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_B DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIXXSHMGL 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 AALTPKAEIX 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 AALTPKAEIX 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 1.257 121.449 120.200 -0.012 0.000 2.331 38 E HA 0.635 4.985 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 56.680 56.400 -0.017 0.000 0.864 38 E CB 1.571 31.262 29.700 -0.015 0.000 1.035 38 E HN 0.942 nan 8.360 nan 0.000 0.408 39 T N 0.284 114.821 114.554 -0.028 0.000 2.916 39 T HA 0.495 4.845 4.350 -0.000 0.000 0.298 39 T C -0.325 174.347 174.700 -0.048 0.000 1.031 39 T CA -0.884 61.195 62.100 -0.036 0.000 0.993 39 T CB 0.970 69.815 68.868 -0.038 0.000 1.045 39 T HN 0.151 nan 8.240 nan 0.000 0.454 40 I N 2.168 122.706 120.570 -0.053 0.000 2.377 40 I HA 0.378 4.548 4.170 -0.000 0.000 0.293 40 I C 0.917 176.980 176.117 -0.090 0.000 0.987 40 I CA -0.602 60.657 61.300 -0.067 0.000 1.185 40 I CB 1.670 39.636 38.000 -0.057 0.000 1.341 40 I HN 0.847 nan 8.210 nan 0.000 0.455 41 S N 3.316 118.943 115.700 -0.121 0.000 2.537 41 S HA 0.024 4.494 4.470 -0.000 0.000 0.286 41 S C 1.579 176.078 174.600 -0.169 0.000 1.299 41 S CA 0.003 58.102 58.200 -0.168 0.000 1.067 41 S CB 0.348 63.409 63.200 -0.231 0.000 0.864 41 S HN 0.806 nan 8.310 nan 0.000 0.494 42 T N 2.664 117.113 114.554 -0.174 0.000 2.962 42 T HA 0.184 4.533 4.350 -0.000 0.000 0.270 42 T C 1.579 176.162 174.700 -0.194 0.000 1.088 42 T CA 1.146 63.150 62.100 -0.159 0.000 1.127 42 T CB -0.526 68.247 68.868 -0.158 0.000 0.883 42 T HN 1.428 nan 8.240 nan 0.000 0.493 43 G N 0.510 109.149 108.800 -0.269 0.000 2.313 43 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 43 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 43 G C 0.308 175.000 174.900 -0.346 0.000 1.023 43 G CA 0.266 45.193 45.100 -0.289 0.000 0.626 43 G HN 1.089 nan 8.290 nan 0.000 0.503 44 S N 0.620 116.085 115.700 -0.392 0.000 2.565 44 S HA 0.706 5.176 4.470 -0.000 0.000 0.290 44 S C 1.396 175.805 174.600 -0.319 0.000 1.150 44 S CA -0.332 57.600 58.200 -0.447 0.000 1.058 44 S CB 1.285 63.971 63.200 -0.855 0.000 1.032 44 S HN 0.393 nan 8.310 nan 0.000 0.510 45 L N 3.781 124.882 121.223 -0.203 0.000 2.044 45 L HA 0.018 4.358 4.340 -0.000 0.000 0.205 45 L C 2.569 179.386 176.870 -0.088 0.000 1.075 45 L CA 2.461 57.226 54.840 -0.126 0.000 0.747 45 L CB -1.536 40.521 42.059 -0.003 0.000 0.903 45 L HN 0.958 nan 8.230 nan 0.000 0.435 46 S N -1.108 114.557 115.700 -0.058 0.000 2.489 46 S HA -0.126 4.344 4.470 -0.000 0.000 0.228 46 S C 2.022 176.616 174.600 -0.011 0.000 0.995 46 S CA 0.424 58.623 58.200 -0.001 0.000 0.934 46 S CB -0.494 62.745 63.200 0.066 0.000 0.771 46 S HN 0.402 nan 8.310 nan 0.000 0.522 47 L N 1.565 122.741 121.223 -0.078 0.000 2.017 47 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 47 L C 1.832 178.670 176.870 -0.053 0.000 1.073 47 L CA 1.931 56.737 54.840 -0.057 0.000 0.745 47 L CB -0.518 41.463 42.059 -0.131 0.000 0.894 47 L HN 0.194 nan 8.230 nan 0.000 0.432 48 D N 0.001 120.349 120.400 -0.087 0.000 2.149 48 D HA -0.211 4.429 4.640 -0.000 0.000 0.198 48 D C 2.132 178.409 176.300 -0.040 0.000 0.990 48 D CA 1.416 55.372 54.000 -0.073 0.000 0.839 48 D CB -0.146 40.592 40.800 -0.103 0.000 0.948 48 D HN 0.357 nan 8.370 nan 0.000 0.460 49 I N 0.674 121.228 120.570 -0.027 0.000 2.179 49 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 49 I C 2.281 178.404 176.117 0.010 0.000 1.088 49 I CA 1.164 62.462 61.300 -0.003 0.000 1.357 49 I CB -0.133 37.873 38.000 0.010 0.000 1.051 49 I HN -0.040 nan 8.210 nan 0.000 0.409 50 A N 0.092 122.923 122.820 0.017 0.000 2.067 50 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 50 A C 2.235 179.830 177.584 0.019 0.000 1.156 50 A CA 0.732 52.787 52.037 0.030 0.000 0.683 50 A CB -0.571 18.457 19.000 0.047 0.000 0.808 50 A HN 0.359 nan 8.150 nan 0.000 0.455 51 L N -1.311 119.914 121.223 0.004 0.000 2.131 51 L HA -0.043 4.297 4.340 -0.000 0.000 0.210 51 L C 2.122 178.991 176.870 -0.002 0.000 1.092 51 L CA 1.244 56.081 54.840 -0.005 0.000 0.759 51 L CB -0.232 41.816 42.059 -0.019 0.000 0.903 51 L HN 0.592 nan 8.230 nan 0.000 0.435 52 G N -1.609 107.191 108.800 0.000 0.000 2.199 52 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 52 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 52 G C 0.824 175.722 174.900 -0.004 0.000 0.982 52 G CA 0.505 45.607 45.100 0.003 0.000 0.632 52 G HN 0.515 nan 8.290 nan 0.000 0.529 53 A N -0.204 122.609 122.820 -0.013 0.000 2.324 53 A HA 0.643 4.963 4.320 -0.000 0.000 0.220 53 A C 2.249 179.816 177.584 -0.027 0.000 1.209 53 A CA 1.620 53.647 52.037 -0.017 0.000 0.918 53 A CB -0.041 18.948 19.000 -0.018 0.000 0.959 53 A HN 2.343 nan 8.150 nan 0.000 0.507 54 G N -1.106 107.674 108.800 -0.034 0.000 2.272 54 G HA2 0.328 4.288 3.960 -0.000 0.000 0.280 54 G HA3 0.328 4.288 3.960 -0.000 0.000 0.280 54 G C 0.955 175.816 174.900 -0.065 0.000 1.067 54 G CA 0.674 45.743 45.100 -0.050 0.000 0.902 54 G HN 2.290 nan 8.290 nan 0.000 0.500 55 G N -1.738 107.025 108.800 -0.062 0.000 2.357 55 G HA2 0.414 4.374 3.960 -0.000 0.000 0.289 55 G HA3 0.414 4.374 3.960 -0.000 0.000 0.289 55 G C -0.807 174.064 174.900 -0.049 0.000 1.302 55 G CA -0.553 44.507 45.100 -0.067 0.000 0.936 55 G HN 1.002 nan 8.290 nan 0.000 0.513 56 L N 1.496 122.691 121.223 -0.046 0.000 2.257 56 L HA 0.379 4.718 4.340 -0.000 0.000 0.290 56 L C -2.069 174.787 176.870 -0.024 0.000 1.044 56 L CA -1.703 53.119 54.840 -0.031 0.000 0.810 56 L CB 1.702 43.744 42.059 -0.027 0.000 1.193 56 L HN 0.201 nan 8.230 nan 0.000 0.425 57 P HA -0.081 nan 4.420 nan 0.000 0.251 57 P C -0.129 177.167 177.300 -0.007 0.000 1.154 57 P CA 0.531 63.624 63.100 -0.012 0.000 0.805 57 P CB 0.133 31.828 31.700 -0.010 0.000 0.759 58 M N 2.786 122.381 119.600 -0.009 0.000 2.248 58 M HA 0.114 4.594 4.480 -0.000 0.000 0.345 58 M C 1.643 177.944 176.300 0.002 0.000 1.243 58 M CA 1.151 56.447 55.300 -0.005 0.000 1.090 58 M CB -0.533 32.061 32.600 -0.009 0.000 1.683 58 M HN 0.783 nan 8.290 nan 0.000 0.450 59 G N 2.860 111.665 108.800 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 0.137 175.051 174.900 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 -0.639 119.876 120.500 0.025 0.000 2.919 60 R HA 0.752 5.092 4.340 -0.000 0.000 0.260 60 R C -0.070 176.266 176.300 0.060 0.000 1.067 60 R CA -1.160 54.961 56.100 0.036 0.000 1.003 60 R CB 0.874 31.185 30.300 0.019 0.000 1.192 60 R HN 0.199 nan 8.270 nan 0.000 0.488 61 I N 0.962 121.581 120.570 0.082 0.000 2.353 61 I HA 0.248 4.418 4.170 -0.000 0.000 0.293 61 I C -0.435 175.737 176.117 0.092 0.000 0.992 61 I CA -0.647 60.731 61.300 0.129 0.000 1.268 61 I CB 1.610 39.711 38.000 0.168 0.000 1.387 61 I HN -0.007 nan 8.210 nan 0.000 0.478 62 V N 6.527 126.510 119.914 0.116 0.000 2.483 62 V HA 0.296 4.416 4.120 -0.000 0.000 0.297 62 V C -0.292 175.863 176.094 0.101 0.000 1.027 62 V CA -0.644 61.695 62.300 0.066 0.000 0.855 62 V CB 1.801 33.645 31.823 0.037 0.000 0.995 62 V HN 0.676 nan 8.190 nan 0.000 0.424 63 E N 4.850 125.070 120.200 0.032 0.000 2.151 63 E HA 0.576 4.926 4.350 -0.000 0.000 0.275 63 E C -1.314 175.288 176.600 0.003 0.000 0.936 63 E CA -0.568 55.848 56.400 0.027 0.000 0.777 63 E CB 1.422 31.066 29.700 -0.094 0.000 1.108 63 E HN 0.630 nan 8.360 nan 0.000 0.401 64 I N 6.747 127.365 120.570 0.080 0.000 2.354 64 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 64 I C -0.614 175.633 176.117 0.215 0.000 1.007 64 I CA -0.712 60.662 61.300 0.123 0.000 1.167 64 I CB 0.679 38.746 38.000 0.111 0.000 1.320 64 I HN 0.511 nan 8.210 nan 0.000 0.458 65 Y N 4.541 124.856 120.300 0.026 0.000 2.562 65 Y HA 0.976 5.526 4.550 -0.000 0.000 0.343 65 Y C -0.053 175.856 175.900 0.014 0.000 1.025 65 Y CA -1.073 57.038 58.100 0.019 0.000 1.082 65 Y CB 2.478 40.940 38.460 0.004 0.000 1.264 65 Y HN 0.605 nan 8.280 nan 0.000 0.478 66 G N 1.363 110.123 108.800 -0.066 0.000 2.358 66 G HA2 0.267 4.227 3.960 -0.000 0.000 0.303 66 G HA3 0.267 4.227 3.960 -0.000 0.000 0.303 66 G C -3.512 171.328 174.900 -0.100 0.000 1.537 66 G CA -1.401 43.591 45.100 -0.181 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 0.631 177.910 177.300 -0.035 0.000 1.167 67 P CA 0.559 63.619 63.100 -0.066 0.000 0.760 67 P CB 0.292 31.953 31.700 -0.064 0.000 0.783 68 E N 1.197 121.382 120.200 -0.025 0.000 2.425 68 E HA 0.104 4.454 4.350 -0.000 0.000 0.258 68 E C -0.294 176.296 176.600 -0.017 0.000 1.151 68 E CA -0.462 55.931 56.400 -0.012 0.000 0.958 68 E CB -0.195 29.499 29.700 -0.011 0.000 0.968 68 E HN 0.254 nan 8.360 nan 0.000 0.451 69 S N 0.230 115.920 115.700 -0.015 0.000 3.550 69 S HA -0.175 4.295 4.470 -0.000 0.000 0.372 69 S C 0.370 174.956 174.600 -0.023 0.000 0.966 69 S CA 0.897 59.080 58.200 -0.028 0.000 1.229 69 S CB -1.780 61.397 63.200 -0.039 0.000 0.917 69 S HN 0.753 nan 8.310 nan 0.000 0.496 70 S N -1.097 114.597 115.700 -0.010 0.000 2.701 70 S HA 0.533 5.003 4.470 -0.000 0.000 0.242 70 S C 1.186 175.791 174.600 0.008 0.000 1.025 70 S CA 0.553 58.747 58.200 -0.010 0.000 1.016 70 S CB 1.107 64.297 63.200 -0.016 0.000 0.977 70 S HN 2.004 nan 8.310 nan 0.000 0.546 71 G N 1.553 110.370 108.800 0.028 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 0.616 175.575 174.900 0.098 0.000 0.993 71 G CA 0.282 45.425 45.100 0.070 0.000 0.661 71 G HN 0.437 nan 8.290 nan 0.000 0.518 72 K N -0.261 120.185 120.400 0.077 0.000 2.001 72 K HA -0.077 4.243 4.320 -0.000 0.000 0.214 72 K C 2.660 179.319 176.600 0.100 0.000 1.050 72 K CA 2.421 58.761 56.287 0.088 0.000 0.934 72 K CB -0.357 32.187 32.500 0.073 0.000 0.718 72 K HN 0.269 nan 8.250 nan 0.000 0.443 73 T N 0.016 114.630 114.554 0.101 0.000 2.867 73 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 73 T C 1.563 176.333 174.700 0.118 0.000 1.057 73 T CA 1.666 63.837 62.100 0.119 0.000 1.136 73 T CB -0.244 68.701 68.868 0.128 0.000 0.874 73 T HN 0.385 nan 8.240 nan 0.000 0.466 74 T N 2.434 117.076 114.554 0.146 0.000 2.643 74 T HA -0.028 4.322 4.350 -0.000 0.000 0.264 74 T C 1.894 176.638 174.700 0.073 0.000 1.045 74 T CA 1.007 63.188 62.100 0.136 0.000 1.155 74 T CB -0.640 68.352 68.868 0.206 0.000 0.863 74 T HN 0.230 nan 8.240 nan 0.000 0.420 75 L N 0.490 121.776 121.223 0.105 0.000 2.043 75 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 75 L C 2.654 179.545 176.870 0.036 0.000 1.075 75 L CA 1.607 56.495 54.840 0.080 0.000 0.752 75 L CB -0.770 41.365 42.059 0.126 0.000 0.891 75 L HN 0.307 nan 8.230 nan 0.000 0.432 76 T N 0.112 114.699 114.554 0.055 0.000 2.580 76 T HA -0.249 4.101 4.350 -0.000 0.000 0.265 76 T C 1.691 176.400 174.700 0.015 0.000 1.063 76 T CA 1.880 64.010 62.100 0.049 0.000 1.170 76 T CB -0.336 68.588 68.868 0.092 0.000 0.863 76 T HN 0.179 nan 8.240 nan 0.000 0.418 77 L N 1.303 122.524 121.223 -0.003 0.000 2.447 77 L HA -0.055 4.285 4.340 -0.000 0.000 0.225 77 L C 2.580 179.397 176.870 -0.089 0.000 1.148 77 L CA 1.309 56.105 54.840 -0.073 0.000 0.808 77 L CB -0.525 41.458 42.059 -0.127 0.000 0.928 77 L HN 0.223 nan 8.230 nan 0.000 0.448 78 Q N -1.067 118.693 119.800 -0.066 0.000 2.212 78 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 78 Q C 2.363 178.311 176.000 -0.087 0.000 0.950 78 Q CA 1.559 57.313 55.803 -0.081 0.000 0.863 78 Q CB 0.002 28.698 28.738 -0.070 0.000 0.944 78 Q HN 0.578 nan 8.270 nan 0.000 0.465 79 V N -2.173 117.701 119.914 -0.067 0.000 2.591 79 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 79 V C 2.098 178.156 176.094 -0.061 0.000 1.053 79 V CA 0.964 63.223 62.300 -0.069 0.000 1.068 79 V CB -0.738 31.054 31.823 -0.051 0.000 0.689 79 V HN 0.138 nan 8.190 nan 0.000 0.462 80 I N 1.240 121.778 120.570 -0.053 0.000 2.493 80 I HA -0.102 4.068 4.170 -0.000 0.000 0.254 80 I C 2.858 178.933 176.117 -0.070 0.000 1.160 80 I CA 1.332 62.600 61.300 -0.053 0.000 1.445 80 I CB -0.649 37.318 38.000 -0.055 0.000 1.086 80 I HN 0.390 nan 8.210 nan 0.000 0.433 81 A N 1.189 123.960 122.820 -0.082 0.000 1.832 81 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 81 A C 2.603 180.141 177.584 -0.078 0.000 1.200 81 A CA 1.624 53.611 52.037 -0.084 0.000 0.610 81 A CB -0.976 17.970 19.000 -0.092 0.000 0.842 81 A HN 0.369 nan 8.150 nan 0.000 0.444 82 A N -0.384 122.381 122.820 -0.092 0.000 1.978 82 A HA 0.113 4.432 4.320 -0.000 0.000 0.220 82 A C 2.382 179.917 177.584 -0.082 0.000 1.170 82 A CA 2.284 54.259 52.037 -0.103 0.000 0.636 82 A CB -0.816 18.098 19.000 -0.142 0.000 0.810 82 A HN 1.077 nan 8.150 nan 0.000 0.448 83 A N -1.680 121.098 122.820 -0.069 0.000 1.975 83 A HA 0.012 4.332 4.320 -0.000 0.000 0.215 83 A C 2.042 179.599 177.584 -0.045 0.000 1.170 83 A CA 1.554 53.559 52.037 -0.053 0.000 0.656 83 A CB -0.305 18.668 19.000 -0.045 0.000 0.821 83 A HN 0.455 nan 8.150 nan 0.000 0.449 84 Q N -0.238 119.534 119.800 -0.048 0.000 2.291 84 Q HA 0.003 4.343 4.340 -0.000 0.000 0.205 84 Q C 1.755 177.733 176.000 -0.037 0.000 0.970 84 Q CA 1.126 56.904 55.803 -0.042 0.000 0.876 84 Q CB -0.214 28.494 28.738 -0.050 0.000 0.935 84 Q HN 0.575 nan 8.270 nan 0.000 0.455 85 R N -0.019 120.456 120.500 -0.041 0.000 2.555 85 R HA 0.118 4.458 4.340 -0.000 0.000 0.272 85 R C -0.291 175.990 176.300 -0.032 0.000 1.089 85 R CA 0.251 56.330 56.100 -0.035 0.000 1.126 85 R CB 0.209 30.487 30.300 -0.037 0.000 1.250 85 R HN 0.109 nan 8.270 nan 0.000 0.551 86 E N -1.538 118.644 120.200 -0.031 0.000 3.293 86 E HA 0.148 4.498 4.350 -0.000 0.000 0.174 86 E C 0.311 176.898 176.600 -0.022 0.000 0.958 86 E CA 0.220 56.604 56.400 -0.027 0.000 1.352 86 E CB 1.275 30.955 29.700 -0.033 0.000 1.066 86 E HN 0.450 nan 8.360 nan 0.000 0.448 87 G N 2.226 111.014 108.800 -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 0.138 175.029 174.900 -0.015 0.000 1.409 87 G CA 0.098 45.189 45.100 -0.015 0.000 0.927 87 G HN 0.204 nan 8.290 nan 0.000 0.710 88 K N 3.290 123.680 120.400 -0.016 0.000 4.321 88 K HA -0.127 4.193 4.320 -0.000 0.000 0.255 88 K C 1.028 177.620 176.600 -0.013 0.000 0.855 88 K CA 1.544 57.823 56.287 -0.015 0.000 0.904 88 K CB -1.911 30.577 32.500 -0.020 0.000 1.921 88 K HN 1.233 nan 8.250 nan 0.000 0.419 89 T N -0.799 113.750 114.554 -0.007 0.000 2.916 89 T HA 0.204 4.554 4.350 -0.000 0.000 0.303 89 T C 0.646 175.345 174.700 -0.000 0.000 1.025 89 T CA -0.795 61.303 62.100 -0.004 0.000 1.142 89 T CB 0.795 69.663 68.868 0.001 0.000 0.947 89 T HN 0.451 nan 8.240 nan 0.000 0.544 90 C N 2.397 121.698 119.300 0.002 0.000 2.614 90 C HA 0.886 5.346 4.460 -0.000 0.000 0.320 90 C C 0.510 175.520 174.990 0.032 0.000 1.200 90 C CA -0.638 58.386 59.018 0.010 0.000 1.700 90 C CB 1.157 28.898 27.740 0.003 0.000 2.275 90 C HN 1.219 nan 8.230 nan 0.000 0.492 91 A N 1.777 124.622 122.820 0.041 0.000 2.330 91 A HA 0.825 5.145 4.320 -0.000 0.000 0.327 91 A C -1.209 176.447 177.584 0.120 0.000 1.155 91 A CA -0.231 51.843 52.037 0.062 0.000 0.803 91 A CB 0.657 19.667 19.000 0.016 0.000 1.208 91 A HN 0.801 nan 8.150 nan 0.000 0.477 92 F N 4.725 124.648 119.950 -0.045 0.000 2.434 92 F HA 0.452 4.979 4.527 -0.000 0.000 0.367 92 F C -0.575 175.204 175.800 -0.036 0.000 1.093 92 F CA -1.287 56.682 58.000 -0.052 0.000 1.085 92 F CB 0.901 39.873 39.000 -0.047 0.000 1.322 92 F HN 0.405 nan 8.300 nan 0.000 0.452 93 I N 4.082 124.408 120.570 -0.406 0.000 2.329 93 I HA 0.133 4.303 4.170 -0.000 0.000 0.295 93 I C -0.247 175.547 176.117 -0.539 0.000 1.109 93 I CA -0.034 61.052 61.300 -0.356 0.000 1.297 93 I CB 0.089 37.907 38.000 -0.303 0.000 1.433 93 I HN 0.487 nan 8.210 nan 0.000 0.509 94 D N 5.253 125.444 120.400 -0.348 0.000 2.381 94 D HA 0.605 5.245 4.640 -0.000 0.000 0.235 94 D C 0.365 176.558 176.300 -0.179 0.000 1.068 94 D CA -0.390 53.435 54.000 -0.290 0.000 0.832 94 D CB 1.785 42.641 40.800 0.092 0.000 1.101 94 D HN 0.592 nan 8.370 nan 0.000 0.515 95 A N 3.814 126.502 122.820 -0.221 0.000 2.456 95 A HA 0.121 4.441 4.320 -0.000 0.000 0.237 95 A C 1.494 178.861 177.584 -0.362 0.000 1.217 95 A CA -0.215 51.681 52.037 -0.235 0.000 0.962 95 A CB 0.193 19.198 19.000 0.009 0.000 1.079 95 A HN 0.528 nan 8.150 nan 0.000 0.536 96 E N 0.121 120.190 120.200 -0.217 0.000 2.158 96 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 96 E C -0.412 176.193 176.600 0.008 0.000 0.982 96 E CA 0.765 57.121 56.400 -0.074 0.000 0.823 96 E CB -0.328 29.393 29.700 0.035 0.000 0.766 96 E HN 0.793 nan 8.360 nan 0.000 0.468 97 H N -1.199 118.000 119.070 0.215 0.000 2.770 97 H HA -0.204 4.352 4.556 -0.000 0.000 0.309 97 H C 0.669 176.225 175.328 0.380 0.000 1.206 97 H CA 0.030 56.242 56.048 0.272 0.000 1.147 97 H CB -1.462 28.337 29.762 0.061 0.000 1.422 97 H HN 0.275 nan 8.280 nan 0.000 0.420 98 A N 0.676 123.778 122.820 0.471 0.000 2.984 98 A HA 0.496 4.816 4.320 -0.000 0.000 0.212 98 A C 0.933 178.679 177.584 0.271 0.000 2.164 98 A CA 0.133 52.361 52.037 0.317 0.000 0.982 98 A CB -0.104 19.011 19.000 0.192 0.000 1.352 98 A HN 0.811 nan 8.150 nan 0.000 0.491 99 L N 0.529 121.811 121.223 0.098 0.000 3.319 99 L HA -0.169 4.171 4.340 -0.000 0.000 0.534 99 L C -1.253 175.531 176.870 -0.143 0.000 1.001 99 L CA 0.668 55.416 54.840 -0.155 0.000 1.233 99 L CB -1.258 40.458 42.059 -0.572 0.000 1.030 99 L HN 0.549 nan 8.230 nan 0.000 0.588 100 D N 8.137 128.514 120.400 -0.038 0.000 2.380 100 D HA 0.363 5.003 4.640 -0.000 0.000 0.230 100 D C -1.363 174.919 176.300 -0.029 0.000 1.154 100 D CA -1.706 52.306 54.000 0.020 0.000 0.859 100 D CB 1.158 42.006 40.800 0.079 0.000 1.045 100 D HN 0.448 nan 8.370 nan 0.000 0.495 101 P HA -0.203 nan 4.420 nan 0.000 0.217 101 P C 1.545 178.824 177.300 -0.034 0.000 1.151 101 P CA 0.920 63.973 63.100 -0.079 0.000 0.849 101 P CB 0.395 32.090 31.700 -0.008 0.000 0.787 102 I N -1.462 119.121 120.570 0.023 0.000 2.233 102 I HA -0.209 3.961 4.170 -0.000 0.000 0.243 102 I C 2.742 178.897 176.117 0.063 0.000 1.093 102 I CA 1.232 62.556 61.300 0.040 0.000 1.380 102 I CB -1.956 36.081 38.000 0.061 0.000 1.067 102 I HN -0.066 nan 8.210 nan 0.000 0.413 103 Y N 2.208 122.483 120.300 -0.042 0.000 2.207 103 Y HA -0.266 4.284 4.550 -0.000 0.000 0.287 103 Y C 2.672 178.536 175.900 -0.060 0.000 1.156 103 Y CA 1.939 60.013 58.100 -0.044 0.000 1.182 103 Y CB 0.014 38.443 38.460 -0.051 0.000 0.979 103 Y HN 0.139 nan 8.280 nan 0.000 0.521 104 A N 0.493 123.233 122.820 -0.132 0.000 1.877 104 A HA -0.226 4.093 4.320 -0.000 0.000 0.216 104 A C 2.262 179.731 177.584 -0.191 0.000 1.186 104 A CA 1.801 53.701 52.037 -0.228 0.000 0.620 104 A CB -0.814 18.058 19.000 -0.213 0.000 0.822 104 A HN 0.542 nan 8.150 nan 0.000 0.443 105 R N -0.251 120.178 120.500 -0.118 0.000 2.091 105 R HA -0.140 4.200 4.340 -0.000 0.000 0.238 105 R C 1.967 178.215 176.300 -0.087 0.000 1.136 105 R CA 1.948 57.997 56.100 -0.084 0.000 0.959 105 R CB -0.182 30.092 30.300 -0.044 0.000 0.856 105 R HN 0.512 nan 8.270 nan 0.000 0.437 106 K N -0.143 120.201 120.400 -0.094 0.000 2.366 106 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 106 K C 1.821 178.344 176.600 -0.129 0.000 1.044 106 K CA 0.535 56.775 56.287 -0.079 0.000 0.973 106 K CB 0.168 32.651 32.500 -0.028 0.000 0.767 106 K HN 0.198 nan 8.250 nan 0.000 0.475 107 L N -0.481 120.603 121.223 -0.231 0.000 2.240 107 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 107 L C 0.973 177.762 176.870 -0.134 0.000 1.106 107 L CA 0.803 55.505 54.840 -0.231 0.000 0.793 107 L CB 0.102 41.941 42.059 -0.366 0.000 0.927 107 L HN 0.446 nan 8.230 nan 0.000 0.446 108 G N -0.075 108.654 108.800 -0.119 0.000 2.186 108 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.130 108 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.130 108 G C -0.320 174.530 174.900 -0.083 0.000 1.031 108 G CA -0.368 44.685 45.100 -0.079 0.000 0.697 108 G HN -0.000 nan 8.290 nan 0.000 0.494 109 V N 0.574 120.426 119.914 -0.104 0.000 2.427 109 V HA 0.453 4.573 4.120 -0.000 0.000 0.286 109 V C 0.361 176.404 176.094 -0.084 0.000 1.034 109 V CA -0.877 61.362 62.300 -0.102 0.000 0.893 109 V CB 1.853 33.592 31.823 -0.139 0.000 0.982 109 V HN 0.309 nan 8.190 nan 0.000 0.452 110 D N 4.065 124.425 120.400 -0.066 0.000 2.398 110 D HA 0.087 4.727 4.640 -0.000 0.000 0.250 110 D C 1.036 177.301 176.300 -0.058 0.000 1.287 110 D CA -0.068 53.901 54.000 -0.051 0.000 0.992 110 D CB 0.535 41.312 40.800 -0.037 0.000 1.071 110 D HN 0.296 nan 8.370 nan 0.000 0.514 111 I N 2.509 123.041 120.570 -0.064 0.000 2.252 111 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 111 I C 1.405 177.497 176.117 -0.042 0.000 1.102 111 I CA 0.982 62.238 61.300 -0.074 0.000 1.385 111 I CB -0.741 37.212 38.000 -0.078 0.000 1.064 111 I HN 0.294 nan 8.210 nan 0.000 0.414 112 D N 0.366 120.751 120.400 -0.025 0.000 2.354 112 D HA -0.162 4.478 4.640 -0.000 0.000 0.216 112 D C 1.448 177.744 176.300 -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 0.291 nan 8.370 nan 0.000 0.508 113 N N 0.143 118.834 118.700 -0.014 0.000 2.416 113 N HA 0.083 4.823 4.740 -0.000 0.000 0.267 113 N C -1.043 174.461 175.510 -0.010 0.000 1.294 113 N CA -0.127 52.918 53.050 -0.009 0.000 0.891 113 N CB 0.633 39.113 38.487 -0.011 0.000 1.238 113 N HN 0.080 nan 8.380 nan 0.000 0.508 114 L N 1.867 123.082 121.223 -0.013 0.000 2.334 114 L HA 0.560 4.900 4.340 -0.000 0.000 0.276 114 L C -0.730 176.154 176.870 0.023 0.000 1.014 114 L CA -0.544 54.288 54.840 -0.013 0.000 0.815 114 L CB 2.045 44.066 42.059 -0.063 0.000 1.268 114 L HN 0.001 nan 8.230 nan 0.000 0.428 115 L N 4.460 125.712 121.223 0.048 0.000 2.282 115 L HA 0.469 4.809 4.340 -0.000 0.000 0.288 115 L C 0.006 176.961 176.870 0.141 0.000 1.033 115 L CA -0.659 54.228 54.840 0.078 0.000 0.807 115 L CB 1.387 43.481 42.059 0.060 0.000 1.209 115 L HN 0.658 nan 8.230 nan 0.000 0.423 116 C N 0.976 120.378 119.300 0.172 0.000 2.529 116 C HA 0.841 5.301 4.460 -0.000 0.000 0.329 116 C C 0.242 175.337 174.990 0.175 0.000 1.194 116 C CA -0.509 58.672 59.018 0.273 0.000 1.779 116 C CB 1.551 29.529 27.740 0.395 0.000 2.322 116 C HN 0.822 nan 8.230 nan 0.000 0.500 117 S N 3.628 119.405 115.700 0.129 0.000 2.594 117 S HA 0.401 4.871 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 -0.332 57.898 58.200 0.049 0.000 1.116 117 S CB 1.012 64.188 63.200 -0.040 0.000 0.979 117 S HN 0.820 nan 8.310 nan 0.000 0.465 118 Q N 2.576 122.436 119.800 0.099 0.000 2.963 118 Q HA 0.261 4.601 4.340 -0.000 0.000 0.262 118 Q C -2.452 173.624 176.000 0.127 0.000 1.318 118 Q CA -1.737 54.151 55.803 0.142 0.000 1.089 118 Q CB 0.001 28.822 28.738 0.138 0.000 1.424 118 Q HN 0.441 nan 8.270 nan 0.000 0.560 119 P HA 0.029 nan 4.420 nan 0.000 0.272 119 P C 0.525 177.914 177.300 0.148 0.000 1.240 119 P CA -0.250 62.880 63.100 0.050 0.000 0.791 119 P CB 1.095 32.785 31.700 -0.017 0.000 0.978 120 D N -0.856 119.589 120.400 0.074 0.000 2.305 120 D HA -0.009 4.631 4.640 -0.000 0.000 0.206 120 D C 0.114 176.427 176.300 0.021 0.000 0.974 120 D CA 1.036 55.101 54.000 0.108 0.000 0.871 120 D CB 0.611 41.434 40.800 0.038 0.000 0.947 120 D HN 0.530 nan 8.370 nan 0.000 0.516 121 T N -5.434 109.059 114.554 -0.102 0.000 2.769 121 T HA 0.420 4.770 4.350 -0.000 0.000 0.306 121 T C 1.116 175.680 174.700 -0.228 0.000 1.400 121 T CA -0.205 61.733 62.100 -0.269 0.000 1.007 121 T CB 1.021 69.804 68.868 -0.141 0.000 1.392 121 T HN -0.193 nan 8.240 nan 0.000 0.500 122 G N 0.138 108.783 108.800 -0.258 0.000 2.408 122 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.217 122 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.217 122 G C 1.023 175.865 174.900 -0.096 0.000 1.150 122 G CA 1.038 46.047 45.100 -0.152 0.000 0.776 122 G HN 0.798 nan 8.290 nan 0.000 0.542 123 E N 0.085 120.234 120.200 -0.085 0.000 2.000 123 E HA -0.157 4.193 4.350 -0.000 0.000 0.199 123 E C 2.475 179.037 176.600 -0.064 0.000 1.011 123 E CA 1.456 57.827 56.400 -0.047 0.000 0.836 123 E CB -0.471 29.218 29.700 -0.019 0.000 0.778 123 E HN 0.533 nan 8.360 nan 0.000 0.462 124 Q N 0.059 119.813 119.800 -0.076 0.000 2.182 124 Q HA -0.334 4.006 4.340 -0.000 0.000 0.213 124 Q C 1.994 177.807 176.000 -0.312 0.000 1.000 124 Q CA 2.199 57.889 55.803 -0.188 0.000 0.889 124 Q CB -0.313 28.341 28.738 -0.140 0.000 0.932 124 Q HN 0.307 nan 8.270 nan 0.000 0.415 125 A N 0.897 123.600 122.820 -0.196 0.000 1.851 125 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 125 A C 1.937 179.433 177.584 -0.145 0.000 1.195 125 A CA 1.503 53.437 52.037 -0.171 0.000 0.622 125 A CB -0.945 17.991 19.000 -0.107 0.000 0.831 125 A HN 0.510 nan 8.150 nan 0.000 0.444 126 L N -0.747 120.429 121.223 -0.080 0.000 2.786 126 L HA -0.076 4.264 4.340 -0.000 0.000 0.250 126 L C 1.731 178.587 176.870 -0.023 0.000 1.151 126 L CA 0.673 55.501 54.840 -0.020 0.000 0.910 126 L CB -0.288 41.781 42.059 0.017 0.000 1.082 126 L HN 0.575 nan 8.230 nan 0.000 0.433 127 E N -1.203 118.944 120.200 -0.089 0.000 2.441 127 E HA 0.079 4.429 4.350 -0.000 0.000 0.212 127 E C 2.016 178.564 176.600 -0.087 0.000 0.840 127 E CA -0.032 56.350 56.400 -0.030 0.000 1.143 127 E CB 0.468 30.216 29.700 0.079 0.000 1.153 127 E HN 0.383 nan 8.360 nan 0.000 0.539 128 I N 1.555 121.944 120.570 -0.302 0.000 2.286 128 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 128 I C 2.622 178.683 176.117 -0.094 0.000 1.104 128 I CA 0.833 61.976 61.300 -0.262 0.000 1.397 128 I CB -0.289 37.491 38.000 -0.367 0.000 1.072 128 I HN 0.351 nan 8.210 nan 0.000 0.417 129 C N -0.502 118.738 119.300 -0.100 0.000 2.422 129 C HA -0.162 4.298 4.460 -0.000 0.000 0.279 129 C C 2.483 177.464 174.990 -0.015 0.000 1.305 129 C CA 0.527 59.504 59.018 -0.068 0.000 1.757 129 C CB -1.011 26.666 27.740 -0.105 0.000 1.962 129 C HN 0.505 nan 8.230 nan 0.000 0.499 130 D N 1.649 122.054 120.400 0.010 0.000 2.097 130 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 130 D C 2.434 178.768 176.300 0.056 0.000 0.984 130 D CA 1.993 56.020 54.000 0.045 0.000 0.826 130 D CB -0.287 40.550 40.800 0.062 0.000 0.973 130 D HN 0.537 nan 8.370 nan 0.000 0.460 131 A N 0.548 123.414 122.820 0.076 0.000 1.978 131 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 131 A C 2.538 180.161 177.584 0.065 0.000 1.170 131 A CA 0.955 53.052 52.037 0.099 0.000 0.636 131 A CB -0.665 18.442 19.000 0.179 0.000 0.810 131 A HN 0.348 nan 8.150 nan 0.000 0.448 132 L N -1.156 120.093 121.223 0.043 0.000 2.179 132 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 132 L C 3.013 179.898 176.870 0.025 0.000 1.096 132 L CA 0.703 55.560 54.840 0.030 0.000 0.779 132 L CB -0.519 41.548 42.059 0.014 0.000 0.922 132 L HN 0.404 nan 8.230 nan 0.000 0.443 133 A N 0.447 123.283 122.820 0.026 0.000 1.908 133 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 133 A C 2.419 180.021 177.584 0.030 0.000 1.181 133 A CA 1.545 53.598 52.037 0.028 0.000 0.627 133 A CB -0.443 18.579 19.000 0.036 0.000 0.818 133 A HN 0.319 nan 8.150 nan 0.000 0.445 134 R N -0.316 120.205 120.500 0.035 0.000 2.092 134 R HA -0.005 4.335 4.340 -0.000 0.000 0.231 134 R C 1.219 177.535 176.300 0.027 0.000 1.119 134 R CA 1.198 57.317 56.100 0.033 0.000 0.970 134 R CB -0.276 30.047 30.300 0.038 0.000 0.864 134 R HN 0.371 nan 8.270 nan 0.000 0.440 135 S N 0.378 116.095 115.700 0.029 0.000 2.967 135 S HA 0.107 4.577 4.470 -0.000 0.000 0.254 135 S C 1.113 175.724 174.600 0.019 0.000 1.089 135 S CA 0.385 58.600 58.200 0.025 0.000 1.183 135 S CB -0.053 63.164 63.200 0.029 0.000 0.848 135 S HN 0.662 nan 8.310 nan 0.000 0.477 136 G N 2.080 110.890 108.800 0.017 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 0.574 175.480 174.900 0.010 0.000 1.491 136 G CA 0.243 45.351 45.100 0.013 0.000 1.324 136 G HN 1.048 nan 8.290 nan 0.000 0.829 137 A N 0.101 122.927 122.820 0.010 0.000 3.245 137 A HA 0.678 4.998 4.320 -0.000 0.000 0.282 137 A C -0.206 177.383 177.584 0.008 0.000 1.417 137 A CA 0.372 52.413 52.037 0.007 0.000 1.149 137 A CB 0.400 19.404 19.000 0.006 0.000 1.155 137 A HN 1.210 nan 8.150 nan 0.000 0.602 138 V N 1.265 121.185 119.914 0.009 0.000 2.447 138 V HA 0.208 4.328 4.120 -0.000 0.000 0.292 138 V C 0.017 176.114 176.094 0.004 0.000 1.021 138 V CA -0.470 61.834 62.300 0.008 0.000 0.850 138 V CB 1.564 33.394 31.823 0.012 0.000 1.005 138 V HN 0.735 nan 8.190 nan 0.000 0.426 139 D N 2.288 122.688 120.400 0.000 0.000 2.202 139 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 139 D C 0.427 176.723 176.300 -0.006 0.000 0.967 139 D CA 1.462 55.460 54.000 -0.004 0.000 0.871 139 D CB 1.247 42.042 40.800 -0.007 0.000 1.020 139 D HN 0.384 nan 8.370 nan 0.000 0.474 140 V N 1.234 121.143 119.914 -0.008 0.000 2.577 140 V HA 0.415 4.535 4.120 -0.000 0.000 0.303 140 V C -1.232 174.854 176.094 -0.015 0.000 1.042 140 V CA -0.710 61.582 62.300 -0.013 0.000 0.872 140 V CB 1.942 33.755 31.823 -0.015 0.000 0.998 140 V HN -0.080 nan 8.190 nan 0.000 0.423 141 I N 6.344 126.893 120.570 -0.035 0.000 2.412 141 I HA 0.558 4.728 4.170 -0.000 0.000 0.296 141 I C -0.764 175.286 176.117 -0.111 0.000 0.987 141 I CA -0.868 60.392 61.300 -0.066 0.000 1.180 141 I CB 2.085 40.031 38.000 -0.090 0.000 1.340 141 I HN 0.390 nan 8.210 nan 0.000 0.455 142 V N 6.909 126.756 119.914 -0.112 0.000 2.483 142 V HA 0.338 4.458 4.120 -0.000 0.000 0.297 142 V C -0.335 175.551 176.094 -0.347 0.000 1.027 142 V CA -0.624 61.581 62.300 -0.158 0.000 0.855 142 V CB 2.316 34.159 31.823 0.033 0.000 0.995 142 V HN 0.463 nan 8.190 nan 0.000 0.424 143 V N 1.792 121.441 119.914 -0.441 0.000 2.398 143 V HA 0.744 4.864 4.120 -0.000 0.000 0.286 143 V C -0.688 175.194 176.094 -0.353 0.000 1.026 143 V CA -0.522 61.486 62.300 -0.486 0.000 0.868 143 V CB 1.673 33.090 31.823 -0.675 0.000 0.982 143 V HN 0.847 nan 8.190 nan 0.000 0.443 144 D N 2.695 122.860 120.400 -0.390 0.000 2.402 144 D HA 0.561 5.201 4.640 -0.000 0.000 0.252 144 D C -0.730 175.461 176.300 -0.182 0.000 1.294 144 D CA 0.246 54.083 54.000 -0.272 0.000 0.948 144 D CB 1.786 42.337 40.800 -0.415 0.000 1.202 144 D HN 0.838 nan 8.370 nan 0.000 0.561 145 S N 2.090 117.746 115.700 -0.073 0.000 2.627 145 S HA 0.386 4.856 4.470 -0.000 0.000 0.283 145 S C 1.167 175.792 174.600 0.042 0.000 1.127 145 S CA -0.637 57.553 58.200 -0.016 0.000 0.863 145 S CB 1.383 64.592 63.200 0.015 0.000 1.121 145 S HN 0.059 nan 8.310 nan 0.000 0.479 146 V N 2.745 122.721 119.914 0.103 0.000 2.277 146 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 146 V C 2.892 179.030 176.094 0.074 0.000 1.067 146 V CA 2.845 65.222 62.300 0.130 0.000 1.047 146 V CB -1.541 30.360 31.823 0.131 0.000 0.649 146 V HN 0.936 nan 8.190 nan 0.000 0.447 147 A N -0.421 122.436 122.820 0.061 0.000 1.933 147 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 147 A C 2.216 179.836 177.584 0.060 0.000 1.175 147 A CA 1.936 54.004 52.037 0.050 0.000 0.628 147 A CB -0.583 18.443 19.000 0.043 0.000 0.814 147 A HN 0.671 nan 8.150 nan 0.000 0.444 148 A N -1.349 121.511 122.820 0.066 0.000 2.251 148 A HA 0.405 4.725 4.320 -0.000 0.000 0.209 148 A C 0.596 178.262 177.584 0.137 0.000 1.187 148 A CA 0.008 52.111 52.037 0.110 0.000 0.823 148 A CB -0.203 18.842 19.000 0.075 0.000 0.846 148 A HN 0.274 nan 8.150 nan 0.000 0.486 149 L N 2.661 123.924 121.223 0.067 0.000 2.416 149 L HA 0.111 4.451 4.340 -0.000 0.000 0.243 149 L C 0.845 177.705 176.870 -0.018 0.000 1.373 149 L CA 0.457 55.309 54.840 0.020 0.000 1.227 149 L CB -1.286 40.792 42.059 0.032 0.000 1.428 149 L HN 0.358 nan 8.230 nan 0.000 0.425 150 T N -0.208 114.321 114.554 -0.042 0.000 2.761 150 T HA 0.404 4.753 4.350 -0.000 0.000 0.296 150 T C -2.312 172.295 174.700 -0.156 0.000 0.934 150 T CA -1.859 60.202 62.100 -0.065 0.000 1.091 150 T CB 0.517 69.385 68.868 0.001 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 0.912 178.144 177.300 -0.114 0.000 1.186 151 P CA -0.293 62.751 63.100 -0.093 0.000 0.767 151 P CB 0.608 32.273 31.700 -0.059 0.000 0.820 152 K N 2.502 122.846 120.400 -0.092 0.000 2.152 152 K HA -0.210 4.110 4.320 -0.000 0.000 0.206 152 K C 1.766 178.333 176.600 -0.054 0.000 1.048 152 K CA 1.611 57.856 56.287 -0.069 0.000 0.933 152 K CB -0.471 32.012 32.500 -0.028 0.000 0.721 152 K HN 0.481 nan 8.250 nan 0.000 0.447 153 A N 1.474 124.263 122.820 -0.053 0.000 1.851 153 A HA -0.235 4.085 4.320 -0.000 0.000 0.216 153 A C 1.916 179.464 177.584 -0.059 0.000 1.195 153 A CA 1.834 53.840 52.037 -0.052 0.000 0.622 153 A CB -0.640 18.327 19.000 -0.056 0.000 0.831 153 A HN 0.438 nan 8.150 nan 0.000 0.444 154 E N -0.535 119.630 120.200 -0.058 0.000 2.118 154 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 154 E C 1.837 178.405 176.600 -0.054 0.000 0.992 154 E CA 1.233 57.608 56.400 -0.042 0.000 0.804 154 E CB -0.321 29.367 29.700 -0.021 0.000 0.741 154 E HN 0.705 nan 8.360 nan 0.000 0.458 155 I N 0.822 121.342 120.570 -0.083 0.000 2.530 155 I HA -0.234 3.936 4.170 -0.000 0.000 0.257 155 I C 0.521 176.545 176.117 -0.156 0.000 1.179 155 I CA 1.189 62.422 61.300 -0.112 0.000 1.440 155 I CB -0.129 37.792 38.000 -0.132 0.000 1.087 155 I HN 0.040 nan 8.210 nan 0.000 0.440 156 E N 0.545 120.679 120.200 -0.111 0.000 3.385 156 E HA 0.332 4.682 4.350 -0.000 0.000 0.206 156 E C 0.300 176.860 176.600 -0.066 0.000 0.997 156 E CA -0.231 56.105 56.400 -0.107 0.000 1.278 156 E CB 0.653 30.294 29.700 -0.099 0.000 1.165 156 E HN 0.247 nan 8.360 nan 0.000 0.452 157 G N 1.733 110.500 108.800 -0.055 0.000 2.695 157 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.308 157 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.308 157 G C -0.459 174.412 174.900 -0.048 0.000 0.080 157 G CA 0.192 45.270 45.100 -0.037 0.000 1.200 157 G HN 0.328 nan 8.290 nan 0.000 0.575 158 E N 1.286 121.441 120.200 -0.075 0.000 2.314 158 E HA 0.446 4.796 4.350 -0.000 0.000 0.272 158 E C 1.086 177.582 176.600 -0.174 0.000 0.884 158 E CA -1.084 55.261 56.400 -0.092 0.000 0.753 158 E CB 1.632 31.287 29.700 -0.074 0.000 1.213 158 E HN 0.577 nan 8.360 nan 0.000 0.432 163 H N 2.371 121.432 119.070 -0.014 0.000 2.154 163 H HA -0.117 4.439 4.556 -0.000 0.000 0.115 163 H C 1.039 176.360 175.328 -0.012 0.000 0.646 163 H CA 1.303 57.343 56.048 -0.013 0.000 0.466 163 H CB -1.319 28.436 29.762 -0.012 0.000 0.323 163 H HN 0.766 nan 8.280 nan 0.000 0.301 164 M N 1.495 121.179 119.600 0.140 0.000 2.618 164 M HA 0.322 4.802 4.480 -0.000 0.000 0.240 164 M C 0.940 177.263 176.300 0.039 0.000 1.123 164 M CA 1.997 57.334 55.300 0.061 0.000 1.060 164 M CB 0.231 32.850 32.600 0.032 0.000 1.535 164 M HN 0.318 nan 8.290 nan 0.000 0.507 165 G N 0.424 109.248 108.800 0.040 0.000 3.274 165 G HA2 0.285 4.245 3.960 -0.000 0.000 0.250 165 G HA3 0.285 4.245 3.960 -0.000 0.000 0.250 165 G C 1.080 175.979 174.900 -0.002 0.000 1.024 165 G CA -0.260 44.850 45.100 0.015 0.000 0.840 165 G HN 0.408 nan 8.290 nan 0.000 0.522 166 L N 0.433 121.652 121.223 -0.006 0.000 2.270 166 L HA 0.160 4.500 4.340 -0.000 0.000 0.210 166 L C 3.027 179.881 176.870 -0.027 0.000 1.104 166 L CA 0.932 55.757 54.840 -0.025 0.000 0.804 166 L CB 0.004 42.041 42.059 -0.038 0.000 0.937 166 L HN 0.249 nan 8.230 nan 0.000 0.450 167 A N 0.201 123.009 122.820 -0.020 0.000 1.898 167 A HA 0.005 4.325 4.320 -0.000 0.000 0.214 167 A C 2.460 180.022 177.584 -0.037 0.000 1.183 167 A CA 1.160 53.181 52.037 -0.026 0.000 0.622 167 A CB -0.561 18.430 19.000 -0.014 0.000 0.824 167 A HN 0.308 nan 8.150 nan 0.000 0.444 168 A N -0.753 122.048 122.820 -0.032 0.000 2.186 168 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 168 A C 2.140 179.692 177.584 -0.054 0.000 1.159 168 A CA 1.421 53.432 52.037 -0.043 0.000 0.680 168 A CB -0.357 18.628 19.000 -0.025 0.000 0.787 168 A HN 0.525 nan 8.150 nan 0.000 0.467 169 R N -2.080 118.392 120.500 -0.047 0.000 2.250 169 R HA 0.254 4.594 4.340 -0.000 0.000 0.194 169 R C 2.069 178.337 176.300 -0.054 0.000 0.927 169 R CA 0.536 56.606 56.100 -0.050 0.000 1.052 169 R CB -0.177 30.101 30.300 -0.038 0.000 1.055 169 R HN 0.635 nan 8.270 nan 0.000 0.537 170 M N 0.367 119.937 119.600 -0.050 0.000 2.229 170 M HA -0.131 4.349 4.480 -0.000 0.000 0.264 170 M C 1.618 177.879 176.300 -0.064 0.000 1.063 170 M CA 1.395 56.666 55.300 -0.048 0.000 1.114 170 M CB 0.161 32.736 32.600 -0.042 0.000 1.387 170 M HN 0.069 nan 8.290 nan 0.000 0.420 171 M N -0.380 119.169 