37.654 38.000 -0.052 0.000 1.058 3128 I HN 0.127 nan 8.210 nan 0.000 0.410 3129 C N 0.517 119.802 119.300 -0.025 0.000 2.398 3129 C HA -0.235 4.225 4.460 0.000 0.000 0.276 3129 C C 2.586 177.573 174.990 -0.004 0.000 1.222 3129 C CA 1.372 60.368 59.018 -0.038 0.000 1.746 3129 C CB -1.002 26.709 27.740 -0.050 0.000 2.039 3129 C HN 0.544 nan 8.230 nan 0.000 0.470 3130 D N 0.450 120.863 120.400 0.021 0.000 2.106 3130 D HA -0.126 4.514 4.640 0.000 0.000 0.191 3130 D C 2.183 178.500 176.300 0.029 0.000 0.997 3130 D CA 1.949 55.967 54.000 0.029 0.000 0.834 3130 D CB -0.250 40.578 40.800 0.046 0.000 0.956 3130 D HN 0.419 nan 8.370 nan 0.000 0.448 3131 A N -0.314 122.534 122.820 0.048 0.000 2.015 3131 A HA -0.052 4.268 4.320 0.000 0.000 0.219 3131 A C 2.365 179.966 177.584 0.028 0.000 1.163 3131 A CA 0.826 52.891 52.037 0.046 0.000 0.646 3131 A CB -0.580 18.464 19.000 0.073 0.000 0.806 3131 A HN 0.350 nan 8.150 nan 0.000 0.448 3132 L N -1.226 120.008 121.223 0.019 0.000 2.179 3132 L HA -0.076 4.264 4.340 0.000 0.000 0.208 3132 L C 3.030 179.897 176.870 -0.004 0.000 1.096 3132 L CA 0.783 55.626 54.840 0.004 0.000 0.779 3132 L CB -0.519 41.535 42.059 -0.009 0.000 0.922 3132 L HN 0.423 nan 8.230 nan 0.000 0.443 3133 A N 0.194 123.011 122.820 -0.006 0.000 1.841 3133 A HA -0.181 4.139 4.320 0.000 0.000 0.214 3133 A C 2.377 179.958 177.584 -0.004 0.000 1.195 3133 A CA 1.206 53.237 52.037 -0.010 0.000 0.611 3133 A CB -0.538 18.454 19.000 -0.013 0.000 0.835 3133 A HN 0.219 nan 8.150 nan 0.000 0.443 3134 R N 0.218 120.719 120.500 0.002 0.000 2.154 3134 R HA -0.173 4.167 4.340 0.000 0.000 0.248 3134 R C 2.552 178.857 176.300 0.007 0.000 1.155 3134 R CA 1.811 57.915 56.100 0.006 0.000 0.979 3134 R CB -0.389 29.918 30.300 0.012 0.000 0.869 3134 R HN 0.761 nan 8.270 nan 0.000 0.452 3135 S N -1.164 114.540 115.700 0.008 0.000 2.406 3135 S HA -0.032 4.438 4.470 0.000 0.000 0.228 3135 S C 1.611 176.214 174.600 0.005 0.000 1.020 3135 S CA 0.947 59.152 58.200 0.008 0.000 0.965 3135 S CB 0.004 63.209 63.200 0.009 0.000 0.798 3135 S HN 0.519 nan 8.310 nan 0.000 0.488 3136 G N 0.785 109.586 108.800 0.002 0.000 2.166 3136 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 3136 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 3136 G C 0.847 175.747 174.900 -0.000 0.000 0.986 3136 G CA 0.418 45.518 45.100 0.001 0.000 0.683 3136 G HN 1.277 nan 8.290 nan 0.000 0.527 3137 A N -1.076 121.744 122.820 0.000 0.000 1.984 3137 A HA 0.607 4.927 4.320 0.000 0.000 0.214 3137 A C 1.279 178.861 177.584 -0.003 0.000 1.173 3137 A CA 1.435 53.472 52.037 -0.000 0.000 0.673 3137 A CB 0.314 19.315 19.000 0.003 0.000 0.830 3137 A HN 1.024 nan 8.150 nan 0.000 0.453 3138 V N 1.125 121.035 119.914 -0.006 0.000 2.509 3138 V HA 0.175 4.295 4.120 0.000 0.000 0.284 3138 V C 0.409 176.494 176.094 -0.014 0.000 1.047 3138 V CA -0.347 61.947 62.300 -0.011 0.000 0.952 3138 V CB 1.417 33.230 31.823 -0.016 0.000 0.988 3138 V HN 0.369 nan 8.190 nan 0.000 0.469 3139 D N 1.786 122.177 120.400 -0.015 0.000 2.262 3139 D HA 0.075 4.715 4.640 0.000 0.000 0.212 3139 D C 0.242 176.528 176.300 -0.024 0.000 0.964 3139 D CA 1.122 55.112 54.000 -0.016 0.000 0.875 3139 D CB 1.198 41.989 40.800 -0.014 0.000 0.996 3139 D HN 0.346 nan 8.370 nan 0.000 0.497 3140 V N 1.451 121.347 119.914 -0.030 0.000 2.567 3140 V HA 0.370 4.490 4.120 0.000 0.000 0.298 3140 V C -1.333 174.722 176.094 -0.064 0.000 1.047 3140 V CA -0.685 61.588 62.300 -0.045 0.000 0.880 3140 V CB 1.387 33.187 31.823 -0.038 0.000 1.009 3140 V HN -0.127 nan 8.190 nan 0.000 0.429 3141 I N 6.610 127.119 120.570 -0.103 0.000 2.437 3141 I HA 0.644 4.814 4.170 0.000 0.000 0.298 3141 I C -0.347 175.618 176.117 -0.253 0.000 0.984 3141 I CA -0.877 60.328 61.300 -0.158 0.000 1.214 3141 I CB 1.885 39.782 38.000 -0.171 0.000 1.365 3141 I HN 0.457 nan 8.210 nan 0.000 0.469 3142 V N 6.899 126.611 119.914 -0.337 0.000 2.735 3142 V HA 0.570 4.690 4.120 0.000 0.000 0.310 3142 V C -0.882 174.809 176.094 -0.671 0.000 1.061 3142 V CA -0.477 61.531 62.300 -0.487 0.000 0.913 3142 V CB 2.397 33.951 31.823 -0.449 0.000 1.005 3142 V HN 0.430 nan 8.190 nan 0.000 0.428 3143 V N 5.132 124.653 119.914 -0.655 0.000 2.349 3143 V HA 0.391 4.511 4.120 0.000 0.000 0.284 3143 V C -0.458 175.405 176.094 -0.386 0.000 1.014 3143 V CA -0.613 61.356 62.300 -0.551 0.000 0.826 3143 V CB 1.463 32.934 31.823 -0.586 0.000 1.009 3143 V HN 0.907 nan 8.190 nan 0.000 0.431 3144 D N 3.623 123.781 120.400 -0.403 0.000 2.383 3144 D HA 0.289 4.929 4.640 0.000 0.000 0.245 3144 D C 0.125 176.382 176.300 -0.072 0.000 1.263 3144 D CA 0.887 54.789 54.000 -0.163 0.000 0.936 3144 D CB 0.298 41.125 40.800 0.046 0.000 1.053 3144 D HN 0.677 nan 8.370 nan 0.000 0.507 3145 S N 1.015 116.694 115.700 -0.035 0.000 3.600 3145 S HA -0.149 4.321 4.470 0.000 0.000 0.695 3145 S C 1.184 175.797 174.600 0.022 0.000 0.535 3145 S CA 0.317 58.502 58.200 -0.025 0.000 1.453 3145 S CB -1.242 61.890 63.200 -0.114 0.000 0.928 3145 S HN 0.504 nan 8.310 nan 0.000 1.029 3146 V N 1.715 121.678 119.914 0.080 0.000 2.594 3146 V HA -0.050 4.070 4.120 0.000 0.000 0.253 3146 V C 2.260 178.379 176.094 0.042 0.000 1.069 3146 V CA 2.331 64.690 62.300 0.097 0.000 1.082 3146 V CB -0.935 30.932 31.823 0.074 0.000 0.680 3146 V HN 1.484 nan 8.190 nan 0.000 0.469 3147 A N 0.039 122.868 122.820 0.015 0.000 2.234 3147 A HA 0.287 4.607 4.320 0.000 0.000 0.216 3147 A C 2.137 179.803 177.584 0.138 0.000 1.167 3147 A CA 1.745 53.803 52.037 0.035 0.000 0.698 3147 A CB -0.681 18.307 19.000 -0.020 0.000 0.779 3147 A HN 1.276 nan 8.150 nan 0.000 0.475 3148 A N -1.463 121.422 122.820 0.110 0.000 2.508 3148 A HA 0.516 4.836 4.320 0.000 0.000 0.257 3148 A C 0.233 177.887 177.584 0.117 0.000 1.226 3148 A CA -0.290 51.852 52.037 0.174 0.000 0.947 3148 A CB 0.062 19.134 19.000 0.121 0.000 1.079 3148 A HN 0.226 nan 8.150 nan 0.000 0.531 3149 L N 2.661 123.929 121.223 0.076 0.000 2.391 3149 L HA 0.176 4.516 4.340 0.000 0.000 0.249 3149 L C 0.138 177.032 176.870 0.039 0.000 1.308 3149 L CA 0.631 55.501 54.840 0.050 0.000 1.209 3149 L CB -0.827 41.260 42.059 0.046 0.000 1.401 3149 L HN 0.142 nan 8.230 nan 0.000 0.416 3150 T N 2.248 116.832 114.554 0.050 0.000 2.834 3150 T HA 0.245 4.596 4.350 0.000 0.000 0.298 3150 T C -2.219 172.480 174.700 -0.000 0.000 0.966 3150 T CA -1.165 60.954 62.100 0.031 0.000 1.141 3150 T CB 0.463 69.357 68.868 0.043 0.000 0.905 3150 T HN 0.141 nan 8.240 nan 0.000 0.535 3151 P HA 0.158 nan 4.420 nan 0.000 0.269 3151 P C 0.971 178.229 177.300 -0.071 0.000 1.215 3151 P CA -0.556 62.513 63.100 -0.051 0.000 0.780 3151 P CB 0.797 32.453 31.700 -0.073 0.000 0.898 3152 K N 2.561 122.925 120.400 -0.060 0.000 2.000 3152 K HA -0.270 4.050 4.320 0.000 0.000 0.218 3152 K C 1.921 178.463 176.600 -0.095 0.000 1.053 3152 K CA 2.243 58.499 56.287 -0.050 0.000 0.946 3152 K CB -0.908 31.576 32.500 -0.028 0.000 0.723 3152 K HN 0.462 nan 8.250 nan 0.000 0.446 3153 A N 0.965 123.699 122.820 -0.144 0.000 1.971 3153 A HA -0.303 4.017 4.320 0.000 0.000 0.222 3153 A C 2.012 179.353 177.584 -0.404 0.000 1.182 3153 A CA 2.285 54.182 52.037 -0.233 0.000 0.649 3153 A CB -0.686 18.159 19.000 -0.258 0.000 0.818 3153 A HN 0.646 nan 8.150 nan 0.000 0.458 3154 E N -0.368 119.571 120.200 -0.435 0.000 2.072 3154 E HA -0.115 4.235 4.350 0.000 0.000 0.190 3154 E C 1.898 178.460 176.600 -0.062 0.000 0.982 3154 E CA 1.087 57.283 56.400 -0.341 0.000 0.803 3154 E CB -0.181 29.444 29.700 -0.126 0.000 0.755 3154 E HN 0.704 nan 8.360 nan 0.000 0.453 3155 I N 0.644 121.183 120.570 -0.052 0.000 2.202 3155 I HA -0.229 3.941 4.170 0.000 0.000 0.242 3155 I C 2.256 178.378 176.117 0.008 0.000 1.091 3155 I CA 1.306 62.604 61.300 -0.004 0.000 1.368 3155 I CB -0.455 37.544 38.000 -0.001 0.000 1.058 3155 I HN 0.156 nan 8.210 nan 0.000 0.410 3156 E N 0.935 121.129 120.200 -0.009 0.000 2.106 3156 E HA -0.052 4.298 4.350 0.000 0.000 0.192 3156 E C 1.364 177.983 176.600 0.031 0.000 0.984 3156 E CA 0.667 57.071 56.400 0.007 0.000 0.806 3156 E CB -0.196 29.501 29.700 -0.005 0.000 0.750 3156 E HN 0.509 nan 8.360 nan 0.000 0.458 3157 G N 0.792 109.619 108.800 0.046 0.000 2.684 3157 G HA2 0.025 3.985 3.960 0.000 0.000 0.255 3157 G HA3 0.025 3.985 3.960 0.000 0.000 0.255 3157 G C -0.329 174.655 174.900 0.141 0.000 1.219 3157 G CA -0.517 44.666 45.100 0.138 0.000 0.901 3157 G HN 0.060 nan 8.290 nan 0.000 0.548 3158 E N -1.173 119.109 120.200 0.137 0.000 2.369 3158 E HA 0.213 4.563 4.350 0.000 0.000 0.255 3158 E C -0.032 176.632 176.600 0.106 0.000 1.172 3158 E CA -0.266 56.199 56.400 0.109 0.000 0.932 3158 E CB 1.249 31.006 29.700 0.095 0.000 1.040 3158 E HN 0.292 nan 8.360 nan 0.000 0.454 3159 I N 1.251 121.871 120.570 0.083 0.000 2.436 3159 I HA 0.206 4.376 4.170 0.000 0.000 0.289 3159 I C 1.131 177.265 176.117 0.028 0.000 1.083 3159 I CA 0.487 61.819 61.300 0.052 0.000 1.372 3159 I CB 0.265 38.289 38.000 0.039 0.000 1.408 3159 I HN 0.845 nan 8.210 nan 0.000 0.516 3160 G N 3.825 112.621 108.800 -0.006 0.000 2.229 3160 G HA2 -0.189 3.771 3.960 0.000 0.000 0.189 3160 G HA3 -0.189 3.771 3.960 0.000 0.000 0.189 3160 G C -0.092 174.760 174.900 -0.079 0.000 1.000 3160 G CA -0.681 44.399 45.100 -0.033 0.000 0.663 3160 G HN 0.536 nan 8.290 nan 0.000 0.493 3161 D N 1.960 122.290 120.400 -0.116 0.000 2.383 3161 D HA 0.453 5.093 4.640 0.000 0.000 0.252 3161 D C 0.967 176.953 176.300 -0.522 0.000 1.166 3161 D CA 0.740 54.572 54.000 -0.280 0.000 0.879 3161 D CB 1.317 41.965 40.800 -0.254 0.000 1.164 3161 D HN 0.444 nan 8.370 nan 0.000 0.462 3162 S N 3.107 118.574 115.700 -0.387 0.000 2.423 3162 S HA 0.102 4.572 4.470 0.000 0.000 0.302 3162 S C 0.042 174.421 174.600 -0.369 0.000 1.143 3162 S CA -0.645 57.378 58.200 -0.295 0.000 1.080 3162 S CB 0.064 63.184 63.200 -0.133 0.000 1.081 3162 S HN 0.313 nan 8.310 nan 0.000 0.522 3163 H N 3.665 122.734 119.070 -0.000 0.000 2.432 3163 H HA 0.249 4.805 4.556 0.000 0.000 0.226 3163 H C -0.074 175.252 175.328 -0.004 0.000 1.634 3163 H CA -0.695 55.352 56.048 -0.001 0.000 1.253 3163 H CB -0.019 29.742 29.762 -0.001 0.000 1.584 3163 H HN 0.501 nan 8.280 nan 0.000 0.545 3164 M N 0.923 120.556 119.600 0.055 0.000 2.364 3164 M HA 0.069 4.549 4.480 0.000 0.000 0.342 3164 M C 1.202 177.524 176.300 0.037 0.000 1.601 3164 M CA 0.420 55.739 55.300 0.031 0.000 1.156 3164 M CB -0.249 32.357 32.600 0.010 0.000 1.912 3164 M HN 0.857 nan 8.290 nan 0.000 0.460 3165 G N 4.026 112.845 108.800 0.031 0.000 2.341 3165 G HA2 -0.267 3.693 3.960 0.000 0.000 0.292 3165 G HA3 -0.267 3.693 3.960 0.000 0.000 0.292 3165 G C 0.844 175.756 174.900 0.021 0.000 1.021 3165 G CA 0.538 45.649 45.100 0.019 0.000 0.905 3165 G HN 0.760 nan 8.290 nan 0.000 0.508 3166 L N -0.743 120.504 121.223 0.040 0.000 2.109 3166 L HA 0.176 4.516 4.340 0.000 0.000 0.207 3166 L C 3.092 179.963 176.870 0.002 0.000 1.086 3166 L CA 1.910 56.764 54.840 0.025 0.000 0.760 3166 L CB -0.398 41.683 42.059 0.037 0.000 0.910 3166 L HN 0.463 nan 8.230 nan 0.000 0.437 3167 A N 0.002 122.826 122.820 0.007 0.000 1.873 3167 A HA -0.306 4.014 4.320 0.000 0.000 0.218 3167 A C 2.432 180.003 177.584 -0.021 0.000 1.193 3167 A CA 2.143 54.177 52.037 -0.006 0.000 0.629 3167 A CB -1.010 17.991 19.000 0.001 0.000 0.826 3167 A HN 0.532 nan 8.150 nan 0.000 0.447 3168 A N 0.477 123.285 122.820 -0.019 0.000 1.858 3168 A HA -0.187 4.133 4.320 0.000 0.000 0.216 3168 A C 2.242 179.803 177.584 -0.038 0.000 1.190 3168 A CA 1.978 53.997 52.037 -0.030 0.000 0.617 3168 A CB -0.606 18.383 19.000 -0.018 0.000 0.827 3168 A HN 0.720 nan 8.150 nan 0.000 0.443 3169 R N -0.578 119.906 120.500 -0.026 0.000 2.241 3169 R HA -0.027 4.313 4.340 0.000 0.000 0.224 3169 R C 1.974 178.253 176.300 -0.036 0.000 1.101 3169 R CA 1.604 57.687 56.100 -0.028 0.000 0.995 3169 R CB -0.472 29.817 30.300 -0.017 0.000 0.870 3169 R HN 0.566 nan 8.270 nan 0.000 0.463 3170 M N 0.132 119.709 119.600 -0.037 0.000 2.160 3170 M HA -0.065 4.415 4.480 0.000 0.000 0.264 3170 M C 1.908 178.171 176.300 -0.061 0.000 1.073 3170 M CA 1.310 56.586 55.300 -0.039 0.000 1.142 3170 M CB 0.049 32.630 32.600 -0.032 0.000 1.358 3170 M HN 0.224 nan 8.290 nan 0.000 0.422 3171 M N -0.456 119.096 119.600 -0.080 0.000 2.080 3171 M HA -0.189 4.291 4.480 0.000 0.000 0.260 3171 M C 2.413 178.607 176.300 -0.176 0.000 1.068 3171 M CA 1.702 56.920 55.300 -0.136 0.000 1.109 3171 M CB -1.340 31.169 32.600 -0.151 0.000 1.342 3171 M HN 0.359 nan 8.290 nan 0.000 0.405 3172 S N -0.358 115.261 115.700 -0.135 0.000 2.419 3172 S HA -0.175 4.295 4.470 0.000 0.000 0.233 3172 S C 1.847 176.361 174.600 -0.144 0.000 1.016 3172 S CA 1.234 59.343 58.200 -0.151 0.000 0.974 3172 S CB -0.122 63.031 63.200 -0.078 0.000 0.786 3172 S HN 0.517 nan 8.310 nan 0.000 0.492 3173 Q N -0.239 119.507 119.800 -0.091 0.000 2.137 3173 Q HA 0.046 4.386 4.340 0.000 0.000 0.198 3173 Q C 2.192 178.150 176.000 -0.069 0.000 0.960 3173 Q CA 1.034 56.809 55.803 -0.047 0.000 0.847 3173 Q CB -0.288 28.447 28.738 -0.005 0.000 0.915 3173 Q HN 0.658 nan 8.270 nan 0.000 0.448 3174 A N 0.876 123.637 122.820 -0.098 0.000 1.855 3174 A HA -0.171 4.149 4.320 0.000 0.000 0.215 3174 A C 2.036 179.528 177.584 -0.153 0.000 1.191 3174 A CA 1.283 53.271 52.037 -0.082 0.000 0.613 3174 A CB -0.436 18.531 19.000 -0.054 0.000 0.829 3174 A HN 0.329 nan 8.150 nan 0.000 0.442 3175 M N -0.646 118.750 119.600 -0.340 0.000 2.082 3175 M HA -0.189 4.291 4.480 0.000 0.000 0.258 3175 M C 2.163 178.169 176.300 -0.490 0.000 1.071 3175 M CA 1.913 56.823 55.300 -0.651 0.000 1.103 3175 M CB -1.459 30.285 32.600 -1.427 0.000 1.307 3175 M HN 0.498 nan 8.290 nan 0.000 0.409 3176 R N 0.296 120.568 120.500 -0.380 0.000 2.159 3176 R HA -0.244 4.096 4.340 0.000 0.000 0.249 3176 R C 2.246 178.579 176.300 0.055 0.000 1.136 3176 R CA 2.341 58.442 56.100 0.002 0.000 0.951 3176 R CB -0.142 30.167 30.300 0.015 0.000 0.876 3176 R HN 0.413 nan 8.270 nan 0.000 0.440 3177 K N -0.139 120.260 120.400 -0.002 0.000 2.031 3177 K HA -0.086 4.234 4.320 0.000 0.000 0.205 3177 K C 2.208 178.814 176.600 0.009 0.000 1.049 3177 K CA 1.244 57.540 56.287 0.015 0.000 0.939 3177 K CB -0.116 32.393 32.500 0.014 0.000 0.717 3177 K HN 0.170 nan 8.250 nan 0.000 0.438 3178 L N 0.659 121.883 121.223 0.002 0.000 2.027 3178 L HA -0.164 4.176 4.340 0.000 0.000 0.206 3178 L C 2.592 179.460 176.870 -0.004 0.000 1.074 3178 L CA 1.069 55.916 54.840 0.012 0.000 0.745 3178 L CB -0.568 41.519 42.059 0.047 0.000 0.898 3178 L HN 0.212 nan 8.230 nan 0.000 0.433 3179 A N 0.356 123.207 122.820 0.052 0.000 1.917 3179 A HA -0.217 4.103 4.320 0.000 0.000 0.219 3179 A C 2.368 179.738 177.584 -0.357 0.000 1.182 3179 A CA 2.066 54.125 52.037 0.036 0.000 0.633 3179 A CB -1.410 17.763 19.000 0.289 0.000 0.819 3179 A HN 0.476 nan 8.150 nan 0.000 0.448 3180 G N -0.265 108.242 108.800 -0.488 0.000 2.453 3180 G HA2 -0.298 3.662 3.960 0.000 0.000 0.215 3180 G HA3 -0.298 3.662 3.960 0.000 0.000 0.215 3180 G C 1.386 176.053 174.900 -0.388 0.000 1.201 3180 G CA 1.058 45.664 45.100 -0.822 0.000 0.784 3180 G HN 0.729 nan 8.290 nan 0.000 0.545 3181 N N 0.004 118.602 118.700 -0.171 0.000 2.443 3181 N HA 0.026 4.766 4.740 0.000 0.000 0.184 3181 N C 2.108 177.574 175.510 -0.074 0.000 1.037 3181 N CA 0.140 53.141 53.050 -0.082 0.000 0.896 3181 N CB -0.057 38.409 38.487 -0.036 0.000 0.959 3181 N HN 0.271 nan 8.380 nan 0.000 0.442 3182 L N 0.417 121.582 121.223 -0.098 0.000 2.102 3182 L HA -0.057 4.283 4.340 0.000 0.000 0.202 3182 L C 2.410 179.255 176.870 -0.042 0.000 1.076 3182 L CA 0.834 55.644 54.840 -0.050 0.000 0.761 3182 L CB -0.162 41.886 42.059 -0.018 0.000 0.921 3182 L HN 0.003 nan 8.230 nan 0.000 0.444 3183 K N 0.633 120.986 120.400 -0.077 0.000 2.057 3183 K HA -0.167 4.153 4.320 0.000 0.000 0.206 3183 K C 1.954 178.572 176.600 0.031 0.000 1.050 3183 K CA 1.534 57.832 56.287 0.018 0.000 0.935 3183 K CB -0.131 32.464 32.500 0.158 0.000 0.715 3183 K HN 0.186 nan 8.250 nan 0.000 0.439 3184 Q N -0.543 119.261 119.800 0.007 0.000 2.482 3184 Q HA 0.095 4.435 4.340 0.000 0.000 0.209 3184 Q C 0.486 176.493 176.000 0.012 0.000 0.961 3184 Q CA 0.725 56.544 55.803 0.027 0.000 0.945 3184 Q CB 0.383 29.142 28.738 0.034 0.000 1.012 3184 Q HN 0.172 nan 8.270 nan 0.000 0.515 3185 S N -0.280 115.421 115.700 0.000 0.000 2.603 3185 S HA 0.068 4.538 4.470 0.000 0.000 0.232 3185 S C 0.206 174.807 174.600 0.002 0.000 1.016 3185 S CA -0.319 57.881 58.200 0.000 0.000 0.976 3185 S CB 0.357 63.553 63.200 -0.007 0.000 0.921 3185 S HN 0.421 nan 8.310 nan 0.000 0.516 3186 N N 2.357 121.061 118.700 0.007 0.000 2.701 3186 N HA -0.145 4.595 4.740 0.000 0.000 0.250 3186 N C -1.041 174.470 175.510 0.001 0.000 1.046 3186 N CA 0.914 53.969 53.050 0.009 0.000 0.733 3186 N CB -1.251 37.242 38.487 0.010 0.000 0.973 3186 N HN 0.269 nan 8.380 nan 0.000 0.541 3187 T N 0.892 115.443 114.554 -0.004 0.000 2.728 3187 T HA 0.361 4.711 4.350 0.000 0.000 0.296 3187 T C 0.228 174.921 174.700 -0.012 0.000 0.940 3187 T CA -0.633 61.459 62.100 -0.013 0.000 1.013 3187 T CB 1.035 69.892 68.868 -0.018 0.000 0.912 3187 T HN 0.275 nan 8.240 nan 0.000 0.484 3188 L N 5.219 126.431 121.223 -0.018 0.000 2.319 3188 L HA 0.524 4.864 4.340 0.000 0.000 0.280 3188 L C -0.807 176.037 176.870 -0.042 0.000 1.099 3188 L CA -0.194 54.636 54.840 -0.017 0.000 0.828 3188 L CB 0.251 42.299 42.059 -0.019 0.000 1.150 3188 L HN 0.610 nan 8.230 nan 0.000 0.442 3189 L N 6.680 127.885 121.223 -0.030 0.000 2.305 3189 L HA 0.532 4.872 4.340 0.000 0.000 0.284 3189 L C -0.785 176.037 176.870 -0.080 0.000 1.013 3189 L CA -0.416 54.369 54.840 -0.092 0.000 0.819 3189 L CB 1.202 43.233 42.059 -0.046 0.000 1.227 3189 L HN 0.671 nan 8.230 nan 0.000 0.417 3190 I N 4.211 124.666 120.570 -0.192 0.000 2.377 3190 I HA 0.308 4.478 4.170 0.000 0.000 0.293 3190 I C -0.879 175.061 176.117 -0.295 0.000 0.987 3190 I CA -0.310 60.908 61.300 -0.136 0.000 1.185 3190 I CB 1.436 39.367 38.000 -0.115 0.000 1.341 3190 I HN 0.379 nan 8.210 nan 0.000 0.455 3191 F N 6.312 126.224 119.950 -0.062 0.000 2.427 3191 F HA 0.511 5.038 4.527 0.000 0.000 0.346 3191 F C 0.261 176.035 175.800 -0.043 0.000 1.120 3191 F CA -0.486 57.477 58.000 -0.063 0.000 1.033 3191 F CB 1.271 40.251 39.000 -0.035 0.000 1.126 3191 F HN 0.188 nan 8.300 nan 0.000 0.462 3192 I N 3.258 123.882 120.570 0.089 0.000 2.440 3192 I HA 0.287 4.457 4.170 0.000 0.000 0.294 3192 I C -0.234 175.953 176.117 0.118 0.000 0.995 3192 I CA -0.197 61.155 61.300 0.086 0.000 1.306 3192 I CB 1.330 39.352 38.000 0.035 0.000 1.407 3192 I HN 0.656 nan 8.210 nan 0.000 0.501 3193 N N 3.460 122.235 118.700 0.125 0.000 2.525 3193 N HA 0.389 5.129 4.740 0.000 0.000 0.270 3193 N C -1.478 174.047 175.510 0.026 0.000 1.321 3193 N CA -0.713 52.379 53.050 0.069 0.000 0.797 3193 N CB 1.935 40.471 38.487 0.082 0.000 1.529 3193 N HN 0.555 nan 8.380 nan 0.000 0.491 3194 Q N 0.753 120.450 119.800 -0.171 0.000 2.195 3194 Q HA 0.517 4.857 4.340 0.000 0.000 0.250 3194 Q C -0.581 175.216 176.000 -0.339 0.000 0.988 3194 Q CA -0.704 54.801 55.803 -0.497 0.000 0.911 3194 Q CB 2.070 30.095 28.738 -1.188 0.000 1.258 3194 Q HN 0.465 nan 8.270 nan 0.000 0.475 3195 I N 1.496 121.895 120.570 -0.286 0.000 2.385 3195 I HA 0.389 4.559 4.170 0.000 0.000 0.294 3195 I C -0.065 175.991 176.117 -0.102 0.000 0.988 3195 I CA -0.608 60.645 61.300 -0.079 0.000 1.265 3195 I CB 0.668 38.758 38.000 0.150 0.000 1.388 3195 I HN 0.343 nan 8.210 nan 0.000 0.480 3196 R N 5.138 125.581 120.500 -0.096 0.000 2.808 3196 R HA 0.639 4.979 4.340 0.000 0.000 0.272 3196 R C -1.299 174.975 176.300 -0.044 0.000 0.995 3196 R CA -1.263 54.804 56.100 -0.055 0.000 0.917 3196 R CB 2.070 32.326 30.300 -0.073 0.000 1.217 3196 R HN 0.444 nan 8.270 nan 0.000 0.471 3197 M N 1.943 121.529 119.600 -0.022 0.000 2.300 3197 M HA 0.324 4.804 4.480 0.000 0.000 0.348 3197 M C 0.077 176.365 176.300 -0.019 0.000 1.151 3197 M CA -0.323 54.962 55.300 -0.024 0.000 1.046 3197 M CB 1.327 33.918 32.600 -0.014 0.000 1.647 3197 M HN 0.216 nan 8.290 nan 0.000 0.451 3198 K N 4.118 124.508 120.400 -0.016 0.000 2.248 3198 K HA 0.475 4.795 4.320 0.000 0.000 0.281 3198 K C -0.431 176.173 176.600 0.005 0.000 1.054 3198 K CA -0.492 55.795 56.287 0.000 0.000 0.903 3198 K CB 0.219 32.730 32.500 0.018 0.000 1.077 3198 K HN 0.817 nan 8.250 nan 0.000 0.474 3199 I N -0.819 119.755 120.570 0.006 0.000 2.938 3199 I HA 0.268 4.438 4.170 0.000 0.000 0.285 3199 I C 1.012 177.138 176.117 0.014 0.000 1.182 3199 I CA 0.574 61.877 61.300 0.006 0.000 1.388 3199 I CB 0.384 38.388 38.000 0.006 0.000 1.390 3199 I HN 0.917 nan 8.210 nan 0.000 0.600 3200 G N 3.102 111.909 108.800 0.012 0.000 2.175 3200 G HA2 -0.229 3.731 3.960 0.000 0.000 0.265 3200 G HA3 -0.229 3.731 3.960 0.000 0.000 0.265 3200 G C 0.102 175.022 174.900 0.034 0.000 0.979 3200 G CA 0.287 45.397 45.100 0.018 0.000 0.663 3200 G HN 0.802 nan 8.290 nan 0.000 0.533 3201 V N 2.277 122.216 119.914 0.042 0.000 2.439 3201 V HA 0.663 4.783 4.120 0.000 0.000 0.282 3201 V C 1.266 177.396 176.094 0.059 0.000 1.039 3201 V CA 0.083 62.435 62.300 0.086 0.000 0.913 3201 V CB 1.485 33.400 31.823 0.153 0.000 0.983 3201 V HN 0.443 nan 8.190 nan 0.000 0.460 3202 M N 6.592 126.255 119.600 0.104 0.000 2.308 3202 M HA 0.271 4.751 4.480 0.000 0.000 0.269 3202 M C 0.098 176.462 176.300 0.107 0.000 1.040 3202 M CA 0.284 55.628 55.300 0.073 0.000 1.024 3202 M CB -0.139 32.501 32.600 0.067 0.000 1.465 3202 M HN 0.474 nan 8.290 nan 0.000 0.517 3203 F N 1.080 121.027 119.950 -0.004 0.000 2.362 3203 F HA 0.707 5.234 4.527 0.000 0.000 0.311 3203 F C 1.396 177.195 175.800 -0.003 0.000 1.161 3203 F CA 0.166 58.165 58.000 -0.003 0.000 1.085 3203 F CB -0.147 38.851 39.000 -0.003 0.000 1.311 3203 F HN 0.280 nan 8.300 nan 0.000 0.524 3204 G N 1.968 110.492 108.800 -0.460 0.000 2.808 3204 G HA2 -0.382 3.578 3.960 0.000 0.000 0.470 3204 G HA3 -0.382 3.578 3.960 0.000 0.000 0.470 3204 G C -0.381 174.195 174.900 -0.540 0.000 1.041 3204 G CA 1.197 45.936 45.100 -0.601 0.000 0.839 3204 G HN 1.393 nan 8.290 nan 0.000 0.825 3205 N N 1.050 119.381 118.700 -0.616 0.000 2.295 3205 N HA 0.508 5.248 4.740 0.000 0.000 0.293 3205 N C -2.749 172.568 175.510 -0.322 0.000 1.040 3205 N CA -2.157 50.680 53.050 -0.356 0.000 0.840 3205 N CB 1.983 40.349 38.487 -0.202 0.000 1.468 3205 N HN 0.166 nan 8.380 nan 0.000 0.478 3206 P HA 0.118 nan 4.420 nan 0.000 0.256 3206 P C -0.547 176.696 177.300 -0.094 0.000 1.335 3206 P CA 0.336 63.359 63.100 -0.127 0.000 0.808 3206 P CB 0.128 31.777 31.700 -0.085 0.000 1.305 3207 E N 0.171 120.303 120.200 -0.112 0.000 2.313 3207 E HA 0.312 4.662 4.350 0.000 0.000 0.276 3207 E C -0.073 176.443 176.600 -0.141 0.000 1.031 3207 E CA 0.354 56.688 56.400 -0.110 0.000 0.857 3207 E CB 0.884 30.521 29.700 -0.105 0.000 1.040 3207 E HN 0.080 nan 8.360 nan 0.000 0.408 3208 T N 0.728 115.183 114.554 -0.165 0.000 2.787 3208 T HA 0.308 4.658 4.350 0.000 0.000 0.297 3208 T C -0.313 174.230 174.700 -0.262 0.000 1.221 3208 T CA -0.675 61.312 62.100 -0.189 0.000 1.006 3208 T CB 1.907 70.716 68.868 -0.099 0.000 1.328 3208 T HN 0.318 nan 8.240 nan 0.000 0.509 3209 T N 0.927 115.337 114.554 -0.240 0.000 2.952 3209 T HA 0.635 4.985 4.350 0.000 0.000 0.286 3209 T C -0.153 174.473 174.700 -0.123 0.000 1.024 3209 T CA -0.333 61.640 62.100 -0.212 0.000 1.029 3209 T CB 0.943 69.696 68.868 -0.192 0.000 1.094 3209 T HN 0.640 nan 8.240 nan 0.000 0.515 3210 T N 0.858 115.349 114.554 -0.106 0.000 2.847 3210 T HA 0.533 4.883 4.350 0.000 0.000 0.279 3210 T C 1.072 175.734 174.700 -0.063 0.000 0.984 3210 T CA 0.317 62.372 62.100 -0.075 0.000 0.988 3210 T CB 0.654 69.482 68.868 -0.068 0.000 1.040 3210 T HN 1.159 nan 8.240 nan 0.000 0.528 3211 G N 0.322 109.092 108.800 -0.050 0.000 2.198 3211 G HA2 0.180 4.140 3.960 0.000 0.000 0.257 3211 G HA3 0.180 4.140 3.960 0.000 0.000 0.257 3211 G C 0.668 175.535 174.900 -0.055 0.000 1.042 3211 G CA 0.157 45.222 45.100 -0.059 0.000 0.791 3211 G HN 1.649 nan 8.290 nan 0.000 0.502 3212 G N -0.749 108.032 108.800 -0.032 0.000 2.914 3212 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 3212 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 3212 G C 0.858 175.770 174.900 0.020 0.000 1.449 3212 G CA 0.446 45.542 45.100 -0.007 0.000 0.925 3212 G HN 0.876 nan 8.290 nan 0.000 0.555 3213 N N 0.456 119.201 118.700 0.075 0.000 2.289 3213 N HA -0.107 4.633 4.740 0.000 0.000 0.184 3213 N C 2.784 178.455 175.510 0.269 0.000 1.016 3213 N CA 1.303 54.465 53.050 0.186 0.000 0.872 3213 N CB -0.205 38.459 38.487 0.294 0.000 0.973 3213 N HN 0.855 nan 8.380 nan 0.000 0.433 3214 A N 2.115 125.015 122.820 0.134 0.000 1.893 3214 A HA -0.256 4.064 4.320 0.000 0.000 0.222 3214 A C 2.102 179.784 177.584 0.163 0.000 1.309 3214 A CA 1.579 53.673 52.037 0.096 0.000 0.681 3214 A CB -1.158 17.801 19.000 -0.068 0.000 0.842 3214 A HN 0.259 nan 8.150 nan 0.000 0.468 3215 L N -0.069 121.157 121.223 0.004 0.000 1.963 3215 L HA -0.243 4.097 4.340 0.000 0.000 0.220 3215 L C 2.359 179.308 176.870 0.131 0.000 1.076 3215 L CA 2.709 57.522 54.840 -0.046 0.000 0.772 3215 L CB -1.054 40.904 42.059 -0.167 0.000 0.892 3215 L HN 0.531 nan 8.230 nan 0.000 0.435 3216 K N -1.387 119.086 120.400 0.122 0.000 2.117 3216 K HA -0.284 4.036 4.320 0.000 0.000 0.215 3216 K C 1.999 178.620 176.600 0.035 0.000 1.053 3216 K CA 2.343 58.660 56.287 0.049 0.000 0.935 3216 K CB -0.575 31.898 32.500 -0.045 0.000 0.719 3216 K HN 0.259 nan 8.250 nan 0.000 0.460 3217 F N -0.773 119.242 119.950 0.109 0.000 2.128 3217 F HA -0.092 4.435 4.527 0.000 0.000 0.295 3217 F C 2.246 178.084 175.800 0.063 0.000 1.100 3217 F CA 1.072 59.120 58.000 0.080 0.000 1.260 3217 F CB -0.671 38.374 39.000 0.076 0.000 1.009 3217 F HN -0.006 nan 8.300 nan 0.000 0.476 3218 Y N 0.371 120.805 120.300 0.224 0.000 2.274 3218 Y HA 0.036 4.586 4.550 0.000 0.000 0.290 3218 Y C 1.771 177.726 175.900 0.092 0.000 1.145 3218 Y CA 0.109 58.289 58.100 0.134 0.000 1.203 3218 Y CB -0.808 37.702 38.460 0.083 0.000 0.984 3218 Y HN -0.074 nan 8.280 nan 0.000 0.533 3219 A N -0.011 122.938 122.820 0.214 0.000 2.567 3219 A HA 0.032 4.352 4.320 0.000 0.000 0.240 3219 A C 1.233 178.857 177.584 0.067 0.000 1.053 3219 A CA 0.705 52.814 52.037 0.121 0.000 0.755 3219 A CB 0.038 19.084 19.000 0.076 0.000 0.978 3219 A HN 0.374 nan 8.150 nan 0.000 0.507 3220 S N 0.614 116.343 115.700 0.049 0.000 2.503 3220 S HA 0.224 4.695 4.470 0.000 0.000 0.217 3220 S C 0.273 174.849 174.600 -0.040 0.000 0.999 3220 S CA 0.336 58.539 58.200 0.005 0.000 0.914 3220 S CB 0.162 63.371 63.200 0.015 0.000 0.782 3220 S HN 0.560 nan 8.310 nan 0.000 0.520 3221 V N 2.339 122.234 119.914 -0.033 0.000 2.733 3221 V HA 0.453 4.573 4.120 0.000 0.000 0.306 3221 V C -0.880 175.171 176.094 -0.072 0.000 1.084 3221 V CA -0.805 61.450 62.300 -0.074 0.000 0.905 3221 V CB 2.167 33.946 31.823 -0.074 0.000 1.010 3221 V HN 0.129 nan 8.190 nan 0.000 0.424 3222 R N 4.168 124.593 120.500 -0.125 0.000 2.480 3222 R HA 0.659 4.999 4.340 0.000 0.000 0.306 3222 R C -1.832 174.305 176.300 -0.272 0.000 0.958 3222 R CA -0.905 55.105 56.100 -0.149 0.000 0.861 3222 R CB 2.238 32.489 30.300 -0.082 0.000 1.171 3222 R HN 0.336 nan 8.270 nan 0.000 0.445 3223 L N 2.765 123.767 121.223 -0.368 0.000 2.343 3223 L HA 0.242 4.582 4.340 0.000 0.000 0.278 3223 L C -0.275 176.213 176.870 -0.637 0.000 0.996 3223 L CA -0.486 54.127 54.840 -0.378 0.000 0.831 3223 L CB 1.472 43.410 42.059 -0.202 0.000 1.232 3223 L HN 0.490 nan 8.230 nan 0.000 0.413 3224 D N 4.919 125.008 120.400 -0.518 0.000 2.456 3224 D HA 0.158 4.798 4.640 0.000 0.000 0.219 3224 D C -0.189 176.029 176.300 -0.137 0.000 1.126 3224 D CA -0.187 53.572 54.000 -0.401 0.000 0.890 3224 D CB 0.644 41.354 40.800 -0.150 0.000 1.025 3224 D HN 0.474 nan 8.370 nan 0.000 0.511 3225 I N 3.054 123.574 120.570 -0.083 0.000 2.532 3225 I HA 0.407 4.577 4.170 0.000 0.000 0.292 3225 I C -0.487 175.648 176.117 0.030 0.000 1.014 3225 I CA -0.470 60.830 61.300 0.000 0.000 1.340 3225 I CB 0.532 38.558 38.000 0.042 0.000 1.422 3225 I HN 0.250 nan 8.210 nan 0.000 0.528 3226 R N 4.939 125.441 120.500 0.003 0.000 2.680 3226 R HA 0.386 4.726 4.340 0.000 0.000 0.269 3226 R C -1.231 175.056 176.300 -0.022 0.000 1.026 3226 R CA -0.940 55.165 56.100 0.009 0.000 0.889 3226 R CB 1.809 32.113 30.300 0.007 0.000 1.241 3226 R HN 0.569 nan 8.270 nan 0.000 0.463 3227 R N 3.035 123.541 120.500 0.010 0.000 2.221 3227 R HA 0.231 4.571 4.340 0.000 0.000 0.327 3227 R C 0.744 177.046 176.300 0.004 0.000 1.033 3227 R CA 0.032 56.137 56.100 0.008 0.000 0.887 3227 R CB 0.498 30.841 30.300 0.072 0.000 1.057 3227 R HN 0.676 nan 8.270 nan 0.000 0.455 3228 I N 0.417 120.969 120.570 -0.031 0.000 3.939 3228 I HA 0.453 4.623 4.170 0.000 0.000 0.313 3228 I C 0.768 176.879 176.117 -0.010 0.000 1.274 3228 I CA -0.179 61.111 61.300 -0.018 0.000 1.301 3228 I CB 0.784 38.761 38.000 -0.038 0.000 1.105 3228 I HN 0.584 nan 8.210 nan 0.000 0.427 3229 G N 0.779 109.557 108.800 -0.036 0.000 2.619 3229 G HA2 0.729 4.689 3.960 0.000 0.000 0.305 3229 G HA3 0.729 4.689 3.960 0.000 0.000 0.305 3229 G C -1.917 172.925 174.900 -0.095 0.000 1.330 3229 G CA -0.220 44.850 45.100 -0.051 0.000 0.789 3229 G HN 0.282 nan 8.290 nan 0.000 0.487 3230 A N -0.993 121.756 122.820 -0.119 0.000 2.306 3230 A HA 0.777 5.097 4.320 0.000 0.000 0.330 3230 A C -0.665 176.845 177.584 -0.125 0.000 1.146 3230 A CA -0.558 51.379 52.037 -0.166 0.000 0.827 3230 A CB 1.669 20.543 19.000 -0.209 0.000 1.178 3230 A HN 1.325 nan 8.150 nan 0.000 0.490 3231 V N 2.627 122.458 119.914 -0.138 0.000 2.357 3231 V HA 0.347 4.467 4.120 0.000 0.000 0.284 3231 V C -0.147 175.890 176.094 -0.096 0.000 1.018 3231 V CA -0.538 61.694 62.300 -0.113 0.000 0.841 3231 V CB 1.008 32.752 31.823 -0.131 0.000 0.991 3231 V HN 0.830 nan 8.190 nan 0.000 0.437 3232 K N 3.346 123.706 120.400 -0.067 0.000 2.244 3232 K HA 0.451 4.771 4.320 0.000 0.000 0.260 3232 K C -0.154 176.428 176.600 -0.031 0.000 0.951 3232 K CA -0.641 55.618 56.287 -0.046 0.000 0.826 3232 K CB 2.247 34.722 32.500 -0.042 0.000 1.108 3232 K HN 0.514 nan 8.250 nan 0.000 0.433 3233 E N 2.092 122.281 120.200 -0.018 0.000 2.351 3233 E HA 0.062 4.412 4.350 0.000 0.000 0.236 3233 E C 0.939 177.536 176.600 -0.005 0.000 1.341 3233 E CA 0.012 56.406 56.400 -0.010 0.000 1.579 3233 E CB 0.193 29.893 