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 3cmv_1_G 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 TLLIFINQXX XXXXXXXXXX XXXXGGNALK 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXXGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE XXXXXXXXGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK 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 XXXXXXXXXK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPXXXXX XXXXXXXXXL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQXX XXXXXXXXXX XXXXGGNALK 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 0.000 176.087 176.094 -0.012 0.000 1.182 37 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 37 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 38 E N 1.251 121.443 120.200 -0.012 0.000 2.331 38 E HA 0.636 4.986 4.350 -0.000 0.000 0.272 38 E C -0.801 175.786 176.600 -0.021 0.000 1.036 38 E CA 0.290 56.679 56.400 -0.017 0.000 0.864 38 E CB 1.571 31.262 29.700 -0.016 0.000 1.035 38 E HN 0.942 nan 8.360 nan 0.000 0.408 39 T N 0.277 114.813 114.554 -0.029 0.000 2.916 39 T HA 0.496 4.846 4.350 -0.000 0.000 0.298 39 T C -0.326 174.344 174.700 -0.049 0.000 1.031 39 T CA -0.884 61.194 62.100 -0.036 0.000 0.993 39 T CB 0.971 69.816 68.868 -0.038 0.000 1.045 39 T HN 0.151 nan 8.240 nan 0.000 0.454 40 I N 2.160 122.698 120.570 -0.054 0.000 2.377 40 I HA 0.381 4.551 4.170 -0.000 0.000 0.293 40 I C 0.912 176.974 176.117 -0.092 0.000 0.987 40 I CA -0.606 60.653 61.300 -0.069 0.000 1.185 40 I CB 1.677 39.642 38.000 -0.059 0.000 1.341 40 I HN 0.846 nan 8.210 nan 0.000 0.455 41 S N 3.295 118.921 115.700 -0.124 0.000 2.537 41 S HA 0.026 4.496 4.470 -0.000 0.000 0.286 41 S C 1.573 176.068 174.600 -0.174 0.000 1.299 41 S CA -0.006 58.091 58.200 -0.172 0.000 1.067 41 S CB 0.351 63.408 63.200 -0.239 0.000 0.864 41 S HN 0.805 nan 8.310 nan 0.000 0.494 42 T N 2.647 117.094 114.554 -0.178 0.000 2.962 42 T HA 0.187 4.537 4.350 -0.000 0.000 0.270 42 T C 1.579 176.160 174.700 -0.198 0.000 1.088 42 T CA 1.131 63.134 62.100 -0.162 0.000 1.127 42 T CB -0.522 68.250 68.868 -0.159 0.000 0.883 42 T HN 1.425 nan 8.240 nan 0.000 0.493 43 G N 0.523 109.157 108.800 -0.276 0.000 2.313 43 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.215 43 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.215 43 G C 0.310 175.000 174.900 -0.350 0.000 1.023 43 G CA 0.265 45.185 45.100 -0.300 0.000 0.626 43 G HN 1.086 nan 8.290 nan 0.000 0.503 44 S N 0.624 116.089 115.700 -0.391 0.000 2.565 44 S HA 0.705 5.175 4.470 -0.000 0.000 0.290 44 S C 1.400 175.813 174.600 -0.312 0.000 1.150 44 S CA -0.327 57.607 58.200 -0.443 0.000 1.058 44 S CB 1.279 63.968 63.200 -0.851 0.000 1.032 44 S HN 0.394 nan 8.310 nan 0.000 0.510 45 L N 3.781 124.888 121.223 -0.194 0.000 2.044 45 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 45 L C 2.571 179.391 176.870 -0.083 0.000 1.075 45 L CA 2.462 57.232 54.840 -0.116 0.000 0.747 45 L CB -1.540 40.520 42.059 0.002 0.000 0.903 45 L HN 0.958 nan 8.230 nan 0.000 0.435 46 S N -1.098 114.569 115.700 -0.056 0.000 2.461 46 S HA -0.127 4.343 4.470 -0.000 0.000 0.228 46 S C 2.028 176.622 174.600 -0.010 0.000 1.005 46 S CA 0.428 58.628 58.200 0.000 0.000 0.942 46 S CB -0.505 62.734 63.200 0.065 0.000 0.776 46 S HN 0.402 nan 8.310 nan 0.000 0.514 47 L N 1.590 122.768 121.223 -0.075 0.000 2.017 47 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 47 L C 1.845 178.684 176.870 -0.052 0.000 1.073 47 L CA 1.968 56.775 54.840 -0.055 0.000 0.745 47 L CB -0.533 41.448 42.059 -0.129 0.000 0.894 47 L HN 0.197 nan 8.230 nan 0.000 0.432 48 D N -0.010 120.339 120.400 -0.085 0.000 2.149 48 D HA -0.212 4.428 4.640 -0.000 0.000 0.198 48 D C 2.130 178.407 176.300 -0.038 0.000 0.990 48 D CA 1.420 55.376 54.000 -0.072 0.000 0.839 48 D CB -0.147 40.592 40.800 -0.101 0.000 0.948 48 D HN 0.361 nan 8.370 nan 0.000 0.460 49 I N 0.658 121.213 120.570 -0.025 0.000 2.202 49 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 49 I C 2.281 178.404 176.117 0.011 0.000 1.091 49 I CA 1.149 62.447 61.300 -0.002 0.000 1.368 49 I CB -0.129 37.878 38.000 0.011 0.000 1.058 49 I HN -0.041 nan 8.210 nan 0.000 0.410 50 A N 0.101 122.932 122.820 0.018 0.000 2.067 50 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 50 A C 2.234 179.829 177.584 0.019 0.000 1.156 50 A CA 0.731 52.785 52.037 0.030 0.000 0.683 50 A CB -0.572 18.456 19.000 0.046 0.000 0.808 50 A HN 0.358 nan 8.150 nan 0.000 0.455 51 L N -1.307 119.918 121.223 0.004 0.000 2.131 51 L HA -0.046 4.294 4.340 -0.000 0.000 0.210 51 L C 2.124 178.993 176.870 -0.002 0.000 1.092 51 L CA 1.256 56.093 54.840 -0.005 0.000 0.759 51 L CB -0.235 41.812 42.059 -0.019 0.000 0.903 51 L HN 0.592 nan 8.230 nan 0.000 0.435 52 G N -1.633 107.168 108.800 0.000 0.000 2.199 52 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.254 52 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.254 52 G C 0.821 175.719 174.900 -0.004 0.000 0.982 52 G CA 0.502 45.604 45.100 0.003 0.000 0.632 52 G HN 0.516 nan 8.290 nan 0.000 0.529 53 A N -0.212 122.600 122.820 -0.012 0.000 2.324 53 A HA 0.644 4.964 4.320 -0.000 0.000 0.220 53 A C 2.247 179.815 177.584 -0.027 0.000 1.209 53 A CA 1.623 53.649 52.037 -0.017 0.000 0.918 53 A CB -0.035 18.954 19.000 -0.018 0.000 0.959 53 A HN 2.342 nan 8.150 nan 0.000 0.507 54 G N -1.107 107.673 108.800 -0.033 0.000 2.272 54 G HA2 0.329 4.289 3.960 -0.000 0.000 0.280 54 G HA3 0.329 4.289 3.960 -0.000 0.000 0.280 54 G C 0.951 175.813 174.900 -0.064 0.000 1.067 54 G CA 0.670 45.741 45.100 -0.049 0.000 0.902 54 G HN 2.289 nan 8.290 nan 0.000 0.500 55 G N -1.740 107.023 108.800 -0.061 0.000 2.357 55 G HA2 0.418 4.378 3.960 -0.000 0.000 0.289 55 G HA3 0.418 4.378 3.960 -0.000 0.000 0.289 55 G C -0.827 174.043 174.900 -0.049 0.000 1.302 55 G CA -0.554 44.506 45.100 -0.068 0.000 0.936 55 G HN 1.000 nan 8.290 nan 0.000 0.513 56 L N 1.482 122.677 121.223 -0.047 0.000 2.257 56 L HA 0.382 4.722 4.340 -0.000 0.000 0.290 56 L C -2.075 174.780 176.870 -0.024 0.000 1.044 56 L CA -1.715 53.105 54.840 -0.032 0.000 0.810 56 L CB 1.747 43.789 42.059 -0.028 0.000 1.193 56 L HN 0.202 nan 8.230 nan 0.000 0.425 57 P HA -0.079 nan 4.420 nan 0.000 0.251 57 P C -0.138 177.158 177.300 -0.007 0.000 1.154 57 P CA 0.527 63.619 63.100 -0.013 0.000 0.805 57 P CB 0.133 31.827 31.700 -0.010 0.000 0.759 58 M N 2.785 122.379 119.600 -0.010 0.000 2.248 58 M HA 0.116 4.596 4.480 -0.000 0.000 0.345 58 M C 1.642 177.943 176.300 0.001 0.000 1.243 58 M CA 1.143 56.439 55.300 -0.006 0.000 1.090 58 M CB -0.527 32.067 32.600 -0.009 0.000 1.683 58 M HN 0.782 nan 8.290 nan 0.000 0.450 59 G N 2.861 111.666 108.800 0.008 0.000 2.175 59 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.244 59 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.244 59 G C 0.139 175.053 174.900 0.023 0.000 0.982 59 G CA -0.263 44.846 45.100 0.015 0.000 0.641 59 G HN 0.550 nan 8.290 nan 0.000 0.527 60 R N -0.641 119.874 120.500 0.025 0.000 2.919 60 R HA 0.752 5.092 4.340 -0.000 0.000 0.260 60 R C -0.078 176.258 176.300 0.060 0.000 1.067 60 R CA -1.162 54.959 56.100 0.036 0.000 1.003 60 R CB 0.870 31.181 30.300 0.019 0.000 1.192 60 R HN 0.198 nan 8.270 nan 0.000 0.488 61 I N 0.973 121.592 120.570 0.082 0.000 2.353 61 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 61 I C -0.443 175.729 176.117 0.092 0.000 0.992 61 I CA -0.646 60.732 61.300 0.130 0.000 1.268 61 I CB 1.613 39.714 38.000 0.169 0.000 1.387 61 I HN -0.007 nan 8.210 nan 0.000 0.478 62 V N 6.546 126.530 119.914 0.116 0.000 2.483 62 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 62 V C -0.292 175.862 176.094 0.100 0.000 1.027 62 V CA -0.642 61.697 62.300 0.065 0.000 0.855 62 V CB 1.799 33.643 31.823 0.036 0.000 0.995 62 V HN 0.676 nan 8.190 nan 0.000 0.424 63 E N 4.850 125.069 120.200 0.031 0.000 2.151 63 E HA 0.579 4.929 4.350 -0.000 0.000 0.275 63 E C -1.318 175.281 176.600 -0.000 0.000 0.936 63 E CA -0.571 55.845 56.400 0.026 0.000 0.777 63 E CB 1.432 31.075 29.700 -0.095 0.000 1.108 63 E HN 0.630 nan 8.360 nan 0.000 0.401 64 I N 6.749 127.365 120.570 0.077 0.000 2.354 64 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 64 I C -0.618 175.626 176.117 0.211 0.000 1.007 64 I CA -0.710 60.662 61.300 0.120 0.000 1.167 64 I CB 0.682 38.747 38.000 0.109 0.000 1.320 64 I HN 0.510 nan 8.210 nan 0.000 0.458 65 Y N 4.508 124.823 120.300 0.024 0.000 2.562 65 Y HA 0.976 5.526 4.550 -0.000 0.000 0.343 65 Y C -0.056 175.851 175.900 0.012 0.000 1.025 65 Y CA -1.085 57.025 58.100 0.017 0.000 1.082 65 Y CB 2.488 40.949 38.460 0.002 0.000 1.264 65 Y HN 0.606 nan 8.280 nan 0.000 0.478 66 G N 1.350 110.110 108.800 -0.066 0.000 2.358 66 G HA2 0.266 4.226 3.960 -0.000 0.000 0.303 66 G HA3 0.266 4.226 3.960 -0.000 0.000 0.303 66 G C -3.513 171.326 174.900 -0.103 0.000 1.537 66 G CA -1.399 43.592 45.100 -0.182 0.000 0.928 66 G HN 0.467 nan 8.290 nan 0.000 0.656 67 P HA 0.098 nan 4.420 nan 0.000 0.265 67 P C 0.636 177.914 177.300 -0.038 0.000 1.167 67 P CA 0.564 63.623 63.100 -0.070 0.000 0.760 67 P CB 0.290 31.950 31.700 -0.067 0.000 0.783 68 E N 1.224 121.407 120.200 -0.028 0.000 2.425 68 E HA 0.101 4.451 4.350 -0.000 0.000 0.258 68 E C -0.298 176.290 176.600 -0.019 0.000 1.151 68 E CA -0.452 55.939 56.400 -0.015 0.000 0.958 68 E CB -0.197 29.494 29.700 -0.015 0.000 0.968 68 E HN 0.256 nan 8.360 nan 0.000 0.451 69 S N 0.254 115.944 115.700 -0.017 0.000 3.550 69 S HA -0.175 4.295 4.470 -0.000 0.000 0.372 69 S C 0.363 174.949 174.600 -0.024 0.000 0.966 69 S CA 0.896 59.078 58.200 -0.030 0.000 1.229 69 S CB -1.783 61.393 63.200 -0.041 0.000 0.917 69 S HN 0.756 nan 8.310 nan 0.000 0.496 70 S N -1.113 114.580 115.700 -0.011 0.000 2.666 70 S HA 0.534 5.004 4.470 -0.000 0.000 0.239 70 S C 1.183 175.787 174.600 0.007 0.000 1.031 70 S CA 0.550 58.744 58.200 -0.011 0.000 1.015 70 S CB 1.113 64.303 63.200 -0.017 0.000 0.981 70 S HN 2.007 nan 8.310 nan 0.000 0.547 71 G N 1.559 110.376 108.800 0.027 0.000 2.148 71 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.203 71 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.203 71 G C 0.616 175.574 174.900 0.097 0.000 0.993 71 G CA 0.282 45.424 45.100 0.070 0.000 0.661 71 G HN 0.436 nan 8.290 nan 0.000 0.518 72 K N -0.253 120.192 120.400 0.076 0.000 2.001 72 K HA -0.076 4.244 4.320 -0.000 0.000 0.214 72 K C 2.658 179.317 176.600 0.098 0.000 1.050 72 K CA 2.419 58.759 56.287 0.087 0.000 0.934 72 K CB -0.356 32.186 32.500 0.071 0.000 0.718 72 K HN 0.268 nan 8.250 nan 0.000 0.443 73 T N 0.024 114.638 114.554 0.100 0.000 2.867 73 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 73 T C 1.561 176.331 174.700 0.116 0.000 1.057 73 T CA 1.665 63.836 62.100 0.117 0.000 1.136 73 T CB -0.245 68.699 68.868 0.126 0.000 0.874 73 T HN 0.385 nan 8.240 nan 0.000 0.466 74 T N 2.443 117.084 114.554 0.145 0.000 2.643 74 T HA -0.031 4.319 4.350 -0.000 0.000 0.264 74 T C 1.893 176.636 174.700 0.071 0.000 1.045 74 T CA 1.015 63.196 62.100 0.134 0.000 1.155 74 T CB -0.647 68.343 68.868 0.204 0.000 0.863 74 T HN 0.230 nan 8.240 nan 0.000 0.420 75 L N 0.489 121.774 121.223 0.103 0.000 2.043 75 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 75 L C 2.656 179.547 176.870 0.034 0.000 1.075 75 L CA 1.627 56.514 54.840 0.077 0.000 0.752 75 L CB -0.780 41.354 42.059 0.124 0.000 0.891 75 L HN 0.309 nan 8.230 nan 0.000 0.432 76 T N 0.109 114.695 114.554 0.053 0.000 2.580 76 T HA -0.252 4.098 4.350 -0.000 0.000 0.265 76 T C 1.691 176.398 174.700 0.012 0.000 1.063 76 T CA 1.896 64.024 62.100 0.046 0.000 1.170 76 T CB -0.342 68.580 68.868 0.090 0.000 0.863 76 T HN 0.180 nan 8.240 nan 0.000 0.418 77 L N 1.295 122.514 121.223 -0.006 0.000 2.447 77 L HA -0.057 4.283 4.340 -0.000 0.000 0.225 77 L C 2.584 179.398 176.870 -0.093 0.000 1.148 77 L CA 1.310 56.104 54.840 -0.077 0.000 0.808 77 L CB -0.523 41.458 42.059 -0.130 0.000 0.928 77 L HN 0.224 nan 8.230 nan 0.000 0.448 78 Q N -1.064 118.695 119.800 -0.069 0.000 2.212 78 Q HA -0.030 4.310 4.340 -0.000 0.000 0.199 78 Q C 2.365 178.311 176.000 -0.091 0.000 0.950 78 Q CA 1.568 57.320 55.803 -0.085 0.000 0.863 78 Q CB -0.008 28.686 28.738 -0.074 0.000 0.944 78 Q HN 0.578 nan 8.270 nan 0.000 0.465 79 V N -2.152 117.719 119.914 -0.071 0.000 2.591 79 V HA -0.089 4.031 4.120 -0.000 0.000 0.249 79 V C 2.103 178.158 176.094 -0.065 0.000 1.053 79 V CA 0.970 63.226 62.300 -0.073 0.000 1.068 79 V CB -0.746 31.044 31.823 -0.054 0.000 0.689 79 V HN 0.139 nan 8.190 nan 0.000 0.462 80 I N 1.244 121.780 120.570 -0.057 0.000 2.493 80 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 80 I C 2.858 178.931 176.117 -0.073 0.000 1.160 80 I CA 1.347 62.613 61.300 -0.057 0.000 1.445 80 I CB -0.651 37.313 38.000 -0.060 0.000 1.086 80 I HN 0.391 nan 8.210 nan 0.000 0.433 81 A N 1.175 123.944 122.820 -0.086 0.000 1.832 81 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 81 A C 2.603 180.138 177.584 -0.081 0.000 1.204 81 A CA 1.614 53.599 52.037 -0.086 0.000 0.606 81 A CB -0.971 17.973 19.000 -0.094 0.000 0.849 81 A HN 0.369 nan 8.150 nan 0.000 0.445 82 A N -0.375 122.387 122.820 -0.097 0.000 1.978 82 A HA 0.114 4.434 4.320 -0.000 0.000 0.220 82 A C 2.383 179.915 177.584 -0.086 0.000 1.170 82 A CA 2.276 54.248 52.037 -0.109 0.000 0.636 82 A CB -0.816 18.093 19.000 -0.151 0.000 0.810 82 A HN 1.075 nan 8.150 nan 0.000 0.448 83 A N -1.673 121.104 122.820 -0.072 0.000 1.975 83 A HA 0.009 4.329 4.320 -0.000 0.000 0.215 83 A C 2.043 179.599 177.584 -0.047 0.000 1.170 83 A CA 1.558 53.562 52.037 -0.056 0.000 0.656 83 A CB -0.306 18.666 19.000 -0.048 0.000 0.821 83 A HN 0.455 nan 8.150 nan 0.000 0.449 84 Q N -0.242 119.528 119.800 -0.049 0.000 2.291 84 Q HA 0.004 4.344 4.340 -0.000 0.000 0.205 84 Q C 1.755 177.732 176.000 -0.038 0.000 0.970 84 Q CA 1.123 56.900 55.803 -0.043 0.000 0.876 84 Q CB -0.213 28.494 28.738 -0.051 0.000 0.935 84 Q HN 0.575 nan 8.270 nan 0.000 0.455 85 R N -0.020 120.455 120.500 -0.042 0.000 2.555 85 R HA 0.118 4.458 4.340 -0.000 0.000 0.272 85 R C -0.289 175.991 176.300 -0.033 0.000 1.089 85 R CA 0.251 56.330 56.100 -0.035 0.000 1.126 85 R CB 0.210 30.488 30.300 -0.037 0.000 1.250 85 R HN 0.110 nan 8.270 nan 0.000 0.551 86 E N -1.539 118.641 120.200 -0.032 0.000 3.293 86 E HA 0.148 4.498 4.350 -0.000 0.000 0.174 86 E C 0.314 176.900 176.600 -0.023 0.000 0.958 86 E CA 0.220 56.603 56.400 -0.028 0.000 1.352 86 E CB 1.276 30.956 29.700 -0.034 0.000 1.066 86 E HN 0.449 nan 8.360 nan 0.000 0.448 87 G N 2.232 111.019 108.800 -0.020 0.000 5.155 87 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.239 87 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.239 87 G C 0.137 175.028 174.900 -0.016 0.000 1.409 87 G CA 0.100 45.190 45.100 -0.016 0.000 0.927 87 G HN 0.204 nan 8.290 nan 0.000 0.710 88 K N 3.288 123.678 120.400 -0.016 0.000 4.321 88 K HA -0.126 4.194 4.320 -0.000 0.000 0.255 88 K C 1.029 177.621 176.600 -0.014 0.000 0.855 88 K CA 1.544 57.822 56.287 -0.015 0.000 0.904 88 K CB -1.906 30.581 32.500 -0.021 0.000 1.921 88 K HN 1.234 nan 8.250 nan 0.000 0.419 89 T N -0.794 113.755 114.554 -0.008 0.000 2.916 89 T HA 0.204 4.554 4.350 -0.000 0.000 0.303 89 T C 0.643 175.342 174.700 -0.001 0.000 1.025 89 T CA -0.797 61.301 62.100 -0.005 0.000 1.142 89 T CB 0.795 69.664 68.868 0.001 0.000 0.947 89 T HN 0.451 nan 8.240 nan 0.000 0.544 90 C N 2.416 121.717 119.300 0.001 0.000 2.614 90 C HA 0.887 5.347 4.460 -0.000 0.000 0.320 90 C C 0.510 175.519 174.990 0.031 0.000 1.200 90 C CA -0.632 58.392 59.018 0.009 0.000 1.700 90 C CB 1.138 28.879 27.740 0.001 0.000 2.275 90 C HN 1.219 nan 8.230 nan 0.000 0.492 91 A N 1.805 124.649 122.820 0.041 0.000 2.342 91 A HA 0.827 5.147 4.320 -0.000 0.000 0.323 91 A C -1.216 176.441 177.584 0.120 0.000 1.125 91 A CA -0.233 51.842 52.037 0.063 0.000 0.785 91 A CB 0.669 19.679 19.000 0.017 0.000 1.221 91 A HN 0.799 nan 8.150 nan 0.000 0.463 92 F N 4.690 124.613 119.950 -0.045 0.000 2.434 92 F HA 0.457 4.984 4.527 -0.000 0.000 0.367 92 F C -0.601 175.178 175.800 -0.035 0.000 1.093 92 F CA -1.283 56.685 58.000 -0.052 0.000 1.085 92 F CB 0.914 39.885 39.000 -0.049 0.000 1.322 92 F HN 0.402 nan 8.300 nan 0.000 0.452 93 I N 4.119 124.447 120.570 -0.404 0.000 2.347 93 I HA 0.140 4.310 4.170 -0.000 0.000 0.294 93 I C -0.265 175.533 176.117 -0.532 0.000 1.090 93 I CA -0.064 61.025 61.300 -0.352 0.000 1.314 93 I CB 0.157 37.978 38.000 -0.300 0.000 1.423 93 I HN 0.487 nan 8.210 nan 0.000 0.503 94 D N 5.242 125.435 120.400 -0.344 0.000 2.381 94 D HA 0.608 5.248 4.640 -0.000 0.000 0.235 94 D C 0.355 176.546 176.300 -0.181 0.000 1.068 94 D CA -0.390 53.435 54.000 -0.292 0.000 0.832 94 D CB 1.799 42.656 40.800 0.095 0.000 1.101 94 D HN 0.592 nan 8.370 nan 0.000 0.515 95 A N 3.808 126.494 122.820 -0.224 0.000 2.456 95 A HA 0.121 4.441 4.320 -0.000 0.000 0.237 95 A C 1.490 178.852 177.584 -0.370 0.000 1.217 95 A CA -0.216 51.677 52.037 -0.239 0.000 0.962 95 A CB 0.193 19.200 19.000 0.013 0.000 1.079 95 A HN 0.528 nan 8.150 nan 0.000 0.536 96 E N 0.131 120.196 120.200 -0.224 0.000 2.158 96 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 96 E C -0.412 176.187 176.600 -0.002 0.000 0.982 96 E CA 0.766 57.116 56.400 -0.083 0.000 0.823 96 E CB -0.332 29.386 29.700 0.030 0.000 0.766 96 E HN 0.794 nan 8.360 nan 0.000 0.468 97 H N -1.192 117.999 119.070 0.202 0.000 2.770 97 H HA -0.205 4.351 4.556 -0.000 0.000 0.309 97 H C 0.678 176.217 175.328 0.351 0.000 1.206 97 H CA 0.033 56.225 56.048 0.241 0.000 1.147 97 H CB -1.463 28.325 29.762 0.043 0.000 1.422 97 H HN 0.275 nan 8.280 nan 0.000 0.420 98 A N 0.682 123.783 122.820 0.469 0.000 2.984 98 A HA 0.494 4.814 4.320 -0.000 0.000 0.212 98 A C 0.941 178.705 177.584 0.301 0.000 2.164 98 A CA 0.136 52.368 52.037 0.325 0.000 0.982 98 A CB -0.104 19.014 19.000 0.196 0.000 1.352 98 A HN 0.818 nan 8.150 nan 0.000 0.491 99 L N 0.517 121.814 121.223 0.123 0.000 3.319 99 L HA -0.168 4.172 4.340 -0.000 0.000 0.534 99 L C -1.258 175.546 176.870 -0.109 0.000 1.001 99 L CA 0.662 55.421 54.840 -0.135 0.000 1.233 99 L CB -1.283 40.426 42.059 -0.584 0.000 1.030 99 L HN 0.548 nan 8.230 nan 0.000 0.588 100 D N 8.139 128.527 120.400 -0.021 0.000 2.380 100 D HA 0.360 5.000 4.640 -0.000 0.000 0.230 100 D C -1.359 174.931 176.300 -0.016 0.000 1.154 100 D CA -1.706 52.314 54.000 0.034 0.000 0.859 100 D CB 1.152 42.003 40.800 0.086 0.000 1.045 100 D HN 0.447 nan 8.370 nan 0.000 0.495 101 P HA -0.201 nan 4.420 nan 0.000 0.217 101 P C 1.538 178.821 177.300 -0.028 0.000 1.151 101 P CA 0.911 63.970 63.100 -0.068 0.000 0.849 101 P CB 0.399 32.100 31.700 0.003 0.000 0.787 102 I N -1.482 119.105 120.570 0.028 0.000 2.233 102 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 102 I C 2.738 178.895 176.117 0.066 0.000 1.093 102 I CA 1.219 62.546 61.300 0.044 0.000 1.380 102 I CB -1.943 36.095 38.000 0.063 0.000 1.067 102 I HN -0.065 nan 8.210 nan 0.000 0.413 103 Y N 2.225 122.502 120.300 -0.040 0.000 2.207 103 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 103 Y C 2.673 178.538 175.900 -0.059 0.000 1.156 103 Y CA 1.922 59.996 58.100 -0.042 0.000 1.182 103 Y CB 0.017 38.447 38.460 -0.049 0.000 0.979 103 Y HN 0.138 nan 8.280 nan 0.000 0.521 104 A N 0.506 123.249 122.820 -0.128 0.000 1.877 104 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 104 A C 2.261 179.730 177.584 -0.191 0.000 1.186 104 A CA 1.814 53.715 52.037 -0.228 0.000 0.620 104 A CB -0.815 18.057 19.000 -0.213 0.000 0.822 104 A HN 0.545 nan 8.150 nan 0.000 0.443 105 R N -0.256 120.174 120.500 -0.117 0.000 2.091 105 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 105 R C 1.965 178.214 176.300 -0.086 0.000 1.136 105 R CA 1.953 58.003 56.100 -0.083 0.000 0.959 105 R CB -0.182 30.092 30.300 -0.043 0.000 0.856 105 R HN 0.512 nan 8.270 nan 0.000 0.437 106 K N -0.147 120.197 120.400 -0.093 0.000 2.366 106 K HA -0.008 4.312 4.320 -0.000 0.000 0.198 106 K C 1.820 178.342 176.600 -0.130 0.000 1.044 106 K CA 0.526 56.766 56.287 -0.078 0.000 0.973 106 K CB 0.172 32.656 32.500 -0.028 0.000 0.767 106 K HN 0.198 nan 8.250 nan 0.000 0.475 107 L N -0.496 120.588 121.223 -0.232 0.000 2.240 107 L HA 0.001 4.341 4.340 -0.000 0.000 0.211 107 L C 0.974 177.763 176.870 -0.135 0.000 1.106 107 L CA 0.801 55.502 54.840 -0.232 0.000 0.793 107 L CB 0.116 41.955 42.059 -0.367 0.000 0.927 107 L HN 0.446 nan 8.230 nan 0.000 0.446 108 G N -0.081 108.647 108.800 -0.119 0.000 2.186 108 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.130 108 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.130 108 G C -0.320 174.530 174.900 -0.084 0.000 1.031 108 G CA -0.375 44.678 45.100 -0.079 0.000 0.697 108 G HN -0.002 nan 8.290 nan 0.000 0.494 109 V N 0.593 120.444 119.914 -0.105 0.000 2.439 109 V HA 0.450 4.570 4.120 -0.000 0.000 0.282 109 V C 0.372 176.415 176.094 -0.085 0.000 1.039 109 V CA -0.866 61.371 62.300 -0.104 0.000 0.913 109 V CB 1.847 33.585 31.823 -0.142 0.000 0.983 109 V HN 0.310 nan 8.190 nan 0.000 0.460 110 D N 4.084 124.444 120.400 -0.067 0.000 2.398 110 D HA 0.085 4.725 4.640 -0.000 0.000 0.250 110 D C 1.042 177.306 176.300 -0.059 0.000 1.287 110 D CA -0.070 53.899 54.000 -0.052 0.000 0.992 110 D CB 0.526 41.303 40.800 -0.038 0.000 1.071 110 D HN 0.297 nan 8.370 nan 0.000 0.514 111 I N 2.513 123.044 120.570 -0.065 0.000 2.252 111 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 111 I C 1.408 177.499 176.117 -0.042 0.000 1.102 111 I CA 0.992 62.247 61.300 -0.074 0.000 1.385 111 I CB -0.748 37.206 38.000 -0.077 0.000 1.064 111 I HN 0.296 nan 8.210 nan 0.000 0.414 112 D N 0.363 120.748 120.400 -0.025 0.000 2.354 112 D HA -0.163 4.477 4.640 -0.000 0.000 0.216 112 D C 1.454 177.750 176.300 -0.006 0.000 0.970 112 D CA 0.814 54.809 54.000 -0.009 0.000 0.905 112 D CB -0.277 40.520 40.800 -0.005 0.000 0.903 112 D HN 0.292 nan 8.370 nan 0.000 0.508 113 N N 0.138 118.830 118.700 -0.014 0.000 2.416 113 N HA 0.082 4.822 4.740 -0.000 0.000 0.267 113 N C -1.039 174.465 175.510 -0.011 0.000 1.294 113 N CA -0.127 52.918 53.050 -0.009 0.000 0.891 113 N CB 0.631 39.111 38.487 -0.012 0.000 1.238 113 N HN 0.081 nan 8.380 nan 0.000 0.508 114 L N 1.871 123.085 121.223 -0.014 0.000 2.334 114 L HA 0.559 4.899 4.340 -0.000 0.000 0.276 114 L C -0.728 176.155 176.870 0.022 0.000 1.014 114 L CA -0.543 54.288 54.840 -0.014 0.000 0.815 114 L CB 2.044 44.063 42.059 -0.066 0.000 1.268 114 L HN 0.000 nan 8.230 nan 0.000 0.428 115 L N 4.471 125.723 121.223 0.047 0.000 2.282 115 L HA 0.468 4.808 4.340 -0.000 0.000 0.288 115 L C 0.006 176.960 176.870 0.141 0.000 1.033 115 L CA -0.657 54.229 54.840 0.078 0.000 0.807 115 L CB 1.389 43.484 42.059 0.060 0.000 1.209 115 L HN 0.658 nan 8.230 nan 0.000 0.423 116 C N 0.976 120.380 119.300 0.173 0.000 2.529 116 C HA 0.842 5.302 4.460 -0.000 0.000 0.329 116 C C 0.242 175.338 174.990 0.178 0.000 1.194 116 C CA -0.511 58.672 59.018 0.276 0.000 1.779 116 C CB 1.557 29.539 27.740 0.403 0.000 2.322 116 C HN 0.822 nan 8.230 nan 0.000 0.500 117 S N 3.610 119.389 115.700 0.132 0.000 2.594 117 S HA 0.400 4.870 4.470 -0.000 0.000 0.322 117 S C -0.539 174.103 174.600 0.071 0.000 1.085 117 S CA -0.331 57.899 58.200 0.050 0.000 1.116 117 S CB 1.007 64.184 63.200 -0.038 0.000 0.979 117 S HN 0.820 nan 8.310 nan 0.000 0.465 118 Q N 2.568 122.427 119.800 0.098 0.000 2.963 118 Q HA 0.261 4.601 4.340 -0.000 0.000 0.262 118 Q C -2.457 173.619 176.000 0.126 0.000 1.318 118 Q CA -1.744 54.143 55.803 0.139 0.000 1.089 118 Q CB -0.001 28.817 28.738 0.134 0.000 1.424 118 Q HN 0.439 nan 8.270 nan 0.000 0.560 119 P HA 0.028 nan 4.420 nan 0.000 0.272 119 P C 0.524 177.914 177.300 0.150 0.000 1.240 119 P CA -0.247 62.886 63.100 0.054 0.000 0.791 119 P CB 1.091 32.784 31.700 -0.012 0.000 0.978 120 D N -0.858 119.588 120.400 0.076 0.000 2.305 120 D HA -0.008 4.632 4.640 -0.000 0.000 0.206 120 D C 0.105 176.423 176.300 0.030 0.000 0.974 120 D CA 1.030 55.094 54.000 0.108 0.000 0.871 120 D CB 0.611 41.432 40.800 0.035 0.000 0.947 120 D HN 0.528 nan 8.370 nan 0.000 0.516 121 T N -5.437 109.060 114.554 -0.095 0.000 2.769 121 T HA 0.419 4.769 4.350 -0.000 0.000 0.306 121 T C 1.118 175.681 174.700 -0.228 0.000 1.400 121 T CA -0.208 61.734 62.100 -0.264 0.000 1.007 121 T CB 1.021 69.808 68.868 -0.134 0.000 1.392 121 T HN -0.193 nan 8.240 nan 0.000 0.500 122 G N 0.138 108.781 108.800 -0.263 0.000 2.408 122 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.217 122 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.217 122 G C 1.020 175.863 174.900 -0.094 0.000 1.150 122 G CA 1.041 46.049 45.100 -0.153 0.000 0.776 122 G HN 0.798 nan 8.290 nan 0.000 0.542 123 E N 0.084 120.234 120.200 -0.083 0.000 2.000 123 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 123 E C 2.473 179.035 176.600 -0.062 0.000 1.011 123 E CA 1.450 57.823 56.400 -0.045 0.000 0.836 123 E CB -0.475 29.215 29.700 -0.016 0.000 0.778 123 E HN 0.531 nan 8.360 nan 0.000 0.462 124 Q N 0.060 119.816 119.800 -0.074 0.000 2.182 124 Q HA -0.336 4.004 4.340 -0.000 0.000 0.213 124 Q C 1.992 177.810 176.000 -0.303 0.000 1.000 124 Q CA 2.210 57.904 55.803 -0.183 0.000 0.889 124 Q CB -0.315 28.341 28.738 -0.136 0.000 0.932 124 Q HN 0.307 nan 8.270 nan 0.000 0.415 125 A N 0.887 123.593 122.820 -0.191 0.000 1.841 125 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 125 A C 1.936 179.435 177.584 -0.142 0.000 1.199 125 A CA 1.503 53.440 52.037 -0.166 0.000 0.621 125 A CB -0.942 17.996 19.000 -0.104 0.000 0.835 125 A HN 0.510 nan 8.150 nan 0.000 0.445 126 L N -0.744 120.433 121.223 -0.077 0.000 2.786 126 L HA -0.076 4.264 4.340 -0.000 0.000 0.250 126 L C 1.728 178.585 176.870 -0.022 0.000 1.151 126 L CA 0.671 55.500 54.840 -0.017 0.000 0.910 126 L CB -0.287 41.783 42.059 0.019 0.000 1.082 126 L HN 0.575 nan 8.230 nan 0.000 0.433 127 E N -1.208 118.939 120.200 -0.088 0.000 2.441 127 E HA 0.080 4.430 4.350 -0.000 0.000 0.212 127 E C 2.013 178.559 176.600 -0.089 0.000 0.840 127 E CA -0.030 56.351 56.400 -0.031 0.000 1.143 127 E CB 0.469 30.213 29.700 0.074 0.000 1.153 127 E HN 0.383 nan 8.360 nan 0.000 0.539 128 I N 1.550 121.936 120.570 -0.306 0.000 2.286 128 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 128 I C 2.616 178.677 176.117 -0.093 0.000 1.104 128 I CA 0.819 61.959 61.300 -0.266 0.000 1.397 128 I CB -0.280 37.499 38.000 -0.370 0.000 1.072 128 I HN 0.350 nan 8.210 nan 0.000 0.417 129 C N -0.510 118.730 119.300 -0.099 0.000 2.422 129 C HA -0.161 4.299 4.460 -0.000 0.000 0.279 129 C C 2.484 177.466 174.990 -0.012 0.000 1.305 129 C CA 0.511 59.489 59.018 -0.066 0.000 1.757 129 C CB -1.009 26.670 27.740 -0.103 0.000 1.962 129 C HN 0.504 nan 8.230 nan 0.000 0.499 130 D N 1.664 122.071 120.400 0.012 0.000 2.097 130 D HA -0.063 4.577 4.640 -0.000 0.000 0.197 130 D C 2.433 178.768 176.300 0.059 0.000 0.984 130 D CA 2.011 56.039 54.000 0.048 0.000 0.826 130 D CB -0.291 40.547 40.800 0.065 0.000 0.973 130 D HN 0.537 nan 8.370 nan 0.000 0.460 131 A N 0.526 123.394 122.820 0.081 0.000 1.978 131 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 131 A C 2.537 180.163 177.584 0.069 0.000 1.170 131 A CA 0.951 53.051 52.037 0.104 0.000 0.636 131 A CB -0.655 18.458 19.000 0.189 0.000 0.810 131 A HN 0.348 nan 8.150 nan 0.000 0.448 132 L N -1.174 120.076 121.223 0.046 0.000 2.179 132 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 132 L C 3.012 179.898 176.870 0.027 0.000 1.096 132 L CA 0.697 55.556 54.840 0.032 0.000 0.779 132 L CB -0.518 41.551 42.059 0.016 0.000 0.922 132 L HN 0.402 nan 8.230 nan 0.000 0.443 133 A N 0.461 123.298 122.820 0.028 0.000 1.908 133 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 133 A C 2.419 180.022 177.584 0.031 0.000 1.181 133 A CA 1.553 53.607 52.037 0.029 0.000 0.627 133 A CB -0.446 18.576 19.000 0.038 0.000 0.818 133 A HN 0.319 nan 8.150 nan 0.000 0.445 134 R N -0.314 120.208 120.500 0.036 0.000 2.092 134 R HA -0.007 4.333 4.340 -0.000 0.000 0.231 134 R C 1.219 177.536 176.300 0.028 0.000 1.119 134 R CA 1.205 57.326 56.100 0.034 0.000 0.970 134 R CB -0.282 30.042 30.300 0.039 0.000 0.864 134 R HN 0.371 nan 8.270 nan 0.000 0.440 135 S N 0.377 116.095 115.700 0.029 0.000 2.967 135 S HA 0.108 4.578 4.470 -0.000 0.000 0.254 135 S C 1.109 175.721 174.600 0.020 0.000 1.089 135 S CA 0.382 58.597 58.200 0.025 0.000 1.183 135 S CB -0.053 63.164 63.200 0.030 0.000 0.848 135 S HN 0.662 nan 8.310 nan 0.000 0.477 136 G N 2.085 110.895 108.800 0.018 0.000 5.001 136 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.306 136 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.306 136 G C 0.577 175.483 174.900 0.010 0.000 1.491 136 G CA 0.242 45.350 45.100 0.013 0.000 1.324 136 G HN 1.048 nan 8.290 nan 0.000 0.829 137 A N 0.102 122.928 122.820 0.010 0.000 3.245 137 A HA 0.677 4.997 4.320 -0.000 0.000 0.282 137 A C -0.201 177.388 177.584 0.009 0.000 1.417 137 A CA 0.378 52.419 52.037 0.007 0.000 1.149 137 A CB 0.390 19.394 19.000 0.006 0.000 1.155 137 A HN 1.211 nan 8.150 nan 0.000 0.602 138 V N 1.243 121.162 119.914 0.009 0.000 2.447 138 V HA 0.208 4.328 4.120 -0.000 0.000 0.292 138 V C 0.017 176.113 176.094 0.004 0.000 1.021 138 V CA -0.469 61.836 62.300 0.008 0.000 0.850 138 V CB 1.562 33.393 31.823 0.013 0.000 1.005 138 V HN 0.733 nan 8.190 nan 0.000 0.426 139 D N 2.295 122.695 120.400 0.000 0.000 2.202 139 D HA 0.058 4.698 4.640 -0.000 0.000 0.214 139 D C 0.422 176.718 176.300 -0.007 0.000 0.967 139 D CA 1.459 55.457 54.000 -0.004 0.000 0.871 139 D CB 1.254 42.050 40.800 -0.008 0.000 1.020 139 D HN 0.384 nan 8.370 nan 0.000 0.474 140 V N 1.232 121.141 119.914 -0.009 0.000 2.577 140 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 140 V C -1.247 174.838 176.094 -0.015 0.000 1.042 140 V CA -0.711 61.581 62.300 -0.013 0.000 0.872 140 V CB 1.946 33.759 31.823 -0.016 0.000 0.998 140 V HN -0.080 nan 8.190 nan 0.000 0.423 141 I N 6.357 126.906 120.570 -0.035 0.000 2.412 141 I HA 0.556 4.726 4.170 -0.000 0.000 0.296 141 I C -0.763 175.288 176.117 -0.111 0.000 0.987 141 I CA -0.868 60.393 61.300 -0.065 0.000 1.180 141 I CB 2.080 40.027 38.000 -0.089 0.000 1.340 141 I HN 0.390 nan 8.210 nan 0.000 0.455 142 V N 6.944 126.792 119.914 -0.110 0.000 2.483 142 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 142 V C -0.331 175.557 176.094 -0.343 0.000 1.027 142 V CA -0.621 61.586 62.300 -0.155 0.000 0.855 142 V CB 2.309 34.153 31.823 0.034 0.000 0.995 142 V HN 0.463 nan 8.190 nan 0.000 0.424 143 V N 1.813 121.464 119.914 -0.439 0.000 2.398 143 V HA 0.746 4.866 4.120 -0.000 0.000 0.286 143 V C -0.694 175.189 176.094 -0.352 0.000 1.026 143 V CA -0.524 61.485 62.300 -0.485 0.000 0.868 143 V CB 1.673 33.093 31.823 -0.671 0.000 0.982 143 V HN 0.847 nan 8.190 nan 0.000 0.443 144 D N 2.692 122.859 120.400 -0.388 0.000 2.386 144 D HA 0.561 5.201 4.640 -0.000 0.000 0.247 144 D C -0.727 175.463 176.300 -0.183 0.000 1.336 144 D CA 0.247 54.084 54.000 -0.272 0.000 0.976 144 D CB 1.795 42.347 40.800 -0.414 0.000 1.257 144 D HN 0.838 nan 8.370 nan 0.000 0.570 145 S N 2.072 117.727 115.700 -0.075 0.000 2.627 145 S HA 0.390 4.860 4.470 -0.000 0.000 0.283 145 S C 1.162 175.786 174.600 0.040 0.000 1.127 145 S CA -0.631 57.559 58.200 -0.018 0.000 0.863 145 S CB 1.372 64.580 63.200 0.012 0.000 1.121 145 S HN 0.056 nan 8.310 nan 0.000 0.479 146 V N 2.700 122.674 119.914 0.101 0.000 2.277 146 V HA -0.259 3.861 4.120 -0.000 0.000 0.253 146 V C 2.900 179.036 176.094 0.071 0.000 1.067 146 V CA 2.838 65.215 62.300 0.127 0.000 1.047 146 V CB -1.548 30.352 31.823 0.128 0.000 0.649 146 V HN 0.936 nan 8.190 nan 0.000 0.447 147 A N -0.404 122.450 122.820 0.057 0.000 1.933 147 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 147 A C 2.215 179.832 177.584 0.055 0.000 1.175 147 A CA 1.954 54.018 52.037 0.044 0.000 0.628 147 A CB -0.585 18.436 19.000 0.036 0.000 0.814 147 A HN 0.671 nan 8.150 nan 0.000 0.444 148 A N -1.364 121.494 122.820 0.063 0.000 2.251 148 A HA 0.407 4.727 4.320 -0.000 0.000 0.209 148 A C 0.598 178.267 177.584 0.142 0.000 1.187 148 A CA 0.006 52.109 52.037 0.110 0.000 0.823 148 A CB -0.199 18.845 19.000 0.074 0.000 0.846 148 A HN 0.274 nan 8.150 nan 0.000 0.486 149 L N 2.659 123.922 121.223 0.068 0.000 2.416 149 L HA 0.113 4.453 4.340 -0.000 0.000 0.243 149 L C 0.846 177.704 176.870 -0.021 0.000 1.373 149 L CA 0.454 55.306 54.840 0.020 0.000 1.227 149 L CB -1.279 40.799 42.059 0.032 0.000 1.428 149 L HN 0.358 nan 8.230 nan 0.000 0.425 150 T N -0.220 114.306 114.554 -0.048 0.000 2.761 150 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 150 T C -2.314 172.290 174.700 -0.160 0.000 0.934 150 T CA -1.858 60.200 62.100 -0.071 0.000 1.091 150 T CB 0.521 69.385 68.868 -0.006 0.000 0.896 150 T HN 0.102 nan 8.240 nan 0.000 0.515 151 P HA 0.037 nan 4.420 nan 0.000 0.266 151 P C 0.915 178.151 177.300 -0.106 0.000 1.186 151 P CA -0.295 62.753 63.100 -0.087 0.000 0.767 151 P CB 0.608 32.279 31.700 -0.048 0.000 0.820 152 K N 2.526 122.876 120.400 -0.084 0.000 2.152 152 K HA -0.212 4.108 4.320 -0.000 0.000 0.206 152 K C 1.765 178.339 176.600 -0.042 0.000 1.048 152 K CA 1.620 57.871 56.287 -0.060 0.000 0.933 152 K CB -0.474 32.014 32.500 -0.020 0.000 0.721 152 K HN 0.481 nan 8.250 nan 0.000 0.447 153 A N 1.474 124.272 122.820 -0.036 0.000 1.851 153 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 153 A C 1.919 179.482 177.584 -0.035 0.000 1.195 153 A CA 1.837 53.857 52.037 -0.028 0.000 0.622 153 A CB -0.638 18.349 19.000 -0.022 0.000 0.831 153 A HN 0.440 nan 8.150 nan 0.000 0.444 154 E N -0.559 119.619 120.200 -0.038 0.000 2.118 154 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 154 E C 1.951 178.522 176.600 -0.048 0.000 0.992 154 E CA 1.270 57.652 56.400 -0.029 0.000 0.804 154 E CB -0.300 29.390 29.700 -0.017 0.000 0.741 154 E HN 0.714 nan 8.360 nan 0.000 0.458 155 I N 0.931 121.455 120.570 -0.077 0.000 2.113 155 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 155 I C 1.879 177.901 176.117 -0.158 0.000 1.070 155 I CA 1.391 62.625 61.300 -0.110 0.000 1.332 155 I CB -0.220 37.703 38.000 -0.127 0.000 1.044 155 I HN 0.044 nan 8.210 nan 0.000 0.402 156 E N 0.338 120.468 120.200 -0.117 0.000 2.511 156 E HA 0.069 4.419 4.350 -0.000 0.000 0.196 156 E C 0.716 177.255 176.600 -0.102 0.000 1.066 156 E CA 0.462 56.784 56.400 -0.130 0.000 0.871 156 E CB 0.247 29.936 29.700 -0.018 0.000 0.863 156 E HN 0.647 nan 8.360 nan 0.000 0.520 157 G N 0.651 109.399 108.800 -0.087 0.000 2.321 157 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.219 157 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.219 157 G C -0.195 174.679 174.900 -0.043 0.000 1.057 157 G CA -0.398 44.660 45.100 -0.069 0.000 0.849 157 G HN 0.184 nan 8.290 nan 0.000 0.520 158 E N -1.205 118.974 120.200 -0.035 0.000 2.777 158 E HA 0.502 4.852 4.350 -0.000 0.000 0.103 158 E C -0.317 176.273 176.600 -0.017 0.000 1.454 158 E CA -0.942 55.443 56.400 -0.025 0.000 0.881 158 E CB 0.813 30.497 29.700 -0.027 0.000 1.988 158 E HN 0.101 nan 8.360 nan 0.000 0.584 159 I N 0.490 121.044 120.570 -0.026 0.000 2.720 159 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 159 I C -0.040 176.032 176.117 -0.075 0.000 1.090 159 I CA 0.520 61.790 61.300 -0.050 0.000 1.384 159 I CB 1.015 38.984 38.000 -0.050 0.000 1.420 159 I HN 0.546 nan 8.210 nan 0.000 0.575 160 G N 3.869 112.564 108.800 -0.175 0.000 3.594 160 G HA2 0.171 4.131 3.960 -0.000 0.000 0.295 160 G HA3 0.171 4.131 3.960 -0.000 0.000 0.295 160 G C -0.619 174.010 174.900 -0.452 0.000 1.576 160 G CA -0.263 44.596 45.100 -0.403 0.000 0.661 160 G HN 0.602 nan 8.290 nan 0.000 0.452 161 D N 0.459 120.723 120.400 -0.226 0.000 2.474 161 D HA 0.098 4.738 4.640 -0.000 0.000 0.213 161 D C 1.403 177.654 176.300 -0.081 0.000 1.120 161 D CA 0.438 54.349 54.000 -0.150 0.000 0.836 161 D CB 0.793 41.536 40.800 -0.095 0.000 1.019 161 D HN 0.285 nan 8.370 nan 0.000 0.507 162 S N 0.068 115.728 115.700 -0.065 0.000 2.222 162 S HA 0.251 4.721 4.470 -0.000 0.000 0.173 162 S C 0.901 175.517 174.600 0.027 0.000 1.466 162 S CA -0.740 57.452 58.200 -0.013 0.000 1.184 162 S CB 0.452 63.647 63.200 -0.009 0.000 1.168 162 S HN 0.066 nan 8.310 nan 0.000 0.475 163 H N 2.820 121.884 119.070 -0.011 0.000 2.685 163 H HA -0.007 4.549 4.556 -0.000 0.000 0.296 163 H C 0.821 176.143 175.328 -0.011 0.000 1.042 163 H CA 1.454 57.495 56.048 -0.011 0.000 1.090 163 H CB 0.018 29.774 29.762 -0.010 0.000 1.458 163 H HN 0.418 nan 8.280 nan 0.000 0.700 164 M N 0.656 120.338 119.600 0.137 0.000 3.568 164 M HA 0.161 4.641 4.480 -0.000 0.000 0.213 164 M C 0.539 176.858 176.300 0.032 0.000 1.256 164 M CA 0.204 55.534 55.300 0.050 0.000 1.418 164 M CB 0.157 32.759 32.600 0.004 0.000 1.102 164 M HN 0.414 nan 8.290 nan 0.000 0.599 165 G N -0.461 108.358 108.800 0.031 0.000 3.873 165 G HA2 0.189 4.149 3.960 -0.000 0.000 0.232 165 G HA3 0.189 4.149 3.960 -0.000 0.000 0.232 165 G C 0.911 175.812 174.900 0.002 0.000 1.097 165 G CA -0.108 44.999 45.100 0.013 0.000 0.889 165 G HN 0.485 nan 8.290 nan 0.000 0.532 166 L N 0.602 121.828 121.223 0.004 0.000 2.341 166 L HA 0.187 4.527 4.340 -0.000 0.000 0.214 166 L C 2.985 179.845 176.870 -0.016 0.000 1.115 166 L CA 1.086 55.922 54.840 -0.007 0.000 0.820 166 L CB 0.006 42.062 42.059 -0.005 0.000 0.944 166 L HN 0.252 nan 8.230 nan 0.000 0.452 167 A N 0.187 122.999 122.820 -0.015 0.000 1.898 167 A HA 0.011 4.331 4.320 -0.000 0.000 0.214 167 A C 2.460 180.022 177.584 -0.035 0.000 1.183 167 A CA 1.143 53.166 52.037 -0.023 0.000 0.622 167 A CB -0.555 18.436 19.000 -0.015 0.000 0.824 167 A HN 0.307 nan 8.150 nan 0.000 0.444 168 A N -0.733 122.068 122.820 -0.031 0.000 2.186 168 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 168 A C 2.139 179.692 177.584 -0.052 0.000 1.159 168 A CA 1.428 53.440 52.037 -0.042 0.000 0.680 168 A CB -0.358 18.627 19.000 -0.026 0.000 0.787 168 A HN 0.526 nan 8.150 nan 0.000 0.467 169 R N -2.087 118.386 120.500 -0.043 0.000 2.250 169 R HA 0.254 4.594 4.340 -0.000 0.000 0.194 169 R C 2.072 178.342 176.300 -0.049 0.000 0.927 169 R CA 0.536 56.609 56.100 -0.045 0.000 1.052 169 R CB -0.178 30.103 30.300 -0.031 0.000 1.055 169 R HN 0.634 nan 8.270 nan 0.000 0.537 170 M N 0.375 119.948 119.600 -0.044 0.000 2.229 170 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 170 M C 1.618 177.881 176.300 -0.061 0.000 1.063 170 M CA 1.399 56.673 55.300 -0.043 0.000 1.114 170 M CB 0.159 32.737 32.600 -0.037 0.000 1.387 170 M HN 0.069 nan 8.290 nan 0.000 0.420 171 M N -0.371 119.180 119.600 -0.082 0.000 2.091 171 M HA -0.184 4.296 4.480 -0.000 0.000 0.259 171 M C 2.373 178.573 176.300 -0.167 0.000 1.076 171 M CA 1.729 56.949 55.300 -0.132 0.000 1.111 171 M CB -1.658 30.850 32.600 -0.154 0.000 1.291 171 M HN 0.328 nan 8.290 nan 0.000 0.417 172 S N -0.182 115.424 115.700 -0.156 0.000 2.444 172 S HA -0.228 4.242 4.470 -0.000 0.000 0.244 172 S C 1.630 176.147 174.600 -0.138 0.000 1.025 172 S CA 1.580 59.678 58.200 -0.169 0.000 0.995 172 S CB -0.073 63.064 63.200 -0.106 0.000 0.781 172 S HN 0.393 nan 8.310 nan 0.000 0.496 173 Q N 0.862 120.604 119.800 -0.096 0.000 1.447 173 Q HA 0.374 4.714 4.340 -0.000 0.000 0.583 173 Q C 1.654 177.625 176.000 -0.049 0.000 0.915 173 Q CA 1.302 57.071 55.803 -0.056 0.000 0.902 173 Q CB -0.552 28.164 28.738 -0.036 0.000 0.981 173 Q HN 0.393 nan 8.270 nan 0.000 0.359 174 A N 0.073 122.876 122.820 -0.029 0.000 2.150 174 A HA -0.020 4.300 4.320 -0.000 0.000 0.220 174 A C 1.192 178.771 177.584 -0.008 0.000 1.356 174 A CA 0.384 52.420 52.037 -0.002 0.000 1.145 174 A CB -0.736 18.275 19.000 0.019 0.000 0.826 174 A HN 0.512 nan 8.150 nan 0.000 0.524 175 M N -0.797 118.764 119.600 -0.066 0.000 2.412 175 M HA 0.153 4.633 4.480 -0.000 0.000 0.263 175 M C 1.979 178.296 176.300 0.029 0.000 1.122 175 M CA 1.148 56.374 55.300 -0.123 0.000 1.179 175 M CB -0.258 32.100 32.600 -0.403 0.000 1.335 175 M HN 0.368 nan 8.290 nan 0.000 0.465 176 R N 0.589 121.150 120.500 0.102 0.000 2.094 176 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 176 R C 2.249 178.646 176.300 0.162 0.000 1.137 176 R CA 1.817 58.091 56.100 0.289 0.000 0.943 176 R CB -0.938 29.489 30.300 0.212 0.000 0.850 176 R HN 0.470 nan 8.270 nan 0.000 0.433 177 K N 0.521 120.979 120.400 0.096 0.000 2.160 177 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 177 K C 2.203 178.852 176.600 0.081 0.000 1.047 177 K CA 1.171 57.502 56.287 0.074 0.000 0.930 177 K CB -0.099 32.435 32.500 0.056 0.000 0.720 177 K HN 0.125 nan 8.250 nan 0.000 0.450 178 L N -0.192 121.088 121.223 0.095 0.000 2.102 178 L HA -0.041 4.299 4.340 -0.000 0.000 0.202 178 L C 2.442 179.385 176.870 0.121 0.000 1.076 178 L CA 0.918 55.821 54.840 0.105 0.000 0.761 178 L CB -0.436 41.695 42.059 0.120 0.000 0.921 178 L HN 0.276 nan 8.230 nan 0.000 0.444 179 A N 0.066 122.988 122.820 0.170 0.000 1.985 179 A HA -0.275 4.045 4.320 -0.000 0.000 0.223 179 A C 2.163 179.799 177.584 0.086 0.000 1.189 179 A CA 2.295 54.433 52.037 0.169 0.000 0.658 179 A CB -1.183 17.960 19.000 0.239 0.000 0.820 179 A HN 0.524 nan 8.150 nan 0.000 0.464 180 G N -1.674 107.170 108.800 0.074 0.000 2.656 180 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.211 180 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.211 180 G C 1.117 176.042 174.900 0.041 0.000 1.137 180 G CA 0.541 45.667 45.100 0.044 0.000 0.802 180 G HN 0.638 nan 8.290 nan 0.000 0.527 181 N N -0.100 118.630 118.700 0.051 0.000 2.575 181 N HA 0.160 4.900 4.740 -0.000 0.000 0.192 181 N C 1.527 177.062 175.510 0.040 0.000 1.200 181 N CA 0.037 53.114 53.050 0.044 0.000 0.897 181 N CB 0.094 38.610 38.487 0.049 0.000 0.990 181 N HN 0.294 nan 8.380 nan 0.000 0.449 182 L N -0.578 120.670 121.223 0.042 0.000 2.515 182 L HA 0.150 4.490 4.340 -0.000 0.000 0.202 182 L C 1.607 