119.600 -0.085 0.000 2.091 171 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 171 M C 2.374 178.573 176.300 -0.168 0.000 1.076 171 M CA 1.719 56.939 55.300 -0.134 0.000 1.111 171 M CB -1.647 30.860 32.600 -0.154 0.000 1.291 171 M HN 0.327 nan 8.290 nan 0.000 0.417 172 S N -0.173 115.432 115.700 -0.158 0.000 2.444 172 S HA -0.229 4.241 4.470 -0.000 0.000 0.244 172 S C 1.632 176.148 174.600 -0.139 0.000 1.025 172 S CA 1.588 59.686 58.200 -0.171 0.000 0.995 172 S CB -0.073 63.062 63.200 -0.108 0.000 0.781 172 S HN 0.394 nan 8.310 nan 0.000 0.496 173 Q N 0.858 120.599 119.800 -0.099 0.000 1.447 173 Q HA 0.370 4.710 4.340 -0.000 0.000 0.583 173 Q C 1.655 177.625 176.000 -0.051 0.000 0.915 173 Q CA 1.304 57.072 55.803 -0.059 0.000 0.902 173 Q CB -0.551 28.163 28.738 -0.040 0.000 0.981 173 Q HN 0.395 nan 8.270 nan 0.000 0.359 174 A N 0.071 122.872 122.820 -0.031 0.000 2.150 174 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 174 A C 1.191 178.770 177.584 -0.010 0.000 1.356 174 A CA 0.388 52.423 52.037 -0.004 0.000 1.145 174 A CB -0.735 18.275 19.000 0.018 0.000 0.826 174 A HN 0.512 nan 8.150 nan 0.000 0.524 175 M N -0.801 118.759 119.600 -0.067 0.000 2.412 175 M HA 0.154 4.634 4.480 -0.000 0.000 0.263 175 M C 1.979 178.296 176.300 0.030 0.000 1.122 175 M CA 1.142 56.368 55.300 -0.123 0.000 1.179 175 M CB -0.258 32.098 32.600 -0.406 0.000 1.335 175 M HN 0.369 nan 8.290 nan 0.000 0.465 176 R N 0.587 121.149 120.500 0.103 0.000 2.094 176 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 176 R C 2.247 178.644 176.300 0.162 0.000 1.137 176 R CA 1.814 58.088 56.100 0.290 0.000 0.943 176 R CB -0.935 29.492 30.300 0.213 0.000 0.850 176 R HN 0.470 nan 8.270 nan 0.000 0.433 177 K N 0.520 120.978 120.400 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 0.080 0.000 1.047 177 K CA 1.172 57.503 56.287 0.073 0.000 0.930 177 K CB -0.100 32.433 32.500 0.054 0.000 0.720 177 K HN 0.125 nan 8.250 nan 0.000 0.450 178 L N -0.188 121.091 121.223 0.095 0.000 2.102 178 L HA -0.041 4.299 4.340 -0.000 0.000 0.202 178 L C 2.441 179.383 176.870 0.120 0.000 1.076 178 L CA 0.917 55.819 54.840 0.104 0.000 0.761 178 L CB -0.432 41.698 42.059 0.119 0.000 0.921 178 L HN 0.276 nan 8.230 nan 0.000 0.444 179 A N 0.057 122.978 122.820 0.169 0.000 1.985 179 A HA -0.273 4.046 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 2.289 54.427 52.037 0.168 0.000 0.658 179 A CB -1.176 17.967 19.000 0.239 0.000 0.820 179 A HN 0.523 nan 8.150 nan 0.000 0.464 180 G N -1.666 107.177 108.800 0.073 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 1.115 176.040 174.900 0.041 0.000 1.137 180 G CA 0.537 45.663 45.100 0.044 0.000 0.802 180 G HN 0.637 nan 8.290 nan 0.000 0.527 181 N N -0.095 118.635 118.700 0.050 0.000 2.575 181 N HA 0.157 4.897 4.740 -0.000 0.000 0.192 181 N C 1.524 177.057 175.510 0.040 0.000 1.200 181 N CA 0.044 53.120 53.050 0.043 0.000 0.897 181 N CB 0.092 38.608 38.487 0.048 0.000 0.990 181 N HN 0.295 nan 8.380 nan 0.000 0.449 182 L N -0.594 120.654 121.223 0.041 0.000 2.515 182 L HA 0.150 4.490 4.340 -0.000 0.000 0.202 182 L C 1.604 178.489 176.870 0.026 0.000 1.056 182 L CA 0.224 55.086 54.840 0.037 0.000 0.847 182 L CB -0.086 42.002 42.059 0.050 0.000 1.131 182 L HN -0.116 nan 8.230 nan 0.000 0.484 183 K N 0.431 120.845 120.400 0.023 0.000 2.442 183 K HA -0.237 4.083 4.320 -0.000 0.000 0.199 183 K C 1.927 178.534 176.600 0.012 0.000 1.044 183 K CA 1.094 57.389 56.287 0.014 0.000 0.941 183 K CB -0.025 32.481 32.500 0.009 0.000 0.759 183 K HN 0.184 nan 8.250 nan 0.000 0.472 184 Q N 0.152 119.962 119.800 0.016 0.000 2.062 184 Q HA -0.000 4.340 4.340 -0.000 0.000 0.196 184 Q C 1.254 177.261 176.000 0.012 0.000 0.967 184 Q CA 1.724 57.536 55.803 0.014 0.000 0.832 184 Q CB 0.256 29.005 28.738 0.018 0.000 0.899 184 Q HN 0.057 nan 8.270 nan 0.000 0.442 185 S N 0.087 115.795 115.700 0.014 0.000 2.540 185 S HA 0.184 4.654 4.470 -0.000 0.000 0.218 185 S C 0.061 174.666 174.600 0.008 0.000 0.977 185 S CA 0.250 58.457 58.200 0.011 0.000 0.918 185 S CB 0.218 63.426 63.200 0.014 0.000 0.806 185 S HN 0.503 nan 8.310 nan 0.000 0.496 186 N N 1.602 120.307 118.700 0.008 0.000 2.753 186 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 1.097 186 N CA 0.915 53.968 53.050 0.005 0.000 0.786 186 N CB -1.868 36.619 38.487 0.000 0.000 1.137 186 N HN 0.318 nan 8.380 nan 0.000 0.566 187 T N 1.110 115.670 114.554 0.010 0.000 2.784 187 T HA 0.226 4.576 4.350 -0.000 0.000 0.291 187 T C 0.511 175.218 174.700 0.011 0.000 0.942 187 T CA -0.344 61.761 62.100 0.009 0.000 1.161 187 T CB 0.542 69.418 68.868 0.013 0.000 0.885 187 T HN 0.214 nan 8.240 nan 0.000 0.534 188 L N 5.963 127.188 121.223 0.004 0.000 2.265 188 L HA 0.580 4.920 4.340 -0.000 0.000 0.288 188 L C -0.842 176.027 176.870 -0.001 0.000 1.058 188 L CA -0.217 54.626 54.840 0.005 0.000 0.809 188 L CB 0.450 42.507 42.059 -0.003 0.000 1.179 188 L HN 0.590 nan 8.230 nan 0.000 0.429 189 L N 6.405 127.637 121.223 0.017 0.000 2.333 189 L HA 0.557 4.897 4.340 -0.000 0.000 0.280 189 L C -0.896 175.981 176.870 0.011 0.000 1.004 189 L CA -0.357 54.475 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 0.651 nan 8.230 nan 0.000 0.416 190 I N 4.329 124.852 120.570 -0.079 0.000 2.382 190 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 190 I C -0.957 175.087 176.117 -0.121 0.000 1.002 190 I CA -0.283 61.001 61.300 -0.027 0.000 1.135 190 I CB 1.322 39.312 38.000 -0.016 0.000 1.288 190 I HN 0.390 nan 8.210 nan 0.000 0.448 191 F N 7.107 127.046 119.950 -0.018 0.000 2.420 191 F HA 0.501 5.028 4.527 -0.000 0.000 0.342 191 F C 0.387 176.184 175.800 -0.004 0.000 1.113 191 F CA -0.694 57.292 58.000 -0.023 0.000 1.059 191 F CB 1.318 40.301 39.000 -0.028 0.000 1.128 191 F HN 0.215 nan 8.300 nan 0.000 0.475 192 I N 1.395 122.056 120.570 0.153 0.000 2.378 192 I HA 0.612 4.782 4.170 -0.000 0.000 0.291 192 I C -0.893 175.305 176.117 0.135 0.000 0.992 192 I CA -0.589 60.786 61.300 0.126 0.000 1.154 192 I CB 1.650 39.696 38.000 0.077 0.000 1.315 192 I HN 0.445 nan 8.210 nan 0.000 0.448 193 N N 3.911 122.700 118.700 0.149 0.000 2.697 193 N HA 0.501 5.241 4.740 -0.000 0.000 0.272 193 N C -1.401 174.181 175.510 0.121 0.000 1.381 193 N CA -0.501 52.634 53.050 0.141 0.000 0.797 193 N CB 2.214 40.801 38.487 0.166 0.000 1.523 193 N HN 0.740 nan 8.380 nan 0.000 0.518 212 G N 0.404 109.194 108.800 -0.016 0.000 2.482 212 G HA2 0.010 3.970 3.960 -0.000 0.000 0.201 212 G HA3 0.010 3.970 3.960 -0.000 0.000 0.201 212 G C 0.181 175.050 174.900 -0.053 0.000 3.137 212 G CA -0.196 44.878 45.100 -0.044 0.000 0.798 212 G HN 0.243 nan 8.290 nan 0.000 0.493 213 N N 0.484 119.170 118.700 -0.022 0.000 2.573 213 N HA -0.052 4.688 4.740 -0.000 0.000 0.187 213 N C 2.222 177.748 175.510 0.027 0.000 1.107 213 N CA 1.095 54.154 53.050 0.015 0.000 0.918 213 N CB 0.213 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 1.137 123.922 122.820 -0.059 0.000 1.841 214 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 214 A C 2.095 179.584 177.584 -0.158 0.000 1.195 214 A CA 0.648 52.603 52.037 -0.136 0.000 0.611 214 A CB -0.857 17.994 19.000 -0.248 0.000 0.835 214 A HN 0.309 nan 8.150 nan 0.000 0.443 215 L N 0.364 121.451 121.223 -0.226 0.000 2.137 215 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 215 L C 2.303 179.098 176.870 -0.124 0.000 1.085 215 L CA 2.659 57.340 54.840 -0.265 0.000 0.760 215 L CB -0.519 41.299 42.059 -0.402 0.000 0.893 215 L HN 0.527 nan 8.230 nan 0.000 0.434 216 K N -1.262 119.092 120.400 -0.078 0.000 2.059 216 K HA -0.259 4.061 4.320 -0.000 0.000 0.212 216 K C 1.947 178.475 176.600 -0.120 0.000 1.050 216 K CA 2.302 58.515 56.287 -0.122 0.000 0.927 216 K CB -0.346 32.088 32.500 -0.111 0.000 0.714 216 K HN 0.382 nan 8.250 nan 0.000 0.447 217 F N -1.001 118.992 119.950 0.070 0.000 2.569 217 F HA 0.049 4.576 4.527 -0.000 0.000 0.295 217 F C 1.291 177.189 175.800 0.164 0.000 1.115 217 F CA 0.417 58.490 58.000 0.121 0.000 1.450 217 F CB 0.236 39.327 39.000 0.151 0.000 1.107 217 F HN 0.041 nan 8.300 nan 0.000 0.563 218 Y N -0.434 119.907 120.300 0.069 0.000 2.482 218 Y HA 0.365 4.915 4.550 -0.000 0.000 0.270 218 Y C 1.286 177.176 175.900 -0.016 0.000 1.152 218 Y CA -0.504 57.610 58.100 0.024 0.000 1.292 218 Y CB -0.122 38.338 38.460 -0.000 0.000 1.070 218 Y HN -0.139 nan 8.280 nan 0.000 0.528 219 A N 0.010 122.882 122.820 0.088 0.000 2.409 219 A HA 0.236 4.556 4.320 -0.000 0.000 0.262 219 A C 0.999 178.573 177.584 -0.016 0.000 1.113 219 A CA -0.121 51.922 52.037 0.010 0.000 0.790 219 A CB 0.414 19.376 19.000 -0.063 0.000 1.046 219 A HN 0.297 nan 8.150 nan 0.000 0.496 220 S N 0.762 116.458 115.700 -0.007 0.000 2.478 220 S HA 0.172 4.642 4.470 -0.000 0.000 0.222 220 S C 0.382 174.956 174.600 -0.043 0.000 1.008 220 S CA 0.443 58.629 58.200 -0.023 0.000 0.928 220 S CB 0.074 63.269 63.200 -0.009 0.000 0.781 220 S HN 0.561 nan 8.310 nan 0.000 0.518 221 V N 1.771 121.657 119.914 -0.046 0.000 2.851 221 V HA 0.464 4.584 4.120 -0.000 0.000 0.307 221 V C -1.114 174.928 176.094 -0.085 0.000 1.129 221 V CA -0.782 61.481 62.300 -0.062 0.000 0.932 221 V CB 2.293 34.094 31.823 -0.037 0.000 1.024 221 V HN 0.123 nan 8.190 nan 0.000 0.426 222 R N 4.508 124.933 120.500 -0.126 0.000 2.628 222 R HA 0.686 5.026 4.340 -0.000 0.000 0.288 222 R C -1.932 174.291 176.300 -0.130 0.000 0.980 222 R CA -0.910 55.081 56.100 -0.182 0.000 0.891 222 R CB 2.306 32.411 30.300 -0.325 0.000 1.188 222 R HN 0.322 nan 8.270 nan 0.000 0.450 223 L N 1.953 123.133 121.223 -0.071 0.000 2.362 223 L HA 0.312 4.652 4.340 -0.000 0.000 0.275 223 L C -0.345 176.671 176.870 0.244 0.000 0.998 223 L CA -0.536 54.339 54.840 0.058 0.000 0.820 223 L CB 1.616 43.722 42.059 0.079 0.000 1.270 223 L HN 0.545 nan 8.230 nan 0.000 0.415 224 D N 3.447 124.006 120.400 0.265 0.000 2.505 224 D HA 0.255 4.895 4.640 -0.000 0.000 0.242 224 D C -0.075 176.296 176.300 0.118 0.000 1.136 224 D CA -0.157 54.017 54.000 0.289 0.000 0.954 224 D CB 0.269 41.221 40.800 0.253 0.000 1.002 224 D HN 0.415 nan 8.370 nan 0.000 0.512 225 I N 2.174 122.810 120.570 0.111 0.000 2.529 225 I HA 0.305 4.475 4.170 -0.000 0.000 0.284 225 I C -0.233 175.882 176.117 -0.003 0.000 1.082 225 I CA -0.265 61.073 61.300 0.063 0.000 1.406 225 I CB 0.304 38.359 38.000 0.092 0.000 1.405 225 I HN 0.182 nan 8.210 nan 0.000 0.548 226 R N 6.622 127.104 120.500 -0.029 0.000 2.566 226 R HA 0.357 4.697 4.340 -0.000 0.000 0.271 226 R C -1.189 175.074 176.300 -0.063 0.000 1.071 226 R CA -0.894 55.177 56.100 -0.049 0.000 0.915 226 R CB 1.404 31.673 30.300 -0.053 0.000 1.228 226 R HN 0.668 nan 8.270 nan 0.000 0.449 227 R N 4.361 124.830 120.500 -0.052 0.000 2.267 227 R HA 0.222 4.562 4.340 -0.000 0.000 0.319 227 R C 0.784 177.058 176.300 -0.043 0.000 1.067 227 R CA 0.145 56.215 56.100 -0.051 0.000 0.936 227 R CB 0.361 30.644 30.300 -0.028 0.000 1.006 227 R HN 0.674 nan 8.270 nan 0.000 0.452 228 I N 0.542 121.082 120.570 -0.050 0.000 4.338 228 I HA 0.492 4.662 4.170 -0.000 0.000 0.329 228 I C 0.336 176.436 176.117 -0.028 0.000 1.378 228 I CA -0.289 60.989 61.300 -0.037 0.000 1.170 228 I CB 1.298 39.274 38.000 -0.039 0.000 1.206 228 I HN 0.630 nan 8.210 nan 0.000 0.432 229 G N 1.260 110.043 108.800 -0.028 0.000 3.111 229 G HA2 0.839 4.799 3.960 -0.000 0.000 0.158 229 G HA3 0.839 4.799 3.960 -0.000 0.000 0.158 229 G C -1.409 173.486 174.900 -0.009 0.000 1.161 229 G CA -0.205 44.884 45.100 -0.018 0.000 1.025 229 G HN 0.719 nan 8.290 nan 0.000 0.619 230 A N -1.878 120.937 122.820 -0.009 0.000 2.592 230 A HA 0.570 4.890 4.320 -0.000 0.000 0.300 230 A C -1.749 175.826 177.584 -0.015 0.000 0.994 230 A CA -0.179 51.854 52.037 -0.006 0.000 0.707 230 A CB 0.715 19.707 19.000 -0.013 0.000 1.273 230 A HN 1.574 nan 8.150 nan 0.000 0.413 231 V N 1.912 121.814 119.914 -0.020 0.000 2.555 231 V HA 0.600 4.720 4.120 -0.000 0.000 0.302 231 V C -0.048 176.018 176.094 -0.046 0.000 1.038 231 V CA -0.614 61.673 62.300 -0.022 0.000 0.887 231 V CB 1.786 33.608 31.823 -0.002 0.000 0.991 231 V HN 0.870 nan 8.190 nan 0.000 0.434 232 K N 2.417 122.794 120.400 -0.039 0.000 2.208 232 K HA 0.606 4.926 4.320 -0.000 0.000 0.247 232 K C -0.536 176.041 176.600 -0.039 0.000 0.953 232 K CA -0.686 55.572 56.287 -0.048 0.000 0.837 232 K CB 2.256 34.732 32.500 -0.040 0.000 1.131 232 K HN 0.610 nan 8.250 nan 0.000 0.431 233 E N 1.241 121.415 120.200 -0.044 0.000 2.698 233 E HA 0.135 4.485 4.350 -0.000 0.000 0.242 233 E C 0.424 177.006 176.600 -0.030 0.000 1.243 233 E CA -0.160 56.219 56.400 -0.035 0.000 1.483 233 E CB 0.394 30.072 29.700 -0.036 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 -0.026 0.000 4.148 234 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.221 234 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.221 234 G C 0.844 175.729 174.900 -0.026 0.000 1.373 234 G CA 0.244 45.331 45.100 -0.022 0.000 0.940 234 G HN 0.447 nan 8.290 nan 0.000 0.610 235 E N 1.860 122.042 120.200 -0.030 0.000 2.812 235 E HA 0.277 4.627 4.350 -0.000 0.000 0.211 235 E C -0.024 176.550 176.600 -0.043 0.000 0.986 235 E CA -0.025 56.356 56.400 -0.032 0.000 1.119 235 E CB 0.226 29.911 29.700 -0.025 0.000 1.046 235 E HN 0.668 nan 8.360 nan 0.000 0.474 236 N N -1.124 117.543 118.700 -0.056 0.000 2.525 236 N HA 0.120 4.860 4.740 -0.000 0.000 0.270 236 N C 1.013 176.453 175.510 -0.117 0.000 1.321 236 N CA -0.368 52.633 53.050 -0.081 0.000 0.797 236 N CB 2.408 40.846 38.487 -0.082 0.000 1.529 236 N HN -0.180 nan 8.380 nan 0.000 0.491 237 V N -1.037 118.776 119.914 -0.168 0.000 2.229 237 V HA -0.127 3.993 4.120 -0.000 0.000 0.243 237 V C 1.813 177.690 176.094 -0.362 0.000 1.042 237 V CA 1.405 63.553 62.300 -0.252 0.000 1.000 237 V CB -0.967 30.679 31.823 -0.295 0.000 0.637 237 V HN 0.581 nan 8.190 nan 0.000 0.446 238 V N 1.294 120.918 119.914 -0.483 0.000 2.045 238 V HA -0.355 3.765 4.120 -0.000 0.000 0.178 238 V C 1.350 177.253 176.094 -0.318 0.000 0.952 238 V CA 2.087 64.101 62.300 -0.476 0.000 1.254 238 V CB -1.435 30.276 31.823 -0.187 0.000 1.417 238 V HN 1.101 nan 8.190 nan 0.000 0.581 239 G N -2.331 106.350 108.800 -0.198 0.000 2.552 239 G HA2 0.608 4.568 3.960 -0.000 0.000 0.318 239 G HA3 0.608 4.568 3.960 -0.000 0.000 0.318 239 G C -0.650 174.298 174.900 0.080 0.000 1.240 239 G CA 0.357 45.452 45.100 -0.007 0.000 1.002 239 G HN 0.574 nan 8.290 nan 0.000 0.493 240 S N -0.322 115.440 115.700 0.104 0.000 2.417 240 S HA 0.144 4.614 4.470 -0.000 0.000 0.189 240 S C -0.728 173.874 174.600 0.003 0.000 1.005 240 S CA -0.665 57.587 58.200 0.087 0.000 1.116 240 S CB 1.223 64.512 63.200 0.148 0.000 1.343 240 S HN 0.739 nan 8.310 nan 0.000 0.406 241 E N 2.255 122.440 120.200 -0.024 0.000 2.406 241 E HA 0.247 4.597 4.350 -0.000 0.000 0.258 241 E C -0.333 176.182 176.600 -0.142 0.000 1.043 241 E CA 0.624 56.980 56.400 -0.072 0.000 0.929 241 E CB 0.344 30.019 29.700 -0.042 0.000 0.969 241 E HN 0.391 nan 8.360 nan 0.000 0.462 242 T N 5.574 119.947 114.554 -0.301 0.000 2.885 242 T HA 0.487 4.837 4.350 -0.000 0.000 0.285 242 T C -0.548 173.879 174.700 -0.455 0.000 1.019 242 T CA -0.841 61.007 62.100 -0.421 0.000 1.010 242 T CB 1.246 69.738 68.868 -0.628 0.000 1.022 242 T HN 0.273 nan 8.240 nan 0.000 0.466 243 R N 2.358 122.705 120.500 -0.255 0.000 2.473 243 R HA 0.538 4.878 4.340 -0.000 0.000 0.303 243 R C -1.978 174.306 176.300 -0.026 0.000 1.002 243 R CA -0.399 55.634 56.100 -0.111 0.000 0.884 243 R CB 1.298 31.565 30.300 -0.055 0.000 1.173 243 R HN 0.484 nan 8.270 nan 0.000 0.464 244 V N 4.898 124.853 119.914 0.068 0.000 2.417 244 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 244 V C -0.029 176.132 176.094 0.112 0.000 1.024 244 V CA -0.702 61.677 62.300 0.132 0.000 0.861 244 V CB 1.907 33.885 31.823 0.259 0.000 0.985 244 V HN 0.558 nan 8.190 nan 0.000 0.436 245 K N 3.508 123.963 120.400 0.092 0.000 2.182 245 K HA 0.649 4.969 4.320 -0.000 0.000 0.262 245 K C -1.129 175.500 176.600 0.049 0.000 0.957 245 K CA -0.584 55.745 56.287 0.070 0.000 0.842 245 K CB 1.946 34.485 32.500 0.064 0.000 1.099 245 K HN 0.458 nan 8.250 nan 0.000 0.438 246 V N 5.784 125.708 119.914 0.018 0.000 2.353 246 V HA 0.043 4.163 4.120 -0.000 0.000 0.264 246 V C 0.861 176.888 176.094 -0.111 0.000 1.049 246 V CA -0.215 62.069 62.300 -0.028 0.000 0.896 246 V CB 1.029 32.844 31.823 -0.013 0.000 1.025 246 V HN 0.725 nan 8.190 nan 0.000 0.475 247 V N 3.828 123.653 119.914 -0.148 0.000 2.575 247 V HA 0.160 4.280 4.120 -0.000 0.000 0.242 247 V C 0.898 176.808 176.094 -0.307 0.000 1.045 247 V CA 0.662 62.803 62.300 -0.265 0.000 1.065 247 V CB -0.149 31.548 31.823 -0.209 0.000 0.717 247 V HN 0.700 nan 8.190 nan 0.000 0.467 248 K N 1.552 121.815 120.400 -0.230 0.000 2.358 248 K HA 0.462 4.782 4.320 -0.000 0.000 0.260 248 K C -1.056 175.467 176.600 -0.128 0.000 0.956 248 K CA -0.323 55.844 56.287 -0.199 0.000 0.834 248 K CB 0.918 33.287 32.500 -0.219 0.000 1.102 248 K HN 0.191 nan 8.250 nan 0.000 0.431 249 N N 3.302 121.943 118.700 -0.097 0.000 2.594 249 N HA 0.181 4.921 4.740 -0.000 0.000 0.280 249 N C -0.931 174.560 175.510 -0.031 0.000 1.156 249 N CA -0.363 52.656 53.050 -0.052 0.000 0.831 249 N CB 1.147 39.615 38.487 -0.033 0.000 1.379 249 N HN 0.536 nan 8.380 nan 0.000 0.536 250 K N 2.154 122.537 120.400 -0.029 0.000 2.358 250 K HA 0.256 4.576 4.320 -0.000 0.000 0.197 250 K C 0.829 177.423 176.600 -0.009 0.000 1.025 250 K CA 0.081 56.359 56.287 -0.015 0.000 1.104 250 K CB 0.692 33.181 32.500 -0.017 0.000 0.855 250 K HN 0.377 nan 8.250 nan 0.000 0.531 251 I N 0.291 120.855 120.570 -0.011 0.000 2.731 251 I HA -0.032 4.138 4.170 -0.000 0.000 0.260 251 I C 1.137 177.253 176.117 -0.002 0.000 1.138 251 I CA 0.584 61.879 61.300 -0.008 0.000 1.461 251 I CB 0.404 38.397 38.000 -0.011 0.000 1.128 251 I HN 0.055 nan 8.210 nan 0.000 0.438 252 A N -0.558 122.263 122.820 0.001 0.000 2.770 252 A HA 0.872 5.192 4.320 -0.000 0.000 0.183 252 A C -0.540 177.056 177.584 0.021 0.000 1.077 252 A CA 0.241 52.284 52.037 0.010 0.000 1.468 252 A CB -0.485 18.520 19.000 0.009 0.000 2.037 252 A HN 0.017 nan 8.150 nan 0.000 0.730 253 A N 0.880 123.718 122.820 0.030 0.000 2.303 253 A HA 0.746 5.066 4.320 -0.000 0.000 0.320 253 A C -2.741 174.882 177.584 0.065 0.000 1.192 253 A CA -1.539 50.530 52.037 0.054 0.000 0.821 253 A CB 0.272 19.307 19.000 0.058 0.000 1.188 253 A HN 0.320 nan 8.150 nan 0.000 0.492 254 P HA 0.543 nan 4.420 nan 0.000 0.293 254 P C 0.174 177.586 177.300 0.187 0.000 1.298 254 P CA -0.216 62.918 63.100 0.056 0.000 0.757 254 P CB 0.083 31.779 31.700 -0.006 0.000 1.262 255 F N -4.527 115.426 119.950 0.006 0.000 2.666 255 F HA -0.251 4.276 4.527 -0.000 0.000 0.458 255 F C 0.702 176.514 175.800 0.020 0.000 0.561 255 F CA 1.221 59.229 58.000 0.013 0.000 1.129 255 F CB -1.577 37.429 39.000 0.011 0.000 1.751 255 F HN 0.191 nan 8.300 nan 0.000 0.275 256 K N 1.840 122.335 120.400 0.159 0.000 2.249 256 K HA 0.368 4.688 4.320 -0.000 0.000 0.280 256 K C 0.337 176.988 176.600 0.085 0.000 1.033 256 K CA -0.270 56.084 56.287 0.111 0.000 0.946 256 K CB 0.939 33.489 32.500 0.084 0.000 1.005 256 K HN 0.369 nan 8.250 nan 0.000 0.469 257 Q N 0.803 120.654 119.800 0.086 0.000 2.351 257 Q HA 0.768 5.107 4.340 -0.000 0.000 0.273 257 Q C -1.463 174.591 176.000 0.089 0.000 1.077 257 Q CA -1.213 54.640 55.803 0.083 0.000 0.843 257 Q CB 2.126 30.912 28.738 0.080 0.000 1.367 257 Q HN 0.523 nan 8.270 nan 0.000 0.449 258 A N 1.614 124.501 122.820 0.112 0.000 2.486 258 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 258 A C -1.409 176.300 177.584 0.208 0.000 1.048 258 A CA -0.786 51.336 52.037 0.142 0.000 0.696 258 A CB 1.781 20.861 19.000 0.133 0.000 1.278 258 A HN 0.795 nan 8.150 nan 0.000 0.405 259 E N 0.613 120.936 120.200 0.205 0.000 2.227 259 E HA 0.773 5.123 4.350 -0.000 0.000 0.268 259 E C -0.901 175.885 176.600 0.310 0.000 0.907 259 E CA -0.455 56.045 56.400 0.168 0.000 0.786 259 E CB 2.103 31.846 29.700 0.072 0.000 1.191 259 E HN 0.696 nan 8.360 nan 0.000 0.411 260 F N -1.387 118.590 119.950 0.045 0.000 3.461 260 F HA 0.451 4.977 4.527 -0.000 0.000 0.328 260 F C -1.586 174.246 175.800 0.053 0.000 1.160 260 F CA -1.063 56.968 58.000 0.051 0.000 0.879 260 F CB 1.180 40.213 39.000 0.055 0.000 1.559 260 F HN 0.201 nan 8.300 nan 0.000 0.510 261 Q N 0.765 120.735 119.800 0.283 0.000 2.423 261 Q HA 0.722 5.062 4.340 -0.000 0.000 0.278 261 Q C -1.698 174.448 176.000 0.243 0.000 1.097 261 Q CA -0.917 54.969 55.803 0.139 0.000 0.809 261 Q CB 3.506 32.323 28.738 0.130 0.000 1.391 261 Q HN 0.587 nan 8.270 nan 0.000 0.428 262 I N 2.141 122.804 120.570 0.155 0.000 2.466 262 I HA 0.323 4.493 4.170 -0.000 0.000 0.289 262 I C -1.312 174.932 176.117 0.211 0.000 1.026 262 I CA -0.835 60.586 61.300 0.202 0.000 1.078 262 I CB 1.588 39.693 38.000 0.175 0.000 1.249 262 I HN 0.273 nan 8.210 nan 0.000 0.429 263 L N 6.366 127.722 121.223 0.222 0.000 2.307 263 L HA 0.356 4.696 4.340 -0.000 0.000 0.284 263 L C -0.509 176.556 176.870 0.325 0.000 1.023 263 L CA -0.243 54.743 54.840 0.243 0.000 0.810 263 L CB 0.750 42.908 42.059 0.165 0.000 1.231 263 L HN 0.337 nan 8.230 nan 0.000 0.423 264 Y N 3.687 124.037 120.300 0.083 0.000 2.854 264 Y HA 0.188 4.738 4.550 -0.000 0.000 0.372 264 Y C 1.503 177.471 175.900 0.114 0.000 1.330 264 Y CA 0.710 58.850 58.100 0.067 0.000 1.765 264 Y CB -0.030 38.440 38.460 0.016 0.000 1.277 264 Y HN 0.873 nan 8.280 nan 0.000 0.498 265 G N 2.759 111.759 108.800 0.334 0.000 2.130 265 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 265 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 265 G C 0.298 175.347 174.900 0.248 0.000 0.999 265 G CA 0.328 45.636 45.100 0.346 0.000 0.686 265 G HN 0.662 nan 8.290 nan 0.000 0.515 266 E N -1.672 118.667 120.200 0.231 0.000 2.640 266 E HA 0.427 4.777 4.350 -0.000 0.000 0.197 266 E C 1.242 177.882 176.600 0.066 0.000 0.925 266 E CA 0.838 57.304 56.400 0.110 0.000 1.604 266 E CB 0.822 30.585 29.700 0.105 0.000 1.769 266 E HN 1.775 nan 8.360 nan 0.000 0.965 267 G N 1.364 110.236 108.800 0.121 0.000 2.698 267 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.225 267 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.225 267 G C -0.199 174.780 174.900 0.132 0.000 1.345 267 G CA -0.378 44.774 45.100 0.087 0.000 0.871 267 G HN 0.152 nan 8.290 nan 0.000 0.540 268 I N 0.410 121.060 120.570 0.132 0.000 2.932 268 I HA 0.021 4.191 4.170 -0.000 0.000 0.295 268 I C 0.730 176.941 176.117 0.158 0.000 1.227 268 I CA 0.423 61.826 61.300 0.171 0.000 1.429 268 I CB 0.342 38.379 38.000 0.060 0.000 1.339 268 I HN 0.490 nan 8.210 nan 0.000 0.589 269 N N 5.119 123.926 118.700 0.178 0.000 2.898 269 N HA 0.206 4.946 4.740 -0.000 0.000 0.245 269 N C 0.440 176.003 175.510 0.087 0.000 1.185 269 N CA -0.572 52.551 53.050 0.121 0.000 0.879 269 N CB 0.301 38.860 38.487 0.120 0.000 1.157 269 N HN 0.469 nan 8.380 nan 0.000 0.503 270 F N 0.973 120.852 119.950 -0.118 0.000 2.407 270 F HA 0.080 4.607 4.527 -0.000 0.000 0.299 270 F C 0.733 176.443 175.800 -0.149 0.000 1.097 270 F CA 0.431 58.322 58.000 -0.182 0.000 1.422 270 F CB -0.304 38.531 39.000 -0.274 0.000 1.067 270 F HN 0.196 nan 8.300 nan 0.000 0.539 271 Y N 1.937 121.946 120.300 -0.485 0.000 2.200 271 Y HA 0.050 4.600 4.550 -0.000 0.000 0.290 271 Y C 2.793 178.600 175.900 -0.154 0.000 1.137 271 Y CA 0.964 58.842 58.100 -0.370 0.000 1.163 271 Y CB -1.242 36.976 38.460 -0.404 0.000 0.988 271 Y HN 0.191 nan 8.280 nan 0.000 0.518 272 G N 0.508 109.343 108.800 0.058 0.000 2.491 272 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 272 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 272 G C 1.459 176.394 174.900 0.059 0.000 1.180 272 G CA 1.389 46.519 45.100 0.051 0.000 0.774 272 G HN 0.601 nan 8.290 nan 0.000 0.562 273 E N 0.000 120.253 120.200 0.087 0.000 2.274 273 E HA 0.031 4.381 4.350 -0.000 0.000 0.194 273 E C 2.334 178.986 176.600 0.087 0.000 0.996 273 E CA 0.379 56.840 56.400 0.101 0.000 0.840 273 E CB -0.231 29.546 29.700 0.128 0.000 0.772 273 E HN 0.343 nan 8.360 nan 0.000 0.491 274 L N 1.703 122.971 121.223 0.075 0.000 1.994 274 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 274 L C 2.341 179.259 176.870 0.079 0.000 1.071 274 L CA 1.406 56.293 54.840 0.079 0.000 0.745 274 L CB -0.621 41.478 42.059 0.067 0.000 0.892 274 L HN 0.050 nan 8.230 nan 0.000 0.431 275 V N 0.216 120.164 119.914 0.057 0.000 2.231 275 V HA -0.405 3.715 4.120 -0.000 0.000 0.250 275 V C 2.341 178.496 176.094 0.102 0.000 1.058 275 V CA 2.239 64.568 62.300 0.048 0.000 1.022 275 V CB -1.036 30.745 31.823 -0.071 0.000 0.640 275 V HN 0.465 nan 8.190 nan 0.000 0.445 276 D N -0.263 120.192 120.400 0.092 0.000 2.190 276 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 276 D C 1.897 178.265 176.300 0.113 0.000 0.992 276 D CA 1.151 55.221 54.000 0.117 0.000 0.854 276 D CB -0.192 40.668 40.800 0.100 0.000 0.936 276 D HN 0.280 nan 8.370 nan 0.000 0.462 277 L N 0.222 121.506 121.223 0.101 0.000 2.131 277 L HA 0.094 4.434 4.340 -0.000 0.000 0.206 277 L C 2.553 179.484 176.870 0.101 0.000 1.087 277 L CA 1.185 56.081 54.840 0.093 0.000 0.767 277 L CB -1.225 40.884 42.059 0.083 0.000 0.917 277 L HN 0.028 nan 8.230 nan 0.000 0.441 278 G N -1.215 107.654 108.800 0.117 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 1.655 176.641 174.900 0.144 0.000 1.131 278 G CA 0.875 46.056 45.100 0.135 0.000 0.775 278 G HN 0.234 nan 8.290 nan 0.000 0.547 279 V N 0.663 120.668 119.914 0.153 0.000 2.237 279 V HA -0.140 3.980 4.120 -0.000 0.000 0.245 279 V C 2.695 178.849 176.094 0.100 0.000 1.046 279 V CA 2.110 64.497 62.300 0.144 0.000 1.007 279 V CB -0.347 31.577 31.823 0.167 0.000 0.638 279 V HN 0.303 nan 8.190 nan 0.000 0.445 280 K N -0.251 120.203 120.400 0.090 0.000 2.283 280 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 280 K C 1.029 177.669 176.600 0.066 0.000 1.048 280 K CA 0.851 57.180 56.287 0.070 0.000 0.948 280 K CB 0.084 32.624 32.500 0.066 0.000 0.742 280 K HN 0.399 nan 8.250 nan 0.000 0.458 281 E N 1.147 121.393 120.200 0.076 0.000 2.405 281 E HA 0.028 4.378 4.350 -0.000 0.000 0.214 281 E C 0.036 176.683 176.600 0.077 0.000 1.101 281 E CA -0.130 56.313 56.400 0.071 0.000 1.254 281 E CB 0.666 30.409 29.700 0.072 0.000 1.240 281 E HN 0.136 nan 8.360 nan 0.000 0.439 282 K N -1.000 119.444 120.400 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 0.093 0.000 0.402 282 K CA 1.581 57.909 56.287 0.069 0.000 1.893 282 K CB -1.912 30.619 32.500 0.052 0.000 0.843 282 K HN 0.264 nan 8.250 nan 0.000 0.751 283 L N 0.847 122.140 121.223 0.117 0.000 2.123 283 L HA -0.144 4.196 4.340 -0.000 0.000 0.217 283 L C 1.389 178.404 176.870 0.243 0.000 1.081 283 L CA 1.629 56.573 54.840 0.174 0.000 0.772 283 L CB -0.255 41.925 42.059 0.201 0.000 0.890 283 L HN 0.242 nan 8.230 nan 0.000 0.437 284 I N -0.895 119.806 120.570 0.219 0.000 2.412 284 I HA 0.175 4.345 4.170 -0.000 0.000 0.296 284 I C -0.134 176.084 176.117 0.169 0.000 0.987 284 I CA -0.392 61.057 61.300 0.248 0.000 1.180 284 I CB 1.645 39.804 38.000 0.266 0.000 1.340 284 I HN -0.034 nan 8.210 nan 0.000 0.455 285 E N 5.363 125.649 120.200 0.144 0.000 2.166 285 E HA 0.289 4.639 4.350 -0.000 0.000 0.275 285 E C -0.749 175.849 176.600 -0.003 0.000 0.941 285 E CA -0.840 55.597 56.400 0.062 0.000 0.784 285 E CB 1.937 31.662 29.700 0.042 0.000 1.115 285 E HN 0.293 nan 8.360 nan 0.000 0.399 286 K N 2.163 122.508 120.400 -0.091 0.000 2.268 286 K HA 0.357 4.677 4.320 -0.000 0.000 0.276 286 K C -0.767 175.738 176.600 -0.159 0.000 1.080 286 K CA -0.257 55.868 56.287 -0.269 0.000 0.910 286 K CB 0.818 33.133 32.500 -0.308 0.000 1.163 286 K HN 0.565 nan 8.250 nan 0.000 0.465 287 A N 3.826 126.570 122.820 -0.126 0.000 3.181 287 A HA 0.400 4.720 4.320 -0.000 0.000 0.293 287 A C 0.926 178.489 177.584 -0.035 0.000 1.346 287 A CA 0.296 52.304 52.037 -0.049 0.000 1.018 287 A CB -0.443 18.555 19.000 -0.003 0.000 1.093 287 A HN 1.082 nan 8.150 nan 0.000 0.629 288 G N 0.104 108.857 108.800 -0.079 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 1.400 176.273 174.900 -0.045 0.000 1.492 288 G CA 0.866 45.939 45.100 -0.044 0.000 0.991 288 G HN 1.593 nan 8.290 nan 0.000 0.749 289 A N -1.095 121.750 122.820 0.041 0.000 1.969 289 A HA 0.524 4.844 4.320 -0.000 0.000 0.205 289 A C 0.740 178.399 177.584 0.126 0.000 1.364 289 A CA 0.858 52.946 52.037 0.085 0.000 0.756 289 A CB -0.097 18.982 19.000 0.132 0.000 0.988 289 A HN 0.691 nan 8.150 nan 0.000 0.490 290 W N 0.545 121.842 121.300 -0.005 0.000 2.446 290 W HA 0.448 5.108 4.660 -0.000 0.000 0.316 290 W C -0.559 175.964 176.519 0.007 0.000 1.376 290 W CA 0.301 57.665 57.345 0.032 0.000 1.300 290 W CB -0.280 29.178 29.460 -0.004 0.000 1.351 290 W HN 0.268 nan 8.180 nan 0.000 0.530 291 Y N 2.246 122.605 120.300 0.098 0.000 2.301 291 Y HA 0.339 4.889 4.550 -0.000 0.000 0.328 291 Y C 0.913 176.865 175.900 0.087 0.000 1.242 291 Y CA 0.337 58.480 58.100 0.071 0.000 1.323 291 Y CB 1.086 39.556 38.460 0.017 0.000 1.266 291 Y HN 0.171 nan 8.280 nan 0.000 0.527 292 S N 0.934 116.765 115.700 0.219 0.000 2.599 292 S HA 0.372 4.842 4.470 -0.000 0.000 0.294 292 S C -1.826 172.914 174.600 0.233 0.000 1.094 292 S CA -0.608 57.692 58.200 0.167 0.000 0.931 292 S CB 1.076 64.338 63.200 0.102 0.000 1.093 292 S HN 0.489 nan 8.310 nan 0.000 0.488 293 Y N 2.259 122.584 120.300 0.041 0.000 2.470 293 Y HA 0.406 4.956 4.550 -0.000 0.000 0.352 293 Y C -0.544 175.387 175.900 0.051 0.000 0.967 293 Y CA -0.795 57.344 58.100 0.065 0.000 1.121 293 Y CB -0.507 38.008 38.460 0.091 0.000 1.149 293 Y HN 0.793 nan 8.280 nan 0.000 0.641 294 K N 2.269 122.614 120.400 -0.091 0.000 4.868 294 K HA -0.200 4.120 4.320 -0.000 0.000 0.324 294 K C 1.075 177.621 176.600 -0.091 0.000 0.971 294 K CA 1.034 57.243 56.287 -0.131 0.000 1.034 294 K CB -1.213 31.150 32.500 -0.228 0.000 1.672 294 K HN 1.095 nan 8.250 nan 0.000 0.426 295 G N 0.805 109.582 108.800 -0.038 0.000 2.900 295 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.223 295 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.223 295 G C -0.088 174.808 174.900 -0.006 0.000 1.293 295 G CA 0.223 45.307 45.100 -0.026 0.000 0.792 295 G HN 0.484 nan 8.290 nan 0.000 0.527 296 E N 2.801 123.007 120.200 0.009 0.000 2.059 296 E HA 0.195 4.545 4.350 -0.000 0.000 0.262 296 E C 0.460 177.070 176.600 0.015 0.000 1.230 296 E CA 0.254 56.676 56.400 0.037 0.000 0.951 296 E CB 0.129 29.896 29.700 0.112 0.000 1.038 296 E HN 0.472 nan 8.360 nan 0.000 0.425 297 K N 2.926 123.327 120.400 0.002 0.000 2.401 297 K HA 0.051 4.371 4.320 -0.000 0.000 0.278 297 K C 1.501 178.005 176.600 -0.159 0.000 1.018 297 K CA 0.082 56.390 56.287 0.036 0.000 0.981 297 K CB 0.684 33.282 32.500 0.162 0.000 0.933 297 K HN 0.506 nan 8.250 nan 0.000 0.477 298 I N -1.621 118.809 120.570 -0.233 0.000 3.718 298 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 298 I C 0.752 176.554 176.117 -0.525 0.000 1.220 298 I CA -0.164 60.713 61.300 -0.705 0.000 1.381 298 I CB 0.790 38.375 38.000 -0.692 0.000 1.238 298 I HN 0.606 nan 8.210 nan 0.000 0.448 299 G N 1.142 109.766 108.800 -0.292 0.000 2.328 299 G HA2 0.227 4.187 3.960 -0.000 0.000 0.295 299 G HA3 0.227 4.187 3.960 -0.000 0.000 0.295 299 G C -2.107 172.446 174.900 -0.579 0.000 1.413 299 G CA -0.615 44.236 45.100 -0.414 0.000 0.817 299 G HN 0.212 nan 8.290 nan 0.000 0.546 300 Q N 0.280 119.641 119.800 -0.732 0.000 2.347 300 Q HA 0.531 4.871 4.340 -0.000 0.000 0.262 300 Q C 0.528 176.352 176.000 -0.293 0.000 0.980 300 Q CA 0.576 55.933 55.803 -0.742 0.000 0.867 300 Q CB 0.911 29.087 28.738 -0.936 0.000 1.242 300 Q HN 2.323 nan 8.270 nan 0.000 0.453 301 G N 2.962 111.712 108.800 -0.083 0.000 2.698 301 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.225 301 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.225 301 G C -0.117 174.760 174.900 -0.038 0.000 1.345 301 G CA -0.034 45.083 45.100 0.027 0.000 0.871 301 G HN 0.667 nan 8.290 nan 0.000 0.540 302 K N -0.090 120.274 120.400 -0.061 0.000 2.361 302 K HA 0.363 4.683 4.320 -0.000 0.000 0.196 302 K C 2.755 179.250 176.600 -0.175 0.000 1.039 302 K CA 1.437 57.588 56.287 -0.228 0.000 1.001 302 K CB -0.283 32.159 32.500 -0.097 0.000 0.795 302 K HN 0.786 nan 8.250 nan 0.000 0.495 303 A N 1.401 124.154 122.820 -0.113 0.000 1.898 303 A HA -0.116 4.204 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 1.347 53.329 52.037 -0.091 0.000 0.620 303 A CB -0.282 18.678 19.000 -0.068 0.000 0.819 303 A HN 0.266 nan 8.150 nan 0.000 0.442 304 N N -0.383 118.236 118.700 -0.135 0.000 2.405 304 N HA 0.105 4.845 4.740 -0.000 0.000 0.175 304 N C 1.772 177.214 175.510 -0.113 0.000 1.051 304 N CA 1.016 53.989 53.050 -0.128 0.000 0.899 304 N CB -0.154 38.228 38.487 -0.176 0.000 1.000 304 N HN 0.424 nan 8.380 nan 0.000 0.451 305 A N 0.406 123.112 122.820 -0.189 0.000 1.898 305 A HA -0.071 4.248 4.320 -0.000 0.000 0.216 305 A C 2.287 179.813 177.584 -0.097 0.000 1.181 305 A CA 1.654 53.572 52.037 -0.197 0.000 0.620 305 A CB -0.810 17.866 19.000 -0.540 0.000 0.819 305 A HN 0.206 nan 8.150 nan 0.000 0.442 306 T N 0.325 114.799 114.554 -0.133 0.000 2.737 306 T HA 0.044 4.394 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 1.351 63.391 62.100 -0.101 0.000 1.144 306 T CB -0.427 68.393 68.868 -0.080 0.000 0.866 306 T HN 0.556 nan 8.240 nan 0.000 0.434 307 A N -0.282 122.482 122.820 -0.093 0.000 2.225 307 A HA -0.048 4.272 4.320 -0.000 0.000 0.215 307 A C 1.870 179.417 177.584 -0.060 0.000 1.164 307 A CA 0.937 52.918 52.037 -0.094 0.000 0.710 307 A CB -0.801 18.160 19.000 -0.065 0.000 0.780 307 A HN 0.741 nan 8.150 nan 0.000 0.473 308 W N -0.320 120.851 121.300 -0.215 0.000 2.580 308 W HA 0.155 4.815 4.660 -0.000 0.000 0.287 308 W C 1.280 177.650 176.519 -0.248 0.000 1.175 308 W CA 0.808 58.036 57.345 -0.194 0.000 1.409 308 W CB -0.178 29.195 29.460 -0.145 0.000 1.101 308 W HN 0.144 nan 8.180 nan 0.000 0.558 309 L N 1.451 122.460 121.223 -0.358 0.000 2.549 309 L HA -0.134 4.206 4.340 -0.000 0.000 0.230 309 L C 2.272 178.597 176.870 -0.908 0.000 1.162 309 L CA 1.069 55.531 54.840 -0.630 0.000 0.834 309 L CB -0.648 41.230 42.059 -0.302 0.000 0.947 309 L HN 0.002 nan 8.230 nan 0.000 0.452 310 K N -0.157 119.734 120.400 -0.848 0.000 2.076 310 K HA -0.108 4.212 4.320 -0.000 0.000 0.204 310 K C 1.466 177.757 176.600 -0.514 0.000 1.051 310 K CA 1.009 56.806 56.287 -0.815 0.000 0.949 310 K CB 0.174 32.350 32.500 -0.540 0.000 0.726 310 K HN 0.186 nan 8.250 nan 0.000 0.443 311 D N 0.526 120.652 120.400 -0.457 0.000 2.224 311 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 311 D C 0.144 176.201 176.300 -0.404 0.000 0.965 311 D CA 0.844 54.633 54.000 -0.353 0.000 0.852 311 D CB 0.038 40.680 40.800 -0.262 0.000 0.947 311 D HN 0.122 nan 8.370 nan 0.000 0.494 312 N N 0.973 119.301 118.700 -0.619 0.000 2.699 312 N HA 0.123 4.863 4.740 -0.000 0.000 0.232 312 N C -1.946 173.331 175.510 -0.388 0.000 1.027 312 N CA -1.060 51.654 53.050 -0.560 0.000 0.920 312 N CB 2.345 40.268 38.487 -0.941 0.000 1.148 312 N HN -0.025 nan 8.380 nan 0.000 0.509 313 P HA -0.055 nan 4.420 nan 0.000 0.213 313 P C 0.982 178.239 177.300 -0.072 0.000 1.169 313 P CA 1.051 64.086 63.100 -0.108 0.000 0.885 313 P CB 0.564 32.227 31.700 -0.062 0.000 0.779 314 E N -0.437 119.722 120.200 -0.067 0.000 2.097 314 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 314 E C 1.941 178.521 176.600 -0.033 0.000 1.000 314 E CA 2.094 58.474 56.400 -0.033 0.000 0.804 314 E CB -0.736 28.952 29.700 -0.020 0.000 0.740 314 E HN 0.406 nan 8.360 nan 0.000 0.454 315 T N -0.763 113.743 114.554 -0.079 0.000 2.867 315 T HA 0.005 4.355 4.350 -0.000 0.000 0.268 315 T C 2.014 176.657 174.700 -0.095 0.000 1.057 315 T CA 0.874 62.929 62.100 -0.075 0.000 1.136 315 T CB -0.127 68.675 68.868 -0.111 0.000 0.874 315 T HN 0.171 nan 8.240 nan 0.000 0.466 316 A N 2.449 125.205 122.820 -0.106 0.000 1.832 316 A HA -0.008 4.312 4.320 -0.000 0.000 0.214 316 A C 2.381 179.982 177.584 0.028 0.000 1.200 316 A CA 1.642 53.659 52.037 -0.034 0.000 0.610 316 A CB -0.796 18.229 19.000 0.041 0.000 0.842 316 A HN 0.482 nan 8.150 nan 0.000 0.444 317 K N -0.471 119.957 120.400 0.046 0.000 2.207 317 K HA -0.275 