29.700 0.001 0.000 1.393 3233 E HN 1.052 nan 8.360 nan 0.000 0.438 3234 G N 1.979 110.773 108.800 -0.009 0.000 5.356 3234 G HA2 -0.391 3.569 3.960 0.000 0.000 0.309 3234 G HA3 -0.391 3.569 3.960 0.000 0.000 0.309 3234 G C 1.096 175.995 174.900 -0.001 0.000 1.451 3234 G CA 0.374 45.471 45.100 -0.005 0.000 0.978 3234 G HN 0.379 nan 8.290 nan 0.000 0.771 3235 E N 1.584 121.788 120.200 0.007 0.000 2.045 3235 E HA 0.051 4.401 4.350 0.000 0.000 0.190 3235 E C 1.133 177.746 176.600 0.022 0.000 0.968 3235 E CA 0.362 56.771 56.400 0.015 0.000 0.813 3235 E CB -0.391 29.320 29.700 0.019 0.000 0.780 3235 E HN 0.673 nan 8.360 nan 0.000 0.455 3236 N N 1.144 119.861 118.700 0.027 0.000 2.492 3236 N HA 0.080 4.820 4.740 0.000 0.000 0.262 3236 N C -0.735 174.799 175.510 0.041 0.000 1.202 3236 N CA -0.240 52.836 53.050 0.045 0.000 0.926 3236 N CB 1.345 39.861 38.487 0.048 0.000 1.078 3236 N HN -0.157 nan 8.380 nan 0.000 0.454 3237 V N 2.950 122.906 119.914 0.071 0.000 2.385 3237 V HA 0.071 4.191 4.120 0.000 0.000 0.269 3237 V C 0.679 176.869 176.094 0.160 0.000 1.043 3237 V CA -0.071 62.267 62.300 0.064 0.000 0.906 3237 V CB 1.291 33.137 31.823 0.038 0.000 0.995 3237 V HN 0.550 nan 8.190 nan 0.000 0.467 3238 V N 4.127 124.077 119.914 0.061 0.000 3.548 3238 V HA 0.597 4.717 4.120 0.000 0.000 0.279 3238 V C 0.733 176.579 176.094 -0.414 0.000 1.446 3238 V CA 0.973 63.284 62.300 0.018 0.000 1.023 3238 V CB 0.671 32.487 31.823 -0.012 0.000 0.820 3238 V HN 0.865 nan 8.190 nan 0.000 0.438 3239 G N -0.659 107.854 108.800 -0.477 0.000 2.719 3239 G HA2 0.472 4.432 3.960 0.000 0.000 0.298 3239 G HA3 0.472 4.432 3.960 0.000 0.000 0.298 3239 G C -1.093 173.563 174.900 -0.407 0.000 1.411 3239 G CA -0.264 44.394 45.100 -0.736 0.000 0.991 3239 G HN -0.013 nan 8.290 nan 0.000 0.509 3240 S N 0.770 116.276 115.700 -0.323 0.000 2.473 3240 S HA 0.230 4.700 4.470 0.000 0.000 0.312 3240 S C 0.253 174.784 174.600 -0.114 0.000 1.087 3240 S CA -0.298 57.893 58.200 -0.014 0.000 1.077 3240 S CB 0.839 64.160 63.200 0.202 0.000 1.065 3240 S HN 0.624 nan 8.310 nan 0.000 0.510 3241 E N 2.872 122.997 120.200 -0.124 0.000 2.493 3241 E HA 0.080 4.430 4.350 0.000 0.000 0.255 3241 E C -0.412 176.072 176.600 -0.194 0.000 0.999 3241 E CA 0.642 56.952 56.400 -0.150 0.000 0.934 3241 E CB 0.324 29.960 29.700 -0.107 0.000 0.940 3241 E HN 0.380 nan 8.360 nan 0.000 0.473 3242 T N 5.657 119.993 114.554 -0.363 0.000 2.876 3242 T HA 0.460 4.810 4.350 0.000 0.000 0.289 3242 T C -0.714 173.668 174.700 -0.529 0.000 1.014 3242 T CA -0.789 61.024 62.100 -0.479 0.000 0.986 3242 T CB 1.274 69.729 68.868 -0.688 0.000 1.021 3242 T HN 0.359 nan 8.240 nan 0.000 0.458 3243 R N 2.183 122.513 120.500 -0.283 0.000 2.534 3243 R HA 0.710 5.050 4.340 0.000 0.000 0.301 3243 R C -1.926 174.337 176.300 -0.063 0.000 0.961 3243 R CA -0.559 55.454 56.100 -0.145 0.000 0.871 3243 R CB 1.355 31.612 30.300 -0.072 0.000 1.170 3243 R HN 0.467 nan 8.270 nan 0.000 0.446 3244 V N 5.014 124.943 119.914 0.026 0.000 2.443 3244 V HA 0.353 4.473 4.120 0.000 0.000 0.293 3244 V C -0.285 175.815 176.094 0.009 0.000 1.021 3244 V CA -0.882 61.443 62.300 0.042 0.000 0.848 3244 V CB 1.701 33.608 31.823 0.140 0.000 0.998 3244 V HN 0.684 nan 8.190 nan 0.000 0.424 3245 K N 2.795 123.171 120.400 -0.039 0.000 2.143 3245 K HA 0.562 4.882 4.320 0.000 0.000 0.272 3245 K C -0.653 175.862 176.600 -0.141 0.000 1.001 3245 K CA -0.628 55.623 56.287 -0.060 0.000 0.915 3245 K CB 2.179 34.657 32.500 -0.037 0.000 1.047 3245 K HN 0.452 nan 8.250 nan 0.000 0.458 3246 V N 4.370 124.190 119.914 -0.158 0.000 2.356 3246 V HA -0.003 4.117 4.120 0.000 0.000 0.258 3246 V C 1.009 176.842 176.094 -0.435 0.000 1.065 3246 V CA -0.043 62.112 62.300 -0.242 0.000 0.935 3246 V CB 0.746 32.450 31.823 -0.198 0.000 1.061 3246 V HN 0.630 nan 8.190 nan 0.000 0.484 3247 V N 3.709 123.363 119.914 -0.434 0.000 3.174 3247 V HA 0.159 4.279 4.120 0.000 0.000 0.254 3247 V C 0.901 176.674 176.094 -0.535 0.000 1.120 3247 V CA 0.949 62.903 62.300 -0.577 0.000 1.114 3247 V CB -0.062 31.604 31.823 -0.263 0.000 0.756 3247 V HN 0.737 nan 8.190 nan 0.000 0.467 3248 K N 1.054 121.243 120.400 -0.353 0.000 2.371 3248 K HA 0.442 4.762 4.320 0.000 0.000 0.251 3248 K C -1.432 175.015 176.600 -0.255 0.000 0.934 3248 K CA -0.580 55.539 56.287 -0.280 0.000 0.798 3248 K CB 1.725 34.123 32.500 -0.170 0.000 1.204 3248 K HN 0.100 nan 8.250 nan 0.000 0.427 3249 N N 2.676 121.224 118.700 -0.253 0.000 2.478 3249 N HA 0.215 4.955 4.740 0.000 0.000 0.291 3249 N C -0.927 174.445 175.510 -0.229 0.000 1.090 3249 N CA -0.331 52.578 53.050 -0.236 0.000 0.911 3249 N CB 1.672 39.991 38.487 -0.280 0.000 1.546 3249 N HN 0.577 nan 8.380 nan 0.000 0.500 3250 K N 2.271 122.565 120.400 -0.177 0.000 2.358 3250 K HA 0.298 4.618 4.320 0.000 0.000 0.200 3250 K C 0.862 177.340 176.600 -0.203 0.000 1.030 3250 K CA 0.056 56.244 56.287 -0.166 0.000 1.097 3250 K CB 0.661 33.118 32.500 -0.072 0.000 0.862 3250 K HN 0.372 nan 8.250 nan 0.000 0.534 3251 I N -0.079 120.370 120.570 -0.202 0.000 3.300 3251 I HA 0.172 4.342 4.170 0.000 0.000 0.279 3251 I C 0.402 176.405 176.117 -0.190 0.000 1.172 3251 I CA 0.171 61.378 61.300 -0.155 0.000 1.431 3251 I CB 0.816 38.757 38.000 -0.098 0.000 1.240 3251 I HN -0.010 nan 8.210 nan 0.000 0.453 3252 A N -0.554 122.130 122.820 -0.227 0.000 2.765 3252 A HA 0.841 5.161 4.320 0.000 0.000 0.305 3252 A C -0.815 176.616 177.584 -0.255 0.000 1.229 3252 A CA -0.141 51.772 52.037 -0.207 0.000 0.653 3252 A CB -0.298 18.643 19.000 -0.097 0.000 1.375 3252 A HN 0.085 nan 8.150 nan 0.000 0.540 3253 A N 1.509 124.247 122.820 -0.137 0.000 2.548 3253 A HA 0.531 4.851 4.320 0.000 0.000 0.247 3253 A C -2.036 175.418 177.584 -0.217 0.000 1.067 3253 A CA -0.397 51.554 52.037 -0.143 0.000 0.757 3253 A CB -0.792 18.269 19.000 0.102 0.000 0.996 3253 A HN 0.480 nan 8.150 nan 0.000 0.504 3254 P HA 0.465 nan 4.420 nan 0.000 0.282 3254 P C 0.204 177.516 177.300 0.021 0.000 1.287 3254 P CA -0.208 62.723 63.100 -0.281 0.000 0.792 3254 P CB 0.288 31.740 31.700 -0.414 0.000 1.163 3255 F N -4.287 115.599 119.950 -0.107 0.000 2.590 3255 F HA -0.227 4.300 4.527 0.000 0.000 0.471 3255 F C 0.872 176.665 175.800 -0.012 0.000 0.551 3255 F CA 1.155 59.133 58.000 -0.035 0.000 1.228 3255 F CB -1.854 37.154 39.000 0.014 0.000 1.862 3255 F HN 0.243 nan 8.300 nan 0.000 0.271 3256 K N 2.291 122.765 120.400 0.124 0.000 2.448 3256 K HA 0.207 4.527 4.320 0.000 0.000 0.278 3256 K C 0.482 177.107 176.600 0.043 0.000 1.009 3256 K CA 0.243 56.577 56.287 0.078 0.000 0.995 3256 K CB 0.403 32.931 32.500 0.045 0.000 0.917 3256 K HN 0.413 nan 8.250 nan 0.000 0.481 3257 Q N 0.690 120.519 119.800 0.048 0.000 2.351 3257 Q HA 0.711 5.051 4.340 0.000 0.000 0.273 3257 Q C -1.386 174.641 176.000 0.044 0.000 1.077 3257 Q CA -1.268 54.559 55.803 0.040 0.000 0.843 3257 Q CB 2.011 30.777 28.738 0.047 0.000 1.367 3257 Q HN 0.508 nan 8.270 nan 0.000 0.449 3258 A N 1.867 124.728 122.820 0.068 0.000 2.332 3258 A HA 0.488 4.808 4.320 0.000 0.000 0.300 3258 A C -1.200 176.504 177.584 0.200 0.000 1.153 3258 A CA -0.682 51.428 52.037 0.121 0.000 0.764 3258 A CB 1.160 20.233 19.000 0.122 0.000 1.174 3258 A HN 0.762 nan 8.150 nan 0.000 0.467 3259 E N 1.619 121.921 120.200 0.170 0.000 2.176 3259 E HA 0.672 5.022 4.350 0.000 0.000 0.267 3259 E C -0.997 175.716 176.600 0.190 0.000 0.893 3259 E CA -0.345 56.109 56.400 0.089 0.000 0.761 3259 E CB 1.759 31.469 29.700 0.018 0.000 1.133 3259 E HN 0.670 nan 8.360 nan 0.000 0.409 3260 F N -0.694 119.240 119.950 -0.026 0.000 3.090 3260 F HA 0.466 4.993 4.527 0.000 0.000 0.324 3260 F C -1.419 174.366 175.800 -0.024 0.000 1.189 3260 F CA -1.222 56.759 58.000 -0.032 0.000 0.907 3260 F CB 1.165 40.138 39.000 -0.044 0.000 1.445 3260 F HN 0.119 nan 8.300 nan 0.000 0.500 3261 Q N 1.122 121.041 119.800 0.199 0.000 2.340 3261 Q HA 0.649 4.989 4.340 0.000 0.000 0.268 3261 Q C -1.419 174.680 176.000 0.166 0.000 1.031 3261 Q CA -0.679 55.152 55.803 0.046 0.000 0.804 3261 Q CB 3.099 31.850 28.738 0.023 0.000 1.286 3261 Q HN 0.559 nan 8.270 nan 0.000 0.448 3262 I N 3.807 124.393 120.570 0.028 0.000 2.388 3262 I HA 0.237 4.407 4.170 0.000 0.000 0.281 3262 I C -0.555 175.484 176.117 -0.130 0.000 1.046 3262 I CA -0.434 60.915 61.300 0.081 0.000 1.187 3262 I CB 0.566 38.668 38.000 0.169 0.000 1.351 3262 I HN 0.375 nan 8.210 nan 0.000 0.472 3263 L N 6.138 127.308 121.223 -0.089 0.000 2.360 3263 L HA 0.240 4.580 4.340 0.000 0.000 0.276 3263 L C -0.582 176.268 176.870 -0.033 0.000 1.121 3263 L CA -0.622 54.103 54.840 -0.193 0.000 0.845 3263 L CB -0.051 41.969 42.059 -0.066 0.000 1.143 3263 L HN 0.390 nan 8.230 nan 0.000 0.452 3264 Y N 1.417 121.811 120.300 0.156 0.000 2.436 3264 Y HA 0.363 4.913 4.550 0.000 0.000 0.336 3264 Y C 1.339 177.386 175.900 0.244 0.000 1.049 3264 Y CA -0.197 58.036 58.100 0.222 0.000 1.294 3264 Y CB 0.369 38.908 38.460 0.132 0.000 1.179 3264 Y HN 0.857 nan 8.280 nan 0.000 0.520 3265 G N 1.884 111.041 108.800 0.595 0.000 2.157 3265 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 3265 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 3265 G C 0.652 175.648 174.900 0.160 0.000 0.979 3265 G CA 0.514 45.849 45.100 0.390 0.000 0.650 3265 G HN 0.657 nan 8.290 nan 0.000 0.529 3266 E N -1.676 118.598 120.200 0.123 0.000 2.583 3266 E HA 0.439 4.789 4.350 0.000 0.000 0.204 3266 E C 1.388 177.998 176.600 0.015 0.000 0.860 3266 E CA 1.098 57.523 56.400 0.041 0.000 1.473 3266 E CB 0.604 30.334 29.700 0.049 0.000 1.469 3266 E HN 1.694 nan 8.360 nan 0.000 0.788 3267 G N 1.122 109.961 108.800 0.065 0.000 2.445 3267 G HA2 -0.193 3.767 3.960 0.000 0.000 0.212 3267 G HA3 -0.193 3.767 3.960 0.000 0.000 0.212 3267 G C -0.471 174.501 174.900 0.121 0.000 1.217 3267 G CA -0.348 44.798 45.100 0.077 0.000 1.002 3267 G HN 0.149 nan 8.290 nan 0.000 0.574 3268 I N 1.460 122.109 120.570 0.132 0.000 2.648 3268 I HA 0.112 4.282 4.170 0.000 0.000 0.284 3268 I C 0.533 176.737 176.117 0.145 0.000 1.153 3268 I CA -0.256 61.144 61.300 0.166 0.000 1.426 3268 I CB 0.761 38.785 38.000 0.040 0.000 1.381 3268 I HN 0.425 nan 8.210 nan 0.000 0.571 3269 N N 5.985 124.782 118.700 0.163 0.000 2.807 3269 N HA 0.035 4.775 4.740 0.000 0.000 0.259 3269 N C 0.551 176.139 175.510 0.131 0.000 1.149 3269 N CA 0.056 53.199 53.050 0.155 0.000 1.042 3269 N CB -0.068 38.491 38.487 0.120 0.000 1.367 3269 N HN 0.509 nan 8.380 nan 0.000 0.516 3270 F N 2.776 122.705 119.950 -0.036 0.000 2.069 3270 F HA -0.244 4.283 4.527 0.000 0.000 0.298 3270 F C 0.973 176.655 175.800 -0.197 0.000 1.113 3270 F CA 1.728 59.606 58.000 -0.204 0.000 1.214 3270 F CB -0.080 38.698 39.000 -0.370 0.000 0.978 3270 F HN 0.487 nan 8.300 nan 0.000 0.474 3271 Y N 0.041 120.475 120.300 0.224 0.000 2.293 3271 Y HA -0.005 4.545 4.550 0.000 0.000 0.291 3271 Y C 2.667 178.576 175.900 0.015 0.000 1.137 3271 Y CA 0.812 58.987 58.100 0.124 0.000 1.202 3271 Y CB -1.322 37.205 38.460 0.111 0.000 0.990 3271 Y HN 0.134 nan 8.280 nan 0.000 0.537 3272 G N 0.513 109.406 108.800 0.153 0.000 2.631 3272 G HA2 -0.340 3.620 3.960 0.000 0.000 0.219 3272 G HA3 -0.340 3.620 3.960 0.000 0.000 0.219 3272 G C 1.403 176.310 174.900 0.012 0.000 1.214 3272 G CA 1.608 46.746 45.100 0.063 0.000 0.785 3272 G HN 0.443 nan 8.290 nan 0.000 0.596 3273 E N -0.082 120.090 120.200 -0.046 0.000 2.033 3273 E HA -0.168 4.182 4.350 0.000 0.000 0.199 3273 E C 2.423 178.960 176.600 -0.105 0.000 1.011 3273 E CA 1.026 57.365 56.400 -0.101 0.000 0.815 3273 E CB -0.383 29.171 29.700 -0.244 0.000 0.755 3273 E HN 0.248 nan 8.360 nan 0.000 0.451 3274 L N 1.119 122.242 121.223 -0.168 0.000 2.030 3274 L HA -0.289 4.051 4.340 0.000 0.000 0.222 3274 L C 2.286 179.154 176.870 -0.003 0.000 1.082 3274 L CA 1.668 56.449 54.840 -0.100 0.000 0.785 3274 L CB -0.755 41.278 42.059 -0.043 0.000 0.895 3274 L HN 0.031 nan 8.230 nan 0.000 0.439 3275 V N -0.167 119.767 119.914 0.034 0.000 2.217 3275 V HA -0.414 3.706 4.120 0.000 0.000 0.248 3275 V C 2.334 178.481 176.094 0.088 0.000 1.050 3275 V CA 2.226 64.561 62.300 0.058 0.000 1.007 3275 V CB -0.953 30.864 31.823 -0.010 0.000 0.639 3275 V HN 0.485 nan 8.190 nan 0.000 0.452 3276 D N -0.156 120.286 120.400 0.070 0.000 2.157 3276 D HA -0.184 4.456 4.640 0.000 0.000 0.191 3276 D C 2.099 178.437 176.300 0.064 0.000 1.004 3276 D CA 1.365 55.415 54.000 0.083 0.000 0.854 3276 D CB -0.338 40.493 40.800 0.053 0.000 0.936 3276 D HN 0.195 nan 8.370 nan 0.000 0.446 3277 L N 0.501 121.740 121.223 0.027 0.000 2.046 3277 L HA -0.076 4.264 4.340 0.000 0.000 0.208 3277 L C 2.599 179.493 176.870 0.039 0.000 1.077 3277 L CA 1.671 56.520 54.840 0.014 0.000 0.747 3277 L CB -1.666 40.376 42.059 -0.030 0.000 0.896 3277 L HN 0.086 nan 8.230 nan 0.000 0.432 3278 G N -0.837 107.997 108.800 0.056 0.000 2.422 3278 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 3278 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 3278 G C 1.748 176.711 174.900 0.105 0.000 1.146 3278 G CA 0.963 46.114 45.100 0.085 0.000 0.769 3278 G HN 0.266 nan 8.290 nan 0.000 0.547 3279 V N 0.645 120.629 119.914 0.117 0.000 2.270 3279 V HA -0.130 3.991 4.120 0.000 0.000 0.245 3279 V C 2.650 178.783 176.094 0.066 0.000 1.043 3279 V CA 2.171 64.535 62.300 0.107 0.000 1.014 3279 V CB -0.423 31.483 31.823 0.138 0.000 0.645 3279 V HN 0.356 nan 8.190 nan 0.000 0.447 3280 K N -0.292 120.143 120.400 0.057 0.000 2.209 3280 K HA -0.151 4.169 4.320 0.000 0.000 0.204 3280 K C 1.619 178.242 176.600 0.037 0.000 1.048 3280 K CA 1.113 57.423 56.287 0.040 0.000 0.940 3280 K CB 0.065 32.586 32.500 0.034 0.000 0.729 3280 K HN 0.379 nan 8.250 nan 0.000 0.451 3281 E N 0.582 120.808 120.200 0.044 0.000 2.444 3281 E HA 0.009 4.359 4.350 0.000 0.000 0.191 3281 E C -0.221 176.410 176.600 0.051 0.000 1.041 3281 E CA 0.046 56.472 56.400 0.043 0.000 0.883 3281 E CB 0.655 30.380 29.700 0.042 0.000 1.024 3281 E HN 0.118 nan 8.360 nan 0.000 0.470 3282 K N -0.100 120.332 120.400 0.053 0.000 3.130 3282 K HA -0.204 4.116 4.320 0.000 0.000 0.282 3282 K C 0.941 177.588 176.600 0.078 0.000 1.145 3282 K CA 0.397 56.716 56.287 0.054 0.000 0.831 3282 K CB -2.036 30.486 32.500 0.036 0.000 1.226 3282 K HN 0.276 nan 8.250 nan 0.000 0.478 3283 L N -0.423 120.865 121.223 0.109 0.000 2.375 3283 L HA 0.175 4.515 4.340 0.000 0.000 0.215 3283 L C 0.986 178.007 176.870 0.251 0.000 1.108 3283 L CA 0.575 55.518 54.840 0.171 0.000 0.830 3283 L CB 0.199 42.359 42.059 0.167 0.000 0.959 3283 L HN 0.113 nan 8.230 nan 0.000 0.457 3284 I N -0.877 119.810 120.570 0.196 0.000 2.509 3284 I HA 0.209 4.379 4.170 0.000 0.000 0.293 3284 I C -0.282 175.916 176.117 0.135 0.000 1.020 3284 I CA -0.643 60.789 61.300 0.221 0.000 1.088 3284 I CB 2.244 40.388 38.000 0.240 0.000 1.267 3284 I HN -0.167 nan 8.210 nan 0.000 0.430 3285 E N 5.221 125.486 120.200 0.108 0.000 2.313 3285 E HA 0.255 4.605 4.350 0.000 0.000 0.276 3285 E C -0.712 175.868 176.600 -0.033 0.000 1.031 3285 E CA -0.338 56.082 56.400 0.032 0.000 0.857 3285 E CB 0.989 30.701 29.700 0.020 0.000 1.040 3285 E HN 0.322 nan 8.360 nan 0.000 0.408 3286 K N 2.764 123.102 120.400 -0.103 0.000 2.621 3286 K HA 0.495 4.815 4.320 0.000 0.000 0.233 3286 K C -1.606 174.917 176.600 -0.128 0.000 0.972 3286 K CA -0.590 55.553 56.287 -0.240 0.000 0.988 3286 K CB 0.986 33.260 32.500 -0.377 0.000 1.187 3286 K HN 0.491 nan 8.250 nan 0.000 0.471 3287 A N 3.562 126.346 122.820 -0.060 0.000 2.880 3287 A HA 0.569 4.889 4.320 0.000 0.000 0.328 3287 A C 0.837 178.436 177.584 0.026 0.000 1.440 3287 A CA 0.355 52.389 52.037 -0.004 0.000 1.068 3287 A CB -0.254 18.761 19.000 0.026 0.000 1.163 3287 A HN 1.061 nan 8.150 nan 0.000 0.510 3288 G N 1.300 110.081 108.800 -0.031 0.000 3.031 3288 G HA2 -0.064 3.896 3.960 0.000 0.000 0.289 3288 G HA3 -0.064 3.896 3.960 0.000 0.000 0.289 3288 G C 1.308 176.159 174.900 -0.083 0.000 1.393 3288 G CA 0.718 45.800 45.100 -0.030 0.000 1.010 3288 G HN 1.835 nan 8.290 nan 0.000 0.579 3289 A N -0.788 121.988 122.820 -0.072 0.000 2.229 3289 A HA 0.531 4.851 4.320 0.000 0.000 0.211 3289 A C 0.701 178.207 177.584 -0.130 0.000 1.193 3289 A CA 0.535 52.492 52.037 -0.133 0.000 0.879 3289 A CB 0.043 18.922 19.000 -0.202 0.000 0.911 3289 A HN 0.597 nan 8.150 nan 0.000 0.492 3290 W N -0.426 120.852 121.300 -0.036 0.000 2.287 3290 W HA 0.494 5.154 4.660 0.000 0.000 0.313 3290 W C -0.743 175.740 176.519 -0.060 0.000 1.267 3290 W CA 0.005 57.358 57.345 0.013 0.000 1.201 3290 W CB 0.356 29.808 29.460 -0.014 0.000 1.196 3290 W HN 0.216 nan 8.180 nan 0.000 0.536 3291 Y N 2.482 122.929 120.300 0.245 0.000 2.331 3291 Y HA 0.412 4.962 4.550 0.000 0.000 0.338 3291 Y C 0.379 176.333 175.900 0.090 0.000 0.976 3291 Y CA -0.604 57.572 58.100 0.126 0.000 1.137 3291 Y CB 1.328 39.829 38.460 0.070 0.000 1.172 3291 Y HN 0.160 nan 8.280 nan 0.000 0.478 3292 S N 2.616 118.417 115.700 0.168 0.000 2.568 3292 S HA 0.469 4.939 4.470 0.000 0.000 0.302 3292 S C -1.863 172.816 174.600 0.132 0.000 1.082 3292 S CA -0.772 57.473 58.200 0.075 0.000 1.009 3292 S CB 1.407 64.614 63.200 0.013 0.000 1.069 3292 S HN 0.485 nan 8.310 nan 0.000 0.500 3293 Y N 2.059 122.311 120.300 -0.080 0.000 2.326 3293 Y HA 0.379 4.929 4.550 0.000 0.000 0.329 3293 Y C 0.260 176.150 175.900 -0.017 0.000 0.973 3293 Y CA -1.064 57.019 58.100 -0.029 0.000 1.162 3293 Y CB 0.520 38.968 38.460 -0.021 0.000 1.147 3293 Y HN 0.832 nan 8.280 nan 0.000 0.456 3294 K N 4.582 124.711 120.400 -0.451 0.000 3.016 3294 K HA -0.278 4.042 4.320 0.000 0.000 0.262 3294 K C 0.929 177.412 176.600 -0.194 0.000 1.043 3294 K CA 1.118 57.170 56.287 -0.392 0.000 0.761 3294 K CB -1.467 30.692 32.500 -0.568 0.000 1.230 3294 K HN 1.326 nan 8.250 nan 0.000 0.485 3295 G N 0.243 108.967 108.800 -0.128 0.000 2.345 3295 G HA2 -0.335 3.625 3.960 0.000 0.000 0.218 3295 G HA3 -0.335 3.625 3.960 0.000 0.000 0.218 3295 G C -0.137 174.705 174.900 -0.096 0.000 1.058 3295 G CA 0.286 45.328 45.100 -0.097 0.000 0.632 3295 G HN 0.435 nan 8.290 nan 0.000 0.508 3296 E N 2.026 122.170 120.200 -0.094 0.000 2.257 3296 E HA 0.317 4.667 4.350 0.000 0.000 0.278 3296 E C 0.016 176.537 176.600 -0.132 0.000 1.049 3296 E CA -0.322 56.021 56.400 -0.096 0.000 0.876 3296 E CB 0.205 29.874 29.700 -0.052 0.000 1.035 3296 E HN 0.363 nan 8.360 nan 0.000 0.419 3297 K N 5.709 126.012 120.400 -0.162 0.000 2.378 3297 K HA 0.088 4.408 4.320 0.000 0.000 0.288 3297 K C 1.138 177.614 176.600 -0.207 0.000 1.057 3297 K CA -0.009 56.182 56.287 -0.160 0.000 0.971 3297 K CB 0.482 32.806 32.500 -0.293 0.000 0.975 3297 K HN 0.579 nan 8.250 nan 0.000 0.475 3298 I N -1.144 119.273 120.570 -0.256 0.000 3.462 3298 I HA 0.232 4.402 4.170 0.000 0.000 0.290 3298 I C 0.623 176.593 176.117 -0.245 0.000 1.236 3298 I CA -0.043 60.863 61.300 -0.657 0.000 1.418 3298 I CB 0.561 37.975 38.000 -0.976 0.000 1.102 3298 I HN 0.530 nan 8.210 nan 0.000 0.441 3299 G N 1.790 110.652 108.800 0.104 0.000 2.443 3299 G HA2 0.132 4.092 3.960 0.000 0.000 0.303 3299 G HA3 0.132 4.092 3.960 0.000 0.000 0.303 3299 G C -1.804 173.192 174.900 0.159 0.000 1.613 3299 G CA -0.656 44.540 45.100 0.160 0.000 0.879 3299 G HN 0.233 nan 8.290 nan 0.000 0.632 3300 Q N 0.851 120.507 119.800 -0.241 0.000 2.314 3300 Q HA 0.528 4.868 4.340 0.000 0.000 0.257 3300 Q C 0.559 176.391 176.000 -0.280 0.000 0.975 3300 Q CA 0.738 56.124 55.803 -0.695 0.000 0.933 3300 Q CB 0.705 28.534 28.738 -1.516 0.000 1.195 3300 Q HN 2.321 nan 8.270 nan 0.000 0.426 3301 G N 3.131 111.902 108.800 -0.048 0.000 2.692 3301 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 3301 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 3301 G C -0.064 174.748 174.900 -0.147 0.000 1.243 3301 G CA -0.082 45.027 45.100 0.015 0.000 0.782 3301 G HN 0.761 nan 8.290 nan 0.000 0.625 3302 K N 0.678 120.974 120.400 -0.173 0.000 2.147 3302 K HA 0.052 4.372 4.320 0.000 0.000 0.205 3302 K C 2.827 179.275 176.600 -0.254 0.000 1.049 3302 K CA 2.188 58.219 56.287 -0.426 0.000 0.936 3302 K CB -0.310 32.094 32.500 -0.160 0.000 0.722 3302 K HN 1.082 nan 8.250 nan 0.000 0.446 3303 A N 1.117 123.855 122.820 -0.136 0.000 1.972 3303 A HA -0.176 4.144 4.320 0.000 0.000 0.219 3303 A C 1.582 179.122 177.584 -0.073 0.000 1.169 3303 A CA 1.771 53.758 52.037 -0.083 0.000 0.635 3303 A CB -0.517 18.448 19.000 -0.057 0.000 0.810 3303 A HN 0.515 nan 8.150 nan 0.000 0.446 3304 N N -0.739 117.905 118.700 -0.094 0.000 2.409 3304 N HA 0.125 4.865 4.740 0.000 0.000 0.174 3304 N C 1.816 177.315 175.510 -0.018 0.000 1.037 3304 N CA 0.578 53.604 53.050 -0.040 0.000 0.898 3304 N CB -0.053 38.410 38.487 -0.041 0.000 1.010 3304 N HN 0.468 nan 8.380 nan 0.000 0.445 3305 A N 0.685 123.410 122.820 -0.158 0.000 2.015 3305 A HA -0.067 4.253 4.320 0.000 0.000 0.219 3305 A C 2.211 179.795 177.584 0.000 0.000 1.163 3305 A CA 1.288 53.237 52.037 -0.146 0.000 0.646 3305 A CB -0.635 18.032 19.000 -0.554 0.000 0.806 3305 A HN 0.133 nan 8.150 nan 0.000 0.448 3306 T N 0.439 114.967 114.554 -0.042 0.000 2.614 3306 T HA -0.018 4.332 4.350 0.000 0.000 0.263 3306 T C 2.187 176.884 174.700 -0.004 0.000 1.055 3306 T CA 1.688 63.792 62.100 0.007 0.000 1.162 3306 T CB -0.514 68.347 68.868 -0.011 0.000 0.863 3306 T HN 0.558 nan 8.240 nan 0.000 0.414 3307 A N -0.489 122.331 122.820 -0.001 0.000 2.172 3307 A HA -0.017 4.303 4.320 0.000 0.000 0.216 3307 A C 1.901 179.492 177.584 0.011 0.000 1.154 3307 A CA 0.904 52.927 52.037 -0.024 0.000 0.701 3307 A CB -0.878 18.119 19.000 -0.004 0.000 0.789 3307 A HN 0.757 nan 8.150 nan 0.000 0.465 3308 W N -0.421 120.825 121.300 -0.090 0.000 2.539 3308 W HA 0.137 4.797 4.660 0.000 0.000 0.281 3308 W C 1.429 177.894 176.519 -0.091 0.000 1.220 3308 W CA 0.866 58.173 57.345 -0.063 0.000 1.332 3308 W CB -0.013 29.440 29.460 -0.012 0.000 1.095 3308 W HN 0.189 nan 8.180 nan 0.000 0.571 3309 L N 1.005 122.227 121.223 -0.000 0.000 2.156 3309 L HA -0.131 4.209 4.340 0.000 0.000 0.208 3309 L C 2.542 179.105 176.870 -0.510 0.000 1.095 3309 L CA 1.331 56.053 54.840 -0.197 0.000 0.770 3309 L CB -0.681 41.467 42.059 0.148 0.000 0.914 3309 L HN -0.105 nan 8.230 nan 0.000 0.439 3310 K N -0.016 120.004 120.400 -0.633 0.000 2.097 3310 K HA -0.238 4.082 4.320 0.000 0.000 0.206 3310 K C 1.595 177.903 176.600 -0.486 0.000 1.049 3310 K CA 1.875 57.700 56.287 -0.771 0.000 0.933 3310 K CB 0.032 32.230 32.500 -0.504 0.000 0.717 3310 K HN 0.181 nan 8.250 nan 0.000 0.442 3311 D N -0.273 119.871 120.400 -0.427 0.000 2.194 3311 D HA -0.039 4.601 4.640 0.000 0.000 0.204 3311 D C -0.320 175.712 176.300 -0.447 0.000 0.964 3311 D CA 0.735 54.512 54.000 -0.372 0.000 0.846 3311 D CB 0.237 40.847 40.800 -0.317 0.000 0.962 3311 D HN 0.054 nan 8.370 nan 0.000 0.490 3312 N N -0.383 117.922 118.700 -0.658 0.000 2.898 3312 N HA 0.228 4.968 4.740 0.000 0.000 0.245 3312 N C -2.200 173.078 175.510 -0.387 0.000 1.185 3312 N CA -1.213 51.487 53.050 -0.584 0.000 0.879 3312 N CB 1.876 39.832 38.487 -0.884 0.000 1.157 3312 N HN -0.032 nan 8.380 nan 0.000 0.503 3313 P HA -0.131 nan 4.420 nan 0.000 0.222 3313 P C 0.845 178.113 177.300 -0.053 0.000 1.147 3313 P CA 0.968 64.018 63.100 -0.083 0.000 0.790 3313 P CB 0.426 32.087 31.700 -0.065 0.000 0.780 3314 E N -0.395 119.758 120.200 -0.078 0.000 2.031 3314 E HA -0.137 4.213 4.350 0.000 0.000 0.193 3314 E C 1.742 178.334 176.600 -0.012 0.000 0.994 3314 E CA 1.698 58.077 56.400 -0.034 0.000 0.800 3314 E CB -1.762 27.923 29.700 -0.026 0.000 0.752 3314 E HN 0.289 nan 8.360 nan 0.000 0.447 3315 T N 1.713 116.240 114.554 -0.045 0.000 2.821 3315 T HA -0.025 4.326 4.350 0.000 0.000 0.267 3315 T C 2.120 176.800 174.700 -0.034 0.000 1.046 3315 T CA 1.392 63.485 62.100 -0.012 0.000 1.139 3315 T CB -0.279 68.584 68.868 -0.008 0.000 0.871 3315 T HN 0.319 nan 8.240 nan 0.000 0.454 3316 A N 2.285 125.094 122.820 -0.018 0.000 1.877 3316 A HA -0.134 4.186 4.320 0.000 0.000 0.216 3316 A C 2.333 179.956 177.584 0.065 0.000 1.186 3316 A CA 1.218 53.301 52.037 0.077 0.000 0.620 3316 A CB -0.338 18.811 19.000 0.249 0.000 0.822 3316 A HN 0.221 nan 8.150 nan 0.000 0.443 3317 K N -0.169 120.259 120.400 0.046 0.000 2.032 3317 K HA -0.186 4.134 4.320 0.000 0.000 0.209 3317 K C 1.897 178.521 176.600 0.039 0.000 1.048 3317 K CA 1.654 57.963 56.287 0.036 0.000 0.927 3317 K CB -0.577 31.934 32.500 0.018 0.000 0.712 3317 K HN 0.756 nan 8.250 nan 0.000 0.441 3318 E N 0.540 120.766 120.200 0.043 0.000 2.085 3318 E HA -0.147 4.203 4.350 0.000 0.000 0.194 3318 E C 2.075 178.715 176.600 0.068 0.000 0.994 3318 E CA 0.958 57.398 56.400 0.067 0.000 0.801 3318 E CB 0.015 29.777 29.700 0.103 0.000 0.743 3318 E HN 0.248 nan 8.360 nan 0.000 0.453 3319 I N 0.392 120.980 120.570 0.031 0.000 2.277 3319 I HA -0.193 3.977 4.170 0.000 0.000 0.243 3319 I C 2.618 178.754 176.117 0.032 0.000 1.094 3319 I CA 0.951 62.264 61.300 0.022 0.000 1.393 3319 I CB -0.395 37.572 38.000 -0.056 0.000 1.078 3319 I HN 0.188 nan 8.210 nan 0.000 0.417 3320 E N 1.883 122.102 120.200 0.032 0.000 2.065 3320 E HA -0.345 4.005 4.350 0.000 0.000 0.201 3320 E C 2.232 178.846 176.600 0.025 0.000 1.016 3320 E CA 2.012 58.429 56.400 0.029 0.000 0.818 3320 E CB -0.057 29.686 29.700 0.070 0.000 0.749 3320 E HN 0.282 nan 8.360 nan 0.000 0.453 3321 K N 0.378 120.798 120.400 0.034 0.000 2.032 3321 K HA -0.196 4.124 4.320 0.000 0.000 0.209 3321 K C 2.190 178.808 176.600 0.031 0.000 1.048 3321 K CA 1.762 58.068 56.287 0.030 0.000 0.927 3321 K CB 0.000 32.520 32.500 0.032 0.000 0.712 3321 K HN 0.005 nan 8.250 nan 0.000 0.441 3322 K N 0.142 120.568 120.400 0.043 0.000 2.148 3322 K HA -0.088 4.232 4.320 0.000 0.000 0.204 3322 K C 1.957 178.580 176.600 0.038 0.000 1.050 3322 K CA 1.021 57.337 56.287 0.048 0.000 0.942 3322 K CB 0.085 32.628 32.500 0.072 0.000 0.724 3322 K HN 0.009 nan 8.250 nan 0.000 0.446 3323 V N 1.229 121.161 119.914 0.029 0.000 2.261 3323 V HA -0.260 3.860 4.120 0.000 0.000 0.246 3323 V C 2.209 178.306 176.094 0.005 0.000 1.047 3323 V CA 1.662 63.971 62.300 0.014 0.000 1.015 3323 V CB -0.430 31.389 31.823 -0.006 0.000 0.642 3323 V HN 0.290 nan 8.190 nan 0.000 0.446 3324 R N -0.156 120.345 120.500 0.001 0.000 2.096 3324 R HA -0.226 4.114 4.340 0.000 0.000 0.240 3324 R C 2.333 178.637 176.300 0.007 0.000 1.139 3324 R CA 2.022 58.121 56.100 -0.002 0.000 0.952 3324 R CB -0.436 29.865 30.300 0.000 0.000 0.854 3324 R HN 0.605 nan 8.270 nan 0.000 0.436 3325 E N 0.429 120.637 120.200 0.015 0.000 2.130 3325 E HA -0.220 4.130 4.350 0.000 0.000 0.196 3325 E C 1.975 178.586 176.600 0.018 0.000 0.998 3325 E CA 1.166 57.577 56.400 0.018 0.000 0.806 3325 E CB -0.075 29.639 29.700 0.023 0.000 0.738 3325 E HN 0.321 nan 8.360 nan 0.000 0.459 3326 L N -0.270 120.964 121.223 0.019 0.000 2.270 3326 L HA -0.045 4.295 4.340 0.000 0.000 0.210 3326 L C 1.904 178.784 176.870 0.017 0.000 1.104 3326 L CA 0.537 55.389 54.840 0.020 0.000 0.804 3326 L CB 0.252 42.325 42.059 0.024 0.000 0.937 3326 L HN 0.101 nan 8.230 nan 0.000 0.450 3327 L N -0.780 120.450 121.223 0.011 0.000 2.858 3327 L HA 0.232 4.572 4.340 0.000 0.000 0.251 3327 L C -0.203 176.672 176.870 0.008 0.000 1.149 3327 L CA -0.186 54.659 54.840 0.009 0.000 0.955 3327 L CB 0.731 42.792 42.059 0.003 0.000 1.289 3327 L HN 0.056 nan 8.230 nan 0.000 0.542 3328 L N 0.486 121.713 121.223 0.007 0.000 2.259 3328 L HA 0.223 4.563 4.340 0.000 0.000 0.288 3328 L C 0.900 177.780 176.870 0.017 0.000 1.051 3328 L CA -0.236 54.608 54.840 0.007 0.000 0.824 3328 L CB 1.282 43.342 42.059 0.001 0.000 1.206 3328 L HN 0.077 nan 8.230 nan 0.000 0.429 3329 S N 1.593 117.308 115.700 0.024 0.000 2.815 3329 S HA 0.174 4.644 4.470 0.000 0.000 0.254 3329 S C 0.422 175.044 174.600 0.036 0.000 1.197 3329 S CA -0.468 57.753 58.200 0.036 0.000 1.216 3329 S CB -0.525 62.706 63.200 0.050 0.000 0.871 3329 S HN 0.780 nan 8.310 nan 0.000 0.473 3330 N N 1.399 120.113 118.700 0.023 0.000 3.565 3330 N HA 0.132 4.872 4.740 0.000 0.000 0.139 3330 N C -3.286 172.230 175.510 0.009 0.000 1.179 3330 N CA -0.418 52.643 53.050 0.019 0.000 1.876 3330 N CB 1.095 39.588 38.487 0.010 0.000 1.640 3330 N HN 0.253 nan 8.380 nan 0.000 0.702 3331 P HA -0.012 nan 4.420 nan 0.000 0.270 3331 P C 0.008 177.311 177.300 0.005 0.000 1.221 3331 P CA 0.088 63.192 63.100 0.007 0.000 0.788 3331 P CB 0.638 32.344 31.700 0.011 0.000 0.904 3332 N N 0.194 118.895 118.700 0.003 0.000 2.525 3332 N HA 0.093 4.833 4.740 0.000 0.000 0.271 3332 N C 0.055 175.566 175.510 0.003 0.000 1.194 3332 N CA 0.094 53.144 53.050 0.001 0.000 0.964 3332 N CB 0.411 38.898 38.487 -0.001 0.000 1.126 3332 N HN 0.433 nan 8.380 nan 0.000 0.452 4002 I N 0.800 121.370 120.570 0.000 0.000 2.385 4002 I HA 0.017 4.187 4.170 0.000 0.000 0.244 4002 I C 1.913 178.030 176.117 0.000 0.000 1.089 4002 I CA 1.392 62.692 61.300 0.001 0.000 1.410 4002 I CB -0.120 37.880 38.000 -0.000 0.000 1.117 4002 I HN 0.385 nan 8.210 nan 0.000 0.429 4003 D N 0.710 121.110 120.400 -0.001 0.000 2.339 4003 D HA -0.076 4.564 4.640 0.000 0.000 0.217 4003 D C 1.295 177.595 176.300 -0.001 0.000 1.050 4003 D CA 0.499 54.498 54.000 -0.002 0.000 0.856 4003 D CB -0.018 40.780 40.800 -0.003 0.000 0.922 4003 D HN 0.422 nan 8.370 nan 0.000 0.518 4004 E N -0.355 119.845 120.200 -0.000 0.000 2.472 4004 E HA 0.093 4.443 4.350 0.000 0.000 0.196 4004 E C 1.074 177.674 176.600 0.001 0.000 1.033 4004 E CA -0.139 56.261 56.400 0.000 0.000 0.886 4004 E CB 0.217 29.917 29.700 0.000 0.000 0.944 4004 E HN 0.042 nan 8.360 nan 0.000 0.492 4005 N N 0.826 119.528 118.700 0.002 0.000 2.416 4005 N HA -0.024 4.716 4.740 0.000 0.000 0.177 4005 N C 1.167 176.679 175.510 0.003 0.000 1.036 4005 N CA 0.699 53.751 53.050 0.003 0.000 0.901 4005 N CB 0.265 38.754 38.487 0.003 0.000 0.976 4005 N HN 0.119 nan 8.380 nan 0.000 0.444 4006 K N 0.541 120.942 120.400 0.002 0.000 2.005 4006 K HA 0.013 4.333 4.320 0.000 0.000 0.206 4006 K C 1.696 178.297 176.600 0.002 0.000 1.044 4006 K CA 0.880 57.168 56.287 0.002 0.000 0.942 4006 K CB -0.124 32.376 32.500 -0.000 0.000 0.727 4006 K HN 0.148 nan 8.250 nan 0.000 0.439 4007 Q N 0.895 120.696 119.800 0.001 0.000 2.369 4007 Q HA -0.073 4.267 4.340 0.000 0.000 0.206 4007 Q C 1.965 177.967 176.000 0.003 0.000 0.963 4007 Q CA 0.852 56.656 55.803 0.002 0.000 0.894 4007 Q CB 0.198 28.936 28.738 0.001 0.000 0.965 4007 Q HN 0.179 nan 8.270 nan 0.000 0.475 4008 K N 0.298 120.700 120.400 0.003 0.000 2.116 4008 K HA -0.028 4.292 4.320 0.000 0.000 0.203 4008 K C 1.616 178.219 176.600 0.005 0.000 1.052 4008 K CA 1.177 57.466 56.287 0.003 0.000 0.952 4008 K CB 0.042 32.544 32.500 0.003 0.000 0.729 4008 K HN 0.147 nan 8.250 nan 0.000 0.446 4009 A N 1.086 123.909 122.820 0.005 0.000 2.178 4009 A HA 0.045 4.365 4.320 0.000 0.000 0.211 4009 A C 1.843 179.432 177.584 0.007 0.000 1.157 4009 A CA 0.148 52.189 52.037 0.006 0.000 0.780 4009 A CB -0.178 18.826 19.000 0.006 0.000 0.828 4009 A HN 0.354 nan 8.150 nan 0.000 0.476 4010 L N -0.124 121.103 121.223 0.007 0.000 1.993 4010 L HA 0.072 4.412 4.340 0.000 0.000 0.206 4010 L C 2.492 179.368 176.870 0.010 0.000 1.074 4010 L CA 2.287 57.132 54.840 0.008 0.000 0.746 4010 L CB -0.634 41.429 42.059 0.006 0.000 0.896 4010 L HN 0.225 nan 8.230 nan 0.000 0.435 4011 A N -0.614 122.211 122.820 0.008 0.000 2.121 4011 A HA 0.047 4.367 4.320 0.000 0.000 0.218 4011 A C 2.282 179.872 177.584 0.009 0.000 1.154 4011 A CA 1.410 53.452 52.037 0.009 0.000 0.679 4011 A CB -0.998 18.006 19.000 0.007 0.000 0.795 4011 A HN 0.636 nan 8.150 nan 0.000 0.458 4012 A N -0.625 122.200 122.820 0.008 0.000 2.021 4012 A HA 0.410 4.730 4.320 0.000 0.000 0.216 4012 A C 2.329 179.919 177.584 0.010 0.000 1.163 4012 A CA 1.360 53.401 52.037 0.007 0.000 0.676 4012 A CB -0.558 18.445 19.000 0.006 0.000 0.818 4012 A HN 0.815 nan 8.150 nan 0.000 0.453 4013 A N -0.408 122.421 122.820 0.014 0.000 1.898 4013 A HA 0.165 4.485 4.320 0.000 0.000 0.214 4013 A C 1.974 179.576 177.584 0.030 0.000 1.183 4013 A CA 1.211 53.261 52.037 0.022 0.000 0.622 4013 A CB -0.580 18.434 19.000 0.022 0.000 0.824 4013 A HN 0.353 nan 8.150 nan 0.000 0.444 4014 L N 0.151 121.390 121.223 0.027 0.000 1.963 4014 L HA -0.211 4.129 4.340 0.000 0.000 0.220 4014 L C 2.741 179.631 176.870 0.033 0.000 1.076 4014 L CA 2.390 57.249 54.840 0.031 0.000 0.772 4014 L CB -0.965 41.107 42.059 0.023 0.000 0.892 4014 L HN 0.412 nan 8.230 nan 0.000 0.435 4015 G N -2.138 106.674 108.800 0.020 0.000 2.432 4015 G HA2 -0.346 3.614 3.960 0.000 0.000 0.219 4015 G HA3 -0.346 3.614 3.960 0.000 0.000 0.219 4015 G C 1.482 176.385 174.900 0.005 0.000 1.135 4015 G CA 0.925 46.033 45.100 0.013 0.000 0.767 4015 G HN 0.445 nan 8.290 nan 0.000 0.550 4016 Q N 0.487 120.290 119.800 0.006 0.000 2.050 4016 Q HA -0.028 4.312 4.340 0.000 0.000 0.202 4016 Q C 2.343 178.335 176.000 -0.013 0.000 0.980 4016 Q CA 1.444 57.241 55.803 -0.010 0.000 0.840 4016 Q CB -0.397 28.342 28.738 0.001 0.000 0.898 4016 Q HN 0.528 nan 8.270 nan 0.000 0.424 4017 I N 0.263 120.865 120.570 0.054 0.000 2.252 4017 I HA -0.214 3.956 4.170 0.000 0.000 0.245 4017 I C 2.264 178.466 176.117 0.142 0.000 1.102 4017 I CA 1.377 62.772 61.300 0.157 0.000 1.385 4017 I CB -0.322 37.798 38.000 0.200 0.000 1.064 4017 I HN 0.300 nan 8.210 nan 0.000 0.414 4018 E N 0.751 121.001 120.200 0.083 0.000 2.118 4018 E HA -0.270 4.080 4.350 0.000 0.000 0.195 4018 E C 2.131 178.743 176.600 0.020 0.000 0.992 4018 E CA 1.118 57.558 56.400 0.066 0.000 0.804 4018 E CB -0.040 29.687 29.700 0.044 0.000 0.741 4018 E HN 0.331 nan 8.360 nan 0.000 0.458 4019 K N 0.462 120.847 120.400 -0.027 0.000 2.217 4019 K HA -0.125 4.195 4.320 0.000 0.000 0.202 4019 K C 1.983 178.499 176.600 -0.140 0.000 1.051 4019 K CA 0.849 57.098 56.287 -0.062 0.000 0.952 4019 K CB 0.197 32.662 32.500 -0.058 0.000 0.736 4019 K HN 0.114 nan 8.250 nan 0.000 0.453 4020 Q N -1.210 118.426 119.800 -0.274 0.000 2.123 4020 Q HA -0.028 4.312 4.340 0.000 0.000 0.196 4020 Q C 0.895 176.563 176.000 -0.552 0.000 0.958 4020 Q CA 1.092 56.541 55.803 -0.591 0.000 0.841 4020 Q CB 0.283 28.335 28.738 -1.143 0.000 0.915 4020 Q HN 0.222 nan 8.270 nan 0.000 0.455 4021 F N -1.186 118.772 119.950 0.013 0.000 2.728 4021 F HA 0.413 4.940 4.527 0.000 0.000 0.314 4021 F C 0.824 176.635 175.800 0.019 0.000 1.094 4021 F CA 0.365 58.375 58.000 0.016 0.000 1.217 4021 F CB 1.278 40.289 39.000 0.018 0.000 1.056 4021 F HN 0.041 nan 8.300 nan 0.000 0.577 4022 G N 0.183 109.066 108.800 0.139 0.000 2.408 4022 G HA2 -0.099 3.861 3.960 0.000 0.000 0.682 4022 G HA3 -0.099 3.861 3.960 0.000 0.000 0.682 4022 G C 0.403 175.350 174.900 0.078 0.000 1.303 4022 G CA -0.718 44.438 45.100 0.093 0.000 0.966 4022 G HN -0.158 nan 8.290 nan 0.000 0.560 4023 K N 0.038 120.472 120.400 0.057 0.000 1.975 4023 K HA -0.104 4.216 4.320 0.000 0.000 0.225 4023 K C 2.102 178.733 176.600 0.051 0.000 1.050 4023 K CA 1.912 58.226 56.287 0.046 0.000 0.992 4023 K CB -0.773 31.749 32.500 0.036 0.000 0.738 4023 K HN 1.051 nan 8.250 nan 0.000 0.446 4024 G N 1.260 110.091 108.800 0.052 0.000 3.882 4024 G HA2 0.110 4.070 3.960 0.000 0.000 0.283 4024 G HA3 0.110 4.070 3.960 0.000 0.000 0.283 4024 G C 1.049 175.984 174.900 0.059 0.000 1.283 4024 G CA 0.149 45.279 45.100 0.049 0.000 1.402 4024 G HN 0.315 nan 8.290 nan 0.000 0.618 4025 S N 0.018 115.764 115.700 0.077 0.000 2.368 4025 S HA 0.079 4.549 4.470 0.000 0.000 0.225 4025 S C 0.834 175.466 174.600 0.053 0.000 1.030 4025 S CA 0.485 58.735 58.200 0.083 0.000 0.999 4025 S CB 0.246 63.540 63.200 0.157 0.000 0.844 4025 S HN 0.390 nan 8.310 nan 0.000 0.459 4026 I N 1.206 121.810 120.570 0.058 0.000 2.656 4026 I HA 0.603 4.773 4.170 0.000 0.000 0.292 4026 I C -1.311 174.827 176.117 0.035 0.000 1.144 4026 I CA -1.291 60.034 61.300 0.041 0.000 1.038 4026 I CB 1.938 39.966 38.000 0.047 0.000 1.244 4026 I HN 0.506 nan 8.210 nan 0.000 0.420 4027 M N 4.076 123.692 119.600 0.026 0.000 2.949 4027 M HA 0.566 5.046 4.480 0.000 0.000 0.270 4027 M C -1.374 174.933 176.300 0.012 0.000 1.221 4027 M CA -1.070 54.241 55.300 0.019 0.000 0.818 4027 M CB 1.394 34.004 32.600 0.018 0.000 1.635 4027 M HN 0.283 nan 8.290 nan 0.000 0.492 4028 R N 0.914 121.418 120.500 0.007 0.000 2.590 4028 R HA 0.316 4.656 4.340 0.000 0.000 0.274 4028 R C 0.937 177.231 176.300 -0.009 0.000 1.061 4028 R CA -0.199 55.901 56.100 -0.001 0.000 1.081 4028 R CB 0.357 30.656 30.300 -0.002 0.000 0.984 4028 R HN 0.691 nan 8.270 nan 0.000 0.448 4029 L N 2.036 123.246 121.223 -0.021 0.000 1.989 4029 L HA -0.158 4.182 4.340 0.000 0.000 0.211 4029 L C 1.973 178.825 176.870 -0.029 0.000 1.071 4029 L CA 2.139 56.956 54.840 -0.038 0.000 0.749 4029 L CB -0.652 41.368 42.059 -0.065 0.000 0.890 4029 L HN 1.017 nan 8.230 nan 0.000 0.431 4030 G N -0.073 108.713 108.800 -0.024 0.000 2.517 4030 G HA2 -0.273 3.687 3.960 0.000 0.000 0.222 4030 G HA3 -0.273 3.687 3.960 0.000 0.000 0.222 4030 G C 0.880 175.773 174.900 -0.011 0.000 1.109 4030 G CA 1.013 46.102 45.100 -0.018 0.000 0.746 4030 G HN 0.726 nan 8.290 nan 0.000 0.576 4031 E N 0.036 120.231 120.200 -0.008 0.000 2.939 4031 E HA 0.221 4.571 4.350 0.000 0.000 0.215 4031 E C -1.058 175.542 176.600 0.000 0.000 1.025 4031 E CA -0.566 55.833 56.400 -0.003 0.000 1.259 4031 E CB 0.439 30.139 29.700 -0.000 0.000 1.228 4031 E HN 0.062 nan 8.360 nan 0.000 0.443 4032 D N 1.385 121.783 120.400 -0.003 0.000 2.329 4032 D HA 0.153 4.794 4.640 0.000 0.000 0.232 4032 D C 0.653 176.955 176.300 0.004 0.000 1.088 4032 D CA -0.455 53.546 54.000 0.002 0.000 0.835 4032 D CB 1.020 41.818 40.800 -0.003 0.000 1.078 4032 D HN 0.003 nan 8.370 nan 0.000 0.495 4033 R N 1.476 121.982 120.500 0.010 0.000 2.173 4033 R HA -0.026 4.314 4.340 0.000 0.000 0.208 4033 R C 1.903 178.212 176.300 0.015 0.000 1.035 4033 R CA 0.468 56.574 56.100 0.011 0.000 1.004 4033 R CB -0.596 29.711 30.300 0.011 0.000 0.917 4033 R HN 0.455 nan 8.270 nan 0.000 0.462 4034 S N -0.079 115.634 115.700 0.022 0.000 2.489 4034 S HA -0.065 4.405 4.470 0.000 0.000 0.228 4034 S C 1.897 176.516 174.600 0.032 0.000 0.995 4034 S CA 0.522 58.740 58.200 0.031 0.000 0.934 4034 S CB -0.011 63.215 63.200 0.044 0.000 0.771 4034 S HN 0.050 nan 8.310 nan 0.000 0.522 4035 M N 2.362 121.975 119.600 0.021 0.000 2.200 4035 M HA 0.175 4.655 4.480 0.000 0.000 0.265 4035 M C -0.507 175.798 176.300 0.008 0.000 1.066 4035 M CA 0.628 55.935 55.300 0.012 0.000 1.127 4035 M CB -0.755 31.840 32.600 -0.008 0.000 1.379 4035 M HN 0.045 nan 8.290 nan 0.000 0.420 4036 D N 0.787 121.191 120.400 0.007 0.000 2.601 4036 D HA -0.053 4.587 4.640 0.000 0.000 0.229 4036 D C -0.351 175.953 176.300 0.006 0.000 1.140 4036 D CA 0.327 54.330 54.000 0.005 0.000 0.862 4036 D CB 0.445 41.248 40.800 0.005 0.000 1.192 4036 D HN -0.038 nan 8.370 nan 0.000 0.480 4037 V N 3.078 122.993 119.914 0.003 0.000 2.302 4037 V HA -0.020 4.100 4.120 0.000 0.000 0.244 4037 V C 0.815 176.908 176.094 -0.001 0.000 1.160 4037 V CA 0.129 62.429 62.300 -0.000 0.000 1.127 4037 V CB -0.559 31.263 31.823 -0.003 0.000 1.253 4037 V HN 0.381 nan 8.190 nan 0.000 0.496 4038 E N 3.809 124.009 120.200 0.000 0.000 2.200 4038 E HA 0.447 4.797 4.350 0.000 0.000 0.283 4038 E C 0.035 176.631 176.600 -0.006 0.000 1.015 4038 E CA -0.464 55.935 56.400 -0.002 0.000 0.819 4038 E CB 1.081 30.781 29.700 0.000 0.000 1.081 4038 E HN 0.714 nan 8.360 nan 0.000 0.397 4039 T N 2.425 116.974 114.554 -0.009 0.000 2.856 4039 T HA 0.531 4.881 4.350 0.000 0.000 0.283 4039 T C -0.115 174.577 174.700 -0.013 0.000 1.008 4039 T CA -0.957 61.135 62.100 -0.013 0.000 0.997 4039 T CB 0.931 69.789 68.868 -0.017 0.000 0.992 4039 T HN 0.239 nan 8.240 nan 0.000 0.454 4040 I N 1.969 122.529 120.570 -0.016 0.000 2.607 4040 I HA 0.418 4.588 4.170 0.000 0.000 0.305 4040 I C 1.024 177.131 176.117 -0.015 0.000 0.995 4040 I CA -0.728 60.562 61.300 -0.016 0.000 1.148 4040 I CB 1.822 39.812 38.000 -0.017 0.000 1.323 4040 I HN 0.863 nan 8.210 nan 0.000 0.461 4041 S N 1.931 117.625 115.700 -0.010 0.000 2.568 4041 S HA 0.067 4.537 4.470 0.000 0.000 0.282 4041 S C 1.329 175.925 174.600 -0.007 0.000 1.338 4041 S CA 0.072 58.274 58.200 0.004 0.000 1.045 4041 S CB 0.405 63.623 63.200 0.030 0.000 0.873 4041 S HN 0.772 nan 8.310 nan 0.000 0.516 4042 T N 1.376 115.920 114.554 -0.017 0.000 3.067 4042 T HA 0.318 4.668 4.350 0.000 0.000 0.257 4042 T C 1.474 176.157 174.700 -0.029 0.000 1.105 4042 T CA 0.595 62.673 62.100 -0.037 0.000 1.104 4042 T CB -0.273 68.550 68.868 -0.075 0.000 0.925 4042 T HN 1.491 nan 8.240 nan 0.000 0.498 4043 G N 0.561 109.375 108.800 0.023 0.000 2.175 4043 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 4043 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 4043 G C 0.144 175.063 174.900 0.031 0.000 0.982 4043 G CA 0.133 45.285 45.100 0.088 0.000 0.641 4043 G HN 1.042 nan 8.290 nan 0.000 0.527 4044 S N -0.461 115.117 115.700 -0.205 0.000 2.779 4044 S HA 0.604 5.074 4.470 0.000 0.000 0.293 4044 S C 1.020 175.322 174.600 -0.497 0.000 1.150 4044 S CA 0.081 57.954 58.200 -0.546 0.000 1.057 4044 S CB 1.285 63.916 63.200 -0.949 0.000 1.021 4044 S HN 0.897 nan 8.310 nan 0.000 0.485 4045 L N 5.650 126.443 121.223 -0.717 0.000 1.976 4045 L HA -0.029 4.311 4.340 0.000 0.000 0.209 4045 L C 2.714 179.390 176.870 -0.323 0.000 1.071 4045 L CA 2.902 57.399 54.840 -0.573 0.000 0.746 4045 L CB -0.934 40.667 42.059 -0.763 0.000 0.890 4045 L HN 0.901 nan 8.230 nan 0.000 0.432 4046 S N -1.047 114.482 115.700 -0.285 0.000 2.420 4046 S HA -0.259 4.211 4.470 0.000 0.000 0.237 4046 S C 2.086 176.623 174.600 -0.105 0.000 1.023 4046 S CA 1.695 59.812 58.200 -0.138 0.000 0.991 4046 S CB -1.054 62.115 63.200 -0.051 0.000 0.792 4046 S HN 0.514 nan 8.310 nan 0.000 0.488 4047 L N 1.425 122.549 121.223 -0.165 0.000 2.023 4047 L HA -0.083 4.257 4.340 0.000 0.000 0.205 4047 L C 2.223 179.031 176.870 -0.104 0.000 1.073 4047 L CA 1.915 56.686 54.840 -0.114 0.000 0.745 4047 L CB -0.528 41.432 42.059 -0.164 0.000 0.900 4047 L HN 0.226 nan 8.230 nan 0.000 0.435 4048 D N 0.116 120.438 120.400 -0.130 0.000 2.133 4048 D HA -0.243 4.397 4.640 0.000 0.000 0.195 4048 D C 2.205 178.460 176.300 -0.074 0.000 0.997 4048 D CA 1.677 55.621 54.000 -0.093 0.000 0.840 4048 D CB -0.130 40.614 40.800 -0.092 0.000 0.947 4048 D HN 0.418 nan 8.370 nan 0.000 0.452 4049 I N 1.337 121.857 120.570 -0.083 0.000 2.142 4049 I HA -0.261 3.909 4.170 0.000 0.000 0.240 4049 I C 2.572 178.667 176.117 -0.037 0.000 1.078 4049 I CA 1.139 62.406 61.300 -0.055 0.000 1.343 4049 I CB -0.181 37.784 38.000 -0.058 0.000 1.046 4049 I HN -0.079 nan 8.210 nan 0.000 0.405 4050 A N 0.463 123.261 122.820 -0.037 0.000 1.972 4050 A HA -0.157 4.164 4.320 0.000 0.000 0.219 4050 A C 2.247 179.807 177.584 -0.039 0.000 1.169 4050 A CA 1.293 53.316 52.037 -0.023 0.000 0.635 4050 A CB -0.832 18.161 19.000 -0.013 0.000 0.810 4050 A HN 0.413 nan 8.150 nan 0.000 0.446 4051 L N -1.542 119.649 121.223 -0.054 0.000 2.191 4051 L HA -0.048 4.292 4.340 0.000 0.000 0.212 4051 L C 2.260 179.093 176.870 -0.060 0.000 1.103 4051 L CA 0.961 55.762 54.840 -0.066 0.000 0.769 4051 L CB -0.384 41.636 42.059 -0.065 0.000 0.908 4051 L HN 0.622 nan 8.230 nan 0.000 0.438 4052 G N -0.794 107.981 108.800 -0.042 0.000 2.396 4052 G HA2 -0.404 3.556 3.960 0.000 0.000 0.242 4052 G HA3 -0.404 3.556 3.960 0.000 0.000 0.242 4052 G C 0.959 175.843 174.900 -0.026 0.000 1.069 4052 G CA 0.475 45.558 45.100 -0.029 0.000 0.633 4052 G HN 0.504 nan 8.290 nan 0.000 0.517 4053 A N 0.284 123.082 122.820 -0.037 0.000 2.387 4053 A HA 0.619 4.939 4.320 0.000 0.000 0.234 4053 A C 2.334 179.902 177.584 -0.026 0.000 1.253 4053 A CA 1.620 53.639 52.037 -0.029 0.000 0.894 4053 A CB -0.405 18.573 19.000 -0.036 0.000 0.963 4053 A HN 2.494 nan 8.150 nan 0.000 0.508 4054 G N -2.301 106.480 108.800 -0.031 0.000 2.143 4054 G HA2 0.246 4.206 3.960 0.000 0.000 0.249 4054 G HA3 0.246 4.206 3.960 0.000 0.000 0.249 4054 G C 0.990 175.871 174.900 -0.032 0.000 0.981 4054 G CA 0.514 45.596 45.100 -0.030 0.000 0.665 4054 G HN 2.224 nan 8.290 nan 0.000 0.528 4055 G N -1.596 107.182 108.800 -0.038 0.000 2.345 4055 G HA2 0.477 4.437 3.960 0.000 0.000 0.285 4055 G HA3 0.477 4.437 3.960 0.000 0.000 0.285 4055 G C -0.888 173.989 174.900 -0.037 0.000 1.297 4055 G CA -0.486 44.592 45.100 -0.037 0.000 0.875 4055 G HN 0.932 nan 8.290 nan 0.000 0.506 4056 L N 2.234 123.438 121.223 -0.032 0.000 2.276 4056 L HA 0.410 4.751 4.340 0.000 0.000 0.286 4056 L C -1.861 174.996 176.870 -0.021 0.000 1.061 4056 L CA -1.762 53.060 54.840 -0.029 0.000 0.807 4056 L CB 1.494 43.537 42.059 -0.026 0.000 1.177 4056 L HN 0.298 nan 8.230 nan 0.000 0.429 4057 P HA 0.055 nan 4.420 nan 0.000 0.271 4057 P C -0.661 176.639 177.300 -0.001 0.000 1.220 4057 P CA -0.267 62.827 63.100 -0.009 0.000 0.768 4057 P CB 0.709 32.404 31.700 -0.009 0.000 0.848 4058 M N 2.183 121.784 119.600 0.001 0.000 2.217 4058 M HA 0.243 4.723 4.480 0.000 0.000 0.354 4058 M C 1.636 177.945 176.300 0.015 0.000 1.225 4058 M CA 0.554 55.857 55.300 0.004 0.000 1.137 4058 M CB -0.531 32.070 32.600 0.001 0.000 1.576 4058 M HN 0.833 nan 8.290 nan 0.000 0.461 4059 G N 2.435 111.245 108.800 0.016 0.000 2.179 4059 G HA2 -0.196 3.764 3.960 0.000 0.000 0.260 4059 G HA3 -0.196 3.764 3.960 0.000 0.000 0.260 4059 G C 0.354 175.281 174.900 0.044 0.000 0.977 4059 G CA -0.121 44.994 45.100 0.025 0.000 0.641 4059 G HN 0.547 nan 8.290 nan 0.000 0.533 4060 R N -0.704 119.824 120.500 0.046 0.000 2.893 4060 R HA 0.809 5.149 4.340 0.000 0.000 0.245 4060 R C -0.248 176.102 176.300 0.083 0.000 1.192 4060 R CA -0.940 55.202 56.100 0.070 0.000 1.077 4060 R CB 0.527 30.858 30.300 0.052 0.000 1.253 4060 R HN 0.183 nan 8.270 nan 0.000 0.505 4061 I N 0.190 120.832 120.570 0.120 0.000 2.441 4061 I HA 0.339 4.510 4.170 0.000 0.000 0.295 4061 I C -0.296 175.901 176.117 0.132 0.000 0.994 4061 I CA -0.680 60.719 61.300 0.165 0.000 1.144 4061 I CB 1.861 40.005 38.000 0.241 0.000 1.314 4061 I HN 0.045 nan 8.210 nan 0.000 0.445 4062 V N 4.794 124.789 119.914 0.135 0.000 2.588 4062 V HA 0.431 4.551 4.120 0.000 0.000 0.304 4062 V C -0.343 175.830 176.094 0.132 0.000 1.042 4062 V CA -0.735 61.616 62.300 0.085 0.000 0.877 4062 V CB 1.849 33.687 31.823 0.025 0.000 0.996 4062 V HN 0.756 nan 8.190 nan 0.000 0.425 4063 E N 4.253 124.508 120.200 0.091 0.000 2.151 4063 E HA 0.620 4.970 4.350 0.000 0.000 0.275 4063 E C -1.392 175.215 176.600 0.011 0.000 0.936 4063 E CA -0.566 55.898 56.400 0.108 0.000 0.777 4063 E CB 1.398 31.169 29.700 0.118 0.000 1.108 4063 E HN 0.634 nan 8.360 nan 0.000 0.401 4064 I N 5.742 126.331 120.570 0.031 0.000 2.389 4064 I HA 0.297 4.467 4.170 0.000 0.000 0.288 4064 I C -0.889 175.260 176.117 0.053 0.000 0.999 4064 I CA -0.978 60.295 61.300 -0.044 0.000 1.129 4064 I CB 0.646 38.641 38.000 -0.007 0.000 1.288 4064 I HN 0.477 nan 8.210 nan 0.000 0.444 4065 Y N 4.227 124.554 120.300 0.045 0.000 2.602 4065 Y HA 1.009 5.559 4.550 0.000 0.000 0.342 4065 Y C -0.133 175.816 175.900 0.080 0.000 1.029 4065 Y CA -1.687 56.445 58.100 0.054 0.000 1.080 4065 Y CB 1.708 40.182 38.460 0.024 0.000 1.284 4065 Y HN 0.675 nan 8.280 nan 0.000 0.485 4066 G N 0.478 109.543 108.800 0.442 0.000 2.316 4066 G HA2 0.419 4.379 3.960 0.000 0.000 0.296 4066 G HA3 0.419 4.379 3.960 0.000 0.000 0.296 4066 G C -3.563 171.572 174.900 0.392 0.000 1.399 4066 G CA -1.352 43.958 45.100 0.350 0.000 0.833 4066 G HN 0.499 nan 8.290 nan 0.000 0.565 4067 P HA 0.249 nan 4.420 nan 0.000 0.269 4067 P C -0.158 177.069 177.300 -0.121 0.000 1.217 4067 P CA -0.036 63.134 63.100 0.116 0.000 0.783 4067 P CB 0.240 31.951 31.700 0.018 0.000 0.898 4068 E N 0.579 120.221 120.200 -0.930 0.000 2.502 4068 E HA 0.112 4.462 4.350 0.000 0.000 0.261 4068 E C 0.452 176.887 176.600 -0.275 0.000 0.974 4068 E CA 0.242 56.170 56.400 -0.786 0.000 0.936 4068 E CB -0.583 28.495 29.700 -1.037 0.000 0.926 4068 E HN 0.299 nan 8.360 nan 0.000 0.459 4069 S N 0.442 116.069 115.700 -0.123 0.000 2.981 4069 S HA -0.283 4.187 4.470 0.000 0.000 0.274 4069 S C 1.448 176.069 174.600 0.035 0.000 1.297 4069 S CA 1.182 59.359 58.200 -0.038 0.000 1.266 4069 S CB -1.784 61.381 63.200 -0.058 0.000 1.542 4069 S HN 0.782 nan 8.310 nan 0.000 0.674 4070 S N 0.557 116.281 115.700 0.039 0.000 2.359 4070 S HA 0.219 4.689 4.470 0.000 0.000 0.224 4070 S C 1.748 176.407 174.600 0.098 0.000 1.035 4070 S CA 1.617 59.859 58.200 0.071 0.000 1.018 4070 S CB -0.520 62.736 63.200 0.093 0.000 0.876 4070 S HN 2.081 nan 8.310 nan 0.000 0.448 4071 G N 0.428 109.302 108.800 0.124 0.000 2.240 4071 G HA2 -0.094 3.866 3.960 0.000 0.000 0.181 4071 G HA3 -0.094 3.866 3.960 0.000 0.000 0.181 4071 G C 0.518 175.514 174.900 0.161 0.000 1.028 4071 G CA 0.137 45.333 45.100 0.160 0.000 0.760 4071 G HN 0.436 nan 8.290 nan 0.000 0.508 4072 K N 0.064 120.553 120.400 0.147 0.000 1.987 4072 K HA -0.096 4.224 4.320 0.000 0.000 0.216 4072 K C 2.579 179.266 176.600 0.144 0.000 1.051 4072 K CA 2.165 58.535 56.287 0.137 0.000 0.942 4072 K CB -0.441 32.146 32.500 0.146 0.000 0.722 4072 K HN 0.238 nan 8.250 nan 0.000 0.444 4073 T N 0.958 115.612 114.554 0.167 0.000 2.665 4073 T HA -0.182 4.168 4.350 0.000 0.000 0.268 4073 T C 1.962 176.793 174.700 0.218 0.000 1.035 4073 T CA 2.032 64.262 62.100 0.217 0.000 1.151 4073 T CB -0.575 68.434 68.868 0.234 0.000 0.862 4073 T HN 0.332 nan 8.240 nan 0.000 0.438 4074 T N 2.538 117.220 114.554 0.213 0.000 2.580 4074 T HA -0.104 4.246 4.350 0.000 0.000 0.265 4074 T C 1.888 176.683 174.700 0.157 0.000 1.063 4074 T CA 1.306 63.533 62.100 0.211 0.000 1.170 4074 T CB -0.733 68.295 68.868 0.266 0.000 0.863 4074 T HN 0.233 nan 8.240 nan 0.000 0.418 4075 L N 0.352 121.671 121.223 0.160 0.000 1.990 4075 L HA -0.235 4.105 4.340 0.000 0.000 0.213 4075 L C 2.701 179.623 176.870 0.088 0.000 1.072 4075 L CA 1.856 56.770 54.840 0.124 0.000 0.755 4075 L CB -0.913 41.224 42.059 0.129 0.000 0.889 4075 L HN 0.339 nan 8.230 nan 0.000 0.432 4076 T N 0.455 115.069 114.554 0.100 0.000 2.592 4076 T HA -0.307 4.043 4.350 0.000 0.000 0.267 4076 T C 1.804 176.570 174.700 0.110 0.000 1.060 4076 T CA 2.340 64.495 62.100 0.091 0.000 1.167 4076 T CB -0.408 68.533 68.868 0.120 0.000 0.863 4076 T HN 0.307 nan 8.240 nan 0.000 0.431 4077 L N 0.759 122.069 121.223 0.145 0.000 2.083 4077 L HA -0.115 4.225 4.340 0.000 0.000 0.209 4077 L C 2.967 179.858 176.870 0.035 0.000 1.083 4077 L CA 1.155 56.055 54.840 0.099 0.000 0.752 4077 L CB -0.488 41.600 42.059 0.048 0.000 0.899 4077 L HN 0.247 nan 8.230 nan 0.000 0.433 4078 Q N -0.408 119.410 119.800 0.030 0.000 2.224 4078 Q HA -0.136 4.204 4.340 0.000 0.000 0.203 4078 Q C 2.394 178.392 176.000 -0.002 0.000 0.970 4078 Q CA 1.808 57.614 55.803 0.005 0.000 0.865 4078 Q CB -0.234 28.514 28.738 0.018 0.000 0.922 4078 Q HN 0.634 nan 8.270 nan 0.000 0.445 4079 V N -2.492 117.427 119.914 0.008 0.000 2.788 4079 V HA -0.078 4.042 4.120 0.000 0.000 0.251 4079 V C 1.994 178.085 176.094 -0.005 0.000 1.068 4079 V CA 0.766 63.064 62.300 -0.004 0.000 1.090 4079 V CB -0.464 31.356 31.823 -0.005 0.000 0.710 4079 V HN 0.136 nan 8.190 nan 0.000 0.467 4080 I N 1.140 121.717 120.570 0.010 0.000 2.163 4080 I HA -0.111 4.059 4.170 0.000 0.000 0.240 4080 I C 3.032 179.143 176.117 -0.010 0.000 1.081 4080 I CA 1.582 62.890 61.300 0.013 0.000 1.353 4080 I CB -0.760 37.272 38.000 0.054 0.000 1.054 4080 I HN 0.408 nan 8.210 nan 0.000 0.407 4081 A N 1.031 123.838 122.820 -0.022 0.000 1.869 4081 A HA -0.275 4.045 4.320 0.000 0.000 0.218 4081 A C 2.404 179.955 177.584 -0.055 0.000 1.203 4081 A CA 2.394 54.404 52.037 -0.044 0.000 0.638 4081 A CB -1.044 17.922 19.000 -0.057 0.000 0.831 4081 A HN 0.469 nan 8.150 nan 0.000 0.450 4082 A N -1.224 121.559 122.820 -0.061 0.000 2.209 4082 A HA 0.404 4.724 4.320 0.000 0.000 0.212 4082 A C 2.152 179.703 177.584 -0.055 0.000 1.158 4082 A CA 1.520 53.510 52.037 -0.078 0.000 0.742 4082 A CB -0.603 18.343 19.000 -0.089 0.000 0.790 4082 A HN 0.987 nan 8.150 nan 0.000 0.472 4083 A N -0.833 121.965 122.820 -0.038 0.000 1.943 4083 A HA -0.006 4.314 4.320 0.000 0.000 0.213 4083 A C 1.973 179.539 177.584 -0.029 0.000 1.181 4083 A CA 1.007 53.026 52.037 -0.029 0.000 0.653 4083 A CB -0.284 18.704 19.000 -0.020 0.000 0.833 4083 A HN 0.526 nan 8.150 nan 0.000 0.451 4084 Q N -0.984 118.798 119.800 -0.029 0.000 2.369 4084 Q HA -0.036 4.304 4.340 0.000 0.000 0.206 4084 Q C 1.978 177.956 176.000 -0.037 0.000 0.963 4084 Q CA 0.798 56.584 55.803 -0.029 0.000 0.894 4084 Q CB -0.010 28.712 28.738 -0.027 0.000 0.965 4084 Q HN 0.497 nan 8.270 nan 0.000 0.475 4085 R N 0.739 121.210 120.500 -0.048 0.000 2.276 4085 R HA -0.044 4.296 4.340 0.000 0.000 0.203 4085 R C 0.637 176.906 176.300 -0.052 0.000 1.017 4085 R CA 0.859 56.924 56.100 -0.058 0.000 1.010 4085 R CB 0.391 30.641 30.300 -0.083 0.000 0.900 4085 R HN 0.165 nan 8.270 nan 0.000 0.469 4086 E N -1.481 118.693 120.200 -0.043 0.000 2.624 4086 E HA 0.193 4.544 4.350 0.000 0.000 0.210 4086 E C -0.058 176.526 176.600 -0.027 0.000 0.997 4086 E CA 0.267 56.645 56.400 -0.035 0.000 0.999 4086 E CB 1.247 30.926 29.700 -0.034 0.000 1.040 4086 E HN 0.374 nan 8.360 nan 0.000 0.469 4087 G N 2.480 111.264 108.800 -0.026 0.000 2.225 4087 G HA2 -0.304 3.656 3.960 0.000 0.000 0.264 4087 G HA3 -0.304 3.656 3.960 0.000 0.000 0.264 4087 G C -0.144 174.746 174.900 -0.016 0.000 1.060 4087 G CA 0.320 45.408 45.100 -0.020 0.000 0.833 4087 G HN 0.104 nan 8.290 nan 0.000 0.498 4088 K N 0.167 120.557 120.400 -0.017 0.000 2.208 4088 K HA 0.612 4.932 4.320 0.000 0.000 0.247 4088 K C 0.143 176.736 176.600 -0.012 0.000 0.953 4088 K CA -0.505 55.774 56.287 -0.014 0.000 0.837 4088 K CB 1.425 33.916 32.500 -0.015 0.000 1.131 4088 K HN 0.168 nan 8.250 nan 0.000 0.431 4089 T N 0.316 114.865 114.554 -0.009 0.000 2.837 4089 T HA 0.370 4.720 4.350 0.000 0.000 0.285 4089 T C -0.157 174.540 174.700 -0.004 0.000 0.984 4089 T CA -0.708 61.389 62.100 -0.005 0.000 1.049 4089 T CB 0.338 69.204 68.868 -0.003 0.000 0.947 4089 T HN 0.511 nan 8.240 nan 0.000 0.472 4090 C N 2.186 121.488 119.300 0.004 0.000 2.507 4090 C HA 0.941 5.401 4.460 0.000 0.000 0.319 4090 C C 0.525 175.530 174.990 0.026 0.000 1.208 4090 C CA -0.946 58.079 59.018 0.011 0.000 1.619 4090 C CB 0.568 28.324 27.740 0.027 0.000 2.230 4090 C HN 1.122 nan 8.230 nan 0.000 0.492 4091 A N 1.743 124.573 122.820 0.017 0.000 2.374 4091 A HA 0.889 5.209 4.320 0.000 0.000 0.317 4091 A C -1.368 176.244 177.584 0.046 0.000 1.094 4091 A CA -0.286 51.769 52.037 0.030 0.000 0.765 4091 A CB 0.986 19.980 19.000 -0.010 0.000 1.268 4091 A HN 0.834 nan 8.150 nan 0.000 0.438 4092 F N 2.704 122.611 119.950 -0.072 0.000 2.529 4092 F HA 0.591 5.118 4.527 0.000 0.000 0.320 4092 F C -0.738 175.004 175.800 -0.097 0.000 1.118 4092 F CA -0.828 57.122 58.000 -0.083 0.000 0.915 4092 F CB 1.632 40.594 39.000 -0.063 0.000 1.161 4092 F HN 0.374 nan 8.300 nan 0.000 0.445 4093 I N 4.597 125.021 120.570 -0.243 0.000 2.442 4093 I HA 0.133 4.303 4.170 0.000 0.000 0.279 4093 I C -0.183 175.887 176.117 -0.078 0.000 1.081 4093 I CA -0.421 60.799 61.300 -0.133 0.000 1.197 4093 I CB 0.412 38.283 38.000 -0.215 0.000 1.394 4093 I HN 0.516 nan 8.210 nan 0.000 0.488 4094 D N 4.815 125.323 120.400 0.180 0.000 2.767 4094 D HA 0.249 4.889 4.640 0.000 0.000 0.231 4094 D C 1.435 177.654 176.300 -0.136 0.000 1.105 4094 D CA 0.081 54.188 54.000 0.178 0.000 1.024 4094 D CB 0.645 41.518 40.800 0.122 0.000 1.123 4094 D HN 0.587 nan 8.370 nan 0.000 0.470 4095 A N 1.710 124.469 122.820 -0.102 0.000 2.019 4095 A HA -0.157 4.163 4.320 0.000 0.000 0.219 4095 A C 1.987 179.585 177.584 0.024 0.000 1.164 4095 A CA 0.925 52.911 52.037 -0.086 0.000 0.644 4095 A CB -0.290 18.697 19.000 -0.023 0.000 0.805 4095 A HN 0.512 nan 8.150 nan 0.000 0.449 4096 E N -1.086 119.117 120.200 0.005 0.000 2.274 4096 E HA -0.135 4.215 4.350 0.000 0.000 0.194 4096 E C -0.432 176.269 176.600 0.168 0.000 0.996 4096 E CA 0.235 56.647 56.400 0.020 0.000 0.840 4096 E CB -0.145 29.532 29.700 -0.038 0.000 0.772 4096 E HN 0.689 nan 8.360 nan 0.000 0.491 4097 H N -1.948 117.158 119.070 0.061 0.000 2.677 4097 H HA -0.200 4.356 4.556 0.000 0.000 0.321 4097 H C -0.359 174.998 175.328 0.047 0.000 1.171 4097 H CA 0.680 56.764 56.048 0.060 0.000 1.139 4097 H CB -1.471 28.331 29.762 0.067 0.000 1.515 4097 H HN 0.265 nan 8.280 nan 0.000 0.423 4098 A N 0.678 123.557 122.820 0.099 0.000 2.683 4098 A HA 0.259 4.579 4.320 0.000 0.000 0.207 4098 A C -0.149 177.451 177.584 0.027 0.000 0.945 4098 A CA -0.499 51.576 52.037 0.063 0.000 1.233 4098 A CB 0.416 19.454 19.000 0.063 0.000 1.227 4098 A HN 0.137 nan 8.150 nan 0.000 0.470 4099 L N 0.901 122.115 121.223 -0.014 0.000 2.305 4099 L HA 0.586 4.926 4.340 0.000 0.000 0.281 4099 L C -0.532 176.297 176.870 -0.070 0.000 1.085 4099 L CA -0.023 54.759 54.840 -0.096 0.000 0.813 4099 L CB 0.958 42.823 42.059 -0.324 0.000 1.157 4099 L HN 0.232 nan 8.230 nan 0.000 0.436 4100 D N 7.271 127.658 120.400 -0.022 0.000 2.347 4100 D HA 0.246 4.886 4.640 0.000 0.000 0.235 4100 D C -1.823 174.481 176.300 0.005 0.000 1.149 4100 D CA -2.125 51.883 54.000 0.013 0.000 0.850 4100 D CB 1.622 42.455 40.800 0.054 0.000 1.061 4100 D HN 0.356 nan 8.370 nan 0.000 0.487 4101 P HA -0.193 nan 4.420 nan 0.000 0.212 4101 P C 1.741 179.038 177.300 -0.006 0.000 1.178 4101 P CA 0.890 63.965 63.100 -0.041 0.000 0.915 4101 P CB 0.350 32.031 31.700 -0.033 0.000 0.788 4102 I N -1.782 118.801 120.570 0.022 0.000 2.185 4102 I HA -0.287 3.883 4.170 0.000 0.000 0.246 4102 I C 2.735 178.904 176.117 0.087 0.000 1.088 4102 I CA 1.720 63.045 61.300 0.042 0.000 1.347 4102 I CB -1.326 36.701 38.000 0.045 0.000 1.041 4102 I HN -0.106 nan 8.210 nan 0.000 0.415 4103 Y N 1.239 121.522 120.300 -0.027 0.000 2.163 4103 Y HA -0.221 4.329 4.550 0.000 0.000 0.288 4103 Y C 2.525 178.412 175.900 -0.022 0.000 1.136 4103 Y CA 1.156 59.247 58.100 -0.014 0.000 1.147 4103 Y CB -0.839 37.614 38.460 -0.010 0.000 0.987 4103 Y HN 0.130 nan 8.280 nan 0.000 0.509 4104 A N 0.691 123.490 122.820 -0.035 0.000 1.940 4104 A HA -0.321 3.999 4.320 0.000 0.000 0.221 4104 A C 2.458 179.953 177.584 -0.149 0.000 1.190 4104 A CA 2.264 54.219 52.037 -0.137 0.000 0.647 4104 A CB -0.936 17.986 19.000 -0.129 0.000 0.821 4104 A HN 0.532 nan 8.150 nan 0.000 0.457 4105 R N -0.254 120.190 120.500 -0.093 0.000 2.081 4105 R HA -0.125 4.215 4.340 0.000 0.000 0.235 4105 R C 1.920 178.161 176.300 -0.098 0.000 1.131 4105 R CA 1.828 57.882 56.100 -0.076 0.000 0.960 4105 R CB -0.257 30.019 30.300 -0.040 0.000 0.856 4105 R HN 0.546 nan 8.270 nan 0.000 0.436 4106 K N 0.260 120.590 120.400 -0.118 0.000 2.442 4106 K HA -0.039 4.281 4.320 0.000 0.000 0.198 4106 K C 1.518 178.000 176.600 -0.197 0.000 1.042 4106 K CA 0.574 56.789 56.287 -0.120 0.000 0.958 4106 K CB 0.124 32.596 32.500 -0.046 0.000 0.766 4106 K HN 0.271 nan 8.250 nan 0.000 0.474 4107 L N -0.523 120.536 121.223 -0.274 0.000 2.607 4107 L HA 0.137 4.477 4.340 0.000 0.000 0.228 4107 L C 0.906 177.699 176.870 -0.129 0.000 1.123 4107 L CA 0.198 54.898 54.840 -0.235 0.000 0.890 4107 L CB 0.202 42.077 42.059 -0.307 0.000 1.103 4107 L HN 0.375 nan 8.230 nan 0.000 0.468 4108 G N 0.504 109.239 108.800 -0.107 0.000 2.132 4108 G HA2 -0.226 3.734 3.960 0.000 0.000 0.234 4108 G HA3 -0.226 3.734 3.960 0.000 0.000 0.234 4108 G C 0.082 174.939 174.900 -0.071 0.000 0.989 4108 G CA -0.071 44.983 45.100 -0.078 0.000 0.676 4108 G HN 0.096 nan 8.290 nan 0.000 0.522 4109 V N 0.602 120.469 119.914 -0.077 0.000 2.546 4109 V HA 0.427 4.547 4.120 0.000 0.000 0.284 4109 V C 0.425 176.486 176.094 -0.054 0.000 1.050 4109 V CA -0.446 61.817 62.300 -0.062 0.000 0.981 4109 V CB 1.748 33.529 31.823 -0.070 0.000 0.990 4109 V HN 0.267 nan 8.190 nan 0.000 0.474 4110 D N 3.854 124.229 120.400 -0.041 0.000 2.435 4110 D HA 0.206 4.846 4.640 0.000 0.000 0.230 4110 D C 1.120 177.400 176.300 -0.034 0.000 1.215 4110 D CA -0.281 53.698 54.000 -0.035 0.000 0.947 4110 D CB 0.509 41.292 40.800 -0.028 0.000 1.048 4110 D HN 0.280 nan 8.370 nan 0.000 0.512 4111 I N 2.121 122.668 120.570 -0.039 0.000 2.208 4111 I HA -0.233 3.937 4.170 0.000 0.000 0.245 4111 I C 1.545 177.644 176.117 -0.030 0.000 1.097 4111 I CA 1.135 62.410 61.300 -0.042 0.000 1.363 4111 I CB -0.592 37.383 38.000 -0.041 0.000 1.051 4111 I HN 0.355 nan 8.210 nan 0.000 0.413 4112 D N 0.538 120.924 120.400 -0.024 0.000 2.219 4112 D HA -0.128 4.512 4.640 0.000 0.000 0.205 4112 D C 1.620 177.912 176.300 -0.013 0.000 0.970 4112 D CA 0.890 54.880 54.000 -0.017 0.000 0.851 4112 D CB -0.187 40.605 40.800 -0.015 0.000 0.943 4112 D HN 0.299 nan 8.370 nan 0.000 0.488 4113 N N -0.050 118.642 118.700 -0.014 0.000 2.205 4113 N HA 0.035 4.775 4.740 0.000 0.000 0.201 4113 N C -0.104 175.402 175.510 -0.005 0.000 1.128 4113 N CA -0.144 52.900 53.050 -0.010 0.000 0.867 4113 N CB 0.854 