178.492 176.870 0.026 0.000 1.056 182 L CA 0.229 55.091 54.840 0.037 0.000 0.847 182 L CB -0.092 41.997 42.059 0.050 0.000 1.131 182 L HN -0.116 nan 8.230 nan 0.000 0.484 183 K N 0.429 120.844 120.400 0.024 0.000 2.442 183 K HA -0.237 4.083 4.320 -0.000 0.000 0.199 183 K C 1.929 178.536 176.600 0.012 0.000 1.044 183 K CA 1.101 57.396 56.287 0.014 0.000 0.941 183 K CB -0.027 32.479 32.500 0.010 0.000 0.759 183 K HN 0.185 nan 8.250 nan 0.000 0.472 184 Q N 0.158 119.968 119.800 0.016 0.000 2.062 184 Q HA -0.000 4.340 4.340 -0.000 0.000 0.196 184 Q C 1.252 177.260 176.000 0.013 0.000 0.967 184 Q CA 1.730 57.542 55.803 0.015 0.000 0.832 184 Q CB 0.253 29.002 28.738 0.019 0.000 0.899 184 Q HN 0.057 nan 8.270 nan 0.000 0.442 185 S N 0.084 115.793 115.700 0.014 0.000 2.540 185 S HA 0.185 4.655 4.470 -0.000 0.000 0.218 185 S C 0.059 174.663 174.600 0.008 0.000 0.977 185 S CA 0.247 58.454 58.200 0.012 0.000 0.918 185 S CB 0.218 63.427 63.200 0.014 0.000 0.806 185 S HN 0.502 nan 8.310 nan 0.000 0.496 186 N N 1.614 120.319 118.700 0.008 0.000 2.713 186 N HA -0.130 4.610 4.740 -0.000 0.000 0.251 186 N C -0.802 174.711 175.510 0.005 0.000 1.117 186 N CA 0.921 53.974 53.050 0.005 0.000 0.770 186 N CB -1.869 36.618 38.487 0.000 0.000 1.137 186 N HN 0.321 nan 8.380 nan 0.000 0.566 187 T N 1.109 115.669 114.554 0.010 0.000 2.784 187 T HA 0.224 4.574 4.350 -0.000 0.000 0.291 187 T C 0.517 175.224 174.700 0.011 0.000 0.942 187 T CA -0.340 61.766 62.100 0.009 0.000 1.161 187 T CB 0.552 69.428 68.868 0.013 0.000 0.885 187 T HN 0.215 nan 8.240 nan 0.000 0.534 188 L N 5.945 127.170 121.223 0.004 0.000 2.265 188 L HA 0.583 4.923 4.340 -0.000 0.000 0.288 188 L C -0.849 176.020 176.870 -0.002 0.000 1.058 188 L CA -0.232 54.611 54.840 0.005 0.000 0.809 188 L CB 0.466 42.522 42.059 -0.004 0.000 1.179 188 L HN 0.592 nan 8.230 nan 0.000 0.429 189 L N 6.410 127.643 121.223 0.016 0.000 2.333 189 L HA 0.558 4.898 4.340 -0.000 0.000 0.280 189 L C -0.904 175.972 176.870 0.010 0.000 1.004 189 L CA -0.350 54.481 54.840 -0.014 0.000 0.820 189 L CB 1.481 43.555 42.059 0.025 0.000 1.247 189 L HN 0.652 nan 8.230 nan 0.000 0.416 190 I N 4.318 124.839 120.570 -0.082 0.000 2.382 190 I HA 0.303 4.473 4.170 -0.000 0.000 0.286 190 I C -0.964 175.078 176.117 -0.125 0.000 1.002 190 I CA -0.285 60.998 61.300 -0.030 0.000 1.135 190 I CB 1.339 39.328 38.000 -0.018 0.000 1.288 190 I HN 0.388 nan 8.210 nan 0.000 0.448 191 F N 7.125 127.064 119.950 -0.019 0.000 2.420 191 F HA 0.499 5.026 4.527 -0.000 0.000 0.342 191 F C 0.391 176.188 175.800 -0.005 0.000 1.113 191 F CA -0.689 57.297 58.000 -0.023 0.000 1.059 191 F CB 1.298 40.281 39.000 -0.029 0.000 1.128 191 F HN 0.214 nan 8.300 nan 0.000 0.475 192 I N 1.395 122.055 120.570 0.150 0.000 2.378 192 I HA 0.613 4.783 4.170 -0.000 0.000 0.291 192 I C -0.889 175.307 176.117 0.133 0.000 0.992 192 I CA -0.592 60.782 61.300 0.123 0.000 1.154 192 I CB 1.659 39.703 38.000 0.075 0.000 1.315 192 I HN 0.445 nan 8.210 nan 0.000 0.448 193 N N 3.890 122.678 118.700 0.147 0.000 2.697 193 N HA 0.499 5.239 4.740 -0.000 0.000 0.272 193 N C -1.408 174.173 175.510 0.118 0.000 1.381 193 N CA -0.501 52.632 53.050 0.139 0.000 0.797 193 N CB 2.225 40.811 38.487 0.165 0.000 1.523 193 N HN 0.738 nan 8.380 nan 0.000 0.518 212 G N 0.409 109.197 108.800 -0.019 0.000 2.681 212 G HA2 0.011 3.971 3.960 -0.000 0.000 0.210 212 G HA3 0.011 3.971 3.960 -0.000 0.000 0.210 212 G C 0.182 175.049 174.900 -0.054 0.000 3.399 212 G CA -0.197 44.875 45.100 -0.046 0.000 0.649 212 G HN 0.244 nan 8.290 nan 0.000 0.428 213 N N 0.489 119.175 118.700 -0.023 0.000 2.573 213 N HA -0.053 4.687 4.740 -0.000 0.000 0.187 213 N C 2.223 177.750 175.510 0.027 0.000 1.107 213 N CA 1.094 54.153 53.050 0.015 0.000 0.918 213 N CB 0.214 38.729 38.487 0.047 0.000 0.966 213 N HN 0.651 nan 8.380 nan 0.000 0.448 214 A N 1.146 123.931 122.820 -0.058 0.000 1.841 214 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 214 A C 2.097 179.587 177.584 -0.156 0.000 1.195 214 A CA 0.656 52.612 52.037 -0.135 0.000 0.611 214 A CB -0.863 17.989 19.000 -0.247 0.000 0.835 214 A HN 0.308 nan 8.150 nan 0.000 0.443 215 L N 0.365 121.453 121.223 -0.225 0.000 2.137 215 L HA -0.245 4.095 4.340 -0.000 0.000 0.213 215 L C 2.309 179.106 176.870 -0.122 0.000 1.085 215 L CA 2.670 57.352 54.840 -0.263 0.000 0.760 215 L CB -0.524 41.295 42.059 -0.400 0.000 0.893 215 L HN 0.529 nan 8.230 nan 0.000 0.434 216 K N -1.276 119.078 120.400 -0.077 0.000 2.059 216 K HA -0.261 4.059 4.320 -0.000 0.000 0.212 216 K C 1.951 178.481 176.600 -0.116 0.000 1.050 216 K CA 2.311 58.526 56.287 -0.120 0.000 0.927 216 K CB -0.349 32.085 32.500 -0.110 0.000 0.714 216 K HN 0.381 nan 8.250 nan 0.000 0.447 217 F N -1.002 118.990 119.950 0.070 0.000 2.569 217 F HA 0.049 4.576 4.527 -0.000 0.000 0.295 217 F C 1.285 177.181 175.800 0.160 0.000 1.115 217 F CA 0.413 58.484 58.000 0.119 0.000 1.450 217 F CB 0.239 39.329 39.000 0.149 0.000 1.107 217 F HN 0.042 nan 8.300 nan 0.000 0.563 218 Y N -0.440 119.901 120.300 0.069 0.000 2.482 218 Y HA 0.365 4.915 4.550 -0.000 0.000 0.270 218 Y C 1.282 177.172 175.900 -0.016 0.000 1.152 218 Y CA -0.505 57.609 58.100 0.023 0.000 1.292 218 Y CB -0.119 38.341 38.460 -0.001 0.000 1.070 218 Y HN -0.139 nan 8.280 nan 0.000 0.528 219 A N 0.000 122.872 122.820 0.086 0.000 2.409 219 A HA 0.239 4.559 4.320 -0.000 0.000 0.262 219 A C 0.997 178.571 177.584 -0.017 0.000 1.113 219 A CA -0.128 51.915 52.037 0.009 0.000 0.790 219 A CB 0.419 19.382 19.000 -0.062 0.000 1.046 219 A HN 0.295 nan 8.150 nan 0.000 0.496 220 S N 0.748 116.444 115.700 -0.007 0.000 2.478 220 S HA 0.175 4.645 4.470 -0.000 0.000 0.222 220 S C 0.376 174.950 174.600 -0.043 0.000 1.008 220 S CA 0.444 58.630 58.200 -0.023 0.000 0.928 220 S CB 0.071 63.266 63.200 -0.009 0.000 0.781 220 S HN 0.563 nan 8.310 nan 0.000 0.518 221 V N 1.757 121.644 119.914 -0.046 0.000 2.851 221 V HA 0.463 4.583 4.120 -0.000 0.000 0.307 221 V C -1.129 174.913 176.094 -0.086 0.000 1.129 221 V CA -0.780 61.482 62.300 -0.062 0.000 0.932 221 V CB 2.297 34.097 31.823 -0.038 0.000 1.024 221 V HN 0.122 nan 8.190 nan 0.000 0.426 222 R N 4.523 124.947 120.500 -0.127 0.000 2.628 222 R HA 0.687 5.027 4.340 -0.000 0.000 0.288 222 R C -1.937 174.283 176.300 -0.133 0.000 0.980 222 R CA -0.909 55.080 56.100 -0.184 0.000 0.891 222 R CB 2.314 32.419 30.300 -0.326 0.000 1.188 222 R HN 0.322 nan 8.270 nan 0.000 0.450 223 L N 1.963 123.140 121.223 -0.077 0.000 2.362 223 L HA 0.311 4.651 4.340 -0.000 0.000 0.275 223 L C -0.351 176.661 176.870 0.236 0.000 0.998 223 L CA -0.536 54.336 54.840 0.054 0.000 0.820 223 L CB 1.622 43.727 42.059 0.076 0.000 1.270 223 L HN 0.546 nan 8.230 nan 0.000 0.415 224 D N 3.464 124.021 120.400 0.261 0.000 2.540 224 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 224 D C -0.068 176.303 176.300 0.119 0.000 1.159 224 D CA -0.153 54.021 54.000 0.290 0.000 0.974 224 D CB 0.266 41.218 40.800 0.254 0.000 0.996 224 D HN 0.414 nan 8.370 nan 0.000 0.512 225 I N 2.169 122.805 120.570 0.111 0.000 2.529 225 I HA 0.304 4.474 4.170 -0.000 0.000 0.284 225 I C -0.230 175.886 176.117 -0.003 0.000 1.082 225 I CA -0.266 61.072 61.300 0.062 0.000 1.406 225 I CB 0.306 38.360 38.000 0.091 0.000 1.405 225 I HN 0.180 nan 8.210 nan 0.000 0.548 226 R N 6.618 127.100 120.500 -0.029 0.000 2.566 226 R HA 0.358 4.698 4.340 -0.000 0.000 0.271 226 R C -1.186 175.077 176.300 -0.063 0.000 1.071 226 R CA -0.894 55.177 56.100 -0.049 0.000 0.915 226 R CB 1.402 31.670 30.300 -0.053 0.000 1.228 226 R HN 0.667 nan 8.270 nan 0.000 0.449 227 R N 4.351 124.819 120.500 -0.053 0.000 2.267 227 R HA 0.221 4.561 4.340 -0.000 0.000 0.319 227 R C 0.783 177.057 176.300 -0.044 0.000 1.067 227 R CA 0.150 56.219 56.100 -0.052 0.000 0.936 227 R CB 0.358 30.641 30.300 -0.028 0.000 1.006 227 R HN 0.674 nan 8.270 nan 0.000 0.452 228 I N 0.532 121.072 120.570 -0.050 0.000 4.338 228 I HA 0.492 4.662 4.170 -0.000 0.000 0.329 228 I C 0.338 176.438 176.117 -0.029 0.000 1.378 228 I CA -0.286 60.992 61.300 -0.038 0.000 1.170 228 I CB 1.299 39.275 38.000 -0.040 0.000 1.206 228 I HN 0.628 nan 8.210 nan 0.000 0.432 229 G N 1.258 110.041 108.800 -0.028 0.000 3.111 229 G HA2 0.840 4.800 3.960 -0.000 0.000 0.158 229 G HA3 0.840 4.800 3.960 -0.000 0.000 0.158 229 G C -1.410 173.484 174.900 -0.010 0.000 1.161 229 G CA -0.210 44.879 45.100 -0.019 0.000 1.025 229 G HN 0.721 nan 8.290 nan 0.000 0.619 230 A N -1.880 120.934 122.820 -0.010 0.000 2.592 230 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 230 A C -1.746 175.828 177.584 -0.015 0.000 0.994 230 A CA -0.181 51.852 52.037 -0.007 0.000 0.707 230 A CB 0.710 19.702 19.000 -0.014 0.000 1.273 230 A HN 1.574 nan 8.150 nan 0.000 0.413 231 V N 1.917 121.818 119.914 -0.021 0.000 2.555 231 V HA 0.599 4.719 4.120 -0.000 0.000 0.302 231 V C -0.045 176.021 176.094 -0.046 0.000 1.038 231 V CA -0.613 61.674 62.300 -0.022 0.000 0.887 231 V CB 1.781 33.604 31.823 -0.001 0.000 0.991 231 V HN 0.870 nan 8.190 nan 0.000 0.434 232 K N 2.423 122.800 120.400 -0.038 0.000 2.208 232 K HA 0.605 4.925 4.320 -0.000 0.000 0.247 232 K C -0.532 176.045 176.600 -0.038 0.000 0.953 232 K CA -0.685 55.574 56.287 -0.048 0.000 0.837 232 K CB 2.252 34.729 32.500 -0.039 0.000 1.131 232 K HN 0.610 nan 8.250 nan 0.000 0.431 233 E N 1.246 121.420 120.200 -0.043 0.000 2.698 233 E HA 0.136 4.486 4.350 -0.000 0.000 0.242 233 E C 0.423 177.005 176.600 -0.030 0.000 1.243 233 E CA -0.162 56.218 56.400 -0.034 0.000 1.483 233 E CB 0.396 30.075 29.700 -0.035 0.000 1.495 233 E HN 0.954 nan 8.360 nan 0.000 0.440 234 G N 1.939 110.723 108.800 -0.025 0.000 4.148 234 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.221 234 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.221 234 G C 0.838 175.723 174.900 -0.025 0.000 1.373 234 G CA 0.229 45.316 45.100 -0.021 0.000 0.940 234 G HN 0.445 nan 8.290 nan 0.000 0.610 235 E N 1.885 122.067 120.200 -0.030 0.000 2.812 235 E HA 0.279 4.629 4.350 -0.000 0.000 0.211 235 E C -0.026 176.548 176.600 -0.042 0.000 0.986 235 E CA -0.025 56.357 56.400 -0.031 0.000 1.119 235 E CB 0.220 29.905 29.700 -0.025 0.000 1.046 235 E HN 0.667 nan 8.360 nan 0.000 0.474 236 N N -1.136 117.530 118.700 -0.056 0.000 2.525 236 N HA 0.119 4.859 4.740 -0.000 0.000 0.270 236 N C 1.010 176.450 175.510 -0.116 0.000 1.321 236 N CA -0.370 52.631 53.050 -0.081 0.000 0.797 236 N CB 2.399 40.837 38.487 -0.081 0.000 1.529 236 N HN -0.180 nan 8.380 nan 0.000 0.491 237 V N -1.061 118.753 119.914 -0.168 0.000 2.244 237 V HA -0.125 3.995 4.120 -0.000 0.000 0.244 237 V C 1.815 177.693 176.094 -0.360 0.000 1.042 237 V CA 1.391 63.541 62.300 -0.250 0.000 1.006 237 V CB -0.960 30.688 31.823 -0.293 0.000 0.641 237 V HN 0.582 nan 8.190 nan 0.000 0.446 238 V N 1.303 120.930 119.914 -0.478 0.000 2.045 238 V HA -0.354 3.766 4.120 -0.000 0.000 0.178 238 V C 1.345 177.248 176.094 -0.318 0.000 0.952 238 V CA 2.082 64.098 62.300 -0.473 0.000 1.254 238 V CB -1.431 30.280 31.823 -0.186 0.000 1.417 238 V HN 1.096 nan 8.190 nan 0.000 0.581 239 G N -2.346 106.334 108.800 -0.199 0.000 2.601 239 G HA2 0.611 4.571 3.960 -0.000 0.000 0.317 239 G HA3 0.611 4.571 3.960 -0.000 0.000 0.317 239 G C -0.662 174.284 174.900 0.078 0.000 1.246 239 G CA 0.350 45.445 45.100 -0.009 0.000 1.012 239 G HN 0.566 nan 8.290 nan 0.000 0.494 240 S N -0.321 115.440 115.700 0.102 0.000 2.417 240 S HA 0.145 4.614 4.470 -0.000 0.000 0.189 240 S C -0.732 173.870 174.600 0.002 0.000 1.005 240 S CA -0.664 57.587 58.200 0.085 0.000 1.116 240 S CB 1.224 64.512 63.200 0.147 0.000 1.343 240 S HN 0.738 nan 8.310 nan 0.000 0.406 241 E N 2.249 122.434 120.200 -0.024 0.000 2.406 241 E HA 0.251 4.601 4.350 -0.000 0.000 0.258 241 E C -0.333 176.181 176.600 -0.142 0.000 1.043 241 E CA 0.623 56.980 56.400 -0.073 0.000 0.929 241 E CB 0.348 30.023 29.700 -0.042 0.000 0.969 241 E HN 0.391 nan 8.360 nan 0.000 0.462 242 T N 5.553 119.927 114.554 -0.300 0.000 2.885 242 T HA 0.488 4.838 4.350 -0.000 0.000 0.285 242 T C -0.560 173.871 174.700 -0.449 0.000 1.019 242 T CA -0.843 61.007 62.100 -0.417 0.000 1.010 242 T CB 1.254 69.748 68.868 -0.623 0.000 1.022 242 T HN 0.273 nan 8.240 nan 0.000 0.466 243 R N 2.329 122.678 120.500 -0.253 0.000 2.483 243 R HA 0.546 4.886 4.340 -0.000 0.000 0.303 243 R C -1.982 174.303 176.300 -0.025 0.000 0.987 243 R CA -0.404 55.630 56.100 -0.110 0.000 0.881 243 R CB 1.316 31.584 30.300 -0.055 0.000 1.177 243 R HN 0.485 nan 8.270 nan 0.000 0.451 244 V N 4.884 124.839 119.914 0.068 0.000 2.417 244 V HA 0.402 4.522 4.120 -0.000 0.000 0.291 244 V C -0.048 176.112 176.094 0.110 0.000 1.024 244 V CA -0.713 61.665 62.300 0.130 0.000 0.861 244 V CB 1.923 33.900 31.823 0.256 0.000 0.985 244 V HN 0.561 nan 8.190 nan 0.000 0.436 245 K N 3.488 123.942 120.400 0.090 0.000 2.182 245 K HA 0.649 4.969 4.320 -0.000 0.000 0.262 245 K C -1.124 175.504 176.600 0.047 0.000 0.957 245 K CA -0.583 55.745 56.287 0.069 0.000 0.842 245 K CB 1.945 34.482 32.500 0.063 0.000 1.099 245 K HN 0.458 nan 8.250 nan 0.000 0.438 246 V N 5.808 125.732 119.914 0.017 0.000 2.353 246 V HA 0.040 4.160 4.120 -0.000 0.000 0.264 246 V C 0.870 176.896 176.094 -0.113 0.000 1.049 246 V CA -0.210 62.073 62.300 -0.029 0.000 0.896 246 V CB 1.014 32.829 31.823 -0.014 0.000 1.025 246 V HN 0.724 nan 8.190 nan 0.000 0.475 247 V N 3.825 123.650 119.914 -0.150 0.000 2.492 247 V HA 0.155 4.275 4.120 -0.000 0.000 0.241 247 V C 0.909 176.818 176.094 -0.308 0.000 1.041 247 V CA 0.676 62.816 62.300 -0.267 0.000 1.057 247 V CB -0.159 31.538 31.823 -0.211 0.000 0.711 247 V HN 0.699 nan 8.190 nan 0.000 0.468 248 K N 1.559 121.820 120.400 -0.231 0.000 2.358 248 K HA 0.459 4.779 4.320 -0.000 0.000 0.260 248 K C -1.047 175.476 176.600 -0.128 0.000 0.956 248 K CA -0.320 55.848 56.287 -0.199 0.000 0.834 248 K CB 0.902 33.271 32.500 -0.219 0.000 1.102 248 K HN 0.193 nan 8.250 nan 0.000 0.431 249 N N 3.312 121.954 118.700 -0.097 0.000 2.594 249 N HA 0.183 4.923 4.740 -0.000 0.000 0.280 249 N C -0.924 174.568 175.510 -0.031 0.000 1.156 249 N CA -0.364 52.655 53.050 -0.053 0.000 0.831 249 N CB 1.149 39.616 38.487 -0.033 0.000 1.379 249 N HN 0.534 nan 8.380 nan 0.000 0.536 250 K N 2.162 122.545 120.400 -0.029 0.000 2.358 250 K HA 0.256 4.576 4.320 -0.000 0.000 0.197 250 K C 0.828 177.423 176.600 -0.009 0.000 1.025 250 K CA 0.081 56.359 56.287 -0.015 0.000 1.104 250 K CB 0.690 33.179 32.500 -0.017 0.000 0.855 250 K HN 0.378 nan 8.250 nan 0.000 0.531 251 I N 0.290 120.853 120.570 -0.011 0.000 2.731 251 I HA -0.032 4.138 4.170 -0.000 0.000 0.260 251 I C 1.132 177.248 176.117 -0.002 0.000 1.138 251 I CA 0.578 61.873 61.300 -0.008 0.000 1.461 251 I CB 0.407 38.400 38.000 -0.011 0.000 1.128 251 I HN 0.055 nan 8.210 nan 0.000 0.438 252 A N -0.556 122.265 122.820 0.001 0.000 2.770 252 A HA 0.872 5.192 4.320 -0.000 0.000 0.183 252 A C -0.546 177.050 177.584 0.021 0.000 1.077 252 A CA 0.239 52.282 52.037 0.010 0.000 1.468 252 A CB -0.483 18.523 19.000 0.009 0.000 2.037 252 A HN 0.015 nan 8.150 nan 0.000 0.730 253 A N 0.885 123.723 122.820 0.030 0.000 2.303 253 A HA 0.746 5.066 4.320 -0.000 0.000 0.320 253 A C -2.743 174.880 177.584 0.065 0.000 1.192 253 A CA -1.539 50.531 52.037 0.054 0.000 0.821 253 A CB 0.268 19.303 19.000 0.058 0.000 1.188 253 A HN 0.320 nan 8.150 nan 0.000 0.492 254 P HA 0.545 nan 4.420 nan 0.000 0.293 254 P C 0.168 177.581 177.300 0.188 0.000 1.298 254 P CA -0.215 62.919 63.100 0.056 0.000 0.757 254 P CB 0.084 31.781 31.700 -0.006 0.000 1.262 255 F N -4.532 115.421 119.950 0.005 0.000 2.666 255 F HA -0.250 4.277 4.527 -0.000 0.000 0.458 255 F C 0.699 176.511 175.800 0.020 0.000 0.561 255 F CA 1.213 59.221 58.000 0.013 0.000 1.129 255 F CB -1.575 37.431 39.000 0.010 0.000 1.751 255 F HN 0.191 nan 8.300 nan 0.000 0.275 256 K N 1.845 122.341 120.400 0.159 0.000 2.249 256 K HA 0.371 4.691 4.320 -0.000 0.000 0.280 256 K C 0.336 176.987 176.600 0.085 0.000 1.033 256 K CA -0.272 56.082 56.287 0.111 0.000 0.946 256 K CB 0.946 33.496 32.500 0.083 0.000 1.005 256 K HN 0.369 nan 8.250 nan 0.000 0.469 257 Q N 0.796 120.647 119.800 0.086 0.000 2.351 257 Q HA 0.770 5.110 4.340 -0.000 0.000 0.273 257 Q C -1.465 174.588 176.000 0.088 0.000 1.077 257 Q CA -1.217 54.636 55.803 0.082 0.000 0.843 257 Q CB 2.128 30.913 28.738 0.079 0.000 1.367 257 Q HN 0.523 nan 8.270 nan 0.000 0.449 258 A N 1.587 124.473 122.820 0.110 0.000 2.486 258 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 258 A C -1.417 176.290 177.584 0.205 0.000 1.048 258 A CA -0.785 51.336 52.037 0.141 0.000 0.696 258 A CB 1.786 20.865 19.000 0.132 0.000 1.278 258 A HN 0.793 nan 8.150 nan 0.000 0.405 259 E N 0.611 120.932 120.200 0.202 0.000 2.227 259 E HA 0.775 5.125 4.350 -0.000 0.000 0.268 259 E C -0.901 175.883 176.600 0.306 0.000 0.907 259 E CA -0.460 56.040 56.400 0.166 0.000 0.786 259 E CB 2.112 31.855 29.700 0.072 0.000 1.191 259 E HN 0.698 nan 8.360 nan 0.000 0.411 260 F N -1.392 118.585 119.950 0.044 0.000 3.461 260 F HA 0.452 4.979 4.527 -0.000 0.000 0.328 260 F C -1.581 174.250 175.800 0.052 0.000 1.160 260 F CA -1.061 56.968 58.000 0.050 0.000 0.879 260 F CB 1.181 40.214 39.000 0.053 0.000 1.559 260 F HN 0.202 nan 8.300 nan 0.000 0.510 261 Q N 0.756 120.725 119.800 0.282 0.000 2.423 261 Q HA 0.723 5.063 4.340 -0.000 0.000 0.278 261 Q C -1.699 174.445 176.000 0.241 0.000 1.097 261 Q CA -0.923 54.962 55.803 0.137 0.000 0.809 261 Q CB 3.510 32.325 28.738 0.129 0.000 1.391 261 Q HN 0.587 nan 8.270 nan 0.000 0.428 262 I N 2.108 122.769 120.570 0.153 0.000 2.466 262 I HA 0.324 4.494 4.170 -0.000 0.000 0.289 262 I C -1.316 174.927 176.117 0.211 0.000 1.026 262 I CA -0.835 60.585 61.300 0.201 0.000 1.078 262 I CB 1.598 39.702 38.000 0.174 0.000 1.249 262 I HN 0.273 nan 8.210 nan 0.000 0.429 263 L N 6.352 127.708 121.223 0.221 0.000 2.307 263 L HA 0.356 4.696 4.340 -0.000 0.000 0.284 263 L C -0.511 176.554 176.870 0.326 0.000 1.023 263 L CA -0.241 54.745 54.840 0.243 0.000 0.810 263 L CB 0.758 42.916 42.059 0.164 0.000 1.231 263 L HN 0.337 nan 8.230 nan 0.000 0.423 264 Y N 3.715 124.065 120.300 0.084 0.000 2.854 264 Y HA 0.183 4.733 4.550 -0.000 0.000 0.372 264 Y C 1.506 177.475 175.900 0.115 0.000 1.330 264 Y CA 0.709 58.849 58.100 0.067 0.000 1.765 264 Y CB -0.037 38.433 38.460 0.017 0.000 1.277 264 Y HN 0.874 nan 8.280 nan 0.000 0.498 265 G N 2.751 111.754 108.800 0.337 0.000 2.130 265 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 265 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 265 G C 0.299 175.348 174.900 0.248 0.000 0.999 265 G CA 0.331 45.639 45.100 0.348 0.000 0.686 265 G HN 0.662 nan 8.290 nan 0.000 0.515 266 E N -1.682 118.656 120.200 0.230 0.000 2.640 266 E HA 0.428 4.778 4.350 -0.000 0.000 0.197 266 E C 1.241 177.879 176.600 0.065 0.000 0.925 266 E CA 0.838 57.303 56.400 0.109 0.000 1.604 266 E CB 0.828 30.591 29.700 0.104 0.000 1.769 266 E HN 1.773 nan 8.360 nan 0.000 0.965 267 G N 1.355 110.227 108.800 0.119 0.000 2.698 267 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.225 267 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.225 267 G C -0.228 174.751 174.900 0.131 0.000 1.345 267 G CA -0.384 44.767 45.100 0.086 0.000 0.871 267 G HN 0.150 nan 8.290 nan 0.000 0.540 268 I N 0.516 121.165 120.570 0.131 0.000 2.880 268 I HA 0.021 4.191 4.170 -0.000 0.000 0.296 268 I C 0.700 176.910 176.117 0.155 0.000 1.220 268 I CA 0.385 61.786 61.300 0.170 0.000 1.435 268 I CB 0.365 38.400 38.000 0.058 0.000 1.339 268 I HN 0.490 nan 8.210 nan 0.000 0.583 269 N N 5.623 124.425 118.700 0.170 0.000 2.800 269 N HA 0.202 4.942 4.740 -0.000 0.000 0.240 269 N C 0.458 176.017 175.510 0.081 0.000 1.096 269 N CA -0.599 52.519 53.050 0.113 0.000 0.877 269 N CB 0.332 38.886 38.487 0.110 0.000 1.138 269 N HN 0.466 nan 8.380 nan 0.000 0.509 270 F N 1.365 121.244 119.950 -0.119 0.000 2.407 270 F HA 0.078 4.605 4.527 -0.000 0.000 0.299 270 F C 0.715 176.422 175.800 -0.155 0.000 1.097 270 F CA 0.409 58.299 58.000 -0.184 0.000 1.422 270 F CB -0.318 38.519 39.000 -0.273 0.000 1.067 270 F HN 0.220 nan 8.300 nan 0.000 0.539 271 Y N 1.944 121.941 120.300 -0.504 0.000 2.200 271 Y HA 0.044 4.594 4.550 -0.000 0.000 0.290 271 Y C 2.797 178.602 175.900 -0.159 0.000 1.137 271 Y CA 0.978 58.849 58.100 -0.381 0.000 1.163 271 Y CB -1.250 36.962 38.460 -0.414 0.000 0.988 271 Y HN 0.190 nan 8.280 nan 0.000 0.518 272 G N 0.505 109.335 108.800 0.050 0.000 2.491 272 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 272 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 272 G C 1.462 176.394 174.900 0.054 0.000 1.180 272 G CA 1.395 46.522 45.100 0.045 0.000 0.774 272 G HN 0.602 nan 8.290 nan 0.000 0.562 273 E N 0.008 120.257 120.200 0.082 0.000 2.274 273 E HA 0.023 4.373 4.350 -0.000 0.000 0.194 273 E C 2.341 178.991 176.600 0.084 0.000 0.996 273 E CA 0.419 56.877 56.400 0.097 0.000 0.840 273 E CB -0.241 29.533 29.700 0.124 0.000 0.772 273 E HN 0.343 nan 8.360 nan 0.000 0.491 274 L N 1.711 122.976 121.223 0.071 0.000 1.994 274 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 274 L C 2.346 179.262 176.870 0.076 0.000 1.071 274 L CA 1.414 56.300 54.840 0.076 0.000 0.745 274 L CB -0.622 41.475 42.059 0.062 0.000 0.892 274 L HN 0.051 nan 8.230 nan 0.000 0.431 275 V N 0.211 120.157 119.914 0.054 0.000 2.231 275 V HA -0.402 3.718 4.120 -0.000 0.000 0.250 275 V C 2.342 178.496 176.094 0.100 0.000 1.058 275 V CA 2.234 64.561 62.300 0.045 0.000 1.022 275 V CB -1.028 30.751 31.823 -0.074 0.000 0.640 275 V HN 0.465 nan 8.190 nan 0.000 0.445 276 D N -0.258 120.196 120.400 0.090 0.000 2.190 276 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 276 D C 1.899 178.266 176.300 0.113 0.000 0.992 276 D CA 1.141 55.211 54.000 0.116 0.000 0.854 276 D CB -0.191 40.669 40.800 0.100 0.000 0.936 276 D HN 0.279 nan 8.370 nan 0.000 0.462 277 L N 0.234 121.518 121.223 0.101 0.000 2.131 277 L HA 0.092 4.432 4.340 -0.000 0.000 0.206 277 L C 2.553 179.483 176.870 0.101 0.000 1.087 277 L CA 1.187 56.083 54.840 0.093 0.000 0.767 277 L CB -1.230 40.879 42.059 0.082 0.000 0.917 277 L HN 0.028 nan 8.230 nan 0.000 0.441 278 G N -1.215 107.655 108.800 0.116 0.000 2.443 278 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.219 278 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.219 278 G C 1.656 176.642 174.900 0.145 0.000 1.131 278 G CA 0.875 46.056 45.100 0.135 0.000 0.775 278 G HN 0.235 nan 8.290 nan 0.000 0.547 279 V N 0.669 120.675 119.914 0.153 0.000 2.237 279 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 279 V C 2.696 178.851 176.094 0.100 0.000 1.046 279 V CA 2.115 64.502 62.300 0.145 0.000 1.007 279 V CB -0.350 31.574 31.823 0.169 0.000 0.638 279 V HN 0.303 nan 8.190 nan 0.000 0.445 280 K N -0.255 120.199 120.400 0.091 0.000 2.283 280 K HA -0.106 4.214 4.320 -0.000 0.000 0.202 280 K C 1.037 177.676 176.600 0.066 0.000 1.048 280 K CA 0.862 57.191 56.287 0.070 0.000 0.948 280 K CB 0.082 32.621 32.500 0.066 0.000 0.742 280 K HN 0.399 nan 8.250 nan 0.000 0.458 281 E N 1.132 121.377 120.200 0.076 0.000 2.405 281 E HA 0.029 4.379 4.350 -0.000 0.000 0.214 281 E C 0.036 176.682 176.600 0.077 0.000 1.101 281 E CA -0.130 56.312 56.400 0.071 0.000 1.254 281 E CB 0.670 30.413 29.700 0.072 0.000 1.240 281 E HN 0.137 nan 8.360 nan 0.000 0.439 282 K N -0.997 119.447 120.400 0.073 0.000 6.581 282 K HA -0.293 4.027 4.320 -0.000 0.000 0.456 282 K C 1.650 178.306 176.600 0.094 0.000 0.402 282 K CA 1.584 57.913 56.287 0.069 0.000 1.893 282 K CB -1.911 30.620 32.500 0.052 0.000 0.843 282 K HN 0.264 nan 8.250 nan 0.000 0.751 283 L N 0.847 122.141 121.223 0.118 0.000 2.123 283 L HA -0.143 4.197 4.340 -0.000 0.000 0.217 283 L C 1.388 178.404 176.870 0.244 0.000 1.081 283 L CA 1.621 56.566 54.840 0.174 0.000 0.772 283 L CB -0.254 41.926 42.059 0.202 0.000 0.890 283 L HN 0.242 nan 8.230 nan 0.000 0.437 284 I N -0.886 119.816 120.570 0.220 0.000 2.412 284 I HA 0.175 4.345 4.170 -0.000 0.000 0.296 284 I C -0.138 176.081 176.117 0.170 0.000 0.987 284 I CA -0.391 61.058 61.300 0.249 0.000 1.180 284 I CB 1.645 39.805 38.000 0.266 0.000 1.340 284 I HN -0.034 nan 8.210 nan 0.000 0.455 285 E N 5.385 125.672 120.200 0.144 0.000 2.166 285 E HA 0.291 4.641 4.350 -0.000 0.000 0.275 285 E C -0.751 175.847 176.600 -0.005 0.000 0.941 285 E CA -0.840 55.597 56.400 0.062 0.000 0.784 285 E CB 1.946 31.671 29.700 0.041 0.000 1.115 285 E HN 0.293 nan 8.360 nan 0.000 0.399 286 K N 2.159 122.504 120.400 -0.093 0.000 2.268 286 K HA 0.362 4.682 4.320 -0.000 0.000 0.276 286 K C -0.776 175.728 176.600 -0.161 0.000 1.080 286 K CA -0.266 55.858 56.287 -0.272 0.000 0.910 286 K CB 0.836 33.148 32.500 -0.313 0.000 1.163 286 K HN 0.566 nan 8.250 nan 0.000 0.465 287 A N 3.813 126.556 122.820 -0.129 0.000 3.181 287 A HA 0.401 4.721 4.320 -0.000 0.000 0.293 287 A C 0.924 178.487 177.584 -0.036 0.000 1.346 287 A CA 0.298 52.304 52.037 -0.051 0.000 1.018 287 A CB -0.442 18.555 19.000 -0.004 0.000 1.093 287 A HN 1.082 nan 8.150 nan 0.000 0.629 288 G N 0.105 108.856 108.800 -0.082 0.000 5.347 288 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.299 288 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.299 288 G C 1.401 176.273 174.900 -0.046 0.000 1.492 288 G CA 0.868 45.940 45.100 -0.046 0.000 0.991 288 G HN 1.593 nan 8.290 nan 0.000 0.749 289 A N -1.094 121.750 122.820 0.041 0.000 1.969 289 A HA 0.524 4.844 4.320 -0.000 0.000 0.205 289 A C 0.741 178.401 177.584 0.126 0.000 1.364 289 A CA 0.859 52.947 52.037 0.085 0.000 0.756 289 A CB -0.099 18.980 19.000 0.132 0.000 0.988 289 A HN 0.692 nan 8.150 nan 0.000 0.490 290 W N 0.538 121.835 121.300 -0.005 0.000 2.446 290 W HA 0.448 5.108 4.660 -0.000 0.000 0.316 290 W C -0.557 175.966 176.519 0.007 0.000 1.376 290 W CA 0.309 57.673 57.345 0.032 0.000 1.300 290 W CB -0.277 29.181 29.460 -0.004 0.000 1.351 290 W HN 0.269 nan 8.180 nan 0.000 0.530 291 Y N 2.237 122.596 120.300 0.098 0.000 2.301 291 Y HA 0.344 4.894 4.550 -0.000 0.000 0.328 291 Y C 0.909 176.862 175.900 0.087 0.000 1.242 291 Y CA 0.320 58.463 58.100 0.071 0.000 1.323 291 Y CB 1.099 39.569 38.460 0.017 0.000 1.266 291 Y HN 0.171 nan 8.280 nan 0.000 0.527 292 S N 0.910 116.742 115.700 0.221 0.000 2.599 292 S HA 0.374 4.844 4.470 -0.000 0.000 0.294 292 S C -1.830 172.910 174.600 0.234 0.000 1.094 292 S CA -0.606 57.695 58.200 0.168 0.000 0.931 292 S CB 1.082 64.343 63.200 0.102 0.000 1.093 292 S HN 0.489 nan 8.310 nan 0.000 0.488 293 Y N 2.239 122.565 120.300 0.042 0.000 2.470 293 Y HA 0.406 4.956 4.550 -0.000 0.000 0.352 293 Y C -0.553 175.378 175.900 0.052 0.000 0.967 293 Y CA -0.794 57.345 58.100 0.066 0.000 1.121 293 Y CB -0.504 38.011 38.460 0.092 0.000 1.149 293 Y HN 0.793 nan 8.280 nan 0.000 0.641 294 K N 2.260 122.605 120.400 -0.091 0.000 4.868 294 K HA -0.199 4.121 4.320 -0.000 0.000 0.324 294 K C 1.074 177.619 176.600 -0.091 0.000 0.971 294 K CA 1.041 57.249 56.287 -0.131 0.000 1.034 294 K CB -1.213 31.151 32.500 -0.228 0.000 1.672 294 K HN 1.096 nan 8.250 nan 0.000 0.426 295 G N 0.799 109.577 108.800 -0.038 0.000 2.900 295 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.223 295 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.223 295 G C -0.091 174.806 174.900 -0.006 0.000 1.293 295 G CA 0.219 45.303 45.100 -0.027 0.000 0.792 295 G HN 0.483 nan 8.290 nan 0.000 0.527 296 E N 2.799 123.004 120.200 0.009 0.000 2.059 296 E HA 0.196 4.546 4.350 -0.000 0.000 0.262 296 E C 0.456 177.065 176.600 0.016 0.000 1.230 296 E CA 0.248 56.670 56.400 0.037 0.000 0.951 296 E CB 0.131 29.898 29.700 0.112 0.000 1.038 296 E HN 0.472 nan 8.360 nan 0.000 0.425 297 K N 2.950 123.351 120.400 0.002 0.000 2.401 297 K HA 0.051 4.371 4.320 -0.000 0.000 0.278 297 K C 1.499 178.004 176.600 -0.157 0.000 1.018 297 K CA 0.083 56.392 56.287 0.036 0.000 0.981 297 K CB 0.684 33.281 32.500 0.161 0.000 0.933 297 K HN 0.506 nan 8.250 nan 0.000 0.477 298 I N -1.615 118.815 120.570 -0.233 0.000 3.718 298 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 298 I C 0.755 176.555 176.117 -0.528 0.000 1.220 298 I CA -0.168 60.707 61.300 -0.709 0.000 1.381 298 I CB 0.785 38.367 38.000 -0.696 0.000 1.238 298 I HN 0.608 nan 8.210 nan 0.000 0.448 299 G N 1.145 109.770 108.800 -0.292 0.000 2.328 299 G HA2 0.224 4.184 3.960 -0.000 0.000 0.295 299 G HA3 0.224 4.184 3.960 -0.000 0.000 0.295 299 G C -2.105 172.447 174.900 -0.580 0.000 1.413 299 G CA -0.616 44.235 45.100 -0.415 0.000 0.817 299 G HN 0.212 nan 8.290 nan 0.000 0.546 300 Q N 0.281 119.640 119.800 -0.735 0.000 2.347 300 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 300 Q C 0.530 176.354 176.000 -0.293 0.000 0.980 300 Q CA 0.578 55.935 55.803 -0.743 0.000 0.867 300 Q CB 0.907 29.081 28.738 -0.940 0.000 1.242 300 Q HN 2.325 nan 8.270 nan 0.000 0.453 301 G N 2.963 111.713 108.800 -0.083 0.000 2.698 301 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.225 301 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.225 301 G C -0.117 174.757 174.900 -0.043 0.000 1.345 301 G CA -0.032 45.084 45.100 0.026 0.000 0.871 301 G HN 0.668 nan 8.290 nan 0.000 0.540 302 K N -0.089 120.272 120.400 -0.064 0.000 2.361 302 K HA 0.364 4.684 4.320 -0.000 0.000 0.196 302 K C 2.756 179.249 176.600 -0.177 0.000 1.039 302 K CA 1.435 57.584 56.287 -0.230 0.000 1.001 302 K CB -0.283 32.157 32.500 -0.101 0.000 0.795 302 K HN 0.788 nan 8.250 nan 0.000 0.495 303 A N 1.408 124.160 122.820 -0.114 0.000 1.898 303 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 303 A C 1.702 179.223 177.584 -0.106 0.000 1.181 303 A CA 1.355 53.337 52.037 -0.092 0.000 0.620 303 A CB -0.285 18.674 19.000 -0.069 0.000 0.819 303 A HN 0.267 nan 8.150 nan 0.000 0.442 304 N N -0.395 118.223 118.700 -0.136 0.000 2.405 304 N HA 0.107 4.847 4.740 -0.000 0.000 0.175 304 N C 1.769 177.211 175.510 -0.113 0.000 1.051 304 N CA 1.013 53.986 53.050 -0.128 0.000 0.899 304 N CB -0.148 38.233 38.487 -0.176 0.000 1.000 304 N HN 0.426 nan 8.380 nan 0.000 0.451 305 A N 0.410 123.116 122.820 -0.190 0.000 1.898 305 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 305 A C 2.288 179.814 177.584 -0.097 0.000 1.181 305 A CA 1.649 53.567 52.037 -0.197 0.000 0.620 305 A CB -0.817 17.861 19.000 -0.537 0.000 0.819 305 A HN 0.204 nan 8.150 nan 0.000 0.442 306 T N 0.355 114.829 114.554 -0.135 0.000 2.737 306 T HA 0.035 4.385 4.350 -0.000 0.000 0.265 306 T C 2.134 176.760 174.700 -0.123 0.000 1.038 306 T CA 1.374 63.413 62.100 -0.102 0.000 1.144 306 T CB -0.435 68.383 68.868 -0.083 0.000 0.866 306 T HN 0.558 nan 8.240 nan 0.000 0.434 307 A N -0.286 122.478 122.820 -0.093 0.000 2.225 307 A HA -0.051 4.269 4.320 -0.000 0.000 0.215 307 A C 1.871 179.420 177.584 -0.058 0.000 1.164 307 A CA 0.950 52.931 52.037 -0.093 0.000 0.710 307 A CB -0.805 18.156 19.000 -0.065 0.000 0.780 307 A HN 0.742 nan 8.150 nan 0.000 0.473 308 W N -0.318 120.853 121.300 -0.214 0.000 2.580 308 W HA 0.155 4.815 4.660 -0.000 0.000 0.287 308 W C 1.288 177.660 176.519 -0.246 0.000 1.175 308 W CA 0.808 58.037 57.345 -0.193 0.000 1.409 308 W CB -0.179 29.194 29.460 -0.144 0.000 1.101 308 W HN 0.145 nan 8.180 nan 0.000 0.558 309 L N 1.439 122.448 121.223 -0.356 0.000 2.549 309 L HA -0.139 4.201 4.340 -0.000 0.000 0.230 309 L C 2.280 178.607 176.870 -0.905 0.000 1.162 309 L CA 1.082 55.545 54.840 -0.628 0.000 0.834 309 L CB -0.651 41.228 42.059 -0.299 0.000 0.947 309 L HN 0.001 nan 8.230 nan 0.000 0.452 310 K N -0.151 119.741 120.400 -0.846 0.000 2.076 310 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 310 K C 1.474 177.767 176.600 -0.512 0.000 1.051 310 K CA 1.028 56.828 56.287 -0.811 0.000 0.949 310 K CB 0.168 32.345 32.500 -0.537 0.000 0.726 310 K HN 0.188 nan 8.250 nan 0.000 0.443 311 D N 0.520 120.646 120.400 -0.456 0.000 2.224 311 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 311 D C 0.146 176.204 176.300 -0.404 0.000 0.965 311 D CA 0.847 54.635 54.000 -0.353 0.000 0.852 311 D CB 0.037 40.679 40.800 -0.262 0.000 0.947 311 D HN 0.123 nan 8.370 nan 0.000 0.494 312 N N 0.962 119.291 118.700 -0.619 0.000 2.699 312 N HA 0.123 4.863 4.740 -0.000 0.000 0.232 312 N C -1.947 173.330 175.510 -0.388 0.000 1.027 312 N CA -1.062 51.652 53.050 -0.560 0.000 0.920 312 N CB 2.355 40.279 38.487 -0.937 0.000 1.148 312 N HN -0.027 nan 8.380 nan 0.000 0.509 313 P HA -0.055 nan 4.420 nan 0.000 0.213 313 P C 0.980 178.236 177.300 -0.073 0.000 1.169 313 P CA 1.054 64.088 63.100 -0.110 0.000 0.885 313 P CB 0.564 32.226 31.700 -0.063 0.000 0.779 314 E N -0.440 119.719 120.200 -0.068 0.000 2.085 314 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 314 E C 1.941 178.521 176.600 -0.034 0.000 0.994 314 E CA 2.093 58.473 56.400 -0.033 0.000 0.801 314 E CB -0.732 28.956 29.700 -0.020 0.000 0.743 314 E HN 0.407 nan 8.360 nan 0.000 0.453 315 T N -0.791 113.715 114.554 -0.079 0.000 2.867 315 T HA 0.011 4.361 4.350 -0.000 0.000 0.268 315 T C 2.012 176.654 174.700 -0.097 0.000 1.057 315 T CA 0.865 62.919 62.100 -0.075 0.000 1.136 315 T CB -0.120 68.682 68.868 -0.111 0.000 0.874 315 T HN 0.170 nan 8.240 nan 0.000 0.466 316 A N 2.453 125.208 122.820 -0.108 0.000 1.832 316 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 316 A C 2.382 179.982 177.584 0.027 0.000 1.200 316 A CA 1.643 53.658 52.037 -0.036 0.000 0.610 316 A CB -0.795 18.227 19.000 0.037 0.000 0.842 316 A HN 0.482 nan 8.150 nan 0.000 0.444 317 K N -0.469 119.959 120.400 0.046 0.000 2.207 317 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 317 K C 2.053 178.678 176.600 0.042 0.000 1.046 317 K CA 1.951 58.270 56.287 0.053 0.000 0.929 317 K CB -0.144 32.380 32.500 0.040 0.000 0.720 317 K HN 0.726 nan 8.250 nan 0.000 0.463 318 E N 0.585 120.808 120.200 0.037 0.000 2.028 318 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 318 E C 1.910 178.549 176.600 0.064 0.000 0.988 318 E CA 1.243 57.675 56.400 0.053 0.000 0.799 318 E CB 0.008 29.750 29.700 0.069 0.000 0.755 318 E HN 0.258 nan 8.360 nan 0.000 0.447 319 I N 0.980 121.586 120.570 0.061 0.000 2.315 319 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 319 I C 2.567 178.727 176.117 0.071 0.000 1.117 319 I CA 1.046 62.394 61.300 0.078 0.000 1.404 319 I CB -0.443 37.592 38.000 0.059 0.000 1.071 319 I HN 0.232 nan 8.210 nan 0.000 0.419 320 E N 1.875 122.114 120.200 0.065 0.000 2.082 320 E HA -0.367 3.983 4.350 -0.000 0.000 0.215 320 E C 2.209 178.834 176.600 0.042 0.000 1.048 320 E CA 2.196 58.633 56.400 0.063 0.000 0.869 320 E CB -0.075 29.667 29.700 0.070 0.000 0.773 320 E HN 0.330 nan 8.360 nan 0.000 0.466 321 K N 0.189 120.610 120.400 0.036 0.000 2.009 321 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 321 K C 2.234 178.855 176.600 0.034 0.000 1.049 321 K CA 1.871 58.173 56.287 0.026 0.000 0.929 321 K CB -0.027 32.487 32.500 0.024 0.000 0.714 321 K HN 0.030 nan 8.250 nan 0.000 0.440 322 K N 0.115 120.545 120.400 0.050 0.000 2.281 322 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 322 K C 1.848 178.479 176.600 0.052 0.000 1.046 322 K CA 1.184 57.504 56.287 0.055 0.000 0.938 322 K CB 0.079 32.624 32.500 0.075 0.000 0.737 322 K HN 0.040 nan 8.250 nan 0.000 0.458 323 V N 0.618 120.564 119.914 0.053 0.000 2.346 323 V HA -0.163 3.957 4.120 -0.000 0.000 0.244 323 V C 2.155 178.269 176.094 0.033 0.000 1.037 323 V CA 1.267 63.596 62.300 0.049 0.000 1.029 323 V CB -0.453 31.402 31.823 0.054 0.000 0.663 323 V HN 0.245 nan 8.190 nan 0.000 0.454 324 R N 0.268 120.782 120.500 0.023 0.000 2.113 324 R HA -0.248 4.092 4.340 -0.000 0.000 0.244 324 R C 2.271 178.578 176.300 0.012 0.000 1.142 324 R CA 2.233 58.339 56.100 0.010 0.000 0.953 324 R CB -0.333 29.966 30.300 -0.002 0.000 0.860 324 R HN 0.620 nan 8.270 nan 0.000 0.438 325 E N 0.139 120.349 120.200 0.017 0.000 2.347 325 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 325 E C 1.516 178.128 176.600 0.020 0.000 1.008 325 E CA 0.488 56.898 56.400 0.017 0.000 0.852 325 E CB 0.116 29.827 29.700 0.018 0.000 0.783 325 E HN 0.315 nan 8.360 nan 0.000 0.505 326 L N 0.276 121.514 121.223 0.026 0.000 2.591 326 L HA 0.047 4.387 4.340 -0.000 0.000 0.228 326 L C 1.331 178.217 176.870 0.026 0.000 1.133 326 L CA 0.236 55.093 54.840 0.028 0.000 0.880 326 L CB 0.264 42.344 42.059 0.035 0.000 1.033 326 L HN 0.152 nan 8.230 nan 0.000 0.450 327 L N -2.545 118.691 121.223 0.023 0.000 2.678 327 L HA 0.158 4.498 4.340 -0.000 0.000 0.187 327 L C 0.483 177.363 176.870 0.018 0.000 1.073 327 L CA -0.420 54.434 54.840 0.022 0.000 0.883 327 L CB -0.007 42.067 42.059 0.025 0.000 1.501 327 L HN -0.112 nan 8.230 nan 0.000 0.488 1007 Q N 0.441 120.244 119.800 0.005 0.000 2.403 1007 Q HA 0.177 4.517 4.340 -0.000 0.000 0.203 1007 Q C -0.038 175.967 176.000 0.007 0.000 0.932 1007 Q CA 0.560 56.367 55.803 0.005 0.000 0.945 1007 Q CB 0.333 29.073 28.738 0.005 0.000 1.045 1007 Q HN 0.153 nan 8.270 nan 0.000 0.511 1008 K N -0.783 119.621 120.400 0.007 0.000 2.438 1008 K HA 0.272 4.592 4.320 -0.000 0.000 0.205 1008 K C 0.985 177.590 176.600 0.010 0.000 1.033 1008 K CA 0.033 56.325 56.287 0.009 0.000 1.089 1008 K CB 0.926 33.431 32.500 0.008 0.000 0.857 1008 K HN 0.021 nan 8.250 nan 0.000 0.522 1009 A N 0.726 123.551 122.820 0.009 0.000 2.067 1009 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 1009 A C 1.809 179.401 177.584 0.014 0.000 1.156 1009 A CA 0.786 52.830 52.037 0.011 0.000 0.683 1009 A CB -0.008 18.997 19.000 0.009 0.000 0.808 1009 A HN 0.224 nan 8.150 nan 0.000 0.455 1010 L N -0.730 120.501 121.223 0.014 0.000 2.121 1010 L HA 0.285 4.625 4.340 -0.000 0.000 0.200 1010 L C 2.690 179.571 176.870 0.019 0.000 1.132 1010 L CA 1.656 56.505 54.840 0.017 0.000 0.782 1010 L CB -0.816 41.251 42.059 0.014 0.000 0.940 1010 L HN 0.236 nan 8.230 nan 0.000 0.458 1011 A N -0.274 122.555 122.820 0.016 0.000 1.997 1011 A HA -0.264 4.056 4.320 -0.000 0.000 0.221 1011 A C 2.281 179.875 177.584 0.017 0.000 1.172 1011 A CA 2.363 54.410 52.037 0.017 0.000 0.645 1011 A CB -1.277 17.731 19.000 0.014 0.000 0.813 1011 A HN 0.659 nan 8.150 nan 0.000 0.454 1012 A N -0.634 122.196 122.820 0.016 0.000 1.874 1012 A HA 0.356 4.676 4.320 -0.000 0.000 0.214 1012 A C 2.415 180.011 177.584 0.019 0.000 1.189 1012 A CA 1.537 53.583 52.037 0.015 0.000 0.615 1012 A CB -0.952 18.055 19.000 0.012 0.000 0.830 1012 A HN 1.139 nan 8.150 nan 0.000 0.443 1013 A N -0.692 122.142 122.820 0.022 0.000 2.172 1013 A HA 0.185 4.505 4.320 -0.000 0.000 0.216 1013 A C 2.001 179.608 177.584 0.038 0.000 1.154 1013 A CA 0.846 52.900 52.037 0.028 0.000 0.701 1013 A CB -0.451 18.565 19.000 0.027 0.000 0.789 1013 A HN 0.475 nan 8.150 nan 0.000 0.465 1014 L N -1.140 120.105 121.223 0.036 0.000 2.013 1014 L HA -0.019 4.321 4.340 -0.000 0.000 0.204 1014 L C 2.840 179.738 176.870 0.047 0.000 1.081 1014 L CA 1.103 55.968 54.840 0.043 0.000 0.751 1014 L CB -1.022 41.059 42.059 0.036 0.000 0.901 1014 L HN 0.440 nan 8.230 nan 0.000 0.440 1015 G N -0.908 107.913 108.800 0.036 0.000 2.581 1015 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.223 1015 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.223 1015 G C 1.447 176.367 174.900 0.032 0.000 1.094 1015 G CA 0.497 45.617 45.100 0.032 0.000 0.736 1015 G HN 0.366 nan 8.290 nan 0.000 0.588 1016 Q N -0.175 119.645 119.800 0.033 0.000 2.020 1016 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 1016 Q C 2.728 178.758 176.000 0.049 0.000 0.982 1016 Q CA 1.075 56.895 55.803 0.028 0.000 0.838 1016 Q CB -0.255 28.500 28.738 0.029 0.000 0.899 1016 Q HN 0.497 nan 8.270 nan 0.000 0.423 1017 I N 0.889 121.518 120.570 0.098 0.000 2.493 1017 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 1017 I C 2.038 178.284 176.117 0.216 0.000 1.160 1017 I CA 0.976 62.398 61.300 0.203 0.000 1.445 1017 I CB -1.170 36.947 38.000 0.195 0.000 1.086 1017 I HN 0.219 nan 8.210 nan 0.000 0.433 1018 E N 1.370 121.642 120.200 0.119 0.000 2.006 1018 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 1018 E C 2.156 178.797 176.600 0.069 0.000 0.993 1018 E CA 0.973 57.431 56.400 0.097 0.000 0.808 1018 E CB -0.113 29.623 29.700 0.061 0.000 0.764 1018 E HN 0.379 nan 8.360 nan 0.000 0.449 1019 K N 1.003 121.419 120.400 0.028 0.000 2.152 1019 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 1019 K C 2.145 178.711 176.600 -0.056 0.000 1.048 1019 K CA 1.272 57.554 56.287 -0.008 0.000 0.933 1019 K CB -0.014 32.476 32.500 -0.017 0.000 0.721 1019 K HN 0.073 nan 8.250 nan 0.000 0.447 1020 Q N -1.054 118.687 119.800 -0.099 0.000 2.167 1020 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 1020 Q C 0.288 175.959 176.000 -0.549 0.000 0.970 1020 Q CA 1.195 56.796 55.803 -0.336 0.000 0.855 1020 Q CB 0.231 28.721 28.738 -0.412 0.000 0.911 1020 Q HN 0.240 nan 8.270 nan 0.000 0.438 1021 F N -0.641 119.311 119.950 0.003 0.000 2.764 1021 F HA 0.383 4.910 4.527 -0.000 0.000 0.310 1021 F C 0.271 176.071 175.800 -0.001 0.000 1.124 1021 F CA 0.244 58.246 58.000 0.002 0.000 1.252 1021 F CB 1.363 40.367 39.000 0.006 0.000 1.010 1021 F HN 0.023 nan 8.300 nan 0.000 0.518 1022 G N 1.227 110.090 108.800 0.105 0.000 2.879 1022 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 1022 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 1022 G C -0.652 174.289 174.900 0.068 0.000 1.115 1022 G CA -1.277 43.863 45.100 0.067 0.000 0.770 1022 G HN 0.117 nan 8.290 nan 0.000 0.601 1023 K N 0.916 121.339 120.400 0.039 0.000 2.419 1023 K HA 0.518 4.838 4.320 -0.000 0.000 0.282 1023 K C 1.007 177.629 176.600 0.037 0.000 1.056 1023 K CA 1.499 57.807 56.287 0.035 0.000 1.035 1023 K CB 0.683 33.194 32.500 0.019 0.000 0.921 1023 K HN 2.276 nan 8.250 nan 0.000 0.472 1024 G N 2.458 111.285 108.800 0.045 0.000 2.905 1024 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.245 1024 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.245 