4.045 4.320 -0.000 0.000 0.208 317 K C 2.052 178.677 176.600 0.043 0.000 1.046 317 K CA 1.956 58.276 56.287 0.054 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 0.579 120.802 120.200 0.038 0.000 2.028 318 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 318 E C 1.911 178.550 176.600 0.065 0.000 0.988 318 E CA 1.236 57.668 56.400 0.053 0.000 0.799 318 E CB 0.010 29.752 29.700 0.070 0.000 0.755 318 E HN 0.258 nan 8.360 nan 0.000 0.447 319 I N 0.985 121.592 120.570 0.062 0.000 2.315 319 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 319 I C 2.568 178.728 176.117 0.072 0.000 1.117 319 I CA 1.044 62.391 61.300 0.079 0.000 1.404 319 I CB -0.438 37.598 38.000 0.060 0.000 1.071 319 I HN 0.233 nan 8.210 nan 0.000 0.419 320 E N 1.871 122.111 120.200 0.066 0.000 2.082 320 E HA -0.365 3.985 4.350 -0.000 0.000 0.215 320 E C 2.209 178.835 176.600 0.043 0.000 1.048 320 E CA 2.178 58.616 56.400 0.064 0.000 0.869 320 E CB -0.070 29.672 29.700 0.071 0.000 0.773 320 E HN 0.333 nan 8.360 nan 0.000 0.466 321 K N 0.195 120.617 120.400 0.037 0.000 2.009 321 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 321 K C 2.232 178.853 176.600 0.035 0.000 1.049 321 K CA 1.845 58.148 56.287 0.027 0.000 0.929 321 K CB -0.024 32.491 32.500 0.025 0.000 0.714 321 K HN 0.027 nan 8.250 nan 0.000 0.440 322 K N 0.123 120.553 120.400 0.050 0.000 2.281 322 K HA -0.128 4.192 4.320 -0.000 0.000 0.203 322 K C 1.841 178.473 176.600 0.053 0.000 1.046 322 K CA 1.176 57.496 56.287 0.056 0.000 0.938 322 K CB 0.080 32.625 32.500 0.075 0.000 0.737 322 K HN 0.040 nan 8.250 nan 0.000 0.458 323 V N 0.602 120.548 119.914 0.053 0.000 2.346 323 V HA -0.160 3.960 4.120 -0.000 0.000 0.244 323 V C 2.153 178.268 176.094 0.034 0.000 1.037 323 V CA 1.261 63.590 62.300 0.049 0.000 1.029 323 V CB -0.446 31.410 31.823 0.055 0.000 0.663 323 V HN 0.245 nan 8.190 nan 0.000 0.454 324 R N 0.262 120.776 120.500 0.024 0.000 2.113 324 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 324 R C 2.267 178.575 176.300 0.013 0.000 1.142 324 R CA 2.201 58.307 56.100 0.010 0.000 0.953 324 R CB -0.320 29.979 30.300 -0.002 0.000 0.860 324 R HN 0.619 nan 8.270 nan 0.000 0.438 325 E N 0.133 120.344 120.200 0.017 0.000 2.347 325 E HA -0.094 4.256 4.350 -0.000 0.000 0.196 325 E C 1.508 178.120 176.600 0.020 0.000 1.008 325 E CA 0.478 56.888 56.400 0.017 0.000 0.852 325 E CB 0.124 29.835 29.700 0.018 0.000 0.783 325 E HN 0.312 nan 8.360 nan 0.000 0.505 326 L N 0.286 121.524 121.223 0.026 0.000 2.591 326 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 326 L C 1.329 178.214 176.870 0.026 0.000 1.133 326 L CA 0.233 55.090 54.840 0.028 0.000 0.880 326 L CB 0.265 42.345 42.059 0.035 0.000 1.033 326 L HN 0.152 nan 8.230 nan 0.000 0.450 327 L N -2.534 118.703 121.223 0.023 0.000 2.678 327 L HA 0.158 4.498 4.340 -0.000 0.000 0.187 327 L C 0.487 177.368 176.870 0.017 0.000 1.073 327 L CA -0.423 54.430 54.840 0.022 0.000 0.883 327 L CB -0.015 42.059 42.059 0.025 0.000 1.501 327 L HN -0.113 nan 8.230 nan 0.000 0.488 1007 Q N 0.447 120.250 119.800 0.005 0.000 2.444 1007 Q HA 0.176 4.516 4.340 -0.000 0.000 0.206 1007 Q C -0.048 175.957 176.000 0.007 0.000 0.948 1007 Q CA 0.565 56.372 55.803 0.006 0.000 0.946 1007 Q CB 0.327 29.068 28.738 0.005 0.000 1.027 1007 Q HN 0.152 nan 8.270 nan 0.000 0.513 1008 K N -0.811 119.594 120.400 0.007 0.000 2.438 1008 K HA 0.272 4.592 4.320 -0.000 0.000 0.205 1008 K C 0.967 177.572 176.600 0.010 0.000 1.033 1008 K CA 0.028 56.320 56.287 0.009 0.000 1.089 1008 K CB 0.938 33.442 32.500 0.007 0.000 0.857 1008 K HN 0.020 nan 8.250 nan 0.000 0.522 1009 A N 0.720 123.546 122.820 0.009 0.000 2.067 1009 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 1009 A C 1.805 179.397 177.584 0.014 0.000 1.156 1009 A CA 0.780 52.824 52.037 0.011 0.000 0.683 1009 A CB -0.007 18.998 19.000 0.009 0.000 0.808 1009 A HN 0.225 nan 8.150 nan 0.000 0.455 1010 L N -0.717 120.514 121.223 0.013 0.000 2.121 1010 L HA 0.282 4.622 4.340 -0.000 0.000 0.200 1010 L C 2.689 179.570 176.870 0.019 0.000 1.132 1010 L CA 1.659 56.509 54.840 0.016 0.000 0.782 1010 L CB -0.812 41.256 42.059 0.014 0.000 0.940 1010 L HN 0.235 nan 8.230 nan 0.000 0.458 1011 A N -0.282 122.547 122.820 0.016 0.000 1.997 1011 A HA -0.261 4.059 4.320 -0.000 0.000 0.221 1011 A C 2.279 179.873 177.584 0.017 0.000 1.172 1011 A CA 2.346 54.393 52.037 0.017 0.000 0.645 1011 A CB -1.272 17.736 19.000 0.013 0.000 0.813 1011 A HN 0.660 nan 8.150 nan 0.000 0.454 1012 A N -0.617 122.213 122.820 0.015 0.000 1.855 1012 A HA 0.356 4.675 4.320 -0.000 0.000 0.213 1012 A C 2.413 180.009 177.584 0.019 0.000 1.195 1012 A CA 1.535 53.581 52.037 0.015 0.000 0.610 1012 A CB -0.957 18.050 19.000 0.012 0.000 0.837 1012 A HN 1.139 nan 8.150 nan 0.000 0.444 1013 A N -0.709 122.124 122.820 0.021 0.000 2.216 1013 A HA 0.188 4.508 4.320 -0.000 0.000 0.214 1013 A C 1.998 179.604 177.584 0.037 0.000 1.160 1013 A CA 0.839 52.892 52.037 0.028 0.000 0.725 1013 A CB -0.452 18.564 19.000 0.027 0.000 0.784 1013 A HN 0.476 nan 8.150 nan 0.000 0.472 1014 L N -1.151 120.093 121.223 0.035 0.000 2.013 1014 L HA -0.016 4.324 4.340 -0.000 0.000 0.204 1014 L C 2.836 179.734 176.870 0.047 0.000 1.081 1014 L CA 1.096 55.962 54.840 0.043 0.000 0.751 1014 L CB -1.007 41.074 42.059 0.036 0.000 0.901 1014 L HN 0.441 nan 8.230 nan 0.000 0.440 1015 G N -0.908 107.913 108.800 0.035 0.000 2.581 1015 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.223 1015 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.223 1015 G C 1.446 176.365 174.900 0.032 0.000 1.094 1015 G CA 0.495 45.614 45.100 0.031 0.000 0.736 1015 G HN 0.366 nan 8.290 nan 0.000 0.588 1016 Q N -0.183 119.636 119.800 0.033 0.000 2.020 1016 Q HA -0.085 4.255 4.340 -0.000 0.000 0.202 1016 Q C 2.724 178.754 176.000 0.049 0.000 0.982 1016 Q CA 1.059 56.879 55.803 0.028 0.000 0.838 1016 Q CB -0.248 28.507 28.738 0.028 0.000 0.899 1016 Q HN 0.496 nan 8.270 nan 0.000 0.423 1017 I N 0.868 121.496 120.570 0.098 0.000 2.614 1017 I HA -0.147 4.023 4.170 -0.000 0.000 0.258 1017 I C 2.033 178.280 176.117 0.216 0.000 1.189 1017 I CA 0.962 62.384 61.300 0.203 0.000 1.462 1017 I CB -1.159 36.958 38.000 0.195 0.000 1.092 1017 I HN 0.218 nan 8.210 nan 0.000 0.442 1018 E N 1.367 121.638 120.200 0.120 0.000 2.006 1018 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 1018 E C 2.154 178.796 176.600 0.069 0.000 0.993 1018 E CA 0.968 57.426 56.400 0.097 0.000 0.808 1018 E CB -0.105 29.632 29.700 0.061 0.000 0.764 1018 E HN 0.377 nan 8.360 nan 0.000 0.449 1019 K N 1.005 121.422 120.400 0.028 0.000 2.152 1019 K HA -0.218 4.102 4.320 -0.000 0.000 0.206 1019 K C 2.141 178.708 176.600 -0.056 0.000 1.048 1019 K CA 1.254 57.536 56.287 -0.008 0.000 0.933 1019 K CB -0.012 32.478 32.500 -0.017 0.000 0.721 1019 K HN 0.073 nan 8.250 nan 0.000 0.447 1020 Q N -1.053 118.689 119.800 -0.098 0.000 2.167 1020 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 1020 Q C 0.274 175.946 176.000 -0.547 0.000 0.970 1020 Q CA 1.194 56.794 55.803 -0.337 0.000 0.855 1020 Q CB 0.231 28.720 28.738 -0.414 0.000 0.911 1020 Q HN 0.238 nan 8.270 nan 0.000 0.438 1021 F N -0.646 119.305 119.950 0.002 0.000 2.764 1021 F HA 0.383 4.910 4.527 -0.000 0.000 0.310 1021 F C 0.258 176.056 175.800 -0.003 0.000 1.124 1021 F CA 0.240 58.240 58.000 0.000 0.000 1.252 1021 F CB 1.373 40.376 39.000 0.005 0.000 1.010 1021 F HN 0.022 nan 8.300 nan 0.000 0.518 1022 G N 1.239 110.103 108.800 0.107 0.000 2.879 1022 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 1022 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 1022 G C -0.655 174.285 174.900 0.068 0.000 1.115 1022 G CA -1.274 43.867 45.100 0.067 0.000 0.770 1022 G HN 0.117 nan 8.290 nan 0.000 0.601 1023 K N 0.913 121.336 120.400 0.038 0.000 2.402 1023 K HA 0.521 4.841 4.320 -0.000 0.000 0.285 1023 K C 1.006 177.627 176.600 0.036 0.000 1.054 1023 K CA 1.482 57.790 56.287 0.034 0.000 1.001 1023 K CB 0.716 33.227 32.500 0.019 0.000 0.946 1023 K HN 2.275 nan 8.250 nan 0.000 0.473 1024 G N 2.453 111.280 108.800 0.045 0.000 2.905 1024 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.245 1024 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.245 1024 G C -0.005 174.925 174.900 0.050 0.000 1.004 1024 G CA -0.005 45.120 45.100 0.042 0.000 1.089 1024 G HN 0.668 nan 8.290 nan 0.000 0.456 1025 S N 0.547 116.284 115.700 0.061 0.000 3.051 1025 S HA 0.572 5.042 4.470 -0.000 0.000 0.250 1025 S C 0.046 174.677 174.600 0.052 0.000 0.906 1025 S CA 0.334 58.569 58.200 0.058 0.000 1.234 1025 S CB 0.171 63.409 63.200 0.062 0.000 1.175 1025 S HN 1.984 nan 8.310 nan 0.000 0.635 1026 I N 1.567 122.173 120.570 0.060 0.000 2.800 1026 I HA 0.612 4.782 4.170 -0.000 0.000 0.294 1026 I C -2.268 173.888 176.117 0.065 0.000 1.538 1026 I CA -0.944 60.395 61.300 0.064 0.000 1.010 1026 I CB 1.933 39.962 38.000 0.049 0.000 1.381 1026 I HN 0.378 nan 8.210 nan 0.000 0.462 1027 M N 4.411 124.055 119.600 0.073 0.000 2.790 1027 M HA 0.503 4.983 4.480 -0.000 0.000 0.272 1027 M C -1.681 174.658 176.300 0.065 0.000 1.168 1027 M CA -1.014 54.323 55.300 0.063 0.000 0.829 1027 M CB 1.907 34.540 32.600 0.056 0.000 1.675 1027 M HN 0.511 nan 8.290 nan 0.000 0.505 1028 R N 0.643 121.172 120.500 0.048 0.000 2.643 1028 R HA 0.363 4.703 4.340 -0.000 0.000 0.270 1028 R C 0.659 176.986 176.300 0.044 0.000 1.061 1028 R CA -0.165 55.958 56.100 0.038 0.000 1.107 1028 R CB 0.702 31.017 30.300 0.025 0.000 0.999 1028 R HN 0.622 nan 8.270 nan 0.000 0.460 1029 L N 1.115 122.361 121.223 0.038 0.000 2.068 1029 L HA 0.040 4.380 4.340 -0.000 0.000 0.204 1029 L C 1.594 178.486 176.870 0.037 0.000 1.076 1029 L CA 1.115 55.984 54.840 0.049 0.000 0.753 1029 L CB -0.220 41.863 42.059 0.040 0.000 0.910 1029 L HN 0.789 nan 8.230 nan 0.000 0.439 1030 G N 1.104 109.917 108.800 0.022 0.000 2.916 1030 G HA2 0.204 4.164 3.960 -0.000 0.000 0.280 1030 G HA3 0.204 4.164 3.960 -0.000 0.000 0.280 1030 G C -0.334 174.576 174.900 0.018 0.000 0.758 1030 G CA -0.010 45.100 45.100 0.017 0.000 1.993 1030 G HN 0.207 nan 8.290 nan 0.000 0.564 1031 E N 0.705 120.918 120.200 0.021 0.000 2.292 1031 E HA 0.170 4.520 4.350 -0.000 0.000 0.272 1031 E C -0.581 176.028 176.600 0.016 0.000 0.881 1031 E CA -0.621 55.790 56.400 0.019 0.000 0.754 1031 E CB 1.940 31.653 29.700 0.022 0.000 1.201 1031 E HN 0.245 nan 8.360 nan 0.000 0.425 1032 D N 0.881 121.289 120.400 0.013 0.000 2.340 1032 D HA 0.010 4.650 4.640 -0.000 0.000 0.220 1032 D C -0.010 176.296 176.300 0.009 0.000 1.039 1032 D CA 0.244 54.250 54.000 0.010 0.000 0.866 1032 D CB 0.266 41.071 40.800 0.009 0.000 0.913 1032 D HN -0.081 nan 8.370 nan 0.000 0.523 1033 R N 1.442 121.948 120.500 0.011 0.000 2.309 1033 R HA 0.161 4.501 4.340 -0.000 0.000 0.331 1033 R C -0.519 175.786 176.300 0.008 0.000 1.116 1033 R CA 0.056 56.163 56.100 0.010 0.000 0.970 1033 R CB 0.068 30.377 30.300 0.014 0.000 1.024 1033 R HN 0.079 nan 8.270 nan 0.000 0.472 1034 S N 3.998 119.701 115.700 0.004 0.000 2.530 1034 S HA 0.350 4.820 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 -1.096 57.104 58.200 -0.000 0.000 1.096 1034 S CB 1.258 64.455 63.200 -0.005 0.000 0.988 1034 S HN 0.424 nan 8.310 nan 0.000 0.466 1035 M N 1.729 121.329 119.600 -0.000 0.000 2.252 1035 M HA 0.187 4.667 4.480 -0.000 0.000 0.329 1035 M C -0.186 176.111 176.300 -0.005 0.000 1.101 1035 M CA 0.082 55.381 55.300 -0.001 0.000 1.117 1035 M CB -0.344 32.256 32.600 0.000 0.000 1.563 1035 M HN 0.519 nan 8.290 nan 0.000 0.445 1036 D N 2.270 122.667 120.400 -0.005 0.000 2.845 1036 D HA 0.288 4.928 4.640 -0.000 0.000 0.235 1036 D C -0.593 175.701 176.300 -0.009 0.000 1.158 1036 D CA -0.075 53.921 54.000 -0.007 0.000 0.990 1036 D CB 0.109 40.906 40.800 -0.006 0.000 1.094 1036 D HN 0.442 nan 8.370 nan 0.000 0.486 1037 V N -1.412 118.495 119.914 -0.012 0.000 2.716 1037 V HA 0.413 4.533 4.120 -0.000 0.000 0.304 1037 V C 0.602 176.685 176.094 -0.019 0.000 1.053 1037 V CA -1.055 61.236 62.300 -0.015 0.000 0.984 1037 V CB 1.743 33.557 31.823 -0.015 0.000 1.021 1037 V HN 0.071 nan 8.190 nan 0.000 0.467 1038 E N 2.056 122.244 120.200 -0.019 0.000 2.415 1038 E HA 0.250 4.600 4.350 -0.000 0.000 0.263 1038 E C 0.033 176.616 176.600 -0.028 0.000 0.995 1038 E CA 0.306 56.693 56.400 -0.022 0.000 0.915 1038 E CB 0.925 30.613 29.700 -0.020 0.000 0.951 1038 E HN 1.004 nan 8.360 nan 0.000 0.449 1039 T N 1.094 115.630 114.554 -0.030 0.000 2.797 1039 T HA 0.526 4.876 4.350 -0.000 0.000 0.279 1039 T C -0.191 174.484 174.700 -0.042 0.000 0.991 1039 T CA -0.902 61.175 62.100 -0.038 0.000 0.979 1039 T CB 0.858 69.702 68.868 -0.038 0.000 0.943 1039 T HN 0.149 nan 8.240 nan 0.000 0.444 1040 I N 2.722 123.262 120.570 -0.049 0.000 2.418 1040 I HA 0.333 4.503 4.170 -0.000 0.000 0.287 1040 I C 0.703 176.779 176.117 -0.069 0.000 1.008 1040 I CA -0.574 60.694 61.300 -0.054 0.000 1.104 1040 I CB 1.716 39.687 38.000 -0.049 0.000 1.264 1040 I HN 0.843 nan 8.210 nan 0.000 0.438 1041 S N 3.524 119.177 115.700 -0.078 0.000 2.537 1041 S HA 0.028 4.498 4.470 -0.000 0.000 0.286 1041 S C 1.581 176.108 174.600 -0.122 0.000 1.299 1041 S CA 0.089 58.224 58.200 -0.109 0.000 1.067 1041 S CB 0.389 63.516 63.200 -0.121 0.000 0.864 1041 S HN 0.781 nan 8.310 nan 0.000 0.494 1042 T N 2.398 116.865 114.554 -0.146 0.000 3.035 1042 T HA 0.240 4.590 4.350 -0.000 0.000 0.268 1042 T C 1.539 176.132 174.700 -0.178 0.000 1.109 1042 T CA 0.924 62.937 62.100 -0.145 0.000 1.119 1042 T CB -0.358 68.417 68.868 -0.155 0.000 0.900 1042 T HN 1.346 nan 8.240 nan 0.000 0.503 1043 G N 0.611 109.270 108.800 -0.235 0.000 2.284 1043 G HA2 -0.198 3.761 3.960 -0.000 0.000 0.216 1043 G HA3 -0.198 3.761 3.960 -0.000 0.000 0.216 1043 G C 0.297 174.928 174.900 -0.447 0.000 1.009 1043 G CA 0.158 45.086 45.100 -0.288 0.000 0.625 1043 G HN 1.110 nan 8.290 nan 0.000 0.501 1044 S N 1.316 116.730 115.700 -0.478 0.000 2.433 1044 S HA 0.668 5.138 4.470 -0.000 0.000 0.310 1044 S C 1.751 176.070 174.600 -0.468 0.000 1.097 1044 S CA -0.436 57.387 58.200 -0.627 0.000 1.103 1044 S CB 0.755 63.365 63.200 -0.983 0.000 0.992 1044 S HN 0.337 nan 8.310 nan 0.000 0.469 1045 L N 4.145 125.095 121.223 -0.455 0.000 1.990 1045 L HA -0.129 4.211 4.340 -0.000 0.000 0.213 1045 L C 2.856 179.595 176.870 -0.218 0.000 1.072 1045 L CA 2.373 57.032 54.840 -0.302 0.000 0.755 1045 L CB -1.567 40.339 42.059 -0.257 0.000 0.889 1045 L HN 0.926 nan 8.230 nan 0.000 0.432 1046 S N -0.680 114.890 115.700 -0.217 0.000 2.442 1046 S HA -0.179 4.291 4.470 -0.000 0.000 0.236 1046 S C 1.926 176.460 174.600 -0.110 0.000 1.007 1046 S CA 0.857 58.985 58.200 -0.120 0.000 0.965 1046 S CB -0.523 62.649 63.200 -0.046 0.000 0.773 1046 S HN 0.392 nan 8.310 nan 0.000 0.504 1047 L N 1.405 122.512 121.223 -0.193 0.000 2.034 1047 L HA -0.066 4.274 4.340 -0.000 0.000 0.203 1047 L C 2.112 178.913 176.870 -0.117 0.000 1.074 1047 L CA 1.738 56.496 54.840 -0.137 0.000 0.748 1047 L CB -0.531 41.419 42.059 -0.182 0.000 0.905 1047 L HN 0.155 nan 8.230 nan 0.000 0.439 1048 D N 0.284 120.596 120.400 -0.146 0.000 2.170 1048 D HA -0.270 4.370 4.640 -0.000 0.000 0.193 1048 D C 2.106 178.357 176.300 -0.081 0.000 1.004 1048 D CA 1.715 55.647 54.000 -0.114 0.000 0.860 1048 D CB -0.281 40.441 40.800 -0.129 0.000 0.931 1048 D HN 0.367 nan 8.370 nan 0.000 0.448 1049 I N 0.880 121.404 120.570 -0.077 0.000 2.127 1049 I HA -0.279 3.891 4.170 -0.000 0.000 0.241 1049 I C 2.380 178.477 176.117 -0.033 0.000 1.075 1049 I CA 1.474 62.746 61.300 -0.048 0.000 1.334 1049 I CB -0.162 37.814 38.000 -0.040 0.000 1.040 1049 I HN -0.046 nan 8.210 nan 0.000 0.405 1050 A N -0.026 122.774 122.820 -0.032 0.000 2.119 1050 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 1050 A C 2.255 179.820 177.584 -0.032 0.000 1.152 1050 A CA 0.688 52.714 52.037 -0.018 0.000 0.708 1050 A CB -0.595 18.403 19.000 -0.003 0.000 0.805 1050 A HN 0.369 nan 8.150 nan 0.000 0.460 1051 L N -1.476 119.718 121.223 -0.049 0.000 2.042 1051 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 1051 L C 2.291 179.134 176.870 -0.044 0.000 1.076 1051 L CA 1.523 56.329 54.840 -0.057 0.000 0.749 1051 L CB -0.284 41.736 42.059 -0.066 0.000 0.893 1051 L HN 0.607 nan 8.230 nan 0.000 0.432 1052 G N -1.869 106.910 108.800 -0.035 0.000 2.399 1052 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.216 1052 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.216 1052 G C 1.048 175.933 174.900 -0.025 0.000 1.096 1052 G CA 0.422 45.509 45.100 -0.023 0.000 0.650 1052 G HN 0.446 nan 8.290 nan 0.000 0.512 1053 A N 0.482 123.282 122.820 -0.033 0.000 2.072 1053 A HA 0.540 4.860 4.320 -0.000 0.000 0.216 1053 A C 2.490 180.052 177.584 -0.036 0.000 1.156 1053 A CA 2.171 54.189 52.037 -0.031 0.000 0.701 1053 A CB -0.513 18.467 19.000 -0.034 0.000 0.816 1053 A HN 2.596 nan 8.150 nan 0.000 0.458 1054 G N -2.122 106.650 108.800 -0.047 0.000 2.203 1054 G HA2 0.399 4.359 3.960 -0.000 0.000 0.231 1054 G HA3 0.399 4.359 3.960 -0.000 0.000 0.231 1054 G C 0.761 175.622 174.900 -0.066 0.000 1.058 1054 G CA 0.313 45.379 45.100 -0.057 0.000 0.781 1054 G HN 2.281 nan 8.290 nan 0.000 0.496 1055 G N -1.582 107.176 108.800 -0.070 0.000 2.347 1055 G HA2 0.440 4.399 3.960 -0.000 0.000 0.321 1055 G HA3 0.440 4.399 3.960 -0.000 0.000 0.321 1055 G C -0.533 174.328 174.900 -0.065 0.000 1.412 1055 G CA -0.565 44.491 45.100 -0.073 0.000 0.990 1055 G HN 0.984 nan 8.290 nan 0.000 0.637 1056 L N 1.843 123.027 121.223 -0.065 0.000 2.367 1056 L HA 0.336 4.675 4.340 -0.000 0.000 0.275 1056 L C -1.495 175.345 176.870 -0.050 0.000 1.129 1056 L CA -1.628 53.176 54.840 -0.059 0.000 0.839 1056 L CB 1.182 43.204 42.059 -0.061 0.000 1.133 1056 L HN 0.329 nan 8.230 nan 0.000 0.453 1057 P HA -0.064 nan 4.420 nan 0.000 0.257 1057 P C -0.173 177.105 177.300 -0.037 0.000 1.227 1057 P CA 0.059 63.136 63.100 -0.039 0.000 0.981 1057 P CB 0.227 31.905 31.700 -0.038 0.000 1.044 1058 M N 2.672 122.251 119.600 -0.034 0.000 2.338 1058 M HA 0.017 4.497 4.480 -0.000 0.000 0.360 1058 M C 1.468 177.751 176.300 -0.028 0.000 1.547 1058 M CA 1.482 56.764 55.300 -0.032 0.000 1.001 1058 M CB -0.970 31.614 32.600 -0.027 0.000 2.008 1058 M HN 0.777 nan 8.290 nan 0.000 0.464 1059 G N 3.587 112.369 108.800 -0.030 0.000 2.130 1059 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.216 1059 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.216 1059 G C -0.000 174.885 174.900 -0.025 0.000 0.999 1059 G CA -0.425 44.660 45.100 -0.025 0.000 0.686 1059 G HN 0.586 nan 8.290 nan 0.000 0.515 1060 R N -0.983 119.498 120.500 -0.031 0.000 2.922 1060 R HA 0.711 5.050 4.340 -0.000 0.000 0.256 1060 R C -0.268 176.014 176.300 -0.029 0.000 1.138 1060 R CA -1.004 55.081 56.100 -0.026 0.000 0.995 1060 R CB 0.948 31.232 30.300 -0.027 0.000 1.226 1060 R HN 0.184 nan 8.270 nan 0.000 0.481 1061 I N 1.474 122.042 120.570 -0.003 0.000 2.321 1061 I HA 0.288 4.458 4.170 -0.000 0.000 0.291 1061 I C -0.364 175.763 176.117 0.017 0.000 0.998 1061 I CA -0.858 60.449 61.300 0.012 0.000 1.227 1061 I CB 1.770 39.840 38.000 0.117 0.000 1.368 1061 I HN 0.007 nan 8.210 nan 0.000 0.466 1062 V N 6.129 126.035 119.914 -0.013 0.000 2.378 1062 V HA 0.278 4.398 4.120 -0.000 0.000 0.288 1062 V C -0.018 176.101 176.094 0.042 0.000 1.016 1062 V CA -0.655 61.639 62.300 -0.011 0.000 0.840 1062 V CB 1.625 33.421 31.823 -0.046 0.000 0.994 1062 V HN 0.709 nan 8.190 nan 0.000 0.431 1063 E N 5.247 125.478 120.200 0.051 0.000 2.109 1063 E HA 0.488 4.838 4.350 -0.000 0.000 0.278 1063 E C -1.113 175.473 176.600 -0.022 0.000 0.954 1063 E CA -0.578 55.875 56.400 0.089 0.000 0.779 1063 E CB 1.070 30.833 29.700 0.104 0.000 1.093 1063 E HN 0.681 nan 8.360 nan 0.000 0.401 1064 I N 6.574 127.148 120.570 0.007 0.000 2.306 1064 I HA 0.186 4.356 4.170 -0.000 0.000 0.288 1064 I C -0.500 175.644 176.117 0.045 0.000 1.036 1064 I CA -0.968 60.303 61.300 -0.047 0.000 1.221 1064 I CB -0.079 37.914 38.000 -0.012 0.000 1.385 1064 I HN 0.436 nan 8.210 nan 0.000 0.472 1065 Y N 4.310 124.612 120.300 0.003 0.000 2.453 1065 Y HA 0.969 5.519 4.550 -0.000 0.000 0.326 1065 Y C 0.042 175.941 175.900 -0.002 0.000 1.186 1065 Y CA -2.484 55.615 58.100 -0.001 0.000 1.200 1065 Y CB 1.419 39.870 38.460 -0.015 0.000 1.247 1065 Y HN 0.573 nan 8.280 nan 0.000 0.482 1066 G N 1.490 110.492 108.800 0.337 0.000 2.433 1066 G HA2 0.374 4.333 3.960 -0.000 0.000 0.306 1066 G HA3 0.374 4.333 3.960 -0.000 0.000 0.306 1066 G C -3.491 171.456 174.900 0.079 0.000 1.627 1066 G CA -1.343 43.883 45.100 0.210 0.000 0.893 1066 G HN 0.492 nan 8.290 nan 0.000 0.648 1067 P HA -0.047 nan 4.420 nan 0.000 0.263 1067 P C 0.812 178.119 177.300 0.010 0.000 1.145 1067 P CA 0.734 63.840 63.100 0.009 0.000 0.755 1067 P CB 0.248 31.952 31.700 0.008 0.000 0.746 1068 E N 1.945 122.145 120.200 -0.000 0.000 2.534 1068 E HA -0.037 4.313 4.350 -0.000 0.000 0.264 1068 E C -0.200 176.395 176.600 -0.009 0.000 0.981 1068 E CA 0.069 56.467 56.400 -0.003 0.000 0.948 1068 E CB -0.369 29.325 29.700 -0.009 0.000 0.934 1068 E HN 0.344 nan 8.360 nan 0.000 0.459 1069 S N 1.092 116.783 115.700 -0.016 0.000 3.587 1069 S HA -0.215 4.255 4.470 -0.000 0.000 0.337 1069 S C 0.827 175.407 174.600 -0.034 0.000 1.119 1069 S CA 0.948 59.127 58.200 -0.035 0.000 0.976 1069 S CB -2.062 61.116 63.200 -0.037 0.000 0.922 1069 S HN 0.764 nan 8.310 nan 0.000 0.503 1070 S N -0.211 115.478 115.700 -0.018 0.000 2.439 1070 S HA 0.463 4.933 4.470 -0.000 0.000 0.224 1070 S C 1.732 176.314 174.600 -0.030 0.000 1.029 1070 S CA 0.711 58.902 58.200 -0.016 0.000 0.946 1070 S CB 0.362 63.568 63.200 0.009 0.000 0.797 1070 S HN 1.846 nan 8.310 nan 0.000 0.504 1071 G N 2.044 110.832 108.800 -0.021 0.000 2.425 1071 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.177 1071 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.177 1071 G C 0.859 175.776 174.900 0.028 0.000 0.999 1071 G CA 0.158 45.249 45.100 -0.014 0.000 0.723 1071 G HN 0.491 nan 8.290 nan 0.000 0.491 1072 K N -0.095 120.325 120.400 0.033 0.000 2.034 1072 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 1072 K C 1.967 178.604 176.600 0.062 0.000 1.051 1072 K CA 2.051 58.369 56.287 0.051 0.000 0.931 1072 K CB -0.914 31.620 32.500 0.057 0.000 0.715 1072 K HN 0.160 nan 8.250 nan 0.000 0.446 1073 T N 0.754 115.346 114.554 0.063 0.000 2.833 1073 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 1073 T C 1.718 176.478 174.700 0.100 0.000 1.054 1073 T CA 1.830 63.981 62.100 0.085 0.000 1.135 1073 T CB -0.407 68.515 68.868 0.090 0.000 0.869 1073 T HN 0.455 nan 8.240 nan 0.000 0.466 1074 T N 2.264 116.886 114.554 0.113 0.000 2.622 1074 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 1074 T C 1.860 176.619 174.700 0.098 0.000 1.047 1074 T CA 1.259 63.460 62.100 0.167 0.000 1.159 1074 T CB -0.585 68.399 68.868 0.194 0.000 0.863 1074 T HN 0.296 nan 8.240 nan 0.000 0.422 1075 L N 0.510 121.789 121.223 0.093 0.000 2.079 1075 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 1075 L C 2.552 179.440 176.870 0.030 0.000 1.081 1075 L CA 1.489 56.368 54.840 0.066 0.000 0.752 1075 L CB -0.679 41.435 42.059 0.091 0.000 0.896 1075 L HN 0.262 nan 8.230 nan 0.000 0.433 1076 T N -0.010 114.571 114.554 0.046 0.000 2.674 1076 T HA -0.179 4.171 4.350 -0.000 0.000 0.265 1076 T C 1.706 176.422 174.700 0.027 0.000 1.039 1076 T CA 1.651 63.777 62.100 0.044 0.000 1.150 1076 T CB -0.208 68.709 68.868 0.081 0.000 0.864 1076 T HN 0.172 nan 8.240 nan 0.000 0.427 1077 L N 1.232 122.469 121.223 0.024 0.000 2.362 1077 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 1077 L C 2.567 179.407 176.870 -0.051 0.000 1.134 1077 L CA 1.345 56.169 54.840 -0.027 0.000 0.807 1077 L CB -0.543 41.497 42.059 -0.032 0.000 0.927 1077 L HN 0.225 nan 8.230 nan 0.000 0.447 1078 Q N -1.000 118.777 119.800 -0.038 0.000 2.187 1078 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 1078 Q C 2.319 178.279 176.000 -0.067 0.000 0.957 1078 Q CA 1.583 57.349 55.803 -0.062 0.000 0.857 1078 Q CB -0.004 28.698 28.738 -0.061 0.000 0.929 1078 Q HN 0.566 nan 8.270 nan 0.000 0.453 1079 V N -1.341 118.541 119.914 -0.053 0.000 2.307 1079 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 1079 V C 2.257 178.322 176.094 -0.048 0.000 1.045 1079 V CA 1.248 63.515 62.300 -0.055 0.000 1.024 1079 V CB -0.980 30.815 31.823 -0.046 0.000 0.651 1079 V HN 0.153 nan 8.190 nan 0.000 0.449 1080 I N 1.332 121.878 120.570 -0.040 0.000 2.315 1080 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 1080 I C 2.893 178.977 176.117 -0.055 0.000 1.125 1080 I CA 1.637 62.911 61.300 -0.043 0.000 1.392 1080 I CB -0.723 37.248 38.000 -0.048 0.000 1.065 1080 I HN 0.402 nan 8.210 nan 0.000 0.424 1081 A N 1.038 123.819 122.820 -0.064 0.000 1.835 1081 A HA -0.175 4.145 4.320 -0.000 0.000 0.215 1081 A C 2.581 180.132 177.584 -0.055 0.000 1.199 1081 A CA 2.011 54.008 52.037 -0.067 0.000 0.615 1081 A CB -1.071 17.884 19.000 -0.076 0.000 0.838 1081 A HN 0.409 nan 8.150 nan 0.000 0.444 1082 A N -0.587 122.199 122.820 -0.058 0.000 1.972 1082 A HA 0.179 4.499 4.320 -0.000 0.000 0.219 1082 A C 2.398 179.957 177.584 -0.043 0.000 1.169 1082 A CA 2.103 54.109 52.037 -0.051 0.000 0.635 1082 A CB -0.840 18.120 19.000 -0.067 0.000 0.810 1082 A HN 1.096 nan 8.150 nan 0.000 0.446 1083 A N -1.257 121.537 122.820 -0.043 0.000 1.970 1083 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 1083 A C 2.051 179.616 177.584 -0.031 0.000 1.170 1083 A CA 1.227 53.243 52.037 -0.036 0.000 0.645 1083 A CB -0.333 18.646 19.000 -0.035 0.000 0.816 1083 A HN 0.585 nan 8.150 nan 0.000 0.447 1084 Q N -1.125 118.654 119.800 -0.034 0.000 2.378 1084 Q HA 0.031 4.371 4.340 -0.000 0.000 0.205 1084 Q C 1.846 177.828 176.000 -0.029 0.000 0.954 1084 Q CA 0.542 56.326 55.803 -0.032 0.000 0.901 1084 Q CB 0.074 28.788 28.738 -0.039 0.000 0.981 1084 Q HN 0.585 nan 8.270 nan 0.000 0.483 1085 R N 0.346 120.829 120.500 -0.029 0.000 2.317 1085 R HA 0.034 4.374 4.340 -0.000 0.000 0.208 1085 R C 0.227 176.516 176.300 -0.020 0.000 0.914 1085 R CA 0.262 56.348 56.100 -0.024 0.000 1.060 1085 R CB 0.537 30.823 30.300 -0.023 0.000 1.015 1085 R HN 0.088 nan 8.270 nan 0.000 0.498 1086 E N -0.668 119.520 120.200 -0.021 0.000 2.830 1086 E HA 0.148 4.498 4.350 -0.000 0.000 0.225 1086 E C 0.288 176.878 176.600 -0.016 0.000 1.109 1086 E CA 0.064 56.454 56.400 -0.018 0.000 1.392 1086 E CB 1.000 30.688 29.700 -0.019 0.000 1.349 1086 E HN 0.456 nan 8.360 nan 0.000 0.433 1087 G N 1.642 110.433 108.800 -0.015 0.000 2.451 1087 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.253 1087 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.253 1087 G C 0.502 175.394 174.900 -0.013 0.000 1.033 1087 G CA 0.574 45.666 45.100 -0.013 0.000 0.633 1087 G HN 0.324 nan 8.290 nan 0.000 0.537 1088 K N 1.589 121.980 120.400 -0.015 0.000 2.380 1088 K HA 0.441 4.761 4.320 -0.000 0.000 0.267 1088 K C 0.428 177.020 176.600 -0.014 0.000 0.990 1088 K CA 0.926 57.204 56.287 -0.014 0.000 0.946 1088 K CB 0.418 32.907 32.500 -0.018 0.000 0.937 1088 K HN 0.441 nan 8.250 nan 0.000 0.491 1089 T N -1.230 113.318 114.554 -0.010 0.000 2.841 1089 T HA 0.544 4.894 4.350 -0.000 0.000 0.283 1089 T C -0.233 174.464 174.700 -0.004 0.000 1.000 1089 T CA -0.968 61.128 62.100 -0.007 0.000 0.977 1089 T CB 0.644 69.511 68.868 -0.002 0.000 0.979 1089 T HN 0.575 nan 8.240 nan 0.000 0.446 1090 C N 1.595 120.895 119.300 -0.001 0.000 2.779 1090 C HA 0.986 5.446 4.460 -0.000 0.000 0.314 1090 C C 0.545 175.553 174.990 0.030 0.000 1.231 1090 C CA -1.028 57.994 59.018 0.006 0.000 1.652 1090 C CB 1.059 28.799 27.740 0.000 0.000 2.198 1090 C HN 1.226 nan 8.230 nan 0.000 0.483 1091 A N 0.790 123.635 122.820 0.041 0.000 2.325 1091 A HA 0.857 5.177 4.320 -0.000 0.000 0.333 1091 A C -1.290 176.383 177.584 0.147 0.000 1.155 1091 A CA -0.195 51.883 52.037 0.068 0.000 0.814 1091 A CB 0.700 19.713 19.000 0.023 0.000 1.206 1091 A HN 0.862 nan 8.150 nan 0.000 0.482 1092 F N 3.773 123.702 119.950 -0.035 0.000 2.610 1092 F HA 0.473 5.000 4.527 -0.000 0.000 0.355 1092 F C -0.967 174.825 175.800 -0.013 0.000 1.140 1092 F CA -1.124 56.852 58.000 -0.039 0.000 1.037 1092 F CB 1.044 40.008 39.000 -0.060 0.000 1.287 1092 F HN 0.359 nan 8.300 nan 0.000 0.457 1093 I N 4.299 124.638 120.570 -0.385 0.000 2.301 1093 I HA 0.185 4.355 4.170 -0.000 0.000 0.292 1093 I C -0.449 175.341 176.117 -0.545 0.000 1.046 1093 I CA -0.259 60.854 61.300 -0.311 0.000 1.282 1093 I CB 0.847 38.727 38.000 -0.199 0.000 1.409 1093 I HN 0.517 nan 8.210 nan 0.000 0.484 1094 D N 5.150 125.316 120.400 -0.391 0.000 2.453 1094 D HA 0.578 5.218 4.640 -0.000 0.000 0.238 1094 D C 0.357 176.527 176.300 -0.217 0.000 1.088 1094 D CA -0.412 53.375 54.000 -0.356 0.000 0.854 1094 D CB 1.655 42.408 40.800 -0.079 0.000 1.076 1094 D HN 0.576 nan 8.370 nan 0.000 0.533 1095 A N 3.724 126.410 122.820 -0.222 0.000 2.390 1095 A HA 0.119 4.439 4.320 -0.000 0.000 0.232 1095 A C 1.555 178.934 177.584 -0.342 0.000 1.233 1095 A CA -0.085 51.827 52.037 -0.208 0.000 0.907 1095 A CB 0.136 19.136 19.000 0.000 0.000 0.967 1095 A HN 0.545 nan 8.150 nan 0.000 0.512 1096 E N -0.200 119.849 120.200 -0.251 0.000 2.140 1096 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 1096 E C -0.492 176.108 176.600 -0.000 0.000 0.973 1096 E CA 0.598 56.944 56.400 -0.091 0.000 0.829 1096 E CB -0.246 29.468 29.700 0.024 0.000 0.781 1096 E HN 0.785 nan 8.360 nan 0.000 0.466 1097 H N -1.068 118.125 119.070 0.204 0.000 2.819 1097 H HA -0.185 4.371 4.556 -0.000 0.000 0.315 1097 H C 0.485 175.990 175.328 0.295 0.000 1.242 1097 H CA 0.065 56.245 56.048 0.219 0.000 1.157 1097 H CB -1.459 28.317 29.762 0.022 0.000 1.451 1097 H HN 0.275 nan 8.280 nan 0.000 0.430 1098 A N 0.611 123.724 122.820 0.490 0.000 2.579 1098 A HA 0.512 4.832 4.320 -0.000 0.000 0.220 1098 A C 0.877 178.709 177.584 0.413 0.000 2.352 1098 A CA 0.091 52.345 52.037 0.362 0.000 1.183 1098 A CB -0.030 19.104 19.000 0.223 0.000 1.311 1098 A HN 0.736 nan 8.150 nan 0.000 0.534 1099 L N 1.015 122.381 121.223 0.237 0.000 3.555 1099 L HA -0.175 4.165 4.340 -0.000 0.000 0.538 1099 L C -1.018 175.871 176.870 0.031 0.000 1.001 1099 L CA 0.716 55.548 54.840 -0.014 0.000 1.130 1099 L CB -1.087 40.683 42.059 -0.482 0.000 0.876 1099 L HN 0.564 nan 8.230 nan 0.000 0.674 1100 D N 8.070 128.498 120.400 0.047 0.000 2.365 1100 D HA 0.292 4.932 4.640 -0.000 0.000 0.237 1100 D C -1.347 174.981 176.300 0.048 0.000 1.190 1100 D CA -1.763 52.289 54.000 0.087 0.000 0.867 1100 D CB 1.116 41.970 40.800 0.090 0.000 1.050 1100 D HN 0.400 nan 8.370 nan 0.000 0.491 1101 P HA -0.197 nan 4.420 nan 0.000 0.214 1101 P C 1.829 179.139 177.300 0.016 0.000 1.163 1101 P CA 0.651 63.739 63.100 -0.020 0.000 0.889 1101 P CB 0.445 32.162 31.700 0.028 0.000 0.790 1102 I N -1.332 119.276 120.570 0.062 0.000 2.208 1102 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1102 I C 2.673 178.840 176.117 0.084 0.000 1.097 1102 I CA 1.680 63.020 61.300 0.067 0.000 1.363 1102 I CB -1.410 36.639 38.000 0.081 0.000 1.051 1102 I HN -0.045 nan 8.210 nan 0.000 0.413 1103 Y N 1.764 122.057 120.300 -0.011 0.000 2.242 1103 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 1103 Y C 2.597 178.475 175.900 -0.037 0.000 1.137 1103 Y CA 1.788 59.878 58.100 -0.017 0.000 1.181 1103 Y CB -0.068 38.381 38.460 -0.018 0.000 0.989 1103 Y HN 0.119 nan 8.280 nan 0.000 0.527 1104 A N 0.494 123.289 122.820 -0.042 0.000 1.933 1104 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 1104 A C 2.308 179.798 177.584 -0.157 0.000 1.175 1104 A CA 1.712 53.661 52.037 -0.148 0.000 0.628 1104 A CB -0.695 18.224 19.000 -0.136 0.000 0.814 1104 A HN 0.524 nan 8.150 nan 0.000 0.444 1105 R N -0.386 120.054 120.500 -0.100 0.000 2.092 1105 R HA -0.066 4.274 4.340 -0.000 0.000 0.231 1105 R C 2.059 178.304 176.300 -0.092 0.000 1.119 1105 R CA 1.474 57.526 56.100 -0.079 0.000 0.970 1105 R CB -0.164 30.112 30.300 -0.041 0.000 0.864 1105 R HN 0.464 nan 8.270 nan 0.000 0.440 1106 K N 0.274 120.608 120.400 -0.110 0.000 2.148 1106 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 1106 K C 2.030 178.523 176.600 -0.178 0.000 1.050 1106 K CA 0.798 57.014 56.287 -0.117 0.000 0.942 1106 K CB 0.002 32.445 32.500 -0.096 0.000 0.724 1106 K HN 0.231 nan 8.250 nan 0.000 0.446 1107 L N -0.686 120.367 121.223 -0.283 0.000 2.141 1107 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 1107 L C 1.371 178.144 176.870 -0.162 0.000 1.094 1107 L CA 1.397 56.062 54.840 -0.291 0.000 0.763 1107 L CB 0.032 41.850 42.059 -0.402 0.000 0.908 1107 L HN 0.536 nan 8.230 nan 0.000 0.437 1108 G N -1.456 107.265 108.800 -0.131 0.000 2.370 1108 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.174 1108 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.174 1108 G C -0.046 174.804 174.900 -0.083 0.000 1.002 1108 G CA -0.201 44.846 45.100 -0.088 0.000 0.730 1108 G HN 0.008 nan 8.290 nan 0.000 0.497 1109 V N 1.709 121.562 119.914 -0.102 0.000 2.530 1109 V HA 0.436 4.556 4.120 -0.000 0.000 0.282 1109 V C 0.150 176.194 176.094 -0.083 0.000 1.048 1109 V CA -0.477 61.764 62.300 -0.098 0.000 0.997 1109 V CB 1.729 33.474 31.823 -0.129 0.000 0.987 1109 V HN 0.259 nan 8.190 nan 0.000 0.477 1110 D N 4.364 124.723 120.400 -0.068 0.000 2.435 1110 D HA 0.160 4.800 4.640 -0.000 0.000 0.230 1110 D C 1.022 177.285 176.300 -0.063 0.000 1.215 1110 D CA -0.272 53.695 54.000 -0.055 0.000 0.947 1110 D CB 0.645 41.420 40.800 -0.040 0.000 1.048 1110 D HN 0.288 nan 8.370 nan 0.000 0.512 1111 I N 2.729 123.257 120.570 -0.070 0.000 2.208 1111 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 1111 I C 1.352 177.438 176.117 -0.052 0.000 1.097 1111 I CA 1.129 62.380 61.300 -0.082 0.000 1.363 1111 I CB -0.667 37.283 38.000 -0.083 0.000 1.051 1111 I HN 0.362 nan 8.210 nan 0.000 0.413 1112 D N 0.809 121.190 120.400 -0.031 0.000 2.190 1112 D HA -0.200 4.440 4.640 -0.000 0.000 0.200 1112 D C 1.540 177.834 176.300 -0.010 0.000 0.992 1112 D CA 1.089 55.081 54.000 -0.013 0.000 0.854 1112 D CB -0.199 40.597 40.800 -0.008 0.000 0.936 1112 D HN 0.301 nan 8.370 nan 0.000 0.462 1113 N N -0.215 118.474 118.700 -0.018 0.000 2.299 1113 N HA 0.050 4.790 4.740 -0.000 0.000 0.187 1113 N C 0.105 175.607 175.510 -0.013 0.000 1.099 1113 N CA -0.083 52.960 53.050 -0.012 0.000 0.867 1113 N CB 0.250 38.728 38.487 -0.014 0.000 0.974 1113 N HN 0.190 nan 8.380 nan 0.000 0.477 1114 L N 1.945 123.151 121.223 -0.028 0.000 2.410 1114 L HA 0.217 4.557 4.340 -0.000 0.000 0.273 1114 L C -0.427 176.446 176.870 0.004 0.000 1.152 1114 L CA -0.089 54.732 54.840 -0.032 0.000 0.855 1114 L CB 0.330 42.333 42.059 -0.093 0.000 1.129 1114 L HN 0.000 nan 8.230 nan 0.000 0.463 1115 L N 6.054 127.296 121.223 0.032 0.000 2.260 1115 L HA 0.272 4.612 4.340 -0.000 0.000 0.289 1115 L C 0.075 177.014 176.870 0.114 0.000 1.057 1115 L CA -0.260 54.617 54.840 0.063 0.000 0.811 1115 L CB 1.090 43.182 42.059 0.055 0.000 1.184 1115 L HN 0.631 nan 8.230 nan 0.000 0.429 1116 C N 3.070 122.450 119.300 0.134 0.000 2.417 1116 C HA 0.751 5.211 4.460 -0.000 0.000 0.324 1116 C C 0.216 175.324 174.990 0.196 0.000 1.240 1116 C CA -0.386 58.766 59.018 0.223 0.000 1.632 1116 C CB 1.334 29.212 27.740 0.231 0.000 2.241 1116 C HN 0.838 nan 8.230 nan 0.000 0.499 1117 S N 4.309 120.122 115.700 0.189 0.000 2.519 1117 S HA 0.539 5.009 4.470 -0.000 0.000 0.309 1117 S C -0.966 173.711 174.600 0.129 0.000 1.100 1117 S CA -0.280 57.990 58.200 0.117 0.000 1.059 1117 S CB 1.194 64.418 63.200 0.039 0.000 1.008 1117 S HN 0.903 nan 8.310 nan 0.000 0.478 1118 Q N 4.101 123.990 119.800 0.148 0.000 2.700 1118 Q HA 0.348 4.688 4.340 -0.000 0.000 0.249 1118 Q C -2.539 173.553 176.000 0.153 0.000 1.033 1118 Q CA -1.893 54.019 55.803 0.181 0.000 0.804 1118 Q CB 1.317 30.205 28.738 0.251 0.000 1.164 1118 Q HN 0.495 nan 8.270 nan 0.000 0.500 1119 P HA -0.034 nan 4.420 nan 0.000 0.275 1119 P C 0.192 177.557 177.300 0.108 0.000 1.228 1119 P CA -0.180 62.944 63.100 0.040 0.000 0.786 1119 P CB 0.905 32.578 31.700 -0.046 0.000 0.927 1120 D N -0.094 120.337 120.400 0.051 0.000 2.310 1120 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 1120 D C 0.120 176.296 176.300 -0.207 0.000 