39.334 38.487 -0.012 0.000 0.996 4113 N HN 0.140 nan 8.380 nan 0.000 0.503 4114 L N 2.196 123.415 121.223 -0.007 0.000 2.265 4114 L HA 0.368 4.708 4.340 0.000 0.000 0.288 4114 L C -0.362 176.515 176.870 0.012 0.000 1.058 4114 L CA -0.206 54.637 54.840 0.004 0.000 0.809 4114 L CB 0.402 42.457 42.059 -0.008 0.000 1.179 4114 L HN -0.048 nan 8.230 nan 0.000 0.429 4115 L N 5.285 126.525 121.223 0.027 0.000 2.416 4115 L HA 0.186 4.526 4.340 0.000 0.000 0.272 4115 L C -0.172 176.734 176.870 0.059 0.000 1.161 4115 L CA 0.031 54.891 54.840 0.032 0.000 0.845 4115 L CB 1.254 43.330 42.059 0.027 0.000 1.119 4115 L HN 0.755 nan 8.230 nan 0.000 0.464 4116 C N 3.449 122.777 119.300 0.046 0.000 2.481 4116 C HA 0.615 5.075 4.460 0.000 0.000 0.324 4116 C C -0.187 174.827 174.990 0.040 0.000 1.170 4116 C CA -0.458 58.598 59.018 0.063 0.000 1.361 4116 C CB 1.367 29.110 27.740 0.005 0.000 1.977 4116 C HN 0.805 nan 8.230 nan 0.000 0.459 4117 S N 4.291 120.019 115.700 0.046 0.000 2.502 4117 S HA 0.543 5.013 4.470 0.000 0.000 0.304 4117 S C -0.909 173.664 174.600 -0.046 0.000 1.097 4117 S CA -0.275 57.922 58.200 -0.004 0.000 1.045 4117 S CB 1.234 64.417 63.200 -0.030 0.000 1.019 4117 S HN 0.867 nan 8.310 nan 0.000 0.481 4118 Q N 4.813 124.569 119.800 -0.074 0.000 2.636 4118 Q HA 0.326 4.666 4.340 0.000 0.000 0.233 4118 Q C -2.346 173.611 176.000 -0.072 0.000 1.143 4118 Q CA -1.968 53.714 55.803 -0.202 0.000 0.969 4118 Q CB 1.174 29.820 28.738 -0.154 0.000 1.185 4118 Q HN 0.538 nan 8.270 nan 0.000 0.546 4119 P HA 0.033 nan 4.420 nan 0.000 0.277 4119 P C -0.280 177.063 177.300 0.071 0.000 1.240 4119 P CA -0.155 62.918 63.100 -0.044 0.000 0.798 4119 P CB 1.460 33.090 31.700 -0.117 0.000 0.979 4120 D N 0.187 120.613 120.400 0.045 0.000 2.085 4120 D HA -0.049 4.591 4.640 0.000 0.000 0.199 4120 D C 1.004 177.333 176.300 0.048 0.000 0.981 4120 D CA 1.700 55.743 54.000 0.072 0.000 0.834 4120 D CB -0.479 40.345 40.800 0.041 0.000 0.992 4120 D HN 0.495 nan 8.370 nan 0.000 0.457 4121 T N -2.539 112.011 114.554 -0.007 0.000 2.929 4121 T HA 0.506 4.856 4.350 0.000 0.000 0.284 4121 T C 1.354 176.032 174.700 -0.037 0.000 1.014 4121 T CA -0.354 61.736 62.100 -0.017 0.000 1.051 4121 T CB 2.031 70.883 68.868 -0.027 0.000 1.028 4121 T HN 0.003 nan 8.240 nan 0.000 0.485 4122 G N 0.912 109.701 108.800 -0.019 0.000 2.402 4122 G HA2 -0.104 3.856 3.960 0.000 0.000 0.216 4122 G HA3 -0.104 3.856 3.960 0.000 0.000 0.216 4122 G C 1.139 176.015 174.900 -0.040 0.000 1.162 4122 G CA 0.681 45.771 45.100 -0.018 0.000 0.777 4122 G HN 0.814 nan 8.290 nan 0.000 0.539 4123 E N 0.113 120.288 120.200 -0.041 0.000 2.048 4123 E HA -0.221 4.129 4.350 0.000 0.000 0.202 4123 E C 2.406 178.948 176.600 -0.095 0.000 1.021 4123 E CA 1.626 58.002 56.400 -0.039 0.000 0.825 4123 E CB -0.341 29.349 29.700 -0.017 0.000 0.756 4123 E HN 0.606 nan 8.360 nan 0.000 0.454 4124 Q N 0.064 119.754 119.800 -0.183 0.000 2.029 4124 Q HA -0.321 4.019 4.340 0.000 0.000 0.209 4124 Q C 2.178 177.930 176.000 -0.414 0.000 0.999 4124 Q CA 2.170 57.677 55.803 -0.494 0.000 0.857 4124 Q CB -0.346 28.110 28.738 -0.470 0.000 0.926 4124 Q HN 0.330 nan 8.270 nan 0.000 0.415 4125 A N 0.292 122.974 122.820 -0.229 0.000 1.903 4125 A HA -0.235 4.085 4.320 0.000 0.000 0.219 4125 A C 2.047 179.561 177.584 -0.117 0.000 1.191 4125 A CA 1.946 53.889 52.037 -0.156 0.000 0.638 4125 A CB -0.847 18.104 19.000 -0.083 0.000 0.823 4125 A HN 0.477 nan 8.150 nan 0.000 0.451 4126 L N -1.419 119.763 121.223 -0.069 0.000 2.068 4126 L HA -0.075 4.265 4.340 0.000 0.000 0.204 4126 L C 2.615 179.481 176.870 -0.008 0.000 1.076 4126 L CA 1.052 55.885 54.840 -0.012 0.000 0.753 4126 L CB -0.506 41.568 42.059 0.025 0.000 0.910 4126 L HN 0.280 nan 8.230 nan 0.000 0.439 4127 E N 0.515 120.710 120.200 -0.009 0.000 2.171 4127 E HA -0.231 4.119 4.350 0.000 0.000 0.197 4127 E C 2.194 178.856 176.600 0.102 0.000 0.997 4127 E CA 1.386 57.839 56.400 0.088 0.000 0.810 4127 E CB -0.141 29.701 29.700 0.236 0.000 0.738 4127 E HN 0.512 nan 8.360 nan 0.000 0.467 4128 I N -0.275 120.286 120.570 -0.015 0.000 2.202 4128 I HA -0.307 3.863 4.170 0.000 0.000 0.242 4128 I C 2.632 178.751 176.117 0.004 0.000 1.091 4128 I CA 0.613 61.920 61.300 0.011 0.000 1.368 4128 I CB -0.305 37.642 38.000 -0.087 0.000 1.058 4128 I HN 0.126 nan 8.210 nan 0.000 0.410 4129 C N 0.512 119.794 119.300 -0.031 0.000 2.413 4129 C HA -0.230 4.230 4.460 0.000 0.000 0.276 4129 C C 2.586 177.574 174.990 -0.003 0.000 1.236 4129 C CA 1.364 60.358 59.018 -0.039 0.000 1.735 4129 C CB -0.985 26.724 27.740 -0.051 0.000 2.031 4129 C HN 0.542 nan 8.230 nan 0.000 0.474 4130 D N 0.451 120.864 120.400 0.022 0.000 2.106 4130 D HA -0.123 4.517 4.640 0.000 0.000 0.191 4130 D C 2.182 178.503 176.300 0.034 0.000 0.997 4130 D CA 1.916 55.935 54.000 0.032 0.000 0.834 4130 D CB -0.240 40.590 40.800 0.049 0.000 0.956 4130 D HN 0.419 nan 8.370 nan 0.000 0.448 4131 A N -0.295 122.559 122.820 0.057 0.000 2.015 4131 A HA -0.053 4.267 4.320 0.000 0.000 0.219 4131 A C 2.362 179.967 177.584 0.035 0.000 1.163 4131 A CA 0.829 52.900 52.037 0.056 0.000 0.646 4131 A CB -0.586 18.469 19.000 0.092 0.000 0.806 4131 A HN 0.349 nan 8.150 nan 0.000 0.448 4132 L N -1.218 120.020 121.223 0.025 0.000 2.179 4132 L HA -0.077 4.263 4.340 0.000 0.000 0.208 4132 L C 3.021 179.891 176.870 -0.001 0.000 1.096 4132 L CA 0.777 55.622 54.840 0.009 0.000 0.779 4132 L CB -0.516 41.539 42.059 -0.006 0.000 0.922 4132 L HN 0.425 nan 8.230 nan 0.000 0.443 4133 A N 0.193 123.011 122.820 -0.003 0.000 1.841 4133 A HA -0.176 4.144 4.320 0.000 0.000 0.214 4133 A C 2.377 179.960 177.584 -0.002 0.000 1.195 4133 A CA 1.169 53.202 52.037 -0.007 0.000 0.611 4133 A CB -0.533 18.462 19.000 -0.009 0.000 0.835 4133 A HN 0.215 nan 8.150 nan 0.000 0.443 4134 R N 0.230 120.733 120.500 0.005 0.000 2.154 4134 R HA -0.176 4.164 4.340 0.000 0.000 0.248 4134 R C 2.555 178.860 176.300 0.009 0.000 1.155 4134 R CA 1.826 57.931 56.100 0.008 0.000 0.979 4134 R CB -0.397 29.912 30.300 0.015 0.000 0.869 4134 R HN 0.759 nan 8.270 nan 0.000 0.452 4135 S N -1.158 114.548 115.700 0.010 0.000 2.406 4135 S HA -0.034 4.436 4.470 0.000 0.000 0.228 4135 S C 1.611 176.215 174.600 0.006 0.000 1.020 4135 S CA 0.965 59.171 58.200 0.009 0.000 0.965 4135 S CB -0.003 63.203 63.200 0.011 0.000 0.798 4135 S HN 0.522 nan 8.310 nan 0.000 0.488 4136 G N 0.771 109.573 108.800 0.003 0.000 2.166 4136 G HA2 -0.235 3.725 3.960 0.000 0.000 0.260 4136 G HA3 -0.235 3.725 3.960 0.000 0.000 0.260 4136 G C 0.846 175.747 174.900 0.001 0.000 0.986 4136 G CA 0.421 45.522 45.100 0.002 0.000 0.683 4136 G HN 1.279 nan 8.290 nan 0.000 0.527 4137 A N -1.072 121.748 122.820 0.001 0.000 1.984 4137 A HA 0.608 4.928 4.320 0.000 0.000 0.214 4137 A C 1.281 178.864 177.584 -0.002 0.000 1.173 4137 A CA 1.435 53.473 52.037 0.001 0.000 0.673 4137 A CB 0.311 19.314 19.000 0.004 0.000 0.830 4137 A HN 1.026 nan 8.150 nan 0.000 0.453 4138 V N 1.138 121.049 119.914 -0.004 0.000 2.509 4138 V HA 0.174 4.294 4.120 0.000 0.000 0.284 4138 V C 0.409 176.495 176.094 -0.012 0.000 1.047 4138 V CA -0.343 61.951 62.300 -0.009 0.000 0.952 4138 V CB 1.410 33.224 31.823 -0.015 0.000 0.988 4138 V HN 0.369 nan 8.190 nan 0.000 0.469 4139 D N 1.791 122.183 120.400 -0.013 0.000 2.262 4139 D HA 0.076 4.717 4.640 0.000 0.000 0.212 4139 D C 0.238 176.525 176.300 -0.022 0.000 0.964 4139 D CA 1.120 55.111 54.000 -0.015 0.000 0.875 4139 D CB 1.204 41.997 40.800 -0.012 0.000 0.996 4139 D HN 0.346 nan 8.370 nan 0.000 0.497 4140 V N 1.434 121.331 119.914 -0.028 0.000 2.612 4140 V HA 0.371 4.491 4.120 0.000 0.000 0.301 4140 V C -1.351 174.706 176.094 -0.063 0.000 1.059 4140 V CA -0.684 61.590 62.300 -0.044 0.000 0.886 4140 V CB 1.419 33.220 31.823 -0.036 0.000 1.007 4140 V HN -0.127 nan 8.190 nan 0.000 0.426 4141 I N 6.607 127.115 120.570 -0.102 0.000 2.460 4141 I HA 0.649 4.819 4.170 0.000 0.000 0.298 4141 I C -0.369 175.595 176.117 -0.255 0.000 0.989 4141 I CA -0.889 60.315 61.300 -0.160 0.000 1.173 4141 I CB 1.893 39.789 38.000 -0.173 0.000 1.338 4141 I HN 0.456 nan 8.210 nan 0.000 0.456 4142 V N 6.901 126.610 119.914 -0.340 0.000 2.735 4142 V HA 0.570 4.690 4.120 0.000 0.000 0.310 4142 V C -0.896 174.791 176.094 -0.679 0.000 1.061 4142 V CA -0.475 61.531 62.300 -0.491 0.000 0.913 4142 V CB 2.405 33.953 31.823 -0.457 0.000 1.005 4142 V HN 0.429 nan 8.190 nan 0.000 0.428 4143 V N 5.154 124.671 119.914 -0.662 0.000 2.349 4143 V HA 0.393 4.513 4.120 0.000 0.000 0.284 4143 V C -0.458 175.405 176.094 -0.386 0.000 1.014 4143 V CA -0.614 61.355 62.300 -0.553 0.000 0.826 4143 V CB 1.457 32.929 31.823 -0.584 0.000 1.009 4143 V HN 0.904 nan 8.190 nan 0.000 0.431 4144 D N 3.615 123.775 120.400 -0.401 0.000 2.383 4144 D HA 0.291 4.931 4.640 0.000 0.000 0.245 4144 D C 0.124 176.383 176.300 -0.067 0.000 1.263 4144 D CA 0.882 54.786 54.000 -0.160 0.000 0.936 4144 D CB 0.320 41.154 40.800 0.056 0.000 1.053 4144 D HN 0.677 nan 8.370 nan 0.000 0.507 4145 S N 1.027 116.707 115.700 -0.033 0.000 3.600 4145 S HA -0.149 4.321 4.470 0.000 0.000 0.695 4145 S C 1.188 175.803 174.600 0.026 0.000 0.535 4145 S CA 0.317 58.504 58.200 -0.022 0.000 1.453 4145 S CB -1.243 61.891 63.200 -0.111 0.000 0.928 4145 S HN 0.505 nan 8.310 nan 0.000 1.029 4146 V N 1.732 121.697 119.914 0.084 0.000 2.594 4146 V HA -0.055 4.066 4.120 0.000 0.000 0.253 4146 V C 2.260 178.382 176.094 0.046 0.000 1.069 4146 V CA 2.339 64.699 62.300 0.100 0.000 1.082 4146 V CB -0.939 30.929 31.823 0.076 0.000 0.680 4146 V HN 1.489 nan 8.190 nan 0.000 0.469 4147 A N 0.024 122.857 122.820 0.021 0.000 2.234 4147 A HA 0.292 4.612 4.320 0.000 0.000 0.216 4147 A C 2.134 179.805 177.584 0.146 0.000 1.167 4147 A CA 1.733 53.797 52.037 0.044 0.000 0.698 4147 A CB -0.685 18.312 19.000 -0.006 0.000 0.779 4147 A HN 1.275 nan 8.150 nan 0.000 0.475 4148 A N -1.461 121.427 122.820 0.113 0.000 2.508 4148 A HA 0.516 4.836 4.320 0.000 0.000 0.257 4148 A C 0.227 177.882 177.584 0.118 0.000 1.226 4148 A CA -0.286 51.856 52.037 0.175 0.000 0.947 4148 A CB 0.065 19.143 19.000 0.130 0.000 1.079 4148 A HN 0.226 nan 8.150 nan 0.000 0.531 4149 L N 2.649 123.919 121.223 0.079 0.000 2.391 4149 L HA 0.181 4.521 4.340 0.000 0.000 0.249 4149 L C 0.132 177.026 176.870 0.040 0.000 1.308 4149 L CA 0.624 55.496 54.840 0.052 0.000 1.209 4149 L CB -0.790 41.298 42.059 0.048 0.000 1.401 4149 L HN 0.139 nan 8.230 nan 0.000 0.416 4150 T N 2.298 116.881 114.554 0.049 0.000 2.814 4150 T HA 0.247 4.597 4.350 0.000 0.000 0.297 4150 T C -2.223 172.474 174.700 -0.005 0.000 0.956 4150 T CA -1.157 60.961 62.100 0.029 0.000 1.123 4150 T CB 0.474 69.365 68.868 0.039 0.000 0.902 4150 T HN 0.142 nan 8.240 nan 0.000 0.528 4151 P HA 0.161 nan 4.420 nan 0.000 0.269 4151 P C 0.971 178.221 177.300 -0.084 0.000 1.215 4151 P CA -0.560 62.503 63.100 -0.061 0.000 0.780 4151 P CB 0.795 32.444 31.700 -0.085 0.000 0.898 4152 K N 2.559 122.916 120.400 -0.072 0.000 2.000 4152 K HA -0.272 4.048 4.320 0.000 0.000 0.218 4152 K C 1.915 178.452 176.600 -0.106 0.000 1.053 4152 K CA 2.252 58.502 56.287 -0.062 0.000 0.946 4152 K CB -0.897 31.578 32.500 -0.041 0.000 0.723 4152 K HN 0.464 nan 8.250 nan 0.000 0.446 4153 A N 0.956 123.683 122.820 -0.155 0.000 1.958 4153 A HA -0.302 4.018 4.320 0.000 0.000 0.221 4153 A C 2.017 179.354 177.584 -0.412 0.000 1.178 4153 A CA 2.279 54.172 52.037 -0.240 0.000 0.642 4153 A CB -0.680 18.162 19.000 -0.263 0.000 0.816 4153 A HN 0.643 nan 8.150 nan 0.000 0.453 4154 E N -0.378 119.540 120.200 -0.469 0.000 2.072 4154 E HA -0.112 4.238 4.350 0.000 0.000 0.190 4154 E C 1.917 178.477 176.600 -0.067 0.000 0.982 4154 E CA 1.037 57.213 56.400 -0.373 0.000 0.803 4154 E CB -0.182 29.430 29.700 -0.147 0.000 0.755 4154 E HN 0.684 nan 8.360 nan 0.000 0.453 4155 I N 0.793 121.327 120.570 -0.061 0.000 2.142 4155 I HA -0.255 3.915 4.170 0.000 0.000 0.240 4155 I C 2.280 178.396 176.117 -0.002 0.000 1.078 4155 I CA 1.433 62.725 61.300 -0.013 0.000 1.343 4155 I CB -0.487 37.506 38.000 -0.011 0.000 1.046 4155 I HN 0.188 nan 8.210 nan 0.000 0.405 4156 E N 0.805 120.995 120.200 -0.017 0.000 2.106 4156 E HA -0.055 4.295 4.350 0.000 0.000 0.192 4156 E C 1.347 177.962 176.600 0.024 0.000 0.984 4156 E CA 0.654 57.054 56.400 -0.000 0.000 0.806 4156 E CB -0.204 29.491 29.700 -0.009 0.000 0.750 4156 E HN 0.511 nan 8.360 nan 0.000 0.458 4157 G N 0.811 109.635 108.800 0.041 0.000 2.684 4157 G HA2 0.030 3.990 3.960 0.000 0.000 0.255 4157 G HA3 0.030 3.990 3.960 0.000 0.000 0.255 4157 G C -0.328 174.644 174.900 0.120 0.000 1.219 4157 G CA -0.517 44.660 45.100 0.127 0.000 0.901 4157 G HN 0.059 nan 8.290 nan 0.000 0.548 4158 E N -1.179 119.085 120.200 0.107 0.000 2.369 4158 E HA 0.226 4.576 4.350 0.000 0.000 0.255 4158 E C -0.033 176.606 176.600 0.065 0.000 1.172 4158 E CA -0.297 56.141 56.400 0.063 0.000 0.932 4158 E CB 1.277 30.997 29.700 0.034 0.000 1.040 4158 E HN 0.291 nan 8.360 nan 0.000 0.454 4159 I N 1.280 121.872 120.570 0.037 0.000 2.436 4159 I HA 0.205 4.375 4.170 0.000 0.000 0.289 4159 I C 1.121 177.238 176.117 0.000 0.000 1.083 4159 I CA 0.484 61.797 61.300 0.022 0.000 1.372 4159 I CB 0.228 38.238 38.000 0.017 0.000 1.408 4159 I HN 0.854 nan 8.210 nan 0.000 0.516 4160 G N 3.876 112.662 108.800 -0.024 0.000 2.229 4160 G HA2 -0.189 3.771 3.960 0.000 0.000 0.189 4160 G HA3 -0.189 3.771 3.960 0.000 0.000 0.189 4160 G C -0.091 174.753 174.900 -0.093 0.000 1.000 4160 G CA -0.679 44.393 45.100 -0.046 0.000 0.663 4160 G HN 0.536 nan 8.290 nan 0.000 0.493 4161 D N 1.943 122.262 120.400 -0.136 0.000 2.348 4161 D HA 0.457 5.097 4.640 0.000 0.000 0.253 4161 D C 0.963 176.948 176.300 -0.525 0.000 1.161 4161 D CA 0.732 54.556 54.000 -0.292 0.000 0.876 4161 D CB 1.321 41.956 40.800 -0.274 0.000 1.160 4161 D HN 0.441 nan 8.370 nan 0.000 0.459 4162 S N 3.109 118.577 115.700 -0.386 0.000 2.423 4162 S HA 0.105 4.575 4.470 0.000 0.000 0.302 4162 S C 0.039 174.419 174.600 -0.366 0.000 1.143 4162 S CA -0.645 57.377 58.200 -0.296 0.000 1.080 4162 S CB 0.082 63.200 63.200 -0.136 0.000 1.081 4162 S HN 0.312 nan 8.310 nan 0.000 0.522 4163 H N 3.650 122.716 119.070 -0.007 0.000 2.432 4163 H HA 0.253 4.809 4.556 0.000 0.000 0.226 4163 H C -0.085 175.238 175.328 -0.009 0.000 1.634 4163 H CA -0.701 55.343 56.048 -0.007 0.000 1.253 4163 H CB -0.025 29.732 29.762 -0.007 0.000 1.584 4163 H HN 0.499 nan 8.280 nan 0.000 0.545 4164 M N 0.912 120.543 119.600 0.051 0.000 2.364 4164 M HA 0.075 4.555 4.480 0.000 0.000 0.342 4164 M C 1.202 177.522 176.300 0.033 0.000 1.601 4164 M CA 0.391 55.707 55.300 0.026 0.000 1.156 4164 M CB -0.265 32.338 32.600 0.004 0.000 1.912 4164 M HN 0.855 nan 8.290 nan 0.000 0.460 4165 G N 4.048 112.865 108.800 0.027 0.000 2.341 4165 G HA2 -0.268 3.692 3.960 0.000 0.000 0.292 4165 G HA3 -0.268 3.692 3.960 0.000 0.000 0.292 4165 G C 0.855 175.766 174.900 0.018 0.000 1.021 4165 G CA 0.554 45.663 45.100 0.015 0.000 0.905 4165 G HN 0.756 nan 8.290 nan 0.000 0.508 4166 L N -0.745 120.501 121.223 0.038 0.000 2.109 4166 L HA 0.170 4.510 4.340 0.000 0.000 0.207 4166 L C 3.097 179.965 176.870 -0.002 0.000 1.086 4166 L CA 1.923 56.776 54.840 0.021 0.000 0.760 4166 L CB -0.403 41.676 42.059 0.033 0.000 0.910 4166 L HN 0.463 nan 8.230 nan 0.000 0.437 4167 A N -0.006 122.817 122.820 0.004 0.000 1.873 4167 A HA -0.305 4.015 4.320 0.000 0.000 0.218 4167 A C 2.434 180.003 177.584 -0.024 0.000 1.193 4167 A CA 2.147 54.179 52.037 -0.009 0.000 0.629 4167 A CB -1.017 17.983 19.000 -0.000 0.000 0.826 4167 A HN 0.531 nan 8.150 nan 0.000 0.447 4168 A N 0.474 123.281 122.820 -0.021 0.000 1.858 4168 A HA -0.189 4.131 4.320 0.000 0.000 0.216 4168 A C 2.245 179.805 177.584 -0.041 0.000 1.190 4168 A CA 1.995 54.013 52.037 -0.033 0.000 0.617 4168 A CB -0.610 18.378 19.000 -0.021 0.000 0.827 4168 A HN 0.720 nan 8.150 nan 0.000 0.443 4169 R N -0.577 119.905 120.500 -0.029 0.000 2.193 4169 R HA -0.035 4.305 4.340 0.000 0.000 0.229 4169 R C 1.989 178.265 176.300 -0.039 0.000 1.110 4169 R CA 1.615 57.696 56.100 -0.031 0.000 0.988 4169 R CB -0.481 29.807 30.300 -0.020 0.000 0.871 4169 R HN 0.564 nan 8.270 nan 0.000 0.458 4170 M N 0.160 119.736 119.600 -0.041 0.000 2.123 4170 M HA -0.077 4.403 4.480 0.000 0.000 0.263 4170 M C 1.924 178.185 176.300 -0.065 0.000 1.069 4170 M CA 1.352 56.626 55.300 -0.044 0.000 1.133 4170 M CB 0.033 32.611 32.600 -0.036 0.000 1.356 4170 M HN 0.229 nan 8.290 nan 0.000 0.415 4171 M N -0.460 119.090 119.600 -0.083 0.000 2.080 4171 M HA -0.192 4.288 4.480 0.000 0.000 0.260 4171 M C 2.417 178.609 176.300 -0.178 0.000 1.068 4171 M CA 1.732 56.949 55.300 -0.139 0.000 1.109 4171 M CB -1.356 31.152 32.600 -0.153 0.000 1.342 4171 M HN 0.359 nan 8.290 nan 0.000 0.405 4172 S N -0.379 115.238 115.700 -0.138 0.000 2.419 4172 S HA -0.173 4.297 4.470 0.000 0.000 0.233 4172 S C 1.845 176.357 174.600 -0.146 0.000 1.016 4172 S CA 1.226 59.334 58.200 -0.154 0.000 0.974 4172 S CB -0.121 63.031 63.200 -0.080 0.000 0.786 4172 S HN 0.514 nan 8.310 nan 0.000 0.492 4173 Q N -0.230 119.514 119.800 -0.094 0.000 2.137 4173 Q HA 0.048 4.388 4.340 0.000 0.000 0.198 4173 Q C 2.197 178.153 176.000 -0.074 0.000 0.960 4173 Q CA 1.024 56.796 55.803 -0.052 0.000 0.847 4173 Q CB -0.289 28.441 28.738 -0.013 0.000 0.915 4173 Q HN 0.656 nan 8.270 nan 0.000 0.448 4174 A N 0.903 123.662 122.820 -0.102 0.000 1.855 4174 A HA -0.176 4.144 4.320 0.000 0.000 0.215 4174 A C 2.037 179.528 177.584 -0.155 0.000 1.191 4174 A CA 1.309 53.295 52.037 -0.085 0.000 0.613 4174 A CB -0.443 18.522 19.000 -0.058 0.000 0.829 4174 A HN 0.331 nan 8.150 nan 0.000 0.442 4175 M N -0.674 118.721 119.600 -0.341 0.000 2.082 4175 M HA -0.189 4.291 4.480 0.000 0.000 0.258 4175 M C 2.165 178.175 176.300 -0.483 0.000 1.071 4175 M CA 1.923 56.834 55.300 -0.650 0.000 1.103 4175 M CB -1.457 30.283 32.600 -1.432 0.000 1.307 4175 M HN 0.501 nan 8.290 nan 0.000 0.409 4176 R N 0.279 120.552 120.500 -0.378 0.000 2.159 4176 R HA -0.246 4.094 4.340 0.000 0.000 0.249 4176 R C 2.239 178.572 176.300 0.055 0.000 1.136 4176 R CA 2.344 58.446 56.100 0.004 0.000 0.951 4176 R CB -0.139 30.171 30.300 0.016 0.000 0.876 4176 R HN 0.412 nan 8.270 nan 0.000 0.440 4177 K N -0.158 120.240 120.400 -0.003 0.000 2.031 4177 K HA -0.080 4.240 4.320 0.000 0.000 0.205 4177 K C 2.205 178.811 176.600 0.010 0.000 1.049 4177 K CA 1.216 57.512 56.287 0.015 0.000 0.939 4177 K CB -0.107 32.402 32.500 0.015 0.000 0.717 4177 K HN 0.169 nan 8.250 nan 0.000 0.438 4178 L N 0.666 121.890 121.223 0.003 0.000 2.027 4178 L HA -0.164 4.177 4.340 0.000 0.000 0.206 4178 L C 2.588 179.461 176.870 0.004 0.000 1.074 4178 L CA 1.066 55.914 54.840 0.014 0.000 0.745 4178 L CB -0.566 41.522 42.059 0.048 0.000 0.898 4178 L HN 0.211 nan 8.230 nan 0.000 0.433 4179 A N 0.360 123.215 122.820 0.060 0.000 1.917 4179 A HA -0.218 4.102 4.320 0.000 0.000 0.219 4179 A C 2.366 179.778 177.584 -0.287 0.000 1.182 4179 A CA 2.071 54.141 52.037 0.055 0.000 0.633 4179 A CB -1.412 17.762 19.000 0.290 0.000 0.819 4179 A HN 0.476 nan 8.150 nan 0.000 0.448 4180 G N -0.252 108.277 108.800 -0.451 0.000 2.453 4180 G HA2 -0.301 3.659 3.960 0.000 0.000 0.215 4180 G HA3 -0.301 3.659 3.960 0.000 0.000 0.215 4180 G C 1.383 176.057 174.900 -0.376 0.000 1.201 4180 G CA 1.058 45.666 45.100 -0.822 0.000 0.784 4180 G HN 0.730 nan 8.290 nan 0.000 0.545 4181 N N 0.022 118.623 118.700 -0.165 0.000 2.443 4181 N HA 0.019 4.759 4.740 0.000 0.000 0.184 4181 N C 2.110 177.581 175.510 -0.066 0.000 1.037 4181 N CA 0.159 53.163 53.050 -0.078 0.000 0.896 4181 N CB -0.061 38.406 38.487 -0.033 0.000 0.959 4181 N HN 0.272 nan 8.380 nan 0.000 0.442 4182 L N 0.410 121.583 121.223 -0.083 0.000 2.102 4182 L HA -0.055 4.285 4.340 0.000 0.000 0.202 4182 L C 2.411 179.261 176.870 -0.033 0.000 1.076 4182 L CA 0.825 55.641 54.840 -0.039 0.000 0.761 4182 L CB -0.161 41.893 42.059 -0.008 0.000 0.921 4182 L HN 0.002 nan 8.230 nan 0.000 0.444 4183 K N 0.645 121.008 120.400 -0.061 0.000 2.057 4183 K HA -0.168 4.152 4.320 0.000 0.000 0.206 4183 K C 1.953 178.569 176.600 0.027 0.000 1.050 4183 K CA 1.542 57.838 56.287 0.016 0.000 0.935 4183 K CB -0.136 32.438 32.500 0.124 0.000 0.715 4183 K HN 0.186 nan 8.250 nan 0.000 0.439 4184 Q N -0.540 119.262 119.800 0.004 0.000 2.482 4184 Q HA 0.093 4.433 4.340 0.000 0.000 0.209 4184 Q C 0.478 176.485 176.000 0.012 0.000 0.961 4184 Q CA 0.719 56.537 55.803 0.024 0.000 0.945 4184 Q CB 0.378 29.134 28.738 0.030 0.000 1.012 4184 Q HN 0.172 nan 8.270 nan 0.000 0.515 4185 S N -0.291 115.409 115.700 0.001 0.000 2.603 4185 S HA 0.068 4.538 4.470 0.000 0.000 0.232 4185 S C 0.206 174.807 174.600 0.002 0.000 1.016 4185 S CA -0.322 57.879 58.200 0.001 0.000 0.976 4185 S CB 0.360 63.556 63.200 -0.005 0.000 0.921 4185 S HN 0.422 nan 8.310 nan 0.000 0.516 4186 N N 2.361 121.065 118.700 0.007 0.000 2.701 4186 N HA -0.145 4.595 4.740 0.000 0.000 0.250 4186 N C -1.039 174.472 175.510 0.001 0.000 1.046 4186 N CA 0.916 53.971 53.050 0.009 0.000 0.733 4186 N CB -1.245 37.248 38.487 0.010 0.000 0.973 4186 N HN 0.269 nan 8.380 nan 0.000 0.541 4187 T N 0.890 115.442 114.554 -0.003 0.000 2.728 4187 T HA 0.361 4.711 4.350 0.000 0.000 0.296 4187 T C 0.224 174.917 174.700 -0.011 0.000 0.940 4187 T CA -0.631 61.462 62.100 -0.011 0.000 1.013 4187 T CB 1.038 69.896 68.868 -0.017 0.000 0.912 4187 T HN 0.273 nan 8.240 nan 0.000 0.484 4188 L N 5.247 126.460 121.223 -0.017 0.000 2.319 4188 L HA 0.523 4.863 4.340 0.000 0.000 0.280 4188 L C -0.810 176.035 176.870 -0.042 0.000 1.099 4188 L CA -0.189 54.641 54.840 -0.017 0.000 0.828 4188 L CB 0.243 42.292 42.059 -0.018 0.000 1.150 4188 L HN 0.609 nan 8.230 nan 0.000 0.442 4189 L N 6.686 127.891 121.223 -0.030 0.000 2.305 4189 L HA 0.532 4.872 4.340 0.000 0.000 0.284 4189 L C -0.780 176.041 176.870 -0.081 0.000 1.013 4189 L CA -0.423 54.362 54.840 -0.093 0.000 0.819 4189 L CB 1.212 43.242 42.059 -0.048 0.000 1.227 4189 L HN 0.670 nan 8.230 nan 0.000 0.417 4190 I N 4.193 124.647 120.570 -0.194 0.000 2.377 4190 I HA 0.307 4.477 4.170 0.000 0.000 0.293 4190 I C -0.872 175.066 176.117 -0.299 0.000 0.987 4190 I CA -0.309 60.908 61.300 -0.138 0.000 1.185 4190 I CB 1.429 39.360 38.000 -0.115 0.000 1.341 4190 I HN 0.377 nan 8.210 nan 0.000 0.455 4191 F N 6.280 126.192 119.950 -0.063 0.000 2.427 4191 F HA 0.512 5.039 4.527 0.000 0.000 0.346 4191 F C 0.262 176.035 175.800 -0.045 0.000 1.120 4191 F CA -0.484 57.477 58.000 -0.065 0.000 1.033 4191 F CB 1.283 40.262 39.000 -0.035 0.000 1.126 4191 F HN 0.190 nan 8.300 nan 0.000 0.462 4192 I N 3.258 123.881 120.570 0.089 0.000 2.440 4192 I HA 0.287 4.457 4.170 0.000 0.000 0.294 4192 I C -0.237 175.951 176.117 0.118 0.000 0.995 4192 I CA -0.189 61.162 61.300 0.085 0.000 1.306 4192 I CB 1.317 39.336 38.000 0.032 0.000 1.407 4192 I HN 0.655 nan 8.210 nan 0.000 0.501 4193 N N 3.473 122.247 118.700 0.124 0.000 2.525 4193 N HA 0.390 5.130 4.740 0.000 0.000 0.270 4193 N C -1.490 174.038 175.510 0.030 0.000 1.321 4193 N CA -0.713 52.380 53.050 0.072 0.000 0.797 4193 N CB 1.936 40.473 38.487 0.084 0.000 1.529 4193 N HN 0.555 nan 8.380 nan 0.000 0.491 4194 Q N 0.769 120.479 119.800 -0.149 0.000 2.195 4194 Q HA 0.517 4.857 4.340 0.000 0.000 0.250 4194 Q C -0.589 175.201 176.000 -0.350 0.000 0.988 4194 Q CA -0.718 54.822 55.803 -0.438 0.000 0.911 4194 Q CB 2.110 30.255 28.738 -0.989 0.000 1.258 4194 Q HN 0.466 nan 8.270 nan 0.000 0.475 4195 I N 1.582 121.933 120.570 -0.366 0.000 2.396 4195 I HA 0.378 4.548 4.170 0.000 0.000 0.292 4195 I C -0.076 175.949 176.117 -0.155 0.000 0.999 4195 I CA -0.576 60.646 61.300 -0.131 0.000 1.310 4195 I CB 0.620 38.696 38.000 0.127 0.000 1.404 4195 I HN 0.335 nan 8.210 nan 0.000 0.496 4196 R N 5.241 125.670 120.500 -0.119 0.000 2.771 4196 R HA 0.620 4.960 4.340 0.000 0.000 0.274 4196 R C -1.275 174.995 176.300 -0.050 0.000 0.987 4196 R CA -1.254 54.804 56.100 -0.071 0.000 0.908 4196 R CB 2.109 32.358 30.300 -0.085 0.000 1.213 4196 R HN 0.452 nan 8.270 nan 0.000 0.468 4197 M N 2.111 121.695 119.600 -0.027 0.000 2.300 4197 M HA 0.306 4.787 4.480 0.000 0.000 0.348 4197 M C 0.132 176.419 176.300 -0.022 0.000 1.151 4197 M CA -0.270 55.014 55.300 -0.026 0.000 1.046 4197 M CB 1.246 33.837 32.600 -0.016 0.000 1.647 4197 M HN 0.213 nan 8.290 nan 0.000 0.451 4198 K N 4.295 124.684 120.400 -0.017 0.000 2.276 4198 K HA 0.453 4.773 4.320 0.000 0.000 0.285 4198 K C -0.435 176.167 176.600 0.003 0.000 1.062 4198 K CA -0.486 55.800 56.287 -0.001 0.000 0.918 4198 K CB 0.143 32.654 32.500 0.018 0.000 1.055 4198 K HN 0.803 nan 8.250 nan 0.000 0.477 4199 I N -0.786 119.785 120.570 0.002 0.000 2.938 4199 I HA 0.277 4.447 4.170 0.000 0.000 0.285 4199 I C 1.021 177.146 176.117 0.012 0.000 1.182 4199 I CA 0.573 61.874 61.300 0.002 0.000 1.388 4199 I CB 0.403 38.402 38.000 -0.001 0.000 1.390 4199 I HN 0.913 nan 8.210 nan 0.000 0.600 4200 G N 3.009 111.815 108.800 0.011 0.000 2.175 4200 G HA2 -0.228 3.732 3.960 0.000 0.000 0.265 4200 G HA3 -0.228 3.732 3.960 0.000 0.000 0.265 4200 G C 0.115 175.036 174.900 0.035 0.000 0.979 4200 G CA 0.282 45.393 45.100 0.019 0.000 0.663 4200 G HN 0.804 nan 8.290 nan 0.000 0.533 4201 V N 2.329 122.269 119.914 0.044 0.000 2.439 4201 V HA 0.655 4.775 4.120 0.000 0.000 0.282 4201 V C 1.279 177.410 176.094 0.061 0.000 1.039 4201 V CA 0.112 62.466 62.300 0.091 0.000 0.913 4201 V CB 1.475 33.395 31.823 0.161 0.000 0.983 4201 V HN 0.445 nan 8.190 nan 0.000 0.460 4202 M N 6.655 126.320 119.600 0.109 0.000 2.333 4202 M HA 0.270 4.750 4.480 0.000 0.000 0.257 4202 M C 0.087 176.453 176.300 0.110 0.000 1.078 4202 M CA 0.287 55.633 55.300 0.075 0.000 1.005 4202 M CB -0.126 32.516 32.600 0.069 0.000 1.444 4202 M HN 0.473 nan 8.290 nan 0.000 0.496 4203 F N 0.991 120.941 119.950 -0.000 0.000 2.362 4203 F HA 0.710 5.237 4.527 0.000 0.000 0.311 4203 F C 1.398 177.201 175.800 0.005 0.000 1.161 4203 F CA 0.152 58.153 58.000 0.002 0.000 1.085 4203 F CB -0.131 38.870 39.000 0.002 0.000 1.311 4203 F HN 0.273 nan 8.300 nan 0.000 0.524 4204 G N 1.981 110.508 108.800 -0.454 0.000 2.896 4204 G HA2 -0.384 3.576 3.960 0.000 0.000 0.412 4204 G HA3 -0.384 3.576 3.960 0.000 0.000 0.412 4204 G C -0.362 174.213 174.900 -0.541 0.000 0.986 4204 G CA 1.240 45.988 45.100 -0.587 0.000 0.812 4204 G HN 1.399 nan 8.290 nan 0.000 0.907 4205 N N 1.007 119.332 118.700 -0.626 0.000 2.295 4205 N HA 0.504 5.244 4.740 0.000 0.000 0.293 4205 N C -2.771 172.551 175.510 -0.313 0.000 1.040 4205 N CA -2.143 50.698 53.050 -0.348 0.000 0.840 4205 N CB 1.966 40.347 38.487 -0.176 0.000 1.468 4205 N HN 0.164 nan 8.380 nan 0.000 0.478 4206 P HA 0.114 nan 4.420 nan 0.000 0.256 4206 P C -0.550 176.700 177.300 -0.084 0.000 1.335 4206 P CA 0.353 63.383 63.100 -0.118 0.000 0.808 4206 P CB 0.123 31.776 31.700 -0.079 0.000 1.305 4207 E N 0.168 120.309 120.200 -0.097 0.000 2.313 4207 E HA 0.313 4.663 4.350 0.000 0.000 0.276 4207 E C -0.074 176.447 176.600 -0.131 0.000 1.031 4207 E CA 0.345 56.687 56.400 -0.097 0.000 0.857 4207 E CB 0.883 30.532 29.700 -0.085 0.000 1.040 4207 E HN 0.079 nan 8.360 nan 0.000 0.408 4208 T N 0.732 115.189 114.554 -0.161 0.000 2.787 4208 T HA 0.308 4.658 4.350 0.000 0.000 0.297 4208 T C -0.322 174.223 174.700 -0.259 0.000 1.221 4208 T CA -0.676 61.313 62.100 -0.185 0.000 1.006 4208 T CB 1.911 70.721 68.868 -0.097 0.000 1.328 4208 T HN 0.316 nan 8.240 nan 0.000 0.509 4209 T N 0.958 115.371 114.554 -0.235 0.000 2.952 4209 T HA 0.635 4.985 4.350 0.000 0.000 0.286 4209 T C -0.149 174.478 174.700 -0.122 0.000 1.024 4209 T CA -0.337 61.638 62.100 -0.209 0.000 1.029 4209 T CB 0.938 69.695 68.868 -0.185 0.000 1.094 4209 T HN 0.644 nan 8.240 nan 0.000 0.515 4210 T N 0.882 115.373 114.554 -0.104 0.000 2.847 4210 T HA 0.531 4.881 4.350 0.000 0.000 0.279 4210 T C 1.094 175.758 174.700 -0.061 0.000 0.984 4210 T CA 0.310 62.366 62.100 -0.073 0.000 0.988 4210 T CB 0.645 69.475 68.868 -0.064 0.000 1.040 4210 T HN 1.158 nan 8.240 nan 0.000 0.528 4211 G N 0.280 109.051 108.800 -0.049 0.000 2.198 4211 G HA2 0.182 4.142 3.960 0.000 0.000 0.257 4211 G HA3 0.182 4.142 3.960 0.000 0.000 0.257 4211 G C 0.672 175.538 174.900 -0.056 0.000 1.042 4211 G CA 0.163 45.227 45.100 -0.059 0.000 0.791 4211 G HN 1.667 nan 8.290 nan 0.000 0.502 4212 G N -0.772 108.008 108.800 -0.033 0.000 2.907 4212 G HA2 -0.303 3.657 3.960 0.000 0.000 0.242 4212 G HA3 -0.303 3.657 3.960 0.000 0.000 0.242 4212 G C 0.839 175.751 174.900 0.020 0.000 1.448 4212 G CA 0.446 45.541 45.100 -0.008 0.000 0.911 4212 G HN 0.870 nan 8.290 nan 0.000 0.553 4213 N N 0.448 119.192 118.700 0.074 0.000 2.364 4213 N HA -0.101 4.639 4.740 0.000 0.000 0.183 4213 N C 2.784 178.453 175.510 0.265 0.000 1.022 4213 N CA 1.297 54.458 53.050 0.185 0.000 0.883 4213 N CB -0.203 38.458 38.487 0.289 0.000 0.965 4213 N HN 0.856 nan 8.380 nan 0.000 0.438 4214 A N 2.109 125.007 122.820 0.131 0.000 1.893 4214 A HA -0.255 4.065 4.320 0.000 0.000 0.222 4214 A C 2.102 179.779 177.584 0.156 0.000 1.309 4214 A CA 1.566 53.658 52.037 0.092 0.000 0.681 4214 A CB -1.152 17.805 19.000 -0.071 0.000 0.842 4214 A HN 0.257 nan 8.150 nan 0.000 0.468 4215 L N -0.066 121.156 121.223 -0.001 0.000 1.963 4215 L HA -0.244 4.096 4.340 0.000 0.000 0.220 4215 L C 2.359 179.307 176.870 0.130 0.000 1.076 4215 L CA 2.705 57.516 54.840 -0.049 0.000 0.772 4215 L CB -1.054 40.903 42.059 -0.170 0.000 0.892 4215 L HN 0.531 nan 8.230 nan 0.000 0.435 4216 K N -1.379 119.095 120.400 0.122 0.000 2.117 4216 K HA -0.286 4.034 4.320 0.000 0.000 0.215 4216 K C 1.999 178.620 176.600 0.035 0.000 1.053 4216 K CA 2.353 58.671 56.287 0.051 0.000 0.935 4216 K CB -0.589 31.887 32.500 -0.040 0.000 0.719 4216 K HN 0.258 nan 8.250 nan 0.000 0.460 4217 F N -0.753 119.262 119.950 0.110 0.000 2.128 4217 F HA -0.099 4.428 4.527 0.000 0.000 0.295 4217 F C 2.262 178.102 175.800 0.066 0.000 1.100 4217 F CA 1.104 59.153 58.000 0.081 0.000 1.260 4217 F CB -0.681 38.366 39.000 0.078 0.000 1.009 4217 F HN -0.002 nan 8.300 nan 0.000 0.476 4218 Y N 0.337 120.768 120.300 0.219 0.000 2.293 4218 Y HA 0.052 4.602 4.550 0.000 0.000 0.291 4218 Y C 1.768 177.722 175.900 0.089 0.000 1.137 4218 Y CA 0.090 58.269 58.100 0.131 0.000 1.202 4218 Y CB -0.793 37.715 38.460 0.081 0.000 0.990 4218 Y HN -0.073 nan 8.280 nan 0.000 0.537 4219 A N -0.017 122.932 122.820 0.214 0.000 2.567 4219 A HA 0.030 