1024 G C -0.007 174.923 174.900 0.051 0.000 1.004 1024 G CA -0.016 45.110 45.100 0.043 0.000 1.089 1024 G HN 0.669 nan 8.290 nan 0.000 0.456 1025 S N 0.559 116.296 115.700 0.062 0.000 3.051 1025 S HA 0.571 5.041 4.470 -0.000 0.000 0.250 1025 S C 0.037 174.668 174.600 0.053 0.000 0.906 1025 S CA 0.331 58.566 58.200 0.058 0.000 1.234 1025 S CB 0.160 63.398 63.200 0.063 0.000 1.175 1025 S HN 1.992 nan 8.310 nan 0.000 0.635 1026 I N 1.564 122.170 120.570 0.061 0.000 2.771 1026 I HA 0.611 4.781 4.170 -0.000 0.000 0.291 1026 I C -2.266 173.891 176.117 0.067 0.000 1.527 1026 I CA -0.936 60.404 61.300 0.065 0.000 1.024 1026 I CB 1.926 39.957 38.000 0.051 0.000 1.388 1026 I HN 0.380 nan 8.210 nan 0.000 0.447 1027 M N 4.460 124.105 119.600 0.076 0.000 2.790 1027 M HA 0.503 4.983 4.480 -0.000 0.000 0.272 1027 M C -1.661 174.679 176.300 0.067 0.000 1.168 1027 M CA -1.016 54.323 55.300 0.065 0.000 0.829 1027 M CB 1.902 34.537 32.600 0.057 0.000 1.675 1027 M HN 0.510 nan 8.290 nan 0.000 0.505 1028 R N 0.655 121.184 120.500 0.049 0.000 2.643 1028 R HA 0.347 4.687 4.340 -0.000 0.000 0.270 1028 R C 0.665 176.992 176.300 0.045 0.000 1.061 1028 R CA -0.148 55.975 56.100 0.039 0.000 1.107 1028 R CB 0.673 30.988 30.300 0.025 0.000 0.999 1028 R HN 0.622 nan 8.270 nan 0.000 0.460 1029 L N 1.140 122.387 121.223 0.040 0.000 2.068 1029 L HA 0.035 4.375 4.340 -0.000 0.000 0.204 1029 L C 1.598 178.491 176.870 0.038 0.000 1.076 1029 L CA 1.134 56.005 54.840 0.052 0.000 0.753 1029 L CB -0.229 41.856 42.059 0.044 0.000 0.910 1029 L HN 0.789 nan 8.230 nan 0.000 0.439 1030 G N 1.102 109.916 108.800 0.022 0.000 2.916 1030 G HA2 0.205 4.165 3.960 -0.000 0.000 0.280 1030 G HA3 0.205 4.165 3.960 -0.000 0.000 0.280 1030 G C -0.335 174.576 174.900 0.018 0.000 0.758 1030 G CA -0.009 45.102 45.100 0.018 0.000 1.993 1030 G HN 0.208 nan 8.290 nan 0.000 0.564 1031 E N 0.708 120.921 120.200 0.021 0.000 2.292 1031 E HA 0.170 4.520 4.350 -0.000 0.000 0.272 1031 E C -0.585 176.024 176.600 0.016 0.000 0.881 1031 E CA -0.622 55.789 56.400 0.019 0.000 0.754 1031 E CB 1.941 31.655 29.700 0.022 0.000 1.201 1031 E HN 0.246 nan 8.360 nan 0.000 0.425 1032 D N 0.872 121.279 120.400 0.013 0.000 2.340 1032 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 1032 D C -0.015 176.291 176.300 0.009 0.000 1.039 1032 D CA 0.238 54.244 54.000 0.010 0.000 0.866 1032 D CB 0.268 41.074 40.800 0.009 0.000 0.913 1032 D HN -0.082 nan 8.370 nan 0.000 0.523 1033 R N 1.443 121.950 120.500 0.011 0.000 2.309 1033 R HA 0.161 4.501 4.340 -0.000 0.000 0.331 1033 R C -0.518 175.787 176.300 0.008 0.000 1.116 1033 R CA 0.058 56.164 56.100 0.010 0.000 0.970 1033 R CB 0.072 30.380 30.300 0.014 0.000 1.024 1033 R HN 0.080 nan 8.270 nan 0.000 0.472 1034 S N 4.000 119.702 115.700 0.004 0.000 2.530 1034 S HA 0.352 4.822 4.470 -0.000 0.000 0.322 1034 S C 0.403 175.002 174.600 -0.001 0.000 1.085 1034 S CA -1.097 57.103 58.200 -0.000 0.000 1.096 1034 S CB 1.266 64.463 63.200 -0.005 0.000 0.988 1034 S HN 0.424 nan 8.310 nan 0.000 0.466 1035 M N 1.709 121.309 119.600 -0.000 0.000 2.252 1035 M HA 0.191 4.671 4.480 -0.000 0.000 0.329 1035 M C -0.188 176.109 176.300 -0.005 0.000 1.101 1035 M CA 0.067 55.367 55.300 -0.001 0.000 1.117 1035 M CB -0.343 32.257 32.600 0.001 0.000 1.563 1035 M HN 0.517 nan 8.290 nan 0.000 0.445 1036 D N 2.250 122.648 120.400 -0.004 0.000 2.845 1036 D HA 0.285 4.925 4.640 -0.000 0.000 0.235 1036 D C -0.610 175.685 176.300 -0.009 0.000 1.158 1036 D CA -0.063 53.933 54.000 -0.007 0.000 0.990 1036 D CB 0.096 40.894 40.800 -0.005 0.000 1.094 1036 D HN 0.442 nan 8.370 nan 0.000 0.486 1037 V N -1.343 118.564 119.914 -0.011 0.000 2.716 1037 V HA 0.414 4.534 4.120 -0.000 0.000 0.304 1037 V C 0.583 176.666 176.094 -0.018 0.000 1.053 1037 V CA -1.052 61.240 62.300 -0.014 0.000 0.984 1037 V CB 1.770 33.584 31.823 -0.015 0.000 1.021 1037 V HN 0.073 nan 8.190 nan 0.000 0.467 1038 E N 2.126 122.314 120.200 -0.019 0.000 2.415 1038 E HA 0.254 4.604 4.350 -0.000 0.000 0.263 1038 E C 0.038 176.621 176.600 -0.028 0.000 0.995 1038 E CA 0.306 56.693 56.400 -0.022 0.000 0.915 1038 E CB 0.935 30.623 29.700 -0.020 0.000 0.951 1038 E HN 1.007 nan 8.360 nan 0.000 0.449 1039 T N 1.088 115.624 114.554 -0.030 0.000 2.797 1039 T HA 0.527 4.877 4.350 -0.000 0.000 0.279 1039 T C -0.199 174.476 174.700 -0.042 0.000 0.991 1039 T CA -0.903 61.174 62.100 -0.038 0.000 0.979 1039 T CB 0.861 69.707 68.868 -0.038 0.000 0.943 1039 T HN 0.149 nan 8.240 nan 0.000 0.444 1040 I N 2.716 123.256 120.570 -0.049 0.000 2.418 1040 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 1040 I C 0.699 176.774 176.117 -0.070 0.000 1.008 1040 I CA -0.575 60.692 61.300 -0.054 0.000 1.104 1040 I CB 1.713 39.683 38.000 -0.050 0.000 1.264 1040 I HN 0.844 nan 8.210 nan 0.000 0.438 1041 S N 3.525 119.177 115.700 -0.079 0.000 2.537 1041 S HA 0.030 4.500 4.470 -0.000 0.000 0.286 1041 S C 1.580 176.104 174.600 -0.126 0.000 1.299 1041 S CA 0.082 58.215 58.200 -0.112 0.000 1.067 1041 S CB 0.389 63.515 63.200 -0.123 0.000 0.864 1041 S HN 0.781 nan 8.310 nan 0.000 0.494 1042 T N 2.404 116.867 114.554 -0.152 0.000 3.035 1042 T HA 0.239 4.589 4.350 -0.000 0.000 0.268 1042 T C 1.543 176.131 174.700 -0.186 0.000 1.109 1042 T CA 0.924 62.934 62.100 -0.151 0.000 1.119 1042 T CB -0.366 68.405 68.868 -0.161 0.000 0.900 1042 T HN 1.348 nan 8.240 nan 0.000 0.503 1043 G N 0.623 109.274 108.800 -0.247 0.000 2.284 1043 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 1043 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 1043 G C 0.303 174.916 174.900 -0.478 0.000 1.009 1043 G CA 0.162 45.079 45.100 -0.305 0.000 0.625 1043 G HN 1.108 nan 8.290 nan 0.000 0.501 1044 S N 1.345 116.744 115.700 -0.503 0.000 2.433 1044 S HA 0.666 5.136 4.470 -0.000 0.000 0.310 1044 S C 1.762 176.067 174.600 -0.490 0.000 1.097 1044 S CA -0.429 57.379 58.200 -0.653 0.000 1.103 1044 S CB 0.734 63.331 63.200 -1.006 0.000 0.992 1044 S HN 0.339 nan 8.310 nan 0.000 0.469 1045 L N 4.169 125.104 121.223 -0.480 0.000 1.990 1045 L HA -0.130 4.210 4.340 -0.000 0.000 0.213 1045 L C 2.858 179.593 176.870 -0.226 0.000 1.072 1045 L CA 2.380 57.030 54.840 -0.316 0.000 0.755 1045 L CB -1.572 40.330 42.059 -0.261 0.000 0.889 1045 L HN 0.926 nan 8.230 nan 0.000 0.432 1046 S N -0.685 114.880 115.700 -0.225 0.000 2.442 1046 S HA -0.180 4.290 4.470 -0.000 0.000 0.236 1046 S C 1.930 176.461 174.600 -0.115 0.000 1.007 1046 S CA 0.862 58.987 58.200 -0.124 0.000 0.965 1046 S CB -0.525 62.647 63.200 -0.048 0.000 0.773 1046 S HN 0.393 nan 8.310 nan 0.000 0.504 1047 L N 1.405 122.508 121.223 -0.199 0.000 2.034 1047 L HA -0.067 4.273 4.340 -0.000 0.000 0.203 1047 L C 2.116 178.914 176.870 -0.121 0.000 1.074 1047 L CA 1.742 56.497 54.840 -0.142 0.000 0.748 1047 L CB -0.534 41.412 42.059 -0.189 0.000 0.905 1047 L HN 0.156 nan 8.230 nan 0.000 0.439 1048 D N 0.281 120.590 120.400 -0.152 0.000 2.170 1048 D HA -0.270 4.370 4.640 -0.000 0.000 0.193 1048 D C 2.106 178.356 176.300 -0.084 0.000 1.004 1048 D CA 1.704 55.633 54.000 -0.119 0.000 0.860 1048 D CB -0.276 40.443 40.800 -0.135 0.000 0.931 1048 D HN 0.368 nan 8.370 nan 0.000 0.448 1049 I N 0.869 121.391 120.570 -0.080 0.000 2.127 1049 I HA -0.278 3.892 4.170 -0.000 0.000 0.241 1049 I C 2.378 178.475 176.117 -0.033 0.000 1.075 1049 I CA 1.463 62.734 61.300 -0.049 0.000 1.334 1049 I CB -0.158 37.817 38.000 -0.041 0.000 1.040 1049 I HN -0.046 nan 8.210 nan 0.000 0.405 1050 A N -0.015 122.785 122.820 -0.033 0.000 2.119 1050 A HA -0.008 4.312 4.320 -0.000 0.000 0.216 1050 A C 2.255 179.820 177.584 -0.033 0.000 1.152 1050 A CA 0.678 52.703 52.037 -0.019 0.000 0.708 1050 A CB -0.591 18.406 19.000 -0.004 0.000 0.805 1050 A HN 0.366 nan 8.150 nan 0.000 0.460 1051 L N -1.458 119.735 121.223 -0.050 0.000 2.042 1051 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 1051 L C 2.297 179.141 176.870 -0.044 0.000 1.076 1051 L CA 1.554 56.359 54.840 -0.058 0.000 0.749 1051 L CB -0.295 41.724 42.059 -0.067 0.000 0.893 1051 L HN 0.607 nan 8.230 nan 0.000 0.432 1052 G N -1.916 106.863 108.800 -0.035 0.000 2.397 1052 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.211 1052 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.211 1052 G C 1.043 175.927 174.900 -0.025 0.000 1.077 1052 G CA 0.424 45.510 45.100 -0.023 0.000 0.649 1052 G HN 0.449 nan 8.290 nan 0.000 0.511 1053 A N 0.463 123.263 122.820 -0.033 0.000 2.072 1053 A HA 0.544 4.864 4.320 -0.000 0.000 0.216 1053 A C 2.480 180.042 177.584 -0.037 0.000 1.156 1053 A CA 2.166 54.184 52.037 -0.031 0.000 0.701 1053 A CB -0.496 18.484 19.000 -0.034 0.000 0.816 1053 A HN 2.591 nan 8.150 nan 0.000 0.458 1054 G N -2.116 106.656 108.800 -0.047 0.000 2.203 1054 G HA2 0.401 4.361 3.960 -0.000 0.000 0.231 1054 G HA3 0.401 4.361 3.960 -0.000 0.000 0.231 1054 G C 0.757 175.617 174.900 -0.067 0.000 1.058 1054 G CA 0.304 45.369 45.100 -0.057 0.000 0.781 1054 G HN 2.278 nan 8.290 nan 0.000 0.496 1055 G N -1.575 107.182 108.800 -0.071 0.000 2.347 1055 G HA2 0.441 4.401 3.960 -0.000 0.000 0.321 1055 G HA3 0.441 4.401 3.960 -0.000 0.000 0.321 1055 G C -0.527 174.334 174.900 -0.066 0.000 1.412 1055 G CA -0.565 44.490 45.100 -0.075 0.000 0.990 1055 G HN 0.982 nan 8.290 nan 0.000 0.637 1056 L N 1.827 123.010 121.223 -0.066 0.000 2.367 1056 L HA 0.334 4.674 4.340 -0.000 0.000 0.275 1056 L C -1.496 175.343 176.870 -0.051 0.000 1.129 1056 L CA -1.619 53.184 54.840 -0.061 0.000 0.839 1056 L CB 1.167 43.189 42.059 -0.062 0.000 1.133 1056 L HN 0.327 nan 8.230 nan 0.000 0.453 1057 P HA -0.059 nan 4.420 nan 0.000 0.257 1057 P C -0.173 177.104 177.300 -0.037 0.000 1.227 1057 P CA 0.033 63.109 63.100 -0.039 0.000 0.981 1057 P CB 0.236 31.913 31.700 -0.038 0.000 1.044 1058 M N 2.666 122.245 119.600 -0.034 0.000 2.409 1058 M HA 0.011 4.491 4.480 -0.000 0.000 0.376 1058 M C 1.467 177.751 176.300 -0.028 0.000 1.631 1058 M CA 1.492 56.773 55.300 -0.032 0.000 0.987 1058 M CB -1.008 31.576 32.600 -0.027 0.000 2.090 1058 M HN 0.778 nan 8.290 nan 0.000 0.474 1059 G N 3.578 112.360 108.800 -0.030 0.000 2.130 1059 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.216 1059 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.216 1059 G C 0.006 174.891 174.900 -0.025 0.000 0.999 1059 G CA -0.421 44.664 45.100 -0.025 0.000 0.686 1059 G HN 0.585 nan 8.290 nan 0.000 0.515 1060 R N -0.988 119.493 120.500 -0.031 0.000 2.922 1060 R HA 0.711 5.051 4.340 -0.000 0.000 0.256 1060 R C -0.272 176.010 176.300 -0.030 0.000 1.138 1060 R CA -1.002 55.082 56.100 -0.026 0.000 0.995 1060 R CB 0.947 31.230 30.300 -0.028 0.000 1.226 1060 R HN 0.183 nan 8.270 nan 0.000 0.481 1061 I N 1.476 122.043 120.570 -0.005 0.000 2.321 1061 I HA 0.289 4.459 4.170 -0.000 0.000 0.291 1061 I C -0.371 175.754 176.117 0.014 0.000 0.998 1061 I CA -0.852 60.454 61.300 0.010 0.000 1.227 1061 I CB 1.768 39.837 38.000 0.115 0.000 1.368 1061 I HN 0.007 nan 8.210 nan 0.000 0.466 1062 V N 6.123 126.027 119.914 -0.017 0.000 2.409 1062 V HA 0.282 4.402 4.120 -0.000 0.000 0.291 1062 V C -0.033 176.083 176.094 0.037 0.000 1.020 1062 V CA -0.655 61.636 62.300 -0.015 0.000 0.848 1062 V CB 1.643 33.437 31.823 -0.049 0.000 0.990 1062 V HN 0.709 nan 8.190 nan 0.000 0.430 1063 E N 5.222 125.449 120.200 0.045 0.000 2.109 1063 E HA 0.490 4.840 4.350 -0.000 0.000 0.278 1063 E C -1.117 175.467 176.600 -0.027 0.000 0.954 1063 E CA -0.582 55.869 56.400 0.085 0.000 0.779 1063 E CB 1.079 30.840 29.700 0.101 0.000 1.093 1063 E HN 0.683 nan 8.360 nan 0.000 0.401 1064 I N 6.564 127.135 120.570 0.003 0.000 2.307 1064 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 1064 I C -0.509 175.632 176.117 0.041 0.000 1.054 1064 I CA -0.967 60.303 61.300 -0.050 0.000 1.218 1064 I CB -0.101 37.891 38.000 -0.013 0.000 1.398 1064 I HN 0.431 nan 8.210 nan 0.000 0.475 1065 Y N 4.273 124.575 120.300 0.003 0.000 2.496 1065 Y HA 0.970 5.520 4.550 -0.000 0.000 0.331 1065 Y C 0.034 175.933 175.900 -0.002 0.000 1.140 1065 Y CA -2.498 55.601 58.100 -0.001 0.000 1.166 1065 Y CB 1.438 39.889 38.460 -0.015 0.000 1.249 1065 Y HN 0.571 nan 8.280 nan 0.000 0.479 1066 G N 1.563 110.568 108.800 0.342 0.000 2.433 1066 G HA2 0.375 4.335 3.960 -0.000 0.000 0.306 1066 G HA3 0.375 4.335 3.960 -0.000 0.000 0.306 1066 G C -3.493 171.455 174.900 0.080 0.000 1.627 1066 G CA -1.345 43.883 45.100 0.212 0.000 0.893 1066 G HN 0.491 nan 8.290 nan 0.000 0.648 1067 P HA -0.046 nan 4.420 nan 0.000 0.263 1067 P C 0.813 178.119 177.300 0.010 0.000 1.145 1067 P CA 0.725 63.830 63.100 0.008 0.000 0.755 1067 P CB 0.252 31.956 31.700 0.006 0.000 0.746 1068 E N 1.927 122.126 120.200 -0.001 0.000 2.534 1068 E HA -0.036 4.314 4.350 -0.000 0.000 0.264 1068 E C -0.199 176.395 176.600 -0.009 0.000 0.981 1068 E CA 0.062 56.460 56.400 -0.003 0.000 0.948 1068 E CB -0.368 29.327 29.700 -0.009 0.000 0.934 1068 E HN 0.344 nan 8.360 nan 0.000 0.459 1069 S N 1.071 116.762 115.700 -0.016 0.000 3.587 1069 S HA -0.215 4.255 4.470 -0.000 0.000 0.337 1069 S C 0.824 175.403 174.600 -0.034 0.000 1.119 1069 S CA 0.946 59.126 58.200 -0.035 0.000 0.976 1069 S CB -2.064 61.114 63.200 -0.037 0.000 0.922 1069 S HN 0.761 nan 8.310 nan 0.000 0.503 1070 S N -0.223 115.466 115.700 -0.018 0.000 2.439 1070 S HA 0.464 4.934 4.470 -0.000 0.000 0.224 1070 S C 1.730 176.312 174.600 -0.030 0.000 1.029 1070 S CA 0.707 58.897 58.200 -0.016 0.000 0.946 1070 S CB 0.373 63.579 63.200 0.009 0.000 0.797 1070 S HN 1.837 nan 8.310 nan 0.000 0.504 1071 G N 2.037 110.825 108.800 -0.021 0.000 2.425 1071 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.177 1071 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.177 1071 G C 0.861 175.778 174.900 0.028 0.000 0.999 1071 G CA 0.156 45.248 45.100 -0.013 0.000 0.723 1071 G HN 0.488 nan 8.290 nan 0.000 0.491 1072 K N -0.089 120.331 120.400 0.033 0.000 2.034 1072 K HA -0.169 4.151 4.320 -0.000 0.000 0.214 1072 K C 1.968 178.605 176.600 0.062 0.000 1.051 1072 K CA 2.049 58.367 56.287 0.051 0.000 0.931 1072 K CB -0.902 31.632 32.500 0.056 0.000 0.715 1072 K HN 0.159 nan 8.250 nan 0.000 0.446 1073 T N 0.751 115.342 114.554 0.063 0.000 2.867 1073 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 1073 T C 1.715 176.475 174.700 0.100 0.000 1.057 1073 T CA 1.812 63.963 62.100 0.085 0.000 1.136 1073 T CB -0.403 68.519 68.868 0.090 0.000 0.874 1073 T HN 0.454 nan 8.240 nan 0.000 0.466 1074 T N 2.285 116.907 114.554 0.113 0.000 2.652 1074 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 1074 T C 1.859 176.618 174.700 0.099 0.000 1.039 1074 T CA 1.259 63.460 62.100 0.169 0.000 1.153 1074 T CB -0.586 68.398 68.868 0.194 0.000 0.863 1074 T HN 0.294 nan 8.240 nan 0.000 0.428 1075 L N 0.513 121.792 121.223 0.093 0.000 2.079 1075 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 1075 L C 2.553 179.441 176.870 0.029 0.000 1.081 1075 L CA 1.494 56.373 54.840 0.065 0.000 0.752 1075 L CB -0.685 41.428 42.059 0.090 0.000 0.896 1075 L HN 0.263 nan 8.230 nan 0.000 0.433 1076 T N -0.004 114.577 114.554 0.045 0.000 2.674 1076 T HA -0.184 4.166 4.350 -0.000 0.000 0.265 1076 T C 1.709 176.424 174.700 0.026 0.000 1.039 1076 T CA 1.670 63.796 62.100 0.043 0.000 1.150 1076 T CB -0.217 68.699 68.868 0.080 0.000 0.864 1076 T HN 0.172 nan 8.240 nan 0.000 0.427 1077 L N 1.240 122.477 121.223 0.023 0.000 2.353 1077 L HA -0.002 4.338 4.340 -0.000 0.000 0.220 1077 L C 2.572 179.411 176.870 -0.051 0.000 1.133 1077 L CA 1.357 56.180 54.840 -0.028 0.000 0.798 1077 L CB -0.557 41.482 42.059 -0.032 0.000 0.922 1077 L HN 0.229 nan 8.230 nan 0.000 0.445 1078 Q N -0.995 118.782 119.800 -0.038 0.000 2.187 1078 Q HA -0.056 4.284 4.340 -0.000 0.000 0.199 1078 Q C 2.321 178.281 176.000 -0.067 0.000 0.957 1078 Q CA 1.586 57.351 55.803 -0.062 0.000 0.857 1078 Q CB -0.009 28.692 28.738 -0.061 0.000 0.929 1078 Q HN 0.567 nan 8.270 nan 0.000 0.453 1079 V N -1.328 118.554 119.914 -0.054 0.000 2.307 1079 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 1079 V C 2.257 178.321 176.094 -0.049 0.000 1.045 1079 V CA 1.258 63.525 62.300 -0.056 0.000 1.024 1079 V CB -0.979 30.815 31.823 -0.048 0.000 0.651 1079 V HN 0.154 nan 8.190 nan 0.000 0.449 1080 I N 1.326 121.871 120.570 -0.041 0.000 2.315 1080 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 1080 I C 2.895 178.979 176.117 -0.056 0.000 1.125 1080 I CA 1.633 62.907 61.300 -0.044 0.000 1.392 1080 I CB -0.722 37.247 38.000 -0.052 0.000 1.065 1080 I HN 0.401 nan 8.210 nan 0.000 0.424 1081 A N 1.037 123.818 122.820 -0.064 0.000 1.835 1081 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 1081 A C 2.579 180.132 177.584 -0.053 0.000 1.199 1081 A CA 2.027 54.025 52.037 -0.065 0.000 0.615 1081 A CB -1.071 17.884 19.000 -0.074 0.000 0.838 1081 A HN 0.410 nan 8.150 nan 0.000 0.444 1082 A N -0.594 122.193 122.820 -0.055 0.000 1.972 1082 A HA 0.183 4.503 4.320 -0.000 0.000 0.219 1082 A C 2.399 179.959 177.584 -0.041 0.000 1.169 1082 A CA 2.091 54.099 52.037 -0.048 0.000 0.635 1082 A CB -0.841 18.122 19.000 -0.063 0.000 0.810 1082 A HN 1.097 nan 8.150 nan 0.000 0.446 1083 A N -1.253 121.541 122.820 -0.042 0.000 1.970 1083 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 1083 A C 2.051 179.617 177.584 -0.030 0.000 1.170 1083 A CA 1.235 53.251 52.037 -0.035 0.000 0.645 1083 A CB -0.330 18.649 19.000 -0.035 0.000 0.816 1083 A HN 0.586 nan 8.150 nan 0.000 0.447 1084 Q N -1.143 118.636 119.800 -0.034 0.000 2.378 1084 Q HA 0.037 4.377 4.340 -0.000 0.000 0.205 1084 Q C 1.850 177.833 176.000 -0.028 0.000 0.954 1084 Q CA 0.516 56.300 55.803 -0.031 0.000 0.901 1084 Q CB 0.081 28.796 28.738 -0.039 0.000 0.981 1084 Q HN 0.585 nan 8.270 nan 0.000 0.483 1085 R N 0.356 120.839 120.500 -0.028 0.000 2.317 1085 R HA 0.033 4.373 4.340 -0.000 0.000 0.208 1085 R C 0.234 176.523 176.300 -0.019 0.000 0.914 1085 R CA 0.272 56.359 56.100 -0.023 0.000 1.060 1085 R CB 0.532 30.819 30.300 -0.022 0.000 1.015 1085 R HN 0.089 nan 8.270 nan 0.000 0.498 1086 E N -0.664 119.524 120.200 -0.020 0.000 2.830 1086 E HA 0.147 4.497 4.350 -0.000 0.000 0.225 1086 E C 0.294 176.884 176.600 -0.016 0.000 1.109 1086 E CA 0.065 56.455 56.400 -0.017 0.000 1.392 1086 E CB 0.992 30.681 29.700 -0.018 0.000 1.349 1086 E HN 0.457 nan 8.360 nan 0.000 0.433 1087 G N 1.649 110.440 108.800 -0.015 0.000 2.451 1087 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.253 1087 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.253 1087 G C 0.499 175.392 174.900 -0.013 0.000 1.033 1087 G CA 0.576 45.668 45.100 -0.013 0.000 0.633 1087 G HN 0.325 nan 8.290 nan 0.000 0.537 1088 K N 1.592 121.983 120.400 -0.015 0.000 2.380 1088 K HA 0.439 4.759 4.320 -0.000 0.000 0.267 1088 K C 0.422 177.014 176.600 -0.014 0.000 0.990 1088 K CA 0.931 57.210 56.287 -0.014 0.000 0.946 1088 K CB 0.416 32.906 32.500 -0.017 0.000 0.937 1088 K HN 0.441 nan 8.250 nan 0.000 0.491 1089 T N -1.197 113.351 114.554 -0.010 0.000 2.841 1089 T HA 0.539 4.889 4.350 -0.000 0.000 0.283 1089 T C -0.225 174.473 174.700 -0.003 0.000 1.000 1089 T CA -0.971 61.125 62.100 -0.007 0.000 0.977 1089 T CB 0.619 69.486 68.868 -0.002 0.000 0.979 1089 T HN 0.574 nan 8.240 nan 0.000 0.446 1090 C N 1.637 120.937 119.300 -0.001 0.000 2.667 1090 C HA 0.989 5.449 4.460 -0.000 0.000 0.323 1090 C C 0.550 175.558 174.990 0.030 0.000 1.214 1090 C CA -1.019 58.003 59.018 0.006 0.000 1.721 1090 C CB 1.042 28.782 27.740 -0.000 0.000 2.275 1090 C HN 1.226 nan 8.230 nan 0.000 0.491 1091 A N 0.788 123.633 122.820 0.042 0.000 2.340 1091 A HA 0.862 5.182 4.320 -0.000 0.000 0.331 1091 A C -1.303 176.371 177.584 0.151 0.000 1.140 1091 A CA -0.200 51.880 52.037 0.071 0.000 0.801 1091 A CB 0.736 19.752 19.000 0.026 0.000 1.234 1091 A HN 0.863 nan 8.150 nan 0.000 0.469 1092 F N 3.693 123.623 119.950 -0.034 0.000 2.610 1092 F HA 0.479 5.006 4.527 -0.000 0.000 0.355 1092 F C -1.003 174.790 175.800 -0.011 0.000 1.140 1092 F CA -1.113 56.864 58.000 -0.038 0.000 1.037 1092 F CB 1.069 40.032 39.000 -0.062 0.000 1.287 1092 F HN 0.357 nan 8.300 nan 0.000 0.457 1093 I N 4.336 124.677 120.570 -0.381 0.000 2.301 1093 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 1093 I C -0.468 175.320 176.117 -0.548 0.000 1.046 1093 I CA -0.283 60.833 61.300 -0.308 0.000 1.282 1093 I CB 0.870 38.753 38.000 -0.195 0.000 1.409 1093 I HN 0.517 nan 8.210 nan 0.000 0.484 1094 D N 5.143 125.305 120.400 -0.397 0.000 2.453 1094 D HA 0.580 5.220 4.640 -0.000 0.000 0.238 1094 D C 0.355 176.524 176.300 -0.219 0.000 1.088 1094 D CA -0.405 53.377 54.000 -0.363 0.000 0.854 1094 D CB 1.656 42.404 40.800 -0.087 0.000 1.076 1094 D HN 0.577 nan 8.370 nan 0.000 0.533 1095 A N 3.726 126.411 122.820 -0.225 0.000 2.390 1095 A HA 0.120 4.440 4.320 -0.000 0.000 0.232 1095 A C 1.549 178.925 177.584 -0.346 0.000 1.233 1095 A CA -0.090 51.821 52.037 -0.210 0.000 0.907 1095 A CB 0.141 19.142 19.000 0.002 0.000 0.967 1095 A HN 0.544 nan 8.150 nan 0.000 0.512 1096 E N -0.199 119.847 120.200 -0.258 0.000 2.190 1096 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 1096 E C -0.499 176.097 176.600 -0.007 0.000 0.978 1096 E CA 0.583 56.925 56.400 -0.097 0.000 0.839 1096 E CB -0.244 29.468 29.700 0.020 0.000 0.787 1096 E HN 0.785 nan 8.360 nan 0.000 0.473 1097 H N -1.055 118.135 119.070 0.201 0.000 2.819 1097 H HA -0.186 4.370 4.556 -0.000 0.000 0.315 1097 H C 0.485 175.985 175.328 0.288 0.000 1.242 1097 H CA 0.066 56.240 56.048 0.209 0.000 1.157 1097 H CB -1.456 28.316 29.762 0.016 0.000 1.451 1097 H HN 0.275 nan 8.280 nan 0.000 0.430 1098 A N 0.616 123.730 122.820 0.490 0.000 2.579 1098 A HA 0.513 4.833 4.320 -0.000 0.000 0.220 1098 A C 0.878 178.712 177.584 0.416 0.000 2.352 1098 A CA 0.086 52.340 52.037 0.363 0.000 1.183 1098 A CB -0.030 19.104 19.000 0.224 0.000 1.311 1098 A HN 0.738 nan 8.150 nan 0.000 0.534 1099 L N 1.025 122.396 121.223 0.247 0.000 3.555 1099 L HA -0.175 4.165 4.340 -0.000 0.000 0.538 1099 L C -1.016 175.881 176.870 0.044 0.000 1.001 1099 L CA 0.713 55.551 54.840 -0.003 0.000 1.130 1099 L CB -1.098 40.674 42.059 -0.478 0.000 0.876 1099 L HN 0.564 nan 8.230 nan 0.000 0.674 1100 D N 8.055 128.486 120.400 0.052 0.000 2.365 1100 D HA 0.289 4.929 4.640 -0.000 0.000 0.237 1100 D C -1.339 174.993 176.300 0.053 0.000 1.190 1100 D CA -1.762 52.292 54.000 0.090 0.000 0.867 1100 D CB 1.114 41.967 40.800 0.089 0.000 1.050 1100 D HN 0.398 nan 8.370 nan 0.000 0.491 1101 P HA -0.197 nan 4.420 nan 0.000 0.214 1101 P C 1.828 179.140 177.300 0.019 0.000 1.163 1101 P CA 0.652 63.743 63.100 -0.014 0.000 0.889 1101 P CB 0.443 32.163 31.700 0.033 0.000 0.790 1102 I N -1.333 119.276 120.570 0.065 0.000 2.208 1102 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1102 I C 2.672 178.841 176.117 0.087 0.000 1.097 1102 I CA 1.675 63.016 61.300 0.069 0.000 1.363 1102 I CB -1.412 36.638 38.000 0.082 0.000 1.051 1102 I HN -0.046 nan 8.210 nan 0.000 0.413 1103 Y N 1.772 122.066 120.300 -0.011 0.000 2.242 1103 Y HA -0.192 4.358 4.550 -0.000 0.000 0.291 1103 Y C 2.600 178.478 175.900 -0.036 0.000 1.137 1103 Y CA 1.798 59.888 58.100 -0.016 0.000 1.181 1103 Y CB -0.072 38.378 38.460 -0.017 0.000 0.989 1103 Y HN 0.120 nan 8.280 nan 0.000 0.527 1104 A N 0.493 123.291 122.820 -0.037 0.000 1.933 1104 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 1104 A C 2.309 179.800 177.584 -0.155 0.000 1.175 1104 A CA 1.730 53.680 52.037 -0.145 0.000 0.628 1104 A CB -0.700 18.220 19.000 -0.134 0.000 0.814 1104 A HN 0.525 nan 8.150 nan 0.000 0.444 1105 R N -0.398 120.042 120.500 -0.099 0.000 2.092 1105 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 1105 R C 2.058 178.303 176.300 -0.091 0.000 1.119 1105 R CA 1.476 57.529 56.100 -0.078 0.000 0.970 1105 R CB -0.162 30.114 30.300 -0.040 0.000 0.864 1105 R HN 0.465 nan 8.270 nan 0.000 0.440 1106 K N 0.265 120.598 120.400 -0.110 0.000 2.148 1106 K HA -0.086 4.234 4.320 -0.000 0.000 0.204 1106 K C 2.027 178.520 176.600 -0.179 0.000 1.050 1106 K CA 0.775 56.991 56.287 -0.118 0.000 0.942 1106 K CB 0.010 32.451 32.500 -0.097 0.000 0.724 1106 K HN 0.229 nan 8.250 nan 0.000 0.446 1107 L N -0.671 120.381 121.223 -0.285 0.000 2.141 1107 L HA -0.120 4.220 4.340 -0.000 0.000 0.209 1107 L C 1.368 178.141 176.870 -0.162 0.000 1.094 1107 L CA 1.404 56.068 54.840 -0.292 0.000 0.763 1107 L CB 0.034 41.852 42.059 -0.402 0.000 0.908 1107 L HN 0.535 nan 8.230 nan 0.000 0.437 1108 G N -1.477 107.245 108.800 -0.130 0.000 2.370 1108 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.174 1108 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.174 1108 G C -0.050 174.800 174.900 -0.082 0.000 1.002 1108 G CA -0.204 44.844 45.100 -0.087 0.000 0.730 1108 G HN 0.007 nan 8.290 nan 0.000 0.497 1109 V N 1.727 121.580 119.914 -0.101 0.000 2.530 1109 V HA 0.435 4.555 4.120 -0.000 0.000 0.282 1109 V C 0.145 176.189 176.094 -0.084 0.000 1.048 1109 V CA -0.478 61.763 62.300 -0.098 0.000 0.997 1109 V CB 1.727 33.473 31.823 -0.130 0.000 0.987 1109 V HN 0.260 nan 8.190 nan 0.000 0.477 1110 D N 4.384 124.743 120.400 -0.069 0.000 2.435 1110 D HA 0.158 4.798 4.640 -0.000 0.000 0.230 1110 D C 1.026 177.288 176.300 -0.063 0.000 1.215 1110 D CA -0.268 53.699 54.000 -0.055 0.000 0.947 1110 D CB 0.639 41.414 40.800 -0.040 0.000 1.048 1110 D HN 0.288 nan 8.370 nan 0.000 0.512 1111 I N 2.730 123.258 120.570 -0.070 0.000 2.208 1111 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 1111 I C 1.357 177.443 176.117 -0.052 0.000 1.097 1111 I CA 1.134 62.385 61.300 -0.082 0.000 1.363 1111 I CB -0.670 37.281 38.000 -0.082 0.000 1.051 1111 I HN 0.361 nan 8.210 nan 0.000 0.413 1112 D N 0.811 121.192 120.400 -0.031 0.000 2.190 1112 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 1112 D C 1.535 177.829 176.300 -0.010 0.000 0.992 1112 D CA 1.094 55.086 54.000 -0.013 0.000 0.854 1112 D CB -0.202 40.594 40.800 -0.008 0.000 0.936 1112 D HN 0.301 nan 8.370 nan 0.000 0.462 1113 N N -0.213 118.477 118.700 -0.018 0.000 2.299 1113 N HA 0.050 4.790 4.740 -0.000 0.000 0.187 1113 N C 0.097 175.600 175.510 -0.013 0.000 1.099 1113 N CA -0.083 52.960 53.050 -0.012 0.000 0.867 1113 N CB 0.254 38.733 38.487 -0.014 0.000 0.974 1113 N HN 0.191 nan 8.380 nan 0.000 0.477 1114 L N 1.921 123.127 121.223 -0.028 0.000 2.410 1114 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 1114 L C -0.432 176.440 176.870 0.004 0.000 1.152 1114 L CA -0.097 54.724 54.840 -0.033 0.000 0.855 1114 L CB 0.343 42.345 42.059 -0.095 0.000 1.129 1114 L HN -0.002 nan 8.230 nan 0.000 0.463 1115 L N 6.044 127.286 121.223 0.031 0.000 2.260 1115 L HA 0.272 4.612 4.340 -0.000 0.000 0.289 1115 L C 0.066 177.005 176.870 0.115 0.000 1.057 1115 L CA -0.257 54.621 54.840 0.063 0.000 0.811 1115 L CB 1.100 43.193 42.059 0.056 0.000 1.184 1115 L HN 0.627 nan 8.230 nan 0.000 0.429 1116 C N 3.091 122.472 119.300 0.136 0.000 2.379 1116 C HA 0.747 5.206 4.460 -0.000 0.000 0.323 1116 C C 0.233 175.344 174.990 0.202 0.000 1.262 1116 C CA -0.381 58.774 59.018 0.227 0.000 1.581 1116 C CB 1.303 29.185 27.740 0.238 0.000 2.221 1116 C HN 0.837 nan 8.230 nan 0.000 0.497 1117 S N 4.339 120.156 115.700 0.195 0.000 2.519 1117 S HA 0.539 5.009 4.470 -0.000 0.000 0.309 1117 S C -0.963 173.718 174.600 0.134 0.000 1.100 1117 S CA -0.283 57.990 58.200 0.123 0.000 1.059 1117 S CB 1.190 64.418 63.200 0.046 0.000 1.008 1117 S HN 0.902 nan 8.310 nan 0.000 0.478 1118 Q N 4.100 123.991 119.800 0.152 0.000 2.700 1118 Q HA 0.348 4.688 4.340 -0.000 0.000 0.249 1118 Q C -2.544 173.549 176.000 0.156 0.000 1.033 1118 Q CA -1.893 54.020 55.803 0.183 0.000 0.804 1118 Q CB 1.333 30.220 28.738 0.249 0.000 1.164 1118 Q HN 0.493 nan 8.270 nan 0.000 0.500 1119 P HA -0.033 nan 4.420 nan 0.000 0.275 1119 P C 0.186 177.556 177.300 0.116 0.000 1.228 1119 P CA -0.179 62.949 63.100 0.047 0.000 0.786 1119 P CB 0.910 32.585 31.700 -0.041 0.000 0.927 1120 D N -0.079 120.356 120.400 0.058 0.000 2.310 1120 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 1120 D C 0.114 176.300 176.300 -0.191 0.000 0.965 1120 D CA 1.212 55.251 54.000 0.064 0.000 0.879 1120 D CB 0.564 41.418 40.800 0.090 0.000 0.921 1120 D HN 0.398 nan 8.370 nan 0.000 0.510 1121 T N -3.476 110.908 114.554 -0.284 0.000 2.774 1121 T HA 0.335 4.685 4.350 -0.000 0.000 0.325 1121 T C 1.023 175.511 174.700 -0.353 0.000 1.753 1121 T CA 0.053 61.839 62.100 -0.524 0.000 1.024 1121 T CB 0.707 69.304 68.868 -0.451 0.000 1.628 1121 T HN -0.062 nan 8.240 nan 0.000 0.497 1122 G N 1.401 109.972 108.800 -0.383 0.000 2.721 1122 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 1122 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 1122 G C 0.983 175.785 174.900 -0.163 0.000 1.265 1122 G CA 1.989 46.952 45.100 -0.227 0.000 0.796 1122 G HN 0.845 nan 8.290 nan 0.000 0.620 1123 E N -0.171 119.940 120.200 -0.148 0.000 2.038 1123 E HA -0.150 4.200 4.350 -0.000 0.000 0.195 1123 E C 2.532 179.046 176.600 -0.143 0.000 1.000 1123 E CA 1.478 57.813 56.400 -0.108 0.000 0.803 1123 E CB -0.312 29.344 29.700 -0.073 0.000 0.750 1123 E HN 0.661 nan 8.360 nan 0.000 0.448 1124 Q N 0.232 119.920 119.800 -0.186 0.000 2.133 1124 Q HA -0.297 4.043 4.340 -0.000 0.000 0.208 1124 Q C 2.050 177.846 176.000 -0.341 0.000 0.991 1124 Q CA 1.882 57.500 55.803 -0.309 0.000 0.867 1124 Q CB -0.236 28.339 28.738 -0.273 0.000 0.911 1124 Q HN 0.305 nan 8.270 nan 0.000 0.417 1125 A N 0.922 123.610 122.820 -0.219 0.000 1.851 1125 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 1125 A C 2.090 179.600 177.584 -0.123 0.000 1.195 1125 A CA 1.679 53.621 52.037 -0.158 0.000 0.622 1125 A CB -1.049 17.889 19.000 -0.103 0.000 0.831 1125 A HN 0.500 nan 8.150 nan 0.000 0.444 1126 L N -0.784 120.393 121.223 -0.076 0.000 2.129 1126 L HA -0.252 4.088 4.340 -0.000 0.000 0.212 1126 L C 2.471 179.322 176.870 -0.030 0.000 1.087 1126 L CA 1.793 56.625 54.840 -0.013 0.000 0.757 1126 L CB -0.499 41.561 42.059 0.002 0.000 0.896 1126 L HN 0.526 nan 8.230 nan 0.000 0.434 1127 E N -0.362 119.780 120.200 -0.098 0.000 2.371 1127 E HA -0.074 4.276 4.350 -0.000 0.000 0.194 1127 E C 2.154 178.707 176.600 -0.079 0.000 1.012 1127 E CA 0.438 56.801 56.400 -0.062 0.000 0.860 1127 E CB 0.151 29.826 29.700 -0.042 0.000 0.811 1127 E HN 0.520 nan 8.360 nan 0.000 0.502 1128 I N 0.539 120.994 120.570 -0.191 0.000 2.617 1128 I HA -0.229 3.941 4.170 -0.000 0.000 0.256 1128 I C 1.970 178.073 176.117 -0.023 0.000 1.167 1128 I CA 0.309 61.537 61.300 -0.120 0.000 1.469 1128 I CB -0.085 37.809 38.000 -0.176 0.000 1.098 1128 I HN 0.262 nan 8.210 nan 0.000 0.436 1129 C N 0.039 119.322 119.300 -0.028 0.000 2.453 1129 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 1129 C C 2.437 177.437 174.990 0.016 0.000 1.262 1129 C CA 0.053 59.063 59.018 -0.014 0.000 1.718 1129 C CB -0.989 26.736 27.740 -0.025 0.000 2.031 1129 C HN 0.480 nan 8.230 nan 0.000 0.480 1130 D N 1.223 121.644 120.400 0.036 0.000 2.191 1130 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 1130 D C 2.196 178.532 176.300 0.060 0.000 1.007 1130 D CA 2.357 56.390 54.000 0.056 0.000 0.865 1130 D CB -0.315 40.532 40.800 0.078 0.000 0.929 1130 D HN 0.572 nan 8.370 nan 0.000 0.447 1131 A N -0.522 122.345 122.820 0.079 0.000 2.081 1131 A HA 0.101 4.421 4.320 -0.000 0.000 0.214 1131 A C 2.274 179.893 177.584 0.058 0.000 1.158 1131 A CA 0.076 52.163 52.037 0.083 0.000 0.724 1131 A CB -0.166 18.916 19.000 0.137 0.000 0.826 1131 A HN 0.208 nan 8.150 nan 0.000 0.463 1132 L N -0.990 120.259 121.223 0.043 0.000 2.492 1132 L HA 0.016 4.356 4.340 -0.000 0.000 0.223 1132 L C 2.743 179.622 176.870 0.015 0.000 1.132 1132 L CA 0.594 55.450 54.840 0.027 0.000 0.850 1132 L CB -0.175 41.894 42.059 0.016 0.000 0.966 1132 L HN 0.426 nan 8.230 nan 0.000 0.454 1133 A N 0.462 123.291 122.820 0.016 0.000 1.855 1133 A HA -0.061 4.259 4.320 -0.000 0.000 0.213 1133 A C 1.723 179.317 177.584 0.017 0.000 1.195 1133 A CA 0.561 52.604 52.037 0.011 0.000 0.610 1133 A CB -0.241 18.768 19.000 0.014 0.000 0.837 1133 A HN 0.300 nan 8.150 nan 0.000 0.444 1134 R N 0.393 120.908 120.500 0.025 0.000 4.739 1134 R HA 0.140 4.480 4.340 -0.000 0.000 0.203 1134 R C 0.844 177.158 176.300 0.023 0.000 2.125 1134 R CA 0.549 56.663 56.100 0.025 0.000 1.743 1134 R CB -0.277 30.041 30.300 0.030 0.000 1.271 1134 R HN 0.483 nan 8.270 nan 0.000 0.746 1135 S N -1.296 114.416 115.700 0.019 0.000 2.931 1135 S HA 0.208 4.678 4.470 -0.000 0.000 0.251 1135 S C 1.480 176.087 174.600 0.011 0.000 1.078 1135 S CA 0.719 58.929 58.200 0.017 0.000 0.835 1135 S CB 0.511 63.723 63.200 0.020 0.000 0.798 1135 S HN 0.549 nan 8.310 nan 0.000 0.495 1136 G N 1.135 109.940 108.800 0.008 0.000 2.336 1136 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.233 1136 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.233 1136 G C 0.803 175.704 174.900 0.001 0.000 1.053 1136 G CA 0.213 45.315 45.100 0.004 0.000 0.625 1136 G HN 1.438 nan 8.290 nan 0.000 0.511 1137 A N 0.089 122.911 122.820 0.004 0.000 2.507 1137 A HA 0.706 5.026 4.320 -0.000 0.000 0.270 1137 A C 0.479 178.065 177.584 0.003 0.000 1.318 1137 A CA 0.724 52.762 52.037 0.003 0.000 0.924 1137 A CB 0.365 19.368 19.000 0.004 0.000 1.061 1137 A HN 0.999 nan 8.150 nan 0.000 0.516 1138 V N 0.920 120.835 119.914 0.003 0.000 2.328 1138 V HA 0.176 4.296 4.120 -0.000 0.000 0.278 1138 V C -0.006 176.084 176.094 -0.007 0.000 1.021 1138 V CA -0.227 62.074 62.300 0.001 0.000 0.838 1138 V CB 1.025 32.851 31.823 0.005 0.000 0.999 1138 V HN 0.568 nan 8.190 nan 0.000 0.447 1139 D N 2.968 123.363 120.400 -0.010 0.000 2.197 1139 D HA 0.064 4.704 4.640 -0.000 0.000 0.212 1139 D C 0.502 176.788 176.300 -0.024 0.000 0.963 1139 D CA 0.812 54.802 54.000 -0.016 0.000 0.864 1139 D CB 0.395 41.186 40.800 -0.016 0.000 1.009 1139 D HN 0.522 nan 8.370 nan 0.000 0.479 1140 V N -0.842 119.058 119.914 -0.023 0.000 2.638 1140 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 1140 V C -0.844 175.232 176.094 -0.031 0.000 1.052 1140 V CA -0.979 61.300 62.300 -0.033 0.000 0.885 1140 V CB 2.216 34.019 31.823 -0.033 0.000 0.999 1140 V HN -0.044 nan 8.190 nan 0.000 0.424 1141 I N 4.467 125.000 120.570 -0.061 0.000 2.359 1141 I HA 0.538 4.708 4.170 -0.000 0.000 0.294 1141 I C -0.742 175.312 176.117 -0.104 0.000 0.987 1141 I CA -0.820 60.434 61.300 -0.077 0.000 1.225 1141 I CB 2.093 40.022 38.000 -0.119 0.000 1.366 1141 I HN 0.488 nan 8.210 nan 0.000 0.466 1142 V N 7.612 127.492 119.914 -0.058 0.000 2.444 1142 V HA 0.334 4.454 4.120 -0.000 0.000 0.294 1142 V C -0.231 175.757 176.094 -0.177 0.000 1.022 1142 V CA -0.573 61.691 62.300 -0.059 0.000 0.850 1142 V CB 2.143 34.033 31.823 0.112 0.000 0.992 1142 V HN 0.379 nan 8.190 nan 0.000 0.426 1143 V N 3.756 123.559 119.914 -0.185 0.000 2.384 1143 V HA 0.524 4.644 4.120 -0.000 0.000 0.287 1143 V C -0.540 175.504 176.094 -0.084 0.000 1.020 1143 V CA -0.488 61.722 62.300 -0.151 0.000 0.850 1143 V CB 1.757 33.574 31.823 -0.011 0.000 0.987 1143 V HN 0.798 nan 8.190 nan 0.000 0.436 1144 D N 3.570 123.844 120.400 -0.210 0.000 2.408 1144 D HA 0.577 5.217 4.640 -0.000 0.000 0.261 1144 D C -0.530 175.708 176.300 -0.104 0.000 1.190 1144 D CA 0.217 54.127 54.000 -0.150 0.000 0.910 1144 D CB 1.489 42.134 40.800 -0.259 0.000 1.097 1144 D HN 0.783 nan 8.370 nan 0.000 0.522 1145 S N 0.089 115.771 115.700 -0.030 0.000 2.552 1145 S HA 0.264 4.734 4.470 -0.000 0.000 0.272 1145 S C 1.029 175.638 174.600 0.015 0.000 1.150 1145 S CA -0.563 57.650 58.200 0.022 0.000 0.849 1145 S CB 1.146 64.364 63.200 0.030 0.000 1.113 1145 S HN -0.047 nan 8.310 nan 0.000 0.458 1146 V N 1.741 121.661 119.914 0.011 0.000 2.308 1146 V HA -0.431 3.689 4.120 -0.000 0.000 0.251 1146 V C 3.059 179.120 176.094 -0.055 0.000 1.055 1146 V CA 3.368 65.622 62.300 -0.077 0.000 1.105 1146 V CB -1.877 29.881 31.823 -0.109 0.000 0.785 1146 V HN 1.331 nan 8.190 nan 0.000 0.479 1147 A N -0.524 122.275 122.820 -0.034 0.000 1.986 1147 A HA -0.073 4.247 4.320 -0.000 0.000 0.220 1147 A C 2.193 179.776 177.584 -0.001 0.000 1.171 1147 A CA 2.567 54.590 52.037 -0.024 0.000 0.640 1147 A CB -0.735 18.254 19.000 -0.019 0.000 0.811 1147 A HN 0.984 nan 8.150 nan 0.000 0.451 1148 A N -1.247 121.579 122.820 0.011 0.000 2.208 1148 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 1148 A C 0.858 178.497 177.584 0.093 0.000 1.161 1148 A CA 0.230 52.295 52.037 0.047 0.000 0.782 1148 A CB -0.137 18.873 19.000 0.018 0.000 0.816 1148 A HN 0.290 nan 8.150 nan 0.000 0.477 1149 L N 2.732 123.970 121.223 0.025 0.000 2.650 1149 L HA 0.091 4.431 4.340 -0.000 0.000 0.239 1149 L C 0.404 177.241 176.870 -0.055 0.000 1.412 1149 L CA 0.579 55.408 54.840 -0.017 0.000 1.219 1149 L CB -1.843 40.188 42.059 -0.046 0.000 1.534 1149 L HN 0.341 nan 8.230 nan 0.000 0.430 1150 T N -0.294 114.256 114.554 -0.008 0.000 2.769 1150 T HA 0.316 4.666 4.350 -0.000 0.000 0.293 1150 T C -2.161 172.423 174.700 -0.194 0.000 0.931 1150 T CA -1.489 60.589 62.100 -0.038 0.000 1.139 1150 T CB 0.517 69.453 68.868 0.114 0.000 0.881 1150 T HN 0.125 nan 8.240 nan 0.000 0.532 1151 P HA 0.203 nan 4.420 nan 0.000 0.272 1151 P C 0.936 178.131 177.300 -0.176 0.000 1.254 1151 P CA -0.625 62.380 63.100 -0.159 0.000 0.795 1151 P CB 0.698 32.340 31.700 -0.097 0.000 1.022 1152 K N 0.741 121.054 120.400 -0.144 0.000 1.985 1152 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 1152 K C 2.112 178.664 176.600 -0.080 0.000 1.047 1152 K CA 2.204 58.418 56.287 -0.121 0.000 0.932 1152 K CB -1.153 31.306 32.500 -0.070 0.000 0.716 1152 K HN 0.418 nan 8.250 nan 0.000 0.439 1153 A N 1.213 124.001 122.820 -0.054 0.000 1.958 1153 A HA -0.301 4.019 4.320 -0.000 0.000 0.221 1153 A C 1.952 179.520 177.584 -0.027 0.000 1.178 1153 A CA 2.060 54.079 52.037 -0.030 0.000 0.642 1153 A CB -0.540 18.445 19.000 -0.024 0.000 0.816 1153 A HN 0.397 nan 8.150 nan 0.000 0.453 1154 E N -0.611 119.566 120.200 -0.039 0.000 2.046 1154 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 1154 E C 1.863 178.450 176.600 -0.022 0.000 0.982 1154 E CA 1.008 57.393 56.400 -0.025 0.000 0.800 1154 E CB -0.261 29.427 29.700 -0.020 0.000 0.756 1154 E HN 0.711 nan 8.360 nan 0.000 0.449 1155 I N 1.034 121.567 120.570 -0.061 0.000 2.530 1155 I HA -0.219 3.951 4.170 -0.000 0.000 0.257 1155 I C 0.688 176.792 176.117 -0.022 0.000 1.179 1155 I CA 0.889 62.142 61.300 -0.078 0.000 1.440 1155 I CB -0.091 37.769 38.000 -0.234 0.000 1.087 1155 I HN 0.042 nan 8.210 nan 0.000 0.440 1166 L N 0.456 121.666 121.223 -0.021 0.000 2.641 1166 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 1166 L C 2.377 179.236 176.870 -0.017 0.000 1.049 1166 L CA 0.725 55.557 54.840 -0.013 0.000 0.866 1166 L CB 0.271 42.329 42.059 -0.002 0.000 1.264 1166 L HN 0.388 nan 8.230 nan 0.000 0.483 1167 A N 0.602 123.407 122.820 -0.025 0.000 2.081 1167 A HA 0.164 4.484 4.320 -0.000 0.000 0.213 1167 A C 1.811 179.368 177.584 -0.046 0.000 1.374 1167 A CA 0.840 52.857 52.037 -0.034 0.000 1.203 1167 A CB -0.795 18.182 19.000 -0.039 0.000 0.786 1167 A HN 0.371 nan 8.150 nan 0.000 0.535 1168 A N -0.221 122.573 122.820 -0.043 0.000 2.168 1168 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 1168 A C 2.074 179.625 177.584 -0.055 0.000 1.152 1168 A CA 0.898 52.901 52.037 -0.056 0.000 0.716 1168 A CB -0.283 18.687 19.000 -0.049 0.000 0.794 1168 A HN 0.607 nan 8.150 nan 0.000 0.465 1169 R N -0.915 119.560 120.500 -0.041 0.000 2.148 1169 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 1169 R C 2.185 178.455 176.300 -0.049 0.000 1.088 1169 R CA 1.203 57.280 56.100 -0.039 0.000 0.985 1169 R CB -0.341 29.945 30.300 -0.023 0.000 0.880 1169 R HN 0.677 nan 8.270 nan 0.000 0.451 1170 M N -0.016 119.552 119.600 -0.053 0.000 2.202 1170 M HA -0.231 4.249 4.480 -0.000 0.000 0.262 1170 M C 1.640 177.898 176.300 -0.069 0.000 1.063 1170 M CA 1.621 56.887 55.300 -0.058 0.000 1.097 1170 M CB 0.018 32.579 32.600 -0.065 0.000 1.382 1170 M HN 0.186 nan 8.290 nan 0.000 0.413 1171 M N 0.086 119.632 119.600 -0.089 0.000 2.062 1171 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 1171 M C 2.228 178.465 176.300 -0.105 0.000 1.076 1171 M CA 1.787 57.017 55.300 -0.117 0.000 1.122 1171 M CB -1.137 31.369 32.600 -0.157 0.000 1.312 1171 M HN 0.316 nan 8.290 nan 0.000 0.412 1172 S N 0.434 116.072 115.700 -0.103 0.000 2.407 1172 S HA -0.242 4.228 4.470 -0.000 0.000 0.235 1172 S C 1.578 176.113 174.600 -0.110 0.000 1.036 1172 S CA 1.518 59.645 58.200 -0.122 0.000 1.013 1172 S CB -0.442 62.703 63.200 -0.091 0.000 0.820 1172 S HN 0.412 nan 8.310 nan 0.000 0.476 1173 Q N 1.603 121.360 119.800 -0.070 0.000 1.579 1173 Q HA 0.059 4.399 4.340 -0.000 0.000 0.490 1173 Q C 1.943 177.926 176.000 -0.029 0.000 0.970 1173 Q CA 1.547 57.324 55.803 -0.044 0.000 0.898 1173 Q CB -0.593 28.126 28.738 -0.031 0.000 0.936 1173 Q HN 0.441 nan 8.270 nan 0.000 0.385 1174 A N -0.230 122.584 122.820 -0.009 0.000 2.263 1174 A HA -0.049 4.271 4.320 -0.000 0.000 0.205 1174 A C 1.568 179.178 177.584 0.043 0.000 1.226 1174 A CA 0.817 52.867 52.037 0.021 0.000 0.810 1174 A CB -0.704 18.313 19.000 0.028 0.000 0.784 1174 A HN 0.607 nan 8.150 nan 0.000 0.486 1175 M N -0.310 119.295 119.600 0.009 0.000 2.073 1175 M HA -0.007 4.473 4.480 -0.000 0.000 0.259 1175 M C 2.053 178.421 176.300 0.112 0.000 1.079 1175 M CA 1.520 56.839 55.300 0.032 0.000 1.131 1175 M CB -0.473 32.057 32.600 -0.116 0.000 1.316 1175 M HN 0.362 nan 8.290 nan 0.000 0.415 1176 R N 0.618 121.135 120.500 0.028 0.000 2.189 1176 R HA -0.265 4.075 4.340 -0.000 0.000 0.252 1176 R C 2.097 178.544 176.300 0.245 0.000 1.134 1176 R CA 2.564 58.799 56.100 0.226 0.000 0.954 1176 R CB -0.750 29.609 30.300 0.098 0.000 0.890 1176 R HN 0.497 nan 8.270 nan 0.000 0.443 1177 K N 0.006 120.490 120.400 0.139 0.000 2.103 1177 K HA -0.017 4.303 4.320 -0.000 0.000 0.204 1177 K C 2.219 178.884 176.600 0.109 0.000 1.052 1177 K CA 0.767 