0.965 1120 D CA 1.209 55.243 54.000 0.056 0.000 0.879 1120 D CB 0.563 41.414 40.800 0.086 0.000 0.921 1120 D HN 0.399 nan 8.370 nan 0.000 0.510 1121 T N -3.479 110.899 114.554 -0.292 0.000 2.774 1121 T HA 0.338 4.688 4.350 -0.000 0.000 0.325 1121 T C 1.024 175.516 174.700 -0.347 0.000 1.753 1121 T CA 0.053 61.839 62.100 -0.523 0.000 1.024 1121 T CB 0.713 69.313 68.868 -0.448 0.000 1.628 1121 T HN -0.062 nan 8.240 nan 0.000 0.497 1122 G N 1.392 109.969 108.800 -0.372 0.000 2.721 1122 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 1122 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 1122 G C 0.983 175.789 174.900 -0.155 0.000 1.265 1122 G CA 1.987 46.955 45.100 -0.219 0.000 0.796 1122 G HN 0.846 nan 8.290 nan 0.000 0.620 1123 E N -0.165 119.950 120.200 -0.141 0.000 2.038 1123 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 1123 E C 2.532 179.056 176.600 -0.127 0.000 1.000 1123 E CA 1.493 57.833 56.400 -0.099 0.000 0.803 1123 E CB -0.316 29.343 29.700 -0.067 0.000 0.750 1123 E HN 0.661 nan 8.360 nan 0.000 0.448 1124 Q N 0.229 119.928 119.800 -0.167 0.000 2.133 1124 Q HA -0.300 4.040 4.340 -0.000 0.000 0.208 1124 Q C 2.051 177.864 176.000 -0.312 0.000 0.991 1124 Q CA 1.894 57.533 55.803 -0.273 0.000 0.867 1124 Q CB -0.239 28.346 28.738 -0.256 0.000 0.911 1124 Q HN 0.306 nan 8.270 nan 0.000 0.417 1125 A N 0.913 123.609 122.820 -0.207 0.000 1.851 1125 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 1125 A C 2.090 179.605 177.584 -0.115 0.000 1.195 1125 A CA 1.682 53.627 52.037 -0.152 0.000 0.622 1125 A CB -1.047 17.893 19.000 -0.101 0.000 0.831 1125 A HN 0.500 nan 8.150 nan 0.000 0.444 1126 L N -0.788 120.394 121.223 -0.068 0.000 2.129 1126 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 1126 L C 2.467 179.323 176.870 -0.023 0.000 1.087 1126 L CA 1.772 56.607 54.840 -0.007 0.000 0.757 1126 L CB -0.490 41.573 42.059 0.007 0.000 0.896 1126 L HN 0.525 nan 8.230 nan 0.000 0.434 1127 E N -0.363 119.789 120.200 -0.081 0.000 2.371 1127 E HA -0.073 4.277 4.350 -0.000 0.000 0.194 1127 E C 2.150 178.711 176.600 -0.066 0.000 1.012 1127 E CA 0.438 56.810 56.400 -0.046 0.000 0.860 1127 E CB 0.155 29.846 29.700 -0.015 0.000 0.811 1127 E HN 0.519 nan 8.360 nan 0.000 0.502 1128 I N 0.536 121.001 120.570 -0.175 0.000 2.617 1128 I HA -0.227 3.943 4.170 -0.000 0.000 0.256 1128 I C 1.968 178.067 176.117 -0.030 0.000 1.167 1128 I CA 0.306 61.530 61.300 -0.126 0.000 1.469 1128 I CB -0.082 37.803 38.000 -0.192 0.000 1.098 1128 I HN 0.262 nan 8.210 nan 0.000 0.436 1129 C N 0.034 119.314 119.300 -0.032 0.000 2.453 1129 C HA -0.129 4.331 4.460 -0.000 0.000 0.277 1129 C C 2.435 177.432 174.990 0.011 0.000 1.262 1129 C CA 0.043 59.050 59.018 -0.018 0.000 1.718 1129 C CB -0.990 26.733 27.740 -0.029 0.000 2.031 1129 C HN 0.479 nan 8.230 nan 0.000 0.480 1130 D N 1.239 121.657 120.400 0.031 0.000 2.191 1130 D HA -0.182 4.458 4.640 -0.000 0.000 0.190 1130 D C 2.197 178.529 176.300 0.055 0.000 1.007 1130 D CA 2.357 56.388 54.000 0.051 0.000 0.865 1130 D CB -0.314 40.528 40.800 0.070 0.000 0.929 1130 D HN 0.573 nan 8.370 nan 0.000 0.447 1131 A N -0.535 122.328 122.820 0.071 0.000 2.132 1131 A HA 0.103 4.423 4.320 -0.000 0.000 0.213 1131 A C 2.266 179.884 177.584 0.055 0.000 1.154 1131 A CA 0.074 52.158 52.037 0.079 0.000 0.753 1131 A CB -0.155 18.924 19.000 0.132 0.000 0.826 1131 A HN 0.208 nan 8.150 nan 0.000 0.469 1132 L N -1.016 120.230 121.223 0.039 0.000 2.492 1132 L HA 0.027 4.367 4.340 -0.000 0.000 0.223 1132 L C 2.737 179.615 176.870 0.013 0.000 1.132 1132 L CA 0.589 55.443 54.840 0.024 0.000 0.850 1132 L CB -0.168 41.899 42.059 0.013 0.000 0.966 1132 L HN 0.422 nan 8.230 nan 0.000 0.454 1133 A N 0.489 123.317 122.820 0.014 0.000 1.855 1133 A HA -0.064 4.256 4.320 -0.000 0.000 0.213 1133 A C 1.725 179.318 177.584 0.015 0.000 1.195 1133 A CA 0.574 52.617 52.037 0.009 0.000 0.610 1133 A CB -0.249 18.758 19.000 0.012 0.000 0.837 1133 A HN 0.302 nan 8.150 nan 0.000 0.444 1134 R N 0.391 120.905 120.500 0.024 0.000 4.739 1134 R HA 0.137 4.477 4.340 -0.000 0.000 0.203 1134 R C 0.849 177.163 176.300 0.023 0.000 2.125 1134 R CA 0.549 56.663 56.100 0.023 0.000 1.743 1134 R CB -0.285 30.032 30.300 0.029 0.000 1.271 1134 R HN 0.482 nan 8.270 nan 0.000 0.746 1135 S N -1.302 114.409 115.700 0.018 0.000 2.931 1135 S HA 0.208 4.678 4.470 -0.000 0.000 0.251 1135 S C 1.485 176.091 174.600 0.011 0.000 1.078 1135 S CA 0.714 58.924 58.200 0.017 0.000 0.835 1135 S CB 0.508 63.719 63.200 0.019 0.000 0.798 1135 S HN 0.549 nan 8.310 nan 0.000 0.495 1136 G N 1.145 109.950 108.800 0.007 0.000 2.336 1136 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.233 1136 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.233 1136 G C 0.807 175.707 174.900 0.001 0.000 1.053 1136 G CA 0.218 45.320 45.100 0.003 0.000 0.625 1136 G HN 1.436 nan 8.290 nan 0.000 0.511 1137 A N 0.088 122.910 122.820 0.003 0.000 2.507 1137 A HA 0.704 5.024 4.320 -0.000 0.000 0.270 1137 A C 0.484 178.070 177.584 0.003 0.000 1.318 1137 A CA 0.728 52.767 52.037 0.002 0.000 0.924 1137 A CB 0.359 19.361 19.000 0.004 0.000 1.061 1137 A HN 0.999 nan 8.150 nan 0.000 0.516 1138 V N 0.928 120.844 119.914 0.002 0.000 2.328 1138 V HA 0.174 4.294 4.120 -0.000 0.000 0.278 1138 V C -0.010 176.079 176.094 -0.007 0.000 1.021 1138 V CA -0.227 62.074 62.300 0.000 0.000 0.838 1138 V CB 1.010 32.835 31.823 0.004 0.000 0.999 1138 V HN 0.568 nan 8.190 nan 0.000 0.447 1139 D N 2.970 123.364 120.400 -0.010 0.000 2.197 1139 D HA 0.062 4.702 4.640 -0.000 0.000 0.212 1139 D C 0.510 176.796 176.300 -0.024 0.000 0.963 1139 D CA 0.812 54.803 54.000 -0.016 0.000 0.864 1139 D CB 0.391 41.181 40.800 -0.016 0.000 1.009 1139 D HN 0.523 nan 8.370 nan 0.000 0.479 1140 V N -0.839 119.061 119.914 -0.024 0.000 2.638 1140 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 1140 V C -0.829 175.246 176.094 -0.031 0.000 1.052 1140 V CA -0.981 61.298 62.300 -0.034 0.000 0.885 1140 V CB 2.221 34.024 31.823 -0.033 0.000 0.999 1140 V HN -0.044 nan 8.190 nan 0.000 0.424 1141 I N 4.431 124.964 120.570 -0.062 0.000 2.377 1141 I HA 0.544 4.714 4.170 -0.000 0.000 0.293 1141 I C -0.750 175.304 176.117 -0.105 0.000 0.987 1141 I CA -0.825 60.427 61.300 -0.079 0.000 1.185 1141 I CB 2.102 40.030 38.000 -0.120 0.000 1.341 1141 I HN 0.487 nan 8.210 nan 0.000 0.455 1142 V N 7.561 127.438 119.914 -0.062 0.000 2.444 1142 V HA 0.334 4.454 4.120 -0.000 0.000 0.294 1142 V C -0.237 175.747 176.094 -0.184 0.000 1.022 1142 V CA -0.579 61.683 62.300 -0.065 0.000 0.850 1142 V CB 2.155 34.042 31.823 0.106 0.000 0.992 1142 V HN 0.379 nan 8.190 nan 0.000 0.426 1143 V N 3.718 123.520 119.914 -0.188 0.000 2.384 1143 V HA 0.525 4.645 4.120 -0.000 0.000 0.287 1143 V C -0.532 175.510 176.094 -0.086 0.000 1.020 1143 V CA -0.483 61.725 62.300 -0.154 0.000 0.850 1143 V CB 1.745 33.559 31.823 -0.015 0.000 0.987 1143 V HN 0.800 nan 8.190 nan 0.000 0.436 1144 D N 3.575 123.849 120.400 -0.210 0.000 2.408 1144 D HA 0.578 5.218 4.640 -0.000 0.000 0.261 1144 D C -0.535 175.704 176.300 -0.103 0.000 1.190 1144 D CA 0.217 54.128 54.000 -0.149 0.000 0.910 1144 D CB 1.483 42.130 40.800 -0.256 0.000 1.097 1144 D HN 0.788 nan 8.370 nan 0.000 0.522 1145 S N 0.083 115.766 115.700 -0.029 0.000 2.565 1145 S HA 0.258 4.728 4.470 -0.000 0.000 0.274 1145 S C 1.021 175.630 174.600 0.015 0.000 1.144 1145 S CA -0.555 57.658 58.200 0.022 0.000 0.849 1145 S CB 1.121 64.339 63.200 0.030 0.000 1.103 1145 S HN -0.048 nan 8.310 nan 0.000 0.455 1146 V N 1.725 121.646 119.914 0.011 0.000 2.308 1146 V HA -0.431 3.689 4.120 -0.000 0.000 0.251 1146 V C 3.058 179.119 176.094 -0.054 0.000 1.055 1146 V CA 3.370 65.625 62.300 -0.076 0.000 1.105 1146 V CB -1.875 29.882 31.823 -0.109 0.000 0.785 1146 V HN 1.336 nan 8.190 nan 0.000 0.479 1147 A N -0.525 122.275 122.820 -0.034 0.000 1.978 1147 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 1147 A C 2.191 179.773 177.584 -0.002 0.000 1.170 1147 A CA 2.539 54.561 52.037 -0.024 0.000 0.636 1147 A CB -0.731 18.258 19.000 -0.019 0.000 0.810 1147 A HN 0.981 nan 8.150 nan 0.000 0.448 1148 A N -1.229 121.597 122.820 0.010 0.000 2.208 1148 A HA 0.330 4.650 4.320 -0.000 0.000 0.209 1148 A C 0.848 178.485 177.584 0.089 0.000 1.161 1148 A CA 0.224 52.288 52.037 0.046 0.000 0.782 1148 A CB -0.140 18.871 19.000 0.017 0.000 0.816 1148 A HN 0.288 nan 8.150 nan 0.000 0.477 1149 L N 2.730 123.967 121.223 0.023 0.000 2.650 1149 L HA 0.092 4.431 4.340 -0.000 0.000 0.239 1149 L C 0.395 177.233 176.870 -0.053 0.000 1.412 1149 L CA 0.583 55.412 54.840 -0.017 0.000 1.219 1149 L CB -1.843 40.190 42.059 -0.044 0.000 1.534 1149 L HN 0.339 nan 8.230 nan 0.000 0.430 1150 T N -0.293 114.255 114.554 -0.010 0.000 2.769 1150 T HA 0.325 4.675 4.350 -0.000 0.000 0.293 1150 T C -2.163 172.427 174.700 -0.184 0.000 0.931 1150 T CA -1.513 60.565 62.100 -0.037 0.000 1.139 1150 T CB 0.543 69.476 68.868 0.108 0.000 0.881 1150 T HN 0.125 nan 8.240 nan 0.000 0.532 1151 P HA 0.200 nan 4.420 nan 0.000 0.272 1151 P C 0.937 178.135 177.300 -0.170 0.000 1.248 1151 P CA -0.619 62.389 63.100 -0.153 0.000 0.799 1151 P CB 0.700 32.343 31.700 -0.095 0.000 0.997 1152 K N 0.774 121.090 120.400 -0.140 0.000 1.991 1152 K HA -0.165 4.155 4.320 -0.000 0.000 0.212 1152 K C 2.115 178.668 176.600 -0.079 0.000 1.049 1152 K CA 2.219 58.435 56.287 -0.118 0.000 0.932 1152 K CB -1.158 31.302 32.500 -0.068 0.000 0.717 1152 K HN 0.421 nan 8.250 nan 0.000 0.441 1153 A N 1.216 124.005 122.820 -0.053 0.000 1.958 1153 A HA -0.305 4.015 4.320 -0.000 0.000 0.221 1153 A C 1.957 179.524 177.584 -0.028 0.000 1.178 1153 A CA 2.079 54.097 52.037 -0.031 0.000 0.642 1153 A CB -0.549 18.436 19.000 -0.025 0.000 0.816 1153 A HN 0.401 nan 8.150 nan 0.000 0.453 1154 E N -0.496 119.680 120.200 -0.041 0.000 2.046 1154 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 1154 E C 0.690 177.275 176.600 -0.024 0.000 0.982 1154 E CA 0.268 56.652 56.400 -0.027 0.000 0.800 1154 E CB -0.199 29.488 29.700 -0.023 0.000 0.756 1154 E HN 0.677 nan 8.360 nan 0.000 0.449 1166 L N 0.463 121.667 121.223 -0.032 0.000 2.641 1166 L HA 0.352 4.692 4.340 -0.000 0.000 0.207 1166 L C 2.376 179.228 176.870 -0.030 0.000 1.049 1166 L CA 0.727 55.549 54.840 -0.031 0.000 0.866 1166 L CB 0.271 42.312 42.059 -0.030 0.000 1.264 1166 L HN 0.389 nan 8.230 nan 0.000 0.483 1167 A N 0.599 123.399 122.820 -0.033 0.000 2.081 1167 A HA 0.167 4.487 4.320 -0.000 0.000 0.213 1167 A C 1.809 179.364 177.584 -0.048 0.000 1.374 1167 A CA 0.838 52.852 52.037 -0.038 0.000 1.203 1167 A CB -0.796 18.179 19.000 -0.042 0.000 0.786 1167 A HN 0.370 nan 8.150 nan 0.000 0.535 1168 A N -0.215 122.577 122.820 -0.046 0.000 2.168 1168 A HA -0.030 4.290 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 0.894 52.898 52.037 -0.056 0.000 0.716 1168 A CB -0.281 18.689 19.000 -0.049 0.000 0.794 1168 A HN 0.607 nan 8.150 nan 0.000 0.465 1169 R N -0.909 119.567 120.500 -0.040 0.000 2.148 1169 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 1169 R C 2.184 178.456 176.300 -0.046 0.000 1.088 1169 R CA 1.207 57.286 56.100 -0.036 0.000 0.985 1169 R CB -0.343 29.948 30.300 -0.016 0.000 0.880 1169 R HN 0.676 nan 8.270 nan 0.000 0.451 1170 M N -0.022 119.548 119.600 -0.050 0.000 2.202 1170 M HA -0.230 4.250 4.480 -0.000 0.000 0.262 1170 M C 1.643 177.903 176.300 -0.066 0.000 1.063 1170 M CA 1.620 56.887 55.300 -0.055 0.000 1.097 1170 M CB 0.018 32.581 32.600 -0.062 0.000 1.382 1170 M HN 0.187 nan 8.290 nan 0.000 0.413 1171 M N 0.096 119.644 119.600 -0.086 0.000 2.062 1171 M HA -0.134 4.346 4.480 -0.000 0.000 0.259 1171 M C 2.228 178.466 176.300 -0.103 0.000 1.076 1171 M CA 1.793 57.025 55.300 -0.114 0.000 1.122 1171 M CB -1.129 31.379 32.600 -0.154 0.000 1.312 1171 M HN 0.316 nan 8.290 nan 0.000 0.412 1172 S N 0.438 116.077 115.700 -0.101 0.000 2.407 1172 S HA -0.244 4.226 4.470 -0.000 0.000 0.235 1172 S C 1.572 176.106 174.600 -0.110 0.000 1.036 1172 S CA 1.529 59.656 58.200 -0.121 0.000 1.013 1172 S CB -0.449 62.697 63.200 -0.090 0.000 0.820 1172 S HN 0.413 nan 8.310 nan 0.000 0.476 1173 Q N 1.597 121.355 119.800 -0.069 0.000 1.579 1173 Q HA 0.060 4.400 4.340 -0.000 0.000 0.490 1173 Q C 1.943 177.925 176.000 -0.029 0.000 0.970 1173 Q CA 1.539 57.316 55.803 -0.043 0.000 0.898 1173 Q CB -0.597 28.124 28.738 -0.029 0.000 0.936 1173 Q HN 0.440 nan 8.270 nan 0.000 0.385 1174 A N -0.221 122.593 122.820 -0.009 0.000 2.263 1174 A HA -0.054 4.266 4.320 -0.000 0.000 0.205 1174 A C 1.567 179.176 177.584 0.042 0.000 1.226 1174 A CA 0.836 52.886 52.037 0.021 0.000 0.810 1174 A CB -0.712 18.305 19.000 0.027 0.000 0.784 1174 A HN 0.608 nan 8.150 nan 0.000 0.486 1175 M N -0.311 119.294 119.600 0.008 0.000 2.073 1175 M HA -0.007 4.473 4.480 -0.000 0.000 0.259 1175 M C 2.052 178.418 176.300 0.109 0.000 1.079 1175 M CA 1.517 56.835 55.300 0.030 0.000 1.131 1175 M CB -0.476 32.052 32.600 -0.120 0.000 1.316 1175 M HN 0.363 nan 8.290 nan 0.000 0.415 1176 R N 0.616 121.130 120.500 0.023 0.000 2.189 1176 R HA -0.266 4.074 4.340 -0.000 0.000 0.252 1176 R C 2.098 178.545 176.300 0.245 0.000 1.134 1176 R CA 2.564 58.800 56.100 0.226 0.000 0.954 1176 R CB -0.748 29.610 30.300 0.098 0.000 0.890 1176 R HN 0.497 nan 8.270 nan 0.000 0.443 1177 K N 0.005 120.488 120.400 0.138 0.000 2.103 1177 K HA -0.018 4.301 4.320 -0.000 0.000 0.204 1177 K C 2.220 178.884 176.600 0.108 0.000 1.052 1177 K CA 0.781 57.132 56.287 0.106 0.000 0.945 1177 K CB -0.138 32.407 32.500 0.075 0.000 0.722 1177 K HN 0.153 nan 8.250 nan 0.000 0.443 1178 L N 0.672 121.970 121.223 0.125 0.000 2.127 1178 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 1178 L C 2.434 179.367 176.870 0.104 0.000 1.089 1178 L CA 0.883 55.789 54.840 0.110 0.000 0.757 1178 L CB -0.524 41.614 42.059 0.131 0.000 0.899 1178 L HN 0.252 nan 8.230 nan 0.000 0.434 1179 A N 0.249 123.157 122.820 0.147 0.000 1.869 1179 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 1179 A C 2.320 179.925 177.584 0.036 0.000 1.203 1179 A CA 2.250 54.337 52.037 0.084 0.000 0.638 1179 A CB -1.423 17.605 19.000 0.046 0.000 0.831 1179 A HN 0.470 nan 8.150 nan 0.000 0.450 1180 G N -0.603 108.223 108.800 0.043 0.000 2.464 1180 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.214 1180 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.214 1180 G C 1.328 176.242 174.900 0.023 0.000 1.218 1180 G CA 1.029 46.144 45.100 0.026 0.000 0.794 1180 G HN 0.671 nan 8.290 nan 0.000 0.542 1181 N N 0.182 118.901 118.700 0.033 0.000 2.242 1181 N HA -0.118 4.622 4.740 -0.000 0.000 0.191 1181 N C 2.040 177.560 175.510 0.016 0.000 1.005 1181 N CA 0.982 54.048 53.050 0.027 0.000 0.877 1181 N CB -0.157 38.351 38.487 0.035 0.000 0.983 1181 N HN 0.325 nan 8.380 nan 0.000 0.439 1182 L N -0.254 120.977 121.223 0.013 0.000 2.253 1182 L HA 0.048 4.387 4.340 -0.000 0.000 0.205 1182 L C 2.253 179.120 176.870 -0.005 0.000 1.078 1182 L CA 0.583 55.423 54.840 -0.000 0.000 0.805 1182 L CB -0.120 41.936 42.059 -0.005 0.000 0.963 1182 L HN 0.019 nan 8.230 nan 0.000 0.459 1183 K N 0.545 120.943 120.400 -0.003 0.000 2.097 1183 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 1183 K C 1.361 177.958 176.600 -0.005 0.000 1.050 1183 K CA 1.210 57.492 56.287 -0.007 0.000 0.938 1183 K CB 0.167 32.661 32.500 -0.009 0.000 0.718 1183 K HN 0.202 nan 8.250 nan 0.000 0.442 1184 Q N -0.483 119.316 119.800 -0.001 0.000 2.244 1184 Q HA 0.154 4.494 4.340 -0.000 0.000 0.239 1184 Q C -0.015 175.985 176.000 0.001 0.000 0.890 1184 Q CA -0.109 55.694 55.803 0.000 0.000 0.964 1184 Q CB 0.977 29.717 28.738 0.003 0.000 1.076 1184 Q HN 0.136 nan 8.270 nan 0.000 0.447 1185 S N -0.849 114.850 115.700 -0.002 0.000 2.692 1185 S HA 0.064 4.534 4.470 -0.000 0.000 0.269 1185 S C 0.089 174.685 174.600 -0.007 0.000 1.080 1185 S CA -0.450 57.748 58.200 -0.002 0.000 1.058 1185 S CB 0.461 63.660 63.200 -0.001 0.000 0.982 1185 S HN 0.377 nan 8.310 nan 0.000 0.534 1186 N N 2.288 120.982 118.700 -0.010 0.000 2.725 1186 N HA -0.117 4.623 4.740 -0.000 0.000 0.251 1186 N C -1.227 174.272 175.510 -0.018 0.000 1.031 1186 N CA 0.833 53.875 53.050 -0.014 0.000 0.720 1186 N CB -1.386 37.093 38.487 -0.013 0.000 0.930 1186 N HN 0.338 nan 8.380 nan 0.000 0.543 1187 T N 0.975 115.518 114.554 -0.019 0.000 2.733 1187 T HA 0.410 4.760 4.350 -0.000 0.000 0.294 1187 T C 0.283 174.961 174.700 -0.038 0.000 0.956 1187 T CA -0.590 61.494 62.100 -0.026 0.000 0.987 1187 T CB 1.083 69.938 68.868 -0.022 0.000 0.920 1187 T HN 0.254 nan 8.240 nan 0.000 0.470 1188 L N 5.858 127.054 121.223 -0.045 0.000 2.281 1188 L HA 0.671 5.011 4.340 -0.000 0.000 0.285 1188 L C -0.809 176.009 176.870 -0.086 0.000 1.074 1188 L CA -0.357 54.448 54.840 -0.058 0.000 0.817 1188 L CB 0.381 42.410 42.059 -0.051 0.000 1.168 1188 L HN 0.630 nan 8.230 nan 0.000 0.434 1189 L N 6.039 127.191 121.223 -0.119 0.000 2.346 1189 L HA 0.684 5.024 4.340 -0.000 0.000 0.274 1189 L C -1.236 175.485 176.870 -0.248 0.000 1.007 1189 L CA -0.446 54.268 54.840 -0.209 0.000 0.818 1189 L CB 1.572 43.469 42.059 -0.270 0.000 1.284 1189 L HN 0.696 nan 8.230 nan 0.000 0.424 1190 I N 4.113 124.505 120.570 -0.297 0.000 2.447 1190 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 1190 I C -1.186 174.775 176.117 -0.261 0.000 1.023 1190 I CA -0.294 60.882 61.300 -0.206 0.000 1.083 1190 I CB 1.754 39.699 38.000 -0.091 0.000 1.245 1190 I HN 0.433 nan 8.210 nan 0.000 0.434 1191 F N 6.521 126.461 119.950 -0.016 0.000 2.422 1191 F HA 0.580 5.107 4.527 -0.000 0.000 0.333 1191 F C 0.194 175.991 175.800 -0.005 0.000 1.095 1191 F CA -0.794 57.197 58.000 -0.016 0.000 1.038 1191 F CB 1.407 40.403 39.000 -0.007 0.000 1.156 1191 F HN 0.099 nan 8.300 nan 0.000 0.483 1192 I N 2.682 123.387 120.570 0.225 0.000 2.433 1192 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 1192 I C -0.443 175.738 176.117 0.106 0.000 1.001 1192 I CA -0.723 60.657 61.300 0.134 0.000 1.119 1192 I CB 1.807 39.863 38.000 0.093 0.000 1.289 1192 I HN 0.480 nan 8.210 nan 0.000 0.438 1193 N N 3.833 122.598 118.700 0.109 0.000 3.091 1193 N HA 0.564 5.304 4.740 -0.000 0.000 0.329 1193 N C -1.322 174.222 175.510 0.056 0.000 1.430 1193 N CA -0.480 52.609 53.050 0.065 0.000 0.755 1193 N CB 1.815 40.339 38.487 0.061 0.000 1.626 1193 N HN 0.631 nan 8.380 nan 0.000 0.614 1212 G N -0.448 108.294 108.800 -0.096 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 0.431 175.303 174.900 -0.047 0.000 1.168 1212 G CA 0.081 45.137 45.100 -0.074 0.000 0.936 1212 G HN 0.426 nan 8.290 nan 0.000 0.479 1213 N N 1.042 119.738 118.700 -0.006 0.000 2.192 1213 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 1213 N C 2.415 177.998 175.510 0.121 0.000 1.013 1213 N CA 1.640 54.726 53.050 0.060 0.000 0.863 1213 N CB -0.085 38.458 38.487 0.092 0.000 0.990 1213 N HN 0.569 nan 8.380 nan 0.000 0.430 1214 A N 0.981 123.834 122.820 0.055 0.000 1.835 1214 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 1214 A C 2.174 179.824 177.584 0.110 0.000 1.199 1214 A CA 1.438 53.506 52.037 0.052 0.000 0.615 1214 A CB -1.200 17.733 19.000 -0.112 0.000 0.838 1214 A HN 0.323 nan 8.150 nan 0.000 0.444 1215 L N 0.406 121.634 121.223 0.009 0.000 2.123 1215 L HA -0.271 4.069 4.340 -0.000 0.000 0.217 1215 L C 2.228 179.132 176.870 0.058 0.000 1.081 1215 L CA 2.738 57.599 54.840 0.036 0.000 0.772 1215 L CB -0.766 41.235 42.059 -0.096 0.000 0.890 1215 L HN 0.550 nan 8.230 nan 0.000 0.437 1216 K N -2.043 118.338 120.400 -0.033 0.000 2.366 1216 K HA -0.232 4.088 4.320 -0.000 0.000 0.202 1216 K C 1.358 177.706 176.600 -0.420 0.000 1.045 1216 K CA 1.967 58.102 56.287 -0.254 0.000 0.934 1216 K CB -0.118 32.131 32.500 -0.418 0.000 0.746 1216 K HN 0.459 nan 8.250 nan 0.000 0.470 1217 F N -2.814 117.247 119.950 0.184 0.000 2.581 1217 F HA 0.120 4.647 4.527 -0.000 0.000 0.278 1217 F C 1.366 177.321 175.800 0.258 0.000 1.000 1217 F CA -0.354 57.782 58.000 0.227 0.000 1.230 1217 F CB -0.103 39.044 39.000 0.245 0.000 1.008 1217 F HN -0.119 nan 8.300 nan 0.000 0.695 1218 Y N 1.172 121.614 120.300 0.236 0.000 2.616 1218 Y HA 0.218 4.768 4.550 -0.000 0.000 0.296 1218 Y C 1.413 177.379 175.900 0.110 0.000 1.154 1218 Y CA -0.192 58.000 58.100 0.154 0.000 1.325 1218 Y CB -0.224 38.319 38.460 0.139 0.000 1.007 1218 Y HN -0.052 nan 8.280 nan 0.000 0.542 1219 A N -0.128 122.815 122.820 0.205 0.000 2.450 1219 A HA 0.141 4.460 4.320 -0.000 0.000 0.255 1219 A C 1.144 178.747 177.584 0.032 0.000 1.096 1219 A CA 0.137 52.233 52.037 0.099 0.000 0.778 1219 A CB 0.319 19.345 19.000 0.043 0.000 1.031 1219 A HN 0.343 nan 8.150 nan 0.000 0.494 1220 S N 1.047 116.751 115.700 0.007 0.000 2.425 1220 S HA 0.114 4.584 4.470 -0.000 0.000 0.225 1220 S C 0.614 175.181 174.600 -0.055 0.000 1.024 1220 S CA 0.801 58.988 58.200 -0.022 0.000 0.951 1220 S CB 0.013 63.199 63.200 -0.024 0.000 0.796 1220 S HN 0.669 nan 8.310 nan 0.000 0.498 1221 V N 1.357 121.229 119.914 -0.070 0.000 2.971 1221 V HA 0.542 4.662 4.120 -0.000 0.000 0.309 1221 V C -1.508 174.502 176.094 -0.139 0.000 1.130 1221 V CA -0.883 61.349 62.300 -0.113 0.000 0.964 1221 V CB 2.207 33.971 31.823 -0.100 0.000 1.029 1221 V HN 0.134 nan 8.190 nan 0.000 0.427 1222 R N 4.264 124.637 120.500 -0.211 0.000 2.574 1222 R HA 0.608 4.948 4.340 -0.000 0.000 0.288 1222 R C -2.026 174.076 176.300 -0.330 0.000 1.004 1222 R CA -0.813 55.127 56.100 -0.267 0.000 0.895 1222 R CB 2.091 32.197 30.300 -0.322 0.000 1.191 1222 R HN 0.413 nan 8.270 nan 0.000 0.444 1223 L N 2.201 123.195 121.223 -0.381 0.000 2.322 1223 L HA 0.312 4.652 4.340 -0.000 0.000 0.281 1223 L C -0.333 176.122 176.870 -0.692 0.000 1.014 1223 L CA -0.369 54.240 54.840 -0.385 0.000 0.815 1223 L CB 1.534 43.469 42.059 -0.208 0.000 1.247 1223 L HN 0.439 nan 8.230 nan 0.000 0.421 1224 D N 4.180 124.279 120.400 -0.501 0.000 2.477 1224 D HA 0.224 4.864 4.640 -0.000 0.000 0.239 1224 D C -0.522 175.751 176.300 -0.044 0.000 1.102 1224 D CA -0.259 53.559 54.000 -0.304 0.000 0.901 1224 D CB 0.553 41.329 40.800 -0.040 0.000 1.026 1224 D HN 0.430 nan 8.370 nan 0.000 0.515 1225 I N 3.072 123.640 120.570 -0.003 0.000 2.428 1225 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 1225 I C 0.093 176.238 176.117 0.047 0.000 1.019 1225 I CA -0.353 60.961 61.300 0.023 0.000 1.351 1225 I CB 0.423 38.439 38.000 0.028 0.000 1.412 1225 I HN 0.211 nan 8.210 nan 0.000 0.513 1226 R N 5.684 126.191 120.500 0.011 0.000 3.150 1226 R HA 0.625 4.965 4.340 -0.000 0.000 0.236 1226 R C -1.057 175.224 176.300 -0.032 0.000 1.469 1226 R CA -1.147 54.957 56.100 0.007 0.000 1.045 1226 R CB 1.558 31.869 30.300 0.018 0.000 1.481 1226 R HN 0.544 nan 8.270 nan 0.000 0.506 1227 R N 0.900 121.384 120.500 -0.027 0.000 2.548 1227 R HA 0.278 4.618 4.340 -0.000 0.000 0.280 1227 R C -0.060 176.225 176.300 -0.026 0.000 1.061 1227 R CA -0.159 55.916 56.100 -0.041 0.000 0.915 1227 R CB 1.207 31.490 30.300 -0.029 0.000 1.210 1227 R HN 0.720 nan 8.270 nan 0.000 0.442 1228 I N 0.098 120.650 120.570 -0.031 0.000 4.607 1228 I HA 0.502 4.672 4.170 -0.000 0.000 0.324 1228 I C 0.815 176.928 176.117 -0.007 0.000 1.279 1228 I CA 0.267 61.558 61.300 -0.015 0.000 1.286 1228 I CB 1.192 39.184 38.000 -0.013 0.000 1.265 1228 I HN 0.609 nan 8.210 nan 0.000 0.446 1229 G N 1.120 109.915 108.800 -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 0.454 175.361 174.900 0.012 0.000 1.379 1229 G CA 0.387 45.487 45.100 0.001 0.000 0.766 1229 G HN 0.928 nan 8.290 nan 0.000 0.599 1230 A N -1.642 121.191 122.820 0.022 0.000 2.435 1230 A HA 0.241 4.561 4.320 -0.000 0.000 0.686 1230 A C -0.300 177.296 177.584 0.019 0.000 0.138 1230 A CA 0.106 52.167 52.037 0.040 0.000 0.024 1230 A CB -1.490 17.535 19.000 0.041 0.000 3.974 1230 A HN 1.637 nan 8.150 nan 0.000 0.548 1231 V N 0.661 120.586 119.914 0.017 0.000 3.074 1231 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 1231 V C 0.026 176.106 176.094 -0.022 0.000 1.117 1231 V CA -0.889 61.414 62.300 0.005 0.000 1.014 1231 V CB 2.094 33.931 31.823 0.024 0.000 1.057 1231 V HN 1.060 nan 8.190 nan 0.000 0.438 1232 K N 0.748 121.138 120.400 -0.017 0.000 2.316 1232 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 1232 K C -0.875 175.714 176.600 -0.019 0.000 0.934 1232 K CA -0.618 55.651 56.287 -0.030 0.000 0.802 1232 K CB 2.137 34.621 32.500 -0.027 0.000 1.171 1232 K HN 0.521 nan 8.250 nan 0.000 0.426 1233 E N 2.422 122.606 120.200 -0.026 0.000 2.206 1233 E HA 0.179 4.529 4.350 -0.000 0.000 0.244 1233 E C 0.630 177.220 176.600 -0.017 0.000 1.055 1233 E CA 0.116 56.507 56.400 -0.015 0.000 0.970 1233 E CB 0.670 30.361 29.700 -0.015 0.000 1.256 1233 E HN 0.887 nan 8.360 nan 0.000 0.456 1234 G N 3.402 112.194 108.800 -0.014 0.000 2.950 1234 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.299 1234 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.299 1234 G C 0.845 175.734 174.900 -0.019 0.000 1.310 1234 G CA 0.187 45.278 45.100 -0.014 0.000 0.994 1234 G HN 0.446 nan 8.290 nan 0.000 0.575 1235 E N 1.717 121.903 120.200 -0.022 0.000 2.447 1235 E HA 0.137 4.487 4.350 -0.000 0.000 0.204 1235 E C 1.058 177.635 176.600 -0.038 0.000 0.977 1235 E CA -0.027 56.358 56.400 -0.026 0.000 0.950 1235 E CB -0.007 29.680 29.700 -0.021 0.000 0.975 1235 E HN 0.583 nan 8.360 nan 0.000 0.496 1236 N N 0.254 118.927 118.700 -0.044 0.000 2.416 1236 N HA 0.023 4.763 4.740 -0.000 0.000 0.246 1236 N C -0.632 174.822 175.510 -0.094 0.000 1.260 1236 N CA 0.151 53.161 53.050 -0.067 0.000 0.897 1236 N CB 1.128 39.576 38.487 -0.065 0.000 1.110 1236 N HN -0.229 nan 8.380 nan 0.000 0.439 1237 V N 2.712 122.539 119.914 -0.145 0.000 2.294 1237 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 1237 V C 0.344 176.198 176.094 -0.400 0.000 1.027 1237 V CA -0.186 61.990 62.300 -0.206 0.000 0.823 1237 V CB 1.109 32.828 31.823 -0.173 0.000 1.030 1237 V HN 0.526 nan 8.190 nan 0.000 0.457 1238 V N 4.137 123.858 119.914 -0.321 0.000 3.477 1238 V HA 0.562 4.682 4.120 -0.000 0.000 0.297 1238 V C 0.901 176.879 176.094 -0.192 0.000 1.433 1238 V CA 0.926 63.001 62.300 -0.374 0.000 1.052 1238 V CB 0.512 32.250 31.823 -0.141 0.000 0.895 1238 V HN 0.783 nan 8.190 nan 0.000 0.438 1239 G N -0.823 107.926 108.800 -0.086 0.000 2.714 1239 G HA2 0.616 4.576 3.960 -0.000 0.000 0.292 1239 G HA3 0.616 4.576 3.960 -0.000 0.000 0.292 1239 G C -1.161 173.879 174.900 0.233 0.000 1.308 1239 G CA -0.455 44.730 45.100 0.141 0.000 0.964 1239 G HN 0.107 nan 8.290 nan 0.000 0.484 1240 S N -0.348 115.463 115.700 0.186 0.000 2.737 1240 S HA 0.264 4.734 4.470 -0.000 0.000 0.269 1240 S C -0.916 173.680 174.600 -0.007 0.000 1.150 1240 S CA -0.548 57.716 58.200 0.106 0.000 1.077 1240 S CB 1.586 64.849 63.200 0.104 0.000 1.075 1240 S HN 0.640 nan 8.310 nan 0.000 0.476 1241 E N 2.958 123.142 120.200 -0.027 0.000 2.166 1241 E HA 0.329 4.679 4.350 -0.000 0.000 0.279 1241 E C 0.319 176.829 176.600 -0.150 0.000 1.095 1241 E CA -0.030 56.319 56.400 -0.085 0.000 0.888 1241 E CB 0.393 30.069 29.700 -0.039 0.000 1.041 1241 E HN 0.593 nan 8.360 nan 0.000 0.414 1242 T N 2.012 116.377 114.554 -0.314 0.000 2.952 1242 T HA 0.555 4.905 4.350 -0.000 0.000 0.286 1242 T C -0.215 174.284 174.700 -0.336 0.000 1.024 1242 T CA -1.137 60.746 62.100 -0.361 0.000 1.029 1242 T CB 1.472 70.015 68.868 -0.541 0.000 1.094 1242 T HN 0.420 nan 8.240 nan 0.000 0.515 1243 R N 1.017 121.403 120.500 -0.191 0.000 2.518 1243 R HA 0.554 4.894 4.340 -0.000 0.000 0.296 1243 R C -2.124 174.169 176.300 -0.011 0.000 1.080 1243 R CA -0.598 55.460 56.100 -0.071 0.000 0.922 1243 R CB 1.604 31.889 30.300 -0.026 0.000 1.184 1243 R HN 0.573 nan 8.270 nan 0.000 0.445 1244 V N 5.270 125.220 119.914 0.060 0.000 2.370 1244 V HA 0.355 4.475 4.120 -0.000 0.000 0.279 1244 V C -0.105 176.013 176.094 0.039 0.000 1.029 1244 V CA -0.565 61.775 62.300 0.066 0.000 0.870 1244 V CB 1.608 33.517 31.823 0.144 0.000 0.984 1244 V HN 0.578 nan 8.190 nan 0.000 0.451 1245 K N 3.683 124.083 120.400 0.001 0.000 2.185 1245 K HA 0.518 4.838 4.320 -0.000 0.000 0.269 1245 K C -0.969 175.582 176.600 -0.082 0.000 0.987 1245 K CA -0.524 55.759 56.287 -0.008 0.000 0.865 1245 K CB 2.091 34.607 32.500 0.027 0.000 1.090 1245 K HN 0.406 nan 8.250 nan 0.000 0.450 1246 V N 5.032 124.896 119.914 -0.084 0.000 2.334 1246 V HA 0.050 4.170 4.120 -0.000 0.000 0.267 1246 V C 1.171 177.129 176.094 -0.226 0.000 1.040 1246 V CA -0.252 61.955 62.300 -0.155 0.000 0.866 1246 V CB 0.918 32.666 31.823 -0.123 0.000 1.019 1246 V HN 0.643 nan 8.190 nan 0.000 0.468 1247 V N 2.059 121.800 119.914 -0.287 0.000 3.085 1247 V HA 0.323 4.443 4.120 -0.000 0.000 0.245 1247 V C 0.867 176.638 176.094 -0.540 0.000 1.114 1247 V CA 0.288 62.369 62.300 -0.365 0.000 1.108 1247 V CB -0.177 31.568 31.823 -0.130 0.000 0.798 1247 V HN 0.607 nan 8.190 nan 0.000 0.471 1248 K N 2.203 122.305 120.400 -0.497 0.000 2.316 1248 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 1248 K C -1.114 175.296 176.600 -0.316 0.000 1.025 1248 K CA -0.311 55.656 56.287 -0.533 0.000 0.896 1248 K CB 0.611 32.668 32.500 -0.738 0.000 1.124 1248 K HN 0.356 nan 8.250 nan 0.000 0.451 1249 N N 3.674 122.228 118.700 -0.244 0.000 2.549 1249 N HA 0.170 4.910 4.740 -0.000 0.000 0.281 1249 N C -1.014 174.453 175.510 -0.072 0.000 1.084 1249 N CA -0.432 52.529 53.050 -0.149 0.000 0.862 1249 N CB 1.140 39.539 38.487 -0.148 0.000 1.333 1249 N HN 0.473 nan 8.380 nan 0.000 0.523 1250 K N 3.023 123.394 120.400 -0.049 0.000 2.570 1250 K HA 0.251 4.571 4.320 -0.000 0.000 0.210 1250 K C 0.384 176.975 176.600 -0.015 0.000 1.048 1250 K CA -0.041 56.238 56.287 -0.013 0.000 1.167 1250 K CB 0.585 33.086 32.500 0.001 0.000 0.892 1250 K HN 0.429 nan 8.250 nan 0.000 0.480 1251 I N -0.048 120.506 120.570 -0.027 0.000 3.194 1251 I HA 0.071 4.241 4.170 -0.000 0.000 0.271 1251 I C 0.889 176.999 176.117 -0.012 0.000 1.150 1251 I CA 0.441 61.728 61.300 -0.022 0.000 1.440 1251 I CB 0.509 38.489 38.000 -0.033 0.000 1.276 1251 I HN 0.098 nan 8.210 nan 0.000 0.457 1252 A N -0.420 122.391 122.820 -0.014 0.000 5.139 1252 A HA 0.812 5.132 4.320 -0.000 0.000 0.164 1252 A C -0.730 176.858 177.584 0.007 0.000 0.803 1252 A CA 0.057 52.093 52.037 -0.001 0.000 1.038 1252 A CB -0.664 18.333 19.000 -0.005 0.000 2.123 1252 A HN 0.013 nan 8.150 nan 0.000 0.998 1253 A N 1.582 124.411 122.820 0.015 0.000 2.505 1253 A HA 0.545 4.865 4.320 -0.000 0.000 0.271 1253 A C -2.477 175.118 177.584 0.018 0.000 1.112 1253 A CA -0.527 51.533 52.037 0.038 0.000 0.781 1253 A CB -1.011 18.014 19.000 0.042 0.000 1.059 1253 A HN 0.298 nan 8.150 nan 0.000 0.508 1254 P HA 0.532 nan 4.420 nan 0.000 0.278 1254 P C -0.002 177.310 177.300 0.020 0.000 1.258 1254 P CA -0.415 62.598 63.100 -0.145 0.000 0.811 1254 P CB 0.096 31.626 31.700 -0.284 0.000 1.063 1255 F N -3.120 116.843 119.950 0.023 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 0.741 58.755 58.000 0.023 0.000 1.266 1255 F CB -1.989 37.027 39.000 0.027 0.000 1.666 1255 F HN 0.238 nan 8.300 nan 0.000 0.314 1256 K N 1.631 122.098 120.400 0.112 0.000 2.202 1256 K HA 0.432 4.752 4.320 -0.000 0.000 0.264 1256 K C 0.471 177.102 176.600 0.052 0.000 1.010 1256 K CA -0.142 56.190 56.287 0.075 0.000 0.940 1256 K CB 0.963 33.487 32.500 0.041 0.000 0.983 1256 K HN 0.475 nan 8.250 nan 0.000 0.475 1257 Q N -0.227 119.605 119.800 0.055 0.000 2.528 1257 Q HA 0.756 5.096 4.340 -0.000 0.000 0.289 1257 Q C -1.740 174.296 176.000 0.060 0.000 1.091 1257 Q CA -1.299 54.537 55.803 0.054 0.000 0.797 1257 Q CB 2.106 30.883 28.738 0.064 0.000 1.466 1257 Q HN 0.496 nan 8.270 nan 0.000 0.436 1258 A N 1.331 124.202 122.820 0.085 0.000 2.497 1258 A HA 0.429 4.749 4.320 -0.000 0.000 0.280 1258 A C -1.379 176.334 177.584 0.215 0.000 1.065 1258 A CA -0.670 51.444 52.037 0.128 0.000 0.781 1258 A CB 1.224 20.289 19.000 0.107 0.000 1.289 1258 A HN 0.694 nan 8.150 nan 0.000 0.415 1259 E N 1.265 121.571 120.200 0.177 0.000 2.266 1259 E HA 0.730 5.080 4.350 -0.000 0.000 0.277 1259 E C -0.625 176.144 176.600 0.281 0.000 1.018 1259 E CA -0.258 56.228 56.400 0.144 0.000 0.840 1259 E CB 1.521 31.260 29.700 0.066 0.000 1.082 1259 E HN 0.709 nan 8.360 nan 0.000 0.395 1260 F N -1.308 118.648 119.950 0.009 0.000 3.122 1260 F HA 0.356 4.883 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 -1.228 56.778 58.000 0.009 0.000 0.876 1260 F CB 1.068 40.061 39.000 -0.012 0.000 1.429 1260 F HN 0.165 nan 8.300 nan 0.000 0.484 1261 Q N 1.320 121.231 119.800 0.185 0.000 2.309 1261 Q HA 0.706 5.046 4.340 -0.000 0.000 0.264 1261 Q C -1.339 174.753 176.000 0.153 0.000 1.008 1261 Q CA -0.928 54.917 55.803 0.069 0.000 0.853 1261 Q CB 3.099 31.907 28.738 0.116 0.000 1.314 1261 Q HN 0.568 nan 8.270 nan 0.000 0.448 1262 I N 2.813 123.421 120.570 0.063 0.000 2.389 1262 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 1262 I C -1.032 175.187 176.117 0.171 0.000 0.999 1262 I CA -0.835 60.544 61.300 0.130 0.000 1.129 1262 I CB 1.215 39.257 38.000 0.071 0.000 1.288 1262 I HN 0.287 nan 8.210 nan 0.000 0.444 1263 L N 6.959 128.303 121.223 0.202 0.000 2.272 1263 L HA 0.372 4.712 4.340 -0.000 0.000 0.289 1263 L C -0.460 176.602 176.870 0.320 0.000 1.032 1263 L CA -0.203 54.791 54.840 0.258 0.000 0.810 1263 L CB 0.590 42.764 42.059 0.192 0.000 1.205 1263 L HN 0.316 nan 8.230 nan 0.000 0.422 1264 Y N 3.296 123.661 120.300 0.109 0.000 2.944 1264 Y HA 0.067 4.617 4.550 -0.000 0.000 0.340 1264 Y C 1.650 177.652 175.900 0.171 0.000 1.275 1264 Y CA 0.964 59.136 58.100 0.120 0.000 1.590 1264 Y CB 0.282 38.777 38.460 0.058 0.000 1.218 1264 Y HN 0.884 nan 8.280 nan 0.000 0.576 1265 G N 2.683 111.733 108.800 0.415 0.000 2.203 1265 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.263 1265 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.263 1265 G C 0.489 175.504 174.900 0.193 0.000 1.012 1265 G CA 0.841 46.146 45.100 0.341 0.000 0.749 1265 G HN 0.779 nan 8.290 nan 0.000 0.512 1266 E N -2.265 118.037 120.200 0.170 0.000 2.583 1266 E HA 0.436 4.786 4.350 -0.000 0.000 0.204 1266 E C 1.377 177.985 176.600 0.013 0.000 0.860 1266 E CA 0.938 57.383 56.400 0.074 0.000 1.473 1266 E CB 0.585 30.348 29.700 0.105 0.000 1.469 1266 E HN 1.536 nan 8.360 nan 0.000 0.788 1267 G N 0.970 109.808 108.800 0.063 0.000 2.341 1267 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.196 1267 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.196 1267 G C -0.783 174.179 174.900 0.103 0.000 1.231 1267 G CA -0.379 44.736 45.100 0.025 0.000 1.155 1267 G HN 0.095 nan 8.290 nan 0.000 0.529 1268 I N 1.346 121.963 120.570 0.078 0.000 2.581 1268 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 1268 I C 0.241 176.416 176.117 0.097 0.000 1.047 1268 I CA -0.582 60.793 61.300 0.125 0.000 1.374 1268 I CB 1.268 39.285 38.000 0.027 0.000 1.423 1268 I HN 0.391 nan 8.210 nan 0.000 0.549 1269 N N 5.042 123.833 118.700 0.152 0.000 2.895 1269 N HA 0.015 4.755 4.740 -0.000 0.000 0.277 1269 N C 0.678 176.243 175.510 0.092 0.000 1.185 1269 N CA 0.079 53.214 53.050 0.142 0.000 1.106 1269 N CB -0.189 38.404 38.487 0.177 0.000 1.422 1269 N HN 0.449 nan 8.380 nan 0.000 0.521 1270 F N 2.314 122.161 119.950 -0.172 0.000 2.043 1270 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 1270 F C 1.086 176.713 175.800 -0.288 0.000 1.118 1270 F CA 1.909 59.699 58.000 -0.349 0.000 1.202 1270 F CB -0.377 38.219 39.000 -0.673 0.000 0.965 1270 F HN 0.464 nan 8.300 nan 0.000 0.482 1271 Y N -0.080 120.398 120.300 0.296 0.000 2.314 1271 Y HA 0.051 4.601 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 0.654 58.845 58.100 0.152 0.000 1.201 1271 Y CB -1.443 37.045 38.460 0.047 0.000 0.999 1271 Y HN 0.105 nan 8.280 nan 0.000 0.541 1272 G N 1.028 109.966 108.800 0.230 0.000 2.679 1272 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 1272 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 1272 G C 1.472 176.439 174.900 0.112 0.000 1.267 1272 G CA 1.506 46.697 45.100 0.151 0.000 0.799 1272 G HN 0.578 nan 8.290 nan 0.000 0.606 1273 E N 0.194 120.453 120.200 0.098 0.000 2.219 1273 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 1273 E C 2.374 179.005 176.600 0.052 0.000 0.998 1273 E CA 1.080 57.517 56.400 0.061 0.000 0.818 1273 E CB -0.343 29.358 29.700 