4.350 4.320 0.000 0.000 0.240 4219 A C 1.234 178.857 177.584 0.065 0.000 1.053 4219 A CA 0.710 52.818 52.037 0.120 0.000 0.755 4219 A CB 0.043 19.088 19.000 0.075 0.000 0.978 4219 A HN 0.374 nan 8.150 nan 0.000 0.507 4220 S N 0.565 116.293 115.700 0.047 0.000 2.503 4220 S HA 0.228 4.698 4.470 0.000 0.000 0.217 4220 S C 0.272 174.848 174.600 -0.040 0.000 0.999 4220 S CA 0.337 58.539 58.200 0.003 0.000 0.914 4220 S CB 0.165 63.373 63.200 0.013 0.000 0.782 4220 S HN 0.560 nan 8.310 nan 0.000 0.520 4221 V N 2.304 122.198 119.914 -0.033 0.000 2.733 4221 V HA 0.455 4.575 4.120 0.000 0.000 0.306 4221 V C -0.900 175.151 176.094 -0.071 0.000 1.084 4221 V CA -0.810 61.446 62.300 -0.074 0.000 0.905 4221 V CB 2.185 33.964 31.823 -0.073 0.000 1.010 4221 V HN 0.128 nan 8.190 nan 0.000 0.424 4222 R N 4.132 124.558 120.500 -0.124 0.000 2.480 4222 R HA 0.657 4.997 4.340 0.000 0.000 0.306 4222 R C -1.835 174.300 176.300 -0.275 0.000 0.958 4222 R CA -0.904 55.106 56.100 -0.150 0.000 0.861 4222 R CB 2.225 32.475 30.300 -0.084 0.000 1.171 4222 R HN 0.334 nan 8.270 nan 0.000 0.445 4223 L N 2.763 123.763 121.223 -0.371 0.000 2.343 4223 L HA 0.243 4.583 4.340 0.000 0.000 0.278 4223 L C -0.280 176.214 176.870 -0.626 0.000 0.996 4223 L CA -0.489 54.125 54.840 -0.376 0.000 0.831 4223 L CB 1.478 43.415 42.059 -0.202 0.000 1.232 4223 L HN 0.491 nan 8.230 nan 0.000 0.413 4224 D N 4.924 125.021 120.400 -0.506 0.000 2.456 4224 D HA 0.160 4.800 4.640 0.000 0.000 0.219 4224 D C -0.201 176.026 176.300 -0.122 0.000 1.126 4224 D CA -0.182 53.589 54.000 -0.381 0.000 0.890 4224 D CB 0.648 41.373 40.800 -0.125 0.000 1.025 4224 D HN 0.474 nan 8.370 nan 0.000 0.511 4225 I N 3.072 123.600 120.570 -0.070 0.000 2.532 4225 I HA 0.416 4.586 4.170 0.000 0.000 0.292 4225 I C -0.490 175.651 176.117 0.041 0.000 1.014 4225 I CA -0.482 60.823 61.300 0.008 0.000 1.340 4225 I CB 0.549 38.576 38.000 0.045 0.000 1.422 4225 I HN 0.252 nan 8.210 nan 0.000 0.528 4226 R N 4.893 125.400 120.500 0.012 0.000 2.680 4226 R HA 0.389 4.729 4.340 0.000 0.000 0.269 4226 R C -1.239 175.048 176.300 -0.022 0.000 1.026 4226 R CA -0.940 55.170 56.100 0.017 0.000 0.889 4226 R CB 1.805 32.120 30.300 0.024 0.000 1.241 4226 R HN 0.567 nan 8.270 nan 0.000 0.463 4227 R N 2.976 123.477 120.500 0.002 0.000 2.221 4227 R HA 0.237 4.577 4.340 0.000 0.000 0.327 4227 R C 0.725 177.016 176.300 -0.015 0.000 1.033 4227 R CA 0.026 56.122 56.100 -0.007 0.000 0.887 4227 R CB 0.507 30.835 30.300 0.047 0.000 1.057 4227 R HN 0.677 nan 8.270 nan 0.000 0.455 4228 I N 0.396 120.938 120.570 -0.046 0.000 3.939 4228 I HA 0.456 4.626 4.170 0.000 0.000 0.313 4228 I C 0.763 176.856 176.117 -0.040 0.000 1.274 4228 I CA -0.190 61.087 61.300 -0.038 0.000 1.301 4228 I CB 0.808 38.779 38.000 -0.047 0.000 1.105 4228 I HN 0.587 nan 8.210 nan 0.000 0.427 4229 G N 0.791 109.557 108.800 -0.057 0.000 2.554 4229 G HA2 0.726 4.686 3.960 0.000 0.000 0.306 4229 G HA3 0.726 4.686 3.960 0.000 0.000 0.306 4229 G C -1.925 172.915 174.900 -0.099 0.000 1.320 4229 G CA -0.219 44.839 45.100 -0.070 0.000 0.800 4229 G HN 0.280 nan 8.290 nan 0.000 0.481 4230 A N -0.978 121.771 122.820 -0.119 0.000 2.306 4230 A HA 0.775 5.095 4.320 0.000 0.000 0.330 4230 A C -0.644 176.869 177.584 -0.119 0.000 1.146 4230 A CA -0.557 51.389 52.037 -0.153 0.000 0.827 4230 A CB 1.660 20.541 19.000 -0.199 0.000 1.178 4230 A HN 1.331 nan 8.150 nan 0.000 0.490 4231 V N 2.669 122.505 119.914 -0.130 0.000 2.357 4231 V HA 0.345 4.465 4.120 0.000 0.000 0.284 4231 V C -0.136 175.901 176.094 -0.095 0.000 1.018 4231 V CA -0.531 61.702 62.300 -0.111 0.000 0.841 4231 V CB 0.975 32.720 31.823 -0.131 0.000 0.991 4231 V HN 0.828 nan 8.190 nan 0.000 0.437 4232 K N 3.356 123.715 120.400 -0.069 0.000 2.244 4232 K HA 0.450 4.770 4.320 0.000 0.000 0.260 4232 K C -0.164 176.415 176.600 -0.035 0.000 0.951 4232 K CA -0.641 55.616 56.287 -0.050 0.000 0.826 4232 K CB 2.251 34.722 32.500 -0.048 0.000 1.108 4232 K HN 0.512 nan 8.250 nan 0.000 0.433 4233 E N 2.101 122.288 120.200 -0.022 0.000 2.351 4233 E HA 0.064 4.414 4.350 0.000 0.000 0.236 4233 E C 0.938 177.533 176.600 -0.009 0.000 1.341 4233 E CA 0.006 56.398 56.400 -0.013 0.000 1.579 4233 E CB 0.195 29.893 29.700 -0.003 0.000 1.393 4233 E HN 1.051 nan 8.360 nan 0.000 0.438 4234 G N 1.987 110.779 108.800 -0.014 0.000 5.356 4234 G HA2 -0.393 3.567 3.960 0.000 0.000 0.309 4234 G HA3 -0.393 3.567 3.960 0.000 0.000 0.309 4234 G C 1.098 175.995 174.900 -0.006 0.000 1.451 4234 G CA 0.386 45.480 45.100 -0.010 0.000 0.978 4234 G HN 0.382 nan 8.290 nan 0.000 0.771 4235 E N 1.579 121.780 120.200 0.002 0.000 2.045 4235 E HA 0.052 4.402 4.350 0.000 0.000 0.190 4235 E C 1.135 177.745 176.600 0.015 0.000 0.968 4235 E CA 0.357 56.763 56.400 0.009 0.000 0.813 4235 E CB -0.383 29.326 29.700 0.015 0.000 0.780 4235 E HN 0.673 nan 8.360 nan 0.000 0.455 4236 N N 1.132 119.845 118.700 0.021 0.000 2.492 4236 N HA 0.083 4.823 4.740 0.000 0.000 0.262 4236 N C -0.736 174.792 175.510 0.031 0.000 1.202 4236 N CA -0.241 52.831 53.050 0.037 0.000 0.926 4236 N CB 1.359 39.872 38.487 0.043 0.000 1.078 4236 N HN -0.158 nan 8.380 nan 0.000 0.454 4237 V N 2.940 122.889 119.914 0.058 0.000 2.385 4237 V HA 0.073 4.193 4.120 0.000 0.000 0.269 4237 V C 0.676 176.861 176.094 0.150 0.000 1.043 4237 V CA -0.069 62.261 62.300 0.050 0.000 0.906 4237 V CB 1.295 33.123 31.823 0.007 0.000 0.995 4237 V HN 0.551 nan 8.190 nan 0.000 0.467 4238 V N 4.111 124.060 119.914 0.059 0.000 3.562 4238 V HA 0.596 4.716 4.120 0.000 0.000 0.270 4238 V C 0.733 176.577 176.094 -0.416 0.000 1.418 4238 V CA 0.971 63.280 62.300 0.016 0.000 1.033 4238 V CB 0.689 32.503 31.823 -0.015 0.000 0.820 4238 V HN 0.864 nan 8.190 nan 0.000 0.441 4239 G N -0.647 107.871 108.800 -0.471 0.000 2.719 4239 G HA2 0.472 4.432 3.960 0.000 0.000 0.298 4239 G HA3 0.472 4.432 3.960 0.000 0.000 0.298 4239 G C -1.082 173.580 174.900 -0.397 0.000 1.411 4239 G CA -0.260 44.403 45.100 -0.728 0.000 0.991 4239 G HN -0.012 nan 8.290 nan 0.000 0.509 4240 S N 0.790 116.298 115.700 -0.321 0.000 2.473 4240 S HA 0.225 4.695 4.470 0.000 0.000 0.312 4240 S C 0.262 174.793 174.600 -0.115 0.000 1.087 4240 S CA -0.296 57.896 58.200 -0.013 0.000 1.077 4240 S CB 0.819 64.134 63.200 0.192 0.000 1.065 4240 S HN 0.626 nan 8.310 nan 0.000 0.510 4241 E N 2.871 122.997 120.200 -0.124 0.000 2.493 4241 E HA 0.076 4.426 4.350 0.000 0.000 0.255 4241 E C -0.411 176.072 176.600 -0.196 0.000 0.999 4241 E CA 0.643 56.953 56.400 -0.151 0.000 0.934 4241 E CB 0.322 29.955 29.700 -0.111 0.000 0.940 4241 E HN 0.378 nan 8.360 nan 0.000 0.473 4242 T N 5.676 120.013 114.554 -0.362 0.000 2.876 4242 T HA 0.458 4.808 4.350 0.000 0.000 0.289 4242 T C -0.707 173.681 174.700 -0.521 0.000 1.014 4242 T CA -0.788 61.026 62.100 -0.476 0.000 0.986 4242 T CB 1.271 69.729 68.868 -0.683 0.000 1.021 4242 T HN 0.357 nan 8.240 nan 0.000 0.458 4243 R N 2.199 122.533 120.500 -0.278 0.000 2.534 4243 R HA 0.711 5.051 4.340 0.000 0.000 0.301 4243 R C -1.924 174.342 176.300 -0.057 0.000 0.961 4243 R CA -0.558 55.458 56.100 -0.139 0.000 0.871 4243 R CB 1.351 31.613 30.300 -0.064 0.000 1.170 4243 R HN 0.467 nan 8.270 nan 0.000 0.446 4244 V N 4.993 124.924 119.914 0.029 0.000 2.443 4244 V HA 0.355 4.475 4.120 0.000 0.000 0.293 4244 V C -0.296 175.807 176.094 0.015 0.000 1.021 4244 V CA -0.883 61.444 62.300 0.045 0.000 0.848 4244 V CB 1.718 33.624 31.823 0.139 0.000 0.998 4244 V HN 0.684 nan 8.190 nan 0.000 0.424 4245 K N 2.777 123.158 120.400 -0.030 0.000 2.143 4245 K HA 0.569 4.889 4.320 0.000 0.000 0.272 4245 K C -0.665 175.856 176.600 -0.132 0.000 1.001 4245 K CA -0.640 55.617 56.287 -0.050 0.000 0.915 4245 K CB 2.194 34.679 32.500 -0.026 0.000 1.047 4245 K HN 0.454 nan 8.250 nan 0.000 0.458 4246 V N 4.364 124.189 119.914 -0.149 0.000 2.356 4246 V HA -0.003 4.118 4.120 0.000 0.000 0.258 4246 V C 1.007 176.847 176.094 -0.424 0.000 1.065 4246 V CA -0.043 62.117 62.300 -0.233 0.000 0.935 4246 V CB 0.730 32.441 31.823 -0.188 0.000 1.061 4246 V HN 0.630 nan 8.190 nan 0.000 0.484 4247 V N 3.692 123.351 119.914 -0.425 0.000 3.174 4247 V HA 0.158 4.278 4.120 0.000 0.000 0.254 4247 V C 0.904 176.682 176.094 -0.528 0.000 1.120 4247 V CA 0.955 62.914 62.300 -0.569 0.000 1.114 4247 V CB -0.069 31.599 31.823 -0.258 0.000 0.756 4247 V HN 0.737 nan 8.190 nan 0.000 0.467 4248 K N 1.053 121.244 120.400 -0.348 0.000 2.371 4248 K HA 0.443 4.763 4.320 0.000 0.000 0.251 4248 K C -1.432 175.019 176.600 -0.249 0.000 0.934 4248 K CA -0.579 55.542 56.287 -0.276 0.000 0.798 4248 K CB 1.727 34.126 32.500 -0.168 0.000 1.204 4248 K HN 0.100 nan 8.250 nan 0.000 0.427 4249 N N 2.664 121.215 118.700 -0.248 0.000 2.478 4249 N HA 0.215 4.955 4.740 0.000 0.000 0.291 4249 N C -0.933 174.440 175.510 -0.228 0.000 1.090 4249 N CA -0.333 52.579 53.050 -0.229 0.000 0.911 4249 N CB 1.677 40.005 38.487 -0.265 0.000 1.546 4249 N HN 0.576 nan 8.380 nan 0.000 0.500 4250 K N 2.272 122.566 120.400 -0.177 0.000 2.358 4250 K HA 0.298 4.618 4.320 0.000 0.000 0.200 4250 K C 0.862 177.340 176.600 -0.203 0.000 1.030 4250 K CA 0.052 56.236 56.287 -0.173 0.000 1.097 4250 K CB 0.665 33.117 32.500 -0.081 0.000 0.862 4250 K HN 0.371 nan 8.250 nan 0.000 0.534 4251 I N -0.065 120.390 120.570 -0.193 0.000 3.300 4251 I HA 0.170 4.340 4.170 0.000 0.000 0.279 4251 I C 0.413 176.427 176.117 -0.172 0.000 1.172 4251 I CA 0.177 61.389 61.300 -0.147 0.000 1.431 4251 I CB 0.806 38.749 38.000 -0.094 0.000 1.240 4251 I HN -0.008 nan 8.210 nan 0.000 0.453 4252 A N -0.558 122.143 122.820 -0.200 0.000 2.765 4252 A HA 0.841 5.161 4.320 0.000 0.000 0.305 4252 A C -0.805 176.647 177.584 -0.219 0.000 1.229 4252 A CA -0.140 51.791 52.037 -0.176 0.000 0.653 4252 A CB -0.305 18.644 19.000 -0.085 0.000 1.375 4252 A HN 0.085 nan 8.150 nan 0.000 0.540 4253 A N 1.521 124.271 122.820 -0.116 0.000 2.548 4253 A HA 0.527 4.848 4.320 0.000 0.000 0.247 4253 A C -2.028 175.454 177.584 -0.171 0.000 1.067 4253 A CA -0.372 51.596 52.037 -0.115 0.000 0.757 4253 A CB -0.803 18.253 19.000 0.094 0.000 0.996 4253 A HN 0.479 nan 8.150 nan 0.000 0.504 4254 P HA 0.469 nan 4.420 nan 0.000 0.282 4254 P C 0.204 177.539 177.300 0.059 0.000 1.287 4254 P CA -0.205 62.761 63.100 -0.223 0.000 0.792 4254 P CB 0.292 31.779 31.700 -0.354 0.000 1.163 4255 F N -4.293 115.606 119.950 -0.084 0.000 2.590 4255 F HA -0.224 4.303 4.527 0.000 0.000 0.471 4255 F C 0.868 176.666 175.800 -0.004 0.000 0.551 4255 F CA 1.133 59.119 58.000 -0.023 0.000 1.228 4255 F CB -1.839 37.174 39.000 0.021 0.000 1.862 4255 F HN 0.242 nan 8.300 nan 0.000 0.271 4256 K N 2.316 122.794 120.400 0.130 0.000 2.448 4256 K HA 0.208 4.528 4.320 0.000 0.000 0.278 4256 K C 0.477 177.105 176.600 0.047 0.000 1.009 4256 K CA 0.243 56.579 56.287 0.081 0.000 0.995 4256 K CB 0.407 32.936 32.500 0.048 0.000 0.917 4256 K HN 0.412 nan 8.250 nan 0.000 0.481 4257 Q N 0.709 120.540 119.800 0.052 0.000 2.351 4257 Q HA 0.711 5.051 4.340 0.000 0.000 0.273 4257 Q C -1.386 174.643 176.000 0.048 0.000 1.077 4257 Q CA -1.267 54.563 55.803 0.044 0.000 0.843 4257 Q CB 2.010 30.780 28.738 0.053 0.000 1.367 4257 Q HN 0.507 nan 8.270 nan 0.000 0.449 4258 A N 1.871 124.734 122.820 0.071 0.000 2.335 4258 A HA 0.490 4.810 4.320 0.000 0.000 0.304 4258 A C -1.199 176.506 177.584 0.201 0.000 1.118 4258 A CA -0.682 51.428 52.037 0.122 0.000 0.757 4258 A CB 1.160 20.232 19.000 0.119 0.000 1.188 4258 A HN 0.763 nan 8.150 nan 0.000 0.460 4259 E N 1.607 121.910 120.200 0.171 0.000 2.176 4259 E HA 0.674 5.024 4.350 0.000 0.000 0.267 4259 E C -0.997 175.718 176.600 0.192 0.000 0.893 4259 E CA -0.348 56.107 56.400 0.092 0.000 0.761 4259 E CB 1.772 31.485 29.700 0.020 0.000 1.133 4259 E HN 0.671 nan 8.360 nan 0.000 0.409 4260 F N -0.710 119.223 119.950 -0.028 0.000 3.215 4260 F HA 0.466 4.993 4.527 0.000 0.000 0.326 4260 F C -1.414 174.370 175.800 -0.027 0.000 1.189 4260 F CA -1.225 56.754 58.000 -0.034 0.000 0.905 4260 F CB 1.165 40.136 39.000 -0.050 0.000 1.485 4260 F HN 0.120 nan 8.300 nan 0.000 0.508 4261 Q N 1.122 121.038 119.800 0.194 0.000 2.340 4261 Q HA 0.647 4.987 4.340 0.000 0.000 0.268 4261 Q C -1.415 174.680 176.000 0.158 0.000 1.031 4261 Q CA -0.677 55.151 55.803 0.042 0.000 0.804 4261 Q CB 3.092 31.842 28.738 0.021 0.000 1.286 4261 Q HN 0.557 nan 8.270 nan 0.000 0.448 4262 I N 3.817 124.400 120.570 0.022 0.000 2.388 4262 I HA 0.233 4.403 4.170 0.000 0.000 0.281 4262 I C -0.548 175.488 176.117 -0.135 0.000 1.046 4262 I CA -0.430 60.915 61.300 0.075 0.000 1.187 4262 I CB 0.551 38.648 38.000 0.161 0.000 1.351 4262 I HN 0.375 nan 8.210 nan 0.000 0.472 4263 L N 6.135 127.302 121.223 -0.094 0.000 2.360 4263 L HA 0.232 4.572 4.340 0.000 0.000 0.276 4263 L C -0.570 176.278 176.870 -0.038 0.000 1.121 4263 L CA -0.604 54.117 54.840 -0.198 0.000 0.845 4263 L CB -0.082 41.936 42.059 -0.068 0.000 1.143 4263 L HN 0.389 nan 8.230 nan 0.000 0.452 4264 Y N 1.433 121.825 120.300 0.152 0.000 2.402 4264 Y HA 0.361 4.911 4.550 0.000 0.000 0.333 4264 Y C 1.344 177.389 175.900 0.242 0.000 1.076 4264 Y CA -0.181 58.050 58.100 0.219 0.000 1.299 4264 Y CB 0.365 38.901 38.460 0.126 0.000 1.197 4264 Y HN 0.856 nan 8.280 nan 0.000 0.517 4265 G N 1.870 111.026 108.800 0.595 0.000 2.157 4265 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 4265 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 4265 G C 0.653 175.646 174.900 0.156 0.000 0.979 4265 G CA 0.517 45.849 45.100 0.386 0.000 0.650 4265 G HN 0.658 nan 8.290 nan 0.000 0.529 4266 E N -1.675 118.596 120.200 0.118 0.000 2.684 4266 E HA 0.439 4.789 4.350 0.000 0.000 0.204 4266 E C 1.379 177.987 176.600 0.013 0.000 0.900 4266 E CA 1.100 57.523 56.400 0.039 0.000 1.481 4266 E CB 0.610 30.339 29.700 0.048 0.000 1.468 4266 E HN 1.695 nan 8.360 nan 0.000 0.778 4267 G N 1.115 109.953 108.800 0.062 0.000 2.451 4267 G HA2 -0.191 3.769 3.960 0.000 0.000 0.208 4267 G HA3 -0.191 3.769 3.960 0.000 0.000 0.208 4267 G C -0.513 174.459 174.900 0.120 0.000 1.248 4267 G CA -0.360 44.785 45.100 0.075 0.000 0.989 4267 G HN 0.147 nan 8.290 nan 0.000 0.559 4268 I N 1.568 122.218 120.570 0.133 0.000 2.598 4268 I HA 0.083 4.253 4.170 0.000 0.000 0.284 4268 I C 0.587 176.793 176.117 0.147 0.000 1.140 4268 I CA -0.256 61.144 61.300 0.166 0.000 1.420 4268 I CB 0.684 38.707 38.000 0.038 0.000 1.387 4268 I HN 0.422 nan 8.210 nan 0.000 0.553 4269 N N 6.309 125.107 118.700 0.163 0.000 2.549 4269 N HA -0.009 4.731 4.740 0.000 0.000 0.267 4269 N C 0.599 176.191 175.510 0.138 0.000 1.182 4269 N CA 0.184 53.329 53.050 0.160 0.000 1.019 4269 N CB -0.089 38.472 38.487 0.123 0.000 1.380 4269 N HN 0.503 nan 8.380 nan 0.000 0.505 4270 F N 2.975 122.910 119.950 -0.025 0.000 2.069 4270 F HA -0.252 4.275 4.527 0.000 0.000 0.298 4270 F C 0.998 176.680 175.800 -0.197 0.000 1.113 4270 F CA 1.704 59.585 58.000 -0.198 0.000 1.214 4270 F CB -0.095 38.688 39.000 -0.361 0.000 0.978 4270 F HN 0.504 nan 8.300 nan 0.000 0.474 4271 Y N 0.038 120.478 120.300 0.232 0.000 2.293 4271 Y HA -0.009 4.541 4.550 0.000 0.000 0.291 4271 Y C 2.662 178.576 175.900 0.024 0.000 1.137 4271 Y CA 0.798 58.977 58.100 0.131 0.000 1.202 4271 Y CB -1.321 37.205 38.460 0.110 0.000 0.990 4271 Y HN 0.135 nan 8.280 nan 0.000 0.537 4272 G N 0.544 109.442 108.800 0.164 0.000 2.631 4272 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 4272 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 4272 G C 1.397 176.310 174.900 0.022 0.000 1.214 4272 G CA 1.618 46.761 45.100 0.071 0.000 0.785 4272 G HN 0.448 nan 8.290 nan 0.000 0.596 4273 E N -0.055 120.125 120.200 -0.034 0.000 2.033 4273 E HA -0.167 4.184 4.350 0.000 0.000 0.199 4273 E C 2.423 178.966 176.600 -0.095 0.000 1.011 4273 E CA 1.018 57.364 56.400 -0.090 0.000 0.815 4273 E CB -0.384 29.176 29.700 -0.234 0.000 0.755 4273 E HN 0.250 nan 8.360 nan 0.000 0.451 4274 L N 1.142 122.274 121.223 -0.152 0.000 2.030 4274 L HA -0.285 4.055 4.340 0.000 0.000 0.222 4274 L C 2.282 179.155 176.870 0.005 0.000 1.082 4274 L CA 1.658 56.445 54.840 -0.087 0.000 0.785 4274 L CB -0.749 41.294 42.059 -0.027 0.000 0.895 4274 L HN 0.031 nan 8.230 nan 0.000 0.439 4275 V N -0.162 119.776 119.914 0.041 0.000 2.217 4275 V HA -0.414 3.706 4.120 0.000 0.000 0.248 4275 V C 2.333 178.482 176.094 0.092 0.000 1.050 4275 V CA 2.220 64.558 62.300 0.063 0.000 1.007 4275 V CB -0.954 30.868 31.823 -0.003 0.000 0.639 4275 V HN 0.477 nan 8.190 nan 0.000 0.452 4276 D N -0.151 120.295 120.400 0.075 0.000 2.157 4276 D HA -0.183 4.457 4.640 0.000 0.000 0.191 4276 D C 2.092 178.432 176.300 0.067 0.000 1.004 4276 D CA 1.348 55.400 54.000 0.088 0.000 0.854 4276 D CB -0.357 40.478 40.800 0.058 0.000 0.936 4276 D HN 0.194 nan 8.370 nan 0.000 0.446 4277 L N 0.474 121.715 121.223 0.031 0.000 2.046 4277 L HA -0.076 4.264 4.340 0.000 0.000 0.208 4277 L C 2.591 179.486 176.870 0.041 0.000 1.077 4277 L CA 1.687 56.537 54.840 0.017 0.000 0.747 4277 L CB -1.672 40.370 42.059 -0.027 0.000 0.896 4277 L HN 0.092 nan 8.230 nan 0.000 0.432 4278 G N -0.800 108.035 108.800 0.058 0.000 2.422 4278 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 4278 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 4278 G C 1.750 176.714 174.900 0.106 0.000 1.146 4278 G CA 0.969 46.121 45.100 0.087 0.000 0.769 4278 G HN 0.265 nan 8.290 nan 0.000 0.547 4279 V N 0.655 120.640 119.914 0.118 0.000 2.270 4279 V HA -0.133 3.987 4.120 0.000 0.000 0.245 4279 V C 2.652 178.786 176.094 0.067 0.000 1.043 4279 V CA 2.174 64.539 62.300 0.109 0.000 1.014 4279 V CB -0.426 31.481 31.823 0.139 0.000 0.645 4279 V HN 0.354 nan 8.190 nan 0.000 0.447 4280 K N -0.312 120.124 120.400 0.059 0.000 2.209 4280 K HA -0.150 4.170 4.320 0.000 0.000 0.204 4280 K C 1.600 178.223 176.600 0.038 0.000 1.048 4280 K CA 1.100 57.411 56.287 0.041 0.000 0.940 4280 K CB 0.067 32.589 32.500 0.036 0.000 0.729 4280 K HN 0.380 nan 8.250 nan 0.000 0.451 4281 E N 0.574 120.801 120.200 0.046 0.000 2.444 4281 E HA 0.013 4.363 4.350 0.000 0.000 0.191 4281 E C -0.225 176.406 176.600 0.052 0.000 1.041 4281 E CA 0.032 56.459 56.400 0.044 0.000 0.883 4281 E CB 0.664 30.389 29.700 0.043 0.000 1.024 4281 E HN 0.114 nan 8.360 nan 0.000 0.470 4282 K N -0.103 120.330 120.400 0.055 0.000 3.130 4282 K HA -0.204 4.116 4.320 0.000 0.000 0.282 4282 K C 0.948 177.596 176.600 0.080 0.000 1.145 4282 K CA 0.397 56.718 56.287 0.055 0.000 0.831 4282 K CB -2.031 30.491 32.500 0.037 0.000 1.226 4282 K HN 0.276 nan 8.250 nan 0.000 0.478 4283 L N -0.427 120.862 121.223 0.110 0.000 2.375 4283 L HA 0.169 4.509 4.340 0.000 0.000 0.215 4283 L C 0.988 178.010 176.870 0.252 0.000 1.108 4283 L CA 0.589 55.533 54.840 0.172 0.000 0.830 4283 L CB 0.192 42.351 42.059 0.166 0.000 0.959 4283 L HN 0.111 nan 8.230 nan 0.000 0.457 4284 I N -0.895 119.793 120.570 0.197 0.000 2.509 4284 I HA 0.209 4.379 4.170 0.000 0.000 0.293 4284 I C -0.272 175.927 176.117 0.136 0.000 1.020 4284 I CA -0.638 60.795 61.300 0.222 0.000 1.088 4284 I CB 2.231 40.375 38.000 0.240 0.000 1.267 4284 I HN -0.168 nan 8.210 nan 0.000 0.430 4285 E N 5.219 125.485 120.200 0.110 0.000 2.313 4285 E HA 0.253 4.604 4.350 0.000 0.000 0.276 4285 E C -0.706 175.875 176.600 -0.031 0.000 1.031 4285 E CA -0.334 56.086 56.400 0.034 0.000 0.857 4285 E CB 0.976 30.688 29.700 0.020 0.000 1.040 4285 E HN 0.322 nan 8.360 nan 0.000 0.408 4286 K N 2.789 123.128 120.400 -0.102 0.000 2.575 4286 K HA 0.493 4.813 4.320 0.000 0.000 0.236 4286 K C -1.596 174.927 176.600 -0.128 0.000 0.976 4286 K CA -0.592 55.552 56.287 -0.239 0.000 0.985 4286 K CB 0.978 33.249 32.500 -0.381 0.000 1.198 4286 K HN 0.492 nan 8.250 nan 0.000 0.464 4287 A N 3.566 126.350 122.820 -0.059 0.000 2.880 4287 A HA 0.566 4.886 4.320 0.000 0.000 0.328 4287 A C 0.839 178.439 177.584 0.026 0.000 1.440 4287 A CA 0.358 52.393 52.037 -0.004 0.000 1.068 4287 A CB -0.275 18.740 19.000 0.025 0.000 1.163 4287 A HN 1.064 nan 8.150 nan 0.000 0.510 4288 G N 1.265 110.046 108.800 -0.031 0.000 3.031 4288 G HA2 -0.061 3.899 3.960 0.000 0.000 0.289 4288 G HA3 -0.061 3.899 3.960 0.000 0.000 0.289 4288 G C 1.306 176.157 174.900 -0.082 0.000 1.393 4288 G CA 0.707 45.789 45.100 -0.029 0.000 1.010 4288 G HN 1.828 nan 8.290 nan 0.000 0.579 4289 A N -0.786 121.993 122.820 -0.069 0.000 2.229 4289 A HA 0.531 4.851 4.320 0.000 0.000 0.211 4289 A C 0.705 178.219 177.584 -0.116 0.000 1.193 4289 A CA 0.534 52.496 52.037 -0.125 0.000 0.879 4289 A CB 0.039 18.923 19.000 -0.194 0.000 0.911 4289 A HN 0.598 nan 8.150 nan 0.000 0.492 4290 W N -0.425 120.854 121.300 -0.035 0.000 2.287 4290 W HA 0.491 5.150 4.660 -0.000 0.000 0.313 4290 W C -0.734 175.751 176.519 -0.056 0.000 1.267 4290 W CA 0.029 57.382 57.345 0.014 0.000 1.201 4290 W CB 0.348 29.799 29.460 -0.014 0.000 1.196 4290 W HN 0.218 nan 8.180 nan 0.000 0.536 4291 Y N 2.466 122.914 120.300 0.247 0.000 2.331 4291 Y HA 0.414 4.964 4.550 0.000 0.000 0.338 4291 Y C 0.375 176.329 175.900 0.089 0.000 0.976 4291 Y CA -0.610 57.567 58.100 0.127 0.000 1.137 4291 Y CB 1.352 39.854 38.460 0.071 0.000 1.172 4291 Y HN 0.159 nan 8.280 nan 0.000 0.478 4292 S N 2.595 118.396 115.700 0.168 0.000 2.568 4292 S HA 0.470 4.941 4.470 0.000 0.000 0.302 4292 S C -1.872 172.806 174.600 0.131 0.000 1.082 4292 S CA -0.772 57.472 58.200 0.073 0.000 1.009 4292 S CB 1.415 64.621 63.200 0.010 0.000 1.069 4292 S HN 0.485 nan 8.310 nan 0.000 0.500 4293 Y N 2.056 122.307 120.300 -0.082 0.000 2.326 4293 Y HA 0.381 4.931 4.550 0.000 0.000 0.329 4293 Y C 0.263 176.153 175.900 -0.017 0.000 0.973 4293 Y CA -1.070 57.012 58.100 -0.030 0.000 1.162 4293 Y CB 0.527 38.975 38.460 -0.021 0.000 1.147 4293 Y HN 0.832 nan 8.280 nan 0.000 0.456 4294 K N 4.581 124.708 120.400 -0.456 0.000 3.016 4294 K HA -0.278 4.042 4.320 0.000 0.000 0.262 4294 K C 0.928 177.409 176.600 -0.198 0.000 1.043 4294 K CA 1.121 57.169 56.287 -0.398 0.000 0.761 4294 K CB -1.466 30.691 32.500 -0.572 0.000 1.230 4294 K HN 1.329 nan 8.250 nan 0.000 0.485 4295 G N 0.253 108.975 108.800 -0.131 0.000 2.345 4295 G HA2 -0.336 3.624 3.960 0.000 0.000 0.218 4295 G HA3 -0.336 3.624 3.960 0.000 0.000 0.218 4295 G C -0.134 174.706 174.900 -0.099 0.000 1.058 4295 G CA 0.285 45.326 45.100 -0.099 0.000 0.632 4295 G HN 0.436 nan 8.290 nan 0.000 0.508 4296 E N 2.041 122.184 120.200 -0.096 0.000 2.299 4296 E HA 0.312 4.662 4.350 0.000 0.000 0.272 4296 E C 0.025 176.545 176.600 -0.133 0.000 1.043 4296 E CA -0.305 56.037 56.400 -0.097 0.000 0.895 4296 E CB 0.200 29.869 29.700 -0.052 0.000 1.011 4296 E HN 0.360 nan 8.360 nan 0.000 0.432 4297 K N 5.704 126.005 120.400 -0.165 0.000 2.378 4297 K HA 0.089 4.409 4.320 0.000 0.000 0.288 4297 K C 1.128 177.605 176.600 -0.205 0.000 1.057 4297 K CA -0.008 56.182 56.287 -0.161 0.000 0.971 4297 K CB 0.492 32.814 32.500 -0.297 0.000 0.975 4297 K HN 0.580 nan 8.250 nan 0.000 0.475 4298 I N -1.161 119.256 120.570 -0.254 0.000 3.462 4298 I HA 0.237 4.407 4.170 0.000 0.000 0.290 4298 I C 0.618 176.585 176.117 -0.251 0.000 1.236 4298 I CA -0.077 60.824 61.300 -0.665 0.000 1.418 4298 I CB 0.576 37.966 38.000 -1.016 0.000 1.102 4298 I HN 0.531 nan 8.210 nan 0.000 0.441 4299 G N 1.821 110.681 108.800 0.100 0.000 2.443 4299 G HA2 0.129 4.089 3.960 0.000 0.000 0.303 4299 G HA3 0.129 4.089 3.960 0.000 0.000 0.303 4299 G C -1.794 173.198 174.900 0.154 0.000 1.613 4299 G CA -0.658 44.534 45.100 0.154 0.000 0.879 4299 G HN 0.230 nan 8.290 nan 0.000 0.632 4300 Q N 0.876 120.532 119.800 -0.241 0.000 2.314 4300 Q HA 0.527 4.867 4.340 0.000 0.000 0.257 4300 Q C 0.568 176.406 176.000 -0.270 0.000 0.975 4300 Q CA 0.746 56.147 55.803 -0.670 0.000 0.933 4300 Q CB 0.694 28.562 28.738 -1.450 0.000 1.195 4300 Q HN 2.325 nan 8.270 nan 0.000 0.426 4301 G N 3.141 111.917 108.800 -0.040 0.000 2.692 4301 G HA2 -0.239 3.721 3.960 0.000 0.000 0.686 4301 G HA3 -0.239 3.721 3.960 0.000 0.000 0.686 4301 G C -0.057 174.756 174.900 -0.145 0.000 1.243 4301 G CA -0.079 45.032 45.100 0.019 0.000 0.782 4301 G HN 0.762 nan 8.290 nan 0.000 0.625 4302 K N 0.676 120.974 120.400 -0.171 0.000 2.152 4302 K HA 0.042 4.362 4.320 0.000 0.000 0.206 4302 K C 2.828 179.277 176.600 -0.251 0.000 1.048 4302 K CA 2.210 58.246 56.287 -0.418 0.000 0.933 4302 K CB -0.309 32.101 32.500 -0.151 0.000 0.721 4302 K HN 1.080 nan 8.250 nan 0.000 0.447 4303 A N 1.070 123.809 122.820 -0.135 0.000 1.972 4303 A HA -0.169 4.151 4.320 0.000 0.000 0.219 4303 A C 1.571 179.111 177.584 -0.074 0.000 1.169 4303 A CA 1.739 53.726 52.037 -0.084 0.000 0.635 4303 A CB -0.503 18.462 19.000 -0.058 0.000 0.810 4303 A HN 0.512 nan 8.150 nan 0.000 0.446 4304 N N -0.732 117.912 118.700 -0.094 0.000 2.409 4304 N HA 0.127 4.867 4.740 0.000 0.000 0.174 4304 N C 1.814 177.314 175.510 -0.017 0.000 1.037 4304 N CA 0.574 53.599 53.050 -0.040 0.000 0.898 4304 N CB -0.049 38.414 38.487 -0.041 0.000 1.010 4304 N HN 0.466 nan 8.380 nan 0.000 0.445 4305 A N 0.681 123.407 122.820 -0.157 0.000 1.969 4305 A HA -0.068 4.252 4.320 0.000 0.000 0.218 4305 A C 2.212 179.798 177.584 0.004 0.000 1.169 4305 A CA 1.296 53.247 52.037 -0.144 0.000 0.635 4305 A CB -0.643 18.026 19.000 -0.551 0.000 0.810 4305 A HN 0.133 nan 8.150 nan 0.000 0.445 4306 T N 0.442 114.972 114.554 -0.040 0.000 2.614 4306 T HA -0.020 4.330 4.350 0.000 0.000 0.263 4306 T C 2.186 176.883 174.700 -0.005 0.000 1.055 4306 T CA 1.693 63.798 62.100 0.009 0.000 1.162 4306 T CB -0.515 68.347 68.868 -0.009 0.000 0.863 4306 T HN 0.559 nan 8.240 nan 0.000 0.414 4307 A N -0.481 122.338 122.820 -0.003 0.000 2.172 4307 A HA -0.018 4.302 4.320 0.000 0.000 0.216 4307 A C 1.902 179.491 177.584 0.007 0.000 1.154 4307 A CA 0.911 52.932 52.037 -0.027 0.000 0.701 4307 A CB -0.876 18.120 19.000 -0.007 0.000 0.789 4307 A HN 0.755 nan 8.150 nan 0.000 0.465 4308 W N -0.397 120.849 121.300 -0.090 0.000 2.539 4308 W HA 0.134 4.794 4.660 0.000 0.000 0.281 4308 W C 1.436 177.902 176.519 -0.090 0.000 1.220 4308 W CA 0.893 58.200 57.345 -0.063 0.000 1.332 4308 W CB -0.026 29.427 29.460 -0.011 0.000 1.095 4308 W HN 0.189 nan 8.180 nan 0.000 0.571 4309 L N 0.998 122.213 121.223 -0.012 0.000 2.156 4309 L HA -0.131 4.209 4.340 0.000 0.000 0.208 4309 L C 2.539 179.105 176.870 -0.506 0.000 1.095 4309 L CA 1.330 56.048 54.840 -0.203 0.000 0.770 4309 L CB -0.683 41.466 42.059 0.150 0.000 0.914 4309 L HN -0.104 nan 8.230 nan 0.000 0.439 4310 K N -0.001 120.020 120.400 -0.632 0.000 2.097 4310 K HA -0.238 4.082 4.320 0.000 0.000 0.206 4310 K C 1.599 177.907 176.600 -0.487 0.000 1.049 4310 K CA 1.883 57.707 56.287 -0.771 0.000 0.933 4310 K CB 0.032 32.227 32.500 -0.507 0.000 0.717 4310 K HN 0.180 nan 8.250 nan 0.000 0.442 4311 D N -0.285 119.859 120.400 -0.427 0.000 2.194 4311 D HA -0.039 4.601 4.640 0.000 0.000 0.204 4311 D C -0.318 175.717 176.300 -0.441 0.000 0.964 4311 D CA 0.737 54.515 54.000 -0.369 0.000 0.846 4311 D CB 0.238 40.850 40.800 -0.312 0.000 0.962 4311 D HN 0.054 nan 8.370 nan 0.000 0.490 4312 N N -0.389 117.921 118.700 -0.649 0.000 2.898 4312 N HA 0.228 4.968 4.740 0.000 0.000 0.245 4312 N C -2.201 173.080 175.510 -0.381 0.000 1.185 4312 N CA -1.215 51.491 53.050 -0.573 0.000 0.879 4312 N CB 1.874 39.847 38.487 -0.857 0.000 1.157 4312 N HN -0.033 nan 8.380 nan 0.000 0.503 4313 P HA -0.132 nan 4.420 nan 0.000 0.222 4313 P C 0.846 178.114 177.300 -0.053 0.000 1.147 4313 P CA 0.967 64.018 63.100 -0.082 0.000 0.790 4313 P CB 0.425 32.087 31.700 -0.064 0.000 0.780 4314 E N -0.386 119.767 120.200 -0.078 0.000 2.038 4314 E HA -0.139 4.211 4.350 0.000 0.000 0.195 4314 E C 1.742 178.334 176.600 -0.014 0.000 1.000 4314 E CA 1.712 58.091 56.400 -0.035 0.000 0.803 4314 E CB -1.771 27.913 29.700 -0.026 0.000 0.750 4314 E HN 0.289 nan 8.360 nan 0.000 0.448 4315 T N 1.698 116.223 114.554 -0.047 0.000 2.821 4315 T HA -0.020 4.330 4.350 0.000 0.000 0.267 4315 T C 2.118 176.795 174.700 -0.039 0.000 1.046 4315 T CA 1.381 63.471 62.100 -0.016 0.000 1.139 4315 T CB -0.276 68.583 68.868 -0.015 0.000 0.871 4315 T HN 0.319 nan 8.240 nan 0.000 0.454 4316 A N 2.286 125.093 122.820 -0.022 0.000 1.877 4316 A HA -0.133 4.187 4.320 0.000 0.000 0.216 4316 A C 2.334 179.953 177.584 0.058 0.000 1.186 4316 A CA 1.211 53.290 52.037 0.071 0.000 0.620 4316 A CB -0.336 18.805 19.000 0.236 0.000 0.822 4316 A HN 0.219 nan 8.150 nan 0.000 0.443 4317 K N -0.159 120.265 120.400 0.040 0.000 2.032 4317 K HA -0.186 4.134 4.320 0.000 0.000 0.209 4317 K C 1.898 178.519 176.600 0.035 0.000 1.048 4317 K CA 1.653 57.958 56.287 0.031 0.000 0.927 4317 K CB -0.588 31.921 32.500 0.014 0.000 0.712 4317 K HN 0.756 nan 8.250 nan 0.000 0.441 4318 E N 0.538 120.762 120.200 0.040 0.000 2.085 4318 E HA -0.151 4.199 4.350 0.000 0.000 0.194 4318 E C 2.075 178.714 176.600 0.064 0.000 0.994 4318 E CA 0.973 57.411 56.400 0.063 0.000 0.801 4318 E CB 0.011 29.771 29.700 0.100 0.000 0.743 4318 E HN 0.251 nan 8.360 nan 0.000 0.453 4319 I N 0.367 120.952 120.570 0.026 0.000 2.277 4319 I HA -0.193 3.977 4.170 0.000 0.000 0.243 4319 I C 2.611 178.746 176.117 0.029 0.000 1.094 4319 I CA 0.956 62.266 61.300 0.017 0.000 1.393 4319 I CB -0.386 37.580 38.000 -0.058 0.000 1.078 4319 I HN 0.183 nan 8.210 nan 0.000 0.417 4320 E N 1.864 122.082 120.200 0.030 0.000 2.048 4320 E HA -0.345 4.005 4.350 0.000 0.000 0.202 4320 E C 2.229 178.843 176.600 0.023 0.000 1.021 4320 E CA 2.033 58.449 56.400 0.028 0.000 0.825 4320 E CB -0.058 29.681 29.700 0.066 0.000 0.756 4320 E HN 0.274 nan 8.360 nan 0.000 0.454 4321 K N 0.353 120.772 120.400 0.032 0.000 2.032 4321 K HA -0.197 4.123 4.320 0.000 0.000 0.209 4321 K C 2.180 178.798 176.600 0.030 0.000 1.048 4321 K CA 1.770 58.074 56.287 0.028 0.000 0.927 4321 K CB -0.000 32.518 32.500 0.031 0.000 0.712 4321 K HN 0.005 nan 8.250 nan 0.000 0.441 4322 K N 0.132 120.557 120.400 0.042 0.000 2.211 4322 K HA -0.085 4.235 4.320 0.000 0.000 0.203 4322 K C 1.948 178.571 176.600 0.037 0.000 1.050 4322 K CA 1.004 57.319 56.287 0.047 0.000 0.945 4322 K CB 0.098 32.640 32.500 0.071 0.000 0.732 4322 K HN 0.010 nan 8.250 nan 0.000 0.451 4323 V N 1.231 121.162 119.914 0.028 0.000 2.261 4323 V HA -0.257 3.863 4.120 0.000 0.000 0.246 4323 V C 2.202 178.298 176.094 0.004 0.000 1.047 4323 V CA 1.653 63.962 62.300 0.014 0.000 1.015 4323 V CB -0.434 31.385 31.823 -0.006 0.000 0.642 4323 V HN 0.288 nan 8.190 nan 0.000 0.446 4324 R N -0.125 120.375 120.500 -0.001 0.000 2.096 4324 R HA -0.225 4.115 4.340 0.000 0.000 0.240 4324 R C 2.333 178.637 176.300 0.005 0.000 1.139 4324 R CA 2.017 58.114 56.100 -0.004 0.000 0.952 4324 R CB -0.436 29.863 30.300 -0.002 0.000 0.854 4324 R HN 0.605 nan 8.270 nan 0.000 0.436 4325 E N 0.436 120.644 120.200 0.013 0.000 2.130 4325 E HA -0.219 4.131 4.350 0.000 0.000 0.196 4325 E C 1.978 178.588 176.600 0.017 0.000 0.998 4325 E CA 1.157 57.567 56.400 0.017 0.000 0.806 4325 E CB -0.074 29.639 29.700 0.022 0.000 0.738 4325 E HN 0.322 nan 8.360 nan 0.000 0.459 4326 L N -0.265 120.969 121.223 0.018 0.000 2.270 4326 L HA -0.043 4.297 4.340 0.000 0.000 0.210 4326 L C 1.900 178.780 176.870 0.017 0.000 1.104 4326 L CA 0.534 55.386 54.840 0.020 0.000 0.804 4326 L CB 0.254 42.328 42.059 0.024 0.000 0.937 4326 L HN 0.102 nan 8.230 nan 0.000 0.450 4327 L N -0.762 120.468 121.223 0.011 0.000 2.858 4327 L HA 0.238 4.578 4.340 0.000 0.000 0.251 4327 L C -0.232 176.642 176.870 0.006 0.000 1.149 4327 L CA -0.191 54.654 54.840 0.008 0.000 0.955 4327 L CB 0.726 42.786 42.059 0.003 0.000 1.289 4327 L HN 0.055 nan 8.230 nan 0.000 0.542 4328 L N 0.322 121.548 121.223 0.005 0.000 2.257 4328 L HA 0.247 4.587 4.340 0.000 0.000 0.290 4328 L C 0.797 177.675 176.870 0.013 0.000 1.044 4328 L CA -0.218 54.624 54.840 0.003 0.000 0.810 4328 L CB 1.384 43.441 42.059 -0.003 0.000 1.193 4328 L HN 0.057 nan 8.230 nan 0.000 0.425 4329 S N 1.622 117.333 115.700 0.018 0.000 2.849 4329 S HA 0.233 4.703 4.470 0.000 0.000 0.244 4329 S C 0.345 174.961 174.600 0.026 0.000 1.297 4329 S CA -0.522 57.696 58.200 0.031 0.000 1.241 4329 S CB -0.469 62.758 63.200 0.046 0.000 0.958 4329 S HN 0.782 nan 8.310 nan 0.000 0.489 4330 N N 1.495 120.204 118.700 0.015 0.000 3.565 4330 N HA 0.129 4.869 4.740 0.000 0.000 0.139 4330 N C -3.276 172.236 175.510 0.004 0.000 1.179 4330 N CA -0.403 52.654 53.050 0.011 0.000 1.876 4330 N CB 1.090 39.576 38.487 -0.001 0.000 1.640 4330 N HN 0.260 nan 8.380 nan 0.000 0.702 4331 P HA -0.015 nan 4.420 nan 0.000 0.270 4331 P C 0.017 177.319 177.300 0.003 0.000 1.221 4331 P CA 0.104 63.207 63.100 0.005 0.000 0.788 4331 P CB 0.635 32.340 31.700 0.009 0.000 0.904 4332 N N 0.166 118.866 118.700 0.001 0.000 2.525 4332 N HA 0.091 4.831 4.740 0.000 0.000 0.271 4332 N C 0.064 175.576 175.510 0.002 0.000 1.194 4332 N CA 0.085 53.135 53.050 0.000 0.000 0.964 4332 N CB 0.413 38.900 38.487 -0.001 0.000 1.126 4332 N HN 0.434 nan 8.380 nan 0.000 0.452 5002 I N 0.791 121.361 120.570 -0.000 0.000 2.385 5002 I HA 0.015 4.185 4.170 0.000 0.000 0.244 5002 I C 1.918 178.034 176.117 -0.001 0.000 1.089 5002 I CA 1.390 62.690 61.300 -0.000 0.000 1.410 5002 I CB -0.126 37.873 38.000 -0.001 0.000 1.117 5002 I HN 0.386 nan 8.210 nan 0.000 0.429 5003 D N 0.734 121.133 120.400 -0.002 0.000 2.339 5003 D HA -0.077 4.563 4.640 0.000 0.000 0.217 5003 D C 1.284 177.583 176.300 -0.002 0.000 1.050 5003 D CA 0.503 54.501 54.000 -0.002 0.000 0.856 5003 D CB -0.008 40.789 40.800 -0.004 0.000 0.922 5003 D HN 0.426 nan 8.370 nan 0.000 0.518 5004 E N -0.358 119.841 120.200 -0.001 0.000 2.476 5004 E HA 0.095 4.445 4.350 0.000 0.000 0.199 5004 E C 1.077 177.678 176.600 0.001 0.000 1.021 5004 E CA -0.145 56.255 56.400 -0.000 0.000 0.907 5004 E CB 0.224 29.924 29.700 -0.001 0.000 0.974 5004 E HN 0.038 nan 8.360 nan 0.000 0.489 5005 N N 0.824 119.525 118.700 0.001 0.000 2.416 5005 N HA -0.022 4.718 4.740 0.000 0.000 0.177 5005 N C 1.160 176.671 175.510 0.002 0.000 1.036 5005 N CA 0.700 53.752 53.050 0.002 0.000 0.901 5005 N CB 0.269 38.758 38.487 0.003 0.000 0.976 5005 N HN 0.118 nan 8.380 nan 0.000 0.444 5006 K N 0.531 120.932 120.400 0.001 0.000 2.005 5006 K HA 0.014 4.334 4.320 0.000 0.000 0.206 5006 K C 1.711 178.312 176.600 0.002 0.000 1.044 5006 K CA 0.872 57.160 56.287 0.001 0.000 0.942 5006 K CB -0.120 32.379 32.500 -0.000 0.000 0.727 5006 K HN 0.142 nan 8.250 nan 0.000 0.439 5007 Q N 0.899 120.699 119.800 0.001 0.000 2.369 5007 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 5007 Q C 1.973 177.975 176.000 0.002 0.000 0.963 5007 Q CA 0.885 56.689 55.803 0.001 0.000 0.894 5007 Q CB 0.192 28.930 28.738 0.000 0.000 0.965 5007 Q HN 0.178 nan 8.270 nan 0.000 0.475 5008 K N 0.257 120.659 120.400 0.002 0.000 2.116 5008 K HA -0.026 4.294 4.320 0.000 0.000 0.203 5008 K C 1.609 178.211 176.600 0.004 0.000 1.052 5008 K CA 1.171 57.460 56.287 0.003 0.000 0.952 5008 K CB 0.045 32.547 32.500 0.002 0.000 0.729 5008 K HN 0.146 nan 8.250 nan 0.000 0.446 5009 A N 1.091 123.913 122.820 0.004 0.000 2.178 5009 A HA 0.047 4.367 4.320 0.000 0.000 0.211 5009 A C 1.839 179.427 177.584 0.007 0.000 1.157 5009 A CA 0.136 52.176 52.037 0.006 0.000 0.780 5009 A CB -0.175 18.829 19.000 0.006 0.000 0.828 5009 A HN 0.352 nan 8.150 nan 0.000 0.476 5010 L N -0.103 121.123 121.223 0.006 0.000 1.993 5010 L HA 0.069 4.409 4.340 0.000 0.000 0.206 5010 L C 2.497 179.372 176.870 0.009 0.000 1.074 5010 L CA 2.292 57.137 54.840 0.007 0.000 0.746 5010 L CB -0.642 41.420 42.059 0.005 0.000 0.896 5010 L HN 0.227 nan 8.230 nan 0.000 0.435 5011 A N -0.623 122.201 122.820 0.008 0.000 2.125 5011 A HA 0.040 4.360 4.320 0.000 0.000 0.219 5011 A C 2.280 179.869 177.584 0.008 0.000 1.156 5011 A CA 1.427 53.469 52.037 0.008 0.000 0.671 5011 A CB -1.004 17.999 19.000 0.006 0.000 0.794 5011 A HN 0.637 nan 8.150 nan 0.000 0.459 5012 A N -0.630 122.194 122.820 0.007 0.000 1.975 5012 A HA 0.411 4.731 4.320 0.000 0.000 0.215 5012 A C 2.332 179.921 177.584 0.008 0.000 1.170 5012 A CA 1.358 53.399 52.037 0.006 0.000 0.656 5012 A CB -0.562 18.440 19.000 0.004 0.000 0.821 5012 A HN 0.818 nan 8.150 nan 0.000 0.449 5013 A N -0.414 122.413 122.820 0.013 0.000 1.898 5013 A HA 0.163 4.483 4.320 0.000 0.000 0.214 5013 A C 1.978 179.579 177.584 0.028 0.000 1.183 5013 A CA 1.209 53.258 52.037 0.020 0.000 0.622 5013 A CB -0.574 18.439 19.000 0.021 0.000 0.824 5013 A HN 0.355 nan 8.150 nan 0.000 0.444 5014 L N 0.138 121.377 121.223 0.025 0.000 1.963 5014 L HA -0.208 4.132 4.340 0.000 0.000 0.220 5014 L C 2.740 179.628 176.870 0.031 0.000 1.076 5014 L CA 2.379 57.237 54.840 0.030 0.000 0.772 5014 L CB -0.946 41.126 42.059 0.022 0.000 0.892 5014 L HN 0.412 nan 8.230 nan 0.000 0.435 5015 G N -2.150 106.661 108.800 0.018 0.000 2.432 5015 G HA2 -0.343 3.617 3.960 0.000 0.000 0.219 5015 G HA3 -0.343 3.617 3.960 0.000 0.000 0.219 5015 G C 1.486 176.387 174.900 0.003 0.000 1.135 5015 G CA 0.920 46.026 45.100 0.011 0.000 0.767 5015 G HN 0.439 nan 8.290 nan 0.000 0.550 5016 Q N 0.463 120.265 119.800 0.003 0.000 2.050 5016 Q HA -0.016 4.324 4.340 0.000 0.000 0.202 5016 Q C 2.352 178.340 176.000 -0.020 0.000 0.980 5016 Q CA 1.395 57.190 55.803 -0.014 0.000 0.840 5016 Q CB -0.387 28.349 28.738 -0.003 0.000 0.898 5016 Q HN 0.528 nan 8.270 nan 0.000 0.424 5017 I N 0.265 120.863 120.570 0.047 0.000 2.252 5017 I HA -0.219 3.951 4.170 0.000 0.000 0.245 5017 I C 2.255 178.451 176.117 0.132 0.000 1.102 5017 I CA 1.369 62.756 61.300 0.145 0.000 1.385 5017 I CB -0.322 37.794 38.000 0.195 0.000 1.064 5017 I HN 0.306 nan 8.210 nan 0.000 0.414 5018 E N 0.761 121.009 120.200 0.079 0.000 2.085 5018 E HA -0.275 4.075 4.350 0.000 0.000 0.194 5018 E C 2.135 178.746 176.600 0.018 0.000 0.994 5018 E CA 1.154 57.592 56.400 0.064 0.000 0.801 5018 E CB -0.050 29.675 29.700 0.042 0.000 0.743 5018 E HN 0.331 nan 8.360 nan 0.000 0.453 5019 K N 0.473 120.856 120.400 -0.029 0.000 2.217 5019 K HA -0.127 4.193 4.320 0.000 0.000 0.202 5019 K C 1.983 178.500 176.600 -0.138 0.000 1.051 5019 K CA 0.855 57.104 56.287 -0.063 0.000 0.952 5019 K CB 0.193 32.659 32.500 -0.058 0.000 0.736 5019 K HN 0.119 nan 8.250 nan 0.000 0.453 5020 Q N -1.224 118.413 119.800 -0.271 0.000 2.123 5020 Q HA -0.024 4.316 4.340 0.000 0.000 0.196 5020 Q C 0.886 176.570 176.000 -0.527 0.000 0.958 5020 Q CA 1.066 56.526 55.803 -0.572 0.000 0.841 5020 Q CB 0.292 28.363 28.738 -1.112 0.000 0.915 5020 Q HN 0.219 nan 8.270 nan 0.000 0.455 5021 F N -1.177 118.779 119.950 0.011 0.000 2.728 5021 F HA 0.409 4.936 4.527 0.000 0.000 0.314 5021 F C 0.819 176.628 175.800 0.015 0.000 1.094 5021 F CA 0.383 58.391 58.000 0.013 0.000 1.217 5021 F CB 1.292 40.301 39.000 0.015 0.000 1.056 5021 F HN 0.040 nan 8.300 nan 0.000 0.577 5022 G N 0.168 109.052 108.800 0.140 0.000 2.408 5022 G HA2 -0.100 3.860 3.960 0.000 0.000 0.682 5022 G HA3 -0.100 3.860 3.960 0.000 0.000 0.682 5022 G C 0.416 175.362 174.900 0.076 0.000 1.303 5022 G CA -0.711 44.443 45.100 0.091 0.000 0.966 5022 G HN -0.158 nan 8.290 nan 0.000 0.560 5023 K N 0.032 120.465 120.400 0.055 0.000 1.975 5023 K HA -0.107 4.213 4.320 0.000 0.000 0.225 5023 K C 2.108 178.738 176.600 0.049 0.000 1.050 5023 K CA 1.928 58.241 56.287 0.043 0.000 0.992 5023 K CB -0.762 31.759 32.500 0.034 0.000 0.738 5023 K HN 1.044 nan 8.250 nan 0.000 0.446 5024 G N 1.235 110.065 108.800 0.049 0.000 3.882 5024 G HA2 0.105 4.065 3.960 0.000 0.000 0.283 5024 G HA3 0.105 4.065 3.960 0.000 0.000 0.283 5024 G C 1.050 175.982 174.900 0.054 0.000 1.283 5024 G CA 0.162 45.289 45.100 0.046 0.000 1.402 5024 G HN 0.317 nan 8.290 nan 0.000 0.618 5025 S N -0.028 115.716 115.700 0.073 0.000 2.368 5025 S HA 0.088 4.558 4.470 0.000 0.000 0.224 5025 S C 0.836 175.466 174.600 0.050 0.000 1.029 5025 S CA 0.470 58.717 58.200 0.078 0.000 0.988 5025 S CB 0.258 63.550 63.200 0.155 0.000 0.838 5025 S HN 0.385 nan 8.310 nan 0.000 0.462 5026 I N 1.198 121.801 120.570 0.056 0.000 2.656 5026 I HA 0.595 4.765 4.170 0.000 0.000 0.292 5026 I C -1.350 174.788 176.117 0.034 0.000 1.144 5026 I CA -1.308 60.016 61.300 0.040 0.000 1.038 5026 I CB 1.940 39.968 38.000 0.046 0.000 1.244 5026 I HN 0.492 nan 8.210 nan 0.000 0.420 5027 M N 4.109 123.723 119.600 0.025 0.000 2.949 5027 M HA 0.562 5.042 4.480 0.000 0.000 0.270 5027 M C -1.340 174.966 176.300 0.011 0.000 1.221 5027 M CA -1.073 54.238 55.300 0.018 0.000 0.818 5027 M CB 1.391 34.001 32.600 0.016 0.000 1.635 5027 M HN 0.281 nan 8.290 nan 0.000 0.492 5028 R N 0.924 121.428 120.500 0.006 0.000 2.590 5028 R HA 0.306 4.646 4.340 0.000 0.000 0.274 5028 R C 0.949 177.243 176.300 -0.010 0.000 1.061 5028 R CA -0.190 55.910 56.100 -0.002 0.000 1.081 5028 R CB 0.356 30.654 30.300 -0.003 0.000 0.984 5028 R HN 0.680 nan 8.270 nan 0.000 0.448 5029 L N 2.101 123.310 121.223 -0.023 0.000 1.989 5029 L HA -0.164 4.176 4.340 0.000 0.000 0.211 5029 L C 1.976 178.827 176.870 -0.032 0.000 1.071 5029 L CA 2.161 56.977 54.840 -0.041 0.000 0.749 5029 L CB -0.660 41.356 42.059 -0.072 0.000 0.890 5029 L HN 1.018 nan 8.230 nan 0.000 0.431 5030 G N -0.061 108.722 108.800 -0.027 0.000 2.517 5030 G HA2 -0.274 3.686 3.960 0.000 0.000 0.222 5030 G HA3 -0.274 3.686 3.960 0.000 0.000 0.222 5030 G C 0.889 175.781 174.900 -0.013 0.000 1.109 5030 G CA 1.009 46.097 45.100 -0.021 0.000 0.746 5030 G HN 0.728 nan 8.290 nan 0.000 0.576 5031 E N 0.019 120.213 120.200 -0.010 0.000 2.939 5031 E HA 0.224 4.574 4.350 0.000 0.000 0.215 5031 E C -1.050 175.549 176.600 -0.002 0.000 1.025 5031 E CA -0.568 55.829 56.400 -0.004 0.000 1.259 5031 E CB 0.423 30.122 29.700 -0.002 0.000 1.228 5031 E HN 0.056 nan 8.360 nan 0.000 0.443 5032 D N 1.371 121.768 120.400 -0.005 0.000 2.329 5032 D HA 0.154 4.794 4.640 0.000 0.000 0.232 5032 D C 0.641 176.943 176.300 0.003 0.000 1.088 5032 D CA -0.451 53.549 54.000 0.000 0.000 0.835 5032 D CB 1.026 41.823 40.800 -0.004 0.000 1.078 5032 D HN 0.008 nan 8.370 nan 0.000 0.495 5033 R N 1.442 121.947 120.500 0.008 0.000 2.140 5033 R HA -0.026 4.314 4.340 0.000 0.000 0.213 5033 R C 1.910 178.218 176.300 0.013 0.000 1.059 5033 R CA 0.479 56.584 56.100 0.009 0.000 1.000 5033 R CB -0.602 29.704 30.300 0.009 0.000 0.910 5033 R HN 0.453 nan 8.270 nan 0.000 0.455 5034 S N -0.102 115.610 115.700 0.020 0.000 2.489 5034 S HA -0.063 4.407 4.470 0.000 0.000 0.228 5034 S C 1.889 176.508 174.600 0.032 0.000 0.995 5034 S CA 0.526 58.743 58.200 0.029 0.000 0.934 5034 S CB -0.014 63.211 63.200 0.042 0.000 0.771 5034 S HN 0.039 nan 8.310 nan 0.000 0.522 5035 M N 2.354 121.966 119.600 0.020 0.000 2.236 5035 M HA 0.185 4.665 4.480 0.000 0.000 0.266 5035 M C -0.541 175.764 176.300 0.008 0.000 1.070 5035 M CA 0.529 55.837 55.300 0.013 0.000 1.137 5035 M CB -0.820 31.776 32.600 -0.008 0.000 1.378 5035 M HN 0.036 nan 8.290 nan 0.000 0.426 5036 D N 0.861 121.265 120.400 0.006 0.000 2.730 5036 D HA -0.067 4.573 4.640 0.000 0.000 0.225 5036 D C -0.264 176.038 176.300 0.004 0.000 1.107 5036 D CA 0.336 54.338 54.000 0.003 0.000 0.837 5036 D CB 0.402 41.204 40.800 0.003 0.000 1.171 5036 D HN -0.031 nan 8.370 nan 0.000 0.498 5037 V N 3.397 123.312 119.914 0.000 0.000 2.304 5037 V HA -0.065 4.055 4.120 0.000 0.000 0.239 5037 V C 0.912 177.003 176.094 -0.004 0.000 1.201 5037 V CA 0.323 62.621 62.300 -0.003 0.000 1.254 5037 V CB -0.837 30.982 31.823 -0.006 0.000 1.335 5037 V HN 0.386 nan 8.190 nan 0.000 0.491 5038 E N 3.539 123.737 120.200 -0.002 0.000 2.200 5038 E HA 0.426 4.776 4.350 0.000 0.000 0.283 5038 E C 0.110 176.705 176.600 -0.009 0.000 1.015 5038 E CA -0.462 55.935 56.400 -0.004 0.000 0.819 5038 E CB 1.044 30.743 29.700 -0.002 0.000 1.081 5038 E HN 0.692 nan 8.360 nan 0.000 0.397 5039 T N 2.423 116.970 114.554 -0.012 0.000 2.856 5039 T HA 0.530 4.880 4.350 0.000 0.000 0.283 5039 T C -0.107 174.583 174.700 -0.017 0.000 1.008 5039 T CA -0.960 61.130 62.100 -0.017 0.000 0.997 5039 T CB 0.935 69.790 68.868 -0.021 0.000 0.992 5039 T HN 0.239 nan 8.240 nan 0.000 0.454 5040 I N 1.971 122.530 120.570 -0.020 0.000 2.607 5040 I HA 0.415 4.585 4.170 0.000 0.000 0.305 5040 I C 1.025 177.129 176.117 -0.022 0.000 0.995 5040 I CA -0.726 60.562 61.300 -0.020 0.000 1.148 5040 I CB 1.811 39.800 38.000 -0.020 0.000 1.323 5040 I HN 0.863 nan 8.210 nan 0.000 0.461 5041 S N 1.957 117.647 115.700 -0.017 0.000 2.568 5041 S HA 0.067 4.537 4.470 0.000 0.000 0.282 5041 S C 1.329 175.915 174.600 -0.024 0.000 1.338 5041 S CA 0.075 58.267 58.200 -0.013 0.000 1.045 5041 S CB 0.402 63.609 63.200 0.010 0.000 0.873 5041 S HN 0.773 nan 8.310 nan 0.000 0.516 5042 T N 1.373 115.902 114.554 -0.041 0.000 3.067 5042 T HA 0.322 4.672 4.350 0.000 0.000 0.257 5042 T C 1.469 176.135 174.700 -0.058 0.000 1.105 5042 T CA 0.597 62.663 62.100 -0.056 0.000 1.104 5042 T CB -0.250 68.565 68.868 -0.089 0.000 0.925 5042 T HN 1.485 nan 8.240 nan 0.000 0.498 5043 G N 0.545 109.325 108.800 -0.033 0.000 2.175 5043 G HA2 -0.188 3.772 3.960 0.000 0.000 0.244 5043 G HA3 -0.188 3.772 3.960 0.000 0.000 0.244 5043 G C 0.143 175.000 174.900 -0.072 0.000 0.982 5043 G CA 0.122 45.226 45.100 0.006 0.000 0.641 5043 G HN 1.039 nan 8.290 nan 0.000 0.527 5044 S N -0.433 115.125 115.700 -0.236 0.000 2.707 5044 S HA 0.605 5.075 4.470 0.000 0.000 0.303 5044 S C 1.017 175.365 174.600 -0.421 0.000 1.132 5044 S CA 0.075 57.970 58.200 -0.507 0.000 1.046 5044 S CB 1.293 63.934 63.200 -0.931 0.000 1.004 5044 S HN 0.892 nan 8.310 nan 0.000 0.483 5045 L N 5.650 126.546 121.223 -0.544 0.000 1.976 5045 L HA -0.026 4.314 4.340 0.000 0.000 0.209 5045 L C 2.710 179.413 176.870 -0.279 0.000 1.071 5045 L CA 2.895 57.466 54.840 -0.449 0.000 0.746 5045 L CB -0.929 40.737 42.059 -0.656 0.000 0.890 5045 L HN 0.901 nan 8.230 nan 0.000 0.432 5046 S N -1.060 114.487 115.700 -0.255 0.000 2.420 5046 S HA -0.258 4.212 4.470 0.000 0.000 0.237 5046 S C 2.089 176.632 174.600 -0.095 0.000 1.023 5046 S CA 1.680 59.805 58.200 -0.125 0.000 0.991 5046 S CB -1.052 62.122 63.200 -0.043 0.000 0.792 5046 S HN 0.513 nan 8.310 nan 0.000 0.488 5047 L N 1.433 122.566 121.223 -0.151 0.000 2.023 5047 L HA -0.086 4.254 4.340 0.000 0.000 0.205 5047 L C 2.222 179.032 176.870 -0.099 0.000 1.073 5047 L CA 1.913 56.689 54.840 -0.107 0.000 0.745 5047 L CB -0.526 41.438 42.059 -0.158 0.000 0.900 5047 L HN 0.227 nan 8.230 nan 0.000 0.435 5048 D N 0.111 120.437 120.400 -0.124 0.000 2.133 5048 D HA -0.243 4.397 4.640 0.000 0.000 0.195 5048 D C 2.207 178.463 176.300 -0.073 0.000 0.997 5048 D CA 1.673 55.618 54.000 -0.092 0.000 0.840 5048 D CB -0.130 40.615 40.800 -0.092 0.000 0.947 5048 D HN 0.417 nan 8.370 nan 0.000 0.452 5049 I N 1.331 121.854 120.570 -0.079 0.000 2.142 5049 I HA -0.261 3.909 4.170 0.000 0.000 0.240 5049 I C 2.566 178.660 176.117 -0.038 0.000 1.078 5049 I CA 1.142 62.409 61.300 -0.054 0.000 1.343 5049 I CB -0.178 37.788 38.000 -0.056 0.000 1.046 5049 I HN -0.079 nan 8.210 nan 0.000 0.405 5050 A N 0.446 123.244 122.820 -0.037 0.000 1.972 5050 A HA -0.153 4.167 4.320 0.000 0.000 0.219 5050 A C 2.246 179.805 177.584 -0.042 0.000 1.169 5050 A CA 1.275 53.297 52.037 -0.025 0.000 0.635 5050 A CB -0.819 18.172 19.000 -0.015 0.000 0.810 5050 A HN 0.412 nan 8.150 nan 0.000 0.446 5051 L N -1.540 119.649 121.223 -0.056 0.000 2.191 5051 L HA -0.046 4.294 4.340 0.000 0.000 0.212 5051 L C 2.259 179.091 176.870 -0.064 0.000 1.103 5051 L CA 0.964 55.763 54.840 -0.069 0.000 0.769 5051 L CB -0.376 41.642 42.059 -0.068 0.000 0.908 5051 L HN 0.620 nan 8.230 nan 0.000 0.438 5052 G N -0.794 107.978 108.800 -0.046 0.000 2.396 5052 G HA2 -0.404 3.556 3.960 0.000 0.000 0.242 5052 G HA3 -0.404 3.556 3.960 0.000 0.000 0.242 5052 G C 0.956 175.838 174.900 -0.031 0.000 1.069 5052 G CA 0.472 45.552 45.100 -0.033 0.000 0.633 5052 G HN 0.504 nan 8.290 nan 0.000 0.517 5053 A N 0.293 123.088 122.820 -0.041 0.000 2.387 5053 A HA 0.620 4.940 4.320 0.000 0.000 0.234 5053 A C 2.327 179.892 177.584 -0.031 0.000 1.253 5053 A CA 1.612 53.629 52.037 -0.033 0.000 0.894 5053 A CB -0.411 18.564 19.000 -0.041 0.000 0.963 5053 A HN 2.493 nan 8.150 nan 0.000 0.508 5054 G N -2.288 106.491 108.800 -0.036 0.000 2.143 5054 G HA2 0.244 4.204 3.960 0.000 0.000 0.249 5054 G HA3 0.244 4.204 3.960 0.000 0.000 0.249 5054 G C 0.990 175.867 174.900 -0.038 0.000 0.981 5054 G CA 0.521 45.600 45.100 -0.035 0.000 0.665 5054 G HN 2.222 nan 8.290 nan 0.000 0.528 5055 G N -1.601 107.174 108.800 -0.043 0.000 2.345 5055 G HA2 0.477 4.437 3.960 0.000 0.000 0.285 5055 G HA3 0.477 4.437 3.960 0.000 0.000 0.285 5055 G C -0.901 173.974 174.900 -0.042 0.000 1.297 5055 G CA -0.485 44.589 45.100 -0.043 0.000 0.875 5055 G HN 0.929 nan 8.290 nan 0.000 0.506 5056 L N 2.224 123.425 121.223 -0.037 0.000 2.276 5056 L HA 0.416 4.756 4.340 0.000 0.000 0.286 5056 L C -1.872 174.983 176.870 -0.024 0.000 1.061 5056 L CA -1.777 53.043 54.840 -0.033 0.000 0.807 5056 L CB 1.545 43.586 42.059 -0.030 0.000 1.177 5056 L HN 0.299 nan 8.230 nan 0.000 0.429 5057 P HA 0.057 nan 4.420 nan 0.000 0.271 5057 P C -0.659 176.639 177.300 -0.003 0.000 1.220 5057 P CA -0.271 62.822 63.100 -0.012 0.000 0.768 5057 P CB 0.712 32.405 31.700 -0.012 0.000 0.848 5058 M N 2.198 121.797 119.600 -0.001 0.000 2.233 5058 M HA 0.242 4.722 4.480 0.000 0.000 0.350 5058 M C 1.646 177.954 176.300 0.013 0.000 1.176 5058 M CA 0.571 55.872 55.300 0.002 0.000 1.150 5058 M CB -0.546 32.053 32.600 -0.001 0.000 1.530 5058 M HN 0.832 nan 8.290 nan 0.000 0.459 5059 G N 2.383 111.191 108.800 0.013 0.000 2.179 5059 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 5059 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 5059 G C 0.361 175.286 174.900 0.042 0.000 0.977 5059 G CA -0.115 44.998 45.100 0.023 0.000 0.641 5059 G HN 0.547 nan 8.290 nan 0.000 0.533 5060 R N -0.686 119.841 120.500 0.045 0.000 2.893 5060 R HA 0.807 5.147 4.340 0.000 0.000 0.245 5060 R C -0.234 176.115 176.300 0.082 0.000 1.192 5060 R CA -0.936 55.205 56.100 0.069 0.000 1.077 5060 R CB 0.515 30.846 30.300 0.051 0.000 1.253 5060 R HN 0.185 nan 8.270 nan 0.000 0.505 5061 I N 0.181 120.823 120.570 0.120 0.000 2.441 5061 I HA 0.341 4.511 4.170 0.000 0.000 0.295 5061 I C -0.289 175.907 176.117 0.132 0.000 0.994 5061 I CA -0.679 60.721 61.300 0.165 0.000 1.144 5061 I CB 1.848 39.992 38.000 0.240 0.000 1.314 5061 I HN 0.044 nan 8.210 nan 0.000 0.445 5062 V N 4.764 124.760 119.914 0.136 0.000 2.588 5062 V HA 0.430 4.550 4.120 0.000 0.000 0.304 5062 V C -0.351 175.823 176.094 0.134 0.000 1.042 5062 V CA -0.738 61.613 62.300 0.085 0.000 0.877 5062 V CB 1.855 33.693 31.823 0.024 0.000 0.996 5062 V HN 0.758 nan 8.190 nan 0.000 0.425 5063 E N 4.242 124.497 120.200 0.092 0.000 2.151 5063 E HA 0.619 4.969 4.350 0.000 0.000 0.275 5063 E C -1.386 175.223 176.600 0.014 0.000 0.936 5063 E CA -0.567 55.901 56.400 0.113 0.000 0.777 5063 E CB 1.390 31.165 29.700 0.123 0.000 1.108 5063 E HN 0.634 nan 8.360 nan 0.000 0.401 5064 I N 5.759 126.348 120.570 0.033 0.000 2.389 5064 I HA 0.296 4.466 4.170 0.000 0.000 0.288 5064 I C -0.874 175.271 176.117 0.048 0.000 0.999 5064 I CA -0.973 60.298 61.300 -0.048 0.000 1.129 5064 I CB 0.629 38.618 38.000 -0.017 0.000 1.288 5064 I HN 0.478 nan 8.210 nan 0.000 0.444 5065 Y N 4.230 124.545 120.300 0.025 0.000 2.602 5065 Y HA 1.009 5.559 4.550 0.000 0.000 0.342 5065 Y C -0.126 175.787 175.900 0.022 0.000 1.029 5065 Y CA -1.651 56.464 58.100 0.024 0.000 1.080 5065 Y CB 1.708 40.176 38.460 0.013 0.000 1.284 5065 Y HN 0.675 nan 8.280 nan 0.000 0.485 5066 G N 0.474 109.474 108.800 0.333 0.000 2.316 5066 G HA2 0.420 4.380 3.960 0.000 0.000 0.296 5066 G HA3 0.420 4.380 3.960 0.000 0.000 0.296 5066 G C -3.549 171.431 174.900 0.134 0.000 1.399 5066 G CA -1.349 43.879 45.100 0.214 0.000 0.833 5066 G HN 0.504 nan 8.290 nan 0.000 0.565 5067 P HA 0.261 nan 4.420 nan 0.000 0.269 5067 P C -0.168 177.166 177.300 0.056 0.000 1.217 5067 P CA -0.055 63.082 63.100 0.063 0.000 0.783 5067 P CB 0.240 31.968 31.700 0.047 0.000 0.898 5068 E N 0.613 120.838 120.200 0.042 0.000 2.502 5068 E HA 0.101 4.451 4.350 0.000 0.000 0.261 5068 E C 0.444 177.061 176.600 0.028 0.000 0.974 5068 E CA 0.275 56.696 56.400 0.034 0.000 0.936 5068 E CB -0.593 29.120 29.700 0.021 0.000 0.926 5068 E HN 0.300 nan 8.360 nan 0.000 0.459 5069 S N 0.458 116.174 115.700 0.027 0.000 2.981 5069 S HA -0.284 4.186 4.470 0.000 0.000 0.274 5069 S C 1.446 176.075 174.600 0.047 0.000 1.297 5069 S CA 1.193 59.404 58.200 0.019 0.000 1.266 5069 S CB -1.786 61.407 63.200 -0.011 0.000 1.542 5069 S HN 0.785 nan 8.310 nan 0.000 0.674 5070 S N 0.554 116.287 115.700 0.056 0.000 2.359 5070 S HA 0.224 4.694 4.470 0.000 0.000 0.224 5070 S C 1.743 176.389 174.600 0.076 0.000 1.035 5070 S CA 1.610 59.844 58.200 0.057 0.000 1.018 5070 S CB -0.503 62.733 63.200 0.060 0.000 0.876 5070 S HN 2.077 nan 8.310 nan 0.000 0.448 5071 G N 0.431 109.291 108.800 0.100 0.000 2.215 5071 G HA2 -0.093 3.867 3.960 0.000 0.000 0.187 5071 G HA3 -0.093 3.867 3.960 0.000 0.000 0.187 5071 G C 0.518 175.500 174.900 0.137 0.000 1.039 5071 G CA 0.134 45.317 45.100 0.138 0.000 0.771 5071 G HN 0.434 nan 8.290 nan 0.000 0.507 5072 K N 0.060 120.529 120.400 0.114 0.000 1.987 5072 K HA -0.097 4.223 4.320 0.000 0.000 0.216 5072 K C 2.581 179.256 176.600 0.125 0.000 1.051 5072 K CA 2.167 58.517 56.287 0.106 0.000 0.942 5072 K CB -0.434 32.126 32.500 0.099 0.000 0.722 5072 K HN 0.242 nan 8.250 nan 0.000 0.444 5073 T N 0.957 115.602 114.554 0.151 0.000 2.665 5073 T HA -0.181 4.169 4.350 0.000 0.000 0.268 5073 T C 1.958 176.784 174.700 0.211 0.000 1.035 5073 T CA 2.032 64.257 62.100 0.210 0.000 1.151 5073 T CB -0.583 68.424 68.868 0.233 0.000 0.862 5073 T HN 0.333 nan 8.240 nan 0.000 0.438 5074 T N 2.561 117.237 114.554 0.204 0.000 2.570 5074 T HA -0.119 4.231 4.350 0.000 0.000 0.266 5074 T C 1.883 176.672 174.700 0.147 0.000 1.071 5074 T CA 1.349 63.569 62.100 0.201 0.000 1.172 5074 T CB -0.744 68.276 68.868 0.252 0.000 0.864 5074 T HN 0.233 nan 8.240 nan 0.000 0.421 5075 L N 0.329 121.640 121.223 0.147 0.000 1.990 5075 L HA -0.230 4.110 4.340 0.000 0.000 0.213 5075 L C 2.706 179.623 176.870 0.078 0.000 1.072 5075 L CA 1.848 56.754 54.840 0.111 0.000 0.755 5075 L CB -0.913 41.214 42.059 0.114 0.000 0.889 5075 L HN 0.340 nan 8.230 nan 0.000 0.432 5076 T N 0.476 115.085 114.554 0.092 0.000 2.592 5076 T HA -0.308 4.042 4.350 0.000 0.000 0.267 5076 T C 1.804 176.567 174.700 0.106 0.000 1.060 5076 T CA 2.340 64.492 62.100 0.085 0.000 1.167 5076 T CB -0.412 68.525 68.868 0.115 0.000 0.863 5076 T HN 0.307 nan 8.240 nan 0.000 0.431 5077 L N 0.758 122.066 121.223 0.142 0.000 2.083 5077 L HA -0.116 4.224 4.340 0.000 0.000 0.209 5077 L C 2.969 179.859 176.870 0.033 0.000 1.083 5077 L CA 1.152 56.052 54.840 0.099 0.000 0.752 5077 L CB -0.490 41.599 42.059 0.050 0.000 0.899 5077 L HN 0.248 nan 8.230 nan 0.000 0.433 5078 Q N -0.406 119.410 119.800 0.026 0.000 2.224 5078 Q HA -0.138 4.202 4.340 0.000 0.000 0.203 5078 Q C 2.390 178.386 176.000 -0.006 0.000 0.970 5078 Q CA 1.816 57.619 55.803 0.000 0.000 0.865 5078 Q CB -0.239 28.503 28.738 0.006 0.000 0.922 5078 Q HN 0.635 nan 8.270 nan 0.000 0.445 5079 V N -2.515 117.401 119.914 0.003 0.000 2.788 5079 V HA -0.076 4.044 4.120 0.000 0.000 0.251 5079 V C 1.998 178.089 176.094 -0.005 0.000 1.068 5079 V CA 0.759 63.055 62.300 -0.007 0.000 1.090 5079 V CB -0.467 31.350 31.823 -0.010 0.000 0.710 5079 V HN 0.135 nan 8.190 nan 0.000 0.467 5080 I N 1.153 121.729 120.570 0.011 0.000 2.163 5080 I HA -0.114 4.056 4.170 0.000 0.000 0.240 5080 I C 3.031 179.144 176.117 -0.008 0.000 1.081 5080 I CA 1.589 62.898 61.300 0.015 0.000 1.353 5080 I CB -0.756 37.277 38.000 0.055 0.000 1.054 5080 I HN 0.409 nan 8.210 nan 0.000 0.407 5081 A N 1.028 123.837 122.820 -0.018 0.000 1.869 5081 A HA -0.272 4.048 4.320 0.000 0.000 0.218 5081 A C 2.408 179.965 177.584 -0.045 0.000 1.203 5081 A CA 2.374 54.388 52.037 -0.039 0.000 0.638 5081 A CB -1.037 17.932 19.000 -0.052 0.000 0.831 5081 A HN 0.467 nan 8.150 nan 0.000 0.450 5082 A N -1.207 121.586 122.820 -0.046 0.000 2.209 5082 A HA 0.398 4.719 4.320 0.000 0.000 0.212 5082 A C 2.157 179.717 177.584 -0.040 0.000 1.158 5082 A CA 1.531 53.536 52.037 -0.054 0.000 0.742 5082 A CB -0.604 18.365 19.000 -0.051 0.000 0.790 5082 A HN 0.982 nan 8.150 nan 0.000 0.472 5083 A N -0.836 121.966 122.820 -0.030 0.000 1.911 5083 A HA -0.008 4.312 4.320 0.000 0.000 0.212 5083 A C 1.976 179.545 177.584 -0.026 0.000 1.189 5083 A CA 1.016 53.038 52.037 -0.025 0.000 0.639 5083 A CB -0.294 18.695 19.000 -0.018 0.000 0.839 5083 A HN 0.524 nan 8.150 nan 0.000 0.449 5084 Q N -0.982 118.803 119.800 -0.026 0.000 2.369 5084 Q HA -0.042 4.298 4.340 0.000 0.000 0.206 5084 Q C 1.983 177.962 176.000 -0.034 0.000 0.963 5084 Q CA 0.820 56.608 55.803 -0.027 0.000 0.894 5084 Q CB -0.014 28.709 28.738 -0.025 0.000 0.965 5084 Q HN 0.498 nan 8.270 nan 0.000 0.475 5085 R N 0.711 121.185 120.500 -0.043 0.000 2.276 5085 R HA -0.043 4.297 4.340 0.000 0.000 0.203 5085 R C 0.626 176.898 176.300 -0.046 0.000 1.017 5085 R CA 0.854 56.923 56.100 -0.052 0.000 1.010 5085 R CB 0.395 30.652 30.300 -0.071 0.000 0.900 5085 R HN 0.163 nan 8.270 nan 0.000 0.469 5086 E N -1.479 118.698 120.200 -0.038 0.000 2.624 5086 E HA 0.194 4.544 4.350 0.000 0.000 0.210 5086 E C -0.067 176.518 176.600 -0.025 0.000 0.997 5086 E CA 0.264 56.645 56.400 -0.032 0.000 0.999 5086 E CB 1.257 30.939 29.700 -0.030 0.000 1.040 5086 E HN 0.373 nan 8.360 nan 0.000 0.469 5087 G N 2.482 111.268 108.800 -0.025 0.000 2.225 5087 G HA2 -0.305 3.655 3.960 0.000 0.000 0.264 5087 G HA3 -0.305 3.655 3.960 0.000 0.000 0.264 5087 G C -0.143 174.746 174.900 -0.017 0.000 1.060 5087 G CA 0.332 45.419 45.100 -0.020 0.000 0.833 5087 G HN 0.106 nan 8.290 nan 0.000 0.498 5088 K N 0.146 120.535 120.400 -0.018 0.000 2.208 5088 K HA 0.616 4.936 4.320 0.000 0.000 0.247 5088 K C 0.145 176.737 176.600 -0.013 0.000 0.953 5088 K CA -0.507 55.771 56.287 -0.015 0.000 0.837 5088 K CB 1.425 33.916 32.500 -0.016 0.000 1.131 5088 K HN 0.168 nan 8.250 nan 0.000 0.431 5089 T N 0.276 114.823 114.554 -0.011 0.000 2.837 5089 T HA 0.367 4.717 4.350 0.000 0.000 0.285 5089 T C -0.155 174.540 174.700 -0.007 0.000 0.984 5089 T CA -0.711 61.384 62.100 -0.008 0.000 1.049 5089 T CB 0.323 69.186 68.868 -0.008 0.000 0.947 5089 T HN 0.508 nan 8.240 nan 0.000 0.472 5090 C N 2.224 121.525 119.300 0.001 0.000 2.456 5090 C HA 0.937 5.397 4.460 0.000 0.000 0.325 5090 C C 0.554 175.559 174.990 0.024 0.000 1.217 5090 C CA -0.945 58.079 59.018 0.010 0.000 1.687 5090 C CB 0.535 28.291 27.740 0.027 0.000 2.270 5090 C HN 1.121 nan 8.230 nan 0.000 0.499 5091 A N 1.779 124.608 122.820 0.015 0.000 2.374 5091 A HA 0.889 5.209 4.320 0.000 0.000 0.317 5091 A C -1.351 176.265 177.584 0.054 0.000 1.094 5091 A CA -0.291 51.764 52.037 0.030 0.000 0.765 5091 A CB 0.971 19.964 19.000 -0.011 0.000 1.268 5091 A HN 0.834 nan 8.150 nan 0.000 0.438 5092 F N 2.635 122.546 119.950 -0.066 0.000 2.529 5092 F HA 0.591 5.118 4.527 0.000 0.000 0.320 5092 F C -0.730 175.021 175.800 -0.081 0.000 1.118 5092 F CA -0.835 57.121 58.000 -0.073 0.000 0.915 5092 F CB 1.626 40.593 39.000 -0.055 0.000 1.161 5092 F HN 0.371 nan 8.300 nan 0.000 0.445 5093 I N 4.601 125.043 120.570 -0.212 0.000 2.412 5093 I HA 0.133 4.303 4.170 0.000 0.000 0.279 5093 I C -0.206 175.887 176.117 -0.039 0.000 1.063 5093 I CA -0.421 60.821 61.300 -0.097 0.000 1.193 5093 I CB 0.425 38.320 38.000 -0.176 0.000 1.370 5093 I HN 0.515 nan 8.210 nan 0.000 0.479 5094 D N 4.850 125.374 120.400 0.208 0.000 2.767 5094 D HA 0.258 4.898 4.640 0.000 0.000 0.231 5094 D C 1.426 177.665 176.300 -0.101 0.000 1.105 5094 D CA 0.068 54.192 54.000 0.207 0.000 1.024 5094 D CB 0.658 41.541 40.800 0.138 0.000 1.123 5094 D HN 0.587 nan 8.370 nan 0.000 0.470 5095 A N 1.753 124.536 122.820 -0.062 0.000 2.070 5095 A HA -0.157 4.163 4.320 0.000 0.000 0.220 5095 A C 1.984 179.602 177.584 0.055 0.000 1.159 5095 A CA 0.924 52.929 52.037 -0.054 0.000 0.656 5095 A CB -0.291 18.717 19.000 0.013 0.000 0.800 5095 A HN 0.515 nan 8.150 nan 0.000 0.453 5096 E N -1.094 119.151 120.200 0.074 0.000 2.274 5096 E HA -0.136 4.214 4.350 0.000 0.000 0.194 5096 E C -0.432 176.294 176.600 0.211 0.000 0.996 5096 E CA 0.243 56.726 56.400 0.138 0.000 0.840 5096 E CB -0.143 29.630 29.700 0.121 0.000 0.772 5096 E HN 0.688 nan 8.360 nan 0.000 0.491 5097 H N -1.957 117.160 119.070 0.077 0.000 2.748 5097 H HA -0.199 4.357 4.556 0.000 0.000 0.322 5097 H C -0.364 174.988 175.328 0.040 0.000 1.208 5097 H CA 0.678 56.759 56.048 0.054 0.000 1.151 5097 H CB -1.472 28.312 29.762 0.037 0.000 1.505 5097 H HN 0.265 nan 8.280 nan 0.000 0.429 5098 A N 0.688 123.572 122.820 0.106 0.000 2.683 5098 A HA 0.257 4.577 4.320 0.000 0.000 0.207 5098 A C -0.150 177.456 177.584 0.036 0.000 0.945 5098 A CA -0.500 51.579 52.037 0.069 0.000 1.233 5098 A CB 0.421 19.464 19.000 0.072 0.000 