57.119 56.287 0.108 0.000 0.945 1177 K CB -0.134 32.412 32.500 0.077 0.000 0.722 1177 K HN 0.153 nan 8.250 nan 0.000 0.443 1178 L N 0.672 121.971 121.223 0.126 0.000 2.127 1178 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 1178 L C 2.436 179.370 176.870 0.105 0.000 1.089 1178 L CA 0.891 55.798 54.840 0.111 0.000 0.757 1178 L CB -0.528 41.611 42.059 0.133 0.000 0.899 1178 L HN 0.252 nan 8.230 nan 0.000 0.434 1179 A N 0.260 123.168 122.820 0.148 0.000 1.869 1179 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 1179 A C 2.319 179.925 177.584 0.037 0.000 1.203 1179 A CA 2.261 54.349 52.037 0.085 0.000 0.638 1179 A CB -1.435 17.593 19.000 0.047 0.000 0.831 1179 A HN 0.471 nan 8.150 nan 0.000 0.450 1180 G N -0.597 108.229 108.800 0.044 0.000 2.464 1180 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.214 1180 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.214 1180 G C 1.327 176.242 174.900 0.025 0.000 1.218 1180 G CA 1.041 46.157 45.100 0.027 0.000 0.794 1180 G HN 0.674 nan 8.290 nan 0.000 0.542 1181 N N 0.187 118.908 118.700 0.034 0.000 2.242 1181 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 1181 N C 2.044 177.564 175.510 0.018 0.000 1.005 1181 N CA 0.982 54.049 53.050 0.028 0.000 0.877 1181 N CB -0.157 38.352 38.487 0.037 0.000 0.983 1181 N HN 0.325 nan 8.380 nan 0.000 0.439 1182 L N -0.238 120.994 121.223 0.014 0.000 2.253 1182 L HA 0.046 4.386 4.340 -0.000 0.000 0.205 1182 L C 2.258 179.125 176.870 -0.004 0.000 1.078 1182 L CA 0.583 55.423 54.840 0.001 0.000 0.805 1182 L CB -0.124 41.932 42.059 -0.004 0.000 0.963 1182 L HN 0.020 nan 8.230 nan 0.000 0.459 1183 K N 0.557 120.956 120.400 -0.002 0.000 2.097 1183 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 1183 K C 1.367 177.964 176.600 -0.004 0.000 1.050 1183 K CA 1.230 57.513 56.287 -0.006 0.000 0.938 1183 K CB 0.159 32.654 32.500 -0.008 0.000 0.718 1183 K HN 0.204 nan 8.250 nan 0.000 0.442 1184 Q N -0.482 119.319 119.800 0.000 0.000 2.244 1184 Q HA 0.151 4.491 4.340 -0.000 0.000 0.239 1184 Q C -0.014 175.987 176.000 0.002 0.000 0.890 1184 Q CA -0.105 55.699 55.803 0.001 0.000 0.964 1184 Q CB 0.963 29.704 28.738 0.004 0.000 1.076 1184 Q HN 0.137 nan 8.270 nan 0.000 0.447 1185 S N -0.851 114.848 115.700 -0.001 0.000 2.692 1185 S HA 0.064 4.534 4.470 -0.000 0.000 0.269 1185 S C 0.087 174.683 174.600 -0.006 0.000 1.080 1185 S CA -0.450 57.749 58.200 -0.002 0.000 1.058 1185 S CB 0.464 63.664 63.200 -0.000 0.000 0.982 1185 S HN 0.378 nan 8.310 nan 0.000 0.534 1186 N N 2.281 120.976 118.700 -0.009 0.000 2.725 1186 N HA -0.117 4.623 4.740 -0.000 0.000 0.251 1186 N C -1.221 174.279 175.510 -0.017 0.000 1.031 1186 N CA 0.838 53.880 53.050 -0.014 0.000 0.720 1186 N CB -1.394 37.086 38.487 -0.013 0.000 0.930 1186 N HN 0.338 nan 8.380 nan 0.000 0.543 1187 T N 0.973 115.516 114.554 -0.018 0.000 2.733 1187 T HA 0.411 4.761 4.350 -0.000 0.000 0.294 1187 T C 0.288 174.966 174.700 -0.037 0.000 0.956 1187 T CA -0.589 61.496 62.100 -0.025 0.000 0.987 1187 T CB 1.063 69.918 68.868 -0.021 0.000 0.920 1187 T HN 0.255 nan 8.240 nan 0.000 0.470 1188 L N 5.856 127.052 121.223 -0.044 0.000 2.281 1188 L HA 0.677 5.017 4.340 -0.000 0.000 0.285 1188 L C -0.817 176.001 176.870 -0.087 0.000 1.074 1188 L CA -0.364 54.441 54.840 -0.058 0.000 0.817 1188 L CB 0.408 42.436 42.059 -0.051 0.000 1.168 1188 L HN 0.630 nan 8.230 nan 0.000 0.434 1189 L N 6.037 127.189 121.223 -0.120 0.000 2.346 1189 L HA 0.685 5.025 4.340 -0.000 0.000 0.274 1189 L C -1.243 175.477 176.870 -0.250 0.000 1.007 1189 L CA -0.445 54.269 54.840 -0.210 0.000 0.818 1189 L CB 1.574 43.471 42.059 -0.270 0.000 1.284 1189 L HN 0.699 nan 8.230 nan 0.000 0.424 1190 I N 4.129 124.518 120.570 -0.302 0.000 2.447 1190 I HA 0.369 4.539 4.170 -0.000 0.000 0.287 1190 I C -1.195 174.761 176.117 -0.269 0.000 1.023 1190 I CA -0.289 60.884 61.300 -0.212 0.000 1.083 1190 I CB 1.758 39.702 38.000 -0.094 0.000 1.245 1190 I HN 0.432 nan 8.210 nan 0.000 0.434 1191 F N 6.511 126.451 119.950 -0.017 0.000 2.450 1191 F HA 0.584 5.111 4.527 -0.000 0.000 0.332 1191 F C 0.174 175.971 175.800 -0.006 0.000 1.093 1191 F CA -0.806 57.184 58.000 -0.017 0.000 1.003 1191 F CB 1.445 40.440 39.000 -0.008 0.000 1.151 1191 F HN 0.098 nan 8.300 nan 0.000 0.474 1192 I N 2.694 123.402 120.570 0.229 0.000 2.433 1192 I HA 0.431 4.601 4.170 -0.000 0.000 0.292 1192 I C -0.452 175.730 176.117 0.108 0.000 1.001 1192 I CA -0.716 60.664 61.300 0.135 0.000 1.119 1192 I CB 1.800 39.856 38.000 0.094 0.000 1.289 1192 I HN 0.481 nan 8.210 nan 0.000 0.438 1193 N N 3.891 122.657 118.700 0.110 0.000 3.091 1193 N HA 0.565 5.305 4.740 -0.000 0.000 0.329 1193 N C -1.314 174.230 175.510 0.057 0.000 1.430 1193 N CA -0.476 52.614 53.050 0.066 0.000 0.755 1193 N CB 1.811 40.336 38.487 0.063 0.000 1.626 1193 N HN 0.629 nan 8.380 nan 0.000 0.614 1212 G N -0.472 108.269 108.800 -0.098 0.000 2.420 1212 G HA2 0.440 4.400 3.960 -0.000 0.000 0.331 1212 G HA3 0.440 4.400 3.960 -0.000 0.000 0.331 1212 G C 0.427 175.298 174.900 -0.049 0.000 1.168 1212 G CA 0.075 45.129 45.100 -0.076 0.000 0.936 1212 G HN 0.426 nan 8.290 nan 0.000 0.479 1213 N N 0.994 119.689 118.700 -0.009 0.000 2.192 1213 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 1213 N C 2.417 177.999 175.510 0.119 0.000 1.013 1213 N CA 1.625 54.709 53.050 0.057 0.000 0.863 1213 N CB -0.086 38.452 38.487 0.086 0.000 0.990 1213 N HN 0.567 nan 8.380 nan 0.000 0.430 1214 A N 0.993 123.844 122.820 0.053 0.000 1.835 1214 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 1214 A C 2.172 179.822 177.584 0.110 0.000 1.199 1214 A CA 1.435 53.503 52.037 0.051 0.000 0.615 1214 A CB -1.198 17.735 19.000 -0.111 0.000 0.838 1214 A HN 0.322 nan 8.150 nan 0.000 0.444 1215 L N 0.409 121.638 121.223 0.010 0.000 2.123 1215 L HA -0.276 4.064 4.340 -0.000 0.000 0.217 1215 L C 2.234 179.140 176.870 0.060 0.000 1.081 1215 L CA 2.755 57.617 54.840 0.037 0.000 0.772 1215 L CB -0.776 41.226 42.059 -0.095 0.000 0.890 1215 L HN 0.553 nan 8.230 nan 0.000 0.437 1216 K N -2.065 118.317 120.400 -0.031 0.000 2.366 1216 K HA -0.235 4.085 4.320 -0.000 0.000 0.202 1216 K C 1.371 177.724 176.600 -0.411 0.000 1.045 1216 K CA 1.987 58.123 56.287 -0.252 0.000 0.934 1216 K CB -0.121 32.129 32.500 -0.417 0.000 0.746 1216 K HN 0.459 nan 8.250 nan 0.000 0.470 1217 F N -2.812 117.250 119.950 0.187 0.000 2.581 1217 F HA 0.120 4.647 4.527 -0.000 0.000 0.278 1217 F C 1.368 177.323 175.800 0.259 0.000 1.000 1217 F CA -0.353 57.785 58.000 0.229 0.000 1.230 1217 F CB -0.110 39.038 39.000 0.246 0.000 1.008 1217 F HN -0.120 nan 8.300 nan 0.000 0.695 1218 Y N 1.178 121.619 120.300 0.236 0.000 2.616 1218 Y HA 0.216 4.766 4.550 -0.000 0.000 0.296 1218 Y C 1.405 177.371 175.900 0.110 0.000 1.154 1218 Y CA -0.192 58.000 58.100 0.154 0.000 1.325 1218 Y CB -0.233 38.311 38.460 0.139 0.000 1.007 1218 Y HN -0.051 nan 8.280 nan 0.000 0.542 1219 A N -0.147 122.795 122.820 0.203 0.000 2.450 1219 A HA 0.148 4.468 4.320 -0.000 0.000 0.255 1219 A C 1.138 178.739 177.584 0.029 0.000 1.096 1219 A CA 0.118 52.213 52.037 0.097 0.000 0.778 1219 A CB 0.331 19.355 19.000 0.039 0.000 1.031 1219 A HN 0.339 nan 8.150 nan 0.000 0.494 1220 S N 1.017 116.719 115.700 0.004 0.000 2.425 1220 S HA 0.118 4.588 4.470 -0.000 0.000 0.225 1220 S C 0.605 175.170 174.600 -0.058 0.000 1.024 1220 S CA 0.787 58.973 58.200 -0.024 0.000 0.951 1220 S CB 0.021 63.206 63.200 -0.025 0.000 0.796 1220 S HN 0.669 nan 8.310 nan 0.000 0.498 1221 V N 1.379 121.250 119.914 -0.073 0.000 2.888 1221 V HA 0.540 4.660 4.120 -0.000 0.000 0.309 1221 V C -1.515 174.493 176.094 -0.144 0.000 1.114 1221 V CA -0.876 61.353 62.300 -0.117 0.000 0.940 1221 V CB 2.204 33.966 31.823 -0.101 0.000 1.021 1221 V HN 0.134 nan 8.190 nan 0.000 0.426 1222 R N 4.303 124.674 120.500 -0.215 0.000 2.574 1222 R HA 0.611 4.951 4.340 -0.000 0.000 0.288 1222 R C -2.023 174.077 176.300 -0.333 0.000 1.004 1222 R CA -0.814 55.123 56.100 -0.272 0.000 0.895 1222 R CB 2.094 32.195 30.300 -0.333 0.000 1.191 1222 R HN 0.414 nan 8.270 nan 0.000 0.444 1223 L N 2.207 123.200 121.223 -0.384 0.000 2.341 1223 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 1223 L C -0.359 176.106 176.870 -0.676 0.000 1.005 1223 L CA -0.372 54.239 54.840 -0.382 0.000 0.818 1223 L CB 1.551 43.485 42.059 -0.208 0.000 1.259 1223 L HN 0.441 nan 8.230 nan 0.000 0.418 1224 D N 4.195 124.301 120.400 -0.491 0.000 2.477 1224 D HA 0.227 4.867 4.640 -0.000 0.000 0.239 1224 D C -0.540 175.734 176.300 -0.045 0.000 1.102 1224 D CA -0.258 53.561 54.000 -0.301 0.000 0.901 1224 D CB 0.572 41.349 40.800 -0.037 0.000 1.026 1224 D HN 0.429 nan 8.370 nan 0.000 0.515 1225 I N 3.084 123.652 120.570 -0.003 0.000 2.428 1225 I HA 0.349 4.519 4.170 -0.000 0.000 0.289 1225 I C 0.088 176.233 176.117 0.046 0.000 1.019 1225 I CA -0.350 60.963 61.300 0.023 0.000 1.351 1225 I CB 0.421 38.438 38.000 0.027 0.000 1.412 1225 I HN 0.213 nan 8.210 nan 0.000 0.513 1226 R N 5.681 126.187 120.500 0.011 0.000 3.121 1226 R HA 0.626 4.966 4.340 -0.000 0.000 0.242 1226 R C -1.066 175.214 176.300 -0.033 0.000 1.402 1226 R CA -1.147 54.957 56.100 0.007 0.000 1.042 1226 R CB 1.585 31.896 30.300 0.018 0.000 1.410 1226 R HN 0.543 nan 8.270 nan 0.000 0.494 1227 R N 0.895 121.379 120.500 -0.028 0.000 2.548 1227 R HA 0.280 4.620 4.340 -0.000 0.000 0.280 1227 R C -0.074 176.210 176.300 -0.026 0.000 1.061 1227 R CA -0.160 55.915 56.100 -0.042 0.000 0.915 1227 R CB 1.211 31.494 30.300 -0.029 0.000 1.210 1227 R HN 0.721 nan 8.270 nan 0.000 0.442 1228 I N 0.068 120.620 120.570 -0.031 0.000 4.607 1228 I HA 0.502 4.672 4.170 -0.000 0.000 0.324 1228 I C 0.807 176.920 176.117 -0.007 0.000 1.279 1228 I CA 0.263 61.554 61.300 -0.015 0.000 1.286 1228 I CB 1.204 39.195 38.000 -0.014 0.000 1.265 1228 I HN 0.609 nan 8.210 nan 0.000 0.446 1229 G N 1.131 109.925 108.800 -0.009 0.000 2.621 1229 G HA2 0.611 4.571 3.960 -0.000 0.000 0.209 1229 G HA3 0.611 4.571 3.960 -0.000 0.000 0.209 1229 G C 0.457 175.364 174.900 0.012 0.000 1.379 1229 G CA 0.386 45.486 45.100 0.001 0.000 0.766 1229 G HN 0.930 nan 8.290 nan 0.000 0.599 1230 A N -1.636 121.197 122.820 0.021 0.000 2.435 1230 A HA 0.240 4.560 4.320 -0.000 0.000 0.686 1230 A C -0.297 177.298 177.584 0.018 0.000 0.138 1230 A CA 0.113 52.173 52.037 0.039 0.000 0.024 1230 A CB -1.491 17.534 19.000 0.041 0.000 3.974 1230 A HN 1.636 nan 8.150 nan 0.000 0.548 1231 V N 0.677 120.601 119.914 0.017 0.000 3.074 1231 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 1231 V C 0.025 176.105 176.094 -0.023 0.000 1.117 1231 V CA -0.888 61.415 62.300 0.004 0.000 1.014 1231 V CB 2.095 33.933 31.823 0.024 0.000 1.057 1231 V HN 1.061 nan 8.190 nan 0.000 0.438 1232 K N 0.751 121.141 120.400 -0.018 0.000 2.316 1232 K HA 0.572 4.892 4.320 -0.000 0.000 0.251 1232 K C -0.874 175.714 176.600 -0.019 0.000 0.934 1232 K CA -0.618 55.651 56.287 -0.031 0.000 0.802 1232 K CB 2.134 34.618 32.500 -0.027 0.000 1.171 1232 K HN 0.520 nan 8.250 nan 0.000 0.426 1233 E N 2.416 122.600 120.200 -0.026 0.000 2.206 1233 E HA 0.181 4.531 4.350 -0.000 0.000 0.244 1233 E C 0.625 177.214 176.600 -0.017 0.000 1.055 1233 E CA 0.110 56.501 56.400 -0.015 0.000 0.970 1233 E CB 0.673 30.364 29.700 -0.015 0.000 1.256 1233 E HN 0.887 nan 8.360 nan 0.000 0.456 1234 G N 3.382 112.173 108.800 -0.014 0.000 2.950 1234 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.299 1234 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.299 1234 G C 0.846 175.735 174.900 -0.019 0.000 1.310 1234 G CA 0.186 45.277 45.100 -0.015 0.000 0.994 1234 G HN 0.444 nan 8.290 nan 0.000 0.575 1235 E N 1.713 121.899 120.200 -0.023 0.000 2.447 1235 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 1235 E C 1.069 177.647 176.600 -0.038 0.000 0.977 1235 E CA -0.023 56.362 56.400 -0.026 0.000 0.950 1235 E CB -0.012 29.675 29.700 -0.021 0.000 0.975 1235 E HN 0.582 nan 8.360 nan 0.000 0.496 1236 N N 0.245 118.918 118.700 -0.044 0.000 2.416 1236 N HA 0.023 4.763 4.740 -0.000 0.000 0.246 1236 N C -0.631 174.822 175.510 -0.095 0.000 1.260 1236 N CA 0.149 53.159 53.050 -0.067 0.000 0.897 1236 N CB 1.123 39.571 38.487 -0.065 0.000 1.110 1236 N HN -0.229 nan 8.380 nan 0.000 0.439 1237 V N 2.687 122.513 119.914 -0.146 0.000 2.294 1237 V HA 0.133 4.253 4.120 -0.000 0.000 0.272 1237 V C 0.344 176.197 176.094 -0.402 0.000 1.027 1237 V CA -0.184 61.992 62.300 -0.207 0.000 0.823 1237 V CB 1.107 32.826 31.823 -0.174 0.000 1.030 1237 V HN 0.526 nan 8.190 nan 0.000 0.457 1238 V N 4.138 123.859 119.914 -0.322 0.000 3.432 1238 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 1238 V C 0.904 176.880 176.094 -0.197 0.000 1.464 1238 V CA 0.923 62.997 62.300 -0.376 0.000 1.046 1238 V CB 0.514 32.252 31.823 -0.141 0.000 0.887 1238 V HN 0.782 nan 8.190 nan 0.000 0.441 1239 G N -0.809 107.938 108.800 -0.089 0.000 2.685 1239 G HA2 0.616 4.576 3.960 -0.000 0.000 0.298 1239 G HA3 0.616 4.576 3.960 -0.000 0.000 0.298 1239 G C -1.151 173.889 174.900 0.232 0.000 1.277 1239 G CA -0.455 44.729 45.100 0.140 0.000 0.986 1239 G HN 0.112 nan 8.290 nan 0.000 0.487 1240 S N -0.351 115.460 115.700 0.185 0.000 2.737 1240 S HA 0.262 4.732 4.470 -0.000 0.000 0.269 1240 S C -0.911 173.684 174.600 -0.008 0.000 1.150 1240 S CA -0.549 57.714 58.200 0.105 0.000 1.077 1240 S CB 1.586 64.849 63.200 0.105 0.000 1.075 1240 S HN 0.642 nan 8.310 nan 0.000 0.476 1241 E N 2.960 123.143 120.200 -0.028 0.000 2.166 1241 E HA 0.327 4.677 4.350 -0.000 0.000 0.279 1241 E C 0.328 176.837 176.600 -0.152 0.000 1.095 1241 E CA -0.028 56.320 56.400 -0.086 0.000 0.888 1241 E CB 0.392 30.068 29.700 -0.040 0.000 1.041 1241 E HN 0.594 nan 8.360 nan 0.000 0.414 1242 T N 2.012 116.377 114.554 -0.316 0.000 2.952 1242 T HA 0.553 4.903 4.350 -0.000 0.000 0.286 1242 T C -0.210 174.289 174.700 -0.336 0.000 1.024 1242 T CA -1.135 60.748 62.100 -0.361 0.000 1.029 1242 T CB 1.466 70.012 68.868 -0.536 0.000 1.094 1242 T HN 0.421 nan 8.240 nan 0.000 0.515 1243 R N 1.005 121.391 120.500 -0.190 0.000 2.518 1243 R HA 0.552 4.892 4.340 -0.000 0.000 0.296 1243 R C -2.120 174.173 176.300 -0.012 0.000 1.080 1243 R CA -0.598 55.458 56.100 -0.073 0.000 0.922 1243 R CB 1.600 31.884 30.300 -0.027 0.000 1.184 1243 R HN 0.573 nan 8.270 nan 0.000 0.445 1244 V N 5.277 125.226 119.914 0.058 0.000 2.370 1244 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 1244 V C -0.093 176.024 176.094 0.039 0.000 1.029 1244 V CA -0.562 61.777 62.300 0.066 0.000 0.870 1244 V CB 1.595 33.504 31.823 0.144 0.000 0.984 1244 V HN 0.577 nan 8.190 nan 0.000 0.451 1245 K N 3.680 124.081 120.400 0.001 0.000 2.185 1245 K HA 0.516 4.836 4.320 -0.000 0.000 0.269 1245 K C -0.958 175.594 176.600 -0.081 0.000 0.987 1245 K CA -0.520 55.762 56.287 -0.008 0.000 0.865 1245 K CB 2.087 34.603 32.500 0.027 0.000 1.090 1245 K HN 0.406 nan 8.250 nan 0.000 0.450 1246 V N 5.033 124.897 119.914 -0.083 0.000 2.334 1246 V HA 0.048 4.168 4.120 -0.000 0.000 0.267 1246 V C 1.185 177.147 176.094 -0.220 0.000 1.040 1246 V CA -0.253 61.955 62.300 -0.153 0.000 0.866 1246 V CB 0.925 32.675 31.823 -0.121 0.000 1.019 1246 V HN 0.643 nan 8.190 nan 0.000 0.468 1247 V N 2.076 121.821 119.914 -0.280 0.000 3.085 1247 V HA 0.318 4.438 4.120 -0.000 0.000 0.245 1247 V C 0.874 176.656 176.094 -0.519 0.000 1.114 1247 V CA 0.314 62.403 62.300 -0.351 0.000 1.108 1247 V CB -0.184 31.566 31.823 -0.121 0.000 0.798 1247 V HN 0.607 nan 8.190 nan 0.000 0.471 1248 K N 2.187 122.291 120.400 -0.492 0.000 2.316 1248 K HA 0.430 4.750 4.320 -0.000 0.000 0.267 1248 K C -1.119 175.293 176.600 -0.313 0.000 1.025 1248 K CA -0.319 55.649 56.287 -0.533 0.000 0.896 1248 K CB 0.623 32.652 32.500 -0.785 0.000 1.124 1248 K HN 0.358 nan 8.250 nan 0.000 0.451 1249 N N 3.682 122.240 118.700 -0.236 0.000 2.549 1249 N HA 0.171 4.911 4.740 -0.000 0.000 0.281 1249 N C -1.010 174.458 175.510 -0.069 0.000 1.084 1249 N CA -0.429 52.533 53.050 -0.145 0.000 0.862 1249 N CB 1.139 39.540 38.487 -0.144 0.000 1.333 1249 N HN 0.476 nan 8.380 nan 0.000 0.523 1250 K N 3.016 123.388 120.400 -0.048 0.000 2.570 1250 K HA 0.250 4.570 4.320 -0.000 0.000 0.210 1250 K C 0.396 176.987 176.600 -0.015 0.000 1.048 1250 K CA -0.044 56.236 56.287 -0.012 0.000 1.167 1250 K CB 0.590 33.091 32.500 0.001 0.000 0.892 1250 K HN 0.428 nan 8.250 nan 0.000 0.480 1251 I N -0.014 120.541 120.570 -0.026 0.000 3.194 1251 I HA 0.067 4.237 4.170 -0.000 0.000 0.271 1251 I C 0.896 177.006 176.117 -0.012 0.000 1.150 1251 I CA 0.452 61.739 61.300 -0.021 0.000 1.440 1251 I CB 0.499 38.479 38.000 -0.033 0.000 1.276 1251 I HN 0.099 nan 8.210 nan 0.000 0.457 1252 A N -0.436 122.376 122.820 -0.014 0.000 5.139 1252 A HA 0.811 5.131 4.320 -0.000 0.000 0.164 1252 A C -0.733 176.856 177.584 0.008 0.000 0.803 1252 A CA 0.054 52.091 52.037 -0.000 0.000 1.038 1252 A CB -0.663 18.335 19.000 -0.004 0.000 2.123 1252 A HN 0.013 nan 8.150 nan 0.000 0.998 1253 A N 1.578 124.408 122.820 0.015 0.000 2.505 1253 A HA 0.546 4.866 4.320 -0.000 0.000 0.271 1253 A C -2.480 175.115 177.584 0.019 0.000 1.112 1253 A CA -0.533 51.528 52.037 0.039 0.000 0.781 1253 A CB -1.008 18.017 19.000 0.042 0.000 1.059 1253 A HN 0.298 nan 8.150 nan 0.000 0.508 1254 P HA 0.530 nan 4.420 nan 0.000 0.278 1254 P C -0.003 177.312 177.300 0.024 0.000 1.258 1254 P CA -0.409 62.609 63.100 -0.137 0.000 0.811 1254 P CB 0.095 31.632 31.700 -0.271 0.000 1.063 1255 F N -3.105 116.859 119.950 0.024 0.000 2.794 1255 F HA -0.236 4.291 4.527 -0.000 0.000 0.335 1255 F C 0.669 176.476 175.800 0.011 0.000 0.653 1255 F CA 0.732 58.746 58.000 0.023 0.000 1.266 1255 F CB -1.981 37.034 39.000 0.026 0.000 1.666 1255 F HN 0.238 nan 8.300 nan 0.000 0.314 1256 K N 1.658 122.125 120.400 0.112 0.000 2.202 1256 K HA 0.426 4.746 4.320 -0.000 0.000 0.264 1256 K C 0.472 177.103 176.600 0.052 0.000 1.010 1256 K CA -0.129 56.203 56.287 0.074 0.000 0.940 1256 K CB 0.956 33.480 32.500 0.040 0.000 0.983 1256 K HN 0.476 nan 8.250 nan 0.000 0.475 1257 Q N -0.209 119.623 119.800 0.054 0.000 2.528 1257 Q HA 0.756 5.096 4.340 -0.000 0.000 0.289 1257 Q C -1.736 174.299 176.000 0.059 0.000 1.091 1257 Q CA -1.297 54.538 55.803 0.053 0.000 0.797 1257 Q CB 2.105 30.882 28.738 0.064 0.000 1.466 1257 Q HN 0.495 nan 8.270 nan 0.000 0.436 1258 A N 1.330 124.201 122.820 0.085 0.000 2.497 1258 A HA 0.428 4.748 4.320 -0.000 0.000 0.280 1258 A C -1.383 176.330 177.584 0.215 0.000 1.065 1258 A CA -0.670 51.443 52.037 0.128 0.000 0.781 1258 A CB 1.221 20.284 19.000 0.106 0.000 1.289 1258 A HN 0.694 nan 8.150 nan 0.000 0.415 1259 E N 1.258 121.564 120.200 0.178 0.000 2.266 1259 E HA 0.733 5.083 4.350 -0.000 0.000 0.277 1259 E C -0.620 176.149 176.600 0.282 0.000 1.018 1259 E CA -0.264 56.222 56.400 0.143 0.000 0.840 1259 E CB 1.530 31.269 29.700 0.066 0.000 1.082 1259 E HN 0.710 nan 8.360 nan 0.000 0.395 1260 F N -1.319 118.636 119.950 0.008 0.000 3.122 1260 F HA 0.357 4.884 4.527 -0.000 0.000 0.325 1260 F C -1.575 174.238 175.800 0.022 0.000 1.162 1260 F CA -1.226 56.780 58.000 0.009 0.000 0.876 1260 F CB 1.069 40.062 39.000 -0.012 0.000 1.429 1260 F HN 0.165 nan 8.300 nan 0.000 0.484 1261 Q N 1.318 121.227 119.800 0.182 0.000 2.309 1261 Q HA 0.704 5.044 4.340 -0.000 0.000 0.264 1261 Q C -1.341 174.750 176.000 0.153 0.000 1.008 1261 Q CA -0.924 54.919 55.803 0.068 0.000 0.853 1261 Q CB 3.102 31.909 28.738 0.116 0.000 1.314 1261 Q HN 0.567 nan 8.270 nan 0.000 0.448 1262 I N 2.811 123.419 120.570 0.062 0.000 2.389 1262 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 1262 I C -1.028 175.192 176.117 0.171 0.000 0.999 1262 I CA -0.833 60.545 61.300 0.130 0.000 1.129 1262 I CB 1.210 39.252 38.000 0.071 0.000 1.288 1262 I HN 0.287 nan 8.210 nan 0.000 0.444 1263 L N 6.954 128.298 121.223 0.202 0.000 2.272 1263 L HA 0.372 4.712 4.340 -0.000 0.000 0.289 1263 L C -0.470 176.590 176.870 0.318 0.000 1.032 1263 L CA -0.210 54.785 54.840 0.257 0.000 0.810 1263 L CB 0.608 42.782 42.059 0.192 0.000 1.205 1263 L HN 0.315 nan 8.230 nan 0.000 0.422 1264 Y N 3.334 123.700 120.300 0.111 0.000 2.944 1264 Y HA 0.069 4.619 4.550 -0.000 0.000 0.340 1264 Y C 1.647 177.650 175.900 0.172 0.000 1.275 1264 Y CA 0.979 59.152 58.100 0.122 0.000 1.590 1264 Y CB 0.268 38.764 38.460 0.060 0.000 1.218 1264 Y HN 0.884 nan 8.280 nan 0.000 0.576 1265 G N 2.692 111.741 108.800 0.415 0.000 2.203 1265 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.263 1265 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.263 1265 G C 0.483 175.498 174.900 0.191 0.000 1.012 1265 G CA 0.823 46.127 45.100 0.340 0.000 0.749 1265 G HN 0.775 nan 8.290 nan 0.000 0.512 1266 E N -2.270 118.031 120.200 0.168 0.000 2.583 1266 E HA 0.436 4.786 4.350 -0.000 0.000 0.204 1266 E C 1.374 177.981 176.600 0.012 0.000 0.860 1266 E CA 0.936 57.379 56.400 0.073 0.000 1.473 1266 E CB 0.585 30.347 29.700 0.104 0.000 1.469 1266 E HN 1.546 nan 8.360 nan 0.000 0.788 1267 G N 0.971 109.808 108.800 0.062 0.000 2.341 1267 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.196 1267 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.196 1267 G C -0.762 174.200 174.900 0.104 0.000 1.231 1267 G CA -0.376 44.739 45.100 0.024 0.000 1.155 1267 G HN 0.096 nan 8.290 nan 0.000 0.529 1268 I N 1.293 121.912 120.570 0.081 0.000 2.581 1268 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 1268 I C 0.258 176.437 176.117 0.104 0.000 1.047 1268 I CA -0.584 60.794 61.300 0.130 0.000 1.374 1268 I CB 1.254 39.273 38.000 0.032 0.000 1.423 1268 I HN 0.393 nan 8.210 nan 0.000 0.549 1269 N N 4.812 123.608 118.700 0.161 0.000 2.895 1269 N HA 0.019 4.759 4.740 -0.000 0.000 0.277 1269 N C 0.675 176.243 175.510 0.096 0.000 1.185 1269 N CA 0.069 53.207 53.050 0.147 0.000 1.106 1269 N CB -0.205 38.392 38.487 0.182 0.000 1.422 1269 N HN 0.450 nan 8.380 nan 0.000 0.521 1270 F N 2.203 122.047 119.950 -0.176 0.000 2.043 1270 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 1270 F C 1.073 176.698 175.800 -0.290 0.000 1.118 1270 F CA 1.894 59.682 58.000 -0.352 0.000 1.202 1270 F CB -0.345 38.252 39.000 -0.671 0.000 0.965 1270 F HN 0.454 nan 8.300 nan 0.000 0.482 1271 Y N -0.079 120.398 120.300 0.295 0.000 2.314 1271 Y HA 0.056 4.606 4.550 -0.000 0.000 0.293 1271 Y C 2.631 178.592 175.900 0.103 0.000 1.129 1271 Y CA 0.638 58.828 58.100 0.151 0.000 1.201 1271 Y CB -1.441 37.046 38.460 0.045 0.000 0.999 1271 Y HN 0.100 nan 8.280 nan 0.000 0.541 1272 G N 1.040 109.978 108.800 0.231 0.000 2.739 1272 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.216 1272 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.216 1272 G C 1.474 176.442 174.900 0.113 0.000 1.298 1272 G CA 1.521 46.713 45.100 0.152 0.000 0.804 1272 G HN 0.577 nan 8.290 nan 0.000 0.623 1273 E N 0.187 120.447 120.200 0.100 0.000 2.219 1273 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 1273 E C 2.373 179.005 176.600 0.053 0.000 0.998 1273 E CA 1.119 57.556 56.400 0.063 0.000 0.818 1273 E CB -0.346 29.355 29.700 0.002 0.000 0.741 1273 E HN 0.340 nan 8.360 nan 0.000 0.477 1274 L N 1.478 122.757 121.223 0.094 0.000 2.017 1274 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 1274 L C 2.349 179.266 176.870 0.077 0.000 1.073 1274 L CA 1.347 56.257 54.840 0.118 0.000 0.745 1274 L CB -0.609 41.589 42.059 0.232 0.000 0.894 1274 L HN 0.086 nan 8.230 nan 0.000 0.432 1275 V N 0.133 120.079 119.914 0.053 0.000 2.220 1275 V HA -0.387 3.733 4.120 -0.000 0.000 0.250 1275 V C 2.313 178.386 176.094 -0.035 0.000 1.056 1275 V CA 2.222 64.494 62.300 -0.046 0.000 1.016 1275 V CB -0.923 30.806 31.823 -0.155 0.000 0.639 1275 V HN 0.446 nan 8.190 nan 0.000 0.446 1276 D N -0.420 119.975 120.400 -0.007 0.000 2.239 1276 D HA -0.163 4.477 4.640 -0.000 0.000 0.202 1276 D C 1.796 178.123 176.300 0.045 0.000 0.993 1276 D CA 1.206 55.224 54.000 0.030 0.000 0.874 1276 D CB -0.098 40.733 40.800 0.051 0.000 0.922 1276 D HN 0.271 nan 8.370 nan 0.000 0.464 1277 L N -0.236 121.012 121.223 0.041 0.000 2.168 1277 L HA 0.132 4.472 4.340 -0.000 0.000 0.203 1277 L C 2.509 179.413 176.870 0.057 0.000 1.078 1277 L CA 1.136 56.002 54.840 0.045 0.000 0.780 1277 L CB -1.175 40.905 42.059 0.034 0.000 0.939 1277 L HN -0.013 nan 8.230 nan 0.000 0.451 1278 G N -1.323 107.514 108.800 0.061 0.000 2.708 1278 G HA2 0.025 3.985 3.960 -0.000 0.000 0.210 1278 G HA3 0.025 3.985 3.960 -0.000 0.000 0.210 1278 G C 1.387 176.344 174.900 0.094 0.000 1.141 1278 G CA 0.654 45.803 45.100 0.082 0.000 0.788 1278 G HN 0.223 nan 8.290 nan 0.000 0.531 1279 V N 0.200 120.166 119.914 0.087 0.000 2.283 1279 V HA 0.003 4.123 4.120 -0.000 0.000 0.239 1279 V C 2.602 178.752 176.094 0.094 0.000 1.035 1279 V CA 1.737 64.106 62.300 0.116 0.000 1.018 1279 V CB -0.295 31.605 31.823 0.128 0.000 0.658 1279 V HN 0.292 nan 8.190 nan 0.000 0.459 1280 K N -0.003 120.443 120.400 0.076 0.000 2.155 1280 K HA -0.070 4.250 4.320 -0.000 0.000 0.203 1280 K C 0.416 177.050 176.600 0.057 0.000 1.052 1280 K CA 0.805 57.130 56.287 0.063 0.000 0.948 1280 K CB 0.161 32.693 32.500 0.053 0.000 0.728 1280 K HN 0.368 nan 8.250 nan 0.000 0.448 1281 E N 2.325 122.561 120.200 0.061 0.000 2.136 1281 E HA 0.022 4.372 4.350 -0.000 0.000 0.246 1281 E C -0.847 175.796 176.600 0.071 0.000 1.017 1281 E CA -0.167 56.268 56.400 0.058 0.000 0.883 1281 E CB 0.861 30.593 29.700 0.054 0.000 1.199 1281 E HN 0.104 nan 8.360 nan 0.000 0.447 1282 K N 2.692 123.133 120.400 0.067 0.000 2.210 1282 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 1282 K C 0.657 177.309 176.600 0.087 0.000 0.990 1282 K CA 0.340 56.671 56.287 0.074 0.000 1.322 1282 K CB -0.556 31.977 32.500 0.055 0.000 0.955 1282 K HN 0.386 nan 8.250 nan 0.000 0.258 1283 L N 0.366 121.661 121.223 0.120 0.000 2.425 1283 L HA 0.212 4.552 4.340 -0.000 0.000 0.215 1283 L C 0.757 177.778 176.870 0.252 0.000 1.065 1283 L CA 0.334 55.279 54.840 0.174 0.000 0.842 1283 L CB 0.286 42.465 42.059 0.200 0.000 1.033 1283 L HN 0.324 nan 8.230 nan 0.000 0.474 1284 I N -0.730 119.969 120.570 0.216 0.000 2.406 1284 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 1284 I C -0.518 175.721 176.117 0.204 0.000 0.999 1284 I CA -0.695 60.747 61.300 0.237 0.000 1.124 1284 I CB 1.804 39.915 38.000 0.185 0.000 1.289 1284 I HN -0.169 nan 8.210 nan 0.000 0.441 1285 E N 5.836 126.150 120.200 0.190 0.000 2.130 1285 E HA 0.169 4.519 4.350 -0.000 0.000 0.284 1285 E C -0.603 176.102 176.600 0.175 0.000 1.018 1285 E CA -0.398 56.089 56.400 0.144 0.000 0.817 1285 E CB 0.876 30.622 29.700 0.077 0.000 1.078 1285 E HN 0.317 nan 8.360 nan 0.000 0.396 1286 K N 3.330 123.822 120.400 0.153 0.000 2.262 1286 K HA 0.299 4.619 4.320 -0.000 0.000 0.288 1286 K C -0.698 175.911 176.600 0.015 0.000 1.090 1286 K CA -0.109 56.218 56.287 0.067 0.000 0.918 1286 K CB 0.343 32.897 32.500 0.091 0.000 1.139 1286 K HN 0.537 nan 8.250 nan 0.000 0.462 1287 A N 4.013 126.835 122.820 0.003 0.000 3.258 1287 A HA 0.380 4.700 4.320 -0.000 0.000 0.275 1287 A C 0.967 178.579 177.584 0.048 0.000 1.452 1287 A CA 0.270 52.322 52.037 0.026 0.000 1.120 1287 A CB -0.429 18.582 19.000 0.018 0.000 1.107 1287 A HN 1.063 nan 8.150 nan 0.000 0.651 1288 G N 0.320 109.115 108.800 -0.009 0.000 5.347 1288 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.299 1288 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.299 1288 G C 1.297 176.136 174.900 -0.103 0.000 1.492 1288 G CA 0.616 45.705 45.100 -0.019 0.000 0.991 1288 G HN 1.727 nan 8.290 nan 0.000 0.749 1289 A N -0.807 121.955 122.820 -0.097 0.000 2.382 1289 A HA 0.584 4.904 4.320 -0.000 0.000 0.228 1289 A C 0.449 177.771 177.584 -0.435 0.000 1.217 1289 A CA 0.439 52.318 52.037 -0.264 0.000 0.923 1289 A CB 0.147 19.004 19.000 -0.238 0.000 0.979 1289 A HN 0.554 nan 8.150 nan 0.000 0.515 1290 W N -1.073 120.031 121.300 -0.328 0.000 2.449 1290 W HA 0.589 5.249 4.660 -0.000 0.000 0.331 1290 W C -0.674 175.604 176.519 -0.401 0.000 1.119 1290 W CA -0.083 57.096 57.345 -0.275 0.000 1.240 1290 W CB 0.610 29.983 29.460 -0.146 0.000 1.251 1290 W HN 0.181 nan 8.180 nan 0.000 0.576 1291 Y N 2.177 122.605 120.300 0.212 0.000 2.345 1291 Y HA 0.403 4.953 4.550 -0.000 0.000 0.331 1291 Y C 0.150 176.087 175.900 0.061 0.000 0.959 1291 Y CA -0.724 57.436 58.100 0.099 0.000 1.204 1291 Y CB 1.302 39.779 38.460 0.029 0.000 1.135 1291 Y HN 0.147 nan 8.280 nan 0.000 0.477 1292 S N 2.920 118.745 115.700 0.209 0.000 2.501 1292 S HA 0.331 4.801 4.470 -0.000 0.000 0.301 1292 S C -1.612 173.072 174.600 0.139 0.000 1.096 1292 S CA -0.742 57.518 58.200 0.100 0.000 1.063 1292 S CB 1.250 64.475 63.200 0.042 0.000 1.042 1292 S HN 0.532 nan 8.310 nan 0.000 0.494 1293 Y N 2.956 123.214 120.300 -0.070 0.000 2.555 1293 Y HA 0.361 4.911 4.550 -0.000 0.000 0.326 1293 Y C -0.194 175.699 175.900 -0.012 0.000 0.984 1293 Y CA -0.909 57.171 58.100 -0.033 0.000 1.298 1293 Y CB -0.054 38.374 38.460 -0.053 0.000 1.094 1293 Y HN 0.805 nan 8.280 nan 0.000 0.500 1294 K N 4.747 124.961 120.400 -0.310 0.000 4.361 1294 K HA -0.230 4.090 4.320 -0.000 0.000 0.294 1294 K C 1.038 177.550 176.600 -0.146 0.000 0.970 1294 K CA 0.863 56.980 56.287 -0.282 0.000 0.913 1294 K CB -1.302 30.936 32.500 -0.437 0.000 1.583 1294 K HN 1.242 nan 8.250 nan 0.000 0.438 1295 G N 0.709 109.453 108.800 -0.094 0.000 2.855 1295 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.231 1295 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.231 1295 G C 0.011 174.869 174.900 -0.070 0.000 1.242 1295 G CA 0.735 45.789 45.100 -0.076 0.000 0.789 1295 G HN 0.663 nan 8.290 nan 0.000 0.517 1296 E N 2.097 122.264 120.200 -0.054 0.000 2.290 1296 E HA 0.368 4.718 4.350 -0.000 0.000 0.277 1296 E C -0.191 176.377 176.600 -0.054 0.000 1.035 1296 E CA -0.157 56.220 56.400 -0.038 0.000 0.873 1296 E CB 0.337 30.038 29.700 0.002 0.000 1.029 1296 E HN 0.451 nan 8.360 nan 0.000 0.419 1297 K N 4.453 124.814 120.400 -0.065 0.000 2.258 1297 K HA 0.185 4.505 4.320 -0.000 0.000 0.284 1297 K C 0.879 177.405 176.600 -0.123 0.000 1.051 1297 K CA -0.041 56.221 56.287 -0.041 0.000 0.923 1297 K CB 0.863 33.353 32.500 -0.017 0.000 1.046 1297 K HN 0.584 nan 8.250 nan 0.000 0.474 1298 I N -1.473 118.960 120.570 -0.228 0.000 4.032 1298 I HA 0.366 4.536 4.170 -0.000 0.000 0.313 1298 I C 0.549 176.403 176.117 -0.439 0.000 1.272 1298 I CA -0.146 60.717 61.300 -0.729 0.000 1.307 1298 I CB 1.095 38.356 38.000 -1.230 0.000 1.155 1298 I HN 0.505 nan 8.210 nan 0.000 0.431 1299 G N 1.133 109.899 108.800 -0.056 0.000 2.596 1299 G HA2 0.345 4.305 3.960 -0.000 0.000 0.296 1299 G HA3 0.345 4.305 3.960 -0.000 0.000 0.296 1299 G C -2.152 172.762 174.900 0.024 0.000 1.513 1299 G CA -0.565 44.552 45.100 0.029 0.000 0.851 1299 G HN 0.189 nan 8.290 nan 0.000 0.548 1300 Q N 0.487 120.175 119.800 -0.186 0.000 2.333 1300 Q HA 0.565 4.904 4.340 -0.000 0.000 0.265 1300 Q C 0.328 176.198 176.000 -0.217 0.000 0.989 1300 Q CA 0.313 55.833 55.803 -0.473 0.000 0.842 1300 Q CB 1.399 29.594 28.738 -0.906 0.000 1.262 1300 Q HN 2.211 nan 8.270 nan 0.000 0.451 1301 G N 3.170 111.873 108.800 -0.160 0.000 2.854 1301 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.686 1301 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.686 1301 G C 0.201 175.225 174.900 0.207 0.000 1.202 1301 G CA 0.091 45.190 45.100 -0.002 0.000 0.878 1301 G HN 0.839 nan 8.290 nan 0.000 0.583 1302 K N 1.545 122.139 120.400 0.323 0.000 2.189 1302 K HA -0.199 4.121 4.320 -0.000 0.000 0.207 1302 K C 2.876 179.539 176.600 0.104 0.000 1.046 1302 K CA 2.624 59.053 56.287 0.237 0.000 0.928 1302 K CB -0.342 32.255 32.500 0.162 0.000 0.720 1302 K HN 1.298 nan 8.250 nan 0.000 0.458 1303 A N 1.977 124.849 122.820 0.087 0.000 1.863 1303 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 1303 A C 1.792 179.413 177.584 0.061 0.000 1.233 1303 A CA 2.284 54.356 52.037 0.058 0.000 0.655 1303 A CB -0.887 18.133 19.000 0.033 0.000 0.839 1303 A HN 0.531 nan 8.150 nan 0.000 0.454 1304 N N -0.117 118.621 118.700 0.063 0.000 2.354 1304 N HA 0.022 4.762 4.740 -0.000 0.000 0.179 1304 N C 1.908 177.487 175.510 0.116 0.000 1.021 1304 N CA 1.155 54.252 53.050 0.077 0.000 0.887 1304 N CB -0.461 38.056 38.487 0.050 0.000 0.974 1304 N HN 0.530 nan 8.380 nan 0.000 0.437 1305 A N 1.560 124.438 122.820 0.096 0.000 1.841 1305 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 1305 A C 2.360 179.984 177.584 0.068 0.000 1.199 1305 A CA 2.183 54.247 52.037 0.046 0.000 0.621 1305 A CB -1.359 17.525 19.000 -0.195 0.000 0.835 1305 A HN 0.248 nan 8.150 nan 0.000 0.445 1306 T N 0.732 115.303 114.554 0.028 0.000 2.481 1306 T HA -0.281 4.069 4.350 -0.000 0.000 0.252 1306 T C 1.997 176.730 174.700 0.055 0.000 1.242 1306 T CA 2.658 64.799 62.100 0.067 0.000 1.170 1306 T CB -0.898 68.021 68.868 0.084 0.000 0.860 1306 T HN 0.788 nan 8.240 nan 0.000 0.422 1307 A N -0.646 122.207 122.820 0.054 0.000 2.248 1307 A HA 0.003 4.323 4.320 -0.000 0.000 0.210 1307 A C 1.829 179.413 177.584 -0.002 0.000 1.174 1307 A CA 0.991 53.029 52.037 0.003 0.000 0.750 1307 A CB -1.004 18.009 19.000 0.023 0.000 0.780 1307 A HN 0.737 nan 8.150 nan 0.000 0.478 1308 W N 0.295 121.521 121.300 -0.122 0.000 2.444 1308 W HA -0.049 4.611 4.660 -0.000 0.000 0.308 1308 W C 1.620 178.008 176.519 -0.219 0.000 1.183 1308 W CA 1.560 58.829 57.345 -0.127 0.000 1.340 1308 W CB -0.269 29.148 29.460 -0.072 0.000 1.138 1308 W HN 0.225 nan 8.180 nan 0.000 0.510 1309 L N 1.023 122.179 121.223 -0.111 0.000 2.189 1309 L HA -0.268 4.072 4.340 -0.000 0.000 0.214 1309 L C 2.407 178.766 176.870 -0.852 0.000 1.097 1309 L CA 1.686 56.266 54.840 -0.432 0.000 0.764 1309 L CB -1.085 40.840 42.059 -0.223 0.000 0.900 1309 L HN 0.048 nan 8.230 nan 0.000 0.436 1310 K N 0.105 119.994 120.400 -0.851 0.000 2.152 1310 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 1310 K C 1.280 177.548 176.600 -0.554 0.000 1.048 1310 K CA 1.577 57.348 56.287 -0.860 0.000 0.933 1310 K CB 0.109 32.340 32.500 -0.448 0.000 0.721 1310 K HN 0.303 nan 8.250 nan 0.000 0.447 1311 D N -0.198 119.889 120.400 -0.522 0.000 2.360 1311 D HA 0.008 4.648 4.640 -0.000 0.000 0.210 1311 D C -0.237 175.778 176.300 -0.476 0.000 1.047 1311 D CA 0.441 54.186 54.000 -0.425 0.000 0.854 1311 D CB 0.256 40.842 40.800 -0.357 0.000 0.936 1311 D HN 0.213 nan 8.370 nan 0.000 0.514 1312 N N 1.445 119.763 118.700 -0.636 0.000 2.813 1312 N HA 0.153 4.893 4.740 -0.000 0.000 0.282 1312 N C -2.161 173.102 175.510 -0.410 0.000 1.748 1312 N CA -1.086 51.632 53.050 -0.553 0.000 0.860 1312 N CB 1.970 39.969 38.487 -0.813 0.000 1.204 1312 N HN -0.055 nan 8.380 nan 0.000 0.490 1313 P HA -0.203 nan 4.420 nan 0.000 0.214 1313 P C 1.719 178.929 177.300 -0.150 0.000 1.163 1313 P CA 1.400 64.369 63.100 -0.218 0.000 0.883 1313 P CB 0.289 31.895 31.700 -0.156 0.000 0.788 1314 E N -0.060 120.065 120.200 -0.125 0.000 2.085 1314 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 1314 E C 1.565 178.125 176.600 -0.066 0.000 0.994 1314 E CA 2.131 58.485 56.400 -0.077 0.000 0.801 1314 E CB -2.133 27.534 29.700 -0.055 0.000 0.743 1314 E HN 0.176 nan 8.360 nan 0.000 0.453 1315 T N 1.380 115.874 114.554 -0.100 0.000 2.759 1315 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 1315 T C 1.952 176.593 174.700 -0.099 0.000 1.042 1315 T CA 2.012 64.059 62.100 -0.088 0.000 1.140 1315 T CB -0.359 68.429 68.868 -0.134 0.000 0.864 1315 T HN 0.478 nan 8.240 nan 0.000 0.455 1316 A N 2.136 124.891 122.820 -0.108 0.000 1.826 1316 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 1316 A C 2.160 179.748 177.584 0.006 0.000 1.212 1316 A CA 1.030 53.049 52.037 -0.031 0.000 0.605 1316 A CB -0.430 18.582 19.000 0.020 0.000 0.861 1316 A HN 0.348 nan 8.150 nan 0.000 0.447 1317 K N -0.123 120.263 120.400 -0.022 0.000 2.520 1317 K HA -0.178 4.142 4.320 -0.000 0.000 0.197 1317 K C 1.753 178.364 176.600 0.019 0.000 1.044 1317 K CA 1.258 57.536 56.287 -0.015 0.000 0.938 1317 K CB -0.024 32.441 32.500 -0.057 0.000 0.767 1317 K HN 0.711 nan 8.250 nan 0.000 0.481 1318 E N 1.012 121.224 120.200 0.020 0.000 2.127 1318 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 1318 E C 1.978 178.614 176.600 0.060 0.000 0.964 1318 E CA 0.150 56.574 56.400 0.040 0.000 0.832 1318 E CB 0.149 29.877 29.700 0.046 0.000 0.790 1318 E HN 0.198 nan 8.360 nan 0.000 0.465 1319 I N 1.768 122.372 120.570 0.058 0.000 2.286 1319 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 1319 I C 2.648 178.814 176.117 0.081 0.000 1.115 1319 I CA 1.107 62.453 61.300 0.076 0.000 1.392 1319 I CB -0.327 37.702 38.000 0.049 0.000 1.065 1319 I HN 0.271 nan 8.210 nan 0.000 0.418 1320 E N 1.730 121.984 120.200 0.091 0.000 2.019 1320 E HA -0.371 3.979 4.350 -0.000 0.000 0.208 1320 E C 2.214 178.859 176.600 0.076 0.000 1.030 1320 E CA 2.293 58.762 56.400 0.114 0.000 0.856 1320 E CB -0.175 29.622 29.700 0.161 0.000 0.781 1320 E HN 0.315 nan 8.360 nan 0.000 0.471 1321 K N 0.360 120.800 120.400 0.066 0.000 2.077 1321 K HA -0.239 4.081 4.320 -0.000 0.000 0.213 1321 K C 2.249 178.877 176.600 0.046 0.000 1.051 1321 K CA 1.964 58.280 56.287 0.048 0.000 0.929 1321 K CB -0.051 32.474 32.500 0.042 0.000 0.715 1321 K HN -0.027 nan 8.250 nan 0.000 0.451 1322 K N 0.310 120.743 120.400 0.056 0.000 2.152 1322 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 1322 K C 1.972 178.602 176.600 0.050 0.000 1.048 1322 K CA 1.316 57.638 56.287 0.057 0.000 0.933 1322 K CB -0.049 32.497 32.500 0.077 0.000 0.721 1322 K HN 0.141 nan 8.250 nan 0.000 0.447 1323 V N 0.393 120.337 119.914 0.050 0.000 2.788 1323 V HA -0.058 4.062 4.120 -0.000 0.000 0.251 1323 V C 2.188 178.296 176.094 0.024 0.000 1.068 1323 V CA 0.952 63.275 62.300 0.038 0.000 1.090 1323 V CB -0.385 31.461 31.823 0.038 0.000 0.710 1323 V HN 0.214 nan 8.190 nan 0.000 0.467 1324 R N 0.148 120.661 120.500 0.022 0.000 2.189 1324 R HA -0.099 4.241 4.340 -0.000 0.000 0.223 1324 R C 2.140 178.448 176.300 0.012 0.000 1.092 1324 R CA 1.158 57.264 56.100 0.011 0.000 0.989 1324 R CB -0.059 30.247 30.300 0.011 0.000 0.876 1324 R HN 0.619 nan 8.270 nan 0.000 0.457 1325 E N 0.138 120.350 120.200 0.020 0.000 2.230 1325 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 1325 E C 1.497 178.108 176.600 0.018 0.000 0.987 1325 E CA 0.577 56.989 56.400 0.019 0.000 0.841 1325 E CB 0.248 29.962 29.700 0.023 0.000 0.783 1325 E HN 0.227 nan 8.360 nan 0.000 0.481 1326 L N 0.162 121.398 121.223 0.022 0.000 2.592 1326 L HA 0.118 4.458 4.340 -0.000 0.000 0.227 1326 L C 1.243 178.123 176.870 0.017 0.000 1.127 1326 L CA 0.278 55.131 54.840 0.022 0.000 0.884 1326 L CB 0.570 42.647 42.059 0.029 0.000 1.065 1326 L HN 0.060 nan 8.230 nan 0.000 0.457 1327 L N -0.661 120.569 121.223 0.012 0.000 3.429 1327 L HA 0.298 4.638 4.340 -0.000 0.000 0.311 1327 L C -1.012 175.858 176.870 -0.000 0.000 1.274 1327 L CA -0.023 54.821 54.840 0.006 0.000 1.037 1327 L CB 0.921 42.983 42.059 0.005 0.000 1.433 1327 L HN 0.042 nan 8.230 nan 0.000 0.614 2007 Q N 0.553 120.356 119.800 0.004 0.000 2.444 2007 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 2007 Q C 0.815 176.819 176.000 0.007 0.000 0.948 2007 Q CA 0.517 56.323 55.803 0.006 0.000 0.946 2007 Q CB 0.268 29.009 28.738 0.005 0.000 1.027 2007 Q HN 0.306 nan 8.270 nan 0.000 0.513 2008 K N 0.776 121.180 120.400 0.006 0.000 1.984 2008 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 2008 K C 1.913 178.518 176.600 0.008 0.000 1.046 2008 K CA 1.339 57.629 56.287 0.006 0.000 0.934 2008 K CB -0.038 32.465 32.500 0.005 0.000 0.717 2008 K HN 0.155 nan 8.250 nan 0.000 0.438 2009 A N 0.408 123.233 122.820 0.008 0.000 2.016 2009 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 2009 A C 1.891 179.482 177.584 0.012 0.000 1.162 2009 A CA 0.711 52.753 52.037 0.009 0.000 0.662 2009 A CB -0.245 18.760 19.000 0.008 0.000 0.812 2009 A HN 0.288 nan 8.150 nan 0.000 0.450 2010 L N -0.454 120.777 121.223 0.012 0.000 2.062 2010 L HA 0.165 4.505 4.340 -0.000 0.000 0.202 2010 L C 2.661 179.542 176.870 0.018 0.000 1.079 2010 L CA 1.859 56.709 54.840 0.015 0.000 0.755 2010 L CB -0.680 41.386 42.059 0.013 0.000 0.913 2010 L HN 0.267 nan 8.230 nan 0.000 0.445 2011 A N -0.636 122.193 122.820 0.016 0.000 2.139 2011 A HA -0.147 4.173 4.320 -0.000 0.000 0.221 2011 A C 2.229 179.824 177.584 0.018 0.000 1.159 2011 A CA 1.900 53.947 52.037 0.017 0.000 0.662 2011 A CB -0.950 18.058 19.000 0.014 0.000 0.796 2011 A HN 0.602 nan 8.150 nan 0.000 0.463 2012 A N -0.827 122.003 122.820 0.017 0.000 1.901 2012 A HA 0.485 4.805 4.320 -0.000 0.000 0.210 2012 A C 2.288 179.885 177.584 0.021 0.000 1.208 2012 A CA 1.123 53.170 52.037 0.017 0.000 0.644 2012 A CB -0.757 18.251 19.000 0.013 0.000 0.863 2012 A HN 1.009 nan 8.150 nan 0.000 0.454 2013 A N -0.480 122.354 122.820 0.023 0.000 2.209 2013 A HA 0.249 4.569 4.320 -0.000 0.000 0.212 2013 A C 1.928 179.535 177.584 0.039 0.000 1.158 2013 A CA 0.593 52.647 52.037 0.029 0.000 0.742 2013 A CB -0.471 18.545 19.000 0.028 0.000 0.790 2013 A HN 0.462 nan 8.150 nan 0.000 0.472 2014 L N -0.989 120.255 121.223 0.037 0.000 1.971 2014 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 2014 L C 2.737 179.636 176.870 0.049 0.000 1.083 2014 L CA 1.195 56.062 54.840 0.044 0.000 0.753 2014 L CB -0.954 41.128 42.059 0.038 0.000 0.893 2014 L HN 0.446 nan 8.230 nan 0.000 0.436 2015 G N -1.112 107.712 108.800 0.039 0.000 2.564 2015 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 2015 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 2015 G C 1.404 176.325 174.900 0.034 0.000 1.120 2015 G CA 0.199 45.321 45.100 0.036 0.000 0.752 2015 G HN 0.366 nan 8.290 nan 0.000 0.558 2016 Q N -0.460 119.362 119.800 0.037 0.000 2.297 2016 Q HA 0.008 4.348 4.340 -0.000 0.000 0.204 2016 Q C 2.272 178.299 176.000 0.044 0.000 0.962 2016 Q CA 0.569 56.390 55.803 0.030 0.000 0.879 2016 Q CB 0.068 28.825 28.738 0.032 0.000 0.947 2016 Q HN 0.528 nan 8.270 nan 