0.001 0.000 0.741 1273 E HN 0.340 nan 8.360 nan 0.000 0.477 1274 L N 1.501 122.780 121.223 0.093 0.000 2.017 1274 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 1274 L C 2.350 179.266 176.870 0.077 0.000 1.073 1274 L CA 1.362 56.272 54.840 0.117 0.000 0.745 1274 L CB -0.615 41.582 42.059 0.231 0.000 0.894 1274 L HN 0.084 nan 8.230 nan 0.000 0.432 1275 V N 0.122 120.068 119.914 0.052 0.000 2.220 1275 V HA -0.384 3.736 4.120 -0.000 0.000 0.250 1275 V C 2.312 178.386 176.094 -0.033 0.000 1.056 1275 V CA 2.219 64.492 62.300 -0.046 0.000 1.016 1275 V CB -0.918 30.810 31.823 -0.158 0.000 0.639 1275 V HN 0.449 nan 8.190 nan 0.000 0.446 1276 D N -0.431 119.965 120.400 -0.006 0.000 2.239 1276 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 1276 D C 1.791 178.119 176.300 0.046 0.000 0.993 1276 D CA 1.187 55.205 54.000 0.031 0.000 0.874 1276 D CB -0.079 40.752 40.800 0.052 0.000 0.922 1276 D HN 0.273 nan 8.370 nan 0.000 0.464 1277 L N -0.271 120.977 121.223 0.042 0.000 2.168 1277 L HA 0.139 4.479 4.340 -0.000 0.000 0.203 1277 L C 2.497 179.401 176.870 0.057 0.000 1.078 1277 L CA 1.077 55.944 54.840 0.045 0.000 0.780 1277 L CB -1.140 40.940 42.059 0.035 0.000 0.939 1277 L HN -0.019 nan 8.230 nan 0.000 0.451 1278 G N -1.312 107.525 108.800 0.061 0.000 2.708 1278 G HA2 0.023 3.983 3.960 -0.000 0.000 0.210 1278 G HA3 0.023 3.983 3.960 -0.000 0.000 0.210 1278 G C 1.380 176.338 174.900 0.096 0.000 1.141 1278 G CA 0.662 45.811 45.100 0.082 0.000 0.788 1278 G HN 0.224 nan 8.290 nan 0.000 0.531 1279 V N 0.162 120.129 119.914 0.089 0.000 2.283 1279 V HA 0.011 4.131 4.120 -0.000 0.000 0.239 1279 V C 2.599 178.750 176.094 0.095 0.000 1.035 1279 V CA 1.717 64.088 62.300 0.118 0.000 1.018 1279 V CB -0.276 31.626 31.823 0.132 0.000 0.658 1279 V HN 0.290 nan 8.190 nan 0.000 0.459 1280 K N 0.002 120.448 120.400 0.077 0.000 2.155 1280 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 1280 K C 0.430 177.065 176.600 0.058 0.000 1.052 1280 K CA 0.793 57.118 56.287 0.063 0.000 0.948 1280 K CB 0.167 32.699 32.500 0.054 0.000 0.728 1280 K HN 0.364 nan 8.250 nan 0.000 0.448 1281 E N 2.363 122.600 120.200 0.061 0.000 2.136 1281 E HA 0.020 4.370 4.350 -0.000 0.000 0.246 1281 E C -0.844 175.800 176.600 0.072 0.000 1.017 1281 E CA -0.158 56.278 56.400 0.059 0.000 0.883 1281 E CB 0.842 30.575 29.700 0.055 0.000 1.199 1281 E HN 0.107 nan 8.360 nan 0.000 0.447 1282 K N 2.705 123.145 120.400 0.067 0.000 2.210 1282 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 1282 K C 0.656 177.308 176.600 0.087 0.000 0.990 1282 K CA 0.343 56.675 56.287 0.075 0.000 1.322 1282 K CB -0.560 31.973 32.500 0.055 0.000 0.955 1282 K HN 0.385 nan 8.250 nan 0.000 0.258 1283 L N 0.360 121.656 121.223 0.121 0.000 2.425 1283 L HA 0.213 4.553 4.340 -0.000 0.000 0.215 1283 L C 0.763 177.786 176.870 0.256 0.000 1.065 1283 L CA 0.334 55.280 54.840 0.177 0.000 0.842 1283 L CB 0.281 42.462 42.059 0.203 0.000 1.033 1283 L HN 0.323 nan 8.230 nan 0.000 0.474 1284 I N -0.708 119.993 120.570 0.219 0.000 2.406 1284 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 1284 I C -0.522 175.719 176.117 0.206 0.000 0.999 1284 I CA -0.695 60.749 61.300 0.240 0.000 1.124 1284 I CB 1.800 39.912 38.000 0.187 0.000 1.289 1284 I HN -0.167 nan 8.210 nan 0.000 0.441 1285 E N 5.856 126.170 120.200 0.190 0.000 2.130 1285 E HA 0.167 4.517 4.350 -0.000 0.000 0.284 1285 E C -0.598 176.105 176.600 0.172 0.000 1.018 1285 E CA -0.385 56.102 56.400 0.144 0.000 0.817 1285 E CB 0.867 30.613 29.700 0.078 0.000 1.078 1285 E HN 0.317 nan 8.360 nan 0.000 0.396 1286 K N 3.320 123.810 120.400 0.149 0.000 2.262 1286 K HA 0.302 4.622 4.320 -0.000 0.000 0.288 1286 K C -0.705 175.903 176.600 0.013 0.000 1.090 1286 K CA -0.119 56.204 56.287 0.061 0.000 0.918 1286 K CB 0.361 32.912 32.500 0.084 0.000 1.139 1286 K HN 0.537 nan 8.250 nan 0.000 0.462 1287 A N 4.029 126.850 122.820 0.002 0.000 3.258 1287 A HA 0.381 4.701 4.320 -0.000 0.000 0.275 1287 A C 0.962 178.575 177.584 0.049 0.000 1.452 1287 A CA 0.272 52.325 52.037 0.027 0.000 1.120 1287 A CB -0.436 18.578 19.000 0.023 0.000 1.107 1287 A HN 1.065 nan 8.150 nan 0.000 0.651 1288 G N 0.337 109.131 108.800 -0.009 0.000 4.951 1288 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.295 1288 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.295 1288 G C 1.301 176.140 174.900 -0.103 0.000 1.540 1288 G CA 0.613 45.702 45.100 -0.019 0.000 1.044 1288 G HN 1.726 nan 8.290 nan 0.000 0.731 1289 A N -0.793 121.968 122.820 -0.098 0.000 2.382 1289 A HA 0.582 4.902 4.320 -0.000 0.000 0.228 1289 A C 0.448 177.768 177.584 -0.441 0.000 1.217 1289 A CA 0.440 52.318 52.037 -0.265 0.000 0.923 1289 A CB 0.140 18.996 19.000 -0.240 0.000 0.979 1289 A HN 0.554 nan 8.150 nan 0.000 0.515 1290 W N -1.047 120.057 121.300 -0.327 0.000 2.449 1290 W HA 0.586 5.246 4.660 -0.000 0.000 0.331 1290 W C -0.686 175.595 176.519 -0.397 0.000 1.119 1290 W CA -0.087 57.095 57.345 -0.272 0.000 1.240 1290 W CB 0.606 29.979 29.460 -0.145 0.000 1.251 1290 W HN 0.182 nan 8.180 nan 0.000 0.576 1291 Y N 2.252 122.677 120.300 0.209 0.000 2.345 1291 Y HA 0.398 4.948 4.550 -0.000 0.000 0.331 1291 Y C 0.158 176.094 175.900 0.060 0.000 0.959 1291 Y CA -0.715 57.444 58.100 0.098 0.000 1.204 1291 Y CB 1.259 39.736 38.460 0.028 0.000 1.135 1291 Y HN 0.149 nan 8.280 nan 0.000 0.477 1292 S N 2.938 118.764 115.700 0.210 0.000 2.501 1292 S HA 0.325 4.795 4.470 -0.000 0.000 0.301 1292 S C -1.591 173.092 174.600 0.139 0.000 1.096 1292 S CA -0.738 57.522 58.200 0.101 0.000 1.063 1292 S CB 1.227 64.453 63.200 0.043 0.000 1.042 1292 S HN 0.531 nan 8.310 nan 0.000 0.494 1293 Y N 2.977 123.235 120.300 -0.071 0.000 2.555 1293 Y HA 0.360 4.910 4.550 -0.000 0.000 0.326 1293 Y C -0.179 175.714 175.900 -0.011 0.000 0.984 1293 Y CA -0.914 57.166 58.100 -0.034 0.000 1.298 1293 Y CB -0.062 38.365 38.460 -0.055 0.000 1.094 1293 Y HN 0.806 nan 8.280 nan 0.000 0.500 1294 K N 4.754 124.968 120.400 -0.310 0.000 4.361 1294 K HA -0.229 4.091 4.320 -0.000 0.000 0.294 1294 K C 1.035 177.547 176.600 -0.147 0.000 0.970 1294 K CA 0.854 56.972 56.287 -0.282 0.000 0.913 1294 K CB -1.308 30.932 32.500 -0.434 0.000 1.583 1294 K HN 1.242 nan 8.250 nan 0.000 0.438 1295 G N 0.694 109.438 108.800 -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 0.010 174.867 174.900 -0.070 0.000 1.242 1295 G CA 0.732 45.787 45.100 -0.076 0.000 0.789 1295 G HN 0.661 nan 8.290 nan 0.000 0.517 1296 E N 2.084 122.251 120.200 -0.054 0.000 2.290 1296 E HA 0.369 4.719 4.350 -0.000 0.000 0.277 1296 E C -0.188 176.380 176.600 -0.053 0.000 1.035 1296 E CA -0.167 56.210 56.400 -0.038 0.000 0.873 1296 E CB 0.335 30.037 29.700 0.003 0.000 1.029 1296 E HN 0.447 nan 8.360 nan 0.000 0.419 1297 K N 4.427 124.789 120.400 -0.064 0.000 2.297 1297 K HA 0.180 4.500 4.320 -0.000 0.000 0.286 1297 K C 0.884 177.409 176.600 -0.125 0.000 1.053 1297 K CA -0.036 56.226 56.287 -0.041 0.000 0.940 1297 K CB 0.844 33.333 32.500 -0.018 0.000 1.019 1297 K HN 0.583 nan 8.250 nan 0.000 0.475 1298 I N -1.447 118.981 120.570 -0.238 0.000 4.139 1298 I HA 0.364 4.534 4.170 -0.000 0.000 0.320 1298 I C 0.553 176.400 176.117 -0.450 0.000 1.290 1298 I CA -0.143 60.707 61.300 -0.751 0.000 1.253 1298 I CB 1.084 38.334 38.000 -1.249 0.000 1.122 1298 I HN 0.504 nan 8.210 nan 0.000 0.421 1299 G N 1.118 109.882 108.800 -0.060 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 -2.153 172.759 174.900 0.020 0.000 1.513 1299 G CA -0.573 44.544 45.100 0.028 0.000 0.851 1299 G HN 0.192 nan 8.290 nan 0.000 0.548 1300 Q N 0.494 120.181 119.800 -0.188 0.000 2.333 1300 Q HA 0.566 4.906 4.340 -0.000 0.000 0.265 1300 Q C 0.333 176.202 176.000 -0.217 0.000 0.989 1300 Q CA 0.320 55.838 55.803 -0.474 0.000 0.842 1300 Q CB 1.408 29.606 28.738 -0.900 0.000 1.262 1300 Q HN 2.224 nan 8.270 nan 0.000 0.451 1301 G N 3.149 111.852 108.800 -0.162 0.000 2.854 1301 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.686 1301 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.686 1301 G C 0.195 175.220 174.900 0.208 0.000 1.202 1301 G CA 0.090 45.189 45.100 -0.002 0.000 0.878 1301 G HN 0.839 nan 8.290 nan 0.000 0.583 1302 K N 1.530 122.123 120.400 0.322 0.000 2.189 1302 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 1302 K C 2.875 179.537 176.600 0.102 0.000 1.046 1302 K CA 2.597 59.025 56.287 0.236 0.000 0.928 1302 K CB -0.345 32.252 32.500 0.161 0.000 0.720 1302 K HN 1.289 nan 8.250 nan 0.000 0.458 1303 A N 1.992 124.864 122.820 0.086 0.000 1.863 1303 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 1303 A C 1.791 179.411 177.584 0.061 0.000 1.233 1303 A CA 2.284 54.356 52.037 0.057 0.000 0.655 1303 A CB -0.884 18.135 19.000 0.033 0.000 0.839 1303 A HN 0.529 nan 8.150 nan 0.000 0.454 1304 N N -0.138 118.599 118.700 0.063 0.000 2.354 1304 N HA 0.029 4.769 4.740 -0.000 0.000 0.179 1304 N C 1.904 177.484 175.510 0.115 0.000 1.021 1304 N CA 1.144 54.240 53.050 0.077 0.000 0.887 1304 N CB -0.458 38.059 38.487 0.050 0.000 0.974 1304 N HN 0.529 nan 8.380 nan 0.000 0.437 1305 A N 1.567 124.445 122.820 0.096 0.000 1.841 1305 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 1305 A C 2.352 179.975 177.584 0.065 0.000 1.199 1305 A CA 2.187 54.251 52.037 0.044 0.000 0.621 1305 A CB -1.359 17.524 19.000 -0.195 0.000 0.835 1305 A HN 0.250 nan 8.150 nan 0.000 0.445 1306 T N 0.739 115.309 114.554 0.026 0.000 2.427 1306 T HA -0.286 4.064 4.350 -0.000 0.000 0.244 1306 T C 2.001 176.733 174.700 0.054 0.000 1.325 1306 T CA 2.676 64.816 62.100 0.067 0.000 1.173 1306 T CB -0.920 67.998 68.868 0.083 0.000 0.859 1306 T HN 0.799 nan 8.240 nan 0.000 0.415 1307 A N -0.622 122.229 122.820 0.052 0.000 2.259 1307 A HA -0.009 4.311 4.320 -0.000 0.000 0.212 1307 A C 1.836 179.416 177.584 -0.006 0.000 1.178 1307 A CA 1.067 53.104 52.037 -0.000 0.000 0.734 1307 A CB -1.015 17.998 19.000 0.021 0.000 0.774 1307 A HN 0.740 nan 8.150 nan 0.000 0.481 1308 W N 0.275 121.500 121.300 -0.124 0.000 2.444 1308 W HA -0.045 4.615 4.660 -0.000 0.000 0.308 1308 W C 1.624 178.011 176.519 -0.220 0.000 1.183 1308 W CA 1.553 58.822 57.345 -0.127 0.000 1.340 1308 W CB -0.281 29.136 29.460 -0.071 0.000 1.138 1308 W HN 0.220 nan 8.180 nan 0.000 0.510 1309 L N 1.055 122.211 121.223 -0.112 0.000 2.189 1309 L HA -0.267 4.073 4.340 -0.000 0.000 0.214 1309 L C 2.402 178.766 176.870 -0.844 0.000 1.097 1309 L CA 1.672 56.256 54.840 -0.426 0.000 0.764 1309 L CB -1.076 40.853 42.059 -0.216 0.000 0.900 1309 L HN 0.055 nan 8.230 nan 0.000 0.436 1310 K N 0.110 120.003 120.400 -0.845 0.000 2.152 1310 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 1310 K C 1.284 177.552 176.600 -0.554 0.000 1.048 1310 K CA 1.572 57.344 56.287 -0.859 0.000 0.933 1310 K CB 0.112 32.343 32.500 -0.448 0.000 0.721 1310 K HN 0.301 nan 8.250 nan 0.000 0.447 1311 D N -0.194 119.894 120.400 -0.521 0.000 2.367 1311 D HA 0.008 4.648 4.640 -0.000 0.000 0.207 1311 D C -0.235 175.780 176.300 -0.475 0.000 1.034 1311 D CA 0.445 54.190 54.000 -0.425 0.000 0.861 1311 D CB 0.254 40.840 40.800 -0.357 0.000 0.943 1311 D HN 0.214 nan 8.370 nan 0.000 0.515 1312 N N 1.445 119.764 118.700 -0.634 0.000 2.886 1312 N HA 0.154 4.894 4.740 -0.000 0.000 0.285 1312 N C -2.162 173.104 175.510 -0.407 0.000 1.706 1312 N CA -1.085 51.636 53.050 -0.550 0.000 0.904 1312 N CB 1.975 39.978 38.487 -0.806 0.000 1.224 1312 N HN -0.055 nan 8.380 nan 0.000 0.488 1313 P HA -0.199 nan 4.420 nan 0.000 0.214 1313 P C 1.719 178.931 177.300 -0.147 0.000 1.163 1313 P CA 1.384 64.355 63.100 -0.214 0.000 0.883 1313 P CB 0.293 31.901 31.700 -0.153 0.000 0.788 1314 E N -0.048 120.079 120.200 -0.123 0.000 2.085 1314 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 1314 E C 1.564 178.125 176.600 -0.064 0.000 0.994 1314 E CA 2.124 58.479 56.400 -0.076 0.000 0.801 1314 E CB -2.137 27.531 29.700 -0.054 0.000 0.743 1314 E HN 0.174 nan 8.360 nan 0.000 0.453 1315 T N 1.395 115.890 114.554 -0.098 0.000 2.759 1315 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 1315 T C 1.953 176.595 174.700 -0.098 0.000 1.042 1315 T CA 2.036 64.085 62.100 -0.086 0.000 1.140 1315 T CB -0.364 68.426 68.868 -0.130 0.000 0.864 1315 T HN 0.478 nan 8.240 nan 0.000 0.455 1316 A N 2.121 124.878 122.820 -0.105 0.000 1.826 1316 A HA -0.024 4.296 4.320 -0.000 0.000 0.214 1316 A C 2.164 179.753 177.584 0.008 0.000 1.212 1316 A CA 1.023 53.044 52.037 -0.027 0.000 0.605 1316 A CB -0.422 18.596 19.000 0.030 0.000 0.861 1316 A HN 0.348 nan 8.150 nan 0.000 0.447 1317 K N -0.122 120.265 120.400 -0.022 0.000 2.520 1317 K HA -0.175 4.145 4.320 -0.000 0.000 0.197 1317 K C 1.753 178.364 176.600 0.018 0.000 1.044 1317 K CA 1.249 57.527 56.287 -0.015 0.000 0.938 1317 K CB -0.021 32.445 32.500 -0.057 0.000 0.767 1317 K HN 0.711 nan 8.250 nan 0.000 0.481 1318 E N 1.019 121.230 120.200 0.020 0.000 2.127 1318 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 1318 E C 1.980 178.616 176.600 0.060 0.000 0.964 1318 E CA 0.154 56.578 56.400 0.040 0.000 0.832 1318 E CB 0.148 29.876 29.700 0.046 0.000 0.790 1318 E HN 0.195 nan 8.360 nan 0.000 0.465 1319 I N 1.770 122.374 120.570 0.058 0.000 2.286 1319 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 1319 I C 2.650 178.815 176.117 0.081 0.000 1.115 1319 I CA 1.106 62.452 61.300 0.076 0.000 1.392 1319 I CB -0.329 37.700 38.000 0.049 0.000 1.065 1319 I HN 0.272 nan 8.210 nan 0.000 0.418 1320 E N 1.734 121.989 120.200 0.090 0.000 2.019 1320 E HA -0.372 3.978 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 2.303 58.770 56.400 0.112 0.000 0.856 1320 E CB -0.178 29.617 29.700 0.157 0.000 0.781 1320 E HN 0.317 nan 8.360 nan 0.000 0.471 1321 K N 0.358 120.797 120.400 0.065 0.000 2.107 1321 K HA -0.237 4.083 4.320 -0.000 0.000 0.211 1321 K C 2.251 178.878 176.600 0.046 0.000 1.049 1321 K CA 1.929 58.245 56.287 0.048 0.000 0.927 1321 K CB -0.045 32.480 32.500 0.041 0.000 0.714 1321 K HN -0.026 nan 8.250 nan 0.000 0.452 1322 K N 0.308 120.742 120.400 0.056 0.000 2.152 1322 K HA -0.106 4.214 4.320 -0.000 0.000 0.206 1322 K C 1.976 178.606 176.600 0.050 0.000 1.048 1322 K CA 1.333 57.654 56.287 0.058 0.000 0.933 1322 K CB -0.059 32.488 32.500 0.078 0.000 0.721 1322 K HN 0.138 nan 8.250 nan 0.000 0.447 1323 V N 0.419 120.363 119.914 0.050 0.000 2.788 1323 V HA -0.059 4.061 4.120 -0.000 0.000 0.251 1323 V C 2.189 178.297 176.094 0.024 0.000 1.068 1323 V CA 0.954 63.277 62.300 0.039 0.000 1.090 1323 V CB -0.388 31.459 31.823 0.039 0.000 0.710 1323 V HN 0.215 nan 8.190 nan 0.000 0.467 1324 R N 0.145 120.658 120.500 0.023 0.000 2.189 1324 R HA -0.098 4.242 4.340 -0.000 0.000 0.223 1324 R C 2.140 178.447 176.300 0.013 0.000 1.092 1324 R CA 1.152 57.259 56.100 0.011 0.000 0.989 1324 R CB -0.058 30.249 30.300 0.012 0.000 0.876 1324 R HN 0.619 nan 8.270 nan 0.000 0.457 1325 E N 0.139 120.352 120.200 0.020 0.000 2.230 1325 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 1325 E C 1.505 178.116 176.600 0.018 0.000 0.987 1325 E CA 0.577 56.989 56.400 0.019 0.000 0.841 1325 E CB 0.245 29.959 29.700 0.024 0.000 0.783 1325 E HN 0.228 nan 8.360 nan 0.000 0.481 1326 L N 0.162 121.398 121.223 0.022 0.000 2.567 1326 L HA 0.114 4.454 4.340 -0.000 0.000 0.225 1326 L C 1.264 178.144 176.870 0.017 0.000 1.119 1326 L CA 0.286 55.139 54.840 0.022 0.000 0.871 1326 L CB 0.561 42.638 42.059 0.030 0.000 1.036 1326 L HN 0.062 nan 8.230 nan 0.000 0.459 1327 L N -0.683 120.547 121.223 0.012 0.000 3.429 1327 L HA 0.298 4.638 4.340 -0.000 0.000 0.311 1327 L C -1.001 175.869 176.870 -0.000 0.000 1.274 1327 L CA -0.025 54.819 54.840 0.006 0.000 1.037 1327 L CB 0.925 42.987 42.059 0.005 0.000 1.433 1327 L HN 0.042 nan 8.230 nan 0.000 0.614 2007 Q N 0.555 120.357 119.800 0.004 0.000 2.444 2007 Q HA 0.066 4.406 4.340 -0.000 0.000 0.206 2007 Q C 0.812 176.816 176.000 0.007 0.000 0.948 2007 Q CA 0.519 56.325 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 0.305 nan 8.270 nan 0.000 0.513 2008 K N 0.757 121.161 120.400 0.006 0.000 1.984 2008 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 2008 K C 1.912 178.517 176.600 0.008 0.000 1.046 2008 K CA 1.329 57.620 56.287 0.006 0.000 0.934 2008 K CB -0.034 32.469 32.500 0.005 0.000 0.717 2008 K HN 0.154 nan 8.250 nan 0.000 0.438 2009 A N 0.414 123.239 122.820 0.008 0.000 2.016 2009 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 2009 A C 1.892 179.484 177.584 0.012 0.000 1.162 2009 A CA 0.706 52.749 52.037 0.010 0.000 0.662 2009 A CB -0.247 18.758 19.000 0.008 0.000 0.812 2009 A HN 0.286 nan 8.150 nan 0.000 0.450 2010 L N -0.432 120.799 121.223 0.012 0.000 2.022 2010 L HA 0.159 4.499 4.340 -0.000 0.000 0.204 2010 L C 2.663 179.544 176.870 0.018 0.000 1.076 2010 L CA 1.871 56.720 54.840 0.015 0.000 0.749 2010 L CB -0.684 41.383 42.059 0.013 0.000 0.903 2010 L HN 0.270 nan 8.230 nan 0.000 0.439 2011 A N -0.648 122.181 122.820 0.016 0.000 2.139 2011 A HA -0.149 4.171 4.320 -0.000 0.000 0.221 2011 A C 2.228 179.823 177.584 0.018 0.000 1.159 2011 A CA 1.910 53.957 52.037 0.017 0.000 0.662 2011 A CB -0.949 18.059 19.000 0.014 0.000 0.796 2011 A HN 0.603 nan 8.150 nan 0.000 0.463 2012 A N -0.859 121.971 122.820 0.017 0.000 1.901 2012 A HA 0.491 4.811 4.320 -0.000 0.000 0.210 2012 A C 2.283 179.880 177.584 0.021 0.000 1.208 2012 A CA 1.115 53.162 52.037 0.017 0.000 0.644 2012 A CB -0.745 18.263 19.000 0.013 0.000 0.863 2012 A HN 1.007 nan 8.150 nan 0.000 0.454 2013 A N -0.474 122.360 122.820 0.023 0.000 2.209 2013 A HA 0.254 4.574 4.320 -0.000 0.000 0.212 2013 A C 1.926 179.533 177.584 0.039 0.000 1.158 2013 A CA 0.582 52.637 52.037 0.029 0.000 0.742 2013 A CB -0.469 18.548 19.000 0.028 0.000 0.790 2013 A HN 0.461 nan 8.150 nan 0.000 0.472 2014 L N -0.987 120.258 121.223 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 1.197 56.064 54.840 0.044 0.000 0.753 2014 L CB -0.952 41.130 42.059 0.038 0.000 0.893 2014 L HN 0.446 nan 8.230 nan 0.000 0.436 2015 G N -1.116 107.708 108.800 0.039 0.000 2.564 2015 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 2015 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 2015 G C 1.404 176.325 174.900 0.035 0.000 1.120 2015 G CA 0.192 45.313 45.100 0.036 0.000 0.752 2015 G HN 0.365 nan 8.290 nan 0.000 0.558 2016 Q N -0.453 119.369 119.800 0.037 0.000 2.297 2016 Q HA 0.005 4.345 4.340 -0.000 0.000 0.204 2016 Q C 2.268 178.294 176.000 0.045 0.000 0.962 2016 Q CA 0.577 56.398 55.803 0.031 0.000 0.879 2016 Q CB 0.066 28.823 28.738 0.032 0.000 0.947 2016 Q HN 0.529 nan 8.270 nan 0.000 0.462 2017 I N -0.888 119.734 120.570 0.087 0.000 3.081 2017 I HA -0.014 4.156 4.170 -0.000 0.000 0.274 2017 I C 1.790 177.999 176.117 0.155 0.000 1.178 2017 I CA 0.502 61.901 61.300 0.166 0.000 1.460 2017 I CB -0.874 37.248 38.000 0.204 0.000 1.137 2017 I HN 0.105 nan 8.210 nan 0.000 0.443 2018 E N 1.513 121.775 120.200 0.102 0.000 2.150 2018 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 2018 E C 2.073 178.706 176.600 0.055 0.000 0.985 2018 E CA 0.894 57.345 56.400 0.085 0.000 0.814 2018 E CB 0.131 29.869 29.700 0.064 0.000 0.752 2018 E HN 0.363 nan 8.360 nan 0.000 0.466 2019 K N 0.665 121.081 120.400 0.027 0.000 2.062 2019 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 2019 K C 2.138 178.712 176.600 -0.044 0.000 1.051 2019 K CA 1.120 57.404 56.287 -0.005 0.000 0.941 2019 K CB 0.133 32.624 32.500 -0.014 0.000 0.719 2019 K HN 0.028 nan 8.250 nan 0.000 0.440 2020 Q N -1.169 118.579 119.800 -0.087 0.000 2.259 2020 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 2020 Q C -0.122 175.657 176.000 -0.368 0.000 0.938 2020 Q CA 0.592 56.227 55.803 -0.279 0.000 0.872 2020 Q CB 0.507 28.994 28.738 -0.418 0.000 0.971 2020 Q HN 0.154 nan 8.270 nan 0.000 0.494 2021 F N 0.428 120.393 119.950 0.025 0.000 2.893 2021 F HA 0.398 4.925 4.527 -0.000 0.000 0.340 2021 F C 0.194 176.015 175.800 0.036 0.000 1.300 2021 F CA 0.052 58.069 58.000 0.029 0.000 1.227 2021 F CB 1.103 40.121 39.000 0.030 0.000 1.044 2021 F HN 0.066 nan 8.300 nan 0.000 0.512 2022 G N 1.385 110.289 108.800 0.173 0.000 2.977 2022 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.686 2022 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.686 2022 G C -0.460 174.506 174.900 0.111 0.000 1.088 2022 G CA -1.118 44.059 45.100 0.128 0.000 0.845 2022 G HN 0.257 nan 8.290 nan 0.000 0.565 2023 K N 1.172 121.619 120.400 0.078 0.000 2.419 2023 K HA 0.492 4.812 4.320 -0.000 0.000 0.282 2023 K C 1.200 177.843 176.600 0.071 0.000 1.056 2023 K CA 1.239 57.566 56.287 0.065 0.000 1.035 2023 K CB 0.695 33.222 32.500 0.046 0.000 0.921 2023 K HN 2.226 nan 8.250 nan 0.000 0.472 2024 G N 2.092 110.937 108.800 0.075 0.000 2.401 2024 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.283 2024 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.283 2024 G C 0.156 175.108 174.900 0.087 0.000 1.117 2024 G CA -0.072 45.072 45.100 0.074 0.000 1.051 2024 G HN 0.474 nan 8.290 nan 0.000 0.510 2025 S N -0.295 115.465 115.700 0.100 0.000 2.552 2025 S HA 0.632 5.102 4.470 -0.000 0.000 0.246 2025 S C 0.296 174.951 174.600 0.092 0.000 1.019 2025 S CA 0.414 58.674 58.200 0.100 0.000 1.045 2025 S CB -0.213 63.051 63.200 0.107 0.000 0.784 2025 S HN 1.138 nan 8.310 nan 0.000 0.453 2026 I N 1.238 121.864 120.570 0.094 0.000 2.614 2026 I HA 0.340 4.510 4.170 -0.000 0.000 0.300 2026 I C -2.168 174.002 176.117 0.088 0.000 1.825 2026 I CA -0.680 60.676 61.300 0.094 0.000 0.951 2026 I CB 1.494 39.542 38.000 0.081 0.000 1.487 2026 I HN 0.258 nan 8.210 nan 0.000 0.581 2027 M N 4.056 123.711 119.600 0.092 0.000 2.853 2027 M HA 0.478 4.958 4.480 -0.000 0.000 0.273 2027 M C -1.698 174.646 176.300 0.073 0.000 1.128 2027 M CA -1.021 54.325 55.300 0.077 0.000 0.814 2027 M CB 1.774 34.418 32.600 0.074 0.000 1.667 2027 M HN 0.542 nan 8.290 nan 0.000 0.519 2028 R N 0.800 121.332 120.500 0.054 0.000 2.537 2028 R HA 0.307 4.647 4.340 -0.000 0.000 0.280 2028 R C 0.743 177.072 176.300 0.048 0.000 1.058 2028 R CA -0.076 56.049 56.100 0.041 0.000 1.057 2028 R CB 0.673 30.990 30.300 0.028 0.000 0.973 2028 R HN 0.641 nan 8.270 nan 0.000 0.438 2029 L N 1.649 122.895 121.223 0.039 0.000 2.291 2029 L HA -0.021 4.319 4.340 -0.000 0.000 0.214 2029 L C 1.934 178.830 176.870 0.043 0.000 1.120 2029 L CA 1.088 55.959 54.840 0.053 0.000 0.799 2029 L CB -0.021 42.053 42.059 0.025 0.000 0.925 2029 L HN 0.852 nan 8.230 nan 0.000 0.446 2030 G N -0.854 107.962 108.800 0.026 0.000 3.181 2030 G HA2 0.006 3.966 3.960 -0.000 0.000 0.219 2030 G HA3 0.006 3.966 3.960 -0.000 0.000 0.219 2030 G C 0.344 175.258 174.900 0.024 0.000 1.182 2030 G CA -0.304 44.808 45.100 0.021 0.000 0.791 2030 G HN 0.230 nan 8.290 nan 0.000 0.537 2031 E N 0.105 120.324 120.200 0.031 0.000 2.313 2031 E HA 0.132 4.482 4.350 -0.000 0.000 0.276 2031 E C -0.003 176.613 176.600 0.026 0.000 1.031 2031 E CA -0.262 56.155 56.400 0.028 0.000 0.857 2031 E CB 1.122 30.842 29.700 0.034 0.000 1.040 2031 E HN 0.074 nan 8.360 nan 0.000 0.408 2032 D N 1.273 121.686 120.400 0.021 0.000 2.289 2032 D HA -0.054 4.586 4.640 -0.000 0.000 0.207 2032 D C 0.362 176.672 176.300 0.018 0.000 0.966 2032 D CA 0.488 54.499 54.000 0.018 0.000 0.868 2032 D CB 0.218 41.027 40.800 0.014 0.000 0.943 2032 D HN 0.088 nan 8.370 nan 0.000 0.514 2033 R N 1.436 121.948 120.500 0.021 0.000 2.446 2033 R HA 0.082 4.422 4.340 -0.000 0.000 0.314 2033 R C -0.571 175.742 176.300 0.022 0.000 1.003 2033 R CA 0.190 56.302 56.100 0.021 0.000 1.018 2033 R CB 0.080 30.395 30.300 0.024 0.000 0.945 2033 R HN 0.087 nan 8.270 nan 0.000 0.419 2034 S N 4.772 120.482 115.700 0.017 0.000 2.449 2034 S HA 0.342 4.812 4.470 -0.000 0.000 0.310 2034 S C 0.328 174.937 174.600 0.015 0.000 1.096 2034 S CA -1.034 57.175 58.200 0.015 0.000 1.095 2034 S CB 1.415 64.620 63.200 0.009 0.000 1.007 2034 S HN 0.519 nan 8.310 nan 0.000 0.474 2035 M N 2.630 122.241 119.600 0.018 0.000 2.327 2035 M HA 0.082 4.562 4.480 -0.000 0.000 0.353 2035 M C -0.319 175.987 176.300 0.012 0.000 1.539 2035 M CA 0.145 55.455 55.300 0.017 0.000 1.039 2035 M CB -0.424 32.188 32.600 0.021 0.000 1.967 2035 M HN 0.615 nan 8.290 nan 0.000 0.459 2036 D N 3.898 124.304 120.400 0.010 0.000 2.608 2036 D HA 0.280 4.920 4.640 -0.000 0.000 0.224 2036 D C -0.822 175.482 176.300 0.005 0.000 1.123 2036 D CA 0.134 54.138 54.000 0.007 0.000 1.030 2036 D CB 0.153 40.956 40.800 0.006 0.000 1.093 2036 D HN 0.233 nan 8.370 nan 0.000 0.497 2037 V N 1.467 121.383 119.914 0.004 0.000 2.732 2037 V HA 0.322 4.442 4.120 -0.000 0.000 0.310 2037 V C 0.745 176.838 176.094 -0.002 0.000 1.053 2037 V CA -1.018 61.283 62.300 0.002 0.000 0.957 2037 V CB 1.976 33.801 31.823 0.004 0.000 1.018 2037 V HN 0.224 nan 8.190 nan 0.000 0.452 2038 E N 1.232 121.430 120.200 -0.003 0.000 2.373 2038 E HA 0.463 4.813 4.350 -0.000 0.000 0.263 2038 E C -0.267 176.327 176.600 -0.009 0.000 1.073 2038 E CA -0.099 56.298 56.400 -0.005 0.000 0.894 2038 E CB 0.998 30.696 29.700 -0.004 0.000 1.008 2038 E HN 0.909 nan 8.360 nan 0.000 0.420 2039 T N -0.179 114.368 114.554 -0.011 0.000 2.861 2039 T HA 0.549 4.899 4.350 -0.000 0.000 0.287 2039 T C -0.467 174.222 174.700 -0.017 0.000 1.003 2039 T CA -0.915 61.175 62.100 -0.017 0.000 0.977 2039 T CB 0.771 69.627 68.868 -0.020 0.000 0.996 2039 T HN 0.135 nan 8.240 nan 0.000 0.448 2040 I N 2.404 122.962 120.570 -0.021 0.000 2.354 2040 I HA 0.351 4.521 4.170 -0.000 0.000 0.292 2040 I C 0.910 177.010 176.117 -0.029 0.000 0.989 2040 I CA -0.600 60.688 61.300 -0.020 0.000 1.188 2040 I CB 1.517 39.508 38.000 -0.016 0.000 1.342 2040 I HN 0.856 nan 8.210 nan 0.000 0.457 2041 S N 3.623 119.306 115.700 -0.029 0.000 2.546 2041 S HA 0.015 4.485 4.470 -0.000 0.000 0.290 2041 S C 1.611 176.180 174.600 -0.052 0.000 1.290 2041 S CA 0.144 58.316 58.200 -0.046 0.000 1.069 2041 S CB 0.391 63.569 63.200 -0.036 0.000 0.846 2041 S HN 0.810 nan 8.310 nan 0.000 0.495 2042 T N 2.654 117.159 114.554 -0.082 0.000 2.951 2042 T HA 0.226 4.576 4.350 -0.000 0.000 0.268 2042 T C 1.544 176.199 174.700 -0.076 0.000 1.073 2042 T CA 1.154 63.205 62.100 -0.081 0.000 1.134 2042 T CB -0.467 68.327 68.868 -0.123 0.000 0.884 2042 T HN 1.403 nan 8.240 nan 0.000 0.479 2043 G N 0.438 109.176 108.800 -0.105 0.000 2.436 2043 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.204 2043 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.204 2043 G C 0.374 175.144 174.900 -0.216 0.000 1.026 2043 G CA 0.173 45.224 45.100 -0.082 0.000 0.658 2043 G HN 0.982 nan 8.290 nan 0.000 0.499 2044 S N 2.070 117.577 115.700 -0.322 0.000 2.404 2044 S HA 0.587 5.057 4.470 -0.000 0.000 0.309 2044 S C 1.854 176.188 174.600 -0.443 0.000 1.076 2044 S CA -0.441 57.453 58.200 -0.509 0.000 1.095 2044 S CB 0.244 62.828 63.200 -1.028 0.000 0.972 2044 S HN 0.346 nan 8.310 nan 0.000 0.484 2045 L N 4.402 125.352 121.223 -0.455 0.000 2.034 2045 L HA -0.158 4.182 4.340 -0.000 0.000 0.217 2045 L C 2.780 179.497 176.870 -0.254 0.000 1.077 2045 L CA 2.566 57.193 54.840 -0.355 0.000 0.769 2045 L CB -1.670 40.156 42.059 -0.389 0.000 0.890 2045 L HN 0.890 nan 8.230 nan 0.000 0.435 2046 S N -0.895 114.653 115.700 -0.253 0.000 2.423 2046 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 2046 S C 1.991 176.483 174.600 -0.181 0.000 1.014 2046 S CA 0.832 58.930 58.200 -0.170 0.000 0.965 2046 S CB -0.584 62.554 63.200 -0.103 0.000 0.785 2046 S HN 0.426 nan 8.310 nan 0.000 0.495 2047 L N 1.577 122.627 121.223 -0.289 0.000 2.005 2047 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 2047 L C 2.112 178.887 176.870 -0.158 0.000 1.072 2047 L CA 1.986 56.687 54.840 -0.232 0.000 0.744 2047 L CB -0.628 41.240 42.059 -0.318 0.000 0.895 2047 L HN 0.183 nan 8.230 nan 0.000 0.433 2048 D N 0.343 120.640 120.400 -0.171 0.000 2.160 2048 D HA -0.288 4.352 4.640 -0.000 0.000 0.189 2048 D C 2.093 178.339 176.300 -0.090 0.000 1.003 2048 D CA 1.956 55.883 54.000 -0.122 0.000 0.846 2048 D CB -0.442 40.281 40.800 -0.128 0.000 0.949 2048 D HN 0.357 nan 8.370 nan 0.000 0.446 2049 I N 1.126 121.640 120.570 -0.093 0.000 2.087 2049 I HA -0.335 3.835 4.170 -0.000 0.000 0.240 2049 I C 2.412 178.503 176.117 -0.043 0.000 1.054 2049 I CA 1.799 63.063 61.300 -0.061 0.000 1.311 2049 I CB -0.263 37.702 38.000 -0.058 0.000 1.024 2049 I HN -0.026 nan 8.210 nan 0.000 0.402 2050 A N -0.149 122.644 122.820 -0.045 0.000 2.119 2050 A HA -0.063 4.256 4.320 -0.000 0.000 0.217 2050 A C 2.278 179.845 177.584 -0.029 0.000 1.153 2050 A CA 0.841 52.864 52.037 -0.023 0.000 0.692 2050 A CB -0.703 18.290 19.000 -0.013 0.000 0.799 2050 A HN 0.438 nan 8.150 nan 0.000 0.458 2051 L N -1.632 119.563 121.223 -0.048 0.000 2.191 2051 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 2051 L C 2.179 179.030 176.870 -0.032 0.000 1.103 2051 L CA 1.227 56.038 54.840 -0.049 0.000 0.769 2051 L CB -0.217 41.806 42.059 -0.061 0.000 0.908 2051 L HN 0.624 nan 8.230 nan 0.000 0.438 2052 G N -1.497 107.289 108.800 -0.024 0.000 2.420 2052 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.221 2052 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.221 2052 G C 1.001 175.894 174.900 -0.012 0.000 1.117 2052 G CA 0.426 45.520 45.100 -0.010 0.000 0.657 2052 G HN 0.462 nan 8.290 nan 0.000 0.512 2053 A N 0.362 123.171 122.820 -0.018 0.000 2.147 2053 A HA 0.585 4.905 4.320 -0.000 0.000 0.211 2053 A C 2.364 179.934 177.584 -0.023 0.000 1.160 2053 A CA 1.920 53.947 52.037 -0.016 0.000 0.781 2053 A CB -0.306 18.686 19.000 -0.014 0.000 0.842 2053 A HN 2.560 nan 8.150 nan 0.000 0.475 2054 G N -1.867 106.912 108.800 -0.035 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 0.794 175.664 174.900 -0.051 0.000 1.058 2054 G CA 0.275 45.348 45.100 -0.045 0.000 0.781 2054 G HN 2.308 nan 8.290 nan 0.000 0.496 2055 G N -1.622 107.145 108.800 -0.054 0.000 2.339 2055 G HA2 0.416 4.376 3.960 -0.000 0.000 0.381 2055 G HA3 0.416 4.376 3.960 -0.000 0.000 0.381 2055 G C -0.458 174.415 174.900 -0.044 0.000 1.400 2055 G CA -0.520 44.548 45.100 -0.052 0.000 1.002 2055 G HN 1.016 nan 8.290 nan 0.000 0.633 2056 L N 1.974 123.172 121.223 -0.042 0.000 2.380 2056 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 2056 L C -1.480 175.373 176.870 -0.029 0.000 1.138 2056 L CA -1.605 53.212 54.840 -0.038 0.000 0.832 2056 L CB 1.019 43.055 42.059 -0.038 0.000 1.124 2056 L HN 0.350 nan 8.230 nan 0.000 0.454 2057 P HA -0.002 nan 4.420 nan 0.000 0.264 2057 P C -0.610 176.679 177.300 -0.018 0.000 1.193 2057 P CA -0.063 63.026 63.100 -0.018 0.000 0.763 2057 P CB 0.510 32.202 31.700 -0.014 0.000 0.810 2058 M N 2.168 121.759 119.600 -0.014 0.000 2.200 2058 M HA 0.188 4.668 4.480 -0.000 0.000 0.355 2058 M C 1.555 177.846 176.300 -0.014 0.000 1.283 2058 M CA 0.644 55.935 55.300 -0.015 0.000 1.124 2058 M CB -0.407 32.187 32.600 -0.011 0.000 1.625 2058 M HN 0.809 nan 8.290 nan 0.000 0.463 2059 G N 3.120 111.909 108.800 -0.019 0.000 2.179 2059 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.257 2059 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.257 2059 G C 0.131 175.021 174.900 -0.018 0.000 1.010 2059 G CA 0.042 45.131 45.100 -0.020 0.000 0.736 2059 G HN 0.578 nan 8.290 nan 0.000 0.513 2060 R N -0.823 119.667 120.500 -0.017 0.000 2.892 2060 R HA 0.668 5.008 4.340 -0.000 0.000 0.265 2060 R C 0.274 176.569 176.300 -0.009 0.000 1.025 2060 R CA -1.185 54.912 56.100 -0.006 0.000 0.982 2060 R CB 1.102 31.403 30.300 0.002 0.000 1.185 2060 R HN 0.195 nan 8.270 nan 0.000 0.484 2061 I N 1.432 122.015 120.570 0.020 0.000 2.365 2061 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 2061 I C -0.167 175.971 176.117 0.035 0.000 1.004 2061 I CA -0.715 60.609 61.300 0.039 0.000 1.311 2061 I CB 1.510 39.588 38.000 0.131 0.000 1.401 2061 I HN 0.003 nan 8.210 nan 0.000 0.491 2062 V N 6.384 126.306 119.914 0.013 0.000 2.487 2062 V HA 0.275 4.395 4.120 -0.000 0.000 0.298 2062 V C -0.117 175.999 176.094 0.038 0.000 1.028 2062 V CA -0.637 61.659 62.300 -0.006 0.000 0.860 2062 V CB 1.872 33.672 31.823 -0.038 0.000 0.991 2062 V HN 0.687 nan 8.190 nan 0.000 0.427 2063 E N 4.950 125.145 120.200 -0.009 0.000 2.113 2063 E HA 0.522 4.872 4.350 -0.000 0.000 0.273 2063 E C -1.301 175.219 176.600 -0.133 0.000 0.924 2063 E CA -0.497 55.895 56.400 -0.013 0.000 0.764 2063 E CB 1.247 30.904 29.700 -0.071 0.000 1.104 2063 E HN 0.613 nan 8.360 nan 0.000 0.406 2064 I N 6.243 126.784 120.570 -0.050 0.000 2.339 2064 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 2064 I C -0.695 175.459 176.117 0.061 0.000 0.994 2064 I CA -0.890 60.376 61.300 -0.057 0.000 1.191 2064 I CB 0.476 38.482 38.000 0.010 0.000 1.343 2064 I HN 0.463 nan 8.210 nan 0.000 0.458 2065 Y N 4.586 124.889 120.300 0.005 0.000 2.662 2065 Y HA 1.005 5.555 4.550 -0.000 0.000 0.335 2065 Y C -0.147 175.753 175.900 0.001 0.000 1.066 2065 Y CA -2.495 55.605 58.100 -0.001 0.000 1.116 2065 Y CB 1.089 39.538 38.460 -0.019 0.000 1.308 2065 Y HN 0.643 nan 8.280 nan 0.000 0.502 2066 G N -0.258 108.659 108.800 0.195 0.000 2.313 2066 G HA2 0.430 4.390 3.960 -0.000 0.000 0.296 2066 G HA3 0.430 4.390 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 -1.146 43.980 45.100 0.043 0.000 0.833 2066 G HN 0.564 nan 8.290 nan 0.000 0.552 2067 P HA 0.219 nan 4.420 nan 0.000 0.271 2067 P C 0.293 177.578 177.300 -0.025 0.000 1.233 2067 P CA -0.124 62.950 63.100 -0.044 0.000 0.789 2067 P CB 0.399 32.075 31.700 -0.041 0.000 0.951 2068 E N -0.173 120.009 120.200 -0.029 0.000 2.459 2068 E HA 0.031 4.381 4.350 -0.000 0.000 0.264 2068 E C -0.352 176.228 176.600 -0.033 0.000 1.055 2068 E CA -0.389 55.994 56.400 -0.028 0.000 0.957 2068 E CB -0.505 29.175 29.700 -0.033 0.000 0.952 2068 E HN 0.308 nan 8.360 nan 0.000 0.448 2069 S N 0.721 116.395 115.700 -0.043 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 0.820 58.984 58.200 -0.060 0.000 1.229 2069 S CB -1.912 61.251 63.200 -0.063 0.000 0.917 2069 S HN 0.748 nan 8.310 nan 0.000 0.496 2070 S N -0.325 115.356 115.700 -0.033 0.000 2.510 2070 S HA 0.542 5.012 4.470 -0.000 0.000 0.230 2070 S C 1.588 176.172 174.600 -0.027 0.000 1.066 2070 S CA 0.611 58.799 58.200 -0.021 0.000 0.941 2070 S CB 0.664 63.867 63.200 0.005 0.000 0.829 2070 S HN 1.753 nan 8.310 nan 0.000 0.530 2071 G N 1.927 110.718 108.800 -0.015 0.000 3.272 2071 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.219 2071 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.219 2071 G C 0.860 175.788 174.900 0.046 0.000 0.952 2071 G CA 0.179 45.278 45.100 -0.001 0.000 0.833 2071 G HN 0.489 nan 8.290 nan 0.000 0.608 2072 K N 0.051 120.480 120.400 0.049 0.000 2.113 2072 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 2072 K C 1.934 178.579 176.600 0.076 0.000 1.047 2072 K CA 1.928 58.259 56.287 0.074 0.000 0.928 2072 K CB -0.533 32.014 32.500 0.078 0.000 0.716 2072 K HN 0.166 nan 8.250 nan 0.000 0.446 2073 T N 0.959 115.548 114.554 0.058 0.000 2.851 2073 T HA -0.057 4.293 4.350 -0.000 0.000 0.262 2073 T C 1.757 176.515 174.700 0.097 0.000 1.043 2073 T CA 1.702 63.847 62.100 0.074 0.000 1.140 2073 T CB -0.322 68.577 68.868 0.052 0.000 0.872 2073 T HN 0.399 nan 8.240 nan 0.000 0.446 2074 T N 2.619 117.233 114.554 0.099 0.000 2.624 2074 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 2074 T C 1.863 176.659 174.700 0.160 0.000 1.041 2074 T CA 1.281 63.491 62.100 0.184 0.000 1.159 2074 T CB -0.586 68.398 68.868 0.194 0.000 0.863 2074 T HN 0.204 nan 8.240 nan 0.000 0.434 2075 L N 0.197 121.508 121.223 0.148 0.000 1.994 2075 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 2075 L C 2.828 179.754 176.870 0.095 0.000 1.071 2075 L CA 1.597 56.519 54.840 0.136 0.000 0.745 2075 L CB -0.742 41.406 42.059 0.149 0.000 0.892 2075 L HN 0.262 nan 8.230 nan 0.000 0.431 2076 T N -0.137 114.474 114.554 0.094 0.000 2.653 2076 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 2076 T C 1.703 176.457 174.700 0.091 0.000 1.035 2076 T CA 1.919 64.074 62.100 0.091 0.000 1.154 2076 T CB -0.211 68.725 68.868 0.114 0.000 0.862 2076 T HN 0.126 nan 8.240 nan 0.000 0.441 2077 L N 0.837 122.115 121.223 0.092 0.000 2.217 2077 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 2077 L C 2.653 179.547 176.870 0.041 0.000 1.107 2077 L CA 1.311 56.185 54.840 0.057 