1.227 5098 A HN 0.135 nan 8.150 nan 0.000 0.470 5099 L N 0.925 122.145 121.223 -0.004 0.000 2.290 5099 L HA 0.576 4.916 4.340 0.000 0.000 0.284 5099 L C -0.526 176.304 176.870 -0.067 0.000 1.078 5099 L CA -0.020 54.767 54.840 -0.088 0.000 0.815 5099 L CB 0.942 42.812 42.059 -0.315 0.000 1.162 5099 L HN 0.233 nan 8.230 nan 0.000 0.435 5100 D N 7.305 127.693 120.400 -0.020 0.000 2.347 5100 D HA 0.239 4.879 4.640 0.000 0.000 0.235 5100 D C -1.786 174.517 176.300 0.004 0.000 1.149 5100 D CA -2.084 51.923 54.000 0.013 0.000 0.850 5100 D CB 1.580 42.412 40.800 0.053 0.000 1.061 5100 D HN 0.363 nan 8.370 nan 0.000 0.487 5101 P HA -0.196 nan 4.420 nan 0.000 0.212 5101 P C 1.738 179.033 177.300 -0.008 0.000 1.178 5101 P CA 0.883 63.958 63.100 -0.043 0.000 0.915 5101 P CB 0.343 32.021 31.700 -0.035 0.000 0.788 5102 I N -1.785 118.797 120.570 0.019 0.000 2.185 5102 I HA -0.289 3.881 4.170 0.000 0.000 0.246 5102 I C 2.736 178.903 176.117 0.084 0.000 1.088 5102 I CA 1.722 63.046 61.300 0.039 0.000 1.347 5102 I CB -1.315 36.710 38.000 0.042 0.000 1.041 5102 I HN -0.103 nan 8.210 nan 0.000 0.415 5103 Y N 1.230 121.512 120.300 -0.030 0.000 2.133 5103 Y HA -0.219 4.331 4.550 0.000 0.000 0.287 5103 Y C 2.526 178.411 175.900 -0.025 0.000 1.134 5103 Y CA 1.151 59.240 58.100 -0.017 0.000 1.133 5103 Y CB -0.848 37.604 38.460 -0.014 0.000 0.987 5103 Y HN 0.130 nan 8.280 nan 0.000 0.502 5104 A N 0.702 123.502 122.820 -0.033 0.000 1.940 5104 A HA -0.326 3.994 4.320 0.000 0.000 0.221 5104 A C 2.458 179.952 177.584 -0.150 0.000 1.190 5104 A CA 2.290 54.246 52.037 -0.136 0.000 0.647 5104 A CB -0.946 17.977 19.000 -0.129 0.000 0.821 5104 A HN 0.533 nan 8.150 nan 0.000 0.457 5105 R N -0.262 120.181 120.500 -0.095 0.000 2.081 5105 R HA -0.125 4.215 4.340 0.000 0.000 0.235 5105 R C 1.920 178.159 176.300 -0.100 0.000 1.131 5105 R CA 1.826 57.879 56.100 -0.079 0.000 0.960 5105 R CB -0.257 30.017 30.300 -0.042 0.000 0.856 5105 R HN 0.548 nan 8.270 nan 0.000 0.436 5106 K N 0.256 120.583 120.400 -0.121 0.000 2.442 5106 K HA -0.039 4.281 4.320 0.000 0.000 0.198 5106 K C 1.509 177.988 176.600 -0.201 0.000 1.042 5106 K CA 0.572 56.785 56.287 -0.125 0.000 0.958 5106 K CB 0.128 32.596 32.500 -0.053 0.000 0.766 5106 K HN 0.271 nan 8.250 nan 0.000 0.474 5107 L N -0.554 120.504 121.223 -0.275 0.000 2.607 5107 L HA 0.141 4.481 4.340 0.000 0.000 0.228 5107 L C 0.901 177.692 176.870 -0.131 0.000 1.123 5107 L CA 0.190 54.888 54.840 -0.237 0.000 0.890 5107 L CB 0.236 42.110 42.059 -0.308 0.000 1.103 5107 L HN 0.373 nan 8.230 nan 0.000 0.468 5108 G N 0.505 109.239 108.800 -0.110 0.000 2.132 5108 G HA2 -0.225 3.735 3.960 0.000 0.000 0.234 5108 G HA3 -0.225 3.735 3.960 0.000 0.000 0.234 5108 G C 0.080 174.937 174.900 -0.072 0.000 0.989 5108 G CA -0.079 44.973 45.100 -0.080 0.000 0.676 5108 G HN 0.092 nan 8.290 nan 0.000 0.522 5109 V N 0.603 120.470 119.914 -0.078 0.000 2.546 5109 V HA 0.427 4.547 4.120 0.000 0.000 0.284 5109 V C 0.432 176.494 176.094 -0.054 0.000 1.050 5109 V CA -0.437 61.826 62.300 -0.062 0.000 0.981 5109 V CB 1.744 33.526 31.823 -0.070 0.000 0.990 5109 V HN 0.267 nan 8.190 nan 0.000 0.474 5110 D N 3.839 124.214 120.400 -0.042 0.000 2.435 5110 D HA 0.207 4.847 4.640 0.000 0.000 0.230 5110 D C 1.121 177.399 176.300 -0.036 0.000 1.215 5110 D CA -0.282 53.697 54.000 -0.037 0.000 0.947 5110 D CB 0.505 41.287 40.800 -0.030 0.000 1.048 5110 D HN 0.281 nan 8.370 nan 0.000 0.512 5111 I N 2.108 122.653 120.570 -0.042 0.000 2.208 5111 I HA -0.232 3.938 4.170 0.000 0.000 0.245 5111 I C 1.544 177.641 176.117 -0.033 0.000 1.097 5111 I CA 1.130 62.404 61.300 -0.044 0.000 1.363 5111 I CB -0.589 37.385 38.000 -0.044 0.000 1.051 5111 I HN 0.354 nan 8.210 nan 0.000 0.413 5112 D N 0.541 120.925 120.400 -0.027 0.000 2.219 5112 D HA -0.128 4.512 4.640 0.000 0.000 0.205 5112 D C 1.625 177.915 176.300 -0.017 0.000 0.970 5112 D CA 0.897 54.885 54.000 -0.021 0.000 0.851 5112 D CB -0.185 40.604 40.800 -0.018 0.000 0.943 5112 D HN 0.297 nan 8.370 nan 0.000 0.488 5113 N N -0.048 118.641 118.700 -0.018 0.000 2.205 5113 N HA 0.035 4.775 4.740 0.000 0.000 0.201 5113 N C -0.112 175.392 175.510 -0.009 0.000 1.128 5113 N CA -0.142 52.900 53.050 -0.014 0.000 0.867 5113 N CB 0.854 39.332 38.487 -0.015 0.000 0.996 5113 N HN 0.140 nan 8.380 nan 0.000 0.503 5114 L N 2.166 123.382 121.223 -0.011 0.000 2.265 5114 L HA 0.374 4.714 4.340 0.000 0.000 0.288 5114 L C -0.370 176.504 176.870 0.007 0.000 1.058 5114 L CA -0.219 54.621 54.840 0.000 0.000 0.809 5114 L CB 0.438 42.491 42.059 -0.010 0.000 1.179 5114 L HN -0.051 nan 8.230 nan 0.000 0.429 5115 L N 5.281 126.518 121.223 0.022 0.000 2.416 5115 L HA 0.185 4.525 4.340 0.000 0.000 0.272 5115 L C -0.167 176.737 176.870 0.056 0.000 1.161 5115 L CA 0.031 54.886 54.840 0.026 0.000 0.845 5115 L CB 1.243 43.314 42.059 0.019 0.000 1.119 5115 L HN 0.756 nan 8.230 nan 0.000 0.464 5116 C N 3.465 122.790 119.300 0.042 0.000 2.481 5116 C HA 0.614 5.074 4.460 0.000 0.000 0.324 5116 C C -0.176 174.839 174.990 0.042 0.000 1.170 5116 C CA -0.459 58.596 59.018 0.062 0.000 1.361 5116 C CB 1.356 29.098 27.740 0.003 0.000 1.977 5116 C HN 0.804 nan 8.230 nan 0.000 0.459 5117 S N 4.295 120.029 115.700 0.057 0.000 2.502 5117 S HA 0.541 5.011 4.470 0.000 0.000 0.304 5117 S C -0.900 173.687 174.600 -0.021 0.000 1.097 5117 S CA -0.270 57.939 58.200 0.015 0.000 1.045 5117 S CB 1.212 64.414 63.200 0.004 0.000 1.019 5117 S HN 0.868 nan 8.310 nan 0.000 0.481 5118 Q N 4.758 124.526 119.800 -0.053 0.000 2.636 5118 Q HA 0.329 4.669 4.340 0.000 0.000 0.233 5118 Q C -2.298 173.677 176.000 -0.042 0.000 1.143 5118 Q CA -1.895 53.800 55.803 -0.180 0.000 0.969 5118 Q CB 1.111 29.762 28.738 -0.145 0.000 1.185 5118 Q HN 0.547 nan 8.270 nan 0.000 0.546 5119 P HA 0.052 nan 4.420 nan 0.000 0.278 5119 P C -0.277 177.102 177.300 0.132 0.000 1.238 5119 P CA -0.180 62.948 63.100 0.047 0.000 0.794 5119 P CB 1.480 33.194 31.700 0.023 0.000 0.955 5120 D N 0.190 120.656 120.400 0.109 0.000 2.085 5120 D HA -0.050 4.590 4.640 0.000 0.000 0.199 5120 D C 0.994 177.347 176.300 0.089 0.000 0.981 5120 D CA 1.661 55.726 54.000 0.108 0.000 0.834 5120 D CB -0.447 40.390 40.800 0.062 0.000 0.992 5120 D HN 0.508 nan 8.370 nan 0.000 0.457 5121 T N -2.546 112.044 114.554 0.060 0.000 2.929 5121 T HA 0.505 4.855 4.350 0.000 0.000 0.284 5121 T C 1.363 176.090 174.700 0.046 0.000 1.014 5121 T CA -0.355 61.773 62.100 0.046 0.000 1.051 5121 T CB 2.025 70.910 68.868 0.029 0.000 1.028 5121 T HN 0.004 nan 8.240 nan 0.000 0.485 5122 G N 0.931 109.756 108.800 0.042 0.000 2.418 5122 G HA2 -0.115 3.845 3.960 0.000 0.000 0.217 5122 G HA3 -0.115 3.845 3.960 0.000 0.000 0.217 5122 G C 1.140 176.060 174.900 0.033 0.000 1.158 5122 G CA 0.712 45.837 45.100 0.042 0.000 0.771 5122 G HN 0.815 nan 8.290 nan 0.000 0.545 5123 E N 0.095 120.309 120.200 0.023 0.000 2.048 5123 E HA -0.218 4.133 4.350 0.000 0.000 0.202 5123 E C 2.411 179.022 176.600 0.019 0.000 1.021 5123 E CA 1.620 58.030 56.400 0.016 0.000 0.825 5123 E CB -0.346 29.358 29.700 0.008 0.000 0.756 5123 E HN 0.607 nan 8.360 nan 0.000 0.454 5124 Q N 0.057 119.869 119.800 0.020 0.000 2.029 5124 Q HA -0.319 4.021 4.340 0.000 0.000 0.209 5124 Q C 2.178 178.188 176.000 0.017 0.000 0.999 5124 Q CA 2.160 57.974 55.803 0.019 0.000 0.857 5124 Q CB -0.345 28.408 28.738 0.025 0.000 0.926 5124 Q HN 0.329 nan 8.270 nan 0.000 0.415 5125 A N 0.297 123.130 122.820 0.020 0.000 1.903 5125 A HA -0.236 4.084 4.320 0.000 0.000 0.219 5125 A C 2.045 179.634 177.584 0.007 0.000 1.191 5125 A CA 1.945 53.988 52.037 0.010 0.000 0.638 5125 A CB -0.848 18.165 19.000 0.021 0.000 0.823 5125 A HN 0.476 nan 8.150 nan 0.000 0.451 5126 L N -1.421 119.818 121.223 0.027 0.000 2.068 5126 L HA -0.077 4.263 4.340 0.000 0.000 0.204 5126 L C 2.614 179.496 176.870 0.019 0.000 1.076 5126 L CA 1.064 55.927 54.840 0.037 0.000 0.753 5126 L CB -0.511 41.581 42.059 0.056 0.000 0.910 5126 L HN 0.278 nan 8.230 nan 0.000 0.439 5127 E N 0.504 120.714 120.200 0.016 0.000 2.171 5127 E HA -0.232 4.118 4.350 0.000 0.000 0.197 5127 E C 2.190 178.792 176.600 0.005 0.000 0.997 5127 E CA 1.390 57.797 56.400 0.012 0.000 0.810 5127 E CB -0.140 29.568 29.700 0.014 0.000 0.738 5127 E HN 0.513 nan 8.360 nan 0.000 0.467 5128 I N -0.314 120.256 120.570 -0.000 0.000 2.233 5128 I HA -0.300 3.870 4.170 0.000 0.000 0.243 5128 I C 2.625 178.730 176.117 -0.020 0.000 1.093 5128 I CA 0.570 61.865 61.300 -0.009 0.000 1.380 5128 I CB -0.292 37.700 38.000 -0.013 0.000 1.067 5128 I HN 0.123 nan 8.210 nan 0.000 0.413 5129 C N 0.531 119.815 119.300 -0.028 0.000 2.413 5129 C HA -0.234 4.226 4.460 0.000 0.000 0.276 5129 C C 2.584 177.561 174.990 -0.022 0.000 1.236 5129 C CA 1.386 60.379 59.018 -0.042 0.000 1.735 5129 C CB -0.985 26.729 27.740 -0.043 0.000 2.031 5129 C HN 0.543 nan 8.230 nan 0.000 0.474 5130 D N 0.434 120.831 120.400 -0.005 0.000 2.106 5130 D HA -0.125 4.515 4.640 0.000 0.000 0.191 5130 D C 2.181 178.477 176.300 -0.006 0.000 0.997 5130 D CA 1.933 55.932 54.000 -0.002 0.000 0.834 5130 D CB -0.242 40.562 40.800 0.007 0.000 0.956 5130 D HN 0.420 nan 8.370 nan 0.000 0.448 5131 A N -0.310 122.507 122.820 -0.005 0.000 2.015 5131 A HA -0.052 4.268 4.320 0.000 0.000 0.219 5131 A C 2.361 179.940 177.584 -0.009 0.000 1.163 5131 A CA 0.822 52.857 52.037 -0.004 0.000 0.646 5131 A CB -0.582 18.418 19.000 -0.001 0.000 0.806 5131 A HN 0.349 nan 8.150 nan 0.000 0.448 5132 L N -1.223 119.991 121.223 -0.015 0.000 2.179 5132 L HA -0.077 4.263 4.340 0.000 0.000 0.208 5132 L C 3.024 179.882 176.870 -0.021 0.000 1.096 5132 L CA 0.781 55.609 54.840 -0.019 0.000 0.779 5132 L CB -0.510 41.532 42.059 -0.029 0.000 0.922 5132 L HN 0.425 nan 8.230 nan 0.000 0.443 5133 A N 0.181 122.987 122.820 -0.022 0.000 1.841 5133 A HA -0.176 4.144 4.320 0.000 0.000 0.214 5133 A C 2.374 179.948 177.584 -0.017 0.000 1.195 5133 A CA 1.170 53.194 52.037 -0.023 0.000 0.611 5133 A CB -0.531 18.454 19.000 -0.024 0.000 0.835 5133 A HN 0.216 nan 8.150 nan 0.000 0.443 5134 R N 0.228 120.719 120.500 -0.014 0.000 2.154 5134 R HA -0.175 4.165 4.340 0.000 0.000 0.248 5134 R C 2.557 178.854 176.300 -0.005 0.000 1.155 5134 R CA 1.815 57.910 56.100 -0.009 0.000 0.979 5134 R CB -0.391 29.907 30.300 -0.004 0.000 0.869 5134 R HN 0.760 nan 8.270 nan 0.000 0.452 5135 S N -1.173 114.523 115.700 -0.006 0.000 2.406 5135 S HA -0.033 4.437 4.470 0.000 0.000 0.228 5135 S C 1.606 176.203 174.600 -0.004 0.000 1.020 5135 S CA 0.973 59.170 58.200 -0.004 0.000 0.965 5135 S CB 0.012 63.209 63.200 -0.005 0.000 0.798 5135 S HN 0.519 nan 8.310 nan 0.000 0.488 5136 G N 0.744 109.540 108.800 -0.007 0.000 2.155 5136 G HA2 -0.226 3.734 3.960 0.000 0.000 0.257 5136 G HA3 -0.226 3.734 3.960 0.000 0.000 0.257 5136 G C 0.839 175.734 174.900 -0.007 0.000 0.983 5136 G CA 0.412 45.508 45.100 -0.007 0.000 0.676 5136 G HN 1.281 nan 8.290 nan 0.000 0.528 5137 A N -1.072 121.743 122.820 -0.008 0.000 1.984 5137 A HA 0.613 4.933 4.320 0.000 0.000 0.214 5137 A C 1.278 178.856 177.584 -0.010 0.000 1.173 5137 A CA 1.443 53.475 52.037 -0.007 0.000 0.673 5137 A CB 0.315 19.312 19.000 -0.006 0.000 0.830 5137 A HN 1.029 nan 8.150 nan 0.000 0.453 5138 V N 1.090 120.996 119.914 -0.013 0.000 2.509 5138 V HA 0.178 4.298 4.120 0.000 0.000 0.284 5138 V C 0.415 176.498 176.094 -0.018 0.000 1.047 5138 V CA -0.353 61.937 62.300 -0.017 0.000 0.952 5138 V CB 1.427 33.237 31.823 -0.023 0.000 0.988 5138 V HN 0.369 nan 8.190 nan 0.000 0.469 5139 D N 1.705 122.094 120.400 -0.018 0.000 2.262 5139 D HA 0.077 4.717 4.640 0.000 0.000 0.212 5139 D C 0.232 176.517 176.300 -0.025 0.000 0.964 5139 D CA 1.121 55.111 54.000 -0.018 0.000 0.875 5139 D CB 1.200 41.991 40.800 -0.015 0.000 0.996 5139 D HN 0.342 nan 8.370 nan 0.000 0.497 5140 V N 1.443 121.339 119.914 -0.030 0.000 2.612 5140 V HA 0.372 4.492 4.120 0.000 0.000 0.301 5140 V C -1.332 174.724 176.094 -0.063 0.000 1.059 5140 V CA -0.685 61.589 62.300 -0.045 0.000 0.886 5140 V CB 1.422 33.223 31.823 -0.037 0.000 1.007 5140 V HN -0.126 nan 8.190 nan 0.000 0.426 5141 I N 6.606 127.115 120.570 -0.101 0.000 2.460 5141 I HA 0.642 4.812 4.170 0.000 0.000 0.298 5141 I C -0.358 175.611 176.117 -0.248 0.000 0.989 5141 I CA -0.878 60.329 61.300 -0.156 0.000 1.173 5141 I CB 1.890 39.788 38.000 -0.169 0.000 1.338 5141 I HN 0.456 nan 8.210 nan 0.000 0.456 5142 V N 6.908 126.623 119.914 -0.331 0.000 2.735 5142 V HA 0.567 4.687 4.120 0.000 0.000 0.310 5142 V C -0.875 174.824 176.094 -0.659 0.000 1.061 5142 V CA -0.477 61.535 62.300 -0.480 0.000 0.913 5142 V CB 2.396 33.951 31.823 -0.447 0.000 1.005 5142 V HN 0.428 nan 8.190 nan 0.000 0.428 5143 V N 5.152 124.682 119.914 -0.642 0.000 2.349 5143 V HA 0.394 4.515 4.120 0.000 0.000 0.284 5143 V C -0.456 175.426 176.094 -0.354 0.000 1.014 5143 V CA -0.610 61.374 62.300 -0.527 0.000 0.826 5143 V CB 1.457 32.944 31.823 -0.561 0.000 1.009 5143 V HN 0.904 nan 8.190 nan 0.000 0.431 5144 D N 3.614 123.799 120.400 -0.359 0.000 2.359 5144 D HA 0.300 4.940 4.640 0.000 0.000 0.250 5144 D C 0.104 176.403 176.300 -0.002 0.000 1.264 5144 D CA 0.853 54.783 54.000 -0.117 0.000 0.911 5144 D CB 0.343 41.199 40.800 0.093 0.000 1.056 5144 D HN 0.675 nan 8.370 nan 0.000 0.499 5145 S N 1.069 116.792 115.700 0.038 0.000 3.600 5145 S HA -0.149 4.321 4.470 0.000 0.000 0.695 5145 S C 1.183 175.842 174.600 0.098 0.000 0.535 5145 S CA 0.317 58.565 58.200 0.079 0.000 1.453 5145 S CB -1.263 61.984 63.200 0.079 0.000 0.928 5145 S HN 0.509 nan 8.310 nan 0.000 1.029 5146 V N 1.698 121.698 119.914 0.143 0.000 2.594 5146 V HA -0.057 4.063 4.120 0.000 0.000 0.253 5146 V C 2.263 178.402 176.094 0.076 0.000 1.069 5146 V CA 2.344 64.729 62.300 0.141 0.000 1.082 5146 V CB -0.940 30.953 31.823 0.116 0.000 0.680 5146 V HN 1.487 nan 8.190 nan 0.000 0.469 5147 A N 0.025 122.884 122.820 0.065 0.000 2.234 5147 A HA 0.288 4.608 4.320 0.000 0.000 0.216 5147 A C 2.138 179.752 177.584 0.051 0.000 1.167 5147 A CA 1.748 53.812 52.037 0.046 0.000 0.698 5147 A CB -0.682 18.344 19.000 0.043 0.000 0.779 5147 A HN 1.277 nan 8.150 nan 0.000 0.475 5148 A N -1.469 121.391 122.820 0.066 0.000 2.508 5148 A HA 0.514 4.834 4.320 0.000 0.000 0.257 5148 A C 0.240 177.871 177.584 0.077 0.000 1.226 5148 A CA -0.291 51.792 52.037 0.077 0.000 0.947 5148 A CB 0.062 19.123 19.000 0.101 0.000 1.079 5148 A HN 0.226 nan 8.150 nan 0.000 0.531 5149 L N 2.674 123.937 121.223 0.067 0.000 2.376 5149 L HA 0.171 4.511 4.340 0.000 0.000 0.250 5149 L C 0.142 177.039 176.870 0.044 0.000 1.335 5149 L CA 0.642 55.519 54.840 0.061 0.000 1.214 5149 L CB -0.861 41.240 42.059 0.069 0.000 1.395 5149 L HN 0.141 nan 8.230 nan 0.000 0.424 5150 T N 2.259 116.841 114.554 0.046 0.000 2.834 5150 T HA 0.243 4.593 4.350 0.000 0.000 0.298 5150 T C -2.203 172.512 174.700 0.025 0.000 0.966 5150 T CA -1.143 60.976 62.100 0.032 0.000 1.141 5150 T CB 0.452 69.340 68.868 0.032 0.000 0.905 5150 T HN 0.143 nan 8.240 nan 0.000 0.535 5151 P HA 0.160 nan 4.420 nan 0.000 0.269 5151 P C 0.972 178.277 177.300 0.007 0.000 1.215 5151 P CA -0.557 62.548 63.100 0.007 0.000 0.780 5151 P CB 0.795 32.494 31.700 -0.000 0.000 0.898 5152 K N 2.557 122.960 120.400 0.004 0.000 1.987 5152 K HA -0.268 4.052 4.320 0.000 0.000 0.216 5152 K C 1.912 178.513 176.600 0.001 0.000 1.051 5152 K CA 2.226 58.515 56.287 0.004 0.000 0.942 5152 K CB -0.889 31.610 32.500 -0.000 0.000 0.722 5152 K HN 0.465 nan 8.250 nan 0.000 0.444 5153 A N 0.991 123.809 122.820 -0.003 0.000 1.958 5153 A HA -0.298 4.022 4.320 0.000 0.000 0.221 5153 A C 2.004 179.587 177.584 -0.002 0.000 1.178 5153 A CA 2.257 54.292 52.037 -0.004 0.000 0.642 5153 A CB -0.687 18.309 19.000 -0.007 0.000 0.816 5153 A HN 0.641 nan 8.150 nan 0.000 0.453 5154 E N -0.529 119.671 120.200 -0.000 0.000 2.106 5154 E HA -0.122 4.229 4.350 0.000 0.000 0.192 5154 E C 1.893 178.494 176.600 0.002 0.000 0.984 5154 E CA 0.881 57.282 56.400 0.001 0.000 0.806 5154 E CB -0.178 29.524 29.700 0.003 0.000 0.750 5154 E HN 0.670 nan 8.360 nan 0.000 0.458 5155 I N 1.076 121.648 120.570 0.003 0.000 2.127 5155 I HA -0.229 3.941 4.170 0.000 0.000 0.241 5155 I C 1.206 177.323 176.117 -0.000 0.000 1.075 5155 I CA 1.161 62.462 61.300 0.002 0.000 1.334 5155 I CB -0.210 37.792 38.000 0.004 0.000 1.040 5155 I HN 0.205 nan 8.210 nan 0.000 0.405 5165 G N 1.503 110.298 108.800 -0.008 0.000 2.465 5165 G HA2 -0.261 3.699 3.960 0.000 0.000 0.324 5165 G HA3 -0.261 3.699 3.960 0.000 0.000 0.324 5165 G C 0.819 175.711 174.900 -0.013 0.000 0.847 5165 G CA 1.283 46.376 45.100 -0.011 0.000 0.858 5165 G HN 0.775 nan 8.290 nan 0.000 0.505 5166 L N -0.882 120.334 121.223 -0.012 0.000 2.156 5166 L HA 0.122 4.462 4.340 0.000 0.000 0.208 5166 L C 3.101 179.961 176.870 -0.016 0.000 1.095 5166 L CA 1.584 56.416 54.840 -0.014 0.000 0.770 5166 L CB -0.350 41.703 42.059 -0.011 0.000 0.914 5166 L HN 0.387 nan 8.230 nan 0.000 0.439 5167 A N -0.012 122.801 122.820 -0.013 0.000 1.873 5167 A HA -0.297 4.023 4.320 0.000 0.000 0.218 5167 A C 2.433 180.001 177.584 -0.026 0.000 1.193 5167 A CA 2.105 54.133 52.037 -0.014 0.000 0.629 5167 A CB -0.995 17.999 19.000 -0.010 0.000 0.826 5167 A HN 0.528 nan 8.150 nan 0.000 0.447 5168 A N 0.488 123.292 122.820 -0.027 0.000 1.858 5168 A HA -0.185 4.135 4.320 0.000 0.000 0.216 5168 A C 2.244 179.803 177.584 -0.043 0.000 1.190 5168 A CA 1.961 53.977 52.037 -0.036 0.000 0.617 5168 A CB -0.603 18.381 19.000 -0.026 0.000 0.827 5168 A HN 0.718 nan 8.150 nan 0.000 0.443 5169 R N -0.581 119.899 120.500 -0.034 0.000 2.193 5169 R HA -0.034 4.306 4.340 0.000 0.000 0.229 5169 R C 1.987 178.262 176.300 -0.041 0.000 1.110 5169 R CA 1.616 57.694 56.100 -0.036 0.000 0.988 5169 R CB -0.478 29.805 30.300 -0.028 0.000 0.871 5169 R HN 0.562 nan 8.270 nan 0.000 0.458 5170 M N 0.155 119.731 119.600 -0.040 0.000 2.123 5170 M HA -0.074 4.406 4.480 0.000 0.000 0.263 5170 M C 1.922 178.185 176.300 -0.060 0.000 1.069 5170 M CA 1.341 56.617 55.300 -0.039 0.000 1.133 5170 M CB 0.036 32.620 32.600 -0.026 0.000 1.356 5170 M HN 0.228 nan 8.290 nan 0.000 0.415 5171 M N -0.451 119.102 119.600 -0.077 0.000 2.080 5171 M HA -0.193 4.287 4.480 0.000 0.000 0.260 5171 M C 2.419 178.615 176.300 -0.174 0.000 1.068 5171 M CA 1.734 56.955 55.300 -0.132 0.000 1.109 5171 M CB -1.360 31.153 32.600 -0.145 0.000 1.342 5171 M HN 0.361 nan 8.290 nan 0.000 0.405 5172 S N -0.365 115.254 115.700 -0.135 0.000 2.419 5172 S HA -0.177 4.293 4.470 0.000 0.000 0.233 5172 S C 1.849 176.362 174.600 -0.145 0.000 1.016 5172 S CA 1.249 59.358 58.200 -0.151 0.000 0.974 5172 S CB -0.129 63.022 63.200 -0.080 0.000 0.786 5172 S HN 0.516 nan 8.310 nan 0.000 0.492 5173 Q N -0.246 119.498 119.800 -0.094 0.000 2.137 5173 Q HA 0.044 4.384 4.340 0.000 0.000 0.198 5173 Q C 2.188 178.142 176.000 -0.076 0.000 0.960 5173 Q CA 1.036 56.807 55.803 -0.055 0.000 0.847 5173 Q CB -0.285 28.442 28.738 -0.018 0.000 0.915 5173 Q HN 0.659 nan 8.270 nan 0.000 0.448 5174 A N 0.844 123.602 122.820 -0.103 0.000 1.855 5174 A HA -0.169 4.151 4.320 0.000 0.000 0.215 5174 A C 2.029 179.519 177.584 -0.157 0.000 1.191 5174 A CA 1.249 53.235 52.037 -0.085 0.000 0.613 5174 A CB -0.424 18.544 19.000 -0.053 0.000 0.829 5174 A HN 0.325 nan 8.150 nan 0.000 0.442 5175 M N -0.639 118.757 119.600 -0.341 0.000 2.082 5175 M HA -0.186 4.294 4.480 0.000 0.000 0.258 5175 M C 2.160 178.162 176.300 -0.496 0.000 1.071 5175 M CA 1.909 56.820 55.300 -0.650 0.000 1.103 5175 M CB -1.458 30.302 32.600 -1.401 0.000 1.307 5175 M HN 0.499 nan 8.290 nan 0.000 0.409 5176 R N 0.275 120.542 120.500 -0.387 0.000 2.159 5176 R HA -0.248 4.093 4.340 0.000 0.000 0.249 5176 R C 2.240 178.570 176.300 0.049 0.000 1.136 5176 R CA 2.363 58.461 56.100 -0.003 0.000 0.951 5176 R CB -0.146 30.161 30.300 0.012 0.000 0.876 5176 R HN 0.412 nan 8.270 nan 0.000 0.440 5177 K N -0.138 120.257 120.400 -0.007 0.000 2.031 5177 K HA -0.088 4.232 4.320 0.000 0.000 0.205 5177 K C 2.210 178.813 176.600 0.005 0.000 1.049 5177 K CA 1.266 57.559 56.287 0.010 0.000 0.939 5177 K CB -0.121 32.382 32.500 0.006 0.000 0.717 5177 K HN 0.172 nan 8.250 nan 0.000 0.438 5178 L N 0.664 121.886 121.223 -0.003 0.000 2.027 5178 L HA -0.165 4.176 4.340 0.000 0.000 0.206 5178 L C 2.592 179.462 176.870 -0.001 0.000 1.074 5178 L CA 1.059 55.904 54.840 0.008 0.000 0.745 5178 L CB -0.572 41.513 42.059 0.043 0.000 0.898 5178 L HN 0.214 nan 8.230 nan 0.000 0.433 5179 A N 0.373 123.228 122.820 0.059 0.000 1.927 5179 A HA -0.221 4.099 4.320 0.000 0.000 0.220 5179 A C 2.368 179.777 177.584 -0.291 0.000 1.185 5179 A CA 2.082 54.155 52.037 0.060 0.000 0.639 5179 A CB -1.419 17.764 19.000 0.304 0.000 0.820 5179 A HN 0.476 nan 8.150 nan 0.000 0.451 5180 G N -0.271 108.276 108.800 -0.421 0.000 2.480 5180 G HA2 -0.301 3.659 3.960 0.000 0.000 0.216 5180 G HA3 -0.301 3.659 3.960 0.000 0.000 0.216 5180 G C 1.385 176.023 174.900 -0.435 0.000 1.200 5180 G CA 1.062 45.654 45.100 -0.846 0.000 0.782 5180 G HN 0.730 nan 8.290 nan 0.000 0.554 5181 N N 0.009 118.596 118.700 -0.188 0.000 2.443 5181 N HA 0.027 4.767 4.740 0.000 0.000 0.184 5181 N C 2.109 177.566 175.510 -0.088 0.000 1.037 5181 N CA 0.137 53.129 53.050 -0.097 0.000 0.896 5181 N CB -0.055 38.403 38.487 -0.048 0.000 0.959 5181 N HN 0.270 nan 8.380 nan 0.000 0.442 5182 L N 0.410 121.568 121.223 -0.108 0.000 2.102 5182 L HA -0.055 4.285 4.340 0.000 0.000 0.202 5182 L C 2.408 179.247 176.870 -0.050 0.000 1.076 5182 L CA 0.830 55.635 54.840 -0.057 0.000 0.761 5182 L CB -0.154 41.893 42.059 -0.020 0.000 0.921 5182 L HN 0.003 nan 8.230 nan 0.000 0.444 5183 K N 0.630 120.976 120.400 -0.091 0.000 2.057 5183 K HA -0.164 4.156 4.320 0.000 0.000 0.206 5183 K C 1.948 178.563 176.600 0.024 0.000 1.050 5183 K CA 1.526 57.818 56.287 0.008 0.000 0.935 5183 K CB -0.128 32.462 32.500 0.149 0.000 0.715 5183 K HN 0.183 nan 8.250 nan 0.000 0.439 5184 Q N -0.524 119.273 119.800 -0.005 0.000 2.482 5184 Q HA 0.094 4.434 4.340 0.000 0.000 0.209 5184 Q C 0.460 176.464 176.000 0.006 0.000 0.961 5184 Q CA 0.712 56.528 55.803 0.021 0.000 0.945 5184 Q CB 0.379 29.134 28.738 0.029 0.000 1.012 5184 Q HN 0.173 nan 8.270 nan 0.000 0.515 5185 S N -0.301 115.395 115.700 -0.007 0.000 2.603 5185 S HA 0.069 4.539 4.470 0.000 0.000 0.232 5185 S C 0.202 174.800 174.600 -0.003 0.000 1.016 5185 S CA -0.324 57.872 58.200 -0.006 0.000 0.976 5185 S CB 0.361 63.552 63.200 -0.015 0.000 0.921 5185 S HN 0.422 nan 8.310 nan 0.000 0.516 5186 N N 2.352 121.054 118.700 0.002 0.000 2.701 5186 N HA -0.145 4.595 4.740 0.000 0.000 0.250 5186 N C -1.043 174.465 175.510 -0.003 0.000 1.046 5186 N CA 0.916 53.969 53.050 0.005 0.000 0.733 5186 N CB -1.243 37.248 38.487 0.007 0.000 0.973 5186 N HN 0.269 nan 8.380 nan 0.000 0.541 5187 T N 0.900 115.449 114.554 -0.008 0.000 2.728 5187 T HA 0.361 4.711 4.350 0.000 0.000 0.296 5187 T C 0.225 174.916 174.700 -0.014 0.000 0.940 5187 T CA -0.632 61.459 62.100 -0.016 0.000 1.013 5187 T CB 1.015 69.870 68.868 -0.023 0.000 0.912 5187 T HN 0.276 nan 8.240 nan 0.000 0.484 5188 L N 5.245 126.456 121.223 -0.019 0.000 2.319 5188 L HA 0.521 4.862 4.340 0.000 0.000 0.280 5188 L C -0.806 176.039 176.870 -0.042 0.000 1.099 5188 L CA -0.173 54.656 54.840 -0.018 0.000 0.828 5188 L CB 0.244 42.291 42.059 -0.019 0.000 1.150 5188 L HN 0.608 nan 8.230 nan 0.000 0.442 5189 L N 6.697 127.903 121.223 -0.029 0.000 2.305 5189 L HA 0.531 4.871 4.340 0.000 0.000 0.284 5189 L C -0.784 176.041 176.870 -0.074 0.000 1.013 5189 L CA -0.422 54.366 54.840 -0.087 0.000 0.819 5189 L CB 1.200 43.235 42.059 -0.041 0.000 1.227 5189 L HN 0.671 nan 8.230 nan 0.000 0.417 5190 I N 4.202 124.660 120.570 -0.186 0.000 2.377 5190 I HA 0.306 4.476 4.170 0.000 0.000 0.293 5190 I C -0.866 175.080 176.117 -0.286 0.000 0.987 5190 I CA -0.309 60.913 61.300 -0.131 0.000 1.185 5190 I CB 1.423 39.356 38.000 -0.112 0.000 1.341 5190 I HN 0.378 nan 8.210 nan 0.000 0.455 5191 F N 6.290 126.208 119.950 -0.054 0.000 2.427 5191 F HA 0.510 5.037 4.527 0.000 0.000 0.346 5191 F C 0.268 176.051 175.800 -0.030 0.000 1.120 5191 F CA -0.488 57.483 58.000 -0.049 0.000 1.033 5191 F CB 1.268 40.256 39.000 -0.020 0.000 1.126 5191 F HN 0.190 nan 8.300 nan 0.000 0.462 5192 I N 3.263 123.895 120.570 0.104 0.000 2.440 5192 I HA 0.284 4.454 4.170 0.000 0.000 0.294 5192 I C -0.240 175.968 176.117 0.150 0.000 0.995 5192 I CA -0.192 61.168 61.300 0.101 0.000 1.306 5192 I CB 1.321 39.349 38.000 0.046 0.000 1.407 5192 I HN 0.657 nan 8.210 nan 0.000 0.501 5193 N N 3.519 122.315 118.700 0.159 0.000 2.525 5193 N HA 0.392 5.132 4.740 0.000 0.000 0.270 5193 N C -1.472 174.116 175.510 0.130 0.000 1.321 5193 N CA -0.711 52.423 53.050 0.140 0.000 0.797 5193 N CB 1.945 40.514 38.487 0.137 0.000 1.529 5193 N HN 0.555 nan 8.380 nan 0.000 0.491 5194 Q N 0.756 120.602 119.800 0.077 0.000 2.195 5194 Q HA 0.517 4.857 4.340 0.000 0.000 0.250 5194 Q C -0.580 175.424 176.000 0.007 0.000 0.988 5194 Q CA -0.723 55.114 55.803 0.057 0.000 0.911 5194 Q CB 2.086 30.849 28.738 0.043 0.000 1.258 5194 Q HN 0.466 nan 8.270 nan 0.000 0.475 5195 I N 1.460 122.031 120.570 0.001 0.000 2.396 5195 I HA 0.373 4.543 4.170 0.000 0.000 0.292 5195 I C 0.144 176.238 176.117 -0.039 0.000 0.999 5195 I CA -0.529 60.741 61.300 -0.050 0.000 1.310 5195 I CB 0.589 38.576 38.000 -0.023 0.000 1.404 5195 I HN 0.391 nan 8.210 nan 0.000 0.496 5206 P HA 0.168 nan 4.420 nan 0.000 0.256 5206 P C -0.611 176.668 177.300 -0.034 0.000 1.335 5206 P CA 0.353 63.441 63.100 -0.020 0.000 0.808 5206 P CB 0.203 31.894 31.700 -0.014 0.000 1.305 5207 E N 0.247 120.423 120.200 -0.041 0.000 2.313 5207 E HA 0.320 4.670 4.350 0.000 0.000 0.276 5207 E C -0.148 176.379 176.600 -0.122 0.000 1.031 5207 E CA 0.311 56.666 56.400 -0.075 0.000 0.857 5207 E CB 0.979 30.639 29.700 -0.067 0.000 1.040 5207 E HN 0.097 nan 8.360 nan 0.000 0.408 5208 T N 0.738 115.198 114.554 -0.156 0.000 2.787 5208 T HA 0.311 4.661 4.350 0.000 0.000 0.297 5208 T C -0.314 174.241 174.700 -0.240 0.000 1.221 5208 T CA -0.675 61.314 62.100 -0.184 0.000 1.006 5208 T CB 1.911 70.716 68.868 -0.104 0.000 1.328 5208 T HN 0.319 nan 8.240 nan 0.000 0.509 5209 T N 0.915 115.339 114.554 -0.218 0.000 2.952 5209 T HA 0.637 4.987 4.350 0.000 0.000 0.286 5209 T C -0.158 174.492 174.700 -0.083 0.000 1.024 5209 T CA -0.337 61.658 62.100 -0.175 0.000 1.029 5209 T CB 0.950 69.717 68.868 -0.168 0.000 1.094 5209 T HN 0.642 nan 8.240 nan 0.000 0.515 5210 T N 0.844 115.369 114.554 -0.048 0.000 2.847 5210 T HA 0.533 4.883 4.350 0.000 0.000 0.279 5210 T C 1.077 175.757 174.700 -0.032 0.000 0.984 5210 T CA 0.313 62.397 62.100 -0.028 0.000 0.988 5210 T CB 0.648 69.512 68.868 -0.007 0.000 1.040 5210 T HN 1.165 nan 8.240 nan 0.000 0.528 5211 G N 0.307 109.088 108.800 -0.030 0.000 2.198 5211 G HA2 0.181 4.141 3.960 0.000 0.000 0.257 5211 G HA3 0.181 4.141 3.960 0.000 0.000 0.257 5211 G C 0.670 175.541 174.900 -0.048 0.000 1.042 5211 G CA 0.159 45.231 45.100 -0.046 0.000 0.791 5211 G HN 1.655 nan 8.290 nan 0.000 0.502 5212 G N -0.751 108.033 108.800 -0.028 0.000 2.914 5212 G HA2 -0.307 3.653 3.960 0.000 0.000 0.254 5212 G HA3 -0.307 3.653 3.960 0.000 0.000 0.254 5212 G C 0.853 175.764 174.900 0.019 0.000 1.449 5212 G CA 0.444 45.539 45.100 -0.008 0.000 0.925 5212 G HN 0.877 nan 8.290 nan 0.000 0.555 5213 N N 0.461 119.203 118.700 0.070 0.000 2.364 5213 N HA -0.104 4.636 4.740 0.000 0.000 0.183 5213 N C 2.779 178.448 175.510 0.264 0.000 1.022 5213 N CA 1.289 54.446 53.050 0.179 0.000 0.883 5213 N CB -0.202 38.454 38.487 0.283 0.000 0.965 5213 N HN 0.853 nan 8.380 nan 0.000 0.438 5214 A N 2.119 125.018 122.820 0.132 0.000 1.893 5214 A HA -0.256 4.064 4.320 0.000 0.000 0.222 5214 A C 2.103 179.783 177.584 0.159 0.000 1.309 5214 A CA 1.575 53.668 52.037 0.095 0.000 0.681 5214 A CB -1.160 17.799 19.000 -0.067 0.000 0.842 5214 A HN 0.258 nan 8.150 nan 0.000 0.468 5215 L N -0.062 121.162 121.223 0.002 0.000 1.963 5215 L HA -0.245 4.095 4.340 0.000 0.000 0.220 5215 L C 2.359 179.305 176.870 0.127 0.000 1.076 5215 L CA 2.706 57.518 54.840 -0.047 0.000 0.772 5215 L CB -1.044 40.915 42.059 -0.166 0.000 0.892 5215 L HN 0.529 nan 8.230 nan 0.000 0.435 5216 K N -1.392 119.079 120.400 0.118 0.000 2.097 5216 K HA -0.282 4.038 4.320 0.000 0.000 0.214 5216 K C 1.999 178.613 176.600 0.023 0.000 1.052 5216 K CA 2.334 58.645 56.287 0.040 0.000 0.932 5216 K CB -0.567 31.900 32.500 -0.056 0.000 0.716 5216 K HN 0.259 nan 8.250 nan 0.000 0.455 5217 F N -0.771 119.240 119.950 0.102 0.000 2.128 5217 F HA -0.095 4.432 4.527 0.000 0.000 0.295 5217 F C 2.244 178.079 175.800 0.058 0.000 1.100 5217 F CA 1.084 59.127 58.000 0.072 0.000 1.260 5217 F CB -0.678 38.362 39.000 0.067 0.000 1.009 5217 F HN -0.005 nan 8.300 nan 0.000 0.476 5218 Y N 0.356 120.785 120.300 0.216 0.000 2.293 5218 Y HA 0.052 4.602 4.550 0.000 0.000 0.291 5218 Y C 1.767 177.719 175.900 0.086 0.000 1.137 5218 Y CA 0.093 58.270 58.100 0.127 0.000 1.202 5218 Y CB -0.804 37.703 38.460 0.078 0.000 0.990 5218 Y HN -0.074 nan 8.280 nan 0.000 0.537 5219 A N -0.015 122.932 122.820 0.211 0.000 2.567 5219 A HA 0.033 4.353 4.320 0.000 0.000 0.240 5219 A C 1.231 178.853 177.584 0.062 0.000 1.053 5219 A CA 0.708 52.815 52.037 0.117 0.000 0.755 5219 A CB 0.041 19.085 19.000 0.073 0.000 0.978 5219 A HN 0.372 nan 8.150 nan 0.000 0.507 5220 S N 0.563 116.290 115.700 0.045 0.000 2.503 5220 S HA 0.232 4.702 4.470 0.000 0.000 0.217 5220 S C 0.258 174.832 174.600 -0.043 0.000 0.999 5220 S CA 0.325 58.525 58.200 0.000 0.000 0.914 5220 S CB 0.166 63.372 63.200 0.011 0.000 0.782 5220 S HN 0.560 nan 8.310 nan 0.000 0.520 5221 V N 2.312 122.204 119.914 -0.036 0.000 2.733 5221 V HA 0.450 4.570 4.120 0.000 0.000 0.306 5221 V C -0.913 175.137 176.094 -0.074 0.000 1.084 5221 V CA -0.805 61.450 62.300 -0.076 0.000 0.905 5221 V CB 2.188 33.965 31.823 -0.076 0.000 1.010 5221 V HN 0.129 nan 8.190 nan 0.000 0.424 5222 R N 4.153 124.577 120.500 -0.127 0.000 2.480 5222 R HA 0.661 5.001 4.340 0.000 0.000 0.306 5222 R C -1.828 174.306 176.300 -0.277 0.000 0.958 5222 R CA -0.909 55.100 56.100 -0.152 0.000 0.861 5222 R CB 2.237 32.486 30.300 -0.085 0.000 1.171 5222 R HN 0.334 nan 8.270 nan 0.000 0.445 5223 L N 2.751 123.749 121.223 -0.375 0.000 2.343 5223 L HA 0.243 4.583 4.340 0.000 0.000 0.278 5223 L C -0.281 176.195 176.870 -0.657 0.000 0.996 5223 L CA -0.484 54.123 