0.000 0.462 2017 I N -0.858 119.764 120.570 0.086 0.000 3.081 2017 I HA -0.016 4.154 4.170 -0.000 0.000 0.274 2017 I C 1.793 178.001 176.117 0.153 0.000 1.178 2017 I CA 0.507 61.906 61.300 0.164 0.000 1.460 2017 I CB -0.875 37.246 38.000 0.203 0.000 1.137 2017 I HN 0.106 nan 8.210 nan 0.000 0.443 2018 E N 1.507 121.768 120.200 0.101 0.000 2.150 2018 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 2018 E C 2.073 178.706 176.600 0.054 0.000 0.985 2018 E CA 0.899 57.350 56.400 0.085 0.000 0.814 2018 E CB 0.128 29.867 29.700 0.064 0.000 0.752 2018 E HN 0.364 nan 8.360 nan 0.000 0.466 2019 K N 0.664 121.080 120.400 0.026 0.000 2.062 2019 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 2019 K C 2.138 178.711 176.600 -0.045 0.000 1.051 2019 K CA 1.120 57.404 56.287 -0.006 0.000 0.941 2019 K CB 0.133 32.624 32.500 -0.014 0.000 0.719 2019 K HN 0.027 nan 8.250 nan 0.000 0.440 2020 Q N -1.175 118.572 119.800 -0.088 0.000 2.297 2020 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 2020 Q C -0.125 175.652 176.000 -0.371 0.000 0.931 2020 Q CA 0.580 56.215 55.803 -0.280 0.000 0.885 2020 Q CB 0.512 28.999 28.738 -0.418 0.000 0.991 2020 Q HN 0.155 nan 8.270 nan 0.000 0.498 2021 F N 0.419 120.384 119.950 0.024 0.000 2.893 2021 F HA 0.399 4.926 4.527 -0.000 0.000 0.340 2021 F C 0.187 176.008 175.800 0.035 0.000 1.300 2021 F CA 0.056 58.072 58.000 0.028 0.000 1.227 2021 F CB 1.116 40.133 39.000 0.028 0.000 1.044 2021 F HN 0.065 nan 8.300 nan 0.000 0.512 2022 G N 1.382 110.285 108.800 0.171 0.000 2.977 2022 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.686 2022 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.686 2022 G C -0.465 174.502 174.900 0.110 0.000 1.088 2022 G CA -1.126 44.051 45.100 0.127 0.000 0.845 2022 G HN 0.256 nan 8.290 nan 0.000 0.565 2023 K N 1.174 121.620 120.400 0.077 0.000 2.419 2023 K HA 0.490 4.810 4.320 -0.000 0.000 0.282 2023 K C 1.206 177.849 176.600 0.071 0.000 1.056 2023 K CA 1.237 57.563 56.287 0.065 0.000 1.035 2023 K CB 0.685 33.213 32.500 0.046 0.000 0.921 2023 K HN 2.227 nan 8.250 nan 0.000 0.472 2024 G N 2.101 110.946 108.800 0.075 0.000 2.401 2024 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.283 2024 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.283 2024 G C 0.147 175.100 174.900 0.087 0.000 1.117 2024 G CA -0.073 45.071 45.100 0.075 0.000 1.051 2024 G HN 0.473 nan 8.290 nan 0.000 0.510 2025 S N -0.280 115.480 115.700 0.100 0.000 2.552 2025 S HA 0.632 5.102 4.470 -0.000 0.000 0.246 2025 S C 0.288 174.943 174.600 0.091 0.000 1.019 2025 S CA 0.410 58.670 58.200 0.099 0.000 1.045 2025 S CB -0.214 63.049 63.200 0.106 0.000 0.784 2025 S HN 1.144 nan 8.310 nan 0.000 0.453 2026 I N 1.247 121.873 120.570 0.094 0.000 2.624 2026 I HA 0.332 4.502 4.170 -0.000 0.000 0.296 2026 I C -2.165 174.005 176.117 0.089 0.000 1.792 2026 I CA -0.664 60.692 61.300 0.094 0.000 0.970 2026 I CB 1.468 39.516 38.000 0.081 0.000 1.502 2026 I HN 0.259 nan 8.210 nan 0.000 0.549 2027 M N 4.127 123.784 119.600 0.094 0.000 2.853 2027 M HA 0.482 4.962 4.480 -0.000 0.000 0.273 2027 M C -1.676 174.670 176.300 0.077 0.000 1.128 2027 M CA -1.024 54.323 55.300 0.079 0.000 0.814 2027 M CB 1.788 34.434 32.600 0.076 0.000 1.667 2027 M HN 0.542 nan 8.290 nan 0.000 0.519 2028 R N 0.801 121.335 120.500 0.057 0.000 2.537 2028 R HA 0.297 4.637 4.340 -0.000 0.000 0.280 2028 R C 0.760 177.091 176.300 0.052 0.000 1.058 2028 R CA -0.067 56.059 56.100 0.043 0.000 1.057 2028 R CB 0.653 30.971 30.300 0.029 0.000 0.973 2028 R HN 0.641 nan 8.270 nan 0.000 0.438 2029 L N 1.662 122.911 121.223 0.043 0.000 2.291 2029 L HA -0.032 4.308 4.340 -0.000 0.000 0.214 2029 L C 1.935 178.833 176.870 0.046 0.000 1.120 2029 L CA 1.130 56.004 54.840 0.058 0.000 0.799 2029 L CB -0.039 42.038 42.059 0.030 0.000 0.925 2029 L HN 0.850 nan 8.230 nan 0.000 0.446 2030 G N -0.869 107.948 108.800 0.028 0.000 3.181 2030 G HA2 0.010 3.970 3.960 -0.000 0.000 0.219 2030 G HA3 0.010 3.970 3.960 -0.000 0.000 0.219 2030 G C 0.341 175.256 174.900 0.025 0.000 1.182 2030 G CA -0.308 44.806 45.100 0.022 0.000 0.791 2030 G HN 0.230 nan 8.290 nan 0.000 0.537 2031 E N 0.102 120.321 120.200 0.032 0.000 2.313 2031 E HA 0.134 4.484 4.350 -0.000 0.000 0.276 2031 E C -0.005 176.612 176.600 0.027 0.000 1.031 2031 E CA -0.265 56.153 56.400 0.030 0.000 0.857 2031 E CB 1.127 30.848 29.700 0.035 0.000 1.040 2031 E HN 0.072 nan 8.360 nan 0.000 0.408 2032 D N 1.268 121.681 120.400 0.022 0.000 2.289 2032 D HA -0.053 4.587 4.640 -0.000 0.000 0.207 2032 D C 0.356 176.667 176.300 0.018 0.000 0.966 2032 D CA 0.483 54.494 54.000 0.018 0.000 0.868 2032 D CB 0.219 41.028 40.800 0.015 0.000 0.943 2032 D HN 0.087 nan 8.370 nan 0.000 0.514 2033 R N 1.438 121.951 120.500 0.022 0.000 2.446 2033 R HA 0.081 4.421 4.340 -0.000 0.000 0.314 2033 R C -0.569 175.745 176.300 0.023 0.000 1.003 2033 R CA 0.192 56.305 56.100 0.022 0.000 1.018 2033 R CB 0.078 30.392 30.300 0.025 0.000 0.945 2033 R HN 0.087 nan 8.270 nan 0.000 0.419 2034 S N 4.774 120.485 115.700 0.018 0.000 2.449 2034 S HA 0.341 4.811 4.470 -0.000 0.000 0.310 2034 S C 0.325 174.935 174.600 0.016 0.000 1.096 2034 S CA -1.032 57.178 58.200 0.016 0.000 1.095 2034 S CB 1.412 64.618 63.200 0.010 0.000 1.007 2034 S HN 0.519 nan 8.310 nan 0.000 0.474 2035 M N 2.642 122.253 119.600 0.019 0.000 2.327 2035 M HA 0.084 4.564 4.480 -0.000 0.000 0.353 2035 M C -0.340 175.967 176.300 0.013 0.000 1.539 2035 M CA 0.135 55.446 55.300 0.018 0.000 1.039 2035 M CB -0.437 32.176 32.600 0.022 0.000 1.967 2035 M HN 0.614 nan 8.290 nan 0.000 0.459 2036 D N 4.000 124.406 120.400 0.011 0.000 2.498 2036 D HA 0.299 4.939 4.640 -0.000 0.000 0.229 2036 D C -0.948 175.355 176.300 0.006 0.000 1.188 2036 D CA 0.195 54.199 54.000 0.007 0.000 1.028 2036 D CB 0.221 41.026 40.800 0.007 0.000 1.087 2036 D HN 0.233 nan 8.370 nan 0.000 0.510 2037 V N 1.954 121.871 119.914 0.005 0.000 2.815 2037 V HA 0.356 4.476 4.120 -0.000 0.000 0.314 2037 V C 0.566 176.659 176.094 -0.002 0.000 1.064 2037 V CA -1.086 61.215 62.300 0.002 0.000 0.952 2037 V CB 2.142 33.967 31.823 0.004 0.000 1.020 2037 V HN 0.245 nan 8.190 nan 0.000 0.439 2038 E N 1.303 121.501 120.200 -0.003 0.000 2.373 2038 E HA 0.494 4.844 4.350 -0.000 0.000 0.263 2038 E C -0.281 176.313 176.600 -0.009 0.000 1.073 2038 E CA -0.102 56.295 56.400 -0.005 0.000 0.894 2038 E CB 1.051 30.748 29.700 -0.004 0.000 1.008 2038 E HN 0.909 nan 8.360 nan 0.000 0.420 2039 T N -0.192 114.355 114.554 -0.011 0.000 2.886 2039 T HA 0.551 4.901 4.350 -0.000 0.000 0.292 2039 T C -0.483 174.207 174.700 -0.017 0.000 1.012 2039 T CA -0.914 61.176 62.100 -0.017 0.000 0.982 2039 T CB 0.774 69.630 68.868 -0.020 0.000 1.018 2039 T HN 0.135 nan 8.240 nan 0.000 0.451 2040 I N 2.383 122.941 120.570 -0.021 0.000 2.354 2040 I HA 0.354 4.524 4.170 -0.000 0.000 0.292 2040 I C 0.900 177.000 176.117 -0.029 0.000 0.989 2040 I CA -0.608 60.680 61.300 -0.020 0.000 1.188 2040 I CB 1.533 39.523 38.000 -0.016 0.000 1.342 2040 I HN 0.858 nan 8.210 nan 0.000 0.457 2041 S N 3.611 119.293 115.700 -0.029 0.000 2.546 2041 S HA 0.013 4.483 4.470 -0.000 0.000 0.290 2041 S C 1.612 176.181 174.600 -0.052 0.000 1.290 2041 S CA 0.144 58.316 58.200 -0.046 0.000 1.069 2041 S CB 0.380 63.558 63.200 -0.036 0.000 0.846 2041 S HN 0.810 nan 8.310 nan 0.000 0.495 2042 T N 2.672 117.177 114.554 -0.082 0.000 2.951 2042 T HA 0.223 4.573 4.350 -0.000 0.000 0.268 2042 T C 1.546 176.201 174.700 -0.075 0.000 1.073 2042 T CA 1.155 63.207 62.100 -0.081 0.000 1.134 2042 T CB -0.464 68.330 68.868 -0.123 0.000 0.884 2042 T HN 1.400 nan 8.240 nan 0.000 0.479 2043 G N 0.441 109.179 108.800 -0.104 0.000 2.436 2043 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.204 2043 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.204 2043 G C 0.379 175.150 174.900 -0.215 0.000 1.026 2043 G CA 0.172 45.223 45.100 -0.082 0.000 0.658 2043 G HN 0.979 nan 8.290 nan 0.000 0.499 2044 S N 2.106 117.614 115.700 -0.321 0.000 2.399 2044 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 2044 S C 1.865 176.200 174.600 -0.443 0.000 1.093 2044 S CA -0.426 57.468 58.200 -0.510 0.000 1.077 2044 S CB 0.213 62.790 63.200 -1.039 0.000 0.980 2044 S HN 0.349 nan 8.310 nan 0.000 0.494 2045 L N 4.399 125.350 121.223 -0.453 0.000 2.034 2045 L HA -0.162 4.178 4.340 -0.000 0.000 0.217 2045 L C 2.778 179.496 176.870 -0.254 0.000 1.077 2045 L CA 2.575 57.203 54.840 -0.354 0.000 0.769 2045 L CB -1.677 40.149 42.059 -0.388 0.000 0.890 2045 L HN 0.888 nan 8.230 nan 0.000 0.435 2046 S N -0.919 114.629 115.700 -0.254 0.000 2.423 2046 S HA -0.184 4.286 4.470 -0.000 0.000 0.231 2046 S C 1.989 176.480 174.600 -0.182 0.000 1.014 2046 S CA 0.832 58.929 58.200 -0.171 0.000 0.965 2046 S CB -0.574 62.564 63.200 -0.102 0.000 0.785 2046 S HN 0.429 nan 8.310 nan 0.000 0.495 2047 L N 1.555 122.603 121.223 -0.291 0.000 2.005 2047 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 2047 L C 2.107 178.882 176.870 -0.158 0.000 1.072 2047 L CA 1.963 56.663 54.840 -0.233 0.000 0.744 2047 L CB -0.621 41.246 42.059 -0.320 0.000 0.895 2047 L HN 0.181 nan 8.230 nan 0.000 0.433 2048 D N 0.355 120.652 120.400 -0.171 0.000 2.160 2048 D HA -0.288 4.352 4.640 -0.000 0.000 0.189 2048 D C 2.096 178.342 176.300 -0.090 0.000 1.003 2048 D CA 1.957 55.884 54.000 -0.122 0.000 0.846 2048 D CB -0.441 40.282 40.800 -0.129 0.000 0.949 2048 D HN 0.355 nan 8.370 nan 0.000 0.446 2049 I N 1.122 121.637 120.570 -0.092 0.000 2.087 2049 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 2049 I C 2.408 178.500 176.117 -0.042 0.000 1.054 2049 I CA 1.790 63.054 61.300 -0.060 0.000 1.311 2049 I CB -0.261 37.705 38.000 -0.058 0.000 1.024 2049 I HN -0.027 nan 8.210 nan 0.000 0.402 2050 A N -0.148 122.645 122.820 -0.045 0.000 2.119 2050 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 2050 A C 2.278 179.845 177.584 -0.028 0.000 1.153 2050 A CA 0.848 52.871 52.037 -0.023 0.000 0.692 2050 A CB -0.697 18.296 19.000 -0.012 0.000 0.799 2050 A HN 0.437 nan 8.150 nan 0.000 0.458 2051 L N -1.649 119.546 121.223 -0.047 0.000 2.191 2051 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 2051 L C 2.176 179.027 176.870 -0.031 0.000 1.103 2051 L CA 1.225 56.036 54.840 -0.048 0.000 0.769 2051 L CB -0.208 41.815 42.059 -0.060 0.000 0.908 2051 L HN 0.622 nan 8.230 nan 0.000 0.438 2052 G N -1.510 107.276 108.800 -0.023 0.000 2.420 2052 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.221 2052 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.221 2052 G C 0.998 175.891 174.900 -0.011 0.000 1.117 2052 G CA 0.417 45.511 45.100 -0.009 0.000 0.657 2052 G HN 0.458 nan 8.290 nan 0.000 0.512 2053 A N 0.364 123.174 122.820 -0.018 0.000 2.147 2053 A HA 0.585 4.905 4.320 -0.000 0.000 0.211 2053 A C 2.360 179.931 177.584 -0.023 0.000 1.160 2053 A CA 1.920 53.948 52.037 -0.015 0.000 0.781 2053 A CB -0.305 18.686 19.000 -0.014 0.000 0.842 2053 A HN 2.556 nan 8.150 nan 0.000 0.475 2054 G N -1.857 106.922 108.800 -0.034 0.000 2.203 2054 G HA2 0.398 4.358 3.960 -0.000 0.000 0.231 2054 G HA3 0.398 4.358 3.960 -0.000 0.000 0.231 2054 G C 0.804 175.674 174.900 -0.050 0.000 1.058 2054 G CA 0.279 45.352 45.100 -0.045 0.000 0.781 2054 G HN 2.314 nan 8.290 nan 0.000 0.496 2055 G N -1.630 107.138 108.800 -0.054 0.000 2.339 2055 G HA2 0.410 4.370 3.960 -0.000 0.000 0.381 2055 G HA3 0.410 4.370 3.960 -0.000 0.000 0.381 2055 G C -0.457 174.417 174.900 -0.044 0.000 1.400 2055 G CA -0.517 44.552 45.100 -0.052 0.000 1.002 2055 G HN 1.020 nan 8.290 nan 0.000 0.633 2056 L N 1.977 123.175 121.223 -0.041 0.000 2.397 2056 L HA 0.359 4.699 4.340 -0.000 0.000 0.271 2056 L C -1.477 175.376 176.870 -0.029 0.000 1.148 2056 L CA -1.616 53.202 54.840 -0.038 0.000 0.825 2056 L CB 1.040 43.077 42.059 -0.038 0.000 1.117 2056 L HN 0.352 nan 8.230 nan 0.000 0.456 2057 P HA -0.001 nan 4.420 nan 0.000 0.264 2057 P C -0.617 176.672 177.300 -0.018 0.000 1.193 2057 P CA -0.066 63.024 63.100 -0.018 0.000 0.763 2057 P CB 0.514 32.206 31.700 -0.014 0.000 0.810 2058 M N 2.181 121.773 119.600 -0.014 0.000 2.200 2058 M HA 0.189 4.669 4.480 -0.000 0.000 0.355 2058 M C 1.543 177.834 176.300 -0.014 0.000 1.283 2058 M CA 0.651 55.943 55.300 -0.015 0.000 1.124 2058 M CB -0.394 32.200 32.600 -0.011 0.000 1.625 2058 M HN 0.811 nan 8.290 nan 0.000 0.463 2059 G N 3.139 111.928 108.800 -0.019 0.000 2.179 2059 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.257 2059 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.257 2059 G C 0.121 175.011 174.900 -0.018 0.000 1.010 2059 G CA 0.019 45.107 45.100 -0.019 0.000 0.736 2059 G HN 0.578 nan 8.290 nan 0.000 0.513 2060 R N -0.839 119.651 120.500 -0.017 0.000 2.892 2060 R HA 0.667 5.007 4.340 -0.000 0.000 0.265 2060 R C 0.260 176.555 176.300 -0.009 0.000 1.025 2060 R CA -1.181 54.915 56.100 -0.006 0.000 0.982 2060 R CB 1.092 31.393 30.300 0.002 0.000 1.185 2060 R HN 0.194 nan 8.270 nan 0.000 0.484 2061 I N 1.431 122.013 120.570 0.020 0.000 2.365 2061 I HA 0.229 4.399 4.170 -0.000 0.000 0.291 2061 I C -0.172 175.966 176.117 0.035 0.000 1.004 2061 I CA -0.713 60.610 61.300 0.039 0.000 1.311 2061 I CB 1.504 39.583 38.000 0.131 0.000 1.401 2061 I HN 0.000 nan 8.210 nan 0.000 0.491 2062 V N 6.398 126.320 119.914 0.014 0.000 2.487 2062 V HA 0.274 4.394 4.120 -0.000 0.000 0.298 2062 V C -0.122 175.995 176.094 0.037 0.000 1.028 2062 V CA -0.636 61.660 62.300 -0.006 0.000 0.860 2062 V CB 1.883 33.683 31.823 -0.037 0.000 0.991 2062 V HN 0.688 nan 8.190 nan 0.000 0.427 2063 E N 4.979 125.174 120.200 -0.008 0.000 2.113 2063 E HA 0.521 4.871 4.350 -0.000 0.000 0.273 2063 E C -1.297 175.226 176.600 -0.129 0.000 0.924 2063 E CA -0.496 55.897 56.400 -0.012 0.000 0.764 2063 E CB 1.249 30.906 29.700 -0.073 0.000 1.104 2063 E HN 0.613 nan 8.360 nan 0.000 0.406 2064 I N 6.256 126.799 120.570 -0.045 0.000 2.339 2064 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 2064 I C -0.696 175.459 176.117 0.063 0.000 0.994 2064 I CA -0.890 60.380 61.300 -0.051 0.000 1.191 2064 I CB 0.474 38.481 38.000 0.013 0.000 1.343 2064 I HN 0.463 nan 8.210 nan 0.000 0.458 2065 Y N 4.615 124.918 120.300 0.005 0.000 2.662 2065 Y HA 1.004 5.554 4.550 -0.000 0.000 0.335 2065 Y C -0.145 175.756 175.900 0.001 0.000 1.066 2065 Y CA -2.501 55.598 58.100 -0.001 0.000 1.116 2065 Y CB 1.092 39.541 38.460 -0.019 0.000 1.308 2065 Y HN 0.639 nan 8.280 nan 0.000 0.502 2066 G N -0.231 108.681 108.800 0.187 0.000 2.313 2066 G HA2 0.431 4.391 3.960 -0.000 0.000 0.296 2066 G HA3 0.431 4.391 3.960 -0.000 0.000 0.296 2066 G C -3.510 171.370 174.900 -0.033 0.000 1.356 2066 G CA -1.157 43.967 45.100 0.039 0.000 0.833 2066 G HN 0.563 nan 8.290 nan 0.000 0.552 2067 P HA 0.218 nan 4.420 nan 0.000 0.271 2067 P C 0.294 177.579 177.300 -0.025 0.000 1.233 2067 P CA -0.127 62.947 63.100 -0.043 0.000 0.789 2067 P CB 0.391 32.067 31.700 -0.040 0.000 0.951 2068 E N -0.178 120.004 120.200 -0.029 0.000 2.459 2068 E HA 0.027 4.377 4.350 -0.000 0.000 0.264 2068 E C -0.353 176.227 176.600 -0.033 0.000 1.055 2068 E CA -0.372 56.011 56.400 -0.028 0.000 0.957 2068 E CB -0.514 29.167 29.700 -0.033 0.000 0.952 2068 E HN 0.308 nan 8.360 nan 0.000 0.448 2069 S N 0.741 116.415 115.700 -0.042 0.000 3.550 2069 S HA -0.199 4.271 4.470 -0.000 0.000 0.372 2069 S C 0.671 175.242 174.600 -0.048 0.000 0.966 2069 S CA 0.822 58.986 58.200 -0.060 0.000 1.229 2069 S CB -1.913 61.249 63.200 -0.063 0.000 0.917 2069 S HN 0.749 nan 8.310 nan 0.000 0.496 2070 S N -0.326 115.354 115.700 -0.033 0.000 2.510 2070 S HA 0.543 5.013 4.470 -0.000 0.000 0.230 2070 S C 1.587 176.170 174.600 -0.028 0.000 1.066 2070 S CA 0.610 58.797 58.200 -0.021 0.000 0.941 2070 S CB 0.661 63.864 63.200 0.005 0.000 0.829 2070 S HN 1.740 nan 8.310 nan 0.000 0.530 2071 G N 1.908 110.699 108.800 -0.015 0.000 3.272 2071 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 2071 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 2071 G C 0.862 175.790 174.900 0.045 0.000 0.952 2071 G CA 0.179 45.278 45.100 -0.001 0.000 0.833 2071 G HN 0.487 nan 8.290 nan 0.000 0.608 2072 K N 0.059 120.488 120.400 0.048 0.000 2.113 2072 K HA -0.088 4.232 4.320 -0.000 0.000 0.208 2072 K C 1.930 178.575 176.600 0.076 0.000 1.047 2072 K CA 1.919 58.250 56.287 0.073 0.000 0.928 2072 K CB -0.518 32.028 32.500 0.077 0.000 0.716 2072 K HN 0.164 nan 8.250 nan 0.000 0.446 2073 T N 0.955 115.543 114.554 0.058 0.000 2.851 2073 T HA -0.054 4.296 4.350 -0.000 0.000 0.262 2073 T C 1.750 176.508 174.700 0.096 0.000 1.043 2073 T CA 1.677 63.821 62.100 0.074 0.000 1.140 2073 T CB -0.314 68.586 68.868 0.053 0.000 0.872 2073 T HN 0.395 nan 8.240 nan 0.000 0.446 2074 T N 2.615 117.228 114.554 0.099 0.000 2.624 2074 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 2074 T C 1.862 176.657 174.700 0.159 0.000 1.041 2074 T CA 1.284 63.494 62.100 0.183 0.000 1.159 2074 T CB -0.585 68.399 68.868 0.192 0.000 0.863 2074 T HN 0.204 nan 8.240 nan 0.000 0.434 2075 L N 0.191 121.502 121.223 0.147 0.000 1.994 2075 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 2075 L C 2.823 179.750 176.870 0.095 0.000 1.071 2075 L CA 1.576 56.498 54.840 0.136 0.000 0.745 2075 L CB -0.726 41.422 42.059 0.149 0.000 0.892 2075 L HN 0.263 nan 8.230 nan 0.000 0.431 2076 T N -0.146 114.465 114.554 0.094 0.000 2.653 2076 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 2076 T C 1.704 176.458 174.700 0.090 0.000 1.035 2076 T CA 1.891 64.046 62.100 0.092 0.000 1.154 2076 T CB -0.203 68.734 68.868 0.115 0.000 0.862 2076 T HN 0.128 nan 8.240 nan 0.000 0.441 2077 L N 0.850 122.127 121.223 0.090 0.000 2.217 2077 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 2077 L C 2.654 179.547 176.870 0.039 0.000 1.107 2077 L CA 1.302 56.174 54.840 0.054 0.000 0.783 2077 L CB -0.491 41.600 42.059 0.054 0.000 0.919 2077 L HN 0.193 nan 8.230 nan 0.000 0.442 2078 Q N -0.667 119.167 119.800 0.056 0.000 2.167 2078 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 2078 Q C 2.309 178.325 176.000 0.027 0.000 0.970 2078 Q CA 1.827 57.656 55.803 0.043 0.000 0.855 2078 Q CB -0.125 28.652 28.738 0.065 0.000 0.911 2078 Q HN 0.569 nan 8.270 nan 0.000 0.438 2079 V N -1.803 118.127 119.914 0.026 0.000 2.379 2079 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 2079 V C 2.221 178.324 176.094 0.014 0.000 1.044 2079 V CA 1.141 63.449 62.300 0.014 0.000 1.036 2079 V CB -0.867 30.961 31.823 0.008 0.000 0.664 2079 V HN 0.144 nan 8.190 nan 0.000 0.453 2080 I N 1.186 121.770 120.570 0.023 0.000 2.423 2080 I HA -0.201 3.969 4.170 -0.000 0.000 0.254 2080 I C 2.778 178.897 176.117 0.004 0.000 1.151 2080 I CA 1.474 62.785 61.300 0.019 0.000 1.421 2080 I CB -0.540 37.476 38.000 0.027 0.000 1.079 2080 I HN 0.394 nan 8.210 nan 0.000 0.431 2081 A N 0.809 123.630 122.820 0.002 0.000 1.832 2081 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 2081 A C 2.571 180.156 177.584 0.002 0.000 1.204 2081 A CA 1.402 53.437 52.037 -0.004 0.000 0.606 2081 A CB -1.052 17.945 19.000 -0.005 0.000 0.849 2081 A HN 0.358 nan 8.150 nan 0.000 0.445 2082 A N -0.279 122.546 122.820 0.009 0.000 2.032 2082 A HA 0.070 4.390 4.320 -0.000 0.000 0.221 2082 A C 2.367 179.954 177.584 0.006 0.000 1.165 2082 A CA 2.322 54.365 52.037 0.011 0.000 0.645 2082 A CB -0.859 18.148 19.000 0.012 0.000 0.807 2082 A HN 1.065 nan 8.150 nan 0.000 0.453 2083 A N -1.256 121.566 122.820 0.004 0.000 1.898 2083 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 2083 A C 2.071 179.657 177.584 0.002 0.000 1.183 2083 A CA 1.344 53.382 52.037 0.002 0.000 0.622 2083 A CB -0.442 18.560 19.000 0.003 0.000 0.824 2083 A HN 0.583 nan 8.150 nan 0.000 0.444 2084 Q N -0.943 118.858 119.800 0.002 0.000 2.364 2084 Q HA -0.007 4.333 4.340 -0.000 0.000 0.207 2084 Q C 1.418 177.417 176.000 -0.001 0.000 0.970 2084 Q CA 0.646 56.450 55.803 0.000 0.000 0.888 2084 Q CB 0.004 28.740 28.738 -0.003 0.000 0.951 2084 Q HN 0.509 nan 8.270 nan 0.000 0.469 2085 R N -0.090 120.410 120.500 -0.001 0.000 2.426 2085 R HA 0.065 4.405 4.340 -0.000 0.000 0.263 2085 R C 0.451 176.751 176.300 -0.000 0.000 0.961 2085 R CA 0.140 56.239 56.100 -0.002 0.000 1.086 2085 R CB 0.468 30.767 30.300 -0.003 0.000 1.186 2085 R HN 0.173 nan 8.270 nan 0.000 0.537 2086 E N -1.551 118.649 120.200 0.001 0.000 2.641 2086 E HA 0.156 4.506 4.350 -0.000 0.000 0.224 2086 E C 0.691 177.292 176.600 0.001 0.000 0.951 2086 E CA 0.328 56.729 56.400 0.001 0.000 1.102 2086 E CB 1.462 31.163 29.700 0.002 0.000 1.091 2086 E HN 0.419 nan 8.360 nan 0.000 0.507 2087 G N 2.115 110.916 108.800 0.001 0.000 2.611 2087 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.208 2087 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.208 2087 G C 0.109 175.011 174.900 0.004 0.000 1.201 2087 G CA -0.301 44.801 45.100 0.003 0.000 0.739 2087 G HN 0.126 nan 8.290 nan 0.000 0.528 2088 K N 2.952 123.354 120.400 0.003 0.000 2.477 2088 K HA 0.284 4.604 4.320 -0.000 0.000 0.275 2088 K C 0.522 177.125 176.600 0.006 0.000 1.054 2088 K CA 1.191 57.480 56.287 0.004 0.000 1.135 2088 K CB 0.080 32.581 32.500 0.002 0.000 0.854 2088 K HN 0.603 nan 8.250 nan 0.000 0.484 2089 T N 0.151 114.710 114.554 0.009 0.000 2.907 2089 T HA 0.520 4.870 4.350 -0.000 0.000 0.284 2089 T C 0.289 175.000 174.700 0.018 0.000 1.004 2089 T CA -1.088 61.020 62.100 0.014 0.000 1.063 2089 T CB 0.726 69.604 68.868 0.017 0.000 0.992 2089 T HN 0.637 nan 8.240 nan 0.000 0.483 2090 C N 0.741 120.056 119.300 0.026 0.000 2.719 2090 C HA 1.011 5.471 4.460 -0.000 0.000 0.327 2090 C C 0.231 175.256 174.990 0.058 0.000 1.238 2090 C CA -1.181 57.858 59.018 0.035 0.000 1.727 2090 C CB 0.689 28.452 27.740 0.038 0.000 2.256 2090 C HN 1.251 nan 8.230 nan 0.000 0.489 2091 A N 0.639 123.501 122.820 0.069 0.000 2.414 2091 A HA 0.855 5.175 4.320 -0.000 0.000 0.306 2091 A C -1.455 176.222 177.584 0.155 0.000 1.054 2091 A CA -0.244 51.852 52.037 0.099 0.000 0.724 2091 A CB 1.160 20.193 19.000 0.055 0.000 1.267 2091 A HN 1.021 nan 8.150 nan 0.000 0.418 2092 F N 4.028 123.985 119.950 0.012 0.000 2.496 2092 F HA 0.568 5.095 4.527 -0.000 0.000 0.341 2092 F C -0.975 174.853 175.800 0.047 0.000 1.134 2092 F CA -0.989 57.020 58.000 0.016 0.000 0.968 2092 F CB 1.022 40.029 39.000 0.012 0.000 1.205 2092 F HN 0.387 nan 8.300 nan 0.000 0.436 2093 I N 4.520 124.890 120.570 -0.332 0.000 2.325 2093 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 2093 I C -0.507 175.367 176.117 -0.404 0.000 1.019 2093 I CA -0.417 60.748 61.300 -0.224 0.000 1.302 2093 I CB 0.880 38.784 38.000 -0.159 0.000 1.401 2093 I HN 0.483 nan 8.210 nan 0.000 0.485 2094 D N 5.063 125.393 120.400 -0.117 0.000 2.414 2094 D HA 0.589 5.229 4.640 -0.000 0.000 0.232 2094 D C 0.449 176.772 176.300 0.038 0.000 1.070 2094 D CA -0.317 53.669 54.000 -0.024 0.000 0.839 2094 D CB 1.861 42.919 40.800 0.429 0.000 1.079 2094 D HN 0.631 nan 8.370 nan 0.000 0.521 2095 A N 3.730 126.504 122.820 -0.077 0.000 2.303 2095 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 2095 A C 1.545 178.850 177.584 -0.466 0.000 1.205 2095 A CA 0.111 52.079 52.037 -0.115 0.000 0.875 2095 A CB 0.224 19.278 19.000 0.091 0.000 0.910 2095 A HN 0.471 nan 8.150 nan 0.000 0.501 2096 E N -0.220 119.776 120.200 -0.340 0.000 2.166 2096 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 2096 E C -0.617 175.884 176.600 -0.167 0.000 0.967 2096 E CA 0.492 56.757 56.400 -0.225 0.000 0.840 2096 E CB -0.245 29.439 29.700 -0.028 0.000 0.795 2096 E HN 0.804 nan 8.360 nan 0.000 0.470 2097 H N -0.631 118.577 119.070 0.229 0.000 2.765 2097 H HA -0.178 4.378 4.556 -0.000 0.000 0.332 2097 H C 0.427 175.958 175.328 0.339 0.000 1.180 2097 H CA -0.069 56.181 56.048 0.336 0.000 1.142 2097 H CB -1.346 28.500 29.762 0.140 0.000 1.576 2097 H HN 0.279 nan 8.280 nan 0.000 0.420 2098 A N 1.401 124.465 122.820 0.406 0.000 2.084 2098 A HA 0.437 4.757 4.320 -0.000 0.000 0.211 2098 A C 0.844 178.501 177.584 0.123 0.000 2.280 2098 A CA 0.092 52.261 52.037 0.219 0.000 1.128 2098 A CB 0.030 19.107 19.000 0.130 0.000 1.248 2098 A HN 0.708 nan 8.150 nan 0.000 0.624 2099 L N 1.447 122.648 121.223 -0.036 0.000 4.639 2099 L HA -0.166 4.174 4.340 -0.000 0.000 0.580 2099 L C -0.947 175.785 176.870 -0.230 0.000 0.983 2099 L CA 0.698 55.359 54.840 -0.298 0.000 0.510 2099 L CB -0.981 40.590 42.059 -0.814 0.000 0.381 2099 L HN 0.521 nan 8.230 nan 0.000 1.152 2100 D N 8.256 128.583 120.400 -0.122 0.000 2.380 2100 D HA 0.295 4.935 4.640 -0.000 0.000 0.230 2100 D C -1.474 174.804 176.300 -0.038 0.000 1.154 2100 D CA -1.852 52.127 54.000 -0.036 0.000 0.859 2100 D CB 1.198 42.003 40.800 0.007 0.000 1.045 2100 D HN 0.433 nan 8.370 nan 0.000 0.495 2101 P HA -0.206 nan 4.420 nan 0.000 0.214 2101 P C 1.827 179.124 177.300 -0.004 0.000 1.163 2101 P CA 0.744 63.813 63.100 -0.052 0.000 0.889 2101 P CB 0.435 32.140 31.700 0.009 0.000 0.790 2102 I N -1.432 119.159 120.570 0.035 0.000 2.163 2102 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 2102 I C 2.685 178.836 176.117 0.057 0.000 1.085 2102 I CA 1.593 62.920 61.300 0.045 0.000 1.347 2102 I CB -1.788 36.248 38.000 0.060 0.000 1.044 2102 I HN -0.062 nan 8.210 nan 0.000 0.408 2103 Y N 1.861 122.141 120.300 -0.034 0.000 2.181 2103 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 2103 Y C 2.632 178.505 175.900 -0.044 0.000 1.146 2103 Y CA 1.916 59.995 58.100 -0.035 0.000 1.164 2103 Y CB -0.218 38.214 38.460 -0.046 0.000 0.982 2103 Y HN 0.128 nan 8.280 nan 0.000 0.515 2104 A N 0.262 123.096 122.820 0.022 0.000 1.902 2104 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 2104 A C 2.331 179.854 177.584 -0.101 0.000 1.181 2104 A CA 1.733 53.732 52.037 -0.064 0.000 0.623 2104 A CB -0.758 18.188 19.000 -0.090 0.000 0.818 2104 A HN 0.507 nan 8.150 nan 0.000 0.443 2105 R N -0.252 120.205 120.500 -0.072 0.000 2.091 2105 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 2105 R C 1.955 178.206 176.300 -0.082 0.000 1.136 2105 R CA 1.930 57.994 56.100 -0.061 0.000 0.959 2105 R CB -0.184 30.097 30.300 -0.033 0.000 0.856 2105 R HN 0.505 nan 8.270 nan 0.000 0.437 2106 K N -0.050 120.280 120.400 -0.117 0.000 2.366 2106 K HA -0.012 4.308 4.320 -0.000 0.000 0.198 2106 K C 1.853 178.341 176.600 -0.186 0.000 1.044 2106 K CA 0.466 56.672 56.287 -0.135 0.000 0.973 2106 K CB 0.166 32.587 32.500 -0.130 0.000 0.767 2106 K HN 0.213 nan 8.250 nan 0.000 0.475 2107 L N -0.508 120.564 121.223 -0.252 0.000 2.240 2107 L HA -0.016 4.324 4.340 -0.000 0.000 0.211 2107 L C 0.978 177.787 176.870 -0.101 0.000 1.106 2107 L CA 0.904 55.613 54.840 -0.217 0.000 0.793 2107 L CB 0.181 42.090 42.059 -0.250 0.000 0.927 2107 L HN 0.485 nan 8.230 nan 0.000 0.446 2108 G N -0.371 108.378 108.800 -0.086 0.000 2.157 2108 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.118 2108 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.118 2108 G C -0.281 174.594 174.900 -0.042 0.000 1.032 2108 G CA -0.360 44.710 45.100 -0.051 0.000 0.697 2108 G HN -0.001 nan 8.290 nan 0.000 0.495 2109 V N 0.982 120.864 119.914 -0.053 0.000 2.407 2109 V HA 0.444 4.564 4.120 -0.000 0.000 0.278 2109 V C 0.220 176.288 176.094 -0.043 0.000 1.037 2109 V CA -0.743 61.528 62.300 -0.049 0.000 0.900 2109 V CB 1.811 33.592 31.823 -0.070 0.000 0.983 2109 V HN 0.283 nan 8.190 nan 0.000 0.459 2110 D N 4.401 124.783 120.400 -0.030 0.000 2.455 2110 D HA 0.120 4.760 4.640 -0.000 0.000 0.234 2110 D C 1.087 177.372 176.300 -0.025 0.000 1.224 2110 D CA -0.155 53.832 54.000 -0.022 0.000 0.999 2110 D CB 0.530 41.323 40.800 -0.012 0.000 1.072 2110 D HN 0.298 nan 8.370 nan 0.000 0.514 2111 I N 2.514 123.065 120.570 -0.032 0.000 2.208 2111 I HA -0.259 3.911 4.170 -0.000 0.000 0.245 2111 I C 1.364 177.475 176.117 -0.010 0.000 1.097 2111 I CA 1.105 62.382 61.300 -0.039 0.000 1.363 2111 I CB -0.611 37.364 38.000 -0.042 0.000 1.051 2111 I HN 0.321 nan 8.210 nan 0.000 0.413 2112 D N 0.938 121.339 120.400 0.001 0.000 2.133 2112 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 2112 D C 1.304 177.615 176.300 0.018 0.000 0.997 2112 D CA 1.140 55.149 54.000 0.014 0.000 0.840 2112 D CB -0.258 40.550 40.800 0.013 0.000 0.947 2112 D HN 0.302 nan 8.370 nan 0.000 0.452 2113 N N 0.123 118.830 118.700 0.012 0.000 2.251 2113 N HA 0.076 4.816 4.740 -0.000 0.000 0.217 2113 N C -0.139 175.382 175.510 0.020 0.000 1.124 2113 N CA -0.101 52.959 53.050 0.017 0.000 0.843 2113 N CB 0.606 39.100 38.487 0.012 0.000 1.024 2113 N HN 0.212 nan 8.380 nan 0.000 0.501 2114 L N 1.157 122.390 121.223 0.017 0.000 2.379 2114 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 2114 L C -0.522 176.380 176.870 0.055 0.000 1.084 2114 L CA -0.346 54.508 54.840 0.023 0.000 0.802 2114 L CB 1.107 43.156 42.059 -0.016 0.000 1.175 2114 L HN -0.078 nan 8.230 nan 0.000 0.448 2115 L N 4.517 125.789 121.223 0.082 0.000 2.282 2115 L HA 0.364 4.704 4.340 -0.000 0.000 0.288 2115 L C -0.269 176.706 176.870 0.175 0.000 1.033 2115 L CA -0.407 54.498 54.840 0.108 0.000 0.807 2115 L CB 1.609 43.722 42.059 0.090 0.000 1.209 2115 L HN 0.635 nan 8.230 nan 0.000 0.423 2116 C N 2.329 121.746 119.300 0.195 0.000 2.456 2116 C HA 0.770 5.230 4.460 -0.000 0.000 0.325 2116 C C -0.030 175.097 174.990 0.227 0.000 1.217 2116 C CA -0.185 59.011 59.018 0.298 0.000 1.687 2116 C CB 1.518 29.481 27.740 0.371 0.000 2.270 2116 C HN 0.823 nan 8.230 nan 0.000 0.499 2117 S N 4.168 120.006 115.700 0.229 0.000 2.789 2117 S HA 0.371 4.841 4.470 -0.000 0.000 0.286 2117 S C -1.008 173.687 174.600 0.159 0.000 1.153 2117 S CA -0.314 57.973 58.200 0.145 0.000 1.084 2117 S CB 1.219 64.463 63.200 0.073 0.000 1.036 2117 S HN 0.842 nan 8.310 nan 0.000 0.484 2118 Q N 3.116 123.016 119.800 0.167 0.000 2.569 2118 Q HA 0.282 4.622 4.340 -0.000 0.000 0.226 2118 Q C -2.485 173.628 176.000 0.189 0.000 1.136 2118 Q CA -1.791 54.141 55.803 0.215 0.000 0.947 2118 Q CB 0.546 29.382 28.738 0.164 0.000 1.218 2118 Q HN 0.330 nan 8.270 nan 0.000 0.547 2119 P HA 0.029 nan 4.420 nan 0.000 0.276 2119 P C 0.120 177.538 177.300 0.196 0.000 1.252 2119 P CA -0.377 62.785 63.100 0.103 0.000 0.802 2119 P CB 1.156 32.861 31.700 0.008 0.000 1.035 2120 D N -1.045 119.411 120.400 0.093 0.000 2.201 2120 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 2120 D C 0.027 176.199 176.300 -0.214 0.000 0.961 2120 D CA 1.310 55.371 54.000 0.101 0.000 0.861 2120 D CB 0.585 41.459 40.800 0.123 0.000 0.997 2120 D HN 0.312 nan 8.370 nan 0.000 0.486 2121 T N -1.803 112.606 114.554 -0.242 0.000 2.900 2121 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 2121 T C 1.126 175.651 174.700 -0.292 0.000 1.044 2121 T CA -0.093 61.782 62.100 -0.375 0.000 0.995 2121 T CB 1.597 70.329 68.868 -0.226 0.000 1.072 2121 T HN -0.008 nan 8.240 nan 0.000 0.473 2122 G N 2.575 111.182 108.800 -0.322 0.000 2.599 2122 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 2122 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 2122 G C 1.049 175.881 174.900 -0.114 0.000 1.193 2122 G CA 1.716 46.714 45.100 -0.171 0.000 0.778 2122 G HN 0.844 nan 8.290 nan 0.000 0.589 2123 E N -0.149 119.985 120.200 -0.109 0.000 2.045 2123 E HA -0.278 4.072 4.350 -0.000 0.000 0.212 2123 E C 2.478 179.025 176.600 -0.089 0.000 1.039 2123 E CA 1.880 58.240 56.400 -0.067 0.000 0.860 2123 E CB -0.418 29.254 29.700 -0.047 0.000 0.776 2123 E HN 0.653 nan 8.360 nan 0.000 0.467 2124 Q N 0.244 119.966 119.800 -0.131 0.000 2.118 2124 Q HA -0.329 4.011 4.340 -0.000 0.000 0.211 2124 Q C 2.124 177.947 176.000 -0.296 0.000 0.998 2124 Q CA 2.088 57.736 55.803 -0.259 0.000 0.872 2124 Q CB -0.312 28.274 28.738 -0.254 0.000 0.925 2124 Q HN 0.319 nan 8.270 nan 0.000 0.414 2125 A N 0.827 123.538 122.820 -0.182 0.000 1.869 2125 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 2125 A C 2.122 179.648 177.584 -0.096 0.000 1.203 2125 A CA 1.934 53.896 52.037 -0.125 0.000 0.638 2125 A CB -1.078 17.887 19.000 -0.058 0.000 0.831 2125 A HN 0.491 nan 8.150 nan 0.000 0.450 2126 L N -0.771 120.426 121.223 -0.044 0.000 1.990 2126 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 2126 L C 2.605 179.467 176.870 -0.013 0.000 1.072 2126 L CA 1.983 56.830 54.840 0.011 0.000 0.755 2126 L CB -0.774 41.312 42.059 0.046 0.000 0.889 2126 L HN 0.483 nan 8.230 nan 0.000 0.432 2127 E N 0.032 120.208 120.200 -0.039 0.000 2.267 2127 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 2127 E C 2.194 178.797 176.600 0.006 0.000 0.998 2127 E CA 1.097 57.507 56.400 0.016 0.000 0.830 2127 E CB -0.172 29.573 29.700 0.075 0.000 0.751 2127 E HN 0.553 nan 8.360 nan 0.000 0.491 2128 I N 0.475 120.957 120.570 -0.147 0.000 2.233 2128 I HA -0.283 3.887 4.170 -0.000 0.000 0.243 2128 I C 2.431 178.544 176.117 -0.006 0.000 1.093 2128 I CA 0.609 61.847 61.300 -0.102 0.000 1.380 2128 I CB -0.327 37.559 38.000 -0.190 0.000 1.067 2128 I HN 0.215 nan 8.210 nan 0.000 0.413 2129 C N 0.349 119.633 119.300 -0.026 0.000 2.401 2129 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 2129 C C 2.496 177.492 174.990 0.009 0.000 1.233 2129 C CA 0.485 59.491 59.018 -0.020 0.000 1.753 2129 C CB -1.110 26.605 27.740 -0.041 0.000 2.029 2129 C HN 0.539 nan 8.230 nan 0.000 0.478 2130 D N 0.831 121.250 120.400 0.031 0.000 2.230 2130 D HA -0.200 4.440 4.640 -0.000 0.000 0.189 2130 D C 2.248 178.578 176.300 0.050 0.000 1.006 2130 D CA 2.434 56.462 54.000 0.046 0.000 0.853 2130 D CB -0.347 40.498 40.800 0.074 0.000 0.959 2130 D HN 0.519 nan 8.370 nan 0.000 0.449 2131 A N -0.127 122.740 122.820 0.079 0.000 2.119 2131 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 2131 A C 2.416 180.033 177.584 0.055 0.000 1.152 2131 A CA 0.277 52.358 52.037 0.074 0.000 0.708 2131 A CB -0.347 18.719 19.000 0.109 0.000 0.805 2131 A HN 0.252 nan 8.150 nan 0.000 0.460 2132 L N -1.108 120.142 121.223 0.045 0.000 2.291 2132 L HA -0.090 4.250 4.340 -0.000 0.000 0.214 2132 L C 2.924 179.802 176.870 0.013 0.000 1.120 2132 L CA 0.751 55.607 54.840 0.028 0.000 0.799 2132 L CB -0.299 41.770 42.059 0.017 0.000 0.925 2132 L HN 0.435 nan 8.230 nan 0.000 0.446 2133 A N 0.180 123.005 122.820 0.009 0.000 1.854 2133 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 2133 A C 1.560 179.148 177.584 0.006 0.000 1.192 2133 A CA 0.715 52.752 52.037 0.000 0.000 0.611 2133 A CB -0.305 18.692 19.000 -0.004 0.000 0.832 2133 A HN 0.275 nan 8.150 nan 0.000 0.442 2134 R N 0.827 121.335 120.500 0.014 0.000 3.641 2134 R HA 0.141 4.481 4.340 -0.000 0.000 0.189 2134 R C 0.527 176.837 176.300 0.017 0.000 1.706 2134 R CA 0.519 56.628 56.100 0.014 0.000 1.311 2134 R CB -0.211 30.099 30.300 0.017 0.000 1.330 2134 R HN 0.699 nan 8.270 nan 0.000 0.727 2135 S N -1.906 113.801 115.700 0.013 0.000 3.050 2135 S HA 0.127 4.597 4.470 -0.000 0.000 0.261 2135 S C 1.391 175.997 174.600 0.010 0.000 1.057 2135 S CA 0.241 58.449 58.200 0.014 0.000 1.012 2135 S CB 0.540 63.752 63.200 0.019 0.000 0.919 2135 S HN 0.493 nan 8.310 nan 0.000 0.429 2136 G N 1.687 110.491 108.800 0.007 0.000 2.184 2136 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.264 2136 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.264 2136 G C 0.841 175.744 174.900 0.005 0.000 0.975 2136 G CA 0.532 45.634 45.100 0.004 0.000 0.642 2136 G HN 1.622 nan 8.290 nan 0.000 0.536 2137 A N -0.897 121.928 122.820 0.008 0.000 2.288 2137 A HA 0.678 4.998 4.320 -0.000 0.000 0.216 2137 A C 0.879 178.470 177.584 0.011 0.000 1.199 2137 A CA 1.057 53.100 52.037 0.010 0.000 0.891 2137 A CB 0.655 19.663 19.000 0.013 0.000 0.923 2137 A HN 0.990 nan 8.150 nan 0.000 0.500 2138 V N 1.657 121.577 119.914 0.010 0.000 2.364 2138 V HA 0.210 4.330 4.120 -0.000 0.000 0.272 2138 V C -0.066 176.028 176.094 0.000 0.000 1.036 2138 V CA -0.327 61.978 62.300 0.009 0.000 0.880 2138 V CB 1.176 33.005 31.823 0.009 0.000 0.991 2138 V HN 0.375 nan 8.190 nan 0.000 0.460 2139 D N 2.670 123.070 120.400 0.000 0.000 2.389 2139 D HA 0.130 4.770 4.640 -0.000 0.000 0.206 2139 D C 0.184 176.477 176.300 -0.012 0.000 1.055 2139 D CA 0.835 54.831 54.000 -0.005 0.000 0.856 2139 D CB 1.914 42.713 40.800 -0.002 0.000 0.957 2139 D HN 0.415 nan 8.370 nan 0.000 0.509 2140 V N 1.257 121.165 119.914 -0.010 0.000 2.653 2140 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 2140 V C -1.741 174.342 176.094 -0.017 0.000 1.097 2140 V CA -0.701 61.588 62.300 -0.018 0.000 0.908 2140 V CB 1.654 33.473 31.823 -0.007 0.000 1.024 2140 V HN -0.135 nan 8.190 nan 0.000 0.435 2141 I N 6.538 127.077 120.570 -0.053 0.000 2.412 2141 I HA 0.627 4.797 4.170 -0.000 0.000 0.296 2141 I C -0.559 175.491 176.117 -0.111 0.000 0.987 2141 I CA -1.006 60.249 61.300 -0.074 0.000 1.180 2141 I CB 2.051 39.981 38.000 -0.117 0.000 1.340 2141 I HN 0.380 nan 8.210 nan 0.000 0.455 2142 V N 6.743 126.606 119.914 -0.084 0.000 2.540 2142 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 2142 V C -0.367 175.571 176.094 -0.261 0.000 1.035 2142 V CA -0.610 61.621 62.300 -0.115 0.000 0.873 2142 V CB 2.424 34.277 31.823 0.050 0.000 0.992 2142 V HN 0.417 nan 8.190 nan 0.000 0.428 2143 V N 3.100 122.864 119.914 -0.249 0.000 2.350 2143 V HA 0.512 4.632 4.120 -0.000 0.000 0.285 2143 V C -0.736 175.284 176.094 -0.124 0.000 1.014 2143 V CA -0.552 61.622 62.300 -0.210 0.000 0.831 2143 V CB 1.629 33.401 31.823 -0.085 0.000 1.000 2143 V HN 0.803 nan 8.190 nan 0.000 0.433 2144 D N 3.638 123.887 120.400 -0.252 0.000 2.461 2144 D HA 0.614 5.254 4.640 -0.000 0.000 0.240 2144 D C -0.310 175.935 176.300 -0.092 0.000 1.094 2144 D CA 0.274 54.189 54.000 -0.141 0.000 0.868 2144 D CB 1.776 42.470 40.800 -0.177 0.000 1.062 2144 D HN 0.767 nan 8.370 nan 0.000 0.530 2145 S N 1.034 116.723 115.700 -0.019 0.000 2.607 2145 S HA 0.311 4.781 4.470 -0.000 0.000 0.273 2145 S C 1.038 175.661 174.600 0.039 0.000 1.148 2145 S CA -0.668 57.548 58.200 0.026 0.000 0.833 2145 S CB 1.274 64.487 63.200 0.021 0.000 1.130 2145 S HN -0.013 nan 8.310 nan 0.000 0.470 2146 V N 1.835 121.777 119.914 0.046 0.000 2.233 2146 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 2146 V C 3.117 179.192 176.094 -0.032 0.000 1.063 2146 V CA 2.993 65.275 62.300 -0.031 0.000 1.032 2146 V CB -1.689 30.072 31.823 -0.104 0.000 0.645 2146 V HN 1.074 nan 8.190 nan 0.000 0.446 2147 A N -0.424 122.385 122.820 -0.018 0.000 1.940 2147 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 2147 A C 2.275 179.862 177.584 0.004 0.000 1.176 2147 A CA 2.179 54.206 52.037 -0.016 0.000 0.631 2147 A CB -0.680 18.310 19.000 -0.016 0.000 0.814 2147 A HN 0.686 nan 8.150 nan 0.000 0.446 2148 A N -1.158 121.674 122.820 0.020 0.000 2.169 2148 A HA 0.287 4.607 4.320 -0.000 0.000 0.212 2148 A C 1.012 178.678 177.584 0.138 0.000 1.153 2148 A CA 0.280 52.355 52.037 0.063 0.000 0.756 2148 A CB -0.203 18.809 19.000 0.020 0.000 0.813 2148 A HN 0.301 nan 8.150 nan 0.000 0.471 2149 L N 2.784 124.045 121.223 0.063 0.000 3.168 2149 L HA 0.033 4.373 4.340 -0.000 0.000 0.253 2149 L C 0.638 177.484 176.870 -0.040 0.000 1.384 2149 L CA 0.718 55.570 54.840 0.021 0.000 1.131 2149 L CB -2.260 39.796 42.059 -0.004 0.000 1.552 2149 L HN 0.411 nan 8.230 nan 0.000 0.431 2150 T N -0.028 114.518 114.554 -0.012 0.000 2.834 2150 T HA 0.277 4.627 4.350 -0.000 0.000 0.298 2150 T C -2.059 172.523 174.700 -0.197 0.000 0.966 2150 T CA -1.369 60.694 62.100 -0.061 0.000 1.141 2150 T CB 0.654 69.544 68.868 0.038 0.000 0.905 2150 T HN 0.184 nan 8.240 nan 0.000 0.535 2151 P HA 0.137 nan 4.420 nan 0.000 0.274 2151 P C 0.826 178.021 177.300 -0.174 0.000 1.260 2151 P CA -0.647 62.363 63.100 -0.150 0.000 0.793 2151 P CB 1.047 32.692 31.700 -0.091 0.000 1.048 2152 K N 0.622 120.937 120.400 -0.142 0.000 2.057 2152 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 2152 K C 1.986 178.529 176.600 -0.094 0.000 1.050 2152 K CA 1.573 57.785 56.287 -0.125 0.000 0.935 2152 K CB -0.740 31.717 32.500 -0.071 0.000 0.715 2152 K HN 0.452 nan 8.250 nan 0.000 0.439 2153 A N 1.335 124.113 122.820 -0.069 0.000 1.927 2153 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 2153 A C 1.968 179.517 177.584 -0.058 0.000 1.185 2153 A CA 2.066 54.072 52.037 -0.050 0.000 0.639 2153 A CB -0.499 18.477 19.000 -0.039 0.000 0.820 2153 A HN 0.532 nan 8.150 nan 0.000 0.451 2154 E N -0.789 119.366 120.200 -0.074 0.000 2.230 2154 E HA 0.021 4.371 4.350 -0.000 0.000 0.192 2154 E C 1.634 178.180 176.600 -0.090 0.000 0.987 2154 E CA 0.337 56.696 56.400 -0.068 0.000 0.841 2154 E CB -0.110 29.555 29.700 -0.058 0.000 0.783 2154 E HN 0.673 nan 8.360 nan 0.000 0.481 2155 I N 0.999 121.484 120.570 -0.141 0.000 2.916 2155 I HA -0.143 4.027 4.170 -0.000 0.000 0.267 2155 I C 0.626 176.638 176.117 -0.174 0.000 1.263 2155 I CA 0.874 62.047 61.300 -0.213 0.000 1.471 2155 I CB -0.012 37.786 38.000 -0.337 0.000 1.089 2155 I HN 0.077 nan 8.210 nan 0.000 0.468 2166 L N -0.281 120.929 121.223 -0.023 0.000 2.253 2166 L HA 0.655 4.995 4.340 -0.000 0.000 0.205 2166 L C 2.161 179.016 176.870 -0.024 0.000 1.078 2166 L CA 1.103 55.930 54.840 -0.022 0.000 0.805 2166 L CB -0.301 41.747 42.059 -0.018 0.000 0.963 2166 L HN 0.319 nan 8.230 nan 0.000 0.459 2167 A N 0.989 123.792 122.820 -0.027 0.000 2.900 2167 A HA 0.531 4.851 4.320 -0.000 0.000 0.246 2167 A C 1.737 179.300 177.584 -0.035 0.000 1.725 2167 A CA 0.501 52.520 52.037 -0.030 0.000 1.400 2167 A CB -0.842 18.138 19.000 -0.034 0.000 0.973 2167 A HN 0.474 nan 8.150 nan 0.000 0.635 2168 A N 0.084 122.884 122.820 -0.033 0.000 2.235 2168 A HA 0.007 4.327 4.320 -0.000 0.000 0.208 2168 A C 2.030 179.594 177.584 -0.033 0.000 1.172 2168 A CA 0.632 52.645 52.037 -0.040 0.000 0.786 2168 A CB -0.275 18.703 19.000 -0.038 0.000 0.804 2168 A HN 0.690 nan 8.150 nan 0.000 0.479 2169 R N -0.870 119.616 120.500 -0.023 0.000 2.092 2169 R HA -0.064 4.276 4.340 -0.000 0.000 0.231 2169 R C 2.208 178.502 176.300 -0.011 0.000 1.119 2169 R CA 1.496 57.588 56.100 -0.013 0.000 0.970 2169 R CB -0.446 29.848 30.300 -0.010 0.000 0.864 2169 R HN 0.655 nan 8.270 nan 0.000 0.440 2170 M N 0.138 119.726 119.600 -0.021 0.000 2.080 2170 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 2170 M C 1.915 178.204 176.300 -0.018 0.000 1.068 2170 M CA 1.684 56.972 55.300 -0.021 0.000 1.109 2170 M CB -0.014 32.564 32.600 -0.037 0.000 1.342 2170 M HN 0.175 nan 8.290 nan 0.000 0.405 2171 M N 0.199 119.776 119.600 -0.039 0.000 2.149 2171 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 2171 M C 2.132 178.425 176.300 -0.012 0.000 1.064 2171 M CA 1.715 56.981 55.300 -0.058 0.000 1.102 2171 M CB -1.106 31.426 32.600 -0.113 0.000 1.369 2171 M HN 0.341 nan 8.290 nan 0.000 0.408 2172 S N -0.251 115.451 115.700 0.004 0.000 2.423 2172 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 2172 S C 1.559 176.198 174.600 0.065 0.000 1.014 2172 S CA 0.752 58.975 58.200 0.038 0.000 0.965 2172 S CB -0.096 63.118 63.200 0.024 0.000 0.785 2172 S HN 0.413 nan 8.310 nan 0.000 0.495 2173 Q N 2.110 121.937 119.800 0.044 0.000 1.596 2173 Q HA 0.161 4.501 4.340 -0.000 0.000 0.476 2173 Q C 1.994 178.032 176.000 0.064 0.000 0.959 2173 Q CA 1.607 57.438 55.803 0.048 0.000 0.901 2173 Q CB -0.770 27.986 28.738 0.030 0.000 0.932 2173 Q HN 0.406 nan 8.270 nan 0.000 0.389 2174 A N -0.027 122.827 122.820 0.057 0.000 2.277 2174 A HA -0.107 4.213 4.320 -0.000 0.000 0.208 2174 A C 1.693 179.323 177.584 0.077 0.000 1.202 2174 A CA 1.131 53.204 52.037 0.060 0.000 0.762 2174 A CB -0.804 18.230 19.000 0.056 0.000 0.770 2174 A HN 0.604 nan 8.150 nan 0.000 0.487 2175 M N 0.303 119.965 119.600 0.103 0.000 2.066 2175 M HA -0.143 4.337 4.480 -0.000 0.000 0.259 2175 M C 2.107 178.458 176.300 0.086 0.000 1.074 2175 M CA 2.178 57.566 55.300 0.147 0.000 1.114 2175 M CB -0.474 32.254 32.600 0.213 0.000 1.306 2175 M HN 0.440 nan 8.290 nan 0.000 0.411 2176 R N 0.117 120.672 120.500 0.091 0.000 2.096 2176 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 2176 R C 2.274 178.507 176.300 -0.111 0.000 1.127 2176 R CA 1.661 57.711 56.100 -0.084 0.000 0.968 2176 R CB -0.493 29.861 30.300 0.090 0.000 0.861 2176 R HN 0.502 nan 8.270 nan 0.000 0.440 2177 K N 0.579 120.964 120.400 -0.025 0.000 2.097 2177 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 2177 K C 2.202 178.786 176.600 -0.027 0.000 1.050 2177 K CA 0.898 57.173 56.287 -0.020 0.000 0.938 2177 K CB -0.120 32.386 32.500 0.010 0.000 0.718 2177 K HN 0.212 nan 8.250 nan 0.000 0.442 2178 L N 0.612 121.828 121.223 -0.012 0.000 2.156 2178 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 2178 L C 2.267 179.114 176.870 -0.039 0.000 1.095 2178 L CA 1.176 56.013 54.840 -0.005 0.000 0.770 2178 L CB -0.270 41.810 42.059 0.036 0.000 0.914 2178 L HN 0.167 nan 8.230 nan 0.000 0.439 2179 A N -0.067 122.697 122.820 -0.094 0.000 1.884 2179 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 2179 A C 2.287 179.807 177.584 -0.107 0.000 1.197 2179 A CA 2.068 54.014 52.037 -0.152 0.000 0.637 2179 A CB -1.577 17.187 19.000 -0.393 0.000 0.827 2179 A HN 0.511 nan 8.150 nan 0.000 0.450 2180 G N -0.551 108.188 108.800 -0.100 0.000 2.404 2180 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.215 2180 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.215 2180 G C 1.330 176.207 174.900 -0.038 0.000 1.174 2180 G CA 0.918 45.980 45.100 -0.063 0.000 0.780 2180 G HN 0.721 nan 8.290 nan 0.000 0.537 2181 N N 0.193 118.875 118.700 -0.030 0.000 2.417 2181 N HA -0.062 4.678 4.740 -0.000 0.000 0.187 2181 N C 1.938 177.437 175.510 -0.017 0.000 1.027 2181 N CA 0.383 53.423 53.050 -0.017 0.000 0.891 2181 N CB -0.124 38.358 38.487 -0.008 0.000 0.956 2181 N HN 0.319 nan 8.380 nan 0.000 0.442 2182 L N 0.146 121.354 121.223 -0.024 0.000 2.249 2182 L HA 0.031 4.371 4.340 -0.000 0.000 0.207 2182 L C 2.006 178.865 176.870 -0.019 0.000 1.090 2182 L CA 0.666 55.492 54.840 -0.024 0.000 0.802 2182 L CB -0.122 41.919 42.059 -0.031 0.000 0.947 2182 L HN -0.041 nan 8.230 nan 0.000 0.453 2183 K N 0.400 120.789 120.400 -0.019 0.000 2.209 2183 K HA -0.148 4.172 4.320 -0.000 0.000 0.204 2183 K C 1.506 178.101 176.600 -0.009 0.000 1.048 2183 K CA 1.098 57.377 56.287 -0.013 0.000 0.940 2183 K CB 0.022 32.514 32.500 -0.013 0.000 0.729 2183 K HN 0.313 nan 8.250 nan 0.000 0.451 2184 Q N -0.751 119.043 119.800 -0.010 0.000 2.228 2184 Q HA 0.147 4.487 4.340 -0.000 0.000 0.211 2184 Q C 0.184 176.182 176.000 -0.005 0.000 0.890 2184 Q CA 0.052 55.852 55.803 -0.006 0.000 0.953 2184 Q CB 0.869 29.604 28.738 -0.006 0.000 1.053 2184 Q HN 0.088 nan 8.270 nan 0.000 0.471 2185 S N -0.845 114.851 115.700 -0.007 0.000 2.560 2185 S HA 0.060 4.530 4.470 -0.000 0.000 0.281 2185 S C 0.334 174.930 174.600 -0.007 0.000 1.075 2185 S CA -0.356 57.841 58.200 -0.005 0.000 1.295 2185 S CB 0.526 63.722 63.200 -0.006 0.000 1.156 2185 S HN 0.302 nan 8.310 nan 0.000 0.627 2186 N N 1.556 120.251 118.700 -0.009 0.000 2.857 2186 N HA -0.130 4.610 4.740 -0.000 0.000 0.242 2186 N C -0.595 174.906 175.510 -0.015 0.000 0.983 2186 N CA 1.409 54.453 53.050 -0.010 0.000 0.934 2186 N CB -1.832 36.651 38.487 -0.007 0.000 1.115 2186 N HN 0.426 nan 8.380 nan 0.000 0.593 2187 T N 1.366 115.910 114.554 -0.017 0.000 2.734 2187 T HA 0.095 4.445 4.350 -0.000 0.000 0.269 2187 T C 0.582 175.261 174.700 -0.036 0.000 0.964 2187 T CA -0.223 61.863 62.100 -0.024 0.000 1.226 2187 T CB -0.065 68.789 68.868 -0.023 0.000 0.910 2187 T HN 0.222 nan 8.240 nan 0.000 0.534 2188 L N 6.043 127.244 121.223 -0.038 0.000 2.315 2188 L HA 0.531 4.871 4.340 -0.000 0.000 0.283 2188 L C -0.540 176.283 176.870 -0.079 0.000 1.089 2188 L CA -0.197 54.614 54.840 -0.049 0.000 0.833 2188 L CB 0.269 42.306 42.059 -0.037 0.000 1.170 2188 L HN 0.574 nan 8.230 nan 0.000 0.442 2189 L N 6.336 127.492 121.223 -0.112 0.000 2.322 2189 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 2189 L C -0.869 175.863 176.870 -0.229 0.000 1.014 2189 L CA -0.317 54.399 54.840 -0.207 0.000 0.815 2189 L CB 1.194 43.085 42.059 -0.280 0.000 1.247 2189 L HN 0.655 nan 8.230 nan 0.000 0.421 2190 I N 4.615 125.032 120.570 -0.255 0.000 2.378 2190 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 2190 I C -0.843 175.120 176.117 -0.257 0.000 0.992 2190 I CA -0.357 60.835 61.300 -0.180 0.000 1.154 2190 I CB 1.438 39.392 38.000 -0.077 0.000 1.315 2190 I HN 0.416 nan 8.210 nan 0.000 0.448 2191 F N 6.214 126.144 119.950 -0.032 0.000 2.440 2191 F HA 0.609 5.136 4.527 -0.000 0.000 0.328 2191 F C 0.192 175.979 175.800 -0.023 0.000 1.070 2191 F CA -0.702 57.278 58.000 -0.033 0.000 1.011 2191 F CB 1.383 40.366 39.000 -0.028 0.000 1.226 2191 F HN 0.118 nan 8.300 nan 0.000 0.491 2192 I N 2.104 122.811 120.570 0.230 0.000 2.499 2192 I HA 0.357 4.527 4.170 -0.000 0.000 0.288 2192 I C -0.660 175.521 176.117 0.107 0.000 1.048 2192 I CA -0.675 60.705 61.300 0.133 0.000 1.062 2192 I CB 1.854 39.909 38.000 0.090 0.000 1.238 2192 I HN 0.469 nan 8.210 nan 0.000 0.426 2193 N N 3.931 122.701 118.700 0.117 0.000 2.890 2193 N HA 0.591 5.331 4.740 -0.000 0.000 0.317 2193 N C -1.278 174.274 175.510 0.069 0.000 1.355 2193 N CA -0.485 52.616 53.050 0.085 0.000 0.803 2193 N CB 1.741 40.293 38.487 0.109 0.000 1.465 2193 N HN 0.587 nan 8.380 nan 0.000 0.591 2212 G N -0.832 107.912 108.800 -0.093 0.000 2.417 2212 G HA2 0.436 4.396 3.960 -0.000 0.000 0.334 2212 G HA3 0.436 4.396 3.960 -0.000 0.000 0.334 2212 G C 0.577 175.438 174.900 -0.065 0.000 1.150 2212 G CA -0.279 44.778 45.100 -0.071 0.000 0.923 2212 G HN 0.521 nan 8.290 nan 0.000 0.485 2213 N N 0.806 119.487 118.700 -0.031 0.000 2.272 2213 N HA -0.141 4.599 4.740 -0.000 0.000 0.185 2213 N C 2.418 177.936 175.510 0.014 0.000 1.014 2213 N CA 1.491 54.537 53.050 -0.008 0.000 0.870 2213 N CB -0.057 38.459 38.487 0.047 0.000 0.975 2213 N HN 0.536 nan 8.380 nan 0.000 0.433 2214 A N 0.498 123.327 122.820 0.016 0.000 1.877 2214 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 2214 A C 2.149 179.739 177.584 0.010 0.000 1.186 2214 A CA 1.184 53.242 52.037 0.035 0.000 0.620 2214 A CB -0.871 18.150 19.000 0.035 0.000 0.822 2214 A HN 0.338 nan 8.150 nan 0.000 0.443 2215 L N 0.258 121.454 121.223 -0.046 0.000 2.043 2215 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 2215 L C 2.234 179.052 176.870 -0.086 0.000 1.075 2215 L CA 2.689 57.495 54.840 -0.056 0.000 0.752 2215 L CB -0.776 41.182 42.059 -0.168 0.000 0.891 2215 L HN 0.494 nan 8.230 nan 0.000 0.432 2216 K N -1.778 118.497 120.400 -0.210 0.000 2.189 2216 K HA -0.255 4.065 4.320 -0.000 0.000 0.207 2216 K C 1.726 178.053 176.600 -0.455 0.000 1.046 2216 K CA 2.186 58.230 56.287 -0.405 0.000 0.928 2216 K CB -0.184 31.930 32.500 -0.644 0.000 0.720 2216 K HN 0.383 nan 8.250 nan 0.000 0.458 2217 F N -1.780 118.144 119.950 -0.043 0.000 2.399 2217 F HA 0.086 4.613 4.527 -0.000 0.000 0.282 2217 F C 1.778 177.580 175.800 0.002 0.000 1.027 2217 F CA 0.228 58.189 58.000 -0.064 0.000 1.333 2217 F CB -0.615 38.261 39.000 -0.206 0.000 1.132 2217 F HN -0.071 nan 8.300 nan 0.000 0.590 2218 Y N 0.822 121.245 120.300 0.205 0.000 2.483 2218 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 2218 Y C 1.512 177.463 175.900 0.085 0.000 1.143 2218 Y CA -0.288 57.890 58.100 0.130 0.000 1.289 2218 Y CB -0.394 38.135 38.460 0.115 0.000 0.983 2218 Y HN -0.047 nan 8.280 nan 0.000 0.556 2219 A N -0.071 122.865 122.820 0.194 0.000 2.498 2219 A HA 0.100 4.420 4.320 -0.000 0.000 0.239 2219 A C 1.100 178.721 177.584 0.061 0.000 1.068 2219 A CA 0.322 52.412 52.037 0.089 0.000 0.766 2219 A CB 0.301 19.294 19.000 -0.012 0.000 1.003 2219 A HN 0.312 nan 8.150 nan 0.000 0.497 2220 S N 0.296 116.017 115.700 0.035 0.000 2.483 2220 S HA 0.208 4.678 4.470 -0.000 0.000 0.221 2220 S C 0.268 174.851 174.600 -0.030 0.000 1.030 2220 S CA 0.339 58.552 58.200 0.022 0.000 0.925 2220 S CB 0.280 63.496 63.200 0.026 0.000 0.795 2220 S HN 0.540 nan 8.310 nan 0.000 0.511 2221 V N 2.507 122.385 119.914 -0.061 0.000 2.623 2221 V HA 0.446 4.566 4.120 -0.000 0.000 0.304 2221 V C -1.034 174.961 176.094 -0.165 0.000 1.054 2221 V CA -0.726 61.508 62.300 -0.110 0.000 0.882 2221 V CB 2.048 33.821 31.823 -0.084 0.000 1.002 2221 V HN 0.156 nan 8.190 nan 0.000 0.424 2222 R N 4.491 124.837 120.500 -0.257 0.000 2.439 2222 R HA 0.625 4.965 4.340 -0.000 0.000 0.310 2222 R C -1.635 174.441 176.300 -0.374 0.000 0.955 2222 R CA -0.885 54.998 56.100 -0.360 0.000 0.853 2222 R CB 2.089 32.093 30.300 -0.495 0.000 1.171 2222 R HN 0.350 nan 8.270 nan 0.000 0.449 2223 L N 2.132 123.137 121.223 -0.364 0.000 2.309 2223 L HA 0.307 4.647 4.340 -0.000 0.000 0.282 2223 L C -0.235 176.463 176.870 -0.286 0.000 1.036 2223 L CA -0.269 54.420 54.840 -0.251 0.000 0.806 2223 L CB 1.409 43.394 42.059 -0.124 0.000 1.220 2223 L HN 0.457 nan 8.230 nan 0.000 0.429 2224 D N 3.786 124.158 120.400 -0.046 0.000 2.464 2224 D HA 0.284 4.924 4.640 -0.000 0.000 0.243 2224 D C -0.767 175.649 176.300 0.193 0.000 1.104 2224 D CA -0.186 53.964 54.000 0.250 0.000 0.883 2224 D CB 0.732 41.739 40.800 0.345 0.000 1.050 2224 D HN 0.399 nan 8.370 nan 0.000 0.524 2225 I N 3.348 124.038 120.570 0.199 0.000 2.385 2225 I HA 0.469 4.639 4.170 -0.000 0.000 0.294 2225 I C -0.579 175.599 176.117 0.102 0.000 0.988 2225 I CA -0.539 60.844 61.300 0.140 0.000 1.265 2225 I CB 0.401 38.478 38.000 0.128 0.000 1.388 2225 I HN 0.217 nan 8.210 nan 0.000 0.480 2226 R N 6.402 126.941 120.500 0.064 0.000 2.725 2226 R HA 0.478 4.818 4.340 -0.000 0.000 0.277 2226 R C -1.111 175.190 176.300 0.001 0.000 0.987 2226 R CA -1.035 55.082 56.100 0.028 0.000 0.901 2226 R CB 1.971 32.287 30.300 0.027 0.000 1.207 2226 R HN 0.564 nan 8.270 nan 0.000 0.463 2227 R N 2.532 123.025 120.500 -0.012 0.000 2.312 2227 R HA 0.256 4.596 4.340 -0.000 0.000 0.311 2227 R C 0.553 176.845 176.300 -0.013 0.000 1.004 2227 R CA -0.170 55.915 56.100 -0.025 0.000 0.902 2227 R CB 0.785 31.071 30.300 -0.024 0.000 1.073 2227 R HN 0.853 nan 8.270 nan 0.000 0.457 2228 I N 0.962 121.523 120.570 -0.015 0.000 3.565 2228 I HA 0.457 4.627 4.170 -0.000 0.000 0.287 2228 I C 0.760 176.877 176.117 0.000 0.000 1.193 2228 I CA 0.270 61.569 61.300 -0.002 0.000 1.402 2228 I CB 0.602 38.606 38.000 0.006 0.000 1.284 2228 I HN 0.622 nan 8.210 nan 0.000 0.454 2229 G N 0.941 109.739 108.800 -0.003 0.000 2.851 2229 G HA2 0.793 4.753 3.960 -0.000 0.000 0.208 2229 G HA3 0.793 4.753 3.960 -0.000 0.000 0.208 2229 G C -0.547 174.355 174.900 0.004 0.000 1.894 2229 G CA -0.010 45.090 45.100 0.001 0.000 0.732 2229 G HN 0.866 nan 8.290 nan 0.000 0.802 2230 A N -2.254 120.566 122.820 0.001 0.000 2.613 2230 A HA 0.467 4.787 4.320 -0.000 0.000 0.303 2230 A C -1.792 175.783 177.584 -0.015 0.000 0.915 2230 A CA -0.273 51.764 52.037 0.001 0.000 0.654 2230 A CB 0.186 19.184 19.000 -0.003 0.000 1.280 2230 A HN 1.386 nan 8.150 nan 0.000 0.407 2231 V N 2.011 121.906 119.914 -0.031 0.000 2.444 2231 V HA 0.544 4.664 4.120 -0.000 0.000 0.294 2231 V C -0.057 175.995 176.094 -0.070 0.000 1.022 2231 V CA -0.533 61.743 62.300 -0.040 0.000 0.850 2231 V CB 1.727 33.535 31.823 -0.026 0.000 0.992 2231 V HN 0.773 nan 8.190 nan 0.000 0.426 2232 K N 3.324 123.690 120.400 -0.056 0.000 2.235 2232 K HA 0.477 4.797 4.320 -0.000 0.000 0.266 2232 K C -0.492 176.074 176.600 -0.057 0.000 0.980 2232 K CA -0.574 55.675 56.287 -0.063 0.000 0.849 2232 K CB 1.756 34.226 32.500 -0.050 0.000 1.098 2232 K HN 0.589 nan 8.250 nan 0.000 0.445 2233 E N 2.410 122.571 120.200 -0.064 0.000 1.993 2233 E HA 0.117 4.467 4.350 -0.000 0.000 0.271 2233 E C 0.703 177.275 176.600 -0.046 0.000 1.008 2233 E CA -0.041 56.327 56.400 -0.053 0.000 0.814 2233 E CB 1.230 30.897 29.700 -0.055 0.000 1.098 2233 E HN 0.956 nan 8.360 nan 0.000 0.407 2234 G N 4.237 113.013 108.800 -0.040 0.000 5.206 2234 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.328 2234 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.328 2234 G C 0.438 175.317 174.900 -0.035 0.000 1.382 2234 G CA 0.467 45.546 45.100 -0.035 0.000 0.994 2234 G HN 0.501 nan 8.290 nan 0.000 0.800 2235 E N 1.621 121.799 120.200 -0.037 0.000 2.934 2235 E HA 0.345 4.695 4.350 -0.000 0.000 0.343 2235 E C -1.301 175.272 176.600 -0.044 0.000 1.148 2235 E CA -0.191 56.186 56.400 -0.037 0.000 0.803 2235 E CB -0.356 29.327 29.700 -0.029 0.000 1.541 2235 E HN 0.571 nan 8.360 nan 0.000 0.380 2236 N N 1.522 120.186 118.700 -0.060 0.000 2.777 2236 N HA 0.062 4.802 4.740 -0.000 0.000 0.260 2236 N C -0.815 174.623 175.510 -0.119 0.000 1.113 2236 N CA -0.272 52.731 53.050 -0.078 0.000 0.996 2236 N CB 1.874 40.318 38.487 -0.072 0.000 1.584 2236 N HN -0.081 nan 8.380 nan 0.000 0.573 2237 V N 3.361 123.194 119.914 -0.136 0.000 2.415 2237 V HA 0.002 4.122 4.120 -0.000 0.000 0.252 2237 V C 1.047 176.887 176.094 -0.422 0.000 1.043 2237 V CA 0.383 62.562 62.300 -0.202 0.000 1.149 2237 V CB 0.459 32.200 31.823 -0.135 0.000 1.143 2237 V HN 0.531 nan 8.190 nan 0.000 0.478 2238 V N 4.016 123.680 119.914 -0.417 0.000 3.380 2238 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 2238 V C 0.849 176.611 176.094 -0.553 0.000 1.434 2238 V CA 0.918 62.864 62.300 -0.589 0.000 1.075 2238 V CB 0.381 32.044 31.823 -0.267 0.000 0.954 2238 V HN 0.867 nan 8.190 nan 0.000 0.444 2239 G N -0.866 107.730 108.800 -0.341 0.000 2.703 2239 G HA2 0.515 4.475 3.960 -0.000 0.000 0.294 2239 G HA3 0.515 4.475 3.960 -0.000 0.000 0.294 2239 G C -1.342 173.635 174.900 0.128 0.000 1.451 2239 G CA -0.315 44.807 45.100 0.038 0.000 0.869 2239 G HN 0.029 nan 8.290 nan 0.000 0.516 2240 S N 0.076 115.886 115.700 0.184 0.000 2.456 2240 S HA 0.427 4.897 4.470 -0.000 0.000 0.316 2240 S C -0.359 174.231 174.600 -0.018 0.000 1.089 2240 S CA -0.507 57.742 58.200 0.083 0.000 1.101 2240 S CB 1.757 65.002 63.200 0.075 0.000 0.995 2240 S HN 0.651 nan 8.310 nan 0.000 0.468 2241 E N 2.956 123.136 120.200 -0.032 0.000 2.129 2241 E HA 0.284 4.634 4.350 -0.000 0.000 0.283 2241 E C 0.109 176.641 176.600 -0.113 0.000 1.080 2241 E CA -0.205 56.152 56.400 -0.072 0.000 0.867 2241 E CB 0.332 30.014 29.700 -0.029 0.000 1.056 2241 E HN 0.626 nan 8.360 nan 0.000 0.404 2242 T N 2.151 116.559 114.554 -0.244 0.000 2.948 2242 T HA 0.574 4.924 4.350 -0.000 0.000 0.285 2242 T C -0.238 174.368 174.700 -0.157 0.000 1.019 2242 T CA -1.133 60.812 62.100 -0.259 0.000 1.013 2242 T CB 1.445 70.045 68.868 -0.447 0.000 1.117 2242 T HN 0.444 nan 8.240 nan 0.000 0.533 2243 R N 0.639 121.127 120.500 -0.020 0.000 2.515 2243 R HA 0.586 4.926 4.340 -0.000 0.000 0.291 2243 R C -2.223 174.170 176.300 0.156 0.000 1.046 2243 R CA -0.636 55.525 56.100 0.101 0.000 0.914 2243 R CB 1.710 32.054 30.300 0.074 0.000 1.191 2243 R HN 0.565 nan 8.270 nan 0.000 0.435 2244 V N 4.764 124.820 119.914 0.236 0.000 2.417 2244 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 2244 V C -0.318 175.843 176.094 0.111 0.000 1.024 2244 V CA -0.629 61.783 62.300 0.186 0.000 0.861 2244 V CB 1.729 33.688 31.823 0.226 0.000 0.985 2244 V HN 0.656 nan 8.190 nan 0.000 0.436 2245 K N 3.774 124.224 120.400 0.083 0.000 2.358 2245 K HA 0.566 4.886 4.320 -0.000 0.000 0.260 2245 K C -1.054 175.539 176.600 -0.012 0.000 0.956 2245 K CA -0.587 55.734 56.287 0.056 0.000 0.834 2245 K CB 1.855 34.408 32.500 0.089 0.000 1.102 2245 K HN 0.488 nan 8.250 nan 0.000 0.431 2246 V N 6.201 126.085 119.914 -0.050 0.000 2.352 2246 V HA 0.004 4.124 4.120 -0.000 0.000 0.253 2246 V C 1.188 177.136 176.094 -0.243 0.000 1.083 2246 V CA -0.224 61.997 62.300 -0.132 0.000 0.993 2246 V CB 0.376 32.134 31.823 -0.108 0.000 1.111 2246 V HN 0.703 nan 8.190 nan 0.000 0.490 2247 V N 1.558 121.301 119.914 -0.285 0.000 3.052 2247 V HA 0.239 4.359 4.120 -0.000 0.000 0.254 2247 V C 0.836 176.587 176.094 -0.572 0.000 1.100 2247 V CA 0.614 62.668 62.300 -0.410 0.000 1.112 2247 V CB -0.369 31.362 31.823 -0.154 0.000 0.738 2247 V HN 0.662 nan 8.190 nan 0.000 0.469 2248 K N 1.599 121.713 120.400 -0.477 0.000 2.426 2248 K HA 0.483 4.803 4.320 -0.000 0.000 0.254 2248 K C -1.446 174.996 176.600 -0.264 0.000 0.936 2248 K CA -0.488 55.537 56.287 -0.436 0.000 0.801 2248 K CB 1.361 33.440 32.500 -0.702 0.000 1.139 2248 K HN 0.254 nan 8.250 nan 0.000 0.424 2249 N N 3.817 122.425 118.700 -0.155 0.000 2.653 2249 N HA 0.156 4.896 4.740 -0.000 0.000 0.261 2249 N C -1.397 174.111 175.510 -0.003 0.000 1.216 2249 N CA -0.370 52.633 53.050 -0.078 0.000 0.784 2249 N CB 0.993 39.435 38.487 -0.075 0.000 1.327 2249 N HN 0.520 nan 8.380 nan 0.000 0.539 2250 K N 2.943 123.349 120.400 0.009 0.000 2.994 2250 K HA 0.275 4.595 4.320 -0.000 0.000 0.231 2250 K C 0.270 176.890 176.600 0.033 0.000 1.174 2250 K CA -0.032 56.281 56.287 0.044 0.000 1.221 2250 K CB 0.389 32.928 32.500 0.065 0.000 1.166 2250 K HN 0.427 nan 8.250 nan 0.000 0.453 2251 I N -0.898 119.683 120.570 0.019 0.000 4.607 2251 I HA 0.170 4.340 4.170 -0.000 0.000 0.324 2251 I C 0.199 176.327 176.117 0.019 0.000 1.279 2251 I CA 0.113 61.422 61.300 0.015 0.000 1.286 2251 I CB 1.037 39.037 38.000 -0.000 0.000 1.265 2251 I HN 0.149 nan 8.210 nan 0.000 0.446 2252 A N -0.082 122.751 122.820 0.022 0.000 5.450 2252 A HA 0.830 5.150 4.320 -0.000 0.000 0.198 2252 A C -0.933 176.678 177.584 0.044 0.000 0.883 2252 A CA 0.013 52.068 52.037 0.029 0.000 0.784 2252 A CB -0.571 18.439 19.000 0.017 0.000 2.043 2252 A HN 0.094 nan 8.150 nan 0.000 0.994 2253 A N 1.469 124.316 122.820 0.046 0.000 2.451 2253 A HA 0.616 4.936 4.320 -0.000 0.000 0.266 2253 A C -2.521 175.109 177.584 0.076 0.000 1.119 2253 A CA -0.917 51.164 52.037 0.072 0.000 0.786 2253 A CB -0.714 18.326 19.000 0.065 0.000 1.061 2253 A HN 0.351 nan 8.150 nan 0.000 0.503 2254 P HA 0.647 nan 4.420 nan 0.000 0.285 2254 P C -0.051 177.401 177.300 0.253 0.000 1.269 2254 P CA -0.435 62.707 63.100 0.070 0.000 0.844 2254 P CB 0.348 32.083 31.700 0.058 0.000 1.094 2255 F N -3.205 116.774 119.950 0.049 0.000 2.397 2255 F HA -0.206 4.321 4.527 -0.000 0.000 0.438 2255 F C 0.671 176.491 175.800 0.035 0.000 0.555 2255 F CA 0.726 58.755 58.000 0.049 0.000 1.561 2255 F CB -1.624 37.405 39.000 0.049 0.000 2.188 2255 F HN 0.227 nan 8.300 nan 0.000 0.267 2256 K N 2.080 122.566 120.400 0.144 0.000 2.258 2256 K HA 0.419 4.739 4.320 -0.000 0.000 0.264 2256 K C 0.380 177.017 176.600 0.062 0.000 1.007 2256 K CA -0.061 56.281 56.287 0.092 0.000 0.941 2256 K CB 0.863 33.399 32.500 0.061 0.000 0.966 2256 K HN 0.428 nan 8.250 nan 0.000 0.480 2257 Q N -0.219 119.618 119.800 0.062 0.000 2.484 2257 Q HA 0.769 5.109 4.340 -0.000 0.000 0.285 2257 Q C -1.726 174.307 176.000 0.054 0.000 1.097 2257 Q CA -1.299 54.541 55.803 0.061 0.000 0.802 2257 Q CB 2.205 30.993 28.738 0.083 0.000 1.444 2257 Q HN 0.538 nan 8.270 nan 0.000 0.429 2258 A N 1.291 124.155 122.820 0.073 0.000 2.465 2258 A HA 0.526 4.846 4.320 -0.000 0.000 0.292 2258 A C -1.516 176.184 177.584 0.194 0.000 1.041 2258 A CA -0.697 51.386 52.037 0.078 0.000 0.718 2258 A CB 1.691 20.685 19.000 -0.010 0.000 1.266 2258 A HN 0.734 nan 8.150 nan 0.000 0.403 2259 E N 1.058 121.386 120.200 0.212 0.000 2.183 2259 E HA 0.764 5.114 4.350 -0.000 0.000 0.271 2259 E C -0.949 175.888 176.600 0.396 0.000 0.919 2259 E CA -0.470 56.096 56.400 0.277 0.000 0.781 2259 E CB 2.043 31.829 29.700 0.144 0.000 1.140 2259 E HN 0.678 nan 8.360 nan 0.000 0.402 2260 F N -1.358 118.610 119.950 0.030 0.000 2.817 2260 F HA 0.403 4.930 4.527 -0.000 0.000 0.317 2260 F C -1.227 174.601 175.800 0.047 0.000 1.168 2260 F CA -1.310 56.709 58.000 0.032 0.000 0.911 2260 F CB 1.184 40.193 39.000 0.015 0.000 1.337 2260 F HN 0.159 nan 8.300 nan 0.000 0.464 2261 Q N 1.647 121.468 119.800 0.035 0.000 2.230 2261 Q HA 0.648 4.988 4.340 -0.000 0.000 0.253 2261 Q C -1.192 174.785 176.000 -0.040 0.000 0.919 2261 Q CA -0.848 54.929 55.803 -0.043 0.000 0.908 2261 Q CB 2.795 31.568 28.738 0.058 0.000 1.245 2261 Q HN 0.567 nan 8.270 nan 0.000 0.437 2262 I N 2.978 123.513 120.570 -0.059 0.000 2.406 2262 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 2262 I C -1.072 175.137 176.117 0.153 0.000 0.999 2262 I CA -0.771 60.559 61.300 0.051 0.000 1.124 2262 I CB 1.271 39.273 38.000 0.003 0.000 1.289 2262 I HN 0.289 nan 8.210 nan 0.000 0.441 2263 L N 6.871 128.213 121.223 0.198 0.000 2.313 2263 L HA 0.389 4.729 4.340 -0.000 0.000 0.283 2263 L C -0.573 176.518 176.870 0.368 0.000 1.013 2263 L CA -0.244 54.751 54.840 0.258 0.000 0.816 2263 L CB 0.922 43.077 42.059 0.160 0.000 1.236 2263 L HN 0.316 nan 8.230 nan 0.000 0.419 2264 Y N 3.632 124.001 120.300 0.115 0.000 2.852 2264 Y HA 0.142 4.692 4.550 -0.000 0.000 0.343 2264 Y C 1.594 177.602 175.900 0.180 0.000 1.280 2264 Y CA 0.589 58.788 58.100 0.164 0.000 1.604 2264 Y CB 0.178 38.688 38.460 0.084 0.000 1.216 2264 Y HN 0.887 nan 8.280 nan 0.000 0.541 2265 G N 2.695 111.749 108.800 0.423 0.000 2.143 2265 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.248 2265 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.248 2265 G C 0.402 175.313 174.900 0.019 0.000 0.991 2265 G CA 0.562 45.774 45.100 0.187 0.000 0.689 2265 G HN 0.733 nan 8.290 nan 0.000 0.522 2266 E N -1.786 118.419 120.200 0.008 0.000 2.614 2266 E HA 0.411 4.761 4.350 -0.000 0.000 0.201 2266 E C 1.352 177.933 176.600 -0.032 0.000 0.889 2266 E CA 0.953 57.340 56.400 -0.020 0.000 1.564 2266 E CB 0.471 30.199 29.700 0.046 0.000 1.623 2266 E HN 1.758 nan 8.360 nan 0.000 0.898 2267 G N 1.479 110.299 108.800 0.033 0.000 2.545 2267 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.216 2267 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.216 2267 G C -0.226 174.769 174.900 0.158 0.000 1.314 2267 G CA -0.325 44.825 45.100 0.083 0.000 0.906 2267 G HN 0.174 nan 8.290 nan 0.000 0.563 2268 I N 1.172 121.858 120.570 0.194 0.000 2.845 2268 I HA -0.058 4.112 4.170 -0.000 0.000 0.296 2268 I C 0.727 176.998 176.117 0.257 0.000 1.216 2268 I CA 0.256 61.723 61.300 0.279 0.000 1.438 2268 I CB 0.293 38.473 38.000 0.299 0.000 1.342 2268 I HN 0.470 nan 8.210 nan 0.000 0.577 2269 N N 6.482 125.351 118.700 0.282 0.000 2.868 2269 N HA 0.075 4.815 4.740 -0.000 0.000 0.252 2269 N C 0.618 176.303 175.510 0.292 0.000 1.130 2269 N CA -0.039 53.173 53.050 0.270 0.000 1.026 2269 N CB -0.078 38.541 38.487 0.220 0.000 1.335 2269 N HN 0.497 nan 8.380 nan 0.000 0.516 2270 F N 2.125 122.141 119.950 0.110 0.000 2.063 2270 F HA -0.358 4.169 4.527 -0.000 0.000 0.298 2270 F C 0.968 176.737 175.800 -0.052 0.000 1.105 2270 F CA 1.827 59.801 58.000 -0.043 0.000 1.215 2270 F CB -0.017 38.853 39.000 -0.216 0.000 0.972 2270 F HN 0.501 nan 8.300 nan 0.000 0.483 2271 Y N -0.315 120.214 120.300 0.381 0.000 2.314 2271 Y HA -0.027 4.523 4.550 -0.000 0.000 0.293 2271 Y C 2.608 178.609 175.900 0.168 0.000 1.129 2271 Y CA 0.909 59.166 58.100 0.262 0.000 1.201 2271 Y CB -1.225 37.328 38.460 0.155 0.000 0.999 2271 Y HN 0.116 nan 8.280 nan 0.000 0.541 2272 G N 0.698 109.681 108.800 0.305 0.000 2.446 2272 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 2272 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 2272 G C 1.380 176.373 174.900 0.156 0.000 1.168 2272 G CA 1.331 46.548 45.100 0.195 0.000 0.771 2272 G HN 0.603 nan 8.290 nan 0.000 0.551 2273 E N -0.111 120.171 120.200 0.137 0.000 2.285 2273 E HA 0.085 4.435 4.350 -0.000 0.000 0.194 2273 E C 2.293 178.931 176.600 0.064 0.000 0.997 2273 E CA 0.259 56.712 56.400 0.087 0.000 0.845 2273 E CB -0.256 29.467 29.700 0.038 0.000 0.782 2273 E HN 0.339 nan 8.360 nan 0.000 0.491 2274 L N 1.191 122.463 121.223 0.081 0.000 2.046 2274 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 2274 L C 2.271 179.223 176.870 0.137 0.000 1.077 2274 L CA 1.141 56.035 54.840 0.089 0.000 0.747 2274 L CB -0.163 41.984 42.059 0.147 0.000 0.896 2274 L HN 0.051 nan 8.230 nan 0.000 0.432 2275 V N -0.390 119.629 119.914 0.176 0.000 2.233 2275 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 2275 V C 2.284 178.497 176.094 0.199 0.000 1.050 2275 V CA 2.092 64.513 62.300 0.201 0.000 1.010 2275 V CB -0.757 31.174 31.823 0.181 0.000 0.637 2275 V HN 0.448 nan 8.190 nan 0.000 0.444 2276 D N -0.203 120.298 120.400 0.168 0.000 2.149 2276 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 2276 D C 1.982 178.350 176.300 0.113 0.000 1.001 2276 D CA 1.289 55.378 54.000 0.149 0.000 0.849 2276 D CB -0.192 40.679 40.800 0.120 0.000 0.939 2276 D HN 0.221 nan 8.370 nan 0.000 0.449 2277 L N 0.449 121.726 121.223 0.090 0.000 2.046 2277 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 2277 L C 2.544 179.461 176.870 0.079 0.000 1.077 2277 L CA 1.668 56.546 54.840 0.064 0.000 0.747 2277 L CB -1.215 40.864 42.059 0.034 0.000 0.896 2277 L HN 0.054 nan 8.230 nan 0.000 0.432 2278 G N -1.886 106.979 108.800 0.108 0.000 2.598 2278 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.215 2278 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.215 2278 G C 1.505 176.472 174.900 0.112 0.000 1.131 2278 G CA 0.796 45.969 45.100 0.122 0.000 0.785 2278 G HN 0.287 nan 8.290 nan 0.000 0.539 2279 V N 0.033 120.010 119.914 0.105 0.000 2.446 2279 V HA 0.059 4.179 4.120 -0.000 0.000 0.244 2279 V C 2.480 178.598 176.094 0.041 0.000 1.039 2279 V CA 1.419 63.756 62.300 0.061 0.000 1.045 2279 V CB -0.076 31.786 31.823 0.066 0.000 0.681 2279 V HN 0.259 nan 8.190 nan 0.000 0.459 2280 K N -0.303 120.128 120.400 0.051 0.000 2.418 2280 K HA -0.018 4.302 4.320 -0.000 0.000 0.195 2280 K C 1.116 177.737 176.600 0.035 0.000 1.035 2280 K CA 0.556 56.865 56.287 0.038 0.000 1.003 2280 K CB 0.271 32.795 32.500 0.040 0.000 0.793 2280 K HN 0.295 nan 8.250 nan 0.000 0.494 2281 E N 0.501 120.727 120.200 0.044 0.000 2.558 2281 E HA 0.051 4.401 4.350 -0.000 0.000 0.205 2281 E C -0.363 176.264 176.600 0.046 0.000 1.006 2281 E CA -0.015 56.410 56.400 0.042 0.000 0.961 2281 E CB 0.756 30.483 29.700 0.045 0.000 1.044 2281 E HN 0.086 nan 8.360 nan 0.000 0.465 2282 K N -0.337 120.088 120.400 0.042 0.000 3.349 2282 K HA -0.209 4.111 4.320 -0.000 0.000 0.310 2282 K C 1.072 177.700 176.600 0.046 0.000 1.267 2282 K CA 0.524 56.830 56.287 0.031 0.000 0.920 2282 K CB -2.140 30.370 32.500 0.016 0.000 1.240 2282 K HN 0.221 nan 8.250 nan 0.000 0.453 2283 L N -0.039 121.236 121.223 0.087 0.000 2.179 2283 L HA 0.123 4.463 4.340 -0.000 0.000 0.208 2283 L C 1.148 178.134 176.870 0.194 0.000 1.096 2283 L CA 0.951 55.877 54.840 0.143 0.000 0.779 2283 L CB 0.085 42.264 42.059 0.200 0.000 0.922 2283 L HN 0.140 nan 8.230 nan 0.000 0.443 2284 I N -1.036 119.633 120.570 0.165 0.000 2.509 2284 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 2284 I C -0.586 175.553 176.117 0.038 0.000 1.020 2284 I CA -0.493 60.906 61.300 0.165 0.000 1.088 2284 I CB 1.992 40.126 38.000 0.222 0.000 1.267 2284 I HN -0.100 nan 8.210 nan 0.000 0.430 2285 E N 4.965 125.161 120.200 -0.007 0.000 2.133 2285 E HA 0.288 4.638 4.350 -0.000 0.000 0.274 2285 E C -0.791 175.712 176.600 -0.161 0.000 0.930 2285 E CA -0.830 55.529 56.400 -0.068 0.000 0.770 2285 E CB 1.803 31.476 29.700 -0.045 0.000 1.104 2285 E HN 0.308 nan 8.360 nan 0.000 0.403 2286 K N 2.217 122.490 120.400 -0.212 0.000 2.273 2286 K HA 0.305 4.625 4.320 -0.000 0.000 0.287 2286 K C -0.509 176.020 176.600 -0.118 0.000 1.089 2286 K CA -0.210 55.899 56.287 -0.297 0.000 0.909 2286 K CB 0.512 32.836 32.500 -0.293 0.000 1.123 2286 K HN 0.572 nan 8.250 nan 0.000 0.473 2287 A N 4.175 126.972 122.820 -0.039 0.000 3.258 2287 A HA 0.365 4.685 4.320 -0.000 0.000 0.275 2287 A C 1.035 178.684 177.584 0.108 0.000 1.452 2287 A CA 0.257 52.322 52.037 0.046 0.000 1.120 2287 A CB -0.621 18.421 19.000 0.070 0.000 1.107 2287 A HN 1.100 nan 8.150 nan 0.000 0.651 2288 G N 0.290 109.120 108.800 0.049 0.000 5.155 2288 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.239 2288 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.239 2288 G C 1.338 176.284 174.900 0.076 0.000 1.409 2288 G CA 0.807 45.946 45.100 0.065 0.000 0.927 2288 G HN 1.755 nan 8.290 nan 0.000 0.710 2289 A N -1.057 121.838 122.820 0.124 0.000 2.358 2289 A HA 0.575 4.895 4.320 -0.000 0.000 0.223 2289 A C 0.523 178.147 177.584 0.067 0.000 1.218 2289 A CA 0.504 52.580 52.037 0.065 0.000 0.942 2289 A CB 0.198 19.174 19.000 -0.039 0.000 1.005 2289 A HN 0.559 nan 8.150 nan 0.000 0.514 2290 W N -1.064 120.288 121.300 0.087 0.000 2.376 2290 W HA 0.580 5.240 4.660 -0.000 0.000 0.322 2290 W C -0.790 175.773 176.519 0.073 0.000 1.160 2290 W CA -0.010 57.400 57.345 0.109 0.000 1.218 2290 W CB 0.552 30.028 29.460 0.026 0.000 1.205 2290 W HN 0.172 nan 8.180 nan 0.000 0.559 2291 Y N 2.250 122.673 120.300 0.205 0.000 2.388 2291 Y HA 0.389 4.939 4.550 -0.000 0.000 0.328 2291 Y C 0.070 176.016 175.900 0.077 0.000 0.963 2291 Y CA -0.737 57.425 58.100 0.103 0.000 1.240 2291 Y CB 1.126 39.606 38.460 0.033 0.000 1.118 2291 Y HN 0.134 nan 8.280 nan 0.000 0.484 2292 S N 2.927 118.698 115.700 0.118 0.000 2.472 2292 S HA 0.290 4.760 4.470 -0.000 0.000 0.303 2292 S C -1.412 173.255 174.600 0.111 0.000 1.099 2292 S CA -0.693 57.550 58.200 0.072 0.000 1.077 2292 S CB 0.967 64.177 63.200 0.016 0.000 1.031 2292 S HN 0.500 nan 8.310 nan 0.000 0.487 2293 Y N 3.216 123.495 120.300 -0.036 0.000 2.944 2293 Y HA 0.378 4.928 4.550 -0.000 0.000 0.335 2293 Y C -0.257 175.650 175.900 0.012 0.000 1.075 2293 Y CA -0.820 57.283 58.100 0.006 0.000 1.240 2293 Y CB -0.412 38.067 38.460 0.032 0.000 1.167 2293 Y HN 0.782 nan 8.280 nan 0.000 0.555 2294 K N 4.014 124.222 120.400 -0.320 0.000 5.617 2294 K HA -0.224 4.096 4.320 -0.000 0.000 0.401 2294 K C 1.064 177.564 176.600 -0.166 0.000 0.978 2294 K CA 1.066 57.174 56.287 -0.298 0.000 1.200 2294 K CB -1.132 31.097 32.500 -0.452 0.000 1.863 2294 K HN 1.165 nan 8.250 nan 0.000 0.382 2295 G N 1.453 110.192 108.800 -0.101 0.000 3.444 2295 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.222 2295 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.222 2295 G C -0.044 174.829 174.900 -0.045 0.000 1.358 2295 G CA 0.320 45.381 45.100 -0.065 0.000 0.880 2295 G HN 0.549 nan 8.290 nan 0.000 0.555 2296 E N 2.246 122.435 120.200 -0.019 0.000 2.417 2296 E HA 0.247 4.597 4.350 -0.000 0.000 0.261 2296 E C 0.054 176.640 176.600 -0.024 0.000 1.000 2296 E CA 0.388 56.792 56.400 0.007 0.000 0.919 2296 E CB 0.390 30.142 29.700 0.087 0.000 0.955 2296 E HN 0.450 nan 8.360 nan 0.000 0.455 2297 K N 3.829 124.203 120.400 -0.042 0.000 2.253 2297 K HA 0.200 4.520 4.320 -0.000 0.000 0.277 2297 K C 1.057 177.586 176.600 -0.118 0.000 1.053 2297 K CA -0.110 56.166 56.287 -0.019 0.000 0.892 2297 K CB 0.627 33.132 32.500 0.008 0.000 1.102 2297 K HN 0.506 nan 8.250 nan 0.000 0.469 2298 I N -1.553 118.874 120.570 -0.239 0.000 4.057 2298 I HA 0.332 4.502 4.170 -0.000 0.000 0.334 2298 I C 0.502 176.326 176.117 -0.489 0.000 1.308 2298 I CA -0.289 60.560 61.300 -0.752 0.000 1.125 2298 I CB 0.921 38.125 38.000 -1.327 0.000 1.034 2298 I HN 0.526 nan 8.210 nan 0.000 0.401 2299 G N 0.990 109.727 108.800 -0.105 0.000 2.387 2299 G HA2 0.378 4.338 3.960 -0.000 0.000 0.294 2299 G HA3 0.378 4.338 3.960 -0.000 0.000 0.294 2299 G C -2.194 172.660 174.900 -0.076 0.000 1.509 2299 G CA -0.614 44.437 45.100 -0.082 0.000 0.806 2299 G HN 0.219 nan 8.290 nan 0.000 0.546 2300 Q N -0.015 119.621 119.800 -0.273 0.000 2.290 2300 Q HA 0.553 4.893 4.340 -0.000 0.000 0.269 2300 Q C -0.034 175.770 176.000 -0.327 0.000 1.016 2300 Q CA 0.142 55.651 55.803 -0.490 0.000 0.754 2300 Q CB 1.581 29.761 28.738 -0.931 0.000 1.247 2300 Q HN 2.461 nan 8.270 nan 0.000 0.451 2301 G N 3.556 112.214 108.800 -0.237 0.000 3.285 2301 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.685 2301 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.685 2301 G C 0.221 174.933 174.900 -0.313 0.000 0.938 2301 G CA 0.128 45.112 45.100 -0.193 0.000 0.778 2301 G HN 0.844 nan 8.290 nan 0.000 0.515 2302 K N 1.693 121.893 120.400 -0.332 0.000 2.117 2302 K HA -0.269 4.051 4.320 -0.000 0.000 0.215 2302 K C 2.901 179.318 176.600 -0.306 0.000 1.053 2302 K CA 3.060 59.078 56.287 -0.449 0.000 0.935 2302 K CB -0.328 32.071 32.500 -0.167 0.000 0.719 2302 K HN 1.348 nan 8.250 nan 0.000 0.460 2303 A N 1.652 124.365 122.820 -0.178 0.000 1.842 2303 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 2303 A C 1.850 179.370 177.584 -0.106 0.000 1.206 2303 A CA 2.150 54.121 52.037 -0.110 0.000 0.630 2303 A CB -0.979 17.971 19.000 -0.082 0.000 0.839 2303 A HN 0.496 nan 8.150 nan 0.000 0.447 2304 N N 0.115 118.742 118.700 -0.122 0.000 2.348 2304 N HA -0.107 4.633 4.740 -0.000 0.000 0.185 2304 N C 1.682 177.161 175.510 -0.051 0.000 1.019 2304 N CA 1.395 54.397 53.050 -0.080 0.000 0.880 2304 N CB -0.456 37.972 38.487 -0.099 0.000 0.965 2304 N HN 0.549 nan 8.380 nan 0.000 0.437 2305 A N 0.186 122.921 122.820 -0.143 0.000 1.878 2305 A HA -0.015 4.305 4.320 -0.000 0.000 0.213 2305 A C 2.336 179.940 177.584 0.034 0.000 1.192 2305 A CA 1.401 53.379 52.037 -0.099 0.000 0.619 2305 A CB -0.908 17.877 19.000 -0.359 0.000 0.837 2305 A HN 0.217 nan 8.150 nan 0.000 0.446 2306 T N 1.036 115.570 114.554 -0.032 0.000 2.565 2306 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 2306 T C 1.830 176.566 174.700 0.060 0.000 1.082 2306 T CA 2.045 64.174 62.100 0.047 0.000 1.173 2306 T CB -0.611 68.271 68.868 0.023 0.000 0.864 2306 T HN 0.612 nan 8.240 nan 0.000 0.425 2307 A N -0.822 122.006 122.820 0.014 0.000 2.236 2307 A HA 0.125 4.445 4.320 -0.000 0.000 0.214 2307 A C 1.506 179.100 177.584 0.017 0.000 1.287 2307 A CA 0.220 52.232 52.037 -0.041 0.000 0.909 2307 A CB -1.052 17.919 19.000 -0.047 0.000 0.839 2307 A HN 0.773 nan 8.150 nan 0.000 0.486 2308 W N -0.773 120.469 121.300 -0.097 0.000 2.735 2308 W HA 0.180 4.840 4.660 -0.000 0.000 0.264 2308 W C 1.263 177.738 176.519 -0.072 0.000 1.233 2308 W CA 0.490 57.795 57.345 -0.068 0.000 1.408 2308 W CB 0.155 29.602 29.460 -0.022 0.000 1.038 2308 W HN 0.223 nan 8.180 nan 0.000 0.603 2309 L N 1.006 122.297 121.223 0.113 0.000 2.201 2309 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 2309 L C 2.314 179.013 176.870 -0.286 0.000 1.105 2309 L CA 1.215 56.061 54.840 0.010 0.000 0.775 2309 L CB -0.836 41.430 42.059 0.346 0.000 0.913 2309 L HN -0.077 nan 8.230 nan 0.000 0.440 2310 K N 0.208 120.265 120.400 -0.572 0.000 2.362 2310 K HA -0.182 4.138 4.320 -0.000 0.000 0.200 2310 K C 1.282 177.616 176.600 -0.442 0.000 1.046 2310 K CA 1.132 56.943 56.287 -0.793 0.000 0.952 2310 K CB 0.159 32.249 32.500 -0.683 0.000 0.753 2310 K HN 0.194 nan 8.250 nan 0.000 0.466 2311 D N 0.224 120.369 120.400 -0.425 0.000 2.277 2311 D HA -0.016 4.624 4.640 -0.000 0.000 0.209 2311 D C -0.312 175.739 176.300 -0.415 0.000 0.970 2311 D CA 0.537 54.300 54.000 -0.395 0.000 0.874 2311 D CB 0.359 40.903 40.800 -0.427 0.000 0.982 2311 D HN 0.265 nan 8.370 nan 0.000 0.504 2312 N N -0.124 118.256 118.700 -0.532 0.000 2.664 2312 N HA 0.202 4.942 4.740 -0.000 0.000 0.257 2312 N C -2.534 172.816 175.510 -0.266 0.000 1.108 2312 N CA -1.302 51.512 53.050 -0.393 0.000 0.822 2312 N CB 2.075 40.297 38.487 -0.441 0.000 1.199 2312 N HN -0.161 nan 8.380 nan 0.000 0.529 2313 P HA -0.070 nan 4.420 nan 0.000 0.236 2313 P C 1.015 178.279 177.300 -0.061 0.000 1.172 2313 P CA 0.681 63.749 63.100 -0.053 0.000 0.759 2313 P CB 0.362 32.040 31.700 -0.036 0.000 0.843 2314 E N -0.261 119.887 120.200 -0.086 0.000 2.007 2314 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 2314 E C 1.649 178.226 176.600 -0.039 0.000 0.999 2314 E CA 1.730 58.097 56.400 -0.055 0.000 0.811 2314 E CB -1.143 28.526 29.700 -0.052 0.000 0.762 2314 E HN 0.279 nan 8.360 nan 0.000 0.450 2315 T N 1.333 115.848 114.554 -0.064 0.000 2.995 2315 T HA 0.055 4.405 4.350 -0.000 0.000 0.269 2315 T C 1.915 176.579 174.700 -0.060 0.000 1.091 2315 T CA 0.868 62.927 62.100 -0.068 0.000 1.128 2315 T CB -0.062 68.736 68.868 -0.117 0.000 0.891 2315 T HN 0.215 nan 8.240 nan 0.000 0.492 2316 A N 2.716 125.519 122.820 -0.028 0.000 1.835 2316 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 2316 A C 2.226 179.819 177.584 0.014 0.000 1.199 2316 A CA 1.368 53.422 52.037 0.028 0.000 0.615 2316 A CB -0.536 18.518 19.000 0.089 0.000 0.838 2316 A HN 0.410 nan 8.150 nan 0.000 0.444 2317 K N -0.424 119.969 120.400 -0.012 0.000 2.362 2317 K HA -0.186 4.134 4.320 -0.000 0.000 0.202 2317 K C 1.959 178.570 176.600 0.018 0.000 1.045 2317 K CA 1.421 57.701 56.287 -0.010 0.000 0.936 2317 K CB -0.069 32.413 32.500 -0.030 0.000 0.747 2317 K HN 0.721 nan 8.250 nan 0.000 0.467 2318 E N 0.909 121.123 120.200 0.024 0.000 2.033 2318 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 2318 E C 1.906 178.545 176.600 0.064 0.000 0.979 2318 E CA 0.593 57.020 56.400 0.046 0.000 0.802 2318 E CB 0.126 29.862 29.700 0.060 0.000 0.763 2318 E HN 0.206 nan 8.360 nan 0.000 0.449 2319 I N 1.207 121.813 120.570 0.060 0.000 2.315 2319 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 2319 I C 2.572 178.736 176.117 0.079 0.000 1.117 2319 I CA 0.834 62.184 61.300 0.084 0.000 1.404 2319 I CB -0.330 37.717 38.000 0.078 0.000 1.071 2319 I HN 0.245 nan 8.210 nan 0.000 0.419 2320 E N 1.766 122.014 120.200 0.078 0.000 2.068 2320 E HA -0.359 3.991 4.350 -0.000 0.000 0.207 2320 E C 2.177 178.815 176.600 0.063 0.000 1.032 2320 E CA 2.086 58.541 56.400 0.093 0.000 0.839 2320 E CB -0.024 29.752 29.700 0.127 0.000 0.758 2320 E HN 0.346 nan 8.360 nan 0.000 0.457 2321 K N 0.264 120.698 120.400 0.056 0.000 2.057 2321 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 2321 K C 2.164 178.789 176.600 0.042 0.000 1.050 2321 K CA 1.386 57.699 56.287 0.043 0.000 0.935 2321 K CB 0.074 32.597 32.500 0.039 0.000 0.715 2321 K HN -0.008 nan 8.250 nan 0.000 0.439 2322 K N 0.063 120.495 120.400 0.054 0.000 2.360 2322 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 2322 K C 1.703 178.332 176.600 0.049 0.000 1.046 2322 K CA 0.918 57.239 56.287 0.057 0.000 0.945 2322 K CB 0.189 32.736 32.500 0.079 0.000 0.750 2322 K HN 0.038 nan 8.250 nan 0.000 0.464 2323 V N 0.557 120.498 119.914 0.045 0.000 2.599 2323 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 2323 V C 2.054 178.157 176.094 0.014 0.000 1.046 2323 V CA 0.977 63.296 62.300 0.031 0.000 1.065 2323 V CB -0.297 31.544 31.823 0.029 0.000 0.703 2323 V HN 0.223 nan 8.190 nan 0.000 0.464 2324 R N 0.336 120.842 120.500 0.011 0.000 2.103 2324 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 2324 R C 2.248 178.552 176.300 0.007 0.000 1.142 2324 R CA 1.921 58.022 56.100 0.002 0.000 0.960 2324 R CB -0.291 30.012 30.300 0.005 0.000 0.858 2324 R HN 0.595 nan 8.270 nan 0.000 0.439 2325 E N 0.342 120.552 120.200 0.016 0.000 2.150 2325 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 2325 E C 1.743 178.353 176.600 0.016 0.000 0.985 2325 E CA 0.799 57.209 56.400 0.017 0.000 0.814 2325 E CB 0.062 29.776 29.700 0.023 0.000 0.752 2325 E HN 0.275 nan 8.360 nan 0.000 0.466 2326 L N -0.142 121.092 121.223 0.018 0.000 2.509 2326 L HA 0.039 4.379 4.340 -0.000 0.000 0.222 2326 L C 1.583 178.460 176.870 0.012 0.000 1.123 2326 L CA 0.331 55.181 54.840 0.017 0.000 0.856 2326 L CB 0.436 42.509 42.059 0.023 0.000 0.985 2326 L HN 0.100 nan 8.230 nan 0.000 0.456 2327 L N -1.914 119.313 121.223 0.006 0.000 3.128 2327 L HA 0.213 4.553 4.340 -0.000 0.000 0.277 2327 L C -0.203 176.665 176.870 -0.003 0.000 1.171 2327 L CA -0.169 54.672 54.840 0.001 0.000 1.008 2327 L CB 0.935 42.992 42.059 -0.003 0.000 1.442 2327 L HN 0.021 nan 8.230 nan 0.000 0.584 3007 Q N 0.843 120.648 119.800 0.008 0.000 2.329 3007 Q HA 0.066 4.406 4.340 -0.000 0.000 0.208 3007 Q C 0.693 176.699 176.000 0.010 0.000 0.934 3007 Q CA 0.522 56.331 55.803 0.010 0.000 0.951 3007 Q CB 0.157 28.901 28.738 0.010 0.000 1.017 3007 Q HN 0.392 nan 8.270 nan 0.000 0.490 3008 K N -0.544 119.861 120.400 0.009 0.000 2.021 3008 K HA -0.043 4.277 4.320 -0.000 0.000 0.205 3008 K C 1.729 178.335 176.600 0.010 0.000 1.047 3008 K CA 1.096 57.389 56.287 0.008 0.000 0.943 3008 K CB -0.034 32.470 32.500 0.007 0.000 0.725 3008 K HN 0.238 nan 8.250 nan 0.000 0.439 3009 A N 