54.840 -0.388 0.000 0.831 5223 L CB 1.468 43.400 42.059 -0.211 0.000 1.232 5223 L HN 0.491 nan 8.230 nan 0.000 0.413 5224 D N 4.917 124.999 120.400 -0.531 0.000 2.456 5224 D HA 0.163 4.803 4.640 0.000 0.000 0.219 5224 D C -0.204 176.007 176.300 -0.149 0.000 1.126 5224 D CA -0.185 53.566 54.000 -0.414 0.000 0.890 5224 D CB 0.659 41.368 40.800 -0.152 0.000 1.025 5224 D HN 0.474 nan 8.370 nan 0.000 0.511 5225 I N 3.063 123.572 120.570 -0.102 0.000 2.532 5225 I HA 0.417 4.587 4.170 0.000 0.000 0.292 5225 I C -0.493 175.629 176.117 0.009 0.000 1.014 5225 I CA -0.485 60.803 61.300 -0.020 0.000 1.340 5225 I CB 0.553 38.563 38.000 0.017 0.000 1.422 5225 I HN 0.253 nan 8.210 nan 0.000 0.528 5226 R N 4.880 125.372 120.500 -0.012 0.000 2.680 5226 R HA 0.389 4.729 4.340 0.000 0.000 0.269 5226 R C -1.240 175.038 176.300 -0.037 0.000 1.026 5226 R CA -0.939 55.159 56.100 -0.004 0.000 0.889 5226 R CB 1.809 32.113 30.300 0.006 0.000 1.241 5226 R HN 0.568 nan 8.270 nan 0.000 0.463 5227 R N 2.979 123.471 120.500 -0.013 0.000 2.221 5227 R HA 0.236 4.576 4.340 0.000 0.000 0.327 5227 R C 0.732 177.020 176.300 -0.021 0.000 1.033 5227 R CA 0.021 56.109 56.100 -0.021 0.000 0.887 5227 R CB 0.515 30.825 30.300 0.016 0.000 1.057 5227 R HN 0.680 nan 8.270 nan 0.000 0.455 5228 I N 0.401 120.946 120.570 -0.042 0.000 3.939 5228 I HA 0.454 4.624 4.170 0.000 0.000 0.313 5228 I C 0.761 176.867 176.117 -0.019 0.000 1.274 5228 I CA -0.176 61.107 61.300 -0.029 0.000 1.301 5228 I CB 0.793 38.770 38.000 -0.039 0.000 1.105 5228 I HN 0.589 nan 8.210 nan 0.000 0.427 5229 G N 0.781 109.568 108.800 -0.021 0.000 2.554 5229 G HA2 0.727 4.687 3.960 0.000 0.000 0.306 5229 G HA3 0.727 4.687 3.960 0.000 0.000 0.306 5229 G C -1.921 172.978 174.900 -0.002 0.000 1.320 5229 G CA -0.219 44.876 45.100 -0.009 0.000 0.800 5229 G HN 0.282 nan 8.290 nan 0.000 0.481 5230 A N -0.999 121.823 122.820 0.003 0.000 2.306 5230 A HA 0.780 5.100 4.320 0.000 0.000 0.330 5230 A C -0.661 176.915 177.584 -0.013 0.000 1.146 5230 A CA -0.559 51.485 52.037 0.012 0.000 0.827 5230 A CB 1.670 20.686 19.000 0.026 0.000 1.178 5230 A HN 1.334 nan 8.150 nan 0.000 0.490 5231 V N 2.593 122.488 119.914 -0.031 0.000 2.357 5231 V HA 0.352 4.472 4.120 0.000 0.000 0.284 5231 V C -0.148 175.928 176.094 -0.031 0.000 1.018 5231 V CA -0.538 61.734 62.300 -0.046 0.000 0.841 5231 V CB 1.003 32.774 31.823 -0.086 0.000 0.991 5231 V HN 0.830 nan 8.190 nan 0.000 0.437 5232 K N 3.326 123.717 120.400 -0.016 0.000 2.244 5232 K HA 0.454 4.774 4.320 0.000 0.000 0.260 5232 K C -0.171 176.424 176.600 -0.007 0.000 0.951 5232 K CA -0.646 55.639 56.287 -0.003 0.000 0.826 5232 K CB 2.277 34.779 32.500 0.003 0.000 1.108 5232 K HN 0.514 nan 8.250 nan 0.000 0.433 5233 E N 2.075 122.274 120.200 -0.001 0.000 2.351 5233 E HA 0.064 4.414 4.350 0.000 0.000 0.236 5233 E C 0.938 177.538 176.600 0.001 0.000 1.341 5233 E CA 0.009 56.408 56.400 -0.002 0.000 1.579 5233 E CB 0.203 29.905 29.700 0.004 0.000 1.393 5233 E HN 1.052 nan 8.360 nan 0.000 0.438 5234 G N 1.982 110.781 108.800 -0.001 0.000 5.356 5234 G HA2 -0.393 3.567 3.960 0.000 0.000 0.309 5234 G HA3 -0.393 3.567 3.960 0.000 0.000 0.309 5234 G C 1.100 176.003 174.900 0.006 0.000 1.451 5234 G CA 0.384 45.485 45.100 0.001 0.000 0.978 5234 G HN 0.380 nan 8.290 nan 0.000 0.771 5235 E N 1.577 121.782 120.200 0.008 0.000 2.045 5235 E HA 0.052 4.402 4.350 0.000 0.000 0.190 5235 E C 1.133 177.744 176.600 0.018 0.000 0.968 5235 E CA 0.358 56.765 56.400 0.011 0.000 0.813 5235 E CB -0.389 29.317 29.700 0.010 0.000 0.780 5235 E HN 0.674 nan 8.360 nan 0.000 0.455 5236 N N 1.137 119.850 118.700 0.021 0.000 2.492 5236 N HA 0.082 4.822 4.740 0.000 0.000 0.262 5236 N C -0.737 174.799 175.510 0.043 0.000 1.202 5236 N CA -0.241 52.829 53.050 0.033 0.000 0.926 5236 N CB 1.354 39.862 38.487 0.035 0.000 1.078 5236 N HN -0.157 nan 8.380 nan 0.000 0.454 5237 V N 2.944 122.898 119.914 0.067 0.000 2.385 5237 V HA 0.072 4.192 4.120 0.000 0.000 0.269 5237 V C 0.678 176.871 176.094 0.164 0.000 1.043 5237 V CA -0.072 62.289 62.300 0.102 0.000 0.906 5237 V CB 1.294 33.190 31.823 0.123 0.000 0.995 5237 V HN 0.550 nan 8.190 nan 0.000 0.467 5238 V N 4.116 124.082 119.914 0.087 0.000 3.562 5238 V HA 0.597 4.717 4.120 0.000 0.000 0.270 5238 V C 0.734 176.584 176.094 -0.406 0.000 1.418 5238 V CA 0.976 63.288 62.300 0.020 0.000 1.033 5238 V CB 0.682 32.499 31.823 -0.010 0.000 0.820 5238 V HN 0.865 nan 8.190 nan 0.000 0.441 5239 G N -0.659 107.879 108.800 -0.436 0.000 2.719 5239 G HA2 0.471 4.431 3.960 0.000 0.000 0.298 5239 G HA3 0.471 4.431 3.960 0.000 0.000 0.298 5239 G C -1.089 173.605 174.900 -0.344 0.000 1.411 5239 G CA -0.261 44.420 45.100 -0.698 0.000 0.991 5239 G HN -0.014 nan 8.290 nan 0.000 0.509 5240 S N 0.781 116.304 115.700 -0.295 0.000 2.473 5240 S HA 0.227 4.697 4.470 0.000 0.000 0.312 5240 S C 0.260 174.805 174.600 -0.091 0.000 1.087 5240 S CA -0.298 57.907 58.200 0.008 0.000 1.077 5240 S CB 0.824 64.129 63.200 0.174 0.000 1.065 5240 S HN 0.626 nan 8.310 nan 0.000 0.510 5241 E N 2.866 123.015 120.200 -0.085 0.000 2.493 5241 E HA 0.074 4.424 4.350 0.000 0.000 0.255 5241 E C -0.413 176.080 176.600 -0.180 0.000 0.999 5241 E CA 0.649 56.975 56.400 -0.123 0.000 0.934 5241 E CB 0.319 29.974 29.700 -0.074 0.000 0.940 5241 E HN 0.377 nan 8.360 nan 0.000 0.473 5242 T N 5.687 120.029 114.554 -0.353 0.000 2.876 5242 T HA 0.455 4.805 4.350 0.000 0.000 0.289 5242 T C -0.711 173.674 174.700 -0.524 0.000 1.014 5242 T CA -0.786 61.029 62.100 -0.475 0.000 0.986 5242 T CB 1.264 69.720 68.868 -0.687 0.000 1.021 5242 T HN 0.358 nan 8.240 nan 0.000 0.458 5243 R N 2.225 122.556 120.500 -0.282 0.000 2.534 5243 R HA 0.710 5.051 4.340 0.000 0.000 0.301 5243 R C -1.916 174.344 176.300 -0.065 0.000 0.961 5243 R CA -0.555 55.458 56.100 -0.144 0.000 0.871 5243 R CB 1.341 31.600 30.300 -0.067 0.000 1.170 5243 R HN 0.466 nan 8.270 nan 0.000 0.446 5244 V N 5.006 124.933 119.914 0.022 0.000 2.443 5244 V HA 0.355 4.475 4.120 0.000 0.000 0.293 5244 V C -0.296 175.801 176.094 0.006 0.000 1.021 5244 V CA -0.882 61.439 62.300 0.036 0.000 0.848 5244 V CB 1.722 33.622 31.823 0.128 0.000 0.998 5244 V HN 0.684 nan 8.190 nan 0.000 0.424 5245 K N 2.796 123.171 120.400 -0.041 0.000 2.143 5245 K HA 0.568 4.888 4.320 0.000 0.000 0.272 5245 K C -0.668 175.846 176.600 -0.142 0.000 1.001 5245 K CA -0.637 55.614 56.287 -0.059 0.000 0.915 5245 K CB 2.192 34.672 32.500 -0.034 0.000 1.047 5245 K HN 0.453 nan 8.250 nan 0.000 0.458 5246 V N 4.382 124.202 119.914 -0.158 0.000 2.356 5246 V HA -0.002 4.118 4.120 0.000 0.000 0.258 5246 V C 1.001 176.837 176.094 -0.430 0.000 1.065 5246 V CA -0.044 62.112 62.300 -0.240 0.000 0.935 5246 V CB 0.737 32.445 31.823 -0.192 0.000 1.061 5246 V HN 0.630 nan 8.190 nan 0.000 0.484 5247 V N 3.700 123.355 119.914 -0.432 0.000 3.174 5247 V HA 0.160 4.280 4.120 0.000 0.000 0.254 5247 V C 0.898 176.670 176.094 -0.536 0.000 1.120 5247 V CA 0.946 62.900 62.300 -0.577 0.000 1.114 5247 V CB -0.068 31.594 31.823 -0.268 0.000 0.756 5247 V HN 0.736 nan 8.190 nan 0.000 0.467 5248 K N 1.060 121.248 120.400 -0.354 0.000 2.371 5248 K HA 0.442 4.763 4.320 0.000 0.000 0.251 5248 K C -1.439 175.010 176.600 -0.251 0.000 0.934 5248 K CA -0.577 55.541 56.287 -0.281 0.000 0.798 5248 K CB 1.731 34.126 32.500 -0.175 0.000 1.204 5248 K HN 0.098 nan 8.250 nan 0.000 0.427 5249 N N 2.687 121.238 118.700 -0.248 0.000 2.478 5249 N HA 0.215 4.956 4.740 0.000 0.000 0.291 5249 N C -0.932 174.442 175.510 -0.227 0.000 1.090 5249 N CA -0.332 52.582 53.050 -0.227 0.000 0.911 5249 N CB 1.671 40.003 38.487 -0.259 0.000 1.546 5249 N HN 0.577 nan 8.380 nan 0.000 0.500 5250 K N 2.277 122.571 120.400 -0.177 0.000 2.358 5250 K HA 0.298 4.618 4.320 0.000 0.000 0.200 5250 K C 0.857 177.335 176.600 -0.204 0.000 1.030 5250 K CA 0.053 56.236 56.287 -0.173 0.000 1.097 5250 K CB 0.670 33.119 32.500 -0.084 0.000 0.862 5250 K HN 0.370 nan 8.250 nan 0.000 0.534 5251 I N -0.079 120.375 120.570 -0.194 0.000 3.300 5251 I HA 0.173 4.343 4.170 0.000 0.000 0.279 5251 I C 0.397 176.407 176.117 -0.178 0.000 1.172 5251 I CA 0.165 61.374 61.300 -0.151 0.000 1.431 5251 I CB 0.823 38.763 38.000 -0.098 0.000 1.240 5251 I HN -0.010 nan 8.210 nan 0.000 0.453 5252 A N -0.545 122.153 122.820 -0.203 0.000 2.765 5252 A HA 0.841 5.161 4.320 0.000 0.000 0.305 5252 A C -0.804 176.646 177.584 -0.223 0.000 1.229 5252 A CA -0.143 51.785 52.037 -0.182 0.000 0.653 5252 A CB -0.300 18.644 19.000 -0.093 0.000 1.375 5252 A HN 0.085 nan 8.150 nan 0.000 0.540 5253 A N 1.521 124.264 122.820 -0.128 0.000 2.548 5253 A HA 0.526 4.846 4.320 0.000 0.000 0.247 5253 A C -2.021 175.464 177.584 -0.165 0.000 1.067 5253 A CA -0.359 51.599 52.037 -0.130 0.000 0.757 5253 A CB -0.806 18.235 19.000 0.067 0.000 0.996 5253 A HN 0.482 nan 8.150 nan 0.000 0.504 5254 P HA 0.469 nan 4.420 nan 0.000 0.282 5254 P C 0.199 177.540 177.300 0.067 0.000 1.287 5254 P CA -0.202 62.779 63.100 -0.197 0.000 0.792 5254 P CB 0.296 31.811 31.700 -0.309 0.000 1.163 5255 F N -4.270 115.630 119.950 -0.084 0.000 2.590 5255 F HA -0.223 4.304 4.527 0.000 0.000 0.471 5255 F C 0.868 176.660 175.800 -0.013 0.000 0.551 5255 F CA 1.137 59.118 58.000 -0.031 0.000 1.228 5255 F CB -1.839 37.163 39.000 0.004 0.000 1.862 5255 F HN 0.244 nan 8.300 nan 0.000 0.271 5256 K N 2.309 122.781 120.400 0.121 0.000 2.448 5256 K HA 0.214 4.534 4.320 0.000 0.000 0.278 5256 K C 0.476 177.100 176.600 0.041 0.000 1.009 5256 K CA 0.230 56.562 56.287 0.075 0.000 0.995 5256 K CB 0.413 32.937 32.500 0.041 0.000 0.917 5256 K HN 0.412 nan 8.250 nan 0.000 0.481 5257 Q N 0.697 120.526 119.800 0.048 0.000 2.351 5257 Q HA 0.712 5.052 4.340 0.000 0.000 0.273 5257 Q C -1.391 174.636 176.000 0.045 0.000 1.077 5257 Q CA -1.268 54.559 55.803 0.040 0.000 0.843 5257 Q CB 2.016 30.784 28.738 0.049 0.000 1.367 5257 Q HN 0.508 nan 8.270 nan 0.000 0.449 5258 A N 1.875 124.736 122.820 0.069 0.000 2.335 5258 A HA 0.488 4.808 4.320 0.000 0.000 0.304 5258 A C -1.201 176.501 177.584 0.197 0.000 1.118 5258 A CA -0.685 51.425 52.037 0.121 0.000 0.757 5258 A CB 1.164 20.236 19.000 0.120 0.000 1.188 5258 A HN 0.762 nan 8.150 nan 0.000 0.460 5259 E N 1.626 121.928 120.200 0.170 0.000 2.176 5259 E HA 0.671 5.021 4.350 0.000 0.000 0.267 5259 E C -0.997 175.719 176.600 0.193 0.000 0.893 5259 E CA -0.342 56.114 56.400 0.092 0.000 0.761 5259 E CB 1.745 31.459 29.700 0.023 0.000 1.133 5259 E HN 0.669 nan 8.360 nan 0.000 0.409 5260 F N -0.706 119.231 119.950 -0.023 0.000 3.090 5260 F HA 0.463 4.990 4.527 0.000 0.000 0.324 5260 F C -1.415 174.373 175.800 -0.020 0.000 1.189 5260 F CA -1.229 56.754 58.000 -0.029 0.000 0.907 5260 F CB 1.158 40.130 39.000 -0.046 0.000 1.445 5260 F HN 0.118 nan 8.300 nan 0.000 0.500 5261 Q N 1.129 121.050 119.800 0.201 0.000 2.333 5261 Q HA 0.649 4.989 4.340 0.000 0.000 0.267 5261 Q C -1.410 174.689 176.000 0.164 0.000 1.012 5261 Q CA -0.678 55.156 55.803 0.052 0.000 0.824 5261 Q CB 3.084 31.842 28.738 0.032 0.000 1.290 5261 Q HN 0.559 nan 8.270 nan 0.000 0.449 5262 I N 3.805 124.391 120.570 0.027 0.000 2.388 5262 I HA 0.234 4.404 4.170 0.000 0.000 0.281 5262 I C -0.551 175.484 176.117 -0.136 0.000 1.046 5262 I CA -0.432 60.912 61.300 0.073 0.000 1.187 5262 I CB 0.565 38.656 38.000 0.153 0.000 1.351 5262 I HN 0.376 nan 8.210 nan 0.000 0.472 5263 L N 6.155 127.322 121.223 -0.094 0.000 2.360 5263 L HA 0.233 4.573 4.340 0.000 0.000 0.276 5263 L C -0.575 176.265 176.870 -0.050 0.000 1.121 5263 L CA -0.608 54.112 54.840 -0.199 0.000 0.845 5263 L CB -0.071 41.947 42.059 -0.067 0.000 1.143 5263 L HN 0.391 nan 8.230 nan 0.000 0.452 5264 Y N 1.441 121.822 120.300 0.136 0.000 2.436 5264 Y HA 0.360 4.910 4.550 0.000 0.000 0.336 5264 Y C 1.344 177.379 175.900 0.225 0.000 1.049 5264 Y CA -0.181 58.037 58.100 0.197 0.000 1.294 5264 Y CB 0.348 38.863 38.460 0.091 0.000 1.179 5264 Y HN 0.857 nan 8.280 nan 0.000 0.520 5265 G N 1.874 111.020 108.800 0.577 0.000 2.157 5265 G HA2 -0.295 3.665 3.960 0.000 0.000 0.248 5265 G HA3 -0.295 3.665 3.960 0.000 0.000 0.248 5265 G C 0.655 175.642 174.900 0.145 0.000 0.979 5265 G CA 0.516 45.839 45.100 0.371 0.000 0.650 5265 G HN 0.656 nan 8.290 nan 0.000 0.529 5266 E N -1.665 118.600 120.200 0.108 0.000 2.684 5266 E HA 0.440 4.790 4.350 0.000 0.000 0.204 5266 E C 1.379 177.982 176.600 0.006 0.000 0.900 5266 E CA 1.104 57.523 56.400 0.032 0.000 1.481 5266 E CB 0.614 30.341 29.700 0.045 0.000 1.468 5266 E HN 1.693 nan 8.360 nan 0.000 0.778 5267 G N 1.111 109.942 108.800 0.053 0.000 2.416 5267 G HA2 -0.191 3.769 3.960 0.000 0.000 0.203 5267 G HA3 -0.191 3.769 3.960 0.000 0.000 0.203 5267 G C -0.528 174.438 174.900 0.110 0.000 1.227 5267 G CA -0.362 44.776 45.100 0.064 0.000 1.041 5267 G HN 0.146 nan 8.290 nan 0.000 0.546 5268 I N 1.661 122.304 120.570 0.120 0.000 2.598 5268 I HA 0.078 4.248 4.170 0.000 0.000 0.284 5268 I C 0.605 176.805 176.117 0.138 0.000 1.140 5268 I CA -0.268 61.123 61.300 0.153 0.000 1.420 5268 I CB 0.659 38.671 38.000 0.019 0.000 1.387 5268 I HN 0.423 nan 8.210 nan 0.000 0.553 5269 N N 6.449 125.246 118.700 0.162 0.000 2.549 5269 N HA -0.029 4.711 4.740 0.000 0.000 0.267 5269 N C 0.607 176.204 175.510 0.146 0.000 1.182 5269 N CA 0.222 53.371 53.050 0.165 0.000 1.019 5269 N CB -0.070 38.496 38.487 0.132 0.000 1.380 5269 N HN 0.502 nan 8.380 nan 0.000 0.505 5270 F N 3.216 123.148 119.950 -0.029 0.000 2.069 5270 F HA -0.248 4.279 4.527 0.000 0.000 0.298 5270 F C 0.991 176.674 175.800 -0.195 0.000 1.113 5270 F CA 1.698 59.578 58.000 -0.201 0.000 1.214 5270 F CB -0.107 38.666 39.000 -0.378 0.000 0.978 5270 F HN 0.511 nan 8.300 nan 0.000 0.474 5271 Y N 0.039 120.479 120.300 0.233 0.000 2.314 5271 Y HA -0.000 4.550 4.550 0.000 0.000 0.293 5271 Y C 2.657 178.573 175.900 0.027 0.000 1.129 5271 Y CA 0.801 58.981 58.100 0.132 0.000 1.201 5271 Y CB -1.320 37.211 38.460 0.118 0.000 0.999 5271 Y HN 0.132 nan 8.280 nan 0.000 0.541 5272 G N 0.524 109.426 108.800 0.170 0.000 2.586 5272 G HA2 -0.338 3.622 3.960 0.000 0.000 0.218 5272 G HA3 -0.338 3.622 3.960 0.000 0.000 0.218 5272 G C 1.407 176.325 174.900 0.031 0.000 1.216 5272 G CA 1.597 46.745 45.100 0.080 0.000 0.786 5272 G HN 0.443 nan 8.290 nan 0.000 0.583 5273 E N -0.076 120.110 120.200 -0.024 0.000 2.033 5273 E HA -0.164 4.186 4.350 0.000 0.000 0.199 5273 E C 2.425 178.971 176.600 -0.091 0.000 1.011 5273 E CA 1.008 57.359 56.400 -0.081 0.000 0.815 5273 E CB -0.376 29.188 29.700 -0.227 0.000 0.755 5273 E HN 0.249 nan 8.360 nan 0.000 0.451 5274 L N 1.119 122.250 121.223 -0.154 0.000 2.030 5274 L HA -0.287 4.053 4.340 0.000 0.000 0.222 5274 L C 2.282 179.156 176.870 0.007 0.000 1.082 5274 L CA 1.655 56.441 54.840 -0.090 0.000 0.785 5274 L CB -0.741 41.298 42.059 -0.033 0.000 0.895 5274 L HN 0.029 nan 8.230 nan 0.000 0.439 5275 V N -0.187 119.754 119.914 0.045 0.000 2.217 5275 V HA -0.414 3.706 4.120 0.000 0.000 0.248 5275 V C 2.332 178.485 176.094 0.098 0.000 1.050 5275 V CA 2.218 64.560 62.300 0.069 0.000 1.007 5275 V CB -0.956 30.869 31.823 0.005 0.000 0.639 5275 V HN 0.477 nan 8.190 nan 0.000 0.452 5276 D N -0.141 120.308 120.400 0.082 0.000 2.157 5276 D HA -0.183 4.457 4.640 0.000 0.000 0.191 5276 D C 2.097 178.439 176.300 0.071 0.000 1.004 5276 D CA 1.359 55.415 54.000 0.093 0.000 0.854 5276 D CB -0.357 40.482 40.800 0.064 0.000 0.936 5276 D HN 0.194 nan 8.370 nan 0.000 0.446 5277 L N 0.473 121.716 121.223 0.034 0.000 2.046 5277 L HA -0.079 4.261 4.340 0.000 0.000 0.208 5277 L C 2.587 179.483 176.870 0.043 0.000 1.077 5277 L CA 1.679 56.530 54.840 0.019 0.000 0.747 5277 L CB -1.669 40.375 42.059 -0.025 0.000 0.896 5277 L HN 0.091 nan 8.230 nan 0.000 0.432 5278 G N -0.793 108.044 108.800 0.061 0.000 2.422 5278 G HA2 -0.166 3.794 3.960 0.000 0.000 0.218 5278 G HA3 -0.166 3.794 3.960 0.000 0.000 0.218 5278 G C 1.746 176.711 174.900 0.108 0.000 1.146 5278 G CA 0.963 46.117 45.100 0.090 0.000 0.769 5278 G HN 0.266 nan 8.290 nan 0.000 0.547 5279 V N 0.653 120.639 119.914 0.120 0.000 2.270 5279 V HA -0.130 3.990 4.120 0.000 0.000 0.245 5279 V C 2.646 178.780 176.094 0.066 0.000 1.043 5279 V CA 2.170 64.535 62.300 0.107 0.000 1.014 5279 V CB -0.429 31.476 31.823 0.136 0.000 0.645 5279 V HN 0.355 nan 8.190 nan 0.000 0.447 5280 K N -0.290 120.145 120.400 0.059 0.000 2.209 5280 K HA -0.150 4.170 4.320 0.000 0.000 0.204 5280 K C 1.619 178.241 176.600 0.038 0.000 1.048 5280 K CA 1.109 57.421 56.287 0.041 0.000 0.940 5280 K CB 0.066 32.588 32.500 0.036 0.000 0.729 5280 K HN 0.381 nan 8.250 nan 0.000 0.451 5281 E N 0.584 120.811 120.200 0.045 0.000 2.444 5281 E HA 0.010 4.360 4.350 0.000 0.000 0.191 5281 E C -0.225 176.405 176.600 0.051 0.000 1.041 5281 E CA 0.043 56.469 56.400 0.044 0.000 0.883 5281 E CB 0.662 30.387 29.700 0.043 0.000 1.024 5281 E HN 0.115 nan 8.360 nan 0.000 0.470 5282 K N -0.102 120.330 120.400 0.054 0.000 3.130 5282 K HA -0.203 4.117 4.320 0.000 0.000 0.282 5282 K C 0.937 177.583 176.600 0.077 0.000 1.145 5282 K CA 0.395 56.714 56.287 0.054 0.000 0.831 5282 K CB -2.053 30.469 32.500 0.035 0.000 1.226 5282 K HN 0.276 nan 8.250 nan 0.000 0.478 5283 L N -0.440 120.848 121.223 0.109 0.000 2.375 5283 L HA 0.178 4.518 4.340 0.000 0.000 0.215 5283 L C 0.986 178.009 176.870 0.255 0.000 1.108 5283 L CA 0.569 55.513 54.840 0.173 0.000 0.830 5283 L CB 0.198 42.360 42.059 0.173 0.000 0.959 5283 L HN 0.113 nan 8.230 nan 0.000 0.457 5284 I N -0.878 119.812 120.570 0.200 0.000 2.509 5284 I HA 0.210 4.380 4.170 0.000 0.000 0.293 5284 I C -0.282 175.914 176.117 0.133 0.000 1.020 5284 I CA -0.653 60.782 61.300 0.225 0.000 1.088 5284 I CB 2.237 40.383 38.000 0.244 0.000 1.267 5284 I HN -0.168 nan 8.210 nan 0.000 0.430 5285 E N 5.241 125.504 120.200 0.105 0.000 2.313 5285 E HA 0.246 4.596 4.350 0.000 0.000 0.276 5285 E C -0.702 175.875 176.600 -0.038 0.000 1.031 5285 E CA -0.308 56.109 56.400 0.029 0.000 0.857 5285 E CB 0.968 30.678 29.700 0.018 0.000 1.040 5285 E HN 0.320 nan 8.360 nan 0.000 0.408 5286 K N 2.791 123.127 120.400 -0.107 0.000 2.575 5286 K HA 0.494 4.814 4.320 0.000 0.000 0.236 5286 K C -1.592 174.931 176.600 -0.128 0.000 0.976 5286 K CA -0.594 55.547 56.287 -0.243 0.000 0.985 5286 K CB 0.983 33.249 32.500 -0.390 0.000 1.198 5286 K HN 0.492 nan 8.250 nan 0.000 0.464 5287 A N 3.575 126.361 122.820 -0.057 0.000 2.880 5287 A HA 0.567 4.887 4.320 0.000 0.000 0.328 5287 A C 0.837 178.439 177.584 0.029 0.000 1.440 5287 A CA 0.358 52.394 52.037 -0.001 0.000 1.068 5287 A CB -0.270 18.747 19.000 0.029 0.000 1.163 5287 A HN 1.064 nan 8.150 nan 0.000 0.510 5288 G N 1.279 110.062 108.800 -0.028 0.000 3.031 5288 G HA2 -0.063 3.897 3.960 0.000 0.000 0.289 5288 G HA3 -0.063 3.897 3.960 0.000 0.000 0.289 5288 G C 1.308 176.162 174.900 -0.077 0.000 1.393 5288 G CA 0.712 45.796 45.100 -0.026 0.000 1.010 5288 G HN 1.829 nan 8.290 nan 0.000 0.579 5289 A N -0.785 121.994 122.820 -0.069 0.000 2.229 5289 A HA 0.529 4.849 4.320 0.000 0.000 0.211 5289 A C 0.707 178.217 177.584 -0.123 0.000 1.193 5289 A CA 0.536 52.496 52.037 -0.128 0.000 0.879 5289 A CB 0.038 18.916 19.000 -0.203 0.000 0.911 5289 A HN 0.599 nan 8.150 nan 0.000 0.492 5290 W N -0.384 120.902 121.300 -0.025 0.000 2.287 5290 W HA 0.488 5.148 4.660 -0.000 0.000 0.313 5290 W C -0.742 175.748 176.519 -0.048 0.000 1.267 5290 W CA 0.013 57.372 57.345 0.022 0.000 1.201 5290 W CB 0.341 29.795 29.460 -0.010 0.000 1.196 5290 W HN 0.218 nan 8.180 nan 0.000 0.536 5291 Y N 2.499 122.946 120.300 0.244 0.000 2.331 5291 Y HA 0.409 4.959 4.550 0.000 0.000 0.338 5291 Y C 0.384 176.338 175.900 0.090 0.000 0.976 5291 Y CA -0.631 57.545 58.100 0.126 0.000 1.137 5291 Y CB 1.303 39.805 38.460 0.069 0.000 1.172 5291 Y HN 0.159 nan 8.280 nan 0.000 0.478 5292 S N 2.636 118.436 115.700 0.167 0.000 2.568 5292 S HA 0.472 4.942 4.470 0.000 0.000 0.302 5292 S C -1.851 172.827 174.600 0.129 0.000 1.082 5292 S CA -0.778 57.466 58.200 0.074 0.000 1.009 5292 S CB 1.410 64.618 63.200 0.012 0.000 1.069 5292 S HN 0.489 nan 8.310 nan 0.000 0.500 5293 Y N 2.029 122.280 120.300 -0.082 0.000 2.326 5293 Y HA 0.381 4.931 4.550 0.000 0.000 0.329 5293 Y C 0.260 176.148 175.900 -0.019 0.000 0.973 5293 Y CA -1.010 57.071 58.100 -0.032 0.000 1.162 5293 Y CB 0.539 38.983 38.460 -0.026 0.000 1.147 5293 Y HN 0.831 nan 8.280 nan 0.000 0.456 5294 K N 4.596 124.716 120.400 -0.466 0.000 3.016 5294 K HA -0.277 4.043 4.320 0.000 0.000 0.262 5294 K C 0.925 177.408 176.600 -0.195 0.000 1.043 5294 K CA 1.119 57.171 56.287 -0.392 0.000 0.761 5294 K CB -1.467 30.704 32.500 -0.548 0.000 1.230 5294 K HN 1.331 nan 8.250 nan 0.000 0.485 5295 G N 0.249 108.971 108.800 -0.129 0.000 2.358 5295 G HA2 -0.337 3.624 3.960 0.000 0.000 0.224 5295 G HA3 -0.337 3.624 3.960 0.000 0.000 0.224 5295 G C -0.134 174.708 174.900 -0.096 0.000 1.073 5295 G CA 0.296 45.338 45.100 -0.097 0.000 0.635 5295 G HN 0.439 nan 8.290 nan 0.000 0.509 5296 E N 2.015 122.160 120.200 -0.092 0.000 2.257 5296 E HA 0.319 4.669 4.350 0.000 0.000 0.278 5296 E C 0.019 176.542 176.600 -0.129 0.000 1.049 5296 E CA -0.321 56.023 56.400 -0.093 0.000 0.876 5296 E CB 0.204 29.876 29.700 -0.047 0.000 1.035 5296 E HN 0.361 nan 8.360 nan 0.000 0.419 5297 K N 5.704 126.008 120.400 -0.160 0.000 2.378 5297 K HA 0.090 4.410 4.320 0.000 0.000 0.288 5297 K C 1.130 177.607 176.600 -0.204 0.000 1.057 5297 K CA -0.014 56.178 56.287 -0.158 0.000 0.971 5297 K CB 0.492 32.817 32.500 -0.292 0.000 0.975 5297 K HN 0.581 nan 8.250 nan 0.000 0.475 5298 I N -1.144 119.274 120.570 -0.254 0.000 3.462 5298 I HA 0.234 4.404 4.170 0.000 0.000 0.290 5298 I C 0.611 176.577 176.117 -0.252 0.000 1.236 5298 I CA -0.044 60.858 61.300 -0.664 0.000 1.418 5298 I CB 0.568 37.956 38.000 -1.020 0.000 1.102 5298 I HN 0.533 nan 8.210 nan 0.000 0.441 5299 G N 1.826 110.688 108.800 0.103 0.000 2.443 5299 G HA2 0.125 4.085 3.960 0.000 0.000 0.303 5299 G HA3 0.125 4.085 3.960 0.000 0.000 0.303 5299 G C -1.792 173.203 174.900 0.158 0.000 1.613 5299 G CA -0.659 44.538 45.100 0.163 0.000 0.879 5299 G HN 0.236 nan 8.290 nan 0.000 0.632 5300 Q N 0.863 120.517 119.800 -0.243 0.000 2.314 5300 Q HA 0.527 4.867 4.340 0.000 0.000 0.257 5300 Q C 0.565 176.393 176.000 -0.287 0.000 0.975 5300 Q CA 0.746 56.124 55.803 -0.709 0.000 0.933 5300 Q CB 0.710 28.520 28.738 -1.547 0.000 1.195 5300 Q HN 2.329 nan 8.270 nan 0.000 0.426 5301 G N 3.138 111.902 108.800 -0.061 0.000 2.692 5301 G HA2 -0.238 3.722 3.960 0.000 0.000 0.686 5301 G HA3 -0.238 3.722 3.960 0.000 0.000 0.686 5301 G C -0.065 174.740 174.900 -0.159 0.000 1.243 5301 G CA -0.080 45.021 45.100 0.002 0.000 0.782 5301 G HN 0.762 nan 8.290 nan 0.000 0.625 5302 K N 0.679 120.971 120.400 -0.181 0.000 2.147 5302 K HA 0.055 4.375 4.320 0.000 0.000 0.205 5302 K C 2.828 179.280 176.600 -0.247 0.000 1.049 5302 K CA 2.179 58.217 56.287 -0.414 0.000 0.936 5302 K CB -0.306 32.104 32.500 -0.150 0.000 0.722 5302 K HN 1.071 nan 8.250 nan 0.000 0.446 5303 A N 1.095 123.835 122.820 -0.133 0.000 1.972 5303 A HA -0.171 4.149 4.320 0.000 0.000 0.219 5303 A C 1.576 179.117 177.584 -0.071 0.000 1.169 5303 A CA 1.745 53.733 52.037 -0.081 0.000 0.635 5303 A CB -0.506 18.460 19.000 -0.056 0.000 0.810 5303 A HN 0.510 nan 8.150 nan 0.000 0.446 5304 N N -0.735 117.909 118.700 -0.093 0.000 2.409 5304 N HA 0.125 4.865 4.740 0.000 0.000 0.174 5304 N C 1.813 177.313 175.510 -0.017 0.000 1.037 5304 N CA 0.577 53.603 53.050 -0.039 0.000 0.898 5304 N CB -0.049 38.415 38.487 -0.039 0.000 1.010 5304 N HN 0.467 nan 8.380 nan 0.000 0.445 5305 A N 0.680 123.406 122.820 -0.157 0.000 2.014 5305 A HA -0.065 4.255 4.320 0.000 0.000 0.218 5305 A C 2.211 179.798 177.584 0.006 0.000 1.163 5305 A CA 1.284 53.236 52.037 -0.143 0.000 0.652 5305 A CB -0.633 18.037 19.000 -0.549 0.000 0.808 5305 A HN 0.132 nan 8.150 nan 0.000 0.449 5306 T N 0.447 114.979 114.554 -0.037 0.000 2.614 5306 T HA -0.019 4.331 4.350 0.000 0.000 0.263 5306 T C 2.187 176.886 174.700 -0.001 0.000 1.055 5306 T CA 1.683 63.791 62.100 0.013 0.000 1.162 5306 T CB -0.516 68.350 68.868 -0.005 0.000 0.863 5306 T HN 0.558 nan 8.240 nan 0.000 0.414 5307 A N -0.482 122.338 122.820 0.001 0.000 2.172 5307 A HA -0.020 4.300 4.320 0.000 0.000 0.216 5307 A C 1.902 179.491 177.584 0.009 0.000 1.154 5307 A CA 0.911 52.933 52.037 -0.024 0.000 0.701 5307 A CB -0.877 18.120 19.000 -0.005 0.000 0.789 5307 A HN 0.753 nan 8.150 nan 0.000 0.465 5308 W N -0.387 120.859 121.300 -0.090 0.000 2.539 5308 W HA 0.132 4.792 4.660 0.000 0.000 0.281 5308 W C 1.449 177.912 176.519 -0.092 0.000 1.220 5308 W CA 0.899 58.206 57.345 -0.064 0.000 1.332 5308 W CB -0.028 29.425 29.460 -0.013 0.000 1.095 5308 W HN 0.190 nan 8.180 nan 0.000 0.571 5309 L N 0.993 122.215 121.223 -0.002 0.000 2.141 5309 L HA -0.138 4.202 4.340 0.000 0.000 0.209 5309 L C 2.535 179.098 176.870 -0.512 0.000 1.094 5309 L CA 1.346 56.064 54.840 -0.204 0.000 0.763 5309 L CB -0.690 41.456 42.059 0.145 0.000 0.908 5309 L HN -0.102 nan 8.230 nan 0.000 0.437 5310 K N -0.015 120.004 120.400 -0.634 0.000 2.097 5310 K HA -0.235 4.085 4.320 0.000 0.000 0.206 5310 K C 1.590 177.898 176.600 -0.486 0.000 1.049 5310 K CA 1.847 57.671 56.287 -0.772 0.000 0.933 5310 K CB 0.039 32.231 32.500 -0.512 0.000 0.717 5310 K HN 0.180 nan 8.250 nan 0.000 0.442 5311 D N -0.272 119.869 120.400 -0.432 0.000 2.194 5311 D HA -0.038 4.603 4.640 0.000 0.000 0.204 5311 D C -0.319 175.711 176.300 -0.451 0.000 0.964 5311 D CA 0.736 54.510 54.000 -0.376 0.000 0.846 5311 D CB 0.240 40.847 40.800 -0.322 0.000 0.962 5311 D HN 0.051 nan 8.370 nan 0.000 0.490 5312 N N -0.380 117.922 118.700 -0.663 0.000 2.898 5312 N HA 0.227 4.967 4.740 0.000 0.000 0.245 5312 N C -2.201 173.077 175.510 -0.386 0.000 1.185 5312 N CA -1.216 51.485 53.050 -0.582 0.000 0.879 5312 N CB 1.881 39.852 38.487 -0.860 0.000 1.157 5312 N HN -0.033 nan 8.380 nan 0.000 0.503 5313 P HA -0.129 nan 4.420 nan 0.000 0.222 5313 P C 0.843 178.113 177.300 -0.052 0.000 1.147 5313 P CA 0.961 64.010 63.100 -0.084 0.000 0.790 5313 P CB 0.426 32.088 31.700 -0.064 0.000 0.780 5314 E N -0.363 119.791 120.200 -0.077 0.000 2.038 5314 E HA -0.139 4.211 4.350 0.000 0.000 0.195 5314 E C 1.737 178.332 176.600 -0.010 0.000 1.000 5314 E CA 1.712 58.092 56.400 -0.032 0.000 0.803 5314 E CB -1.779 27.907 29.700 -0.024 0.000 0.750 5314 E HN 0.290 nan 8.360 nan 0.000 0.448 5315 T N 1.690 116.218 114.554 -0.043 0.000 2.821 5315 T HA -0.016 4.334 4.350 0.000 0.000 0.267 5315 T C 2.119 176.801 174.700 -0.030 0.000 1.046 5315 T CA 1.374 63.469 62.100 -0.009 0.000 1.139 5315 T CB -0.277 68.586 68.868 -0.009 0.000 0.871 5315 T HN 0.319 nan 8.240 nan 0.000 0.454 5316 A N 2.309 125.120 122.820 -0.014 0.000 1.877 5316 A HA -0.137 4.183 4.320 0.000 0.000 0.216 5316 A C 2.334 179.962 177.584 0.073 0.000 1.186 5316 A CA 1.228 53.314 52.037 0.081 0.000 0.620 5316 A CB -0.343 18.801 19.000 0.241 0.000 0.822 5316 A HN 0.217 nan 8.150 nan 0.000 0.443 5317 K N -0.171 120.262 120.400 0.053 0.000 2.032 5317 K HA -0.186 4.134 4.320 0.000 0.000 0.209 5317 K C 1.896 178.523 176.600 0.044 0.000 1.048 5317 K CA 1.666 57.979 56.287 0.043 0.000 0.927 5317 K CB -0.591 31.923 32.500 0.023 0.000 0.712 5317 K HN 0.757 nan 8.250 nan 0.000 0.441 5318 E N 0.517 120.746 120.200 0.047 0.000 2.085 5318 E HA -0.146 4.204 4.350 0.000 0.000 0.194 5318 E C 2.072 178.716 176.600 0.072 0.000 0.994 5318 E CA 0.958 57.400 56.400 0.070 0.000 0.801 5318 E CB 0.017 29.781 29.700 0.107 0.000 0.743 5318 E HN 0.249 nan 8.360 nan 0.000 0.453 5319 I N 0.364 120.955 120.570 0.036 0.000 2.277 5319 I HA -0.192 3.978 4.170 0.000 0.000 0.243 5319 I C 2.611 178.750 176.117 0.036 0.000 1.094 5319 I CA 0.941 62.258 61.300 0.027 0.000 1.393 5319 I CB -0.398 37.571 38.000 -0.051 0.000 1.078 5319 I HN 0.188 nan 8.210 nan 0.000 0.417 5320 E N 1.877 122.099 120.200 0.037 0.000 2.048 5320 E HA -0.344 4.006 4.350 0.000 0.000 0.202 5320 E C 2.233 178.849 176.600 0.027 0.000 1.021 5320 E CA 2.025 58.445 56.400 0.033 0.000 0.825 5320 E CB -0.056 29.690 29.700 0.077 0.000 0.756 5320 E HN 0.276 nan 8.360 nan 0.000 0.454 5321 K N 0.356 120.778 120.400 0.037 0.000 2.032 5321 K HA -0.193 4.127 4.320 0.000 0.000 0.209 5321 K C 2.182 178.801 176.600 0.032 0.000 1.048 5321 K CA 1.737 58.043 56.287 0.032 0.000 0.927 5321 K CB 0.003 32.523 32.500 0.034 0.000 0.712 5321 K HN 0.006 nan 8.250 nan 0.000 0.441 5322 K N 0.147 120.573 120.400 0.044 0.000 2.211 5322 K HA -0.084 4.236 4.320 0.000 0.000 0.203 5322 K C 1.952 178.575 176.600 0.038 0.000 1.050 5322 K CA 0.995 57.311 56.287 0.049 0.000 0.945 5322 K CB 0.097 32.641 32.500 0.073 0.000 0.732 5322 K HN 0.009 nan 8.250 nan 0.000 0.451 5323 V N 1.238 121.170 119.914 0.030 0.000 2.261 5323 V HA -0.258 3.862 4.120 0.000 0.000 0.246 5323 V C 2.203 178.299 176.094 0.004 0.000 1.047 5323 V CA 1.655 63.964 62.300 0.015 0.000 1.015 5323 V CB -0.435 31.385 31.823 -0.005 0.000 0.642 5323 V HN 0.289 nan 8.190 nan 0.000 0.446 5324 R N -0.125 120.375 120.500 -0.001 0.000 2.096 5324 R HA -0.227 4.113 4.340 0.000 0.000 0.240 5324 R C 2.331 178.634 176.300 0.004 0.000 1.139 5324 R CA 2.024 58.122 56.100 -0.004 0.000 0.952 5324 R CB -0.437 29.862 30.300 -0.001 0.000 0.854 5324 R HN 0.605 nan 8.270 nan 0.000 0.436 5325 E N 0.436 120.644 120.200 0.013 0.000 2.130 5325 E HA -0.218 4.132 4.350 0.000 0.000 0.196 5325 E C 1.977 178.587 176.600 0.016 0.000 0.998 5325 E CA 1.154 57.564 56.400 0.016 0.000 0.806 5325 E CB -0.073 29.640 29.700 0.021 0.000 0.738 5325 E HN 0.322 nan 8.360 nan 0.000 0.459 5326 L N -0.265 120.968 121.223 0.017 0.000 2.209 5326 L HA -0.044 4.296 4.340 0.000 0.000 0.207 5326 L C 1.900 178.779 176.870 0.014 0.000 1.094 5326 L CA 0.541 55.392 54.840 0.018 0.000 0.790 5326 L CB 0.249 42.322 42.059 0.023 0.000 0.932 5326 L HN 0.104 nan 8.230 nan 0.000 0.447 5327 L N -1.087 120.141 121.223 0.008 0.000 2.858 5327 L HA 0.251 4.591 4.340 0.000 0.000 0.251 5327 L C 0.207 177.078 176.870 0.002 0.000 1.149 5327 L CA -0.233 54.610 54.840 0.005 0.000 0.955 5327 L CB 0.624 42.683 42.059 -0.000 0.000 1.289 5327 L HN 0.081 nan 8.230 nan 0.000 0.542 5328 L N 0.000 121.224 121.223 0.002 0.000 2.949 5328 L HA 0.000 4.340 4.340 0.000 0.000 0.249 5328 L CA 0.000 54.840 54.840 0.000 0.000 0.813 5328 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 5328 L HN 0.000 nan 8.230 nan 0.000 0.502