0.971 123.797 122.820 0.010 0.000 2.014 3009 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 3009 A C 1.887 179.480 177.584 0.015 0.000 1.163 3009 A CA 0.849 52.893 52.037 0.011 0.000 0.652 3009 A CB -0.313 18.693 19.000 0.010 0.000 0.808 3009 A HN 0.360 nan 8.150 nan 0.000 0.449 3010 L N -0.516 120.716 121.223 0.015 0.000 2.051 3010 L HA 0.262 4.602 4.340 -0.000 0.000 0.202 3010 L C 2.438 179.320 176.870 0.020 0.000 1.097 3010 L CA 1.915 56.766 54.840 0.019 0.000 0.762 3010 L CB -0.814 41.255 42.059 0.018 0.000 0.913 3010 L HN 0.216 nan 8.230 nan 0.000 0.447 3011 A N -0.932 121.899 122.820 0.018 0.000 2.272 3011 A HA 0.144 4.464 4.320 -0.000 0.000 0.213 3011 A C 1.862 179.457 177.584 0.018 0.000 1.183 3011 A CA 1.542 53.590 52.037 0.018 0.000 0.719 3011 A CB -0.961 18.049 19.000 0.015 0.000 0.771 3011 A HN 0.637 nan 8.150 nan 0.000 0.484 3012 A N -1.142 121.688 122.820 0.017 0.000 2.016 3012 A HA 0.564 4.884 4.320 -0.000 0.000 0.202 3012 A C 2.218 179.814 177.584 0.020 0.000 1.632 3012 A CA 0.931 52.978 52.037 0.016 0.000 0.891 3012 A CB -0.946 18.062 19.000 0.012 0.000 1.103 3012 A HN 0.988 nan 8.150 nan 0.000 0.547 3013 A N 0.292 123.126 122.820 0.022 0.000 2.131 3013 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 3013 A C 1.992 179.599 177.584 0.038 0.000 1.158 3013 A CA 1.272 53.326 52.037 0.028 0.000 0.665 3013 A CB -0.767 18.249 19.000 0.028 0.000 0.795 3013 A HN 0.487 nan 8.150 nan 0.000 0.460 3014 L N -0.808 120.438 121.223 0.038 0.000 1.924 3014 L HA -0.190 4.150 4.340 -0.000 0.000 0.222 3014 L C 2.870 179.771 176.870 0.052 0.000 1.081 3014 L CA 1.527 56.395 54.840 0.047 0.000 0.780 3014 L CB -1.272 40.812 42.059 0.041 0.000 0.891 3014 L HN 0.442 nan 8.230 nan 0.000 0.434 3015 G N -1.248 107.576 108.800 0.041 0.000 2.499 3015 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.221 3015 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.221 3015 G C 1.474 176.396 174.900 0.037 0.000 1.109 3015 G CA 0.307 45.430 45.100 0.039 0.000 0.749 3015 G HN 0.367 nan 8.290 nan 0.000 0.568 3016 Q N -0.079 119.740 119.800 0.031 0.000 2.152 3016 Q HA -0.127 4.213 4.340 -0.000 0.000 0.206 3016 Q C 2.637 178.651 176.000 0.023 0.000 0.985 3016 Q CA 0.974 56.787 55.803 0.016 0.000 0.863 3016 Q CB -0.227 28.520 28.738 0.016 0.000 0.904 3016 Q HN 0.508 nan 8.270 nan 0.000 0.422 3017 I N 0.163 120.784 120.570 0.084 0.000 2.406 3017 I HA -0.120 4.050 4.170 -0.000 0.000 0.249 3017 I C 2.041 178.286 176.117 0.213 0.000 1.122 3017 I CA 0.803 62.217 61.300 0.189 0.000 1.431 3017 I CB -1.177 36.962 38.000 0.232 0.000 1.087 3017 I HN 0.201 nan 8.210 nan 0.000 0.424 3018 E N 1.161 121.440 120.200 0.131 0.000 2.077 3018 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 3018 E C 2.196 178.838 176.600 0.070 0.000 0.989 3018 E CA 1.206 57.673 56.400 0.112 0.000 0.800 3018 E CB 0.012 29.756 29.700 0.073 0.000 0.746 3018 E HN 0.374 nan 8.360 nan 0.000 0.452 3019 K N 0.648 121.060 120.400 0.021 0.000 2.057 3019 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 3019 K C 2.156 178.702 176.600 -0.089 0.000 1.050 3019 K CA 1.140 57.413 56.287 -0.023 0.000 0.935 3019 K CB 0.090 32.572 32.500 -0.031 0.000 0.715 3019 K HN 0.075 nan 8.250 nan 0.000 0.439 3020 Q N -1.096 118.589 119.800 -0.192 0.000 2.167 3020 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 3020 Q C 1.046 176.675 176.000 -0.618 0.000 0.970 3020 Q CA 1.448 56.954 55.803 -0.496 0.000 0.855 3020 Q CB 0.159 28.419 28.738 -0.796 0.000 0.911 3020 Q HN 0.230 nan 8.270 nan 0.000 0.438 3021 F N -1.638 118.322 119.950 0.017 0.000 2.294 3021 F HA 0.385 4.912 4.527 -0.000 0.000 0.241 3021 F C 0.973 176.785 175.800 0.020 0.000 1.009 3021 F CA 0.041 58.052 58.000 0.019 0.000 1.165 3021 F CB -0.150 38.865 39.000 0.024 0.000 1.445 3021 F HN -0.152 nan 8.300 nan 0.000 0.632 3022 G N 0.164 109.120 108.800 0.260 0.000 2.638 3022 G HA2 0.432 4.392 3.960 -0.000 0.000 0.302 3022 G HA3 0.432 4.392 3.960 -0.000 0.000 0.302 3022 G C -1.594 173.372 174.900 0.110 0.000 1.365 3022 G CA -0.748 44.435 45.100 0.140 0.000 0.987 3022 G HN 0.014 nan 8.290 nan 0.000 0.495 3023 K N 0.854 121.296 120.400 0.070 0.000 2.336 3023 K HA 0.444 4.764 4.320 -0.000 0.000 0.290 3023 K C 0.939 177.569 176.600 0.051 0.000 1.067 3023 K CA 1.037 57.357 56.287 0.054 0.000 0.962 3023 K CB 0.086 32.606 32.500 0.034 0.000 1.008 3023 K HN 1.310 nan 8.250 nan 0.000 0.467 3024 G N 2.656 111.492 108.800 0.059 0.000 2.288 3024 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.205 3024 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.205 3024 G C 0.047 174.981 174.900 0.057 0.000 1.071 3024 G CA 0.135 45.265 45.100 0.051 0.000 0.788 3024 G HN 0.624 nan 8.290 nan 0.000 0.491 3025 S N -0.924 114.821 115.700 0.075 0.000 2.651 3025 S HA 0.694 5.164 4.470 -0.000 0.000 0.246 3025 S C 0.225 174.869 174.600 0.074 0.000 1.039 3025 S CA 0.158 58.402 58.200 0.072 0.000 1.013 3025 S CB 0.579 63.822 63.200 0.071 0.000 0.861 3025 S HN 1.577 nan 8.310 nan 0.000 0.485 3026 I N 0.939 121.557 120.570 0.079 0.000 2.787 3026 I HA 0.643 4.813 4.170 -0.000 0.000 0.294 3026 I C -1.862 174.302 176.117 0.079 0.000 1.365 3026 I CA -1.079 60.272 61.300 0.084 0.000 1.029 3026 I CB 1.991 40.041 38.000 0.082 0.000 1.313 3026 I HN 0.417 nan 8.210 nan 0.000 0.431 3027 M N 4.554 124.206 119.600 0.086 0.000 2.895 3027 M HA 0.504 4.984 4.480 -0.000 0.000 0.271 3027 M C -1.721 174.627 176.300 0.079 0.000 1.174 3027 M CA -1.049 54.295 55.300 0.074 0.000 0.816 3027 M CB 1.766 34.403 32.600 0.062 0.000 1.647 3027 M HN 0.450 nan 8.290 nan 0.000 0.506 3028 R N 0.779 121.317 120.500 0.063 0.000 2.543 3028 R HA 0.376 4.716 4.340 -0.000 0.000 0.277 3028 R C 0.533 176.871 176.300 0.063 0.000 1.074 3028 R CA -0.217 55.918 56.100 0.058 0.000 1.076 3028 R CB 0.848 31.174 30.300 0.043 0.000 0.993 3028 R HN 0.663 nan 8.270 nan 0.000 0.459 3029 L N 1.192 122.456 121.223 0.067 0.000 2.418 3029 L HA 0.045 4.385 4.340 -0.000 0.000 0.218 3029 L C 1.575 178.480 176.870 0.060 0.000 1.125 3029 L CA 0.788 55.675 54.840 0.080 0.000 0.835 3029 L CB 0.125 42.238 42.059 0.090 0.000 0.953 3029 L HN 0.789 nan 8.230 nan 0.000 0.454 3030 G N -0.047 108.779 108.800 0.043 0.000 3.943 3030 G HA2 0.150 4.110 3.960 -0.000 0.000 0.275 3030 G HA3 0.150 4.110 3.960 -0.000 0.000 0.275 3030 G C -0.062 174.857 174.900 0.031 0.000 1.234 3030 G CA -0.211 44.909 45.100 0.034 0.000 1.522 3030 G HN -0.050 nan 8.290 nan 0.000 0.636 3031 E N 0.222 120.442 120.200 0.033 0.000 2.171 3031 E HA 0.193 4.543 4.350 -0.000 0.000 0.271 3031 E C -0.116 176.499 176.600 0.024 0.000 0.916 3031 E CA -0.491 55.926 56.400 0.028 0.000 0.774 3031 E CB 2.065 31.784 29.700 0.031 0.000 1.128 3031 E HN 0.115 nan 8.360 nan 0.000 0.403 3032 D N 1.444 121.856 120.400 0.020 0.000 2.117 3032 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 3032 D C 0.327 176.635 176.300 0.014 0.000 0.982 3032 D CA 0.819 54.829 54.000 0.016 0.000 0.828 3032 D CB 0.068 40.877 40.800 0.015 0.000 0.967 3032 D HN 0.093 nan 8.370 nan 0.000 0.464 3033 R N 1.529 122.038 120.500 0.016 0.000 3.253 3033 R HA 0.017 4.357 4.340 -0.000 0.000 0.319 3033 R C 0.053 176.361 176.300 0.012 0.000 1.047 3033 R CA 0.000 56.109 56.100 0.015 0.000 0.970 3033 R CB -0.557 29.753 30.300 0.018 0.000 1.000 3033 R HN 0.222 nan 8.270 nan 0.000 0.423 3034 S N 2.334 118.039 115.700 0.008 0.000 2.713 3034 S HA 0.570 5.040 4.470 -0.000 0.000 0.283 3034 S C 0.383 174.985 174.600 0.003 0.000 1.161 3034 S CA -0.974 57.228 58.200 0.003 0.000 0.999 3034 S CB 1.701 64.900 63.200 -0.001 0.000 1.039 3034 S HN 0.319 nan 8.310 nan 0.000 0.548 3035 M N 0.491 120.091 119.600 0.000 0.000 2.799 3035 M HA 0.483 4.963 4.480 -0.000 0.000 0.274 3035 M C -1.151 175.148 176.300 -0.003 0.000 1.137 3035 M CA -0.821 54.480 55.300 0.001 0.000 0.897 3035 M CB 0.426 33.028 32.600 0.002 0.000 1.567 3035 M HN 0.473 nan 8.290 nan 0.000 0.536 3036 D N 1.134 121.532 120.400 -0.003 0.000 2.396 3036 D HA 0.527 5.167 4.640 -0.000 0.000 0.225 3036 D C -1.303 174.992 176.300 -0.008 0.000 1.121 3036 D CA 0.175 54.172 54.000 -0.005 0.000 0.853 3036 D CB 0.878 41.675 40.800 -0.004 0.000 1.043 3036 D HN 0.238 nan 8.370 nan 0.000 0.500 3037 V N 1.351 121.258 119.914 -0.012 0.000 3.087 3037 V HA 0.273 4.393 4.120 -0.000 0.000 0.306 3037 V C 0.135 176.219 176.094 -0.018 0.000 1.187 3037 V CA -1.179 61.112 62.300 -0.014 0.000 0.999 3037 V CB 2.237 34.050 31.823 -0.016 0.000 1.049 3037 V HN 0.319 nan 8.190 nan 0.000 0.431 3038 E N 2.260 122.449 120.200 -0.019 0.000 2.493 3038 E HA 0.236 4.586 4.350 -0.000 0.000 0.255 3038 E C -0.327 176.257 176.600 -0.027 0.000 0.999 3038 E CA 0.270 56.657 56.400 -0.023 0.000 0.934 3038 E CB 0.724 30.411 29.700 -0.022 0.000 0.940 3038 E HN 0.841 nan 8.360 nan 0.000 0.473 3039 T N 1.547 116.082 114.554 -0.031 0.000 2.815 3039 T HA 0.397 4.747 4.350 -0.000 0.000 0.289 3039 T C 0.107 174.779 174.700 -0.047 0.000 1.000 3039 T CA -0.974 61.103 62.100 -0.038 0.000 0.958 3039 T CB 0.667 69.512 68.868 -0.037 0.000 0.944 3039 T HN 0.126 nan 8.240 nan 0.000 0.442 3040 I N 2.424 122.963 120.570 -0.052 0.000 2.519 3040 I HA 0.274 4.444 4.170 -0.000 0.000 0.287 3040 I C 1.141 177.211 176.117 -0.079 0.000 1.047 3040 I CA -0.447 60.815 61.300 -0.063 0.000 1.381 3040 I CB 1.100 39.063 38.000 -0.062 0.000 1.417 3040 I HN 0.720 nan 8.210 nan 0.000 0.540 3041 S N 2.803 118.445 115.700 -0.098 0.000 2.562 3041 S HA 0.087 4.557 4.470 -0.000 0.000 0.281 3041 S C 1.409 175.927 174.600 -0.137 0.000 1.333 3041 S CA -0.118 58.006 58.200 -0.126 0.000 1.052 3041 S CB 0.417 63.521 63.200 -0.160 0.000 0.884 3041 S HN 0.809 nan 8.310 nan 0.000 0.506 3042 T N 1.615 116.081 114.554 -0.146 0.000 3.088 3042 T HA 0.312 4.662 4.350 -0.000 0.000 0.259 3042 T C 1.447 176.035 174.700 -0.186 0.000 1.122 3042 T CA 0.853 62.869 62.100 -0.140 0.000 1.095 3042 T CB -0.226 68.570 68.868 -0.120 0.000 0.930 3042 T HN 1.255 nan 8.240 nan 0.000 0.508 3043 G N 0.878 109.532 108.800 -0.244 0.000 2.397 3043 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.211 3043 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.211 3043 G C 0.551 175.204 174.900 -0.411 0.000 1.077 3043 G CA 0.422 45.338 45.100 -0.307 0.000 0.649 3043 G HN 0.992 nan 8.290 nan 0.000 0.511 3044 S N -0.357 115.073 115.700 -0.451 0.000 2.625 3044 S HA 0.666 5.136 4.470 -0.000 0.000 0.258 3044 S C 1.223 175.605 174.600 -0.363 0.000 1.256 3044 S CA 0.599 58.456 58.200 -0.572 0.000 0.983 3044 S CB 1.050 63.823 63.200 -0.713 0.000 1.032 3044 S HN 0.773 nan 8.310 nan 0.000 0.572 3045 L N 0.396 121.455 121.223 -0.274 0.000 2.688 3045 L HA 0.226 4.566 4.340 -0.000 0.000 0.216 3045 L C 2.387 179.206 176.870 -0.085 0.000 1.036 3045 L CA 1.498 56.246 54.840 -0.153 0.000 0.906 3045 L CB -1.021 40.982 42.059 -0.093 0.000 1.501 3045 L HN 0.890 nan 8.230 nan 0.000 0.489 3046 S N -0.332 115.335 115.700 -0.055 0.000 2.453 3046 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 3046 S C 1.925 176.539 174.600 0.023 0.000 1.005 3046 S CA 0.739 58.949 58.200 0.016 0.000 0.949 3046 S CB -0.483 62.766 63.200 0.081 0.000 0.774 3046 S HN 0.390 nan 8.310 nan 0.000 0.510 3047 L N 1.737 122.954 121.223 -0.009 0.000 2.017 3047 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 3047 L C 1.291 178.145 176.870 -0.027 0.000 1.073 3047 L CA 1.967 56.810 54.840 0.006 0.000 0.745 3047 L CB -0.490 41.554 42.059 -0.025 0.000 0.894 3047 L HN 0.221 nan 8.230 nan 0.000 0.432 3048 D N -0.525 119.839 120.400 -0.061 0.000 2.371 3048 D HA -0.072 4.568 4.640 -0.000 0.000 0.221 3048 D C 1.882 178.161 176.300 -0.036 0.000 0.986 3048 D CA 0.832 54.797 54.000 -0.059 0.000 0.899 3048 D CB 0.132 40.882 40.800 -0.084 0.000 0.902 3048 D HN 0.392 nan 8.370 nan 0.000 0.530 3049 I N 0.142 120.700 120.570 -0.021 0.000 3.081 3049 I HA 0.026 4.196 4.170 -0.000 0.000 0.274 3049 I C 2.146 178.265 176.117 0.003 0.000 1.178 3049 I CA 0.278 61.575 61.300 -0.005 0.000 1.460 3049 I CB 0.197 38.200 38.000 0.006 0.000 1.137 3049 I HN -0.054 nan 8.210 nan 0.000 0.443 3050 A N 0.503 123.328 122.820 0.008 0.000 2.067 3050 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 3050 A C 2.195 179.776 177.584 -0.006 0.000 1.156 3050 A CA 0.728 52.773 52.037 0.014 0.000 0.683 3050 A CB -0.473 18.546 19.000 0.032 0.000 0.808 3050 A HN 0.310 nan 8.150 nan 0.000 0.455 3051 L N -1.346 119.866 121.223 -0.019 0.000 2.017 3051 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 3051 L C 2.250 179.103 176.870 -0.027 0.000 1.073 3051 L CA 1.434 56.254 54.840 -0.034 0.000 0.745 3051 L CB -0.409 41.626 42.059 -0.040 0.000 0.894 3051 L HN 0.592 nan 8.230 nan 0.000 0.432 3052 G N -1.752 107.038 108.800 -0.018 0.000 2.234 3052 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.235 3052 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.235 3052 G C 0.964 175.856 174.900 -0.013 0.000 0.997 3052 G CA 0.563 45.657 45.100 -0.010 0.000 0.623 3052 G HN 0.489 nan 8.290 nan 0.000 0.514 3053 A N -0.570 122.238 122.820 -0.021 0.000 2.063 3053 A HA 0.612 4.932 4.320 -0.000 0.000 0.211 3053 A C 2.529 180.098 177.584 -0.025 0.000 1.177 3053 A CA 2.203 54.226 52.037 -0.022 0.000 0.759 3053 A CB -0.119 18.865 19.000 -0.027 0.000 0.857 3053 A HN 2.414 nan 8.150 nan 0.000 0.468 3054 G N -3.115 105.666 108.800 -0.031 0.000 2.229 3054 G HA2 0.396 4.356 3.960 -0.000 0.000 0.189 3054 G HA3 0.396 4.356 3.960 -0.000 0.000 0.189 3054 G C 0.944 175.813 174.900 -0.052 0.000 1.000 3054 G CA 0.371 45.448 45.100 -0.038 0.000 0.663 3054 G HN 2.154 nan 8.290 nan 0.000 0.493 3055 G N -1.076 107.693 108.800 -0.051 0.000 2.352 3055 G HA2 0.454 4.414 3.960 -0.000 0.000 0.283 3055 G HA3 0.454 4.414 3.960 -0.000 0.000 0.283 3055 G C -0.829 174.040 174.900 -0.052 0.000 1.308 3055 G CA -0.448 44.615 45.100 -0.060 0.000 0.892 3055 G HN 0.931 nan 8.290 nan 0.000 0.504 3056 L N 1.396 122.587 121.223 -0.054 0.000 2.367 3056 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 3056 L C -2.082 174.765 176.870 -0.040 0.000 1.129 3056 L CA -1.479 53.333 54.840 -0.046 0.000 0.839 3056 L CB 0.953 42.985 42.059 -0.045 0.000 1.133 3056 L HN 0.187 nan 8.230 nan 0.000 0.453 3057 P HA 0.034 nan 4.420 nan 0.000 0.265 3057 P C -0.209 177.076 177.300 -0.026 0.000 1.222 3057 P CA 0.042 63.125 63.100 -0.029 0.000 0.767 3057 P CB 0.370 32.054 31.700 -0.027 0.000 0.801 3058 M N 3.139 122.724 119.600 -0.025 0.000 2.268 3058 M HA 0.154 4.634 4.480 -0.000 0.000 0.349 3058 M C 1.341 177.628 176.300 -0.021 0.000 1.485 3058 M CA 0.898 56.184 55.300 -0.024 0.000 1.094 3058 M CB -0.737 31.848 32.600 -0.024 0.000 1.843 3058 M HN 0.780 nan 8.290 nan 0.000 0.460 3059 G N 3.828 112.616 108.800 -0.019 0.000 2.212 3059 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.255 3059 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.255 3059 G C 0.145 175.034 174.900 -0.018 0.000 1.062 3059 G CA -0.201 44.888 45.100 -0.018 0.000 0.815 3059 G HN 0.612 nan 8.290 nan 0.000 0.497 3060 R N -1.207 119.285 120.500 -0.013 0.000 3.236 3060 R HA 0.759 5.099 4.340 -0.000 0.000 0.234 3060 R C 0.143 176.451 176.300 0.014 0.000 1.541 3060 R CA -0.922 55.171 56.100 -0.011 0.000 1.038 3060 R CB 0.718 31.010 30.300 -0.013 0.000 1.587 3060 R HN 0.211 nan 8.270 nan 0.000 0.515 3061 I N 0.855 121.444 120.570 0.031 0.000 2.603 3061 I HA 0.399 4.569 4.170 -0.000 0.000 0.300 3061 I C -0.687 175.472 176.117 0.070 0.000 1.017 3061 I CA -1.034 60.319 61.300 0.089 0.000 1.098 3061 I CB 2.301 40.391 38.000 0.149 0.000 1.279 3061 I HN 0.003 nan 8.210 nan 0.000 0.437 3062 V N 5.224 125.198 119.914 0.100 0.000 2.577 3062 V HA 0.293 4.413 4.120 -0.000 0.000 0.303 3062 V C -0.461 175.689 176.094 0.094 0.000 1.042 3062 V CA -0.553 61.776 62.300 0.049 0.000 0.872 3062 V CB 2.072 33.900 31.823 0.010 0.000 0.998 3062 V HN 0.722 nan 8.190 nan 0.000 0.423 3063 E N 5.262 125.478 120.200 0.027 0.000 2.158 3063 E HA 0.587 4.937 4.350 -0.000 0.000 0.271 3063 E C -1.427 175.135 176.600 -0.063 0.000 0.911 3063 E CA -0.570 55.852 56.400 0.037 0.000 0.767 3063 E CB 1.628 31.328 29.700 -0.000 0.000 1.120 3063 E HN 0.625 nan 8.360 nan 0.000 0.405 3064 I N 6.275 126.844 120.570 -0.002 0.000 2.404 3064 I HA 0.369 4.539 4.170 -0.000 0.000 0.293 3064 I C -0.613 175.550 176.117 0.075 0.000 0.992 3064 I CA -0.735 60.543 61.300 -0.036 0.000 1.149 3064 I CB 0.970 38.978 38.000 0.014 0.000 1.315 3064 I HN 0.571 nan 8.210 nan 0.000 0.446 3065 Y N 3.920 124.241 120.300 0.035 0.000 2.638 3065 Y HA 0.949 5.499 4.550 -0.000 0.000 0.339 3065 Y C -0.177 175.738 175.900 0.026 0.000 1.084 3065 Y CA -1.125 56.993 58.100 0.031 0.000 1.068 3065 Y CB 2.322 40.796 38.460 0.023 0.000 1.294 3065 Y HN 0.665 nan 8.280 nan 0.000 0.480 3066 G N 0.746 109.718 108.800 0.287 0.000 2.321 3066 G HA2 0.248 4.208 3.960 -0.000 0.000 0.339 3066 G HA3 0.248 4.208 3.960 -0.000 0.000 0.339 3066 G C -3.487 171.447 174.900 0.057 0.000 1.518 3066 G CA -1.221 43.960 45.100 0.134 0.000 0.994 3066 G HN 0.499 nan 8.290 nan 0.000 0.668 3067 P HA 0.143 nan 4.420 nan 0.000 0.270 3067 P C 0.316 177.634 177.300 0.030 0.000 1.216 3067 P CA 0.257 63.365 63.100 0.014 0.000 0.788 3067 P CB 0.351 32.057 31.700 0.009 0.000 0.883 3068 E N -0.105 120.111 120.200 0.026 0.000 2.373 3068 E HA 0.162 4.512 4.350 -0.000 0.000 0.267 3068 E C -0.400 176.222 176.600 0.037 0.000 1.032 3068 E CA -0.563 55.857 56.400 0.034 0.000 0.889 3068 E CB -0.157 29.561 29.700 0.030 0.000 0.984 3068 E HN 0.294 nan 8.360 nan 0.000 0.425 3069 S N 1.494 117.219 115.700 0.042 0.000 3.706 3069 S HA -0.187 4.283 4.470 -0.000 0.000 0.363 3069 S C 0.647 175.271 174.600 0.040 0.000 0.999 3069 S CA 0.826 59.052 58.200 0.043 0.000 1.143 3069 S CB -1.877 61.352 63.200 0.050 0.000 0.902 3069 S HN 0.765 nan 8.310 nan 0.000 0.476 3070 S N -0.486 115.237 115.700 0.038 0.000 2.497 3070 S HA 0.499 4.969 4.470 -0.000 0.000 0.221 3070 S C 1.546 176.161 174.600 0.026 0.000 1.037 3070 S CA 0.690 58.911 58.200 0.034 0.000 0.920 3070 S CB 0.805 64.030 63.200 0.043 0.000 0.800 3070 S HN 1.956 nan 8.310 nan 0.000 0.505 3071 G N 1.207 110.025 108.800 0.029 0.000 2.198 3071 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.156 3071 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.156 3071 G C 0.549 175.474 174.900 0.042 0.000 1.012 3071 G CA 0.215 45.329 45.100 0.024 0.000 0.692 3071 G HN 0.377 nan 8.290 nan 0.000 0.492 3072 K N 0.050 120.483 120.400 0.055 0.000 1.986 3072 K HA -0.179 4.141 4.320 -0.000 0.000 0.230 3072 K C 2.626 179.263 176.600 0.062 0.000 1.048 3072 K CA 2.726 59.053 56.287 0.068 0.000 1.008 3072 K CB -0.516 32.031 32.500 0.078 0.000 0.737 3072 K HN 0.252 nan 8.250 nan 0.000 0.447 3073 T N 0.133 114.729 114.554 0.071 0.000 2.565 3073 T HA -0.241 4.109 4.350 -0.000 0.000 0.265 3073 T C 1.846 176.544 174.700 -0.004 0.000 1.082 3073 T CA 2.349 64.498 62.100 0.081 0.000 1.173 3073 T CB -0.671 68.264 68.868 0.112 0.000 0.864 3073 T HN 0.421 nan 8.240 nan 0.000 0.425 3074 T N 2.034 116.562 114.554 -0.043 0.000 2.649 3074 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 3074 T C 1.862 176.513 174.700 -0.082 0.000 1.036 3074 T CA 1.533 63.564 62.100 -0.115 0.000 1.157 3074 T CB -0.607 68.216 68.868 -0.076 0.000 0.861 3074 T HN 0.246 nan 8.240 nan 0.000 0.445 3075 L N 0.659 121.875 121.223 -0.012 0.000 1.989 3075 L HA -0.199 4.141 4.340 -0.000 0.000 0.211 3075 L C 2.882 179.729 176.870 -0.039 0.000 1.071 3075 L CA 2.141 56.983 54.840 0.003 0.000 0.749 3075 L CB -0.876 41.217 42.059 0.056 0.000 0.890 3075 L HN 0.493 nan 8.230 nan 0.000 0.431 3076 T N -1.542 113.002 114.554 -0.017 0.000 2.635 3076 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 3076 T C 1.797 176.444 174.700 -0.089 0.000 1.040 3076 T CA 1.757 63.847 62.100 -0.017 0.000 1.156 3076 T CB -0.904 68.006 68.868 0.070 0.000 0.863 3076 T HN 0.260 nan 8.240 nan 0.000 0.430 3077 L N 0.903 122.032 121.223 -0.155 0.000 2.127 3077 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 3077 L C 3.115 179.860 176.870 -0.209 0.000 1.089 3077 L CA 1.383 56.068 54.840 -0.258 0.000 0.757 3077 L CB -0.636 41.217 42.059 -0.344 0.000 0.899 3077 L HN 0.240 nan 8.230 nan 0.000 0.434 3078 Q N -0.839 118.858 119.800 -0.171 0.000 2.291 3078 Q HA -0.089 4.251 4.340 -0.000 0.000 0.205 3078 Q C 2.280 178.186 176.000 -0.157 0.000 0.970 3078 Q CA 1.204 56.908 55.803 -0.163 0.000 0.876 3078 Q CB 0.031 28.677 28.738 -0.153 0.000 0.935 3078 Q HN 0.454 nan 8.270 nan 0.000 0.455 3079 V N 0.364 120.199 119.914 -0.133 0.000 2.446 3079 V HA -0.180 3.940 4.120 -0.000 0.000 0.244 3079 V C 2.244 178.270 176.094 -0.114 0.000 1.039 3079 V CA 1.044 63.273 62.300 -0.118 0.000 1.045 3079 V CB -0.532 31.239 31.823 -0.087 0.000 0.681 3079 V HN 0.216 nan 8.190 nan 0.000 0.459 3080 I N 1.251 121.750 120.570 -0.119 0.000 2.264 3080 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 3080 I C 2.730 178.773 176.117 -0.124 0.000 1.111 3080 I CA 1.498 62.726 61.300 -0.120 0.000 1.382 3080 I CB -0.706 37.196 38.000 -0.164 0.000 1.060 3080 I HN 0.280 nan 8.210 nan 0.000 0.418 3081 A N 1.007 123.743 122.820 -0.141 0.000 1.851 3081 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 3081 A C 2.280 179.795 177.584 -0.115 0.000 1.195 3081 A CA 1.987 53.946 52.037 -0.130 0.000 0.622 3081 A CB -0.851 18.063 19.000 -0.142 0.000 0.831 3081 A HN 0.436 nan 8.150 nan 0.000 0.444 3082 A N -1.342 121.401 122.820 -0.129 0.000 2.327 3082 A HA 0.605 4.925 4.320 -0.000 0.000 0.228 3082 A C 1.689 179.213 177.584 -0.101 0.000 1.275 3082 A CA 1.000 52.961 52.037 -0.126 0.000 0.875 3082 A CB -0.625 18.274 19.000 -0.168 0.000 0.925 3082 A HN 0.846 nan 8.150 nan 0.000 0.493 3083 A N -1.143 121.624 122.820 -0.089 0.000 1.920 3083 A HA 0.123 4.443 4.320 -0.000 0.000 0.209 3083 A C 1.907 179.454 177.584 -0.062 0.000 1.229 3083 A CA 0.996 52.991 52.037 -0.071 0.000 0.671 3083 A CB -0.312 18.649 19.000 -0.066 0.000 0.886 3083 A HN 0.367 nan 8.150 nan 0.000 0.461 3084 Q N -0.074 119.686 119.800 -0.067 0.000 2.248 3084 Q HA -0.160 4.180 4.340 -0.000 0.000 0.208 3084 Q C 1.973 177.942 176.000 -0.051 0.000 0.984 3084 Q CA 1.669 57.438 55.803 -0.058 0.000 0.875 3084 Q CB -0.321 28.376 28.738 -0.067 0.000 0.910 3084 Q HN 0.505 nan 8.270 nan 0.000 0.433 3085 R N -0.083 120.382 120.500 -0.058 0.000 2.285 3085 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 3085 R C 0.021 176.297 176.300 -0.040 0.000 1.068 3085 R CA 0.850 56.920 56.100 -0.050 0.000 1.004 3085 R CB 0.304 30.565 30.300 -0.065 0.000 0.873 3085 R HN 0.125 nan 8.270 nan 0.000 0.467 3086 E N -1.690 118.485 120.200 -0.041 0.000 3.832 3086 E HA 0.211 4.561 4.350 -0.000 0.000 0.250 3086 E C 0.031 176.612 176.600 -0.031 0.000 1.215 3086 E CA 0.210 56.590 56.400 -0.033 0.000 1.179 3086 E CB 0.748 30.428 29.700 -0.034 0.000 1.270 3086 E HN 0.292 nan 8.360 nan 0.000 0.405 3087 G N 1.821 110.603 108.800 -0.029 0.000 4.236 3087 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.222 3087 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.222 3087 G C 0.198 175.081 174.900 -0.028 0.000 1.354 3087 G CA 0.216 45.301 45.100 -0.026 0.000 0.966 3087 G HN 0.325 nan 8.290 nan 0.000 0.624 3088 K N 3.290 123.671 120.400 -0.030 0.000 2.392 3088 K HA 0.021 4.341 4.320 -0.000 0.000 0.259 3088 K C 0.891 177.472 176.600 -0.032 0.000 1.141 3088 K CA 1.562 57.831 56.287 -0.031 0.000 1.208 3088 K CB -0.783 31.696 32.500 -0.036 0.000 0.786 3088 K HN 0.874 nan 8.250 nan 0.000 0.498 3089 T N -0.075 114.463 114.554 -0.027 0.000 2.913 3089 T HA 0.416 4.766 4.350 -0.000 0.000 0.287 3089 T C 0.312 174.998 174.700 -0.024 0.000 1.008 3089 T CA -0.920 61.164 62.100 -0.026 0.000 1.067 3089 T CB 1.223 70.078 68.868 -0.020 0.000 0.996 3089 T HN 0.563 nan 8.240 nan 0.000 0.513 3090 C N 1.596 120.882 119.300 -0.022 0.000 2.547 3090 C HA 0.895 5.355 4.460 -0.000 0.000 0.313 3090 C C 0.256 175.250 174.990 0.006 0.000 1.191 3090 C CA -0.552 58.457 59.018 -0.015 0.000 1.474 3090 C CB 0.750 28.474 27.740 -0.028 0.000 2.081 3090 C HN 1.225 nan 8.230 nan 0.000 0.476 3091 A N 2.241 125.073 122.820 0.020 0.000 2.401 3091 A HA 0.900 5.220 4.320 -0.000 0.000 0.310 3091 A C -1.354 176.294 177.584 0.106 0.000 1.075 3091 A CA -0.296 51.769 52.037 0.046 0.000 0.746 3091 A CB 1.070 20.074 19.000 0.006 0.000 1.277 3091 A HN 0.877 nan 8.150 nan 0.000 0.425 3092 F N 3.938 123.842 119.950 -0.077 0.000 2.610 3092 F HA 0.467 4.994 4.527 0.000 0.000 0.355 3092 F C -0.839 174.908 175.800 -0.088 0.000 1.140 3092 F CA -1.177 56.772 58.000 -0.086 0.000 1.037 3092 F CB 0.909 39.864 39.000 -0.075 0.000 1.287 3092 F HN 0.399 nan 8.300 nan 0.000 0.457 3093 I N 4.360 124.684 120.570 -0.410 0.000 2.406 3093 I HA 0.066 4.236 4.170 -0.000 0.000 0.293 3093 I C 0.223 176.003 176.117 -0.562 0.000 1.101 3093 I CA 0.211 61.289 61.300 -0.369 0.000 1.334 3093 I CB 0.240 38.072 38.000 -0.280 0.000 1.421 3093 I HN 0.543 nan 8.210 nan 0.000 0.513 3094 D N 5.372 125.491 120.400 -0.469 0.000 3.110 3094 D HA 0.378 5.018 4.640 -0.000 0.000 0.254 3094 D C 1.414 177.489 176.300 -0.376 0.000 1.283 3094 D CA -0.107 53.605 54.000 -0.480 0.000 0.944 3094 D CB 0.703 41.337 40.800 -0.278 0.000 1.066 3094 D HN 0.598 nan 8.370 nan 0.000 0.496 3095 A N 1.168 123.800 122.820 -0.314 0.000 1.958 3095 A HA -0.232 4.088 4.320 -0.000 0.000 0.221 3095 A C 1.978 179.438 177.584 -0.205 0.000 1.178 3095 A CA 1.246 53.137 52.037 -0.244 0.000 0.642 3095 A CB -0.295 18.629 19.000 -0.127 0.000 0.816 3095 A HN 0.469 nan 8.150 nan 0.000 0.453 3096 E N -1.617 118.504 120.200 -0.132 0.000 2.338 3096 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 3096 E C -0.226 176.437 176.600 0.104 0.000 1.007 3096 E CA 0.843 57.244 56.400 0.002 0.000 0.849 3096 E CB -0.243 29.461 29.700 0.007 0.000 0.774 3096 E HN 0.830 nan 8.360 nan 0.000 0.506 3097 H N -1.905 117.163 119.070 -0.004 0.000 2.862 3097 H HA -0.202 4.354 4.556 -0.000 0.000 0.290 3097 H C 0.490 175.844 175.328 0.043 0.000 1.211 3097 H CA 0.264 56.323 56.048 0.019 0.000 1.140 3097 H CB -1.636 28.135 29.762 0.015 0.000 1.341 3097 H HN 0.293 nan 8.280 nan 0.000 0.392 3098 A N 0.635 123.526 122.820 0.119 0.000 3.293 3098 A HA 0.647 4.967 4.320 -0.000 0.000 0.163 3098 A C 0.799 178.476 177.584 0.154 0.000 2.052 3098 A CA -0.113 52.002 52.037 0.130 0.000 1.062 3098 A CB -0.142 18.932 19.000 0.124 0.000 1.908 3098 A HN 1.193 nan 8.150 nan 0.000 0.790 3099 L N -1.667 119.665 121.223 0.181 0.000 3.089 3099 L HA -0.147 4.193 4.340 -0.000 0.000 0.511 3099 L C -1.156 175.792 176.870 0.130 0.000 1.002 3099 L CA 0.818 55.758 54.840 0.167 0.000 1.246 3099 L CB -1.337 40.862 42.059 0.233 0.000 1.087 3099 L HN 0.637 nan 8.230 nan 0.000 0.591 3100 D N 7.491 127.977 120.400 0.144 0.000 2.456 3100 D HA 0.411 5.051 4.640 -0.000 0.000 0.219 3100 D C -1.278 175.084 176.300 0.103 0.000 1.126 3100 D CA -1.821 52.260 54.000 0.136 0.000 0.890 3100 D CB 1.058 41.964 40.800 0.176 0.000 1.025 3100 D HN 0.499 nan 8.370 nan 0.000 0.511 3101 P HA -0.247 nan 4.420 nan 0.000 0.217 3101 P C 1.797 179.115 177.300 0.031 0.000 1.158 3101 P CA 0.886 63.999 63.100 0.021 0.000 0.887 3101 P CB 0.313 32.027 31.700 0.024 0.000 0.792 3102 I N -0.662 119.944 120.570 0.060 0.000 2.065 3102 I HA -0.312 3.858 4.170 -0.000 0.000 0.236 3102 I C 2.679 178.869 176.117 0.121 0.000 1.028 3102 I CA 1.769 63.113 61.300 0.073 0.000 1.299 3102 I CB -2.081 35.962 38.000 0.071 0.000 1.015 3102 I HN 0.009 nan 8.210 nan 0.000 0.396 3103 Y N 1.587 121.881 120.300 -0.010 0.000 2.096 3103 Y HA -0.370 4.180 4.550 -0.000 0.000 0.278 3103 Y C 2.706 178.583 175.900 -0.039 0.000 1.192 3103 Y CA 1.915 60.005 58.100 -0.016 0.000 1.143 3103 Y CB -0.051 38.401 38.460 -0.014 0.000 0.963 3103 Y HN 0.230 nan 8.280 nan 0.000 0.505 3104 A N 0.547 123.323 122.820 -0.074 0.000 1.892 3104 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 3104 A C 2.251 179.749 177.584 -0.142 0.000 1.188 3104 A CA 2.039 53.948 52.037 -0.213 0.000 0.631 3104 A CB -0.957 17.928 19.000 -0.192 0.000 0.822 3104 A HN 0.587 nan 8.150 nan 0.000 0.447 3105 R N -0.193 120.271 120.500 -0.060 0.000 2.083 3105 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 3105 R C 2.118 178.402 176.300 -0.027 0.000 1.137 3105 R CA 1.940 58.016 56.100 -0.039 0.000 0.951 3105 R CB -0.270 30.026 30.300 -0.008 0.000 0.851 3105 R HN 0.543 nan 8.270 nan 0.000 0.434 3106 K N 0.115 120.525 120.400 0.016 0.000 2.281 3106 K HA -0.152 4.168 4.320 -0.000 0.000 0.203 3106 K C 1.951 178.557 176.600 0.010 0.000 1.046 3106 K CA 1.011 57.328 56.287 0.050 0.000 0.938 3106 K CB -0.042 32.544 32.500 0.144 0.000 0.737 3106 K HN 0.236 nan 8.250 nan 0.000 0.458 3107 L N -0.967 120.209 121.223 -0.078 0.000 2.341 3107 L HA 0.021 4.361 4.340 -0.000 0.000 0.214 3107 L C 1.097 177.905 176.870 -0.103 0.000 1.115 3107 L CA 0.724 55.489 54.840 -0.125 0.000 0.820 3107 L CB 0.401 42.300 42.059 -0.266 0.000 0.944 3107 L HN 0.433 nan 8.230 nan 0.000 0.452 3108 G N -0.662 108.082 108.800 -0.094 0.000 2.157 3108 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.114 3108 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.114 3108 G C -0.208 174.639 174.900 -0.090 0.000 1.041 3108 G CA -0.295 44.761 45.100 -0.074 0.000 0.714 3108 G HN -0.017 nan 8.290 nan 0.000 0.492 3109 V N 0.363 120.211 119.914 -0.109 0.000 2.863 3109 V HA 0.522 4.642 4.120 -0.000 0.000 0.307 3109 V C 0.343 176.387 176.094 -0.083 0.000 1.061 3109 V CA -0.828 61.402 62.300 -0.116 0.000 1.024 3109 V CB 1.846 33.571 31.823 -0.163 0.000 1.049 3109 V HN 0.260 nan 8.190 nan 0.000 0.471 3110 D N 2.146 122.502 120.400 -0.074 0.000 2.374 3110 D HA 0.152 4.792 4.640 -0.000 0.000 0.240 3110 D C 0.940 177.207 176.300 -0.055 0.000 1.229 3110 D CA -0.275 53.694 54.000 -0.053 0.000 0.895 3110 D CB 0.952 41.726 40.800 -0.044 0.000 1.046 3110 D HN 0.284 nan 8.370 nan 0.000 0.498 3111 I N 3.035 123.576 120.570 -0.048 0.000 2.361 3111 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 3111 I C 1.314 177.414 176.117 -0.030 0.000 1.133 3111 I CA 1.197 62.470 61.300 -0.045 0.000 1.413 3111 I CB -0.698 37.283 38.000 -0.032 0.000 1.073 3111 I HN 0.345 nan 8.210 nan 0.000 0.424 3112 D N -0.337 120.050 120.400 -0.023 0.000 2.333 3112 D HA -0.022 4.618 4.640 -0.000 0.000 0.208 3112 D C 1.291 177.582 176.300 -0.015 0.000 0.984 3112 D CA 0.456 54.447 54.000 -0.015 0.000 0.873 3112 D CB -0.158 40.636 40.800 -0.011 0.000 0.935 3112 D HN 0.311 nan 8.370 nan 0.000 0.521 3113 N N 0.638 119.325 118.700 -0.022 0.000 2.321 3113 N HA 0.086 4.826 4.740 -0.000 0.000 0.242 3113 N C -0.449 175.046 175.510 -0.025 0.000 1.141 3113 N CA 0.025 53.062 53.050 -0.021 0.000 0.864 3113 N CB 1.062 39.535 38.487 -0.024 0.000 1.100 3113 N HN 0.122 nan 8.380 nan 0.000 0.510 3114 L N 2.095 123.303 121.223 -0.025 0.000 2.581 3114 L HA 0.426 4.766 4.340 -0.000 0.000 0.241 3114 L C -0.996 175.877 176.870 0.004 0.000 1.265 3114 L CA -0.287 54.539 54.840 -0.022 0.000 0.954 3114 L CB 0.031 42.056 42.059 -0.057 0.000 1.269 3114 L HN -0.006 nan 8.230 nan 0.000 0.475 3115 L N 3.558 124.785 121.223 0.007 0.000 2.361 3115 L HA 0.300 4.640 4.340 -0.000 0.000 0.278 3115 L C 0.291 177.177 176.870 0.026 0.000 1.113 3115 L CA -0.140 54.708 54.840 0.013 0.000 0.849 3115 L CB 0.597 42.658 42.059 0.004 0.000 1.155 3115 L HN 0.617 nan 8.230 nan 0.000 0.452 3116 C N 0.576 119.898 119.300 0.036 0.000 3.080 3116 C HA 0.922 5.382 4.460 -0.000 0.000 0.307 3116 C C 0.030 175.030 174.990 0.017 0.000 1.311 3116 C CA -0.940 58.109 59.018 0.052 0.000 1.533 3116 C CB 1.419 29.243 27.740 0.140 0.000 1.970 3116 C HN 0.774 nan 8.230 nan 0.000 0.467 3117 S N 0.475 116.164 115.700 -0.018 0.000 2.566 3117 S HA 0.673 5.143 4.470 -0.000 0.000 0.298 3117 S C -1.023 173.523 174.600 -0.090 0.000 1.083 3117 S CA -0.479 57.693 58.200 -0.047 0.000 0.978 3117 S CB 1.413 64.576 63.200 -0.063 0.000 1.073 3117 S HN 0.849 nan 8.310 nan 0.000 0.491 3118 Q N 1.112 120.863 119.800 -0.082 0.000 2.851 3118 Q HA 0.311 4.651 4.340 -0.000 0.000 0.331 3118 Q C -2.558 173.369 176.000 -0.121 0.000 0.979 3118 Q CA -1.557 54.150 55.803 -0.160 0.000 0.955 3118 Q CB 0.576 29.274 28.738 -0.068 0.000 1.298 3118 Q HN 0.509 nan 8.270 nan 0.000 0.432 3119 P HA -0.020 nan 4.420 nan 0.000 0.269 3119 P C 0.247 177.553 177.300 0.010 0.000 1.217 3119 P CA 0.003 63.072 63.100 -0.052 0.000 0.783 3119 P CB 1.028 32.688 31.700 -0.066 0.000 0.898 3120 D N -0.974 119.450 120.400 0.039 0.000 2.290 3120 D HA -0.012 4.628 4.640 -0.000 0.000 0.224 3120 D C 0.714 177.046 176.300 0.053 0.000 0.967 3120 D CA 1.376 55.418 54.000 0.069 0.000 0.893 3120 D CB -0.144 40.685 40.800 0.049 0.000 1.037 3120 D HN 0.493 nan 8.370 nan 0.000 0.477 3121 T N -2.726 111.846 114.554 0.029 0.000 2.940 3121 T HA 0.525 4.875 4.350 -0.000 0.000 0.288 3121 T C 1.421 176.132 174.700 0.017 0.000 1.033 3121 T CA -0.360 61.755 62.100 0.024 0.000 1.033 3121 T CB 1.973 70.853 68.868 0.020 0.000 1.079 3121 T HN -0.017 nan 8.240 nan 0.000 0.496 3122 G N 0.482 109.294 108.800 0.020 0.000 2.476 3122 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 3122 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 3122 G C 1.228 176.142 174.900 0.023 0.000 1.164 3122 G CA 0.777 45.891 45.100 0.023 0.000 0.768 3122 G HN 0.858 nan 8.290 nan 0.000 0.560 3123 E N -0.205 120.008 120.200 0.022 0.000 2.031 3123 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 3123 E C 2.479 179.089 176.600 0.016 0.000 0.994 3123 E CA 1.109 57.522 56.400 0.022 0.000 0.800 3123 E CB -0.263 29.448 29.700 0.019 0.000 0.752 3123 E HN 0.592 nan 8.360 nan 0.000 0.447 3124 Q N 0.408 120.214 119.800 0.010 0.000 2.047 3124 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 3124 Q C 2.143 178.140 176.000 -0.005 0.000 1.005 3124 Q CA 2.136 57.941 55.803 0.003 0.000 0.866 3124 Q CB -0.231 28.508 28.738 0.002 0.000 0.938 3124 Q HN 0.254 nan 8.270 nan 0.000 0.414 3125 A N 0.636 123.449 122.820 -0.012 0.000 1.873 3125 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 3125 A C 2.102 179.678 177.584 -0.012 0.000 1.193 3125 A CA 1.713 53.733 52.037 -0.029 0.000 0.629 3125 A CB -1.004 17.973 19.000 -0.038 0.000 0.826 3125 A HN 0.490 nan 8.150 nan 0.000 0.447 3126 L N -1.248 119.986 121.223 0.019 0.000 1.956 3126 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 3126 L C 2.637 179.525 176.870 0.029 0.000 1.073 3126 L CA 2.038 56.906 54.840 0.046 0.000 0.762 3126 L CB -0.493 41.605 42.059 0.065 0.000 0.889 3126 L HN 0.364 nan 8.230 nan 0.000 0.433 3127 E N -0.326 119.887 120.200 0.022 0.000 2.401 3127 E HA -0.142 4.208 4.350 -0.000 0.000 0.199 3127 E C 1.931 178.534 176.600 0.005 0.000 1.023 3127 E CA 0.587 56.997 56.400 0.016 0.000 0.859 3127 E CB -0.028 29.681 29.700 0.015 0.000 0.780 3127 E HN 0.432 nan 8.360 nan 0.000 0.523 3128 I N -0.195 120.372 120.570 -0.005 0.000 2.193 3128 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 3128 I C 2.265 178.369 176.117 -0.021 0.000 1.084 3128 I CA 1.005 62.296 61.300 -0.016 0.000 1.365 3128 I CB -0.246 37.737 38.000 -0.027 0.000 1.064 3128 I HN 0.344 nan 8.210 nan 0.000 0.410 3129 C N -0.601 118.681 119.300 -0.029 0.000 2.432 3129 C HA -0.096 4.364 4.460 -0.000 0.000 0.280 3129 C C 2.444 177.426 174.990 -0.014 0.000 1.353 3129 C CA 0.135 59.130 59.018 -0.039 0.000 1.766 3129 C CB -0.955 26.738 27.740 -0.079 0.000 1.924 3129 C HN 0.497 nan 8.230 nan 0.000 0.509 3130 D N 2.175 122.578 120.400 0.005 0.000 2.106 3130 D HA -0.121 4.519 4.640 -0.000 0.000 0.191 3130 D C 2.304 178.607 176.300 0.005 0.000 0.997 3130 D CA 2.412 56.421 54.000 0.015 0.000 0.834 3130 D CB -0.398 40.416 40.800 0.024 0.000 0.956 3130 D HN 0.537 nan 8.370 nan 0.000 0.448 3131 A N -0.228 122.592 122.820 0.000 0.000 2.216 3131 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 3131 A C 2.258 179.837 177.584 -0.007 0.000 1.160 3131 A CA 0.552 52.588 52.037 -0.002 0.000 0.725 3131 A CB -0.391 18.608 19.000 -0.002 0.000 0.784 3131 A HN 0.391 nan 8.150 nan 0.000 0.472 3132 L N -2.011 119.205 121.223 -0.012 0.000 2.513 3132 L HA 0.120 4.460 4.340 -0.000 0.000 0.222 3132 L C 2.688 179.548 176.870 -0.016 0.000 1.096 3132 L CA 0.703 55.533 54.840 -0.016 0.000 0.857 3132 L CB -0.352 41.693 42.059 -0.024 0.000 1.026 3132 L HN 0.372 nan 8.230 nan 0.000 0.469 3133 A N 0.779 123.592 122.820 -0.012 0.000 1.929 3133 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 3133 A C 2.345 179.924 177.584 -0.008 0.000 1.176 3133 A CA 0.980 53.011 52.037 -0.010 0.000 0.628 3133 A CB -0.223 18.776 19.000 -0.002 0.000 0.816 3133 A HN 0.303 nan 8.150 nan 0.000 0.444 3134 R N -0.300 120.197 120.500 -0.005 0.000 2.153 3134 R HA 0.085 4.425 4.340 -0.000 0.000 0.218 3134 R C 0.813 177.109 176.300 -0.006 0.000 1.072 3134 R CA 0.718 56.815 56.100 -0.005 0.000 0.990 3134 R CB -0.219 30.080 30.300 -0.002 0.000 0.889 3134 R HN 0.279 nan 8.270 nan 0.000 0.452 3135 S N 1.338 117.033 115.700 -0.008 0.000 3.593 3135 S HA 0.124 4.594 4.470 -0.000 0.000 0.224 3135 S C 0.873 175.467 174.600 -0.010 0.000 1.333 3135 S CA 0.340 58.535 58.200 -0.008 0.000 1.164 3135 S CB -0.659 62.535 63.200 -0.009 0.000 1.281 3135 S HN 0.636 nan 8.310 nan 0.000 0.457 3136 G N 2.095 110.890 108.800 -0.009 0.000 2.651 3136 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.315 3136 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.315 3136 G C 0.362 175.254 174.900 -0.012 0.000 1.258 3136 G CA -0.027 45.068 45.100 -0.010 0.000 1.002 3136 G HN 1.148 nan 8.290 nan 0.000 0.551 3137 A N -0.307 122.506 122.820 -0.012 0.000 3.078 3137 A HA 0.600 4.920 4.320 -0.000 0.000 0.279 3137 A C 0.101 177.675 177.584 -0.015 0.000 1.594 3137 A CA 0.310 52.339 52.037 -0.014 0.000 1.301 3137 A CB 0.014 19.006 19.000 -0.014 0.000 1.162 3137 A HN 1.418 nan 8.150 nan 0.000 0.585 3138 V N 1.976 121.880 119.914 -0.016 0.000 2.318 3138 V HA 0.149 4.269 4.120 -0.000 0.000 0.271 3138 V C 0.298 176.379 176.094 -0.021 0.000 1.030 3138 V CA -0.282 62.007 62.300 -0.018 0.000 0.844 3138 V CB 1.052 32.865 31.823 -0.017 0.000 1.015 3138 V HN 0.723 nan 8.190 nan 0.000 0.460 3139 D N 2.571 122.957 120.400 -0.023 0.000 2.333 3139 D HA 0.115 4.755 4.640 -0.000 0.000 0.208 3139 D C 0.190 176.473 176.300 -0.029 0.000 0.984 3139 D CA 0.984 54.969 54.000 -0.025 0.000 0.873 3139 D CB 1.452 42.236 40.800 -0.026 0.000 0.935 3139 D HN 0.362 nan 8.370 nan 0.000 0.521 3140 V N 0.680 120.576 119.914 -0.030 0.000 3.023 3140 V HA 0.337 4.457 4.120 -0.000 0.000 0.294 3140 V C -1.788 174.286 176.094 -0.033 0.000 1.324 3140 V CA -0.721 61.559 62.300 -0.034 0.000 0.979 3140 V CB 2.403 34.204 31.823 -0.037 0.000 1.093 3140 V HN -0.178 nan 8.190 nan 0.000 0.434 3141 I N 5.807 126.346 120.570 -0.051 0.000 2.466 3141 I HA 0.595 4.765 4.170 -0.000 0.000 0.289 3141 I C -0.776 175.283 176.117 -0.098 0.000 1.026 3141 I CA -0.958 60.301 61.300 -0.069 0.000 1.078 3141 I CB 2.158 40.094 38.000 -0.107 0.000 1.249 3141 I HN 0.313 nan 8.210 nan 0.000 0.429 3142 V N 6.582 126.468 119.914 -0.046 0.000 2.417 3142 V HA 0.361 4.481 4.120 -0.000 0.000 0.291 3142 V C -0.190 175.758 176.094 -0.243 0.000 1.024 3142 V CA -0.726 61.539 62.300 -0.057 0.000 0.861 3142 V CB 2.010 33.957 31.823 0.207 0.000 0.985 3142 V HN 0.478 nan 8.190 nan 0.000 0.436 3143 V N 1.249 120.959 119.914 -0.340 0.000 2.311 3143 V HA 0.610 4.730 4.120 -0.000 0.000 0.275 3143 V C -0.641 175.297 176.094 -0.261 0.000 1.022 3143 V CA -0.475 61.596 62.300 -0.381 0.000 0.830 3143 V CB 1.278 32.789 31.823 -0.519 0.000 1.012 3143 V HN 0.805 nan 8.190 nan 0.000 0.452 3144 D N 3.390 123.577 120.400 -0.353 0.000 2.454 3144 D HA 0.623 5.263 4.640 -0.000 0.000 0.247 3144 D C -0.580 175.606 176.300 -0.191 0.000 1.129 3144 D CA 0.338 54.193 54.000 -0.241 0.000 0.877 3144 D CB 1.744 42.344 40.800 -0.333 0.000 1.082 3144 D HN 0.740 nan 8.370 nan 0.000 0.537 3145 S N 2.219 117.872 115.700 -0.078 0.000 2.579 3145 S HA 0.253 4.723 4.470 -0.000 0.000 0.272 3145 S C 1.073 175.700 174.600 0.044 0.000 1.141 3145 S CA -0.711 57.485 58.200 -0.005 0.000 0.843 3145 S CB 1.363 64.577 63.200 0.024 0.000 1.122 3145 S HN 0.090 nan 8.310 nan 0.000 0.468 3146 V N 3.149 123.130 119.914 0.111 0.000 2.495 3146 V HA -0.303 3.817 4.120 -0.000 0.000 0.260 3146 V C 2.716 178.848 176.094 0.063 0.000 1.097 3146 V CA 2.686 65.057 62.300 0.118 0.000 1.105 3146 V CB -1.773 30.123 31.823 0.121 0.000 0.678 3146 V HN 0.909 nan 8.190 nan 0.000 0.469 3147 A N 0.483 123.334 122.820 0.051 0.000 1.859 3147 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 3147 A C 2.230 179.833 177.584 0.031 0.000 1.242 3147 A CA 2.597 54.656 52.037 0.036 0.000 0.661 3147 A CB -1.155 17.866 19.000 0.034 0.000 0.842 3147 A HN 0.856 nan 8.150 nan 0.000 0.455 3148 A N -1.811 121.027 122.820 0.030 0.000 2.247 3148 A HA 0.348 4.668 4.320 -0.000 0.000 0.205 3148 A C 0.792 178.395 177.584 0.030 0.000 1.261 3148 A CA 0.569 52.626 52.037 0.034 0.000 0.853 3148 A CB -0.491 18.535 19.000 0.045 0.000 0.793 3148 A HN 0.350 nan 8.150 nan 0.000 0.487 3149 L N 0.815 122.057 121.223 0.031 0.000 2.984 3149 L HA 0.151 4.491 4.340 -0.000 0.000 0.246 3149 L C 0.988 177.873 176.870 0.025 0.000 1.268 3149 L CA 0.394 55.253 54.840 0.032 0.000 1.054 3149 L CB -0.131 41.956 42.059 0.048 0.000 1.393 3149 L HN 0.344 nan 8.230 nan 0.000 0.532 3150 T N -2.123 112.443 114.554 0.020 0.000 2.729 3150 T HA 0.550 4.900 4.350 -0.000 0.000 0.296 3150 T C -1.579 173.130 174.700 0.015 0.000 0.928 3150 T CA -1.425 60.683 62.100 0.014 0.000 1.045 3150 T CB 0.324 69.197 68.868 0.010 0.000 0.902 3150 T HN 0.002 nan 8.240 nan 0.000 0.500 3167 A N 0.179 122.997 122.820 -0.003 0.000 2.247 3167 A HA 0.626 4.946 4.320 -0.000 0.000 0.205 3167 A C 1.655 179.234 177.584 -0.008 0.000 1.261 3167 A CA 1.417 53.453 52.037 -0.002 0.000 0.853 3167 A CB -0.227 18.773 19.000 -0.000 0.000 0.793 3167 A HN 1.084 nan 8.150 nan 0.000 0.487 3168 A N -1.472 121.341 122.820 -0.012 0.000 2.533 3168 A HA 0.247 4.567 4.320 -0.000 0.000 0.180 3168 A C 1.746 179.319 177.584 -0.019 0.000 1.566 3168 A CA 0.140 52.165 52.037 -0.021 0.000 1.153 3168 A CB 0.159 19.145 19.000 -0.024 0.000 1.462 3168 A HN 0.354 nan 8.150 nan 0.000 0.523 3169 R N -0.446 120.046 120.500 -0.012 0.000 2.119 3169 R HA 0.092 4.432 4.340 -0.000 0.000 0.222 3169 R C 2.138 178.437 176.300 -0.002 0.000 1.088 3169 R CA 1.378 57.472 56.100 -0.010 0.000 0.984 3169 R CB -0.275 30.020 30.300 -0.008 0.000 0.884 3169 R HN 0.624 nan 8.270 nan 0.000 0.447 3170 M N 0.182 119.783 119.600 0.002 0.000 2.117 3170 M HA -0.167 4.313 4.480 -0.000 0.000 0.262 3170 M C 1.838 178.147 176.300 0.016 0.000 1.065 3170 M CA 1.521 56.828 55.300 0.011 0.000 1.114 3170 M CB 0.144 32.751 32.600 0.013 0.000 1.361 3170 M HN 0.099 nan 8.290 nan 0.000 0.408 3171 M N -0.674 118.929 119.600 0.004 0.000 2.062 3171 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 3171 M C 2.434 178.738 176.300 0.007 0.000 1.076 3171 M CA 1.776 57.075 55.300 -0.002 0.000 1.122 3171 M CB -1.556 31.019 32.600 -0.043 0.000 1.312 3171 M HN 0.393 nan 8.290 nan 0.000 0.412 3172 S N -0.033 115.660 115.700 -0.013 0.000 2.461 3172 S HA -0.242 4.228 4.470 -0.000 0.000 0.246 3172 S C 1.724 176.339 174.600 0.026 0.000 1.007 3172 S CA 1.664 59.854 58.200 -0.016 0.000 0.976 3172 S CB -0.103 63.071 63.200 -0.043 0.000 0.763 3172 S HN 0.419 nan 8.310 nan 0.000 0.508 3173 Q N 1.005 120.823 119.800 0.030 0.000 1.858 3173 Q HA 0.216 4.556 4.340 -0.000 0.000 0.224 3173 Q C 2.324 178.364 176.000 0.066 0.000 0.980 3173 Q CA 1.841 57.669 55.803 0.042 0.000 0.868 3173 Q CB -0.733 28.024 28.738 0.032 0.000 0.920 3173 Q HN 0.551 nan 8.270 nan 0.000 0.427 3174 A N -0.443 122.418 122.820 0.068 0.000 2.209 3174 A HA -0.086 4.234 4.320 -0.000 0.000 0.212 3174 A C 1.851 179.505 177.584 0.117 0.000 1.158 3174 A CA 1.063 53.151 52.037 0.084 0.000 0.742 3174 A CB -0.506 18.543 19.000 0.082 0.000 0.790 3174 A HN 0.516 nan 8.150 nan 0.000 0.472 3175 M N -0.572 119.108 119.600 0.133 0.000 2.229 3175 M HA -0.027 4.453 4.480 -0.000 0.000 0.264 3175 M C 2.019 178.505 176.300 0.309 0.000 1.063 3175 M CA 1.308 56.735 55.300 0.212 0.000 1.114 3175 M CB -0.358 32.354 32.600 0.187 0.000 1.387 3175 M HN 0.356 nan 8.290 nan 0.000 0.420 3176 R N -0.291 120.378 120.500 0.282 0.000 2.115 3176 R HA -0.100 4.240 4.340 -0.000 0.000 0.230 3176 R C 2.071 178.423 176.300 0.086 0.000 1.111 3176 R CA 1.314 57.569 56.100 0.259 0.000 0.976 3176 R CB -0.169 30.249 30.300 0.196 0.000 0.870 3176 R HN 0.395 nan 8.270 nan 0.000 0.445 3177 K N -0.108 120.339 120.400 0.078 0.000 2.098 3177 K HA 0.033 4.353 4.320 -0.000 0.000 0.203 3177 K C 2.064 178.681 176.600 0.028 0.000 1.051 3177 K CA 0.589 56.903 56.287 0.044 0.000 0.957 3177 K CB 0.076 32.605 32.500 0.048 0.000 0.738 3177 K HN 0.060 nan 8.250 nan 0.000 0.447 3178 L N 0.357 121.608 121.223 0.047 0.000 2.376 3178 L HA -0.040 4.300 4.340 -0.000 0.000 0.219 3178 L C 2.174 179.042 176.870 -0.004 0.000 1.133 3178 L CA 0.618 55.483 54.840 0.042 0.000 0.816 3178 L CB -0.201 41.919 42.059 0.102 0.000 0.933 3178 L HN 0.185 nan 8.230 nan 0.000 0.449 3179 A N -0.065 122.718 122.820 -0.063 0.000 1.933 3179 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 3179 A C 2.215 179.726 177.584 -0.121 0.000 1.175 3179 A CA 1.729 53.657 52.037 -0.182 0.000 0.628 3179 A CB -0.733 18.009 19.000 -0.431 0.000 0.814 3179 A HN 0.414 nan 8.150 nan 0.000 0.444 3180 G N -1.640 107.116 108.800 -0.072 0.000 3.159 3180 G HA2 0.091 4.051 3.960 -0.000 0.000 0.232 3180 G HA3 0.091 4.051 3.960 -0.000 0.000 0.232 3180 G C 0.918 175.802 174.900 -0.026 0.000 1.116 3180 G CA 0.399 45.471 45.100 -0.047 0.000 0.767 3180 G HN 0.598 nan 8.290 nan 0.000 0.547 3181 N N -0.299 118.389 118.700 -0.019 0.000 2.373 3181 N HA 0.232 4.972 4.740 -0.000 0.000 0.181 3181 N C 1.741 177.243 175.510 -0.013 0.000 1.082 3181 N CA -0.061 52.983 53.050 -0.010 0.000 0.885 3181 N CB 0.274 38.761 38.487 -0.001 0.000 0.977 3181 N HN 0.191 nan 8.380 nan 0.000 0.462 3182 L N 0.271 121.483 121.223 -0.018 0.000 2.200 3182 L HA 0.100 4.440 4.340 -0.000 0.000 0.200 3182 L C 1.818 178.675 176.870 -0.021 0.000 1.072 3182 L CA 0.631 55.460 54.840 -0.017 0.000 0.787 3182 L CB -0.139 41.911 42.059 -0.014 0.000 0.957 3182 L HN -0.057 nan 8.230 nan 0.000 0.459 3183 K N 0.055 120.439 120.400 -0.027 0.000 2.442 3183 K HA -0.249 4.071 4.320 -0.000 0.000 0.199 3183 K C 1.963 178.552 176.600 -0.019 0.000 1.044 3183 K CA 1.059 57.331 56.287 -0.025 0.000 0.941 3183 K CB 0.079 32.561 32.500 -0.030 0.000 0.759 3183 K HN 0.182 nan 8.250 nan 0.000 0.472 3184 Q N -0.709 119.081 119.800 -0.017 0.000 2.107 3184 Q HA 0.059 4.399 4.340 -0.000 0.000 0.195 3184 Q C 1.237 177.229 176.000 -0.013 0.000 0.964 3184 Q CA 1.462 57.257 55.803 -0.013 0.000 0.833 3184 Q CB 0.344 29.075 28.738 -0.012 0.000 0.910 3184 Q HN 0.028 nan 8.270 nan 0.000 0.465 3185 S N 0.403 116.095 115.700 -0.014 0.000 2.556 3185 S HA 0.154 4.624 4.470 -0.000 0.000 0.216 3185 S C 0.260 174.850 174.600 -0.015 0.000 0.970 3185 S CA 0.391 58.583 58.200 -0.013 0.000 0.912 3185 S CB 0.029 63.221 63.200 -0.013 0.000 0.790 3185 S HN 0.514 nan 8.310 nan 0.000 0.504 3186 N N 0.842 119.532 118.700 -0.016 0.000 2.909 3186 N HA -0.157 4.583 4.740 -0.000 0.000 0.230 3186 N C -0.376 175.122 175.510 -0.020 0.000 0.869 3186 N CA 1.599 54.638 53.050 -0.018 0.000 1.071 3186 N CB -1.921 36.556 38.487 -0.017 0.000 1.040 3186 N HN 0.369 nan 8.380 nan 0.000 0.620 3187 T N 1.109 115.652 114.554 -0.019 0.000 2.777 3187 T HA 0.079 4.429 4.350 -0.000 0.000 0.273 3187 T C 0.390 175.077 174.700 -0.022 0.000 1.016 3187 T CA 0.189 62.276 62.100 -0.022 0.000 1.156 3187 T CB 0.236 69.092 68.868 -0.021 0.000 1.019 3187 T HN 0.264 nan 8.240 nan 0.000 0.503 3188 L N 4.972 126.179 121.223 -0.026 0.000 2.322 3188 L HA 0.722 5.062 4.340 -0.000 0.000 0.279 3188 L C -0.872 175.977 176.870 -0.036 0.000 1.036 3188 L CA -0.563 54.261 54.840 -0.025 0.000 0.807 3188 L CB 1.233 43.276 42.059 -0.027 0.000 1.226 3188 L HN 0.641 nan 8.230 nan 0.000 0.433 3189 L N 5.858 127.065 121.223 -0.026 0.000 2.381 3189 L HA 0.560 4.900 4.340 -0.000 0.000 0.274 3189 L C -1.182 175.661 176.870 -0.046 0.000 0.988 3189 L CA -0.411 54.387 54.840 -0.070 0.000 0.824 3189 L CB 1.792 43.816 42.059 -0.058 0.000 1.263 3189 L HN 0.617 nan 8.230 nan 0.000 0.410 3190 I N 4.085 124.581 120.570 -0.124 0.000 2.382 3190 I HA 0.315 4.485 4.170 -0.000 0.000 0.285 3190 I C -0.855 175.181 176.117 -0.135 0.000 1.007 3190 I CA -0.288 60.980 61.300 -0.053 0.000 1.142 3190 I CB 1.351 39.335 38.000 -0.026 0.000 1.289 3190 I HN 0.349 nan 8.210 nan 0.000 0.453 3191 F N 6.802 126.749 119.950 -0.004 0.000 2.399 3191 F HA 0.558 5.085 4.527 -0.000 0.000 0.334 3191 F C 0.499 176.305 175.800 0.009 0.000 1.097 3191 F CA -0.631 57.369 58.000 0.000 0.000 1.076 3191 F CB 1.321 40.327 39.000 0.010 0.000 1.162 3191 F HN 0.230 nan 8.300 nan 0.000 0.495 3192 I N 0.423 121.110 120.570 0.195 0.000 2.603 3192 I HA 0.660 4.830 4.170 -0.000 0.000 0.300 3192 I C -0.951 175.258 176.117 0.154 0.000 1.017 3192 I CA -0.756 60.633 61.300 0.147 0.000 1.098 3192 I CB 2.099 40.158 38.000 0.098 0.000 1.279 3192 I HN 0.451 nan 8.210 nan 0.000 0.437 3193 N N 2.176 120.971 118.700 0.159 0.000 2.902 3193 N HA 0.450 5.190 4.740 -0.000 0.000 0.268 3193 N C -1.477 174.100 175.510 0.112 0.000 1.450 3193 N CA -0.474 52.658 53.050 0.137 0.000 0.819 3193 N CB 2.286 40.871 38.487 0.163 0.000 1.540 3193 N HN 0.725 nan 8.380 nan 0.000 0.545 3212 G N 0.746 109.533 108.800 -0.022 0.000 2.880 3212 G HA2 0.361 4.321 3.960 -0.000 0.000 0.303 3212 G HA3 0.361 4.321 3.960 -0.000 0.000 0.303 3212 G C 0.068 174.941 174.900 -0.044 0.000 2.853 3212 G CA 0.610 45.692 45.100 -0.031 0.000 0.748 3212 G HN 0.367 nan 8.290 nan 0.000 0.349 3213 N N 1.920 120.601 118.700 -0.032 0.000 2.016 3213 N HA -0.289 4.451 4.740 -0.000 0.000 0.194 3213 N C 2.696 178.189 175.510 -0.029 0.000 1.078 3213 N CA 2.620 55.656 53.050 -0.023 0.000 0.894 3213 N CB -0.184 38.310 38.487 0.012 0.000 1.073 3213 N HN 1.013 nan 8.380 nan 0.000 0.480 3214 A N 1.303 124.120 122.820 -0.006 0.000 1.698 3214 A HA -0.337 3.983 4.320 -0.000 0.000 0.315 3214 A C 2.245 179.812 177.584 -0.028 0.000 3.574 3214 A CA 3.215 55.232 52.037 -0.033 0.000 0.952 3214 A CB -1.872 17.054 19.000 -0.123 0.000 0.759 3214 A HN 0.702 nan 8.150 nan 0.000 0.516 3215 L N -0.114 121.061 121.223 -0.082 0.000 2.119 3215 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 3215 L C 2.303 179.157 176.870 -0.027 0.000 1.093 3215 L CA 3.497 58.282 54.840 -0.090 0.000 0.806 3215 L CB -0.744 41.164 42.059 -0.252 0.000 0.902 3215 L HN 0.648 nan 8.230 nan 0.000 0.444 3216 K N -1.649 118.703 120.400 -0.079 0.000 2.148 3216 K HA -0.281 4.039 4.320 -0.000 0.000 0.213 3216 K C 1.838 178.325 176.600 -0.189 0.000 1.050 3216 K CA 2.597 58.786 56.287 -0.163 0.000 0.932 3216 K CB -0.349 31.952 32.500 -0.331 0.000 0.717 3216 K HN 0.493 nan 8.250 nan 0.000 0.462 3217 F N -1.542 118.450 119.950 0.069 0.000 2.505 3217 F HA 0.068 4.595 4.527 -0.000 0.000 0.289 3217 F C 1.706 177.628 175.800 0.204 0.000 1.101 3217 F CA 0.242 58.304 58.000 0.104 0.000 1.446 3217 F CB -0.184 38.821 39.000 0.010 0.000 1.123 3217 F HN -0.002 nan 8.300 nan 0.000 0.564 3218 Y N 0.429 120.828 120.300 0.165 0.000 2.632 3218 Y HA 0.254 4.804 4.550 -0.000 0.000 0.301 3218 Y C 1.303 177.228 175.900 0.042 0.000 1.172 3218 Y CA -0.534 57.616 58.100 0.084 0.000 1.328 3218 Y CB -0.213 38.274 38.460 0.045 0.000 1.016 3218 Y HN -0.057 nan 8.280 nan 0.000 0.529 3219 A N -0.399 122.519 122.820 0.162 0.000 2.304 3219 A HA 0.279 4.599 4.320 -0.000 0.000 0.271 3219 A C 0.956 178.559 177.584 0.032 0.000 1.091 3219 A CA -0.198 51.877 52.037 0.062 0.000 0.812 3219 A CB 0.626 19.625 19.000 -0.002 0.000 1.056 3219 A HN 0.221 nan 8.150 nan 0.000 0.489 3220 S N -0.761 114.938 115.700 -0.002 0.000 2.512 3220 S HA 0.300 4.770 4.470 -0.000 0.000 0.216 3220 S C -0.007 174.552 174.600 -0.068 0.000 1.006 3220 S CA 0.126 58.312 58.200 -0.024 0.000 0.915 3220 S CB 0.292 63.483 63.200 -0.016 0.000 0.824 3220 S HN 0.517 nan 8.310 nan 0.000 0.497 3221 V N 2.175 122.042 119.914 -0.079 0.000 2.851 3221 V HA 0.467 4.587 4.120 -0.000 0.000 0.307 3221 V C -1.180 174.827 176.094 -0.145 0.000 1.129 3221 V CA -0.760 61.467 62.300 -0.122 0.000 0.932 3221 V CB 2.281 34.047 31.823 -0.095 0.000 1.024 3221 V HN 0.129 nan 8.190 nan 0.000 0.426 3222 R N 4.366 124.735 120.500 -0.219 0.000 2.670 3222 R HA 0.710 5.050 4.340 -0.000 0.000 0.289 3222 R C -1.842 174.280 176.300 -0.297 0.000 0.965 3222 R CA -0.945 54.990 56.100 -0.275 0.000 0.899 3222 R CB 2.286 32.379 30.300 -0.345 0.000 1.173 3222 R HN 0.311 nan 8.270 nan 0.000 0.456 3223 L N 1.814 122.828 121.223 -0.349 0.000 2.362 3223 L HA 0.320 4.660 4.340 -0.000 0.000 0.275 3223 L C -0.428 176.190 176.870 -0.420 0.000 0.998 3223 L CA -0.516 54.156 54.840 -0.279 0.000 0.820 3223 L CB 1.630 43.611 42.059 -0.130 0.000 1.270 3223 L HN 0.536 nan 8.230 nan 0.000 0.415 3224 D N 3.911 124.197 120.400 -0.189 0.000 2.473 3224 D HA 0.291 4.931 4.640 -0.000 0.000 0.226 3224 D C -0.333 176.033 176.300 0.111 0.000 1.089 3224 D CA -0.151 53.905 54.000 0.093 0.000 0.883 3224 D CB 0.837 41.795 40.800 0.265 0.000 1.029 3224 D HN 0.417 nan 8.370 nan 0.000 0.517 3225 I N 2.988 123.636 120.570 0.131 0.000 2.499 3225 I HA 0.445 4.615 4.170 -0.000 0.000 0.296 3225 I C -0.320 175.842 176.117 0.075 0.000 0.992 3225 I CA -0.570 60.777 61.300 0.078 0.000 1.297 3225 I CB 0.700 38.743 38.000 0.072 0.000 1.410 3225 I HN 0.271 nan 8.210 nan 0.000 0.507 3226 R N 5.767 126.279 120.500 0.020 0.000 2.579 3226 R HA 0.300 4.640 4.340 -0.000 0.000 0.260 3226 R C -1.390 174.898 176.300 -0.020 0.000 1.103 3226 R CA -0.823 55.285 56.100 0.013 0.000 0.942 3226 R CB 1.285 31.599 30.300 0.022 0.000 1.251 3226 R HN 0.664 nan 8.270 nan 0.000 0.450 3227 R N 4.866 125.364 120.500 -0.003 0.000 2.254 3227 R HA 0.288 4.628 4.340 -0.000 0.000 0.318 3227 R C 0.480 176.780 176.300 0.001 0.000 1.031 3227 R CA -0.045 56.052 56.100 -0.004 0.000 0.905 3227 R CB 0.516 30.833 30.300 0.027 0.000 1.050 3227 R HN 0.716 nan 8.270 nan 0.000 0.456 3228 I N 0.764 121.328 120.570 -0.010 0.000 4.338 3228 I HA 0.470 4.640 4.170 -0.000 0.000 0.329 3228 I C 0.401 176.522 176.117 0.006 0.000 1.378 3228 I CA -0.180 61.119 61.300 -0.001 0.000 1.170 3228 I CB 1.428 39.423 38.000 -0.009 0.000 1.206 3228 I HN 0.669 nan 8.210 nan 0.000 0.432 3229 G N 1.331 110.138 108.800 0.011 0.000 2.691 3229 G HA2 0.718 4.678 3.960 -0.000 0.000 0.169 3229 G HA3 0.718 4.678 3.960 -0.000 0.000 0.169 3229 G C -0.187 174.728 174.900 0.025 0.000 1.638 3229 G CA 0.127 45.237 45.100 0.016 0.000 0.822 3229 G HN 1.057 nan 8.290 nan 0.000 0.768 3230 A N -1.616 121.224 122.820 0.034 0.000 2.425 3230 A HA 0.356 4.676 4.320 -0.000 0.000 0.683 3230 A C -0.938 176.659 177.584 0.020 0.000 0.139 3230 A CA -0.213 51.843 52.037 0.032 0.000 0.044 3230 A CB -0.933 18.073 19.000 0.009 0.000 3.957 3230 A HN 1.549 nan 8.150 nan 0.000 0.546 3231 V N 3.464 123.391 119.914 0.021 0.000 2.370 3231 V HA 0.547 4.667 4.120 -0.000 0.000 0.279 3231 V C 0.490 176.574 176.094 -0.016 0.000 1.029 3231 V CA -0.343 61.968 62.300 0.019 0.000 0.870 3231 V CB 1.405 33.259 31.823 0.051 0.000 0.984 3231 V HN 0.817 nan 8.190 nan 0.000 0.451 3232 K N 2.886 123.279 120.400 -0.012 0.000 2.118 3232 K HA 0.582 4.902 4.320 -0.000 0.000 0.254 3232 K C -0.274 176.319 176.600 -0.012 0.000 0.961 3232 K CA -0.607 55.666 56.287 -0.024 0.000 0.876 3232 K CB 1.868 34.355 32.500 -0.021 0.000 1.077 3232 K HN 0.640 nan 8.250 nan 0.000 0.440 3233 E N 1.020 121.210 120.200 -0.017 0.000 3.406 3233 E HA 0.167 4.517 4.350 -0.000 0.000 0.210 3233 E C 0.179 176.773 176.600 -0.011 0.000 1.167 3233 E CA -0.191 56.205 56.400 -0.007 0.000 1.132 3233 E CB 0.717 30.415 29.700 -0.004 0.000 1.309 3233 E HN 0.948 nan 8.360 nan 0.000 0.424 3234 G N 1.787 110.580 108.800 -0.011 0.000 4.365 3234 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.214 3234 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.214 3234 G C 0.848 175.738 174.900 -0.017 0.000 1.450 3234 G CA 0.296 45.388 45.100 -0.013 0.000 0.937 3234 G HN 0.447 nan 8.290 nan 0.000 0.625 3235 E N 0.936 121.124 120.200 -0.020 0.000 2.665 3235 E HA 0.109 4.459 4.350 -0.000 0.000 0.225 3235 E C -0.098 176.482 176.600 -0.034 0.000 0.922 3235 E CA 0.013 56.399 56.400 -0.024 0.000 1.242 3235 E CB 0.529 30.217 29.700 -0.020 0.000 1.197 3235 E HN 0.690 nan 8.360 nan 0.000 0.581 3236 N N 1.289 119.964 118.700 -0.041 0.000 2.419 3236 N HA 0.162 4.902 4.740 -0.000 0.000 0.277 3236 N C -0.061 175.395 175.510 -0.091 0.000 1.006 3236 N CA -0.407 52.607 53.050 -0.060 0.000 0.923 3236 N CB 2.187 40.642 38.487 -0.054 0.000 1.140 3236 N HN -0.200 nan 8.380 nan 0.000 0.488 3237 V N 0.614 120.452 119.914 -0.126 0.000 2.266 3237 V HA 0.070 4.190 4.120 -0.000 0.000 0.240 3237 V C 0.689 176.572 176.094 -0.351 0.000 1.225 3237 V CA -0.141 62.036 62.300 -0.204 0.000 1.237 3237 V CB -0.037 31.667 31.823 -0.197 0.000 1.343 3237 V HN 0.592 nan 8.190 nan 0.000 0.496 3238 V N 3.711 123.463 119.914 -0.270 0.000 3.483 3238 V HA 0.673 4.793 4.120 -0.000 0.000 0.301 3238 V C 1.033 177.001 176.094 -0.209 0.000 1.389 3238 V CA 0.976 63.112 62.300 -0.272 0.000 1.101 3238 V CB 0.062 31.833 31.823 -0.086 0.000 0.971 3238 V HN 0.958 nan 8.190 nan 0.000 0.434 3239 G N -1.000 107.674 108.800 -0.211 0.000 2.727 3239 G HA2 0.604 4.564 3.960 -0.000 0.000 0.289 3239 G HA3 0.604 4.564 3.960 -0.000 0.000 0.289 3239 G C -1.367 173.694 174.900 0.268 0.000 1.418 3239 G CA -0.397 44.785 45.100 0.136 0.000 0.818 3239 G HN 0.081 nan 8.290 nan 0.000 0.486 3240 S N -0.247 115.638 115.700 0.308 0.000 2.750 3240 S HA 0.355 4.825 4.470 -0.000 0.000 0.276 3240 S C -0.925 173.729 174.600 0.091 0.000 1.165 3240 S CA -0.545 57.780 58.200 0.209 0.000 1.047 3240 S CB 1.739 65.081 63.200 0.237 0.000 1.056 3240 S HN 0.639 nan 8.310 nan 0.000 0.481 3241 E N 2.167 122.392 120.200 0.043 0.000 2.324 3241 E HA 0.398 4.748 4.350 -0.000 0.000 0.271 3241 E C -0.601 175.944 176.600 -0.093 0.000 1.028 3241 E CA 0.332 56.722 56.400 -0.016 0.000 0.890 3241 E CB 0.540 30.240 29.700 0.000 0.000 1.004 3241 E HN 0.459 nan 8.360 nan 0.000 0.431 3242 T N 5.253 119.662 114.554 -0.241 0.000 2.861 3242 T HA 0.521 4.871 4.350 -0.000 0.000 0.287 3242 T C -0.455 173.975 174.700 -0.451 0.000 1.003 3242 T CA -0.840 61.035 62.100 -0.374 0.000 0.977 3242 T CB 1.195 69.723 68.868 -0.568 0.000 0.996 3242 T HN 0.295 nan 8.240 nan 0.000 0.448 3243 R N 1.737 122.081 120.500 -0.259 0.000 2.480 3243 R HA 0.654 4.994 4.340 -0.000 0.000 0.306 3243 R C -1.486 174.759 176.300 -0.092 0.000 0.958 3243 R CA -0.654 55.352 56.100 -0.157 0.000 0.861 3243 R CB 2.098 32.362 30.300 -0.059 0.000 1.171 3243 R HN 0.379 nan 8.270 nan 0.000 0.445 3244 V N 4.389 124.279 119.914 -0.040 0.000 2.409 3244 V HA 0.305 4.425 4.120 -0.000 0.000 0.291 3244 V C -0.159 175.964 176.094 0.048 0.000 1.020 3244 V CA -0.724 61.595 62.300 0.032 0.000 0.848 3244 V CB 1.858 33.746 31.823 0.108 0.000 0.990 3244 V HN 0.545 nan 8.190 nan 0.000 0.430 3245 K N 3.326 123.753 120.400 0.044 0.000 2.183 3245 K HA 0.512 4.832 4.320 -0.000 0.000 0.274 3245 K C -0.739 175.861 176.600 -0.001 0.000 1.009 3245 K CA -0.599 55.717 56.287 0.049 0.000 0.888 3245 K CB 2.137 34.691 32.500 0.089 0.000 1.078 3245 K HN 0.410 nan 8.250 nan 0.000 0.459 3246 V N 5.333 125.236 119.914 -0.018 0.000 2.370 3246 V HA -0.031 4.089 4.120 -0.000 0.000 0.257 3246 V C 1.149 177.146 176.094 -0.162 0.000 1.064 3246 V CA 0.119 62.362 62.300 -0.096 0.000 0.975 3246 V CB 0.737 32.506 31.823 -0.091 0.000 1.067 3246 V HN 0.618 nan 8.190 nan 0.000 0.485 3247 V N 3.751 123.546 119.914 -0.199 0.000 2.436 3247 V HA 0.144 4.264 4.120 -0.000 0.000 0.240 3247 V C 0.992 176.810 176.094 -0.460 0.000 1.040 3247 V CA 0.673 62.856 62.300 -0.195 0.000 1.052 3247 V CB -0.278 31.510 31.823 -0.058 0.000 0.707 3247 V HN 0.660 nan 8.190 nan 0.000 0.469 3248 K N 1.746 121.868 120.400 -0.464 0.000 2.307 3248 K HA 0.376 4.696 4.320 -0.000 0.000 0.263 3248 K C -1.068 175.309 176.600 -0.372 0.000 0.973 3248 K CA -0.377 55.569 56.287 -0.569 0.000 0.846 3248 K CB 0.797 32.872 32.500 -0.710 0.000 1.100 3248 K HN 0.216 nan 8.250 nan 0.000 0.438 3249 N N 4.005 122.507 118.700 -0.330 0.000 2.690 3249 N HA 0.130 4.870 4.740 -0.000 0.000 0.255 3249 N C -1.067 174.367 175.510 -0.127 0.000 1.195 3249 N CA -0.296 52.631 53.050 -0.205 0.000 0.790 3249 N CB 0.912 39.280 38.487 -0.200 0.000 1.216 3249 N HN 0.512 nan 8.380 nan 0.000 0.528 3250 K N 2.352 122.699 120.400 -0.088 0.000 2.862 3250 K HA 0.214 4.534 4.320 -0.000 0.000 0.229 3250 K C 0.432 177.017 176.600 -0.025 0.000 1.107 3250 K CA -0.006 56.261 56.287 -0.034 0.000 1.222 3250 K CB 0.447 32.943 32.500 -0.006 0.000 1.067 3250 K HN 0.412 nan 8.250 nan 0.000 0.464 3251 I N -0.929 119.619 120.570 -0.037 0.000 4.338 3251 I HA 0.140 4.310 4.170 -0.000 0.000 0.315 3251 I C 0.310 176.416 176.117 -0.019 0.000 1.262 3251 I CA 0.157 61.442 61.300 -0.026 0.000 1.298 3251 I CB 0.916 38.896 38.000 -0.033 0.000 1.257 3251 I HN 0.086 nan 8.210 nan 0.000 0.444 3252 A N -0.183 122.622 122.820 -0.025 0.000 4.642 3252 A HA 0.838 5.158 4.320 -0.000 0.000 0.248 3252 A C -0.911 176.664 177.584 -0.015 0.000 0.987 3252 A CA -0.028 52.002 52.037 -0.013 0.000 0.622 3252 A CB -0.513 18.480 19.000 -0.012 0.000 1.769 3252 A HN 0.092 nan 8.150 nan 0.000 0.864 3253 A N 1.265 124.083 122.820 -0.003 0.000 2.491 3253 A HA 0.596 4.916 4.320 -0.000 0.000 0.261 3253 A C -2.411 175.157 177.584 -0.027 0.000 1.101 3253 A CA -0.746 51.297 52.037 0.010 0.000 0.772 3253 A CB -0.794 18.225 19.000 0.032 0.000 1.043 3253 A HN 0.374 nan 8.150 nan 0.000 0.501 3254 P HA 0.565 nan 4.420 nan 0.000 0.284 3254 P C -0.119 177.123 177.300 -0.097 0.000 1.292 3254 P CA -0.568 62.380 63.100 -0.255 0.000 0.800 3254 P CB 0.053 31.418 31.700 -0.559 0.000 1.188 3255 F N -4.155 115.801 119.950 0.011 0.000 3.006 3255 F HA -0.242 4.285 4.527 -0.000 0.000 0.289 3255 F C 0.518 176.325 175.800 0.012 0.000 0.772 3255 F CA 0.898 58.907 58.000 0.014 0.000 1.162 3255 F CB -2.251 36.756 39.000 0.011 0.000 1.382 3255 F HN 0.183 nan 8.300 nan 0.000 0.406 3256 K N 1.149 121.614 120.400 0.108 0.000 2.098 3256 K HA 0.575 4.895 4.320 -0.000 0.000 0.261 3256 K C 0.348 176.988 176.600 0.067 0.000 0.987 3256 K CA -0.625 55.711 56.287 0.082 0.000 0.916 3256 K CB 1.592 34.124 32.500 0.054 0.000 1.039 3256 K HN 0.427 nan 8.250 nan 0.000 0.455 3257 Q N -0.109 119.732 119.800 0.069 0.000 2.451 3257 Q HA 0.775 5.115 4.340 -0.000 0.000 0.281 3257 Q C -1.766 174.279 176.000 0.074 0.000 1.099 3257 Q CA -1.234 54.610 55.803 0.068 0.000 0.806 3257 Q CB 2.240 31.020 28.738 0.069 0.000 1.419 3257 Q HN 0.559 nan 8.270 nan 0.000 0.427 3258 A N 1.412 124.286 122.820 0.091 0.000 2.455 3258 A HA 0.599 4.918 4.320 -0.000 0.000 0.300 3258 A C -1.431 176.235 177.584 0.136 0.000 1.040 3258 A CA -0.766 51.351 52.037 0.133 0.000 0.697 3258 A CB 1.774 20.879 19.000 0.175 0.000 1.265 3258 A HN 0.761 nan 8.150 nan 0.000 0.407 3259 E N 0.776 121.058 120.200 0.137 0.000 2.227 3259 E HA 0.788 5.138 4.350 -0.000 0.000 0.268 3259 E C -1.228 175.484 176.600 0.187 0.000 0.907 3259 E CA -0.550 55.871 56.400 0.036 0.000 0.786 3259 E CB 2.271 31.982 29.700 0.018 0.000 1.191 3259 E HN 0.730 nan 8.360 nan 0.000 0.411 3260 F N -2.139 117.834 119.950 0.038 0.000 2.807 3260 F HA 0.302 4.829 4.527 -0.000 0.000 0.316 3260 F C -1.392 174.439 175.800 0.053 0.000 1.162 3260 F CA -1.276 56.749 58.000 0.042 0.000 0.910 3260 F CB 0.902 39.920 39.000 0.029 0.000 1.314 3260 F HN 0.174 nan 8.300 nan 0.000 0.454 3261 Q N 1.847 121.848 119.800 0.334 0.000 2.261 3261 Q HA 0.619 4.959 4.340 -0.000 0.000 0.252 3261 Q C -0.973 175.225 176.000 0.330 0.000 0.915 3261 Q CA -0.519 55.426 55.803 0.238 0.000 0.915 3261 Q CB 2.300 31.153 28.738 0.191 0.000 1.204 3261 Q HN 0.585 nan 8.270 nan 0.000 0.421 3262 I N 3.782 124.502 120.570 0.249 0.000 2.354 3262 I HA 0.184 4.354 4.170 -0.000 0.000 0.286 3262 I C -0.911 175.353 176.117 0.245 0.000 1.007 3262 I CA -0.744 60.700 61.300 0.240 0.000 1.167 3262 I CB 0.900 39.010 38.000 0.182 0.000 1.320 3262 I HN 0.327 nan 8.210 nan 0.000 0.458 3263 L N 7.234 128.595 121.223 0.230 0.000 2.265 3263 L HA 0.272 4.612 4.340 -0.000 0.000 0.288 3263 L C -0.374 176.684 176.870 0.315 0.000 1.058 3263 L CA -0.081 54.923 54.840 0.274 0.000 0.809 3263 L CB 0.242 42.422 42.059 0.200 0.000 1.179 3263 L HN 0.329 nan 8.230 nan 0.000 0.429 3264 Y N 3.809 124.179 120.300 0.117 0.000 2.802 3264 Y HA 0.186 4.736 4.550 -0.000 0.000 0.351 3264 Y C 1.540 177.526 175.900 0.143 0.000 1.237 3264 Y CA 0.715 58.892 58.100 0.128 0.000 1.599 3264 Y CB 0.079 38.565 38.460 0.042 0.000 1.214 3264 Y HN 0.870 nan 8.280 nan 0.000 0.520 3265 G N 2.577 111.609 108.800 0.387 0.000 2.132 3265 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.228 3265 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.228 3265 G C 0.422 175.452 174.900 0.216 0.000 1.000 3265 G CA 0.442 45.746 45.100 0.341 0.000 0.693 3265 G HN 0.659 nan 8.290 nan 0.000 0.515 3266 E N -1.544 118.769 120.200 0.188 0.000 2.879 3266 E HA 0.454 4.804 4.350 -0.000 0.000 0.206 3266 E C 1.242 177.894 176.600 0.087 0.000 0.969 3266 E CA 1.151 57.627 56.400 0.126 0.000 1.496 3266 E CB 0.645 30.423 29.700 0.131 0.000 1.454 3266 E HN 1.695 nan 8.360 nan 0.000 0.750 3267 G N 1.048 109.907 108.800 0.099 0.000 2.306 3267 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.262 3267 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.262 3267 G C -0.532 174.411 174.900 0.071 0.000 1.263 3267 G CA -0.387 44.740 45.100 0.045 0.000 1.088 3267 G HN 0.151 nan 8.290 nan 0.000 0.489 3268 I N 0.842 121.420 120.570 0.013 0.000 3.045 3268 I HA 0.042 4.212 4.170 -0.000 0.000 0.288 3268 I C 0.553 176.694 176.117 0.041 0.000 1.238 3268 I CA -0.040 61.262 61.300 0.004 0.000 1.396 3268 I CB 0.389 38.271 38.000 -0.197 0.000 1.355 3268 I HN 0.416 nan 8.210 nan 0.000 0.601 3269 N N 4.300 123.053 118.700 0.088 0.000 3.105 3269 N HA 0.079 4.819 4.740 -0.000 0.000 0.256 3269 N C 0.685 176.282 175.510 0.145 0.000 1.174 3269 N CA -0.242 52.898 53.050 0.151 0.000 1.030 3269 N CB -0.111 38.492 38.487 0.194 0.000 1.305 3269 N HN 0.461 nan 8.380 nan 0.000 0.509 3270 F N 1.806 121.682 119.950 -0.122 0.000 2.060 3270 F HA -0.374 4.153 4.527 0.000 0.000 0.293 3270 F C 0.940 176.576 175.800 -0.274 0.000 1.096 3270 F CA 2.084 59.899 58.000 -0.308 0.000 1.241 3270 F CB -0.485 38.159 39.000 -0.594 0.000 0.959 3270 F HN 0.498 nan 8.300 nan 0.000 0.499 3271 Y N -0.954 119.469 120.300 0.206 0.000 2.365 3271 Y HA 0.148 4.698 4.550 -0.000 0.000 0.293 3271 Y C 2.579 178.520 175.900 0.069 0.000 1.119 3271 Y CA 0.613 58.751 58.100 0.064 0.000 1.203 3271 Y CB -1.264 37.198 38.460 0.004 0.000 1.026 3271 Y HN 0.070 nan 8.280 nan 0.000 0.549 3272 G N 1.189 110.138 108.800 0.248 0.000 2.639 3272 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.216 3272 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.216 3272 G C 1.448 176.428 174.900 0.134 0.000 1.267 3272 G CA 1.420 46.625 45.100 0.176 0.000 0.801 3272 G HN 0.577 nan 8.290 nan 0.000 0.592 3273 E N 0.199 120.478 120.200 0.132 0.000 2.265 3273 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 3273 E C 2.338 178.983 176.600 0.075 0.000 0.996 3273 E CA 0.748 57.212 56.400 0.106 0.000 0.832 3273 E CB -0.240 29.516 29.700 0.093 0.000 0.756 3273 E HN 0.350 nan 8.360 nan 0.000 0.491 3274 L N 1.674 122.947 121.223 0.084 0.000 2.005 3274 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 3274 L C 2.333 179.220 176.870 0.028 0.000 1.072 3274 L CA 1.277 56.155 54.840 0.063 0.000 0.744 3274 L CB -0.765 41.336 42.059 0.070 0.000 0.895 3274 L HN 0.053 nan 8.230 nan 0.000 0.433 3275 V N 0.510 120.434 119.914 0.017 0.000 2.222 3275 V HA -0.415 3.705 4.120 -0.000 0.000 0.252 3275 V C 2.421 178.460 176.094 -0.092 0.000 1.060 3275 V CA 2.270 64.522 62.300 -0.081 0.000 1.027 3275 V CB -0.986 30.750 31.823 -0.145 0.000 0.644 3275 V HN 0.446 nan 8.190 nan 0.000 0.448 3276 D N -0.361 120.013 120.400 -0.043 0.000 2.149 3276 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 3276 D C 1.986 178.296 176.300 0.016 0.000 1.001 3276 D CA 1.325 55.322 54.000 -0.004 0.000 0.849 3276 D CB -0.301 40.524 40.800 0.042 0.000 0.939 3276 D HN 0.260 nan 8.370 nan 0.000 0.449 3277 L N 0.644 121.882 121.223 0.024 0.000 2.017 3277 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 3277 L C 2.623 179.510 176.870 0.028 0.000 1.073 3277 L CA 1.759 56.618 54.840 0.032 0.000 0.745 3277 L CB -1.372 40.707 42.059 0.034 0.000 0.894 3277 L HN 0.073 nan 8.230 nan 0.000 0.432 3278 G N -1.419 107.390 108.800 0.016 0.000 2.501 3278 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 3278 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 3278 G C 1.589 176.508 174.900 0.032 0.000 1.114 3278 G CA 1.011 46.124 45.100 0.022 0.000 0.757 3278 G HN 0.291 nan 8.290 nan 0.000 0.559 3279 V N 0.180 120.106 119.914 0.019 0.000 2.346 3279 V HA -0.005 4.115 4.120 -0.000 0.000 0.244 3279 V C 2.499 178.631 176.094 0.063 0.000 1.037 3279 V CA 1.918 64.247 62.300 0.049 0.000 1.029 3279 V CB -0.232 31.625 31.823 0.056 0.000 0.663 3279 V HN 0.352 nan 8.190 nan 0.000 0.454 3280 K N -0.137 120.295 120.400 0.053 0.000 2.486 3280 K HA -0.043 4.277 4.320 -0.000 0.000 0.194 3280 K C 0.717 177.345 176.600 0.047 0.000 1.033 3280 K CA 0.578 56.896 56.287 0.052 0.000 1.004 3280 K CB 0.226 32.755 32.500 0.048 0.000 0.798 3280 K HN 0.326 nan 8.250 nan 0.000 0.495 3281 E N 1.182 121.411 120.200 0.048 0.000 2.723 3281 E HA 0.040 4.390 4.350 -0.000 0.000 0.219 3281 E C -0.440 176.193 176.600 0.056 0.000 1.060 3281 E CA -0.126 56.303 56.400 0.048 0.000 1.291 3281 E CB 0.802 30.529 29.700 0.045 0.000 1.265 3281 E HN 0.113 nan 8.360 nan 0.000 0.438 3282 K N -0.448 119.987 120.400 0.058 0.000 3.184 3282 K HA -0.234 4.086 4.320 -0.000 0.000 0.301 3282 K C 1.139 177.785 176.600 0.076 0.000 1.170 3282 K CA 0.676 56.999 56.287 0.061 0.000 0.897 3282 K CB -1.970 30.557 32.500 0.046 0.000 1.218 3282 K HN 0.303 nan 8.250 nan 0.000 0.441 3283 L N -0.235 121.046 121.223 0.097 0.000 2.162 3283 L HA 0.128 4.468 4.340 -0.000 0.000 0.205 3283 L C 1.147 178.152 176.870 0.225 0.000 1.086 3283 L CA 0.810 55.743 54.840 0.155 0.000 0.778 3283 L CB 0.102 42.258 42.059 0.161 0.000 0.928 3283 L HN 0.104 nan 8.230 nan 0.000 0.446 3284 I N -0.900 119.763 120.570 0.155 0.000 2.474 3284 I HA 0.246 4.416 4.170 -0.000 0.000 0.294 3284 I C -0.666 175.538 176.117 0.145 0.000 1.005 3284 I CA -0.526 60.867 61.300 0.155 0.000 1.113 3284 I CB 1.950 39.977 38.000 0.045 0.000 1.289 3284 I HN -0.077 nan 8.210 nan 0.000 0.436 3285 E N 4.848 125.147 120.200 0.166 0.000 2.151 3285 E HA 0.321 4.671 4.350 -0.000 0.000 0.275 3285 E C -0.834 175.888 176.600 0.205 0.000 0.936 3285 E CA -0.928 55.562 56.400 0.150 0.000 0.777 3285 E CB 1.963 31.719 29.700 0.093 0.000 1.108 3285 E HN 0.318 nan 8.360 nan 0.000 0.401 3286 K N 2.046 122.559 120.400 0.188 0.000 2.310 3286 K HA 0.305 4.625 4.320 -0.000 0.000 0.290 3286 K C -0.655 175.982 176.600 0.062 0.000 1.077 3286 K CA -0.179 56.194 56.287 0.143 0.000 0.922 3286 K CB 0.517 33.110 32.500 0.155 0.000 1.057 3286 K HN 0.596 nan 8.250 nan 0.000 0.479 3287 A N 4.182 127.030 122.820 0.047 0.000 3.293 3287 A HA 0.401 4.721 4.320 -0.000 0.000 0.282 3287 A C 0.914 178.533 177.584 0.059 0.000 1.394 3287 A CA 0.194 52.275 52.037 0.074 0.000 1.118 3287 A CB -0.392 18.679 19.000 0.118 0.000 1.133 3287 A HN 1.071 nan 8.150 nan 0.000 0.627 3288 G N 0.690 109.483 108.800 -0.011 0.000 4.766 3288 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.314 3288 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.314 3288 G C 1.436 176.233 174.900 -0.171 0.000 1.427 3288 G CA 0.890 45.956 45.100 -0.058 0.000 1.024 3288 G HN 1.730 nan 8.290 nan 0.000 0.754 3289 A N -0.722 121.958 122.820 -0.233 0.000 2.197 3289 A HA 0.529 4.849 4.320 -0.000 0.000 0.210 3289 A C 0.783 178.046 177.584 -0.534 0.000 1.180 3289 A CA 0.549 52.343 52.037 -0.406 0.000 0.846 3289 A CB 0.043 18.781 19.000 -0.436 0.000 0.884 3289 A HN 0.582 nan 8.150 nan 0.000 0.487 3290 W N -0.699 120.413 121.300 -0.314 0.000 2.315 3290 W HA 0.511 5.170 4.660 -0.000 0.000 0.316 3290 W C -0.569 175.746 176.519 -0.341 0.000 1.211 3290 W CA -0.118 57.070 57.345 -0.262 0.000 1.201 3290 W CB 0.402 29.781 29.460 -0.135 0.000 1.184 3290 W HN 0.210 nan 8.180 nan 0.000 0.544 3291 Y N 2.249 122.683 120.300 0.223 0.000 2.335 3291 Y HA 0.416 4.966 4.550 -0.000 0.000 0.338 3291 Y C 0.403 176.316 175.900 0.021 0.000 0.977 3291 Y CA -0.719 57.427 58.100 0.077 0.000 1.114 3291 Y CB 1.570 40.029 38.460 -0.003 0.000 1.182 3291 Y HN 0.179 nan 8.280 nan 0.000 0.463 3292 S N 2.615 118.430 115.700 0.192 0.000 2.532 3292 S HA 0.456 4.926 4.470 -0.000 0.000 0.301 3292 S C -1.908 172.771 174.600 0.132 0.000 1.083 3292 S CA -0.739 57.511 58.200 0.084 0.000 1.025 3292 S CB 1.513 64.738 63.200 0.042 0.000 1.056 3292 S HN 0.516 nan 8.310 nan 0.000 0.494 3293 Y N 2.044 122.297 120.300 -0.079 0.000 2.344 3293 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 3293 Y C -0.117 175.773 175.900 -0.017 0.000 1.067 3293 Y CA -0.879 57.192 58.100 -0.049 0.000 1.247 3293 Y CB 0.359 38.774 38.460 -0.074 0.000 1.113 3293 Y HN 0.839 nan 8.280 nan 0.000 0.465 3294 K N 4.425 124.594 120.400 -0.385 0.000 3.125 3294 K HA -0.206 4.114 4.320 -0.000 0.000 0.268 3294 K C 0.920 177.430 176.600 -0.151 0.000 1.078 3294 K CA 0.989 57.083 56.287 -0.322 0.000 0.775 3294 K CB -1.395 30.841 32.500 -0.440 0.000 1.253 3294 K HN 1.393 nan 8.250 nan 0.000 0.486 3295 G N -0.320 108.420 108.800 -0.099 0.000 2.220 3295 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.269 3295 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.269 3295 G C -0.072 174.784 174.900 -0.073 0.000 0.977 3295 G CA 0.805 45.860 45.100 -0.076 0.000 0.634 3295 G HN 0.478 nan 8.290 nan 0.000 0.539 3296 E N 1.004 121.170 120.200 -0.056 0.000 2.249 3296 E HA 0.301 4.651 4.350 -0.000 0.000 0.280 3296 E C 0.105 176.671 176.600 -0.056 0.000 1.016 3296 E CA -0.631 55.748 56.400 -0.036 0.000 0.830 3296 E CB 0.575 30.289 29.700 0.023 0.000 1.081 3296 E HN 0.116 nan 8.360 nan 0.000 0.395 3297 K N 3.711 124.056 120.400 -0.091 0.000 2.339 3297 K HA 0.143 4.463 4.320 -0.000 0.000 0.286 3297 K C 0.957 177.473 176.600 -0.139 0.000 1.050 3297 K CA 0.151 56.368 56.287 -0.116 0.000 0.956 3297 K CB 0.628 33.019 32.500 -0.182 0.000 0.990 3297 K HN 0.548 nan 8.250 nan 0.000 0.475 3298 I N -2.000 118.425 120.570 -0.242 0.000 4.530 3298 I HA 0.339 4.509 4.170 -0.000 0.000 0.318 3298 I C 0.641 176.449 176.117 -0.515 0.000 1.257 3298 I CA -0.279 60.582 61.300 -0.732 0.000 1.301 3298 I CB 1.224 38.411 38.000 -1.355 0.000 1.297 3298 I HN 0.450 nan 8.210 nan 0.000 0.451 3299 G N 1.205 109.954 108.800 -0.085 0.000 2.702 3299 G HA2 0.453 4.413 3.960 -0.000 0.000 0.296 3299 G HA3 0.453 4.413 3.960 -0.000 0.000 0.296 3299 G C -2.197 172.808 174.900 0.175 0.000 1.463 3299 G CA -0.453 44.698 45.100 0.084 0.000 0.890 3299 G HN 0.158 nan 8.290 nan 0.000 0.534 3300 Q N 0.417 120.227 119.800 0.017 0.000 2.333 3300 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 3300 Q C 0.220 176.113 176.000 -0.179 0.000 1.007 3300 Q CA 0.170 55.800 55.803 -0.288 0.000 0.810 3300 Q CB 1.498 29.829 28.738 -0.677 0.000 1.264 3300 Q HN 2.114 nan 8.270 nan 0.000 0.452 3301 G N 3.460 112.137 108.800 -0.204 0.000 3.285 3301 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.685 3301 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.685 3301 G C 0.252 175.239 174.900 0.145 0.000 0.938 3301 G CA 0.157 45.217 45.100 -0.066 0.000 0.778 3301 G HN 0.847 nan 8.290 nan 0.000 0.515 3302 K N 1.997 122.565 120.400 0.281 0.000 2.127 3302 K HA -0.228 4.092 4.320 -0.000 0.000 0.212 3302 K C 2.901 179.603 176.600 0.169 0.000 1.050 3302 K CA 2.797 59.289 56.287 0.341 0.000 0.929 3302 K CB -0.358 32.279 32.500 0.228 0.000 0.715 3302 K HN 1.471 nan 8.250 nan 0.000 0.457 3303 A N 1.933 124.823 122.820 0.116 0.000 1.877 3303 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 3303 A C 1.807 179.446 177.584 0.091 0.000 1.301 3303 A CA 2.408 54.494 52.037 0.083 0.000 0.699 3303 A CB -1.277 17.753 19.000 0.051 0.000 0.844 3303 A HN 0.629 nan 8.150 nan 0.000 0.464 3304 N N 0.079 118.832 118.700 0.088 0.000 2.364 3304 N HA -0.083 4.657 4.740 -0.000 0.000 0.183 3304 N C 1.893 177.491 175.510 0.147 0.000 1.022 3304 N CA 1.126 54.238 53.050 0.102 0.000 0.883 3304 N CB -0.305 38.231 38.487 0.081 0.000 0.965 3304 N HN 0.581 nan 8.380 nan 0.000 0.438 3305 A N 1.311 124.221 122.820 0.149 0.000 1.877 3305 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 3305 A C 2.394 180.054 177.584 0.127 0.000 1.186 3305 A CA 1.725 53.832 52.037 0.117 0.000 0.620 3305 A CB -0.970 18.067 19.000 0.061 0.000 0.822 3305 A HN 0.238 nan 8.150 nan 0.000 0.443 3306 T N 0.842 115.453 114.554 0.094 0.000 2.496 3306 T HA -0.089 4.261 4.350 -0.000 0.000 0.254 3306 T C 2.100 176.835 174.700 0.059 0.000 1.161 3306 T CA 1.855 64.008 62.100 0.088 0.000 1.231 3306 T CB -0.908 68.015 68.868 0.092 0.000 0.866 3306 T HN 0.688 nan 8.240 nan 0.000 0.396 3307 A N -0.206 122.638 122.820 0.040 0.000 2.285 3307 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 3307 A C 1.823 179.402 177.584 -0.007 0.000 1.188 3307 A CA 1.262 53.282 52.037 -0.027 0.000 0.707 3307 A CB -1.227 17.774 19.000 0.001 0.000 0.771 3307 A HN 0.737 nan 8.150 nan 0.000 0.488 3308 W N -0.160 121.075 121.300 -0.109 0.000 2.463 3308 W HA -0.027 4.633 4.660 -0.000 0.000 0.316 3308 W C 1.678 178.093 176.519 -0.173 0.000 1.170 3308 W CA 1.593 58.877 57.345 -0.102 0.000 1.355 3308 W CB -0.403 29.030 29.460 -0.044 0.000 1.159 3308 W HN 0.211 nan 8.180 nan 0.000 0.487 3309 L N 1.213 122.503 121.223 0.111 0.000 2.189 3309 L HA -0.277 4.063 4.340 -0.000 0.000 0.214 3309 L C 2.438 178.969 176.870 -0.564 0.000 1.097 3309 L CA 1.629 56.379 54.840 -0.151 0.000 0.764 3309 L CB -0.798 41.312 42.059 0.085 0.000 0.900 3309 L HN 0.060 nan 8.230 nan 0.000 0.436 3310 K N 0.031 119.983 120.400 -0.747 0.000 2.147 3310 K HA -0.186 4.134 4.320 -0.000 0.000 0.205 3310 K C 0.897 177.173 176.600 -0.540 0.000 1.049 3310 K CA 1.523 57.235 56.287 -0.957 0.000 0.936 3310 K CB 0.108 32.232 32.500 -0.627 0.000 0.722 3310 K HN 0.223 nan 8.250 nan 0.000 0.446 3311 D N -0.406 119.707 120.400 -0.479 0.000 2.363 3311 D HA 0.068 4.708 4.640 -0.000 0.000 0.214 3311 D C -0.557 175.466 176.300 -0.461 0.000 1.093 3311 D CA 0.187 53.946 54.000 -0.401 0.000 0.837 3311 D CB 0.409 40.998 40.800 -0.351 0.000 0.948 3311 D HN 0.115 nan 8.370 nan 0.000 0.507 3312 N N 0.369 118.746 118.700 -0.538 0.000 2.642 3312 N HA 0.108 4.848 4.740 -0.000 0.000 0.308 3312 N C -2.119 173.214 175.510 -0.295 0.000 1.914 3312 N CA -0.905 51.854 53.050 -0.484 0.000 0.893 3312 N CB 1.560 39.560 38.487 -0.811 0.000 1.322 3312 N HN -0.005 nan 8.380 nan 0.000 0.490 3313 P HA -0.190 nan 4.420 nan 0.000 0.216 3313 P C 1.468 178.709 177.300 -0.098 0.000 1.154 3313 P CA 1.364 64.391 63.100 -0.122 0.000 0.865 3313 P CB 0.475 32.121 31.700 -0.091 0.000 0.789 3314 E N -0.563 119.581 120.200 -0.093 0.000 2.026 3314 E HA -0.199 4.151 4.350 -0.000 0.000 0.206 3314 E C 1.859 178.437 176.600 -0.036 0.000 1.028 3314 E CA 2.365 58.732 56.400 -0.055 0.000 0.845 3314 E CB -1.530 28.144 29.700 -0.045 0.000 0.772 3314 E HN 0.382 nan 8.360 nan 0.000 0.462 3315 T N -1.213 113.315 114.554 -0.042 0.000 3.163 3315 T HA 0.254 4.604 4.350 -0.000 0.000 0.260 3315 T C 1.621 176.293 174.700 -0.046 0.000 1.156 3315 T CA 0.775 62.880 62.100 0.008 0.000 1.072 3315 T CB 0.166 69.089 68.868 0.092 0.000 0.937 3315 T HN 0.211 nan 8.240 nan 0.000 0.528 3316 A N 2.445 125.224 122.820 -0.069 0.000 1.864 3316 A HA 0.245 4.565 4.320 -0.000 0.000 0.213 3316 A C 2.279 179.827 177.584 -0.059 0.000 1.266 3316 A CA 0.623 52.627 52.037 -0.055 0.000 0.612 3316 A CB -0.456 18.530 19.000 -0.023 0.000 0.940 3316 A HN 0.386 nan 8.150 nan 0.000 0.463 3317 K N 0.002 120.355 120.400 -0.077 0.000 2.189 3317 K HA -0.243 4.077 4.320 -0.000 0.000 0.207 3317 K C 1.942 178.529 176.600 -0.022 0.000 1.046 3317 K CA 1.845 58.090 56.287 -0.070 0.000 0.928 3317 K CB -0.112 32.353 32.500 -0.059 0.000 0.720 3317 K HN 0.662 nan 8.250 nan 0.000 0.458 3318 E N 0.438 120.636 120.200 -0.003 0.000 2.208 3318 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 3318 E C 1.791 178.418 176.600 0.044 0.000 0.988 3318 E CA 0.654 57.073 56.400 0.031 0.000 0.828 3318 E CB 0.132 29.868 29.700 0.060 0.000 0.763 3318 E HN 0.311 nan 8.360 nan 0.000 0.478 3319 I N 0.630 121.214 120.570 0.024 0.000 2.333 3319 I HA -0.177 3.993 4.170 -0.000 0.000 0.246 3319 I C 2.486 178.617 176.117 0.024 0.000 1.106 3319 I CA 0.660 61.978 61.300 0.030 0.000 1.411 3319 I CB -0.237 37.756 38.000 -0.011 0.000 1.082 3319 I HN 0.165 nan 8.210 nan 0.000 0.420 3320 E N 1.913 122.117 120.200 0.006 0.000 2.045 3320 E HA -0.387 3.963 4.350 -0.000 0.000 0.212 3320 E C 2.134 178.753 176.600 0.032 0.000 1.039 3320 E CA 2.376 58.789 56.400 0.021 0.000 0.860 3320 E CB -0.088 29.618 29.700 0.011 0.000 0.776 3320 E HN 0.226 nan 8.360 nan 0.000 0.467 3321 K N 0.457 120.874 120.400 0.028 0.000 2.034 3321 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 3321 K C 1.977 178.596 176.600 0.031 0.000 1.051 3321 K CA 2.188 58.492 56.287 0.029 0.000 0.931 3321 K CB -0.003 32.512 32.500 0.026 0.000 0.715 3321 K HN 0.049 nan 8.250 nan 0.000 0.446 3322 K N -0.004 120.419 120.400 0.038 0.000 2.555 3322 K HA -0.037 4.283 4.320 -0.000 0.000 0.193 3322 K C 1.540 178.163 176.600 0.040 0.000 1.032 3322 K CA 0.662 56.975 56.287 0.042 0.000 1.004 3322 K CB 0.343 32.877 32.500 0.056 0.000 0.804 3322 K HN 0.076 nan 8.250 nan 0.000 0.496 3323 V N 0.280 120.216 119.914 0.036 0.000 2.672 3323 V HA -0.042 4.078 4.120 -0.000 0.000 0.242 3323 V C 2.032 178.141 176.094 0.026 0.000 1.059 3323 V CA 0.661 62.981 62.300 0.033 0.000 1.081 3323 V CB -0.253 31.590 31.823 0.034 0.000 0.752 3323 V HN 0.194 nan 8.190 nan 0.000 0.472 3324 R N 0.364 120.879 120.500 0.024 0.000 2.139 3324 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 3324 R C 2.191 178.500 176.300 0.015 0.000 1.145 3324 R CA 1.739 57.849 56.100 0.017 0.000 0.976 3324 R CB -0.201 30.110 30.300 0.017 0.000 0.866 3324 R HN 0.594 nan 8.270 nan 0.000 0.449 3325 E N 0.192 120.404 120.200 0.019 0.000 2.208 3325 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 3325 E C 1.447 178.058 176.600 0.018 0.000 0.988 3325 E CA 0.658 57.069 56.400 0.018 0.000 0.828 3325 E CB 0.179 29.891 29.700 0.020 0.000 0.763 3325 E HN 0.258 nan 8.360 nan 0.000 0.478 3326 L N 0.009 121.244 121.223 0.021 0.000 2.607 3326 L HA 0.121 4.461 4.340 -0.000 0.000 0.228 3326 L C 0.916 177.797 176.870 0.019 0.000 1.123 3326 L CA 0.186 55.038 54.840 0.021 0.000 0.890 3326 L CB 0.608 42.682 42.059 0.026 0.000 1.103 3326 L HN 0.056 nan 8.230 nan 0.000 0.468 3327 L N -1.045 120.188 121.223 0.016 0.000 3.521 3327 L HA 0.297 4.637 4.340 -0.000 0.000 0.323 3327 L C -0.887 175.987 176.870 0.007 0.000 1.268 3327 L CA 0.014 54.862 54.840 0.013 0.000 1.064 3327 L CB 0.900 42.968 42.059 0.015 0.000 1.455 3327 L HN 0.001 nan 8.230 nan 0.000 0.622 3328 L N 0.000 121.227 121.223 0.006 0.000 2.949 3328 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3328 L CA 0.000 54.841 54.840 0.001 0.000 0.813 3328 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 3328 L HN 0.000 nan 8.230 nan 0.000 0.502