0.000 0.783 2077 L CB -0.495 41.599 42.059 0.058 0.000 0.919 2077 L HN 0.196 nan 8.230 nan 0.000 0.442 2078 Q N -0.673 119.162 119.800 0.058 0.000 2.167 2078 Q HA -0.102 4.238 4.340 -0.000 0.000 0.202 2078 Q C 2.304 178.321 176.000 0.028 0.000 0.970 2078 Q CA 1.810 57.639 55.803 0.044 0.000 0.855 2078 Q CB -0.107 28.671 28.738 0.066 0.000 0.911 2078 Q HN 0.568 nan 8.270 nan 0.000 0.438 2079 V N -1.807 118.124 119.914 0.027 0.000 2.379 2079 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 2079 V C 2.218 178.321 176.094 0.015 0.000 1.044 2079 V CA 1.125 63.434 62.300 0.014 0.000 1.036 2079 V CB -0.862 30.966 31.823 0.008 0.000 0.664 2079 V HN 0.145 nan 8.190 nan 0.000 0.453 2080 I N 1.180 121.764 120.570 0.024 0.000 2.423 2080 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 2080 I C 2.770 178.891 176.117 0.005 0.000 1.151 2080 I CA 1.476 62.788 61.300 0.020 0.000 1.421 2080 I CB -0.530 37.486 38.000 0.028 0.000 1.079 2080 I HN 0.395 nan 8.210 nan 0.000 0.431 2081 A N 0.790 123.612 122.820 0.003 0.000 1.832 2081 A HA -0.042 4.278 4.320 -0.000 0.000 0.214 2081 A C 2.570 180.156 177.584 0.003 0.000 1.204 2081 A CA 1.375 53.411 52.037 -0.003 0.000 0.606 2081 A CB -1.043 17.955 19.000 -0.005 0.000 0.849 2081 A HN 0.357 nan 8.150 nan 0.000 0.445 2082 A N -0.267 122.558 122.820 0.009 0.000 2.032 2082 A HA 0.068 4.388 4.320 -0.000 0.000 0.221 2082 A C 2.365 179.952 177.584 0.006 0.000 1.165 2082 A CA 2.323 54.367 52.037 0.012 0.000 0.645 2082 A CB -0.855 18.152 19.000 0.013 0.000 0.807 2082 A HN 1.062 nan 8.150 nan 0.000 0.453 2083 A N -1.266 121.556 122.820 0.004 0.000 1.898 2083 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 2083 A C 2.070 179.656 177.584 0.003 0.000 1.183 2083 A CA 1.337 53.375 52.037 0.003 0.000 0.622 2083 A CB -0.441 18.561 19.000 0.003 0.000 0.824 2083 A HN 0.581 nan 8.150 nan 0.000 0.444 2084 Q N -0.941 118.860 119.800 0.002 0.000 2.364 2084 Q HA -0.008 4.332 4.340 -0.000 0.000 0.207 2084 Q C 1.417 177.417 176.000 -0.001 0.000 0.970 2084 Q CA 0.655 56.459 55.803 0.001 0.000 0.888 2084 Q CB 0.004 28.740 28.738 -0.002 0.000 0.951 2084 Q HN 0.508 nan 8.270 nan 0.000 0.469 2085 R N -0.104 120.396 120.500 -0.001 0.000 2.426 2085 R HA 0.067 4.407 4.340 -0.000 0.000 0.263 2085 R C 0.458 176.758 176.300 0.000 0.000 0.961 2085 R CA 0.131 56.230 56.100 -0.002 0.000 1.086 2085 R CB 0.475 30.773 30.300 -0.002 0.000 1.186 2085 R HN 0.171 nan 8.270 nan 0.000 0.537 2086 E N -1.523 118.677 120.200 0.001 0.000 2.641 2086 E HA 0.155 4.505 4.350 -0.000 0.000 0.224 2086 E C 0.694 177.295 176.600 0.001 0.000 0.951 2086 E CA 0.329 56.729 56.400 0.001 0.000 1.102 2086 E CB 1.448 31.149 29.700 0.002 0.000 1.091 2086 E HN 0.422 nan 8.360 nan 0.000 0.507 2087 G N 2.110 110.911 108.800 0.002 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 0.113 175.016 174.900 0.004 0.000 1.201 2087 G CA -0.300 44.801 45.100 0.003 0.000 0.739 2087 G HN 0.127 nan 8.290 nan 0.000 0.528 2088 K N 2.937 123.339 120.400 0.003 0.000 2.477 2088 K HA 0.290 4.610 4.320 -0.000 0.000 0.275 2088 K C 0.506 177.110 176.600 0.006 0.000 1.054 2088 K CA 1.187 57.476 56.287 0.004 0.000 1.135 2088 K CB 0.094 32.595 32.500 0.002 0.000 0.854 2088 K HN 0.598 nan 8.250 nan 0.000 0.484 2089 T N 0.152 114.711 114.554 0.009 0.000 2.902 2089 T HA 0.520 4.870 4.350 -0.000 0.000 0.283 2089 T C 0.284 174.994 174.700 0.018 0.000 1.009 2089 T CA -1.089 61.019 62.100 0.014 0.000 1.051 2089 T CB 0.720 69.597 68.868 0.017 0.000 0.999 2089 T HN 0.636 nan 8.240 nan 0.000 0.474 2090 C N 0.759 120.074 119.300 0.025 0.000 2.719 2090 C HA 1.012 5.472 4.460 -0.000 0.000 0.327 2090 C C 0.241 175.266 174.990 0.057 0.000 1.238 2090 C CA -1.177 57.862 59.018 0.035 0.000 1.727 2090 C CB 0.679 28.442 27.740 0.038 0.000 2.256 2090 C HN 1.250 nan 8.230 nan 0.000 0.489 2091 A N 0.635 123.496 122.820 0.068 0.000 2.414 2091 A HA 0.856 5.176 4.320 -0.000 0.000 0.306 2091 A C -1.455 176.222 177.584 0.154 0.000 1.054 2091 A CA -0.246 51.850 52.037 0.099 0.000 0.724 2091 A CB 1.165 20.197 19.000 0.054 0.000 1.267 2091 A HN 1.021 nan 8.150 nan 0.000 0.418 2092 F N 3.991 123.948 119.950 0.012 0.000 2.496 2092 F HA 0.570 5.097 4.527 -0.000 0.000 0.341 2092 F C -0.982 174.846 175.800 0.046 0.000 1.134 2092 F CA -0.982 57.027 58.000 0.016 0.000 0.968 2092 F CB 1.035 40.042 39.000 0.013 0.000 1.205 2092 F HN 0.387 nan 8.300 nan 0.000 0.436 2093 I N 4.539 124.909 120.570 -0.333 0.000 2.325 2093 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 2093 I C -0.518 175.359 176.117 -0.401 0.000 1.019 2093 I CA -0.420 60.746 61.300 -0.224 0.000 1.302 2093 I CB 0.875 38.779 38.000 -0.159 0.000 1.401 2093 I HN 0.484 nan 8.210 nan 0.000 0.485 2094 D N 5.075 125.405 120.400 -0.116 0.000 2.414 2094 D HA 0.587 5.227 4.640 -0.000 0.000 0.232 2094 D C 0.457 176.776 176.300 0.033 0.000 1.070 2094 D CA -0.316 53.669 54.000 -0.024 0.000 0.839 2094 D CB 1.860 42.920 40.800 0.433 0.000 1.079 2094 D HN 0.630 nan 8.370 nan 0.000 0.521 2095 A N 3.734 126.506 122.820 -0.081 0.000 2.303 2095 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 2095 A C 1.543 178.849 177.584 -0.464 0.000 1.205 2095 A CA 0.116 52.082 52.037 -0.118 0.000 0.875 2095 A CB 0.220 19.273 19.000 0.088 0.000 0.910 2095 A HN 0.473 nan 8.150 nan 0.000 0.501 2096 E N -0.234 119.763 120.200 -0.339 0.000 2.166 2096 E HA 0.023 4.373 4.350 -0.000 0.000 0.192 2096 E C -0.615 175.893 176.600 -0.153 0.000 0.967 2096 E CA 0.486 56.753 56.400 -0.222 0.000 0.840 2096 E CB -0.245 29.438 29.700 -0.028 0.000 0.795 2096 E HN 0.804 nan 8.360 nan 0.000 0.470 2097 H N -0.615 118.591 119.070 0.227 0.000 2.765 2097 H HA -0.177 4.378 4.556 -0.000 0.000 0.332 2097 H C 0.442 175.968 175.328 0.330 0.000 1.180 2097 H CA -0.065 56.182 56.048 0.332 0.000 1.142 2097 H CB -1.351 28.497 29.762 0.143 0.000 1.576 2097 H HN 0.279 nan 8.280 nan 0.000 0.420 2098 A N 1.397 124.453 122.820 0.393 0.000 2.084 2098 A HA 0.432 4.752 4.320 -0.000 0.000 0.211 2098 A C 0.864 178.518 177.584 0.116 0.000 2.280 2098 A CA 0.101 52.266 52.037 0.213 0.000 1.128 2098 A CB 0.032 19.109 19.000 0.128 0.000 1.248 2098 A HN 0.709 nan 8.150 nan 0.000 0.624 2099 L N 1.442 122.642 121.223 -0.038 0.000 4.639 2099 L HA -0.167 4.173 4.340 -0.000 0.000 0.580 2099 L C -0.945 175.788 176.870 -0.227 0.000 0.983 2099 L CA 0.688 55.352 54.840 -0.294 0.000 0.510 2099 L CB -0.994 40.584 42.059 -0.802 0.000 0.381 2099 L HN 0.519 nan 8.230 nan 0.000 1.152 2100 D N 8.254 128.581 120.400 -0.122 0.000 2.380 2100 D HA 0.294 4.934 4.640 -0.000 0.000 0.230 2100 D C -1.471 174.807 176.300 -0.037 0.000 1.154 2100 D CA -1.852 52.126 54.000 -0.037 0.000 0.859 2100 D CB 1.203 42.006 40.800 0.005 0.000 1.045 2100 D HN 0.432 nan 8.370 nan 0.000 0.495 2101 P HA -0.206 nan 4.420 nan 0.000 0.214 2101 P C 1.826 179.124 177.300 -0.003 0.000 1.163 2101 P CA 0.746 63.816 63.100 -0.051 0.000 0.889 2101 P CB 0.431 32.136 31.700 0.009 0.000 0.790 2102 I N -1.436 119.156 120.570 0.035 0.000 2.163 2102 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 2102 I C 2.683 178.836 176.117 0.059 0.000 1.085 2102 I CA 1.595 62.922 61.300 0.045 0.000 1.347 2102 I CB -1.786 36.250 38.000 0.060 0.000 1.044 2102 I HN -0.062 nan 8.210 nan 0.000 0.408 2103 Y N 1.850 122.130 120.300 -0.034 0.000 2.181 2103 Y HA -0.211 4.339 4.550 -0.000 0.000 0.288 2103 Y C 2.631 178.505 175.900 -0.044 0.000 1.146 2103 Y CA 1.905 59.984 58.100 -0.035 0.000 1.164 2103 Y CB -0.208 38.224 38.460 -0.046 0.000 0.982 2103 Y HN 0.128 nan 8.280 nan 0.000 0.515 2104 A N 0.268 123.104 122.820 0.027 0.000 1.902 2104 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 2104 A C 2.329 179.854 177.584 -0.098 0.000 1.181 2104 A CA 1.733 53.734 52.037 -0.060 0.000 0.623 2104 A CB -0.758 18.190 19.000 -0.086 0.000 0.818 2104 A HN 0.505 nan 8.150 nan 0.000 0.443 2105 R N -0.251 120.207 120.500 -0.070 0.000 2.091 2105 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 2105 R C 1.948 178.199 176.300 -0.081 0.000 1.136 2105 R CA 1.935 57.999 56.100 -0.060 0.000 0.959 2105 R CB -0.184 30.097 30.300 -0.032 0.000 0.856 2105 R HN 0.506 nan 8.270 nan 0.000 0.437 2106 K N -0.064 120.266 120.400 -0.116 0.000 2.366 2106 K HA -0.010 4.310 4.320 -0.000 0.000 0.198 2106 K C 1.842 178.329 176.600 -0.188 0.000 1.044 2106 K CA 0.458 56.664 56.287 -0.135 0.000 0.973 2106 K CB 0.173 32.595 32.500 -0.131 0.000 0.767 2106 K HN 0.212 nan 8.250 nan 0.000 0.475 2107 L N -0.532 120.541 121.223 -0.251 0.000 2.240 2107 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 2107 L C 0.972 177.782 176.870 -0.100 0.000 1.106 2107 L CA 0.876 55.586 54.840 -0.217 0.000 0.793 2107 L CB 0.207 42.117 42.059 -0.249 0.000 0.927 2107 L HN 0.483 nan 8.230 nan 0.000 0.446 2108 G N -0.372 108.378 108.800 -0.085 0.000 2.157 2108 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.118 2108 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.118 2108 G C -0.279 174.597 174.900 -0.041 0.000 1.032 2108 G CA -0.366 44.704 45.100 -0.050 0.000 0.697 2108 G HN -0.004 nan 8.290 nan 0.000 0.495 2109 V N 1.001 120.884 119.914 -0.052 0.000 2.407 2109 V HA 0.445 4.564 4.120 -0.000 0.000 0.278 2109 V C 0.215 176.284 176.094 -0.042 0.000 1.037 2109 V CA -0.746 61.526 62.300 -0.048 0.000 0.900 2109 V CB 1.811 33.593 31.823 -0.068 0.000 0.983 2109 V HN 0.281 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 0.118 4.758 4.640 -0.000 0.000 0.234 2110 D C 1.094 177.379 176.300 -0.024 0.000 1.224 2110 D CA -0.156 53.832 54.000 -0.021 0.000 0.999 2110 D CB 0.526 41.319 40.800 -0.011 0.000 1.072 2110 D HN 0.299 nan 8.370 nan 0.000 0.514 2111 I N 2.527 123.078 120.570 -0.032 0.000 2.208 2111 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 2111 I C 1.368 177.479 176.117 -0.010 0.000 1.097 2111 I CA 1.121 62.398 61.300 -0.038 0.000 1.363 2111 I CB -0.614 37.361 38.000 -0.042 0.000 1.051 2111 I HN 0.323 nan 8.210 nan 0.000 0.413 2112 D N 0.929 121.330 120.400 0.001 0.000 2.133 2112 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 2112 D C 1.310 177.621 176.300 0.018 0.000 0.997 2112 D CA 1.143 55.151 54.000 0.014 0.000 0.840 2112 D CB -0.259 40.548 40.800 0.013 0.000 0.947 2112 D HN 0.304 nan 8.370 nan 0.000 0.452 2113 N N 0.128 118.835 118.700 0.012 0.000 2.251 2113 N HA 0.075 4.815 4.740 -0.000 0.000 0.217 2113 N C -0.130 175.391 175.510 0.020 0.000 1.124 2113 N CA -0.100 52.960 53.050 0.017 0.000 0.843 2113 N CB 0.600 39.095 38.487 0.012 0.000 1.024 2113 N HN 0.212 nan 8.380 nan 0.000 0.501 2114 L N 1.154 122.387 121.223 0.017 0.000 2.379 2114 L HA 0.431 4.771 4.340 -0.000 0.000 0.269 2114 L C -0.523 176.380 176.870 0.055 0.000 1.084 2114 L CA -0.341 54.513 54.840 0.023 0.000 0.802 2114 L CB 1.098 43.148 42.059 -0.015 0.000 1.175 2114 L HN -0.078 nan 8.230 nan 0.000 0.448 2115 L N 4.485 125.757 121.223 0.082 0.000 2.282 2115 L HA 0.368 4.708 4.340 -0.000 0.000 0.288 2115 L C -0.279 176.695 176.870 0.174 0.000 1.033 2115 L CA -0.411 54.494 54.840 0.108 0.000 0.807 2115 L CB 1.624 43.737 42.059 0.090 0.000 1.209 2115 L HN 0.634 nan 8.230 nan 0.000 0.423 2116 C N 2.293 121.710 119.300 0.194 0.000 2.507 2116 C HA 0.769 5.229 4.460 -0.000 0.000 0.319 2116 C C -0.036 175.090 174.990 0.227 0.000 1.208 2116 C CA -0.186 59.010 59.018 0.297 0.000 1.619 2116 C CB 1.532 29.494 27.740 0.369 0.000 2.230 2116 C HN 0.823 nan 8.230 nan 0.000 0.492 2117 S N 4.168 120.005 115.700 0.229 0.000 2.789 2117 S HA 0.370 4.840 4.470 -0.000 0.000 0.286 2117 S C -1.002 173.694 174.600 0.160 0.000 1.153 2117 S CA -0.313 57.974 58.200 0.145 0.000 1.084 2117 S CB 1.209 64.453 63.200 0.073 0.000 1.036 2117 S HN 0.841 nan 8.310 nan 0.000 0.484 2118 Q N 3.115 123.016 119.800 0.168 0.000 2.569 2118 Q HA 0.281 4.621 4.340 -0.000 0.000 0.226 2118 Q C -2.484 173.631 176.000 0.192 0.000 1.136 2118 Q CA -1.786 54.148 55.803 0.218 0.000 0.947 2118 Q CB 0.537 29.377 28.738 0.170 0.000 1.218 2118 Q HN 0.331 nan 8.270 nan 0.000 0.547 2119 P HA 0.030 nan 4.420 nan 0.000 0.276 2119 P C 0.122 177.541 177.300 0.199 0.000 1.252 2119 P CA -0.384 62.779 63.100 0.105 0.000 0.802 2119 P CB 1.154 32.860 31.700 0.011 0.000 1.035 2120 D N -1.060 119.398 120.400 0.096 0.000 2.201 2120 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 2120 D C 0.035 176.206 176.300 -0.214 0.000 0.961 2120 D CA 1.312 55.374 54.000 0.105 0.000 0.861 2120 D CB 0.585 41.460 40.800 0.126 0.000 0.997 2120 D HN 0.312 nan 8.370 nan 0.000 0.486 2121 T N -1.831 112.578 114.554 -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 -0.092 61.783 62.100 -0.375 0.000 0.995 2121 T CB 1.598 70.331 68.868 -0.225 0.000 1.072 2121 T HN -0.010 nan 8.240 nan 0.000 0.473 2122 G N 2.531 111.138 108.800 -0.322 0.000 2.553 2122 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 2122 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 2122 G C 1.047 175.879 174.900 -0.114 0.000 1.195 2122 G CA 1.705 46.702 45.100 -0.171 0.000 0.779 2122 G HN 0.843 nan 8.290 nan 0.000 0.577 2123 E N -0.144 119.991 120.200 -0.109 0.000 2.045 2123 E HA -0.278 4.072 4.350 -0.000 0.000 0.212 2123 E C 2.475 179.022 176.600 -0.088 0.000 1.039 2123 E CA 1.880 58.239 56.400 -0.067 0.000 0.860 2123 E CB -0.423 29.249 29.700 -0.047 0.000 0.776 2123 E HN 0.650 nan 8.360 nan 0.000 0.467 2124 Q N 0.250 119.972 119.800 -0.129 0.000 2.118 2124 Q HA -0.332 4.008 4.340 -0.000 0.000 0.211 2124 Q C 2.122 177.946 176.000 -0.293 0.000 0.998 2124 Q CA 2.104 57.754 55.803 -0.255 0.000 0.872 2124 Q CB -0.316 28.272 28.738 -0.249 0.000 0.925 2124 Q HN 0.320 nan 8.270 nan 0.000 0.414 2125 A N 0.820 123.532 122.820 -0.180 0.000 1.869 2125 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 2125 A C 2.122 179.650 177.584 -0.094 0.000 1.203 2125 A CA 1.951 53.915 52.037 -0.122 0.000 0.638 2125 A CB -1.090 17.876 19.000 -0.057 0.000 0.831 2125 A HN 0.493 nan 8.150 nan 0.000 0.450 2126 L N -0.774 120.424 121.223 -0.042 0.000 1.990 2126 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 2126 L C 2.604 179.467 176.870 -0.012 0.000 1.072 2126 L CA 1.985 56.832 54.840 0.013 0.000 0.755 2126 L CB -0.779 41.308 42.059 0.047 0.000 0.889 2126 L HN 0.484 nan 8.230 nan 0.000 0.432 2127 E N 0.037 120.214 120.200 -0.039 0.000 2.267 2127 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 2127 E C 2.194 178.796 176.600 0.003 0.000 0.998 2127 E CA 1.108 57.517 56.400 0.015 0.000 0.830 2127 E CB -0.173 29.570 29.700 0.072 0.000 0.751 2127 E HN 0.554 nan 8.360 nan 0.000 0.491 2128 I N 0.468 120.950 120.570 -0.147 0.000 2.233 2128 I HA -0.278 3.891 4.170 -0.000 0.000 0.243 2128 I C 2.424 178.537 176.117 -0.007 0.000 1.093 2128 I CA 0.591 61.829 61.300 -0.103 0.000 1.380 2128 I CB -0.316 37.571 38.000 -0.189 0.000 1.067 2128 I HN 0.214 nan 8.210 nan 0.000 0.413 2129 C N 0.342 119.627 119.300 -0.026 0.000 2.401 2129 C HA -0.222 4.238 4.460 -0.000 0.000 0.276 2129 C C 2.494 177.489 174.990 0.009 0.000 1.233 2129 C CA 0.469 59.475 59.018 -0.020 0.000 1.753 2129 C CB -1.104 26.612 27.740 -0.041 0.000 2.029 2129 C HN 0.538 nan 8.230 nan 0.000 0.478 2130 D N 0.844 121.262 120.400 0.030 0.000 2.230 2130 D HA -0.202 4.438 4.640 -0.000 0.000 0.189 2130 D C 2.248 178.578 176.300 0.049 0.000 1.006 2130 D CA 2.440 56.468 54.000 0.046 0.000 0.853 2130 D CB -0.350 40.494 40.800 0.074 0.000 0.959 2130 D HN 0.517 nan 8.370 nan 0.000 0.449 2131 A N -0.124 122.743 122.820 0.079 0.000 2.119 2131 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 2131 A C 2.421 180.037 177.584 0.054 0.000 1.152 2131 A CA 0.293 52.374 52.037 0.074 0.000 0.708 2131 A CB -0.351 18.714 19.000 0.109 0.000 0.805 2131 A HN 0.254 nan 8.150 nan 0.000 0.460 2132 L N -1.120 120.130 121.223 0.045 0.000 2.217 2132 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 2132 L C 2.929 179.806 176.870 0.013 0.000 1.107 2132 L CA 0.752 55.609 54.840 0.028 0.000 0.783 2132 L CB -0.304 41.765 42.059 0.017 0.000 0.919 2132 L HN 0.434 nan 8.230 nan 0.000 0.442 2133 A N 0.193 123.018 122.820 0.009 0.000 1.854 2133 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 2133 A C 1.564 179.152 177.584 0.006 0.000 1.192 2133 A CA 0.721 52.758 52.037 -0.000 0.000 0.611 2133 A CB -0.313 18.684 19.000 -0.004 0.000 0.832 2133 A HN 0.276 nan 8.150 nan 0.000 0.442 2134 R N 0.828 121.336 120.500 0.014 0.000 3.641 2134 R HA 0.136 4.476 4.340 -0.000 0.000 0.189 2134 R C 0.535 176.844 176.300 0.016 0.000 1.706 2134 R CA 0.519 56.627 56.100 0.014 0.000 1.311 2134 R CB -0.223 30.087 30.300 0.017 0.000 1.330 2134 R HN 0.700 nan 8.270 nan 0.000 0.727 2135 S N -1.940 113.768 115.700 0.013 0.000 3.050 2135 S HA 0.129 4.599 4.470 -0.000 0.000 0.261 2135 S C 1.393 175.999 174.600 0.010 0.000 1.057 2135 S CA 0.242 58.450 58.200 0.014 0.000 1.012 2135 S CB 0.544 63.755 63.200 0.019 0.000 0.919 2135 S HN 0.490 nan 8.310 nan 0.000 0.429 2136 G N 1.684 110.487 108.800 0.006 0.000 2.184 2136 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.264 2136 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.264 2136 G C 0.840 175.743 174.900 0.005 0.000 0.975 2136 G CA 0.526 45.628 45.100 0.004 0.000 0.642 2136 G HN 1.621 nan 8.290 nan 0.000 0.536 2137 A N -0.891 121.933 122.820 0.008 0.000 2.288 2137 A HA 0.678 4.998 4.320 -0.000 0.000 0.216 2137 A C 0.875 178.466 177.584 0.011 0.000 1.199 2137 A CA 1.059 53.102 52.037 0.010 0.000 0.891 2137 A CB 0.655 19.662 19.000 0.013 0.000 0.923 2137 A HN 0.991 nan 8.150 nan 0.000 0.500 2138 V N 1.645 121.565 119.914 0.010 0.000 2.364 2138 V HA 0.212 4.332 4.120 -0.000 0.000 0.272 2138 V C -0.070 176.024 176.094 -0.000 0.000 1.036 2138 V CA -0.338 61.967 62.300 0.008 0.000 0.880 2138 V CB 1.183 33.011 31.823 0.009 0.000 0.991 2138 V HN 0.373 nan 8.190 nan 0.000 0.460 2139 D N 2.667 123.067 120.400 -0.000 0.000 2.389 2139 D HA 0.127 4.767 4.640 -0.000 0.000 0.206 2139 D C 0.192 176.485 176.300 -0.012 0.000 1.055 2139 D CA 0.842 54.839 54.000 -0.006 0.000 0.856 2139 D CB 1.907 42.706 40.800 -0.002 0.000 0.957 2139 D HN 0.414 nan 8.370 nan 0.000 0.509 2140 V N 1.267 121.174 119.914 -0.011 0.000 2.653 2140 V HA 0.341 4.461 4.120 -0.000 0.000 0.298 2140 V C -1.728 174.355 176.094 -0.018 0.000 1.097 2140 V CA -0.700 61.589 62.300 -0.018 0.000 0.908 2140 V CB 1.640 33.459 31.823 -0.007 0.000 1.024 2140 V HN -0.136 nan 8.190 nan 0.000 0.435 2141 I N 6.545 127.082 120.570 -0.055 0.000 2.412 2141 I HA 0.625 4.795 4.170 -0.000 0.000 0.296 2141 I C -0.558 175.491 176.117 -0.115 0.000 0.987 2141 I CA -1.005 60.249 61.300 -0.077 0.000 1.180 2141 I CB 2.054 39.983 38.000 -0.119 0.000 1.340 2141 I HN 0.378 nan 8.210 nan 0.000 0.455 2142 V N 6.745 126.606 119.914 -0.088 0.000 2.540 2142 V HA 0.410 4.530 4.120 -0.000 0.000 0.302 2142 V C -0.360 175.574 176.094 -0.267 0.000 1.035 2142 V CA -0.612 61.615 62.300 -0.121 0.000 0.873 2142 V CB 2.414 34.264 31.823 0.044 0.000 0.992 2142 V HN 0.417 nan 8.190 nan 0.000 0.428 2143 V N 3.099 122.861 119.914 -0.254 0.000 2.350 2143 V HA 0.512 4.632 4.120 -0.000 0.000 0.285 2143 V C -0.736 175.283 176.094 -0.125 0.000 1.014 2143 V CA -0.549 61.624 62.300 -0.211 0.000 0.831 2143 V CB 1.634 33.404 31.823 -0.088 0.000 1.000 2143 V HN 0.804 nan 8.190 nan 0.000 0.433 2144 D N 3.624 123.872 120.400 -0.253 0.000 2.461 2144 D HA 0.614 5.254 4.640 -0.000 0.000 0.240 2144 D C -0.311 175.933 176.300 -0.093 0.000 1.094 2144 D CA 0.276 54.191 54.000 -0.142 0.000 0.868 2144 D CB 1.774 42.465 40.800 -0.182 0.000 1.062 2144 D HN 0.768 nan 8.370 nan 0.000 0.530 2145 S N 1.020 116.708 115.700 -0.020 0.000 2.607 2145 S HA 0.311 4.781 4.470 -0.000 0.000 0.273 2145 S C 1.031 175.654 174.600 0.039 0.000 1.148 2145 S CA -0.663 57.552 58.200 0.026 0.000 0.833 2145 S CB 1.259 64.471 63.200 0.021 0.000 1.130 2145 S HN -0.015 nan 8.310 nan 0.000 0.470 2146 V N 1.819 121.760 119.914 0.046 0.000 2.233 2146 V HA -0.269 3.851 4.120 -0.000 0.000 0.252 2146 V C 3.118 179.192 176.094 -0.033 0.000 1.063 2146 V CA 2.987 65.267 62.300 -0.032 0.000 1.032 2146 V CB -1.683 30.077 31.823 -0.105 0.000 0.645 2146 V HN 1.071 nan 8.190 nan 0.000 0.446 2147 A N -0.435 122.373 122.820 -0.019 0.000 1.978 2147 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 2147 A C 2.270 179.855 177.584 0.003 0.000 1.170 2147 A CA 2.150 54.176 52.037 -0.017 0.000 0.636 2147 A CB -0.666 18.324 19.000 -0.017 0.000 0.810 2147 A HN 0.681 nan 8.150 nan 0.000 0.448 2148 A N -1.141 121.691 122.820 0.019 0.000 2.169 2148 A HA 0.293 4.613 4.320 -0.000 0.000 0.212 2148 A C 1.005 178.671 177.584 0.136 0.000 1.153 2148 A CA 0.258 52.333 52.037 0.062 0.000 0.756 2148 A CB -0.199 18.813 19.000 0.020 0.000 0.813 2148 A HN 0.299 nan 8.150 nan 0.000 0.471 2149 L N 2.778 124.038 121.223 0.061 0.000 3.168 2149 L HA 0.030 4.370 4.340 -0.000 0.000 0.253 2149 L C 0.640 177.485 176.870 -0.042 0.000 1.384 2149 L CA 0.725 55.576 54.840 0.019 0.000 1.131 2149 L CB -2.292 39.764 42.059 -0.006 0.000 1.552 2149 L HN 0.411 nan 8.230 nan 0.000 0.431 2150 T N -0.040 114.505 114.554 -0.015 0.000 2.834 2150 T HA 0.274 4.624 4.350 -0.000 0.000 0.298 2150 T C -2.053 172.530 174.700 -0.196 0.000 0.966 2150 T CA -1.375 60.688 62.100 -0.062 0.000 1.141 2150 T CB 0.648 69.537 68.868 0.036 0.000 0.905 2150 T HN 0.183 nan 8.240 nan 0.000 0.535 2151 P HA 0.129 nan 4.420 nan 0.000 0.273 2151 P C 0.831 178.027 177.300 -0.174 0.000 1.250 2151 P CA -0.636 62.373 63.100 -0.151 0.000 0.793 2151 P CB 1.041 32.685 31.700 -0.092 0.000 1.011 2152 K N 0.663 120.978 120.400 -0.143 0.000 2.057 2152 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 2152 K C 1.988 178.531 176.600 -0.095 0.000 1.050 2152 K CA 1.600 57.812 56.287 -0.125 0.000 0.935 2152 K CB -0.747 31.711 32.500 -0.071 0.000 0.715 2152 K HN 0.455 nan 8.250 nan 0.000 0.439 2153 A N 1.333 124.110 122.820 -0.071 0.000 1.927 2153 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 2153 A C 1.970 179.519 177.584 -0.059 0.000 1.185 2153 A CA 2.073 54.079 52.037 -0.052 0.000 0.639 2153 A CB -0.504 18.471 19.000 -0.041 0.000 0.820 2153 A HN 0.534 nan 8.150 nan 0.000 0.451 2154 E N -0.902 119.253 120.200 -0.076 0.000 2.230 2154 E HA 0.069 4.419 4.350 -0.000 0.000 0.192 2154 E C 0.558 177.103 176.600 -0.092 0.000 0.987 2154 E CA -0.245 56.113 56.400 -0.070 0.000 0.841 2154 E CB -0.075 29.589 29.700 -0.060 0.000 0.783 2154 E HN 0.682 nan 8.360 nan 0.000 0.481 2166 L N -0.286 120.922 121.223 -0.025 0.000 2.253 2166 L HA 0.656 4.996 4.340 -0.000 0.000 0.205 2166 L C 2.157 179.011 176.870 -0.026 0.000 1.078 2166 L CA 1.101 55.926 54.840 -0.024 0.000 0.805 2166 L CB -0.296 41.751 42.059 -0.021 0.000 0.963 2166 L HN 0.319 nan 8.230 nan 0.000 0.459 2167 A N 0.988 123.790 122.820 -0.029 0.000 2.900 2167 A HA 0.533 4.853 4.320 -0.000 0.000 0.246 2167 A C 1.737 179.299 177.584 -0.037 0.000 1.725 2167 A CA 0.498 52.515 52.037 -0.032 0.000 1.400 2167 A CB -0.838 18.140 19.000 -0.036 0.000 0.973 2167 A HN 0.473 nan 8.150 nan 0.000 0.635 2168 A N 0.099 122.897 122.820 -0.035 0.000 2.235 2168 A HA 0.004 4.324 4.320 -0.000 0.000 0.208 2168 A C 2.033 179.597 177.584 -0.035 0.000 1.172 2168 A CA 0.646 52.658 52.037 -0.042 0.000 0.786 2168 A CB -0.276 18.700 19.000 -0.040 0.000 0.804 2168 A HN 0.692 nan 8.150 nan 0.000 0.479 2169 R N -0.869 119.616 120.500 -0.026 0.000 2.092 2169 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 2169 R C 2.211 178.503 176.300 -0.013 0.000 1.119 2169 R CA 1.504 57.595 56.100 -0.015 0.000 0.970 2169 R CB -0.451 29.842 30.300 -0.013 0.000 0.864 2169 R HN 0.655 nan 8.270 nan 0.000 0.440 2170 M N 0.148 119.735 119.600 -0.023 0.000 2.080 2170 M HA -0.233 4.247 4.480 -0.000 0.000 0.260 2170 M C 1.923 178.212 176.300 -0.020 0.000 1.068 2170 M CA 1.690 56.977 55.300 -0.022 0.000 1.109 2170 M CB -0.017 32.560 32.600 -0.038 0.000 1.342 2170 M HN 0.176 nan 8.290 nan 0.000 0.405 2171 M N 0.190 119.766 119.600 -0.041 0.000 2.149 2171 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 2171 M C 2.128 178.420 176.300 -0.013 0.000 1.064 2171 M CA 1.718 56.982 55.300 -0.060 0.000 1.102 2171 M CB -1.095 31.436 32.600 -0.115 0.000 1.369 2171 M HN 0.343 nan 8.290 nan 0.000 0.408 2172 S N -0.260 115.441 115.700 0.002 0.000 2.428 2172 S HA -0.133 4.337 4.470 -0.000 0.000 0.230 2172 S C 1.556 176.194 174.600 0.063 0.000 1.014 2172 S CA 0.741 58.962 58.200 0.036 0.000 0.957 2172 S CB -0.093 63.120 63.200 0.022 0.000 0.784 2172 S HN 0.412 nan 8.310 nan 0.000 0.499 2173 Q N 2.121 121.947 119.800 0.043 0.000 1.596 2173 Q HA 0.161 4.501 4.340 -0.000 0.000 0.476 2173 Q C 1.993 178.032 176.000 0.064 0.000 0.959 2173 Q CA 1.608 57.439 55.803 0.047 0.000 0.901 2173 Q CB -0.770 27.986 28.738 0.029 0.000 0.932 2173 Q HN 0.406 nan 8.270 nan 0.000 0.389 2174 A N -0.028 122.825 122.820 0.056 0.000 2.277 2174 A HA -0.107 4.213 4.320 -0.000 0.000 0.208 2174 A C 1.694 179.324 177.584 0.077 0.000 1.202 2174 A CA 1.130 53.203 52.037 0.060 0.000 0.762 2174 A CB -0.804 18.229 19.000 0.056 0.000 0.770 2174 A HN 0.604 nan 8.150 nan 0.000 0.487 2175 M N 0.300 119.962 119.600 0.103 0.000 2.066 2175 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 2175 M C 2.108 178.461 176.300 0.088 0.000 1.074 2175 M CA 2.180 57.569 55.300 0.147 0.000 1.114 2175 M CB -0.471 32.257 32.600 0.214 0.000 1.306 2175 M HN 0.441 nan 8.290 nan 0.000 0.411 2176 R N 0.117 120.672 120.500 0.092 0.000 2.096 2176 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 2176 R C 2.277 178.511 176.300 -0.110 0.000 1.127 2176 R CA 1.671 57.722 56.100 -0.082 0.000 0.968 2176 R CB -0.496 29.859 30.300 0.092 0.000 0.861 2176 R HN 0.501 nan 8.270 nan 0.000 0.440 2177 K N 0.580 120.966 120.400 -0.024 0.000 2.097 2177 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 2177 K C 2.206 178.790 176.600 -0.026 0.000 1.050 2177 K CA 0.914 57.189 56.287 -0.019 0.000 0.938 2177 K CB -0.124 32.383 32.500 0.011 0.000 0.718 2177 K HN 0.212 nan 8.250 nan 0.000 0.442 2178 L N 0.610 121.826 121.223 -0.011 0.000 2.141 2178 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 2178 L C 2.270 179.117 176.870 -0.038 0.000 1.094 2178 L CA 1.186 56.023 54.840 -0.004 0.000 0.763 2178 L CB -0.273 41.808 42.059 0.036 0.000 0.908 2178 L HN 0.169 nan 8.230 nan 0.000 0.437 2179 A N -0.073 122.691 122.820 -0.093 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 -0.106 0.000 1.197 2179 A CA 2.069 54.015 52.037 -0.151 0.000 0.637 2179 A CB -1.578 17.187 19.000 -0.392 0.000 0.827 2179 A HN 0.511 nan 8.150 nan 0.000 0.450 2180 G N -0.545 108.196 108.800 -0.100 0.000 2.414 2180 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.215 2180 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.215 2180 G C 1.329 176.206 174.900 -0.038 0.000 1.188 2180 G CA 0.919 45.981 45.100 -0.063 0.000 0.783 2180 G HN 0.721 nan 8.290 nan 0.000 0.537 2181 N N 0.200 118.882 118.700 -0.030 0.000 2.417 2181 N HA -0.066 4.674 4.740 -0.000 0.000 0.187 2181 N C 1.941 177.440 175.510 -0.017 0.000 1.027 2181 N CA 0.396 53.436 53.050 -0.017 0.000 0.891 2181 N CB -0.127 38.355 38.487 -0.008 0.000 0.956 2181 N HN 0.320 nan 8.380 nan 0.000 0.442 2182 L N 0.150 121.358 121.223 -0.024 0.000 2.249 2182 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 2182 L C 2.009 178.868 176.870 -0.019 0.000 1.090 2182 L CA 0.673 55.498 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 -0.040 nan 8.230 nan 0.000 0.453 2183 K N 0.395 120.783 120.400 -0.019 0.000 2.209 2183 K HA -0.146 4.173 4.320 -0.000 0.000 0.204 2183 K C 1.512 178.106 176.600 -0.009 0.000 1.048 2183 K CA 1.092 57.371 56.287 -0.013 0.000 0.940 2183 K CB 0.022 32.515 32.500 -0.013 0.000 0.729 2183 K HN 0.312 nan 8.250 nan 0.000 0.451 2184 Q N -0.740 119.054 119.800 -0.010 0.000 2.228 2184 Q HA 0.146 4.486 4.340 -0.000 0.000 0.211 2184 Q C 0.185 176.182 176.000 -0.005 0.000 0.890 2184 Q CA 0.059 55.858 55.803 -0.006 0.000 0.953 2184 Q CB 0.861 29.596 28.738 -0.006 0.000 1.053 2184 Q HN 0.089 nan 8.270 nan 0.000 0.471 2185 S N -0.854 114.842 115.700 -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 -0.006 0.000 1.295 2185 S CB 0.525 63.721 63.200 -0.006 0.000 1.156 2185 S HN 0.302 nan 8.310 nan 0.000 0.627 2186 N N 1.557 120.251 118.700 -0.009 0.000 2.857 2186 N HA -0.130 4.610 4.740 -0.000 0.000 0.242 2186 N C -0.594 174.907 175.510 -0.015 0.000 0.983 2186 N CA 1.411 54.455 53.050 -0.010 0.000 0.934 2186 N CB -1.830 36.652 38.487 -0.007 0.000 1.115 2186 N HN 0.427 nan 8.380 nan 0.000 0.593 2187 T N 1.366 115.909 114.554 -0.017 0.000 2.734 2187 T HA 0.095 4.445 4.350 -0.000 0.000 0.269 2187 T C 0.580 175.259 174.700 -0.037 0.000 0.964 2187 T CA -0.223 61.862 62.100 -0.024 0.000 1.226 2187 T CB -0.056 68.797 68.868 -0.024 0.000 0.910 2187 T HN 0.221 nan 8.240 nan 0.000 0.534 2188 L N 6.050 127.250 121.223 -0.038 0.000 2.315 2188 L HA 0.529 4.869 4.340 -0.000 0.000 0.283 2188 L C -0.542 176.280 176.870 -0.080 0.000 1.089 2188 L CA -0.196 54.614 54.840 -0.049 0.000 0.833 2188 L CB 0.270 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 6.346 127.500 121.223 -0.114 0.000 2.313 2189 L HA 0.600 4.940 4.340 -0.000 0.000 0.283 2189 L C -0.860 175.870 176.870 -0.233 0.000 1.013 2189 L CA -0.308 54.406 54.840 -0.210 0.000 0.816 2189 L CB 1.182 43.071 42.059 -0.283 0.000 1.236 2189 L HN 0.653 nan 8.230 nan 0.000 0.419 2190 I N 4.637 125.051 120.570 -0.260 0.000 2.378 2190 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 2190 I C -0.830 175.128 176.117 -0.266 0.000 0.992 2190 I CA -0.358 60.831 61.300 -0.185 0.000 1.154 2190 I CB 1.417 39.369 38.000 -0.080 0.000 1.315 2190 I HN 0.414 nan 8.210 nan 0.000 0.448 2191 F N 6.227 126.157 119.950 -0.033 0.000 2.440 2191 F HA 0.607 5.134 4.527 -0.000 0.000 0.328 2191 F C 0.202 175.987 175.800 -0.024 0.000 1.070 2191 F CA -0.697 57.283 58.000 -0.034 0.000 1.011 2191 F CB 1.366 40.349 39.000 -0.028 0.000 1.226 2191 F HN 0.119 nan 8.300 nan 0.000 0.491 2192 I N 2.097 122.806 120.570 0.232 0.000 2.499 2192 I HA 0.358 4.528 4.170 -0.000 0.000 0.288 2192 I C -0.655 175.527 176.117 0.109 0.000 1.048 2192 I CA -0.677 60.704 61.300 0.134 0.000 1.062 2192 I CB 1.863 39.917 38.000 0.090 0.000 1.238 2192 I HN 0.469 nan 8.210 nan 0.000 0.426 2193 N N 3.900 122.672 118.700 0.120 0.000 2.890 2193 N HA 0.589 5.329 4.740 -0.000 0.000 0.317 2193 N C -1.280 174.272 175.510 0.071 0.000 1.355 2193 N CA -0.488 52.615 53.050 0.087 0.000 0.803 2193 N CB 1.742 40.296 38.487 0.111 0.000 1.465 2193 N HN 0.586 nan 8.380 nan 0.000 0.591 2212 G N -0.833 107.910 108.800 -0.094 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 0.581 175.441 174.900 -0.066 0.000 1.150 2212 G CA -0.276 44.781 45.100 -0.072 0.000 0.923 2212 G HN 0.521 nan 8.290 nan 0.000 0.485 2213 N N 0.793 119.473 118.700 -0.032 0.000 2.272 2213 N HA -0.144 4.596 4.740 -0.000 0.000 0.185 2213 N C 2.426 177.945 175.510 0.014 0.000 1.014 2213 N CA 1.512 54.557 53.050 -0.008 0.000 0.870 2213 N CB -0.066 38.449 38.487 0.047 0.000 0.975 2213 N HN 0.538 nan 8.380 nan 0.000 0.433 2214 A N 0.524 123.353 122.820 0.016 0.000 1.877 2214 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 2214 A C 2.155 179.746 177.584 0.011 0.000 1.186 2214 A CA 1.219 53.276 52.037 0.034 0.000 0.620 2214 A CB -0.888 18.132 19.000 0.034 0.000 0.822 2214 A HN 0.340 nan 8.150 nan 0.000 0.443 2215 L N 0.248 121.443 121.223 -0.046 0.000 2.043 2215 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 2215 L C 2.235 179.054 176.870 -0.085 0.000 1.075 2215 L CA 2.695 57.502 54.840 -0.055 0.000 0.752 2215 L CB -0.773 41.185 42.059 -0.169 0.000 0.891 2215 L HN 0.494 nan 8.230 nan 0.000 0.432 2216 K N -1.774 118.501 120.400 -0.208 0.000 2.189 2216 K HA -0.254 4.066 4.320 -0.000 0.000 0.207 2216 K C 1.722 178.048 176.600 -0.457 0.000 1.046 2216 K CA 2.174 58.218 56.287 -0.404 0.000 0.928 2216 K CB -0.183 31.933 32.500 -0.641 0.000 0.720 2216 K HN 0.384 nan 8.250 nan 0.000 0.458 2217 F N -1.758 118.167 119.950 -0.043 0.000 2.399 2217 F HA 0.085 4.612 4.527 -0.000 0.000 0.282 2217 F C 1.781 177.584 175.800 0.005 0.000 1.027 2217 F CA 0.231 58.194 58.000 -0.063 0.000 1.333 2217 F CB -0.630 38.248 39.000 -0.204 0.000 1.132 2217 F HN -0.072 nan 8.300 nan 0.000 0.590 2218 Y N 0.833 121.258 120.300 0.207 0.000 2.483 2218 Y HA 0.090 4.640 4.550 -0.000 0.000 0.291 2218 Y C 1.509 177.460 175.900 0.086 0.000 1.143 2218 Y CA -0.287 57.892 58.100 0.131 0.000 1.289 2218 Y CB -0.404 38.125 38.460 0.116 0.000 0.983 2218 Y HN -0.045 nan 8.280 nan 0.000 0.556 2219 A N -0.077 122.859 122.820 0.194 0.000 2.498 2219 A HA 0.105 4.425 4.320 -0.000 0.000 0.239 2219 A C 1.100 178.722 177.584 0.062 0.000 1.068 2219 A CA 0.301 52.392 52.037 0.090 0.000 0.766 2219 A CB 0.307 19.301 19.000 -0.010 0.000 1.003 2219 A HN 0.310 nan 8.150 nan 0.000 0.497 2220 S N 0.298 116.019 115.700 0.036 0.000 2.483 2220 S HA 0.208 4.678 4.470 -0.000 0.000 0.221 2220 S C 0.274 174.856 174.600 -0.030 0.000 1.030 2220 S CA 0.350 58.563 58.200 0.022 0.000 0.925 2220 S CB 0.270 63.486 63.200 0.026 0.000 0.795 2220 S HN 0.541 nan 8.310 nan 0.000 0.511 2221 V N 2.462 122.339 119.914 -0.061 0.000 2.668 2221 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 2221 V C -1.054 174.941 176.094 -0.164 0.000 1.071 2221 V CA -0.732 61.501 62.300 -0.111 0.000 0.894 2221 V CB 2.070 33.842 31.823 -0.085 0.000 1.008 2221 V HN 0.155 nan 8.190 nan 0.000 0.425 2222 R N 4.463 124.809 120.500 -0.255 0.000 2.439 2222 R HA 0.629 4.969 4.340 -0.000 0.000 0.310 2222 R C -1.639 174.435 176.300 -0.376 0.000 0.955 2222 R CA -0.884 55.000 56.100 -0.360 0.000 0.853 2222 R CB 2.097 32.103 30.300 -0.489 0.000 1.171 2222 R HN 0.349 nan 8.270 nan 0.000 0.449 2223 L N 2.109 123.111 121.223 -0.370 0.000 2.309 2223 L HA 0.311 4.651 4.340 -0.000 0.000 0.282 2223 L C -0.253 176.438 176.870 -0.299 0.000 1.036 2223 L CA -0.280 54.405 54.840 -0.258 0.000 0.806 2223 L CB 1.424 43.406 42.059 -0.129 0.000 1.220 2223 L HN 0.459 nan 8.230 nan 0.000 0.429 2224 D N 3.748 124.117 120.400 -0.053 0.000 2.461 2224 D HA 0.286 4.926 4.640 -0.000 0.000 0.240 2224 D C -0.779 175.637 176.300 0.194 0.000 1.094 2224 D CA -0.186 53.962 54.000 0.247 0.000 0.868 2224 D CB 0.752 41.761 40.800 0.348 0.000 1.062 2224 D HN 0.400 nan 8.370 nan 0.000 0.530 2225 I N 3.398 124.089 120.570 0.202 0.000 2.385 2225 I HA 0.468 4.638 4.170 -0.000 0.000 0.294 2225 I C -0.579 175.600 176.117 0.104 0.000 0.988 2225 I CA -0.541 60.844 61.300 0.141 0.000 1.265 2225 I CB 0.398 38.475 38.000 0.128 0.000 1.388 2225 I HN 0.220 nan 8.210 nan 0.000 0.480 2226 R N 6.410 126.949 120.500 0.065 0.000 2.725 2226 R HA 0.479 4.819 4.340 -0.000 0.000 0.277 2226 R C -1.102 175.199 176.300 0.001 0.000 0.987 2226 R CA -1.036 55.081 56.100 0.028 0.000 0.901 2226 R CB 1.978 32.295 30.300 0.028 0.000 1.207 2226 R HN 0.564 nan 8.270 nan 0.000 0.463 2227 R N 2.541 123.035 120.500 -0.011 0.000 2.312 2227 R HA 0.252 4.591 4.340 -0.000 0.000 0.311 2227 R C 0.562 176.855 176.300 -0.013 0.000 1.004 2227 R CA -0.165 55.920 56.100 -0.025 0.000 0.902 2227 R CB 0.779 31.065 30.300 -0.024 0.000 1.073 2227 R HN 0.852 nan 8.270 nan 0.000 0.457 2228 I N 0.983 121.545 120.570 -0.014 0.000 3.565 2228 I HA 0.456 4.626 4.170 -0.000 0.000 0.287 2228 I C 0.763 176.880 176.117 0.000 0.000 1.193 2228 I CA 0.277 61.576 61.300 -0.002 0.000 1.402 2228 I CB 0.596 38.599 38.000 0.006 0.000 1.284 2228 I HN 0.622 nan 8.210 nan 0.000 0.454 2229 G N 0.932 109.731 108.800 -0.003 0.000 2.851 2229 G HA2 0.792 4.752 3.960 -0.000 0.000 0.208 2229 G HA3 0.792 4.752 3.960 -0.000 0.000 0.208 2229 G C -0.548 174.355 174.900 0.004 0.000 1.894 2229 G CA -0.008 45.092 45.100 0.001 0.000 0.732 2229 G HN 0.865 nan 8.290 nan 0.000 0.802 2230 A N -2.249 120.572 122.820 0.001 0.000 2.613 2230 A HA 0.466 4.786 4.320 -0.000 0.000 0.303 2230 A C -1.793 175.783 177.584 -0.015 0.000 0.915 2230 A CA -0.272 51.765 52.037 0.001 0.000 0.654 2230 A CB 0.181 19.180 19.000 -0.003 0.000 1.280 2230 A HN 1.385 nan 8.150 nan 0.000 0.407 2231 V N 2.022 121.918 119.914 -0.031 0.000 2.444 2231 V HA 0.541 4.660 4.120 -0.000 0.000 0.294 2231 V C -0.052 176.000 176.094 -0.070 0.000 1.022 2231 V CA -0.529 61.746 62.300 -0.040 0.000 0.850 2231 V CB 1.716 33.523 31.823 -0.025 0.000 0.992 2231 V HN 0.771 nan 8.190 nan 0.000 0.426 2232 K N 3.337 123.703 120.400 -0.056 0.000 2.235 2232 K HA 0.475 4.795 4.320 -0.000 0.000 0.266 2232 K C -0.481 176.085 176.600 -0.056 0.000 0.980 2232 K CA -0.571 55.678 56.287 -0.063 0.000 0.849 2232 K CB 1.744 34.215 32.500 -0.050 0.000 1.098 2232 K HN 0.589 nan 8.250 nan 0.000 0.445 2233 E N 2.417 122.579 120.200 -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 -0.040 56.328 56.400 -0.053 0.000 0.814 2233 E CB 1.222 30.889 29.700 -0.055 0.000 1.098 2233 E HN 0.957 nan 8.360 nan 0.000 0.407 2234 G N 4.227 113.003 108.800 -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 0.436 175.315 174.900 -0.035 0.000 1.382 2234 G CA 0.457 45.536 45.100 -0.035 0.000 0.994 2234 G HN 0.500 nan 8.290 nan 0.000 0.800 2235 E N 1.623 121.800 120.200 -0.037 0.000 2.934 2235 E HA 0.343 4.693 4.350 -0.000 0.000 0.343 2235 E C -1.300 175.273 176.600 -0.044 0.000 1.148 2235 E CA -0.191 56.187 56.400 -0.037 0.000 0.803 2235 E CB -0.359 29.324 29.700 -0.028 0.000 1.541 2235 E HN 0.570 nan 8.360 nan 0.000 0.380 2236 N N 1.511 120.175 118.700 -0.060 0.000 2.777 2236 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 2236 N C -0.821 174.617 175.510 -0.120 0.000 1.113 2236 N CA -0.271 52.732 53.050 -0.078 0.000 0.996 2236 N CB 1.875 40.319 38.487 -0.072 0.000 1.584 2236 N HN -0.082 nan 8.380 nan 0.000 0.573 2237 V N 3.367 123.199 119.914 -0.137 0.000 2.415 2237 V HA 0.004 4.124 4.120 -0.000 0.000 0.252 2237 V C 1.043 176.882 176.094 -0.424 0.000 1.043 2237 V CA 0.375 62.553 62.300 -0.203 0.000 1.149 2237 V CB 0.474 32.215 31.823 -0.136 0.000 1.143 2237 V HN 0.532 nan 8.190 nan 0.000 0.478 2238 V N 4.023 123.685 119.914 -0.419 0.000 3.380 2238 V HA 0.631 4.751 4.120 -0.000 0.000 0.307 2238 V C 0.846 176.609 176.094 -0.552 0.000 1.434 2238 V CA 0.917 62.862 62.300 -0.592 0.000 1.075 2238 V CB 0.387 32.049 31.823 -0.267 0.000 0.954 2238 V HN 0.868 nan 8.190 nan 0.000 0.444 2239 G N -0.867 107.728 108.800 -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 -1.343 173.634 174.900 0.128 0.000 1.451 2239 G CA -0.314 44.808 45.100 0.037 0.000 0.869 2239 G HN 0.027 nan 8.290 nan 0.000 0.516 2240 S N 0.077 115.887 115.700 0.184 0.000 2.456 2240 S HA 0.424 4.894 4.470 -0.000 0.000 0.316 2240 S C -0.355 174.235 174.600 -0.016 0.000 1.089 2240 S CA -0.506 57.744 58.200 0.084 0.000 1.101 2240 S CB 1.748 64.993 63.200 0.075 0.000 0.995 2240 S HN 0.651 nan 8.310 nan 0.000 0.468 2241 E N 2.962 123.144 120.200 -0.030 0.000 2.129 2241 E HA 0.282 4.632 4.350 -0.000 0.000 0.283 2241 E C 0.114 176.647 176.600 -0.112 0.000 1.080 2241 E CA -0.199 56.160 56.400 -0.070 0.000 0.867 2241 E CB 0.332 30.015 29.700 -0.028 0.000 1.056 2241 E HN 0.626 nan 8.360 nan 0.000 0.404 2242 T N 2.160 116.568 114.554 -0.243 0.000 2.948 2242 T HA 0.576 4.926 4.350 -0.000 0.000 0.285 2242 T C -0.243 174.363 174.700 -0.157 0.000 1.019 2242 T CA -1.133 60.812 62.100 -0.258 0.000 1.013 2242 T CB 1.449 70.049 68.868 -0.447 0.000 1.117 2242 T HN 0.445 nan 8.240 nan 0.000 0.533 2243 R N 0.621 121.108 120.500 -0.022 0.000 2.515 2243 R HA 0.587 4.927 4.340 -0.000 0.000 0.291 2243 R C -2.226 174.166 176.300 0.154 0.000 1.046 2243 R CA -0.637 55.522 56.100 0.100 0.000 0.914 2243 R CB 1.725 32.069 30.300 0.073 0.000 1.191 2243 R HN 0.565 nan 8.270 nan 0.000 0.435 2244 V N 4.759 124.813 119.914 0.233 0.000 2.417 2244 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 2244 V C -0.329 175.831 176.094 0.110 0.000 1.024 2244 V CA -0.629 61.781 62.300 0.184 0.000 0.861 2244 V CB 1.732 33.689 31.823 0.225 0.000 0.985 2244 V HN 0.657 nan 8.190 nan 0.000 0.436 2245 K N 3.750 124.199 120.400 0.082 0.000 2.358 2245 K HA 0.571 4.891 4.320 -0.000 0.000 0.260 2245 K C -1.062 175.530 176.600 -0.015 0.000 0.956 2245 K CA -0.592 55.728 56.287 0.054 0.000 0.834 2245 K CB 1.879 34.431 32.500 0.087 0.000 1.102 2245 K HN 0.486 nan 8.250 nan 0.000 0.431 2246 V N 6.198 126.080 119.914 -0.053 0.000 2.338 2246 V HA 0.005 4.125 4.120 -0.000 0.000 0.255 2246 V C 1.184 177.129 176.094 -0.248 0.000 1.082 2246 V CA -0.230 61.989 62.300 -0.135 0.000 0.951 2246 V CB 0.361 32.117 31.823 -0.110 0.000 1.102 2246 V HN 0.704 nan 8.190 nan 0.000 0.489 2247 V N 1.524 121.264 119.914 -0.291 0.000 3.052 2247 V HA 0.239 4.359 4.120 -0.000 0.000 0.254 2247 V C 0.837 176.583 176.094 -0.580 0.000 1.100 2247 V CA 0.622 62.671 62.300 -0.419 0.000 1.112 2247 V CB -0.368 31.359 31.823 -0.161 0.000 0.738 2247 V HN 0.661 nan 8.190 nan 0.000 0.469 2248 K N 1.591 121.705 120.400 -0.477 0.000 2.426 2248 K HA 0.483 4.803 4.320 -0.000 0.000 0.254 2248 K C -1.454 174.987 176.600 -0.264 0.000 0.936 2248 K CA -0.482 55.545 56.287 -0.434 0.000 0.801 2248 K CB 1.358 33.449 32.500 -0.683 0.000 1.139 2248 K HN 0.255 nan 8.250 nan 0.000 0.424 2249 N N 3.816 122.422 118.700 -0.157 0.000 2.653 2249 N HA 0.156 4.896 4.740 -0.000 0.000 0.261 2249 N C -1.389 174.119 175.510 -0.003 0.000 1.216 2249 N CA -0.371 52.632 53.050 -0.079 0.000 0.784 2249 N CB 0.994 39.435 38.487 -0.076 0.000 1.327 2249 N HN 0.520 nan 8.380 nan 0.000 0.539 2250 K N 2.926 123.331 120.400 0.009 0.000 2.994 2250 K HA 0.274 4.594 4.320 -0.000 0.000 0.231 2250 K C 0.276 176.896 176.600 0.033 0.000 1.174 2250 K CA -0.030 56.283 56.287 0.044 0.000 1.221 2250 K CB 0.390 32.929 32.500 0.066 0.000 1.166 2250 K HN 0.427 nan 8.250 nan 0.000 0.453 2251 I N -0.897 119.684 120.570 0.019 0.000 4.607 2251 I HA 0.170 4.340 4.170 -0.000 0.000 0.324 2251 I C 0.197 176.325 176.117 0.019 0.000 1.279 2251 I CA 0.111 61.420 61.300 0.015 0.000 1.286 2251 I CB 1.036 39.035 38.000 -0.001 0.000 1.265 2251 I HN 0.145 nan 8.210 nan 0.000 0.446 2252 A N -0.087 122.745 122.820 0.021 0.000 5.450 2252 A HA 0.830 5.150 4.320 -0.000 0.000 0.198 2252 A C -0.937 176.673 177.584 0.043 0.000 0.883 2252 A CA 0.008 52.062 52.037 0.029 0.000 0.784 2252 A CB -0.569 18.441 19.000 0.016 0.000 2.043 2252 A HN 0.095 nan 8.150 nan 0.000 0.994 2253 A N 1.457 124.304 122.820 0.045 0.000 2.451 2253 A HA 0.614 4.934 4.320 -0.000 0.000 0.266 2253 A C -2.518 175.111 177.584 0.075 0.000 1.119 2253 A CA -0.899 51.181 52.037 0.072 0.000 0.786 2253 A CB -0.722 18.316 19.000 0.064 0.000 1.061 2253 A HN 0.352 nan 8.150 nan 0.000 0.503 2254 P HA 0.649 nan 4.420 nan 0.000 0.285 2254 P C -0.050 177.400 177.300 0.250 0.000 1.269 2254 P CA -0.439 62.703 63.100 0.069 0.000 0.844 2254 P CB 0.355 32.090 31.700 0.059 0.000 1.094 2255 F N -3.189 116.789 119.950 0.046 0.000 2.397 2255 F HA -0.206 4.321 4.527 -0.000 0.000 0.438 2255 F C 0.673 176.493 175.800 0.033 0.000 0.555 2255 F CA 0.720 58.748 58.000 0.047 0.000 1.561 2255 F CB -1.620 37.408 39.000 0.046 0.000 2.188 2255 F HN 0.226 nan 8.300 nan 0.000 0.267 2256 K N 2.103 122.587 120.400 0.141 0.000 2.258 2256 K HA 0.412 4.732 4.320 -0.000 0.000 0.264 2256 K C 0.384 177.020 176.600 0.060 0.000 1.007 2256 K CA -0.043 56.298 56.287 0.091 0.000 0.941 2256 K CB 0.846 33.382 32.500 0.060 0.000 0.966 2256 K HN 0.430 nan 8.250 nan 0.000 0.480 2257 Q N -0.213 119.624 119.800 0.061 0.000 2.484 2257 Q HA 0.768 5.108 4.340 -0.000 0.000 0.285 2257 Q C -1.723 174.309 176.000 0.054 0.000 1.097 2257 Q CA -1.297 54.542 55.803 0.060 0.000 0.802 2257 Q CB 2.204 30.991 28.738 0.082 0.000 1.444 2257 Q HN 0.538 nan 8.270 nan 0.000 0.429 2258 A N 1.301 124.164 122.820 0.072 0.000 2.465 2258 A HA 0.524 4.844 4.320 -0.000 0.000 0.292 2258 A C -1.512 176.188 177.584 0.193 0.000 1.041 2258 A CA -0.697 51.386 52.037 0.077 0.000 0.718 2258 A CB 1.685 20.678 19.000 -0.011 0.000 1.266 2258 A HN 0.734 nan 8.150 nan 0.000 0.403 2259 E N 1.073 121.399 120.200 0.210 0.000 2.183 2259 E HA 0.762 5.112 4.350 -0.000 0.000 0.271 2259 E C -0.949 175.886 176.600 0.391 0.000 0.919 2259 E CA -0.467 56.097 56.400 0.274 0.000 0.781 2259 E CB 2.033 31.819 29.700 0.143 0.000 1.140 2259 E HN 0.676 nan 8.360 nan 0.000 0.402 2260 F N -1.341 118.627 119.950 0.029 0.000 2.817 2260 F HA 0.406 4.933 4.527 -0.000 0.000 0.317 2260 F C -1.220 174.608 175.800 0.047 0.000 1.168 2260 F CA -1.308 56.711 58.000 0.032 0.000 0.911 2260 F CB 1.190 40.199 39.000 0.015 0.000 1.337 2260 F HN 0.159 nan 8.300 nan 0.000 0.464 2261 Q N 1.640 121.464 119.800 0.040 0.000 2.230 2261 Q HA 0.649 4.989 4.340 -0.000 0.000 0.253 2261 Q C -1.197 174.782 176.000 -0.035 0.000 0.919 2261 Q CA -0.858 54.921 55.803 -0.039 0.000 0.908 2261 Q CB 2.814 31.588 28.738 0.060 0.000 1.245 2261 Q HN 0.569 nan 8.270 nan 0.000 0.437 2262 I N 2.959 123.496 120.570 -0.055 0.000 2.406 2262 I HA 0.279 4.449 4.170 -0.000 0.000 0.290 2262 I C -1.072 175.138 176.117 0.155 0.000 0.999 2262 I CA -0.771 60.560 61.300 0.053 0.000 1.124 2262 I CB 1.275 39.278 38.000 0.005 0.000 1.289 2262 I HN 0.289 nan 8.210 nan 0.000 0.441 2263 L N 6.863 128.206 121.223 0.199 0.000 2.313 2263 L HA 0.389 4.729 4.340 -0.000 0.000 0.283 2263 L C -0.571 176.521 176.870 0.371 0.000 1.013 2263 L CA -0.241 54.755 54.840 0.260 0.000 0.816 2263 L CB 0.916 43.071 42.059 0.160 0.000 1.236 2263 L HN 0.316 nan 8.230 nan 0.000 0.419 2264 Y N 3.618 123.988 120.300 0.117 0.000 2.852 2264 Y HA 0.140 4.690 4.550 -0.000 0.000 0.343 2264 Y C 1.594 177.603 175.900 0.181 0.000 1.280 2264 Y CA 0.594 58.795 58.100 0.168 0.000 1.604 2264 Y CB 0.181 38.693 38.460 0.086 0.000 1.216 2264 Y HN 0.887 nan 8.280 nan 0.000 0.541 2265 G N 2.692 111.744 108.800 0.421 0.000 2.143 2265 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.248 2265 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.248 2265 G C 0.406 175.313 174.900 0.012 0.000 0.991 2265 G CA 0.565 45.773 45.100 0.181 0.000 0.689 2265 G HN 0.733 nan 8.290 nan 0.000 0.522 2266 E N -1.780 118.421 120.200 0.001 0.000 2.614 2266 E HA 0.411 4.761 4.350 -0.000 0.000 0.201 2266 E C 1.352 177.931 176.600 -0.036 0.000 0.889 2266 E CA 0.953 57.339 56.400 -0.024 0.000 1.564 2266 E CB 0.473 30.199 29.700 0.044 0.000 1.623 2266 E HN 1.756 nan 8.360 nan 0.000 0.898 2267 G N 1.480 110.297 108.800 0.028 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 -0.225 174.769 174.900 0.156 0.000 1.314 2267 G CA -0.325 44.822 45.100 0.079 0.000 0.906 2267 G HN 0.174 nan 8.290 nan 0.000 0.563 2268 I N 1.173 121.858 120.570 0.193 0.000 2.919 2268 I HA -0.059 4.111 4.170 -0.000 0.000 0.303 2268 I C 0.720 176.991 176.117 0.257 0.000 1.221 2268 I CA 0.261 61.728 61.300 0.279 0.000 1.444 2268 I CB 0.291 38.469 38.000 0.296 0.000 1.331 2268 I HN 0.469 nan 8.210 nan 0.000 0.572 2269 N N 6.481 125.351 118.700 0.283 0.000 2.868 2269 N HA 0.078 4.818 4.740 -0.000 0.000 0.252 2269 N C 0.613 176.297 175.510 0.290 0.000 1.130 2269 N CA -0.045 53.166 53.050 0.269 0.000 1.026 2269 N CB -0.068 38.550 38.487 0.219 0.000 1.335 2269 N HN 0.495 nan 8.380 nan 0.000 0.516 2270 F N 2.148 122.163 119.950 0.109 0.000 2.063 2270 F HA -0.361 4.166 4.527 -0.000 0.000 0.298 2270 F C 0.979 176.747 175.800 -0.053 0.000 1.105 2270 F CA 1.837 59.810 58.000 -0.044 0.000 1.215 2270 F CB -0.027 38.845 39.000 -0.215 0.000 0.972 2270 F HN 0.503 nan 8.300 nan 0.000 0.483 2271 Y N -0.306 120.225 120.300 0.385 0.000 2.314 2271 Y HA -0.034 4.516 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 0.913 59.171 58.100 0.263 0.000 1.201 2271 Y CB -1.228 37.325 38.460 0.156 0.000 0.999 2271 Y HN 0.121 nan 8.280 nan 0.000 0.541 2272 G N 0.671 109.653 108.800 0.302 0.000 2.446 2272 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 2272 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 2272 G C 1.378 176.371 174.900 0.155 0.000 1.168 2272 G CA 1.305 46.522 45.100 0.194 0.000 0.771 2272 G HN 0.602 nan 8.290 nan 0.000 0.551 2273 E N -0.112 120.170 120.200 0.136 0.000 2.216 2273 E HA 0.088 4.438 4.350 -0.000 0.000 0.192 2273 E C 2.289 178.927 176.600 0.063 0.000 0.988 2273 E CA 0.239 56.691 56.400 0.086 0.000 0.834 2273 E CB -0.256 29.465 29.700 0.036 0.000 0.772 2273 E HN 0.336 nan 8.360 nan 0.000 0.479 2274 L N 1.202 122.472 121.223 0.079 0.000 2.046 2274 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 2274 L C 2.265 179.216 176.870 0.136 0.000 1.077 2274 L CA 1.139 56.031 54.840 0.087 0.000 0.747 2274 L CB -0.153 41.993 42.059 0.145 0.000 0.896 2274 L HN 0.050 nan 8.230 nan 0.000 0.432 2275 V N -0.408 119.610 119.914 0.174 0.000 2.233 2275 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 2275 V C 2.282 178.495 176.094 0.199 0.000 1.050 2275 V CA 2.086 64.506 62.300 0.200 0.000 1.010 2275 V CB -0.754 31.177 31.823 0.179 0.000 0.637 2275 V HN 0.447 nan 8.190 nan 0.000 0.444 2276 D N -0.200 120.300 120.400 0.168 0.000 2.149 2276 D HA -0.173 4.467 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 1.278 55.368 54.000 0.149 0.000 0.849 2276 D CB -0.186 40.685 40.800 0.119 0.000 0.939 2276 D HN 0.220 nan 8.370 nan 0.000 0.449 2277 L N 0.442 121.719 121.223 0.090 0.000 2.046 2277 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 2277 L C 2.537 179.454 176.870 0.078 0.000 1.077 2277 L CA 1.654 56.532 54.840 0.063 0.000 0.747 2277 L CB -1.201 40.878 42.059 0.033 0.000 0.896 2277 L HN 0.053 nan 8.230 nan 0.000 0.432 2278 G N -1.898 106.966 108.800 0.107 0.000 2.598 2278 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.215 2278 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.215 2278 G C 1.502 176.469 174.900 0.113 0.000 1.131 2278 G CA 0.792 45.965 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 0.060 4.180 4.120 -0.000 0.000 0.244 2279 V C 2.477 178.596 176.094 0.041 0.000 1.039 2279 V CA 1.414 63.751 62.300 0.062 0.000 1.045 2279 V CB -0.071 31.792 31.823 0.067 0.000 0.681 2279 V HN 0.259 nan 8.190 nan 0.000 0.459 2280 K N -0.302 120.129 120.400 0.051 0.000 2.418 2280 K HA -0.017 4.303 4.320 -0.000 0.000 0.195 2280 K C 1.118 177.739 176.600 0.035 0.000 1.035 2280 K CA 0.552 56.862 56.287 0.038 0.000 1.003 2280 K CB 0.273 32.797 32.500 0.040 0.000 0.793 2280 K HN 0.294 nan 8.250 nan 0.000 0.494 2281 E N 0.504 120.731 120.200 0.044 0.000 2.558 2281 E HA 0.051 4.401 4.350 -0.000 0.000 0.205 2281 E C -0.360 176.267 176.600 0.046 0.000 1.006 2281 E CA -0.015 56.410 56.400 0.042 0.000 0.961 2281 E CB 0.753 30.480 29.700 0.045 0.000 1.044 2281 E HN 0.086 nan 8.360 nan 0.000 0.465 2282 K N -0.342 120.083 120.400 0.042 0.000 3.349 2282 K HA -0.209 4.111 4.320 -0.000 0.000 0.310 2282 K C 1.073 177.701 176.600 0.046 0.000 1.267 2282 K CA 0.524 56.830 56.287 0.031 0.000 0.920 2282 K CB -2.143 30.367 32.500 0.016 0.000 1.240 2282 K HN 0.221 nan 8.250 nan 0.000 0.453 2283 L N -0.044 121.231 121.223 0.087 0.000 2.240 2283 L HA 0.123 4.463 4.340 -0.000 0.000 0.211 2283 L C 1.146 178.133 176.870 0.194 0.000 1.106 2283 L CA 0.951 55.877 54.840 0.143 0.000 0.793 2283 L CB 0.083 42.263 42.059 0.200 0.000 0.927 2283 L HN 0.140 nan 8.230 nan 0.000 0.446 2284 I N -1.047 119.621 120.570 0.165 0.000 2.509 2284 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 2284 I C -0.592 175.547 176.117 0.037 0.000 1.020 2284 I CA -0.498 60.901 61.300 0.165 0.000 1.088 2284 I CB 2.008 40.142 38.000 0.223 0.000 1.267 2284 I HN -0.102 nan 8.210 nan 0.000 0.430 2285 E N 4.955 125.150 120.200 -0.007 0.000 2.133 2285 E HA 0.290 4.640 4.350 -0.000 0.000 0.274 2285 E C -0.793 175.709 176.600 -0.162 0.000 0.930 2285 E CA -0.832 55.527 56.400 -0.069 0.000 0.770 2285 E CB 1.815 31.487 29.700 -0.046 0.000 1.104 2285 E HN 0.307 nan 8.360 nan 0.000 0.403 2286 K N 2.211 122.484 120.400 -0.212 0.000 2.273 2286 K HA 0.310 4.630 4.320 -0.000 0.000 0.287 2286 K C -0.524 176.005 176.600 -0.119 0.000 1.089 2286 K CA -0.215 55.893 56.287 -0.298 0.000 0.909 2286 K CB 0.521 32.843 32.500 -0.296 0.000 1.123 2286 K HN 0.572 nan 8.250 nan 0.000 0.473 2287 A N 4.176 126.972 122.820 -0.040 0.000 3.258 2287 A HA 0.368 4.688 4.320 -0.000 0.000 0.275 2287 A C 1.029 178.677 177.584 0.107 0.000 1.452 2287 A CA 0.251 52.316 52.037 0.045 0.000 1.120 2287 A CB -0.611 18.431 19.000 0.069 0.000 1.107 2287 A HN 1.100 nan 8.150 nan 0.000 0.651 2288 G N 0.311 109.140 108.800 0.048 0.000 5.426 2288 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.297 2288 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.297 2288 G C 1.337 176.283 174.900 0.076 0.000 1.422 2288 G CA 0.809 45.948 45.100 0.065 0.000 0.938 2288 G HN 1.759 nan 8.290 nan 0.000 0.754 2289 A N -1.053 121.841 122.820 0.125 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 0.068 0.000 1.218 2289 A CA 0.499 52.575 52.037 0.066 0.000 0.942 2289 A CB 0.197 19.174 19.000 -0.039 0.000 1.005 2289 A HN 0.558 nan 8.150 nan 0.000 0.514 2290 W N -1.075 120.277 121.300 0.087 0.000 2.381 2290 W HA 0.580 5.240 4.660 -0.000 0.000 0.329 2290 W C -0.781 175.783 176.519 0.075 0.000 1.157 2290 W CA -0.002 57.408 57.345 0.109 0.000 1.240 2290 W CB 0.551 30.027 29.460 0.027 0.000 1.199 2290 W HN 0.173 nan 8.180 nan 0.000 0.579 2291 Y N 2.224 122.647 120.300 0.206 0.000 2.388 2291 Y HA 0.390 4.940 4.550 -0.000 0.000 0.328 2291 Y C 0.059 176.005 175.900 0.077 0.000 0.963 2291 Y CA -0.741 57.421 58.100 0.103 0.000 1.240 2291 Y CB 1.146 39.627 38.460 0.034 0.000 1.118 2291 Y HN 0.134 nan 8.280 nan 0.000 0.484 2292 S N 2.939 118.711 115.700 0.119 0.000 2.472 2292 S HA 0.291 4.761 4.470 -0.000 0.000 0.303 2292 S C -1.422 173.245 174.600 0.110 0.000 1.099 2292 S CA -0.694 57.549 58.200 0.072 0.000 1.077 2292 S CB 0.971 64.180 63.200 0.015 0.000 1.031 2292 S HN 0.499 nan 8.310 nan 0.000 0.487 2293 Y N 3.227 123.505 120.300 -0.036 0.000 2.944 2293 Y HA 0.380 4.930 4.550 -0.000 0.000 0.335 2293 Y C -0.261 175.646 175.900 0.012 0.000 1.075 2293 Y CA -0.826 57.278 58.100 0.006 0.000 1.240 2293 Y CB -0.409 38.070 38.460 0.031 0.000 1.167 2293 Y HN 0.782 nan 8.280 nan 0.000 0.555 2294 K N 4.023 124.232 120.400 -0.319 0.000 5.617 2294 K HA -0.224 4.096 4.320 -0.000 0.000 0.401 2294 K C 1.066 177.566 176.600 -0.167 0.000 0.978 2294 K CA 1.067 57.175 56.287 -0.297 0.000 1.200 2294 K CB -1.132 31.097 32.500 -0.451 0.000 1.863 2294 K HN 1.166 nan 8.250 nan 0.000 0.382 2295 G N 1.448 110.188 108.800 -0.101 0.000 3.444 2295 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.222 2295 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.222 2295 G C -0.041 174.831 174.900 -0.046 0.000 1.358 2295 G CA 0.324 45.384 45.100 -0.066 0.000 0.880 2295 G HN 0.549 nan 8.290 nan 0.000 0.555 2296 E N 2.244 122.433 120.200 -0.019 0.000 2.417 2296 E HA 0.247 4.597 4.350 -0.000 0.000 0.261 2296 E C 0.056 176.641 176.600 -0.025 0.000 1.000 2296 E CA 0.393 56.797 56.400 0.006 0.000 0.919 2296 E CB 0.390 30.141 29.700 0.085 0.000 0.955 2296 E HN 0.451 nan 8.360 nan 0.000 0.455 2297 K N 3.813 124.187 120.400 -0.043 0.000 2.253 2297 K HA 0.203 4.523 4.320 -0.000 0.000 0.277 2297 K C 1.047 177.576 176.600 -0.118 0.000 1.053 2297 K CA -0.111 56.164 56.287 -0.020 0.000 0.892 2297 K CB 0.637 33.140 32.500 0.006 0.000 1.102 2297 K HN 0.506 nan 8.250 nan 0.000 0.469 2298 I N -1.566 118.862 120.570 -0.237 0.000 4.057 2298 I HA 0.336 4.506 4.170 -0.000 0.000 0.334 2298 I C 0.496 176.322 176.117 -0.486 0.000 1.308 2298 I CA -0.299 60.552 61.300 -0.747 0.000 1.125 2298 I CB 0.937 38.145 38.000 -1.320 0.000 1.034 2298 I HN 0.528 nan 8.210 nan 0.000 0.401 2299 G N 0.991 109.731 108.800 -0.101 0.000 2.387 2299 G HA2 0.382 4.342 3.960 -0.000 0.000 0.294 2299 G HA3 0.382 4.342 3.960 -0.000 0.000 0.294 2299 G C -2.199 172.659 174.900 -0.071 0.000 1.509 2299 G CA -0.612 44.441 45.100 -0.079 0.000 0.806 2299 G HN 0.218 nan 8.290 nan 0.000 0.546 2300 Q N -0.017 119.622 119.800 -0.269 0.000 2.275 2300 Q HA 0.553 4.893 4.340 -0.000 0.000 0.266 2300 Q C -0.034 175.771 176.000 -0.325 0.000 1.002 2300 Q CA 0.142 55.654 55.803 -0.486 0.000 0.761 2300 Q CB 1.585 29.763 28.738 -0.932 0.000 1.255 2300 Q HN 2.462 nan 8.270 nan 0.000 0.446 2301 G N 3.551 112.210 108.800 -0.235 0.000 3.285 2301 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.685 2301 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.685 2301 G C 0.225 174.937 174.900 -0.313 0.000 0.938 2301 G CA 0.135 45.120 45.100 -0.192 0.000 0.778 2301 G HN 0.846 nan 8.290 nan 0.000 0.515 2302 K N 1.704 121.905 120.400 -0.332 0.000 2.117 2302 K HA -0.269 4.051 4.320 -0.000 0.000 0.215 2302 K C 2.903 179.319 176.600 -0.307 0.000 1.053 2302 K CA 3.062 59.080 56.287 -0.448 0.000 0.935 2302 K CB -0.333 32.066 32.500 -0.168 0.000 0.719 2302 K HN 1.350 nan 8.250 nan 0.000 0.460 2303 A N 1.647 124.360 122.820 -0.178 0.000 1.842 2303 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 2303 A C 1.853 179.373 177.584 -0.106 0.000 1.206 2303 A CA 2.150 54.121 52.037 -0.110 0.000 0.630 2303 A CB -0.974 17.978 19.000 -0.081 0.000 0.839 2303 A HN 0.496 nan 8.150 nan 0.000 0.447 2304 N N 0.100 118.728 118.700 -0.121 0.000 2.348 2304 N HA -0.099 4.641 4.740 -0.000 0.000 0.185 2304 N C 1.681 177.161 175.510 -0.050 0.000 1.019 2304 N CA 1.373 54.376 53.050 -0.079 0.000 0.880 2304 N CB -0.450 37.979 38.487 -0.098 0.000 0.965 2304 N HN 0.548 nan 8.380 nan 0.000 0.437 2305 A N 0.209 122.943 122.820 -0.143 0.000 1.878 2305 A HA -0.017 4.303 4.320 -0.000 0.000 0.213 2305 A C 2.331 179.936 177.584 0.034 0.000 1.192 2305 A CA 1.408 53.385 52.037 -0.099 0.000 0.619 2305 A CB -0.920 17.863 19.000 -0.360 0.000 0.837 2305 A HN 0.216 nan 8.150 nan 0.000 0.446 2306 T N 1.048 115.583 114.554 -0.033 0.000 2.536 2306 T HA -0.205 4.145 4.350 -0.000 0.000 0.263 2306 T C 1.830 176.566 174.700 0.061 0.000 1.115 2306 T CA 2.078 64.207 62.100 0.048 0.000 1.180 2306 T CB -0.628 68.255 68.868 0.024 0.000 0.864 2306 T HN 0.620 nan 8.240 nan 0.000 0.419 2307 A N -0.822 122.006 122.820 0.015 0.000 2.236 2307 A HA 0.123 4.443 4.320 -0.000 0.000 0.214 2307 A C 1.510 179.104 177.584 0.017 0.000 1.287 2307 A CA 0.237 52.250 52.037 -0.041 0.000 0.909 2307 A CB -1.058 17.914 19.000 -0.047 0.000 0.839 2307 A HN 0.774 nan 8.150 nan 0.000 0.486 2308 W N -0.767 120.476 121.300 -0.096 0.000 2.735 2308 W HA 0.177 4.837 4.660 -0.000 0.000 0.264 2308 W C 1.271 177.748 176.519 -0.071 0.000 1.233 2308 W CA 0.497 57.802 57.345 -0.067 0.000 1.408 2308 W CB 0.152 29.599 29.460 -0.021 0.000 1.038 2308 W HN 0.223 nan 8.180 nan 0.000 0.603 2309 L N 1.007 122.300 121.223 0.117 0.000 2.201 2309 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 2309 L C 2.320 179.020 176.870 -0.284 0.000 1.105 2309 L CA 1.230 56.078 54.840 0.012 0.000 0.775 2309 L CB -0.851 41.416 42.059 0.348 0.000 0.913 2309 L HN -0.075 nan 8.230 nan 0.000 0.440 2310 K N 0.218 120.277 120.400 -0.569 0.000 2.362 2310 K HA -0.186 4.134 4.320 -0.000 0.000 0.200 2310 K C 1.289 177.624 176.600 -0.441 0.000 1.046 2310 K CA 1.167 56.981 56.287 -0.789 0.000 0.952 2310 K CB 0.153 32.245 32.500 -0.680 0.000 0.753 2310 K HN 0.197 nan 8.250 nan 0.000 0.466 2311 D N 0.208 120.353 120.400 -0.425 0.000 2.277 2311 D HA -0.016 4.624 4.640 -0.000 0.000 0.209 2311 D C -0.316 175.735 176.300 -0.415 0.000 0.970 2311 D CA 0.532 54.295 54.000 -0.395 0.000 0.874 2311 D CB 0.358 40.902 40.800 -0.427 0.000 0.982 2311 D HN 0.266 nan 8.370 nan 0.000 0.504 2312 N N -0.141 118.240 118.700 -0.532 0.000 2.664 2312 N HA 0.201 4.941 4.740 -0.000 0.000 0.257 2312 N C -2.538 172.812 175.510 -0.266 0.000 1.108 2312 N CA -1.300 51.514 53.050 -0.393 0.000 0.822 2312 N CB 2.076 40.299 38.487 -0.440 0.000 1.199 2312 N HN -0.163 nan 8.380 nan 0.000 0.529 2313 P HA -0.069 nan 4.420 nan 0.000 0.236 2313 P C 1.013 178.276 177.300 -0.062 0.000 1.172 2313 P CA 0.676 63.744 63.100 -0.054 0.000 0.759 2313 P CB 0.362 32.039 31.700 -0.037 0.000 0.843 2314 E N -0.271 119.877 120.200 -0.086 0.000 2.017 2314 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 2314 E C 1.642 178.218 176.600 -0.039 0.000 0.997 2314 E CA 1.723 58.090 56.400 -0.055 0.000 0.804 2314 E CB -1.130 28.539 29.700 -0.052 0.000 0.757 2314 E HN 0.280 nan 8.360 nan 0.000 0.448 2315 T N 1.320 115.836 114.554 -0.064 0.000 2.995 2315 T HA 0.058 4.408 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 0.859 62.918 62.100 -0.068 0.000 1.128 2315 T CB -0.056 68.742 68.868 -0.116 0.000 0.891 2315 T HN 0.213 nan 8.240 nan 0.000 0.492 2316 A N 2.727 125.530 122.820 -0.028 0.000 1.835 2316 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 2316 A C 2.225 179.818 177.584 0.014 0.000 1.199 2316 A CA 1.372 53.426 52.037 0.028 0.000 0.615 2316 A CB -0.539 18.514 19.000 0.088 0.000 0.838 2316 A HN 0.410 nan 8.150 nan 0.000 0.444 2317 K N -0.426 119.967 120.400 -0.012 0.000 2.362 2317 K HA -0.189 4.131 4.320 -0.000 0.000 0.202 2317 K C 1.961 178.572 176.600 0.019 0.000 1.045 2317 K CA 1.432 57.713 56.287 -0.010 0.000 0.936 2317 K CB -0.071 32.411 32.500 -0.030 0.000 0.747 2317 K HN 0.721 nan 8.250 nan 0.000 0.467 2318 E N 0.903 121.117 120.200 0.024 0.000 2.033 2318 E HA -0.085 4.264 4.350 -0.000 0.000 0.189 2318 E C 1.908 178.546 176.600 0.064 0.000 0.979 2318 E CA 0.586 57.014 56.400 0.047 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 2.570 178.735 176.117 0.079 0.000 1.117 2319 I CA 0.834 62.185 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 0.244 nan 8.210 nan 0.000 0.419 2320 E N 1.761 122.008 120.200 0.079 0.000 2.068 2320 E HA -0.358 3.991 4.350 -0.000 0.000 0.207 2320 E C 2.177 178.816 176.600 0.064 0.000 1.032 2320 E CA 2.086 58.542 56.400 0.093 0.000 0.839 2320 E CB -0.023 29.755 29.700 0.129 0.000 0.758 2320 E HN 0.346 nan 8.360 nan 0.000 0.457 2321 K N 0.261 120.695 120.400 0.056 0.000 2.057 2321 K HA -0.110 4.210 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 1.381 57.694 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 -0.009 nan 8.250 nan 0.000 0.439 2322 K N 0.067 120.500 120.400 0.054 0.000 2.360 2322 K HA -0.097 4.223 4.320 -0.000 0.000 0.201 2322 K C 1.702 178.332 176.600 0.049 0.000 1.046 2322 K CA 0.920 57.240 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 0.555 120.495 119.914 0.045 0.000 2.599 2323 V HA -0.091 4.029 4.120 -0.000 0.000 0.245 2323 V C 2.051 178.154 176.094 0.014 0.000 1.046 2323 V CA 0.974 63.292 62.300 0.031 0.000 1.065 2323 V CB -0.297 31.543 31.823 0.029 0.000 0.703 2323 V HN 0.223 nan 8.190 nan 0.000 0.464 2324 R N 0.339 120.846 120.500 0.011 0.000 2.103 2324 R HA -0.219 4.121 4.340 -0.000 0.000 0.242 2324 R C 2.247 178.552 176.300 0.007 0.000 1.142 2324 R CA 1.922 58.023 56.100 0.002 0.000 0.960 2324 R CB -0.292 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 0.346 120.556 120.200 0.016 0.000 2.153 2325 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 2325 E C 1.752 178.362 176.600 0.016 0.000 0.988 2325 E CA 0.806 57.217 56.400 0.017 0.000 0.811 2325 E CB 0.058 29.772 29.700 0.023 0.000 0.746 2325 E HN 0.276 nan 8.360 nan 0.000 0.466 2326 L N -0.151 121.083 121.223 0.018 0.000 2.509 2326 L HA 0.035 4.375 4.340 -0.000 0.000 0.222 2326 L C 1.592 178.469 176.870 0.012 0.000 1.123 2326 L CA 0.343 55.193 54.840 0.017 0.000 0.856 2326 L CB 0.431 42.504 42.059 0.023 0.000 0.985 2326 L HN 0.100 nan 8.230 nan 0.000 0.456 2327 L N -1.936 119.291 121.223 0.006 0.000 3.128 2327 L HA 0.213 4.553 4.340 -0.000 0.000 0.277 2327 L C -0.198 176.670 176.870 -0.003 0.000 1.171 2327 L CA -0.171 54.669 54.840 0.001 0.000 1.008 2327 L CB 0.931 42.988 42.059 -0.003 0.000 1.442 2327 L HN 0.019 nan 8.230 nan 0.000 0.584 3007 Q N 0.844 120.649 119.800 0.008 0.000 2.329 3007 Q HA 0.066 4.406 4.340 -0.000 0.000 0.208 3007 Q C 0.692 176.698 176.000 0.010 0.000 0.934 3007 Q CA 0.522 56.331 55.803 0.009 0.000 0.951 3007 Q CB 0.156 28.900 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 -0.044 4.276 4.320 -0.000 0.000 0.205 3008 K C 1.730 178.336 176.600 0.010 0.000 1.047 3008 K CA 1.097 57.389 56.287 0.008 0.000 0.943 3008 K CB -0.035 32.469 32.500 0.007 0.000 0.725 3008 K HN 0.238 nan 8.250 nan 0.000 0.439 3009 A N 0.970 123.796 122.820 0.010 0.000 2.014 3009 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 3009 A C 1.889 179.482 177.584 0.015 0.000 1.163 3009 A CA 0.855 52.899 52.037 0.011 0.000 0.652 3009 A CB -0.315 18.691 19.000 0.010 0.000 0.808 3009 A HN 0.360 nan 8.150 nan 0.000 0.449 3010 L N -0.522 120.710 121.223 0.015 0.000 2.056 3010 L HA 0.262 4.602 4.340 -0.000 0.000 0.202 3010 L C 2.437 179.320 176.870 0.020 0.000 1.086 3010 L CA 1.914 56.765 54.840 0.019 0.000 0.758 3010 L CB -0.811 41.258 42.059 0.017 0.000 0.912 3010 L HN 0.216 nan 8.230 nan 0.000 0.446 3011 A N -0.932 121.899 122.820 0.018 0.000 2.272 3011 A HA 0.146 4.466 4.320 -0.000 0.000 0.213 3011 A C 1.863 179.458 177.584 0.017 0.000 1.183 3011 A CA 1.537 53.585 52.037 0.018 0.000 0.719 3011 A CB -0.958 18.051 19.000 0.015 0.000 0.771 3011 A HN 0.637 nan 8.150 nan 0.000 0.484 3012 A N -1.140 121.690 122.820 0.017 0.000 2.016 3012 A HA 0.563 4.883 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 -0.944 18.063 19.000 0.012 0.000 1.103 3012 A HN 0.987 nan 8.150 nan 0.000 0.547 3013 A N 0.293 123.126 122.820 0.022 0.000 2.131 3013 A HA 0.017 4.337 4.320 -0.000 0.000 0.220 3013 A C 1.991 179.598 177.584 0.038 0.000 1.158 3013 A CA 1.269 53.322 52.037 0.027 0.000 0.665 3013 A CB -0.767 18.250 19.000 0.028 0.000 0.795 3013 A HN 0.487 nan 8.150 nan 0.000 0.460 3014 L N -0.806 120.439 121.223 0.038 0.000 1.924 3014 L HA -0.191 4.149 4.340 -0.000 0.000 0.222 3014 L C 2.868 179.769 176.870 0.052 0.000 1.081 3014 L CA 1.529 56.397 54.840 0.047 0.000 0.780 3014 L CB -1.272 40.812 42.059 0.040 0.000 0.891 3014 L HN 0.442 nan 8.230 nan 0.000 0.434 3015 G N -1.256 107.568 108.800 0.041 0.000 2.499 3015 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.221 3015 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.221 3015 G C 1.475 176.397 174.900 0.036 0.000 1.109 3015 G CA 0.302 45.425 45.100 0.039 0.000 0.749 3015 G HN 0.366 nan 8.290 nan 0.000 0.568 3016 Q N -0.074 119.745 119.800 0.031 0.000 2.152 3016 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 3016 Q C 2.640 178.654 176.000 0.023 0.000 0.985 3016 Q CA 0.969 56.782 55.803 0.016 0.000 0.863 3016 Q CB -0.226 28.521 28.738 0.016 0.000 0.904 3016 Q HN 0.508 nan 8.270 nan 0.000 0.422 3017 I N 0.175 120.795 120.570 0.084 0.000 2.406 3017 I HA -0.122 4.048 4.170 -0.000 0.000 0.249 3017 I C 2.041 178.285 176.117 0.212 0.000 1.122 3017 I CA 0.810 62.224 61.300 0.188 0.000 1.431 3017 I CB -1.182 36.957 38.000 0.231 0.000 1.087 3017 I HN 0.202 nan 8.210 nan 0.000 0.424 3018 E N 1.161 121.439 120.200 0.131 0.000 2.077 3018 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 3018 E C 2.198 178.839 176.600 0.069 0.000 0.989 3018 E CA 1.213 57.680 56.400 0.111 0.000 0.800 3018 E CB 0.010 29.753 29.700 0.073 0.000 0.746 3018 E HN 0.375 nan 8.360 nan 0.000 0.452 3019 K N 0.649 121.061 120.400 0.020 0.000 2.057 3019 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 3019 K C 2.158 178.704 176.600 -0.090 0.000 1.050 3019 K CA 1.148 57.421 56.287 -0.023 0.000 0.935 3019 K CB 0.089 32.570 32.500 -0.031 0.000 0.715 3019 K HN 0.075 nan 8.250 nan 0.000 0.439 3020 Q N -1.096 118.588 119.800 -0.192 0.000 2.167 3020 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 3020 Q C 1.058 176.686 176.000 -0.620 0.000 0.970 3020 Q CA 1.455 56.961 55.803 -0.495 0.000 0.855 3020 Q CB 0.157 28.418 28.738 -0.795 0.000 0.911 3020 Q HN 0.230 nan 8.270 nan 0.000 0.438 3021 F N -1.632 118.328 119.950 0.017 0.000 2.294 3021 F HA 0.385 4.912 4.527 -0.000 0.000 0.241 3021 F C 0.975 176.787 175.800 0.020 0.000 1.009 3021 F CA 0.046 58.058 58.000 0.019 0.000 1.165 3021 F CB -0.152 38.863 39.000 0.024 0.000 1.445 3021 F HN -0.151 nan 8.300 nan 0.000 0.632 3022 G N 0.159 109.114 108.800 0.259 0.000 2.638 3022 G HA2 0.431 4.391 3.960 -0.000 0.000 0.302 3022 G HA3 0.431 4.391 3.960 -0.000 0.000 0.302 3022 G C -1.594 173.372 174.900 0.109 0.000 1.365 3022 G CA -0.749 44.434 45.100 0.139 0.000 0.987 3022 G HN 0.014 nan 8.290 nan 0.000 0.495 3023 K N 0.855 121.296 120.400 0.069 0.000 2.336 3023 K HA 0.444 4.764 4.320 -0.000 0.000 0.290 3023 K C 0.937 177.568 176.600 0.050 0.000 1.067 3023 K CA 1.036 57.355 56.287 0.053 0.000 0.962 3023 K CB 0.086 32.606 32.500 0.033 0.000 1.008 3023 K HN 1.311 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 -0.200 3.760 3.960 -0.000 0.000 0.205 3024 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.205 3024 G C 0.045 174.979 174.900 0.057 0.000 1.071 3024 G CA 0.134 45.264 45.100 0.050 0.000 0.788 3024 G HN 0.624 nan 8.290 nan 0.000 0.491 3025 S N -0.928 114.817 115.700 0.075 0.000 2.651 3025 S HA 0.693 5.163 4.470 -0.000 0.000 0.246 3025 S C 0.222 174.866 174.600 0.074 0.000 1.039 3025 S CA 0.157 58.400 58.200 0.072 0.000 1.013 3025 S CB 0.580 63.823 63.200 0.071 0.000 0.861 3025 S HN 1.573 nan 8.310 nan 0.000 0.485 3026 I N 0.964 121.581 120.570 0.079 0.000 2.787 3026 I HA 0.646 4.816 4.170 -0.000 0.000 0.294 3026 I C -1.854 174.310 176.117 0.078 0.000 1.365 3026 I CA -1.082 60.268 61.300 0.083 0.000 1.029 3026 I CB 1.993 40.042 38.000 0.081 0.000 1.313 3026 I HN 0.417 nan 8.210 nan 0.000 0.431 3027 M N 4.573 124.224 119.600 0.085 0.000 2.895 3027 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 3027 M C -1.715 174.631 176.300 0.078 0.000 1.174 3027 M CA -1.049 54.294 55.300 0.073 0.000 0.816 3027 M CB 1.774 34.410 32.600 0.060 0.000 1.647 3027 M HN 0.449 nan 8.290 nan 0.000 0.506 3028 R N 0.778 121.315 120.500 0.062 0.000 2.543 3028 R HA 0.375 4.715 4.340 -0.000 0.000 0.277 3028 R C 0.533 176.870 176.300 0.062 0.000 1.074 3028 R CA -0.216 55.919 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 1.196 122.458 121.223 0.066 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 0.058 0.000 1.125 3029 L CA 0.785 55.672 54.840 0.078 0.000 0.835 3029 L CB 0.126 42.238 42.059 0.089 0.000 0.953 3029 L HN 0.790 nan 8.230 nan 0.000 0.454 3030 G N -0.046 108.780 108.800 0.042 0.000 3.943 3030 G HA2 0.149 4.109 3.960 -0.000 0.000 0.275 3030 G HA3 0.149 4.109 3.960 -0.000 0.000 0.275 3030 G C -0.060 174.858 174.900 0.030 0.000 1.234 3030 G CA -0.211 44.909 45.100 0.033 0.000 1.522 3030 G HN -0.049 nan 8.290 nan 0.000 0.636 3031 E N 0.224 120.443 120.200 0.032 0.000 2.171 3031 E HA 0.192 4.542 4.350 -0.000 0.000 0.271 3031 E C -0.116 176.498 176.600 0.023 0.000 0.916 3031 E CA -0.491 55.925 56.400 0.028 0.000 0.774 3031 E CB 2.064 31.782 29.700 0.030 0.000 1.128 3031 E HN 0.114 nan 8.360 nan 0.000 0.403 3032 D N 1.443 121.855 120.400 0.019 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 0.824 54.833 54.000 0.016 0.000 0.828 3032 D CB 0.069 40.877 40.800 0.014 0.000 0.967 3032 D HN 0.093 nan 8.370 nan 0.000 0.464 3033 R N 1.526 122.035 120.500 0.015 0.000 3.253 3033 R HA 0.018 4.358 4.340 -0.000 0.000 0.319 3033 R C 0.055 176.362 176.300 0.012 0.000 1.047 3033 R CA 0.001 56.109 56.100 0.014 0.000 0.970 3033 R CB -0.552 29.758 30.300 0.017 0.000 1.000 3033 R HN 0.222 nan 8.270 nan 0.000 0.423 3034 S N 2.344 118.049 115.700 0.007 0.000 2.713 3034 S HA 0.571 5.041 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 -0.975 57.227 58.200 0.003 0.000 0.999 3034 S CB 1.704 64.903 63.200 -0.002 0.000 1.039 3034 S HN 0.320 nan 8.310 nan 0.000 0.548 3035 M N 0.491 120.090 119.600 -0.000 0.000 2.799 3035 M HA 0.484 4.964 4.480 -0.000 0.000 0.274 3035 M C -1.151 175.147 176.300 -0.003 0.000 1.137 3035 M CA -0.821 54.479 55.300 0.000 0.000 0.897 3035 M CB 0.424 33.025 32.600 0.002 0.000 1.567 3035 M HN 0.473 nan 8.290 nan 0.000 0.536 3036 D N 1.125 121.523 120.400 -0.003 0.000 2.396 3036 D HA 0.529 5.169 4.640 -0.000 0.000 0.225 3036 D C -1.307 174.988 176.300 -0.009 0.000 1.121 3036 D CA 0.171 54.168 54.000 -0.006 0.000 0.853 3036 D CB 0.893 41.691 40.800 -0.004 0.000 1.043 3036 D HN 0.236 nan 8.370 nan 0.000 0.500 3037 V N 1.379 121.285 119.914 -0.012 0.000 3.087 3037 V HA 0.271 4.391 4.120 -0.000 0.000 0.306 3037 V C 0.140 176.223 176.094 -0.018 0.000 1.187 3037 V CA -1.178 61.114 62.300 -0.015 0.000 0.999 3037 V CB 2.238 34.051 31.823 -0.017 0.000 1.049 3037 V HN 0.322 nan 8.190 nan 0.000 0.431 3038 E N 2.275 122.464 120.200 -0.019 0.000 2.493 3038 E HA 0.228 4.578 4.350 -0.000 0.000 0.255 3038 E C -0.321 176.262 176.600 -0.028 0.000 0.999 3038 E CA 0.292 56.678 56.400 -0.023 0.000 0.934 3038 E CB 0.704 30.390 29.700 -0.022 0.000 0.940 3038 E HN 0.841 nan 8.360 nan 0.000 0.473 3039 T N 1.517 116.051 114.554 -0.032 0.000 2.815 3039 T HA 0.396 4.746 4.350 -0.000 0.000 0.289 3039 T C 0.100 174.771 174.700 -0.047 0.000 1.000 3039 T CA -0.974 61.102 62.100 -0.039 0.000 0.958 3039 T CB 0.674 69.519 68.868 -0.038 0.000 0.944 3039 T HN 0.126 nan 8.240 nan 0.000 0.442 3040 I N 2.414 122.953 120.570 -0.052 0.000 2.575 3040 I HA 0.272 4.442 4.170 -0.000 0.000 0.285 3040 I C 1.147 177.216 176.117 -0.080 0.000 1.085 3040 I CA -0.438 60.823 61.300 -0.064 0.000 1.403 3040 I CB 1.087 39.049 38.000 -0.063 0.000 1.409 3040 I HN 0.721 nan 8.210 nan 0.000 0.557 3041 S N 2.835 118.475 115.700 -0.099 0.000 2.562 3041 S HA 0.082 4.552 4.470 -0.000 0.000 0.281 3041 S C 1.410 175.927 174.600 -0.138 0.000 1.333 3041 S CA -0.110 58.014 58.200 -0.128 0.000 1.052 3041 S CB 0.408 63.510 63.200 -0.163 0.000 0.884 3041 S HN 0.811 nan 8.310 nan 0.000 0.506 3042 T N 1.615 116.081 114.554 -0.147 0.000 3.088 3042 T HA 0.315 4.665 4.350 -0.000 0.000 0.259 3042 T C 1.446 176.033 174.700 -0.188 0.000 1.122 3042 T CA 0.849 62.864 62.100 -0.141 0.000 1.095 3042 T CB -0.223 68.573 68.868 -0.121 0.000 0.930 3042 T HN 1.252 nan 8.240 nan 0.000 0.508 3043 G N 0.890 109.542 108.800 -0.246 0.000 2.397 3043 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.211 3043 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.211 3043 G C 0.557 175.212 174.900 -0.409 0.000 1.077 3043 G CA 0.428 45.344 45.100 -0.308 0.000 0.649 3043 G HN 0.991 nan 8.290 nan 0.000 0.511 3044 S N -0.355 115.075 115.700 -0.451 0.000 2.625 3044 S HA 0.657 5.127 4.470 -0.000 0.000 0.258 3044 S C 1.237 175.620 174.600 -0.360 0.000 1.256 3044 S CA 0.610 58.467 58.200 -0.571 0.000 0.983 3044 S CB 1.019 63.787 63.200 -0.721 0.000 1.032 3044 S HN 0.772 nan 8.310 nan 0.000 0.572 3045 L N 0.385 121.445 121.223 -0.272 0.000 2.678 3045 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 3045 L C 2.394 179.212 176.870 -0.087 0.000 1.043 3045 L CA 1.501 56.248 54.840 -0.154 0.000 0.881 3045 L CB -1.022 40.979 42.059 -0.097 0.000 1.361 3045 L HN 0.890 nan 8.230 nan 0.000 0.484 3046 S N -0.344 115.321 115.700 -0.057 0.000 2.453 3046 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 3046 S C 1.928 176.540 174.600 0.020 0.000 1.005 3046 S CA 0.722 58.930 58.200 0.014 0.000 0.949 3046 S CB -0.485 62.762 63.200 0.078 0.000 0.774 3046 S HN 0.387 nan 8.310 nan 0.000 0.510 3047 L N 1.748 122.965 121.223 -0.010 0.000 2.017 3047 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 3047 L C 1.269 178.122 176.870 -0.029 0.000 1.073 3047 L CA 1.981 56.823 54.840 0.004 0.000 0.745 3047 L CB -0.498 41.546 42.059 -0.026 0.000 0.894 3047 L HN 0.222 nan 8.230 nan 0.000 0.432 3048 D N -0.538 119.824 120.400 -0.063 0.000 2.371 3048 D HA -0.065 4.575 4.640 -0.000 0.000 0.221 3048 D C 1.861 178.138 176.300 -0.038 0.000 0.986 3048 D CA 0.813 54.777 54.000 -0.060 0.000 0.899 3048 D CB 0.142 40.891 40.800 -0.086 0.000 0.902 3048 D HN 0.391 nan 8.370 nan 0.000 0.530 3049 I N 0.102 120.658 120.570 -0.023 0.000 3.081 3049 I HA 0.034 4.204 4.170 -0.000 0.000 0.274 3049 I C 2.133 178.251 176.117 0.002 0.000 1.178 3049 I CA 0.261 61.557 61.300 -0.007 0.000 1.460 3049 I CB 0.221 38.223 38.000 0.004 0.000 1.137 3049 I HN -0.055 nan 8.210 nan 0.000 0.443 3050 A N 0.490 123.314 122.820 0.007 0.000 2.072 3050 A HA 0.019 4.338 4.320 -0.000 0.000 0.216 3050 A C 2.188 179.767 177.584 -0.008 0.000 1.156 3050 A CA 0.692 52.737 52.037 0.012 0.000 0.701 3050 A CB -0.456 18.561 19.000 0.029 0.000 0.816 3050 A HN 0.304 nan 8.150 nan 0.000 0.458 3051 L N -1.318 119.893 121.223 -0.020 0.000 2.017 3051 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 3051 L C 2.254 179.107 176.870 -0.029 0.000 1.073 3051 L CA 1.478 56.297 54.840 -0.035 0.000 0.745 3051 L CB -0.417 41.617 42.059 -0.042 0.000 0.894 3051 L HN 0.592 nan 8.230 nan 0.000 0.432 3052 G N -1.812 106.977 108.800 -0.019 0.000 2.258 3052 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.233 3052 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.233 3052 G C 0.959 175.850 174.900 -0.014 0.000 1.006 3052 G CA 0.545 45.638 45.100 -0.012 0.000 0.620 3052 G HN 0.489 nan 8.290 nan 0.000 0.511 3053 A N -0.518 122.289 122.820 -0.022 0.000 2.063 3053 A HA 0.612 4.932 4.320 -0.000 0.000 0.211 3053 A C 2.515 180.083 177.584 -0.026 0.000 1.177 3053 A CA 2.198 54.221 52.037 -0.023 0.000 0.759 3053 A CB -0.120 18.863 19.000 -0.028 0.000 0.857 3053 A HN 2.414 nan 8.150 nan 0.000 0.468 3054 G N -3.118 105.663 108.800 -0.032 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 0.938 175.806 174.900 -0.053 0.000 1.000 3054 G CA 0.364 45.441 45.100 -0.039 0.000 0.663 3054 G HN 2.153 nan 8.290 nan 0.000 0.493 3055 G N -1.079 107.689 108.800 -0.052 0.000 2.352 3055 G HA2 0.457 4.417 3.960 -0.000 0.000 0.283 3055 G HA3 0.457 4.417 3.960 -0.000 0.000 0.283 3055 G C -0.812 174.056 174.900 -0.053 0.000 1.308 3055 G CA -0.443 44.620 45.100 -0.061 0.000 0.892 3055 G HN 0.935 nan 8.290 nan 0.000 0.504 3056 L N 1.306 122.496 121.223 -0.055 0.000 2.367 3056 L HA 0.351 4.691 4.340 -0.000 0.000 0.275 3056 L C -2.104 174.742 176.870 -0.040 0.000 1.129 3056 L CA -1.499 53.312 54.840 -0.047 0.000 0.839 3056 L CB 0.974 43.006 42.059 -0.046 0.000 1.133 3056 L HN 0.185 nan 8.230 nan 0.000 0.453 3057 P HA 0.052 nan 4.420 nan 0.000 0.265 3057 P C -0.228 177.057 177.300 -0.026 0.000 1.222 3057 P CA -0.019 63.063 63.100 -0.029 0.000 0.767 3057 P CB 0.400 32.084 31.700 -0.028 0.000 0.801 3058 M N 3.156 122.740 119.600 -0.026 0.000 2.268 3058 M HA 0.146 4.626 4.480 -0.000 0.000 0.349 3058 M C 1.333 177.621 176.300 -0.021 0.000 1.485 3058 M CA 0.917 56.203 55.300 -0.024 0.000 1.094 3058 M CB -0.818 31.767 32.600 -0.025 0.000 1.843 3058 M HN 0.783 nan 8.290 nan 0.000 0.460 3059 G N 3.834 112.623 108.800 -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 0.142 175.031 174.900 -0.019 0.000 1.062 3059 G CA -0.207 44.882 45.100 -0.018 0.000 0.815 3059 G HN 0.612 nan 8.290 nan 0.000 0.497 3060 R N -1.220 119.272 120.500 -0.014 0.000 3.150 3060 R HA 0.755 5.095 4.340 -0.000 0.000 0.236 3060 R C 0.102 176.410 176.300 0.013 0.000 1.469 3060 R CA -0.917 55.175 56.100 -0.012 0.000 1.045 3060 R CB 0.727 31.018 30.300 -0.014 0.000 1.481 3060 R HN 0.208 nan 8.270 nan 0.000 0.506 3061 I N 0.878 121.466 120.570 0.030 0.000 2.603 3061 I HA 0.403 4.573 4.170 -0.000 0.000 0.300 3061 I C -0.692 175.467 176.117 0.071 0.000 1.017 3061 I CA -1.029 60.324 61.300 0.088 0.000 1.098 3061 I CB 2.295 40.383 38.000 0.146 0.000 1.279 3061 I HN 0.004 nan 8.210 nan 0.000 0.437 3062 V N 5.283 125.257 119.914 0.101 0.000 2.577 3062 V HA 0.290 4.410 4.120 -0.000 0.000 0.303 3062 V C -0.473 175.677 176.094 0.093 0.000 1.042 3062 V CA -0.550 61.780 62.300 0.049 0.000 0.872 3062 V CB 2.091 33.919 31.823 0.009 0.000 0.998 3062 V HN 0.725 nan 8.190 nan 0.000 0.423 3063 E N 5.279 125.495 120.200 0.027 0.000 2.158 3063 E HA 0.592 4.942 4.350 -0.000 0.000 0.271 3063 E C -1.427 175.134 176.600 -0.065 0.000 0.911 3063 E CA -0.567 55.855 56.400 0.036 0.000 0.767 3063 E CB 1.630 31.329 29.700 -0.001 0.000 1.120 3063 E HN 0.625 nan 8.360 nan 0.000 0.405 3064 I N 6.228 126.796 120.570 -0.004 0.000 2.404 3064 I HA 0.375 4.544 4.170 -0.000 0.000 0.293 3064 I C -0.632 175.526 176.117 0.069 0.000 0.992 3064 I CA -0.737 60.538 61.300 -0.041 0.000 1.149 3064 I CB 0.992 38.999 38.000 0.011 0.000 1.315 3064 I HN 0.574 nan 8.210 nan 0.000 0.446 3065 Y N 3.873 124.194 120.300 0.035 0.000 2.638 3065 Y HA 0.948 5.498 4.550 -0.000 0.000 0.339 3065 Y C -0.192 175.724 175.900 0.026 0.000 1.084 3065 Y CA -1.130 56.989 58.100 0.031 0.000 1.068 3065 Y CB 2.308 40.782 38.460 0.024 0.000 1.294 3065 Y HN 0.666 nan 8.280 nan 0.000 0.480 3066 G N 0.740 109.717 108.800 0.296 0.000 2.321 3066 G HA2 0.255 4.215 3.960 -0.000 0.000 0.339 3066 G HA3 0.255 4.215 3.960 -0.000 0.000 0.339 3066 G C -3.488 171.448 174.900 0.060 0.000 1.518 3066 G CA -1.218 43.968 45.100 0.142 0.000 0.994 3066 G HN 0.496 nan 8.290 nan 0.000 0.668 3067 P HA 0.142 nan 4.420 nan 0.000 0.270 3067 P C 0.318 177.637 177.300 0.031 0.000 1.216 3067 P CA 0.255 63.364 63.100 0.014 0.000 0.788 3067 P CB 0.355 32.061 31.700 0.010 0.000 0.883 3068 E N -0.144 120.072 120.200 0.026 0.000 2.373 3068 E HA 0.171 4.521 4.350 -0.000 0.000 0.267 3068 E C -0.407 176.215 176.600 0.037 0.000 1.032 3068 E CA -0.579 55.842 56.400 0.034 0.000 0.889 3068 E CB -0.133 29.585 29.700 0.030 0.000 0.984 3068 E HN 0.293 nan 8.360 nan 0.000 0.425 3069 S N 1.433 117.159 115.700 0.042 0.000 3.711 3069 S HA -0.184 4.286 4.470 -0.000 0.000 0.374 3069 S C 0.623 175.247 174.600 0.040 0.000 0.969 3069 S CA 0.821 59.047 58.200 0.043 0.000 1.198 3069 S CB -1.870 61.360 63.200 0.050 0.000 0.903 3069 S HN 0.768 nan 8.310 nan 0.000 0.493 3070 S N -0.531 115.192 115.700 0.038 0.000 2.497 3070 S HA 0.508 4.978 4.470 -0.000 0.000 0.221 3070 S C 1.527 176.142 174.600 0.026 0.000 1.037 3070 S CA 0.690 58.911 58.200 0.035 0.000 0.920 3070 S CB 0.874 64.100 63.200 0.043 0.000 0.800 3070 S HN 1.942 nan 8.310 nan 0.000 0.505 3071 G N 1.196 110.014 108.800 0.029 0.000 2.234 3071 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.153 3071 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.153 3071 G C 0.547 175.471 174.900 0.041 0.000 1.013 3071 G CA 0.205 45.319 45.100 0.023 0.000 0.712 3071 G HN 0.367 nan 8.290 nan 0.000 0.491 3072 K N 0.074 120.506 120.400 0.054 0.000 1.986 3072 K HA -0.189 4.131 4.320 -0.000 0.000 0.230 3072 K C 2.615 179.251 176.600 0.060 0.000 1.048 3072 K CA 2.748 59.075 56.287 0.066 0.000 1.008 3072 K CB -0.519 32.027 32.500 0.077 0.000 0.737 3072 K HN 0.253 nan 8.250 nan 0.000 0.447 3073 T N 0.113 114.708 114.554 0.069 0.000 2.565 3073 T HA -0.243 4.107 4.350 -0.000 0.000 0.265 3073 T C 1.851 176.547 174.700 -0.006 0.000 1.082 3073 T CA 2.365 64.513 62.100 0.080 0.000 1.173 3073 T CB -0.680 68.255 68.868 0.111 0.000 0.864 3073 T HN 0.421 nan 8.240 nan 0.000 0.425 3074 T N 2.012 116.539 114.554 -0.045 0.000 2.649 3074 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 3074 T C 1.861 176.512 174.700 -0.083 0.000 1.036 3074 T CA 1.523 63.553 62.100 -0.116 0.000 1.157 3074 T CB -0.592 68.230 68.868 -0.077 0.000 0.861 3074 T HN 0.245 nan 8.240 nan 0.000 0.445 3075 L N 0.651 121.866 121.223 -0.014 0.000 1.989 3075 L HA -0.190 4.149 4.340 -0.000 0.000 0.211 3075 L C 2.888 179.734 176.870 -0.040 0.000 1.071 3075 L CA 2.116 56.957 54.840 0.001 0.000 0.749 3075 L CB -0.869 41.221 42.059 0.052 0.000 0.890 3075 L HN 0.490 nan 8.230 nan 0.000 0.431 3076 T N -1.520 113.022 114.554 -0.019 0.000 2.635 3076 T HA -0.294 4.056 4.350 -0.000 0.000 0.267 3076 T C 1.804 176.448 174.700 -0.092 0.000 1.040 3076 T CA 1.767 63.854 62.100 -0.021 0.000 1.156 3076 T CB -0.932 67.975 68.868 0.065 0.000 0.863 3076 T HN 0.260 nan 8.240 nan 0.000 0.430 3077 L N 0.971 122.099 121.223 -0.159 0.000 2.127 3077 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 3077 L C 3.137 179.881 176.870 -0.210 0.000 1.089 3077 L CA 1.443 56.127 54.840 -0.260 0.000 0.757 3077 L CB -0.664 41.189 42.059 -0.343 0.000 0.899 3077 L HN 0.249 nan 8.230 nan 0.000 0.434 3078 Q N -0.816 118.881 119.800 -0.172 0.000 2.291 3078 Q HA -0.103 4.237 4.340 -0.000 0.000 0.205 3078 Q C 2.284 178.189 176.000 -0.158 0.000 0.970 3078 Q CA 1.280 56.985 55.803 -0.164 0.000 0.876 3078 Q CB -0.011 28.635 28.738 -0.153 0.000 0.935 3078 Q HN 0.462 nan 8.270 nan 0.000 0.455 3079 V N 0.317 120.150 119.914 -0.134 0.000 2.446 3079 V HA -0.177 3.943 4.120 -0.000 0.000 0.244 3079 V C 2.243 178.268 176.094 -0.115 0.000 1.039 3079 V CA 1.028 63.257 62.300 -0.119 0.000 1.045 3079 V CB -0.525 31.245 31.823 -0.089 0.000 0.681 3079 V HN 0.212 nan 8.190 nan 0.000 0.459 3080 I N 1.274 121.771 120.570 -0.121 0.000 2.264 3080 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 3080 I C 2.737 178.778 176.117 -0.126 0.000 1.111 3080 I CA 1.513 62.740 61.300 -0.122 0.000 1.382 3080 I CB -0.710 37.191 38.000 -0.166 0.000 1.060 3080 I HN 0.276 nan 8.210 nan 0.000 0.418 3081 A N 0.997 123.731 122.820 -0.142 0.000 1.865 3081 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 3081 A C 2.279 179.793 177.584 -0.116 0.000 1.191 3081 A CA 1.992 53.951 52.037 -0.131 0.000 0.623 3081 A CB -0.852 18.062 19.000 -0.142 0.000 0.826 3081 A HN 0.437 nan 8.150 nan 0.000 0.444 3082 A N -1.338 121.404 122.820 -0.130 0.000 2.359 3082 A HA 0.605 4.925 4.320 -0.000 0.000 0.240 3082 A C 1.689 179.212 177.584 -0.102 0.000 1.306 3082 A CA 0.998 52.959 52.037 -0.128 0.000 0.898 3082 A CB -0.628 18.269 19.000 -0.172 0.000 0.956 3082 A HN 0.844 nan 8.150 nan 0.000 0.497 3083 A N -1.145 121.621 122.820 -0.089 0.000 1.920 3083 A HA 0.123 4.443 4.320 -0.000 0.000 0.209 3083 A C 1.904 179.450 177.584 -0.062 0.000 1.229 3083 A CA 0.993 52.988 52.037 -0.071 0.000 0.671 3083 A CB -0.314 18.646 19.000 -0.066 0.000 0.886 3083 A HN 0.367 nan 8.150 nan 0.000 0.461 3084 Q N -0.089 119.671 119.800 -0.067 0.000 2.268 3084 Q HA -0.162 4.178 4.340 -0.000 0.000 0.210 3084 Q C 1.964 177.934 176.000 -0.050 0.000 0.988 3084 Q CA 1.677 57.445 55.803 -0.058 0.000 0.883 3084 Q CB -0.316 28.382 28.738 -0.067 0.000 0.911 3084 Q HN 0.505 nan 8.270 nan 0.000 0.430 3085 R N -0.132 120.334 120.500 -0.057 0.000 2.280 3085 R HA 0.037 4.377 4.340 -0.000 0.000 0.207 3085 R C 0.001 176.277 176.300 -0.039 0.000 1.043 3085 R CA 0.799 56.869 56.100 -0.049 0.000 1.006 3085 R CB 0.334 30.597 30.300 -0.063 0.000 0.885 3085 R HN 0.116 nan 8.270 nan 0.000 0.467 3086 E N -1.642 118.533 120.200 -0.041 0.000 3.832 3086 E HA 0.214 4.564 4.350 -0.000 0.000 0.250 3086 E C 0.028 176.610 176.600 -0.031 0.000 1.215 3086 E CA 0.211 56.591 56.400 -0.033 0.000 1.179 3086 E CB 0.752 30.432 29.700 -0.034 0.000 1.270 3086 E HN 0.292 nan 8.360 nan 0.000 0.405 3087 G N 1.833 110.615 108.800 -0.029 0.000 4.236 3087 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.222 3087 G HA3 -0.391 3.569 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 0.217 45.302 45.100 -0.026 0.000 0.966 3087 G HN 0.328 nan 8.290 nan 0.000 0.624 3088 K N 3.292 123.674 120.400 -0.030 0.000 2.392 3088 K HA 0.019 4.339 4.320 -0.000 0.000 0.259 3088 K C 0.904 177.484 176.600 -0.032 0.000 1.141 3088 K CA 1.562 57.830 56.287 -0.031 0.000 1.208 3088 K CB -0.792 31.687 32.500 -0.036 0.000 0.786 3088 K HN 0.879 nan 8.250 nan 0.000 0.498 3089 T N -0.097 114.441 114.554 -0.027 0.000 2.913 3089 T HA 0.411 4.761 4.350 -0.000 0.000 0.287 3089 T C 0.316 175.001 174.700 -0.025 0.000 1.008 3089 T CA -0.921 61.163 62.100 -0.026 0.000 1.067 3089 T CB 1.218 70.073 68.868 -0.021 0.000 0.996 3089 T HN 0.560 nan 8.240 nan 0.000 0.513 3090 C N 1.624 120.910 119.300 -0.023 0.000 2.547 3090 C HA 0.896 5.355 4.460 -0.000 0.000 0.313 3090 C C 0.273 175.266 174.990 0.005 0.000 1.191 3090 C CA -0.540 58.469 59.018 -0.015 0.000 1.474 3090 C CB 0.727 28.449 27.740 -0.029 0.000 2.081 3090 C HN 1.227 nan 8.230 nan 0.000 0.476 3091 A N 2.255 125.087 122.820 0.019 0.000 2.401 3091 A HA 0.905 5.225 4.320 -0.000 0.000 0.310 3091 A C -1.356 176.291 177.584 0.104 0.000 1.075 3091 A CA -0.298 51.766 52.037 0.046 0.000 0.746 3091 A CB 1.092 20.096 19.000 0.007 0.000 1.277 3091 A HN 0.882 nan 8.150 nan 0.000 0.425 3092 F N 3.845 123.749 119.950 -0.078 0.000 2.771 3092 F HA 0.462 4.989 4.527 -0.000 0.000 0.365 3092 F C -0.863 174.884 175.800 -0.089 0.000 1.169 3092 F CA -1.179 56.769 58.000 -0.087 0.000 1.093 3092 F CB 0.907 39.861 39.000 -0.076 0.000 1.363 3092 F HN 0.398 nan 8.300 nan 0.000 0.496 3093 I N 4.309 124.637 120.570 -0.403 0.000 2.406 3093 I HA 0.068 4.238 4.170 -0.000 0.000 0.293 3093 I C 0.217 175.996 176.117 -0.563 0.000 1.101 3093 I CA 0.229 61.307 61.300 -0.369 0.000 1.334 3093 I CB 0.221 38.054 38.000 -0.277 0.000 1.421 3093 I HN 0.542 nan 8.210 nan 0.000 0.513 3094 D N 5.365 125.482 120.400 -0.473 0.000 3.110 3094 D HA 0.385 5.025 4.640 -0.000 0.000 0.254 3094 D C 1.408 177.480 176.300 -0.381 0.000 1.283 3094 D CA -0.119 53.588 54.000 -0.489 0.000 0.944 3094 D CB 0.718 41.345 40.800 -0.289 0.000 1.066 3094 D HN 0.596 nan 8.370 nan 0.000 0.496 3095 A N 1.202 123.832 122.820 -0.317 0.000 1.927 3095 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 3095 A C 1.976 179.438 177.584 -0.203 0.000 1.185 3095 A CA 1.268 53.159 52.037 -0.244 0.000 0.639 3095 A CB -0.300 18.623 19.000 -0.129 0.000 0.820 3095 A HN 0.475 nan 8.150 nan 0.000 0.451 3096 E N -1.642 118.480 120.200 -0.131 0.000 2.338 3096 E HA -0.135 4.215 4.350 -0.000 0.000 0.197 3096 E C -0.221 176.443 176.600 0.106 0.000 1.007 3096 E CA 0.855 57.256 56.400 0.003 0.000 0.849 3096 E CB -0.244 29.460 29.700 0.005 0.000 0.774 3096 E HN 0.832 nan 8.360 nan 0.000 0.506 3097 H N -1.884 117.182 119.070 -0.006 0.000 2.862 3097 H HA -0.199 4.357 4.556 -0.000 0.000 0.290 3097 H C 0.488 175.840 175.328 0.041 0.000 1.211 3097 H CA 0.260 56.318 56.048 0.017 0.000 1.140 3097 H CB -1.639 28.131 29.762 0.013 0.000 1.341 3097 H HN 0.294 nan 8.280 nan 0.000 0.392 3098 A N 0.639 123.530 122.820 0.117 0.000 3.293 3098 A HA 0.643 4.963 4.320 -0.000 0.000 0.163 3098 A C 0.806 178.482 177.584 0.152 0.000 2.052 3098 A CA -0.110 52.004 52.037 0.128 0.000 1.062 3098 A CB -0.157 18.916 19.000 0.121 0.000 1.908 3098 A HN 1.189 nan 8.150 nan 0.000 0.790 3099 L N -1.613 119.718 121.223 0.181 0.000 3.089 3099 L HA -0.150 4.190 4.340 -0.000 0.000 0.511 3099 L C -1.144 175.805 176.870 0.131 0.000 1.002 3099 L CA 0.823 55.764 54.840 0.169 0.000 1.246 3099 L CB -1.323 40.880 42.059 0.240 0.000 1.087 3099 L HN 0.634 nan 8.230 nan 0.000 0.591 3100 D N 7.499 127.986 120.400 0.144 0.000 2.456 3100 D HA 0.407 5.047 4.640 -0.000 0.000 0.219 3100 D C -1.279 175.082 176.300 0.102 0.000 1.126 3100 D CA -1.828 52.253 54.000 0.136 0.000 0.890 3100 D CB 1.052 41.958 40.800 0.178 0.000 1.025 3100 D HN 0.497 nan 8.370 nan 0.000 0.511 3101 P HA -0.249 nan 4.420 nan 0.000 0.217 3101 P C 1.798 179.117 177.300 0.031 0.000 1.158 3101 P CA 0.897 64.010 63.100 0.022 0.000 0.887 3101 P CB 0.304 32.020 31.700 0.025 0.000 0.792 3102 I N -0.658 119.947 120.570 0.060 0.000 2.065 3102 I HA -0.314 3.856 4.170 -0.000 0.000 0.236 3102 I C 2.678 178.867 176.117 0.120 0.000 1.028 3102 I CA 1.782 63.126 61.300 0.073 0.000 1.299 3102 I CB -2.088 35.955 38.000 0.072 0.000 1.015 3102 I HN 0.009 nan 8.210 nan 0.000 0.396 3103 Y N 1.592 121.887 120.300 -0.009 0.000 2.096 3103 Y HA -0.373 4.177 4.550 -0.000 0.000 0.278 3103 Y C 2.709 178.586 175.900 -0.038 0.000 1.192 3103 Y CA 1.962 60.053 58.100 -0.015 0.000 1.143 3103 Y CB -0.065 38.387 38.460 -0.013 0.000 0.963 3103 Y HN 0.233 nan 8.280 nan 0.000 0.505 3104 A N 0.540 123.313 122.820 -0.079 0.000 1.892 3104 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 3104 A C 2.253 179.753 177.584 -0.141 0.000 1.188 3104 A CA 2.048 53.957 52.037 -0.214 0.000 0.631 3104 A CB -0.956 17.928 19.000 -0.194 0.000 0.822 3104 A HN 0.592 nan 8.150 nan 0.000 0.447 3105 R N -0.196 120.269 120.500 -0.059 0.000 2.083 3105 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 3105 R C 2.106 178.390 176.300 -0.026 0.000 1.137 3105 R CA 1.914 57.991 56.100 -0.038 0.000 0.951 3105 R CB -0.263 30.033 30.300 -0.007 0.000 0.851 3105 R HN 0.543 nan 8.270 nan 0.000 0.434 3106 K N 0.118 120.528 120.400 0.016 0.000 2.281 3106 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 3106 K C 1.951 178.558 176.600 0.012 0.000 1.046 3106 K CA 0.988 57.305 56.287 0.051 0.000 0.938 3106 K CB -0.033 32.553 32.500 0.144 0.000 0.737 3106 K HN 0.234 nan 8.250 nan 0.000 0.458 3107 L N -0.940 120.238 121.223 -0.076 0.000 2.270 3107 L HA 0.018 4.358 4.340 -0.000 0.000 0.210 3107 L C 1.104 177.914 176.870 -0.100 0.000 1.104 3107 L CA 0.748 55.515 54.840 -0.122 0.000 0.804 3107 L CB 0.380 42.281 42.059 -0.263 0.000 0.937 3107 L HN 0.435 nan 8.230 nan 0.000 0.450 3108 G N -0.684 108.061 108.800 -0.092 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 -0.200 174.647 174.900 -0.088 0.000 1.041 3108 G CA -0.289 44.768 45.100 -0.072 0.000 0.714 3108 G HN -0.016 nan 8.290 nan 0.000 0.492 3109 V N 0.331 120.180 119.914 -0.109 0.000 2.863 3109 V HA 0.529 4.649 4.120 -0.000 0.000 0.307 3109 V C 0.339 176.383 176.094 -0.083 0.000 1.061 3109 V CA -0.811 61.420 62.300 -0.115 0.000 1.024 3109 V CB 1.834 33.560 31.823 -0.163 0.000 1.049 3109 V HN 0.258 nan 8.190 nan 0.000 0.471 3110 D N 1.988 122.344 120.400 -0.074 0.000 2.374 3110 D HA 0.162 4.802 4.640 -0.000 0.000 0.240 3110 D C 0.913 177.180 176.300 -0.055 0.000 1.229 3110 D CA -0.283 53.685 54.000 -0.053 0.000 0.895 3110 D CB 0.978 41.752 40.800 -0.043 0.000 1.046 3110 D HN 0.280 nan 8.370 nan 0.000 0.498 3111 I N 3.029 123.570 120.570 -0.048 0.000 2.361 3111 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 3111 I C 1.312 177.411 176.117 -0.030 0.000 1.133 3111 I CA 1.181 62.454 61.300 -0.045 0.000 1.413 3111 I CB -0.694 37.287 38.000 -0.031 0.000 1.073 3111 I HN 0.345 nan 8.210 nan 0.000 0.424 3112 D N -0.346 120.040 120.400 -0.023 0.000 2.333 3112 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 3112 D C 1.285 177.576 176.300 -0.015 0.000 0.984 3112 D CA 0.454 54.445 54.000 -0.015 0.000 0.873 3112 D CB -0.152 40.641 40.800 -0.011 0.000 0.935 3112 D HN 0.306 nan 8.370 nan 0.000 0.521 3113 N N 0.653 119.340 118.700 -0.022 0.000 2.321 3113 N HA 0.088 4.828 4.740 -0.000 0.000 0.242 3113 N C -0.452 175.043 175.510 -0.025 0.000 1.141 3113 N CA 0.030 53.068 53.050 -0.021 0.000 0.864 3113 N CB 1.053 39.526 38.487 -0.024 0.000 1.100 3113 N HN 0.121 nan 8.380 nan 0.000 0.510 3114 L N 2.058 123.266 121.223 -0.025 0.000 2.581 3114 L HA 0.423 4.763 4.340 -0.000 0.000 0.241 3114 L C -0.988 175.884 176.870 0.003 0.000 1.265 3114 L CA -0.291 54.535 54.840 -0.023 0.000 0.954 3114 L CB 0.022 42.047 42.059 -0.058 0.000 1.269 3114 L HN -0.005 nan 8.230 nan 0.000 0.475 3115 L N 3.477 124.703 121.223 0.006 0.000 2.418 3115 L HA 0.280 4.620 4.340 -0.000 0.000 0.274 3115 L C 0.320 177.206 176.870 0.026 0.000 1.135 3115 L CA -0.099 54.748 54.840 0.012 0.000 0.870 3115 L CB 0.493 42.554 42.059 0.003 0.000 1.154 3115 L HN 0.614 nan 8.230 nan 0.000 0.462 3116 C N 0.612 119.934 119.300 0.036 0.000 3.080 3116 C HA 0.924 5.384 4.460 -0.000 0.000 0.307 3116 C C 0.022 175.022 174.990 0.017 0.000 1.311 3116 C CA -0.927 58.122 59.018 0.051 0.000 1.533 3116 C CB 1.436 29.259 27.740 0.138 0.000 1.970 3116 C HN 0.776 nan 8.230 nan 0.000 0.467 3117 S N 0.472 116.160 115.700 -0.019 0.000 2.566 3117 S HA 0.679 5.149 4.470 -0.000 0.000 0.298 3117 S C -1.043 173.502 174.600 -0.091 0.000 1.083 3117 S CA -0.477 57.694 58.200 -0.048 0.000 0.978 3117 S CB 1.445 64.607 63.200 -0.064 0.000 1.073 3117 S HN 0.852 nan 8.310 nan 0.000 0.491 3118 Q N 1.095 120.845 119.800 -0.084 0.000 2.851 3118 Q HA 0.312 4.652 4.340 -0.000 0.000 0.331 3118 Q C -2.568 173.357 176.000 -0.124 0.000 0.979 3118 Q CA -1.547 54.160 55.803 -0.161 0.000 0.955 3118 Q CB 0.625 29.321 28.738 -0.070 0.000 1.298 3118 Q HN 0.509 nan 8.270 nan 0.000 0.432 3119 P HA -0.017 nan 4.420 nan 0.000 0.269 3119 P C 0.246 177.551 177.300 0.008 0.000 1.217 3119 P CA 0.002 63.070 63.100 -0.054 0.000 0.783 3119 P CB 1.034 32.693 31.700 -0.068 0.000 0.898 3120 D N -0.938 119.485 120.400 0.038 0.000 2.290 3120 D HA -0.013 4.627 4.640 -0.000 0.000 0.224 3120 D C 0.717 177.048 176.300 0.052 0.000 0.967 3120 D CA 1.384 55.426 54.000 0.069 0.000 0.893 3120 D CB -0.157 40.672 40.800 0.048 0.000 1.037 3120 D HN 0.492 nan 8.370 nan 0.000 0.477 3121 T N -2.709 111.862 114.554 0.028 0.000 2.940 3121 T HA 0.524 4.874 4.350 -0.000 0.000 0.288 3121 T C 1.425 176.135 174.700 0.016 0.000 1.033 3121 T CA -0.356 61.758 62.100 0.024 0.000 1.033 3121 T CB 1.968 70.848 68.868 0.019 0.000 1.079 3121 T HN -0.014 nan 8.240 nan 0.000 0.496 3122 G N 0.496 109.308 108.800 0.020 0.000 2.476 3122 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 3122 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 3122 G C 1.230 176.144 174.900 0.023 0.000 1.164 3122 G CA 0.781 45.895 45.100 0.022 0.000 0.768 3122 G HN 0.857 nan 8.290 nan 0.000 0.560 3123 E N -0.210 120.003 120.200 0.021 0.000 2.031 3123 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 3123 E C 2.480 179.089 176.600 0.016 0.000 0.994 3123 E CA 1.098 57.511 56.400 0.022 0.000 0.800 3123 E CB -0.264 29.447 29.700 0.019 0.000 0.752 3123 E HN 0.592 nan 8.360 nan 0.000 0.447 3124 Q N 0.415 120.221 119.800 0.010 0.000 2.047 3124 Q HA -0.289 4.051 4.340 -0.000 0.000 0.211 3124 Q C 2.140 178.137 176.000 -0.005 0.000 1.005 3124 Q CA 2.141 57.945 55.803 0.003 0.000 0.866 3124 Q CB -0.232 28.507 28.738 0.001 0.000 0.938 3124 Q HN 0.253 nan 8.270 nan 0.000 0.414 3125 A N 0.652 123.464 122.820 -0.012 0.000 1.873 3125 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 3125 A C 2.102 179.679 177.584 -0.012 0.000 1.193 3125 A CA 1.736 53.756 52.037 -0.029 0.000 0.629 3125 A CB -1.027 17.949 19.000 -0.039 0.000 0.826 3125 A HN 0.491 nan 8.150 nan 0.000 0.447 3126 L N -1.242 119.992 121.223 0.020 0.000 1.956 3126 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 3126 L C 2.638 179.526 176.870 0.030 0.000 1.073 3126 L CA 2.058 56.925 54.840 0.046 0.000 0.762 3126 L CB -0.513 41.585 42.059 0.065 0.000 0.889 3126 L HN 0.367 nan 8.230 nan 0.000 0.433 3127 E N -0.333 119.881 120.200 0.022 0.000 2.401 3127 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 3127 E C 1.928 178.531 176.600 0.005 0.000 1.023 3127 E CA 0.599 57.008 56.400 0.016 0.000 0.859 3127 E CB -0.035 29.674 29.700 0.015 0.000 0.780 3127 E HN 0.434 nan 8.360 nan 0.000 0.523 3128 I N -0.223 120.344 120.570 -0.005 0.000 2.235 3128 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 3128 I C 2.258 178.362 176.117 -0.020 0.000 1.085 3128 I CA 0.989 62.279 61.300 -0.016 0.000 1.378 3128 I CB -0.227 37.756 38.000 -0.028 0.000 1.076 3128 I HN 0.346 nan 8.210 nan 0.000 0.415 3129 C N -0.627 118.656 119.300 -0.028 0.000 2.446 3129 C HA -0.093 4.367 4.460 -0.000 0.000 0.279 3129 C C 2.451 177.433 174.990 -0.013 0.000 1.366 3129 C CA 0.143 59.138 59.018 -0.037 0.000 1.763 3129 C CB -0.936 26.758 27.740 -0.077 0.000 1.929 3129 C HN 0.496 nan 8.230 nan 0.000 0.509 3130 D N 2.194 122.598 120.400 0.006 0.000 2.106 3130 D HA -0.127 4.513 4.640 -0.000 0.000 0.191 3130 D C 2.296 178.599 176.300 0.005 0.000 0.997 3130 D CA 2.425 56.434 54.000 0.016 0.000 0.834 3130 D CB -0.396 40.419 40.800 0.024 0.000 0.956 3130 D HN 0.542 nan 8.370 nan 0.000 0.448 3131 A N -0.253 122.567 122.820 0.001 0.000 2.216 3131 A HA 0.015 4.335 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 0.535 52.570 52.037 -0.002 0.000 0.725 3131 A CB -0.385 18.613 19.000 -0.002 0.000 0.784 3131 A HN 0.391 nan 8.150 nan 0.000 0.472 3132 L N -2.004 119.212 121.223 -0.012 0.000 2.513 3132 L HA 0.118 4.458 4.340 -0.000 0.000 0.222 3132 L C 2.684 179.545 176.870 -0.016 0.000 1.096 3132 L CA 0.712 55.543 54.840 -0.016 0.000 0.857 3132 L CB -0.346 41.699 42.059 -0.024 0.000 1.026 3132 L HN 0.375 nan 8.230 nan 0.000 0.469 3133 A N 0.746 123.559 122.820 -0.012 0.000 1.929 3133 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 3133 A C 2.341 179.920 177.584 -0.008 0.000 1.176 3133 A CA 0.940 52.971 52.037 -0.009 0.000 0.628 3133 A CB -0.216 18.783 19.000 -0.002 0.000 0.816 3133 A HN 0.299 nan 8.150 nan 0.000 0.444 3134 R N -0.264 120.233 120.500 -0.005 0.000 2.153 3134 R HA 0.084 4.424 4.340 -0.000 0.000 0.218 3134 R C 0.790 177.087 176.300 -0.006 0.000 1.072 3134 R CA 0.712 56.810 56.100 -0.005 0.000 0.990 3134 R CB -0.216 30.083 30.300 -0.002 0.000 0.889 3134 R HN 0.278 nan 8.270 nan 0.000 0.452 3135 S N 1.361 117.056 115.700 -0.008 0.000 3.613 3135 S HA 0.122 4.592 4.470 -0.000 0.000 0.220 3135 S C 0.882 175.476 174.600 -0.010 0.000 1.261 3135 S CA 0.337 58.532 58.200 -0.008 0.000 1.143 3135 S CB -0.652 62.542 63.200 -0.009 0.000 1.315 3135 S HN 0.635 nan 8.310 nan 0.000 0.450 3136 G N 2.116 110.911 108.800 -0.009 0.000 2.672 3136 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.324 3136 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.324 3136 G C 0.364 175.257 174.900 -0.012 0.000 1.286 3136 G CA -0.016 45.078 45.100 -0.010 0.000 1.004 3136 G HN 1.145 nan 8.290 nan 0.000 0.548 3137 A N -0.318 122.494 122.820 -0.012 0.000 3.078 3137 A HA 0.600 4.920 4.320 -0.000 0.000 0.279 3137 A C 0.108 177.682 177.584 -0.015 0.000 1.594 3137 A CA 0.299 52.327 52.037 -0.014 0.000 1.301 3137 A CB 0.020 19.012 19.000 -0.014 0.000 1.162 3137 A HN 1.413 nan 8.150 nan 0.000 0.585 3138 V N 1.962 121.867 119.914 -0.016 0.000 2.318 3138 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 3138 V C 0.319 176.401 176.094 -0.021 0.000 1.030 3138 V CA -0.279 62.010 62.300 -0.018 0.000 0.844 3138 V CB 1.021 32.834 31.823 -0.017 0.000 1.015 3138 V HN 0.718 nan 8.190 nan 0.000 0.460 3139 D N 2.567 122.954 120.400 -0.023 0.000 2.323 3139 D HA 0.111 4.751 4.640 -0.000 0.000 0.209 3139 D C 0.197 176.479 176.300 -0.029 0.000 0.973 3139 D CA 0.984 54.969 54.000 -0.026 0.000 0.874 3139 D CB 1.414 42.198 40.800 -0.026 0.000 0.930 3139 D HN 0.365 nan 8.370 nan 0.000 0.521 3140 V N 0.645 120.541 119.914 -0.030 0.000 3.023 3140 V HA 0.328 4.448 4.120 -0.000 0.000 0.294 3140 V C -1.801 174.273 176.094 -0.033 0.000 1.324 3140 V CA -0.726 61.554 62.300 -0.035 0.000 0.979 3140 V CB 2.365 34.166 31.823 -0.037 0.000 1.093 3140 V HN -0.179 nan 8.190 nan 0.000 0.434 3141 I N 5.788 126.328 120.570 -0.050 0.000 2.498 3141 I HA 0.609 4.779 4.170 -0.000 0.000 0.290 3141 I C -0.783 175.277 176.117 -0.096 0.000 1.032 3141 I CA -0.969 60.290 61.300 -0.067 0.000 1.073 3141 I CB 2.160 40.097 38.000 -0.105 0.000 1.251 3141 I HN 0.317 nan 8.210 nan 0.000 0.426 3142 V N 6.507 126.395 119.914 -0.044 0.000 2.448 3142 V HA 0.371 4.491 4.120 -0.000 0.000 0.295 3142 V C -0.211 175.743 176.094 -0.234 0.000 1.025 3142 V CA -0.732 61.534 62.300 -0.057 0.000 0.859 3142 V CB 2.053 33.995 31.823 0.197 0.000 0.988 3142 V HN 0.478 nan 8.190 nan 0.000 0.431 3143 V N 1.185 120.897 119.914 -0.337 0.000 2.311 3143 V HA 0.612 4.732 4.120 -0.000 0.000 0.275 3143 V C -0.656 175.281 176.094 -0.262 0.000 1.022 3143 V CA -0.473 61.598 62.300 -0.382 0.000 0.830 3143 V CB 1.281 32.788 31.823 -0.526 0.000 1.012 3143 V HN 0.808 nan 8.190 nan 0.000 0.452 3144 D N 3.381 123.570 120.400 -0.353 0.000 2.454 3144 D HA 0.626 5.266 4.640 -0.000 0.000 0.247 3144 D C -0.582 175.602 176.300 -0.194 0.000 1.129 3144 D CA 0.341 54.195 54.000 -0.242 0.000 0.877 3144 D CB 1.741 42.337 40.800 -0.340 0.000 1.082 3144 D HN 0.740 nan 8.370 nan 0.000 0.537 3145 S N 2.215 117.867 115.700 -0.080 0.000 2.579 3145 S HA 0.249 4.719 4.470 -0.000 0.000 0.272 3145 S C 1.076 175.702 174.600 0.043 0.000 1.141 3145 S CA -0.708 57.487 58.200 -0.008 0.000 0.843 3145 S CB 1.345 64.558 63.200 0.022 0.000 1.122 3145 S HN 0.090 nan 8.310 nan 0.000 0.468 3146 V N 3.127 123.108 119.914 0.112 0.000 2.495 3146 V HA -0.309 3.811 4.120 -0.000 0.000 0.260 3146 V C 2.712 178.845 176.094 0.064 0.000 1.097 3146 V CA 2.699 65.071 62.300 0.120 0.000 1.105 3146 V CB -1.787 30.110 31.823 0.124 0.000 0.678 3146 V HN 0.908 nan 8.190 nan 0.000 0.469 3147 A N 0.476 123.326 122.820 0.051 0.000 1.859 3147 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 3147 A C 2.234 179.837 177.584 0.032 0.000 1.242 3147 A CA 2.588 54.647 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 0.858 nan 8.150 nan 0.000 0.455 3148 A N -1.801 121.037 122.820 0.030 0.000 2.247 3148 A HA 0.345 4.665 4.320 -0.000 0.000 0.205 3148 A C 0.807 178.409 177.584 0.030 0.000 1.261 3148 A CA 0.571 52.628 52.037 0.033 0.000 0.853 3148 A CB -0.492 18.535 19.000 0.044 0.000 0.793 3148 A HN 0.350 nan 8.150 nan 0.000 0.487 3149 L N 0.840 122.082 121.223 0.031 0.000 2.984 3149 L HA 0.150 4.490 4.340 -0.000 0.000 0.246 3149 L C 0.985 177.870 176.870 0.025 0.000 1.268 3149 L CA 0.404 55.263 54.840 0.032 0.000 1.054 3149 L CB -0.141 41.947 42.059 0.048 0.000 1.393 3149 L HN 0.344 nan 8.230 nan 0.000 0.532 3150 T N -2.140 112.427 114.554 0.020 0.000 2.729 3150 T HA 0.553 4.903 4.350 -0.000 0.000 0.296 3150 T C -1.593 173.116 174.700 0.015 0.000 0.928 3150 T CA -1.445 60.663 62.100 0.014 0.000 1.045 3150 T CB 0.336 69.209 68.868 0.010 0.000 0.902 3150 T HN -0.001 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 0.623 4.943 4.320 -0.000 0.000 0.205 3167 A C 1.657 179.236 177.584 -0.008 0.000 1.261 3167 A CA 1.428 53.464 52.037 -0.002 0.000 0.853 3167 A CB -0.226 18.774 19.000 -0.000 0.000 0.793 3167 A HN 1.085 nan 8.150 nan 0.000 0.487 3168 A N -1.479 121.334 122.820 -0.012 0.000 2.533 3168 A HA 0.247 4.567 4.320 -0.000 0.000 0.180 3168 A C 1.746 179.318 177.584 -0.020 0.000 1.566 3168 A CA 0.143 52.167 52.037 -0.021 0.000 1.153 3168 A CB 0.159 19.143 19.000 -0.025 0.000 1.462 3168 A HN 0.354 nan 8.150 nan 0.000 0.523 3169 R N -0.445 120.047 120.500 -0.013 0.000 2.119 3169 R HA 0.090 4.430 4.340 -0.000 0.000 0.222 3169 R C 2.139 178.438 176.300 -0.003 0.000 1.088 3169 R CA 1.386 57.479 56.100 -0.011 0.000 0.984 3169 R CB -0.276 30.019 30.300 -0.009 0.000 0.884 3169 R HN 0.625 nan 8.270 nan 0.000 0.447 3170 M N 0.176 119.777 119.600 0.001 0.000 2.117 3170 M HA -0.166 4.314 4.480 -0.000 0.000 0.262 3170 M C 1.839 178.148 176.300 0.015 0.000 1.065 3170 M CA 1.520 56.826 55.300 0.010 0.000 1.114 3170 M CB 0.145 32.752 32.600 0.013 0.000 1.361 3170 M HN 0.099 nan 8.290 nan 0.000 0.408 3171 M N -0.679 118.923 119.600 0.004 0.000 2.062 3171 M HA -0.144 4.336 4.480 -0.000 0.000 0.259 3171 M C 2.435 178.739 176.300 0.005 0.000 1.076 3171 M CA 1.773 57.071 55.300 -0.003 0.000 1.122 3171 M CB -1.549 31.025 32.600 -0.043 0.000 1.312 3171 M HN 0.393 nan 8.290 nan 0.000 0.412 3172 S N -0.030 115.661 115.700 -0.014 0.000 2.461 3172 S HA -0.242 4.228 4.470 -0.000 0.000 0.246 3172 S C 1.725 176.339 174.600 0.024 0.000 1.007 3172 S CA 1.662 59.852 58.200 -0.018 0.000 0.976 3172 S CB -0.103 63.070 63.200 -0.045 0.000 0.763 3172 S HN 0.419 nan 8.310 nan 0.000 0.508 3173 Q N 1.010 120.828 119.800 0.029 0.000 1.858 3173 Q HA 0.213 4.553 4.340 -0.000 0.000 0.224 3173 Q C 2.325 178.364 176.000 0.065 0.000 0.980 3173 Q CA 1.845 57.673 55.803 0.041 0.000 0.868 3173 Q CB -0.735 28.021 28.738 0.031 0.000 0.920 3173 Q HN 0.553 nan 8.270 nan 0.000 0.427 3174 A N -0.441 122.420 122.820 0.068 0.000 2.209 3174 A HA -0.088 4.232 4.320 -0.000 0.000 0.212 3174 A C 1.852 179.505 177.584 0.116 0.000 1.158 3174 A CA 1.077 53.163 52.037 0.083 0.000 0.742 3174 A CB -0.509 18.540 19.000 0.082 0.000 0.790 3174 A HN 0.517 nan 8.150 nan 0.000 0.472 3175 M N -0.585 119.095 119.600 0.133 0.000 2.229 3175 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 3175 M C 2.022 178.507 176.300 0.309 0.000 1.063 3175 M CA 1.309 56.736 55.300 0.212 0.000 1.114 3175 M CB -0.352 32.361 32.600 0.188 0.000 1.387 3175 M HN 0.356 nan 8.290 nan 0.000 0.420 3176 R N -0.278 120.392 120.500 0.283 0.000 2.115 3176 R HA -0.103 4.237 4.340 -0.000 0.000 0.230 3176 R C 2.074 178.426 176.300 0.087 0.000 1.111 3176 R CA 1.328 57.584 56.100 0.261 0.000 0.976 3176 R CB -0.174 30.244 30.300 0.197 0.000 0.870 3176 R HN 0.395 nan 8.270 nan 0.000 0.445 3177 K N -0.114 120.333 120.400 0.078 0.000 2.098 3177 K HA 0.034 4.354 4.320 -0.000 0.000 0.203 3177 K C 2.060 178.677 176.600 0.028 0.000 1.051 3177 K CA 0.578 56.891 56.287 0.044 0.000 0.957 3177 K CB 0.082 32.611 32.500 0.048 0.000 0.738 3177 K HN 0.061 nan 8.250 nan 0.000 0.447 3178 L N 0.335 121.586 121.223 0.047 0.000 2.376 3178 L HA -0.034 4.306 4.340 -0.000 0.000 0.219 3178 L C 2.169 179.036 176.870 -0.004 0.000 1.133 3178 L CA 0.605 55.470 54.840 0.042 0.000 0.816 3178 L CB -0.191 41.930 42.059 0.102 0.000 0.933 3178 L HN 0.183 nan 8.230 nan 0.000 0.449 3179 A N -0.063 122.719 122.820 -0.063 0.000 1.930 3179 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 3179 A C 2.213 179.724 177.584 -0.121 0.000 1.175 3179 A CA 1.723 53.650 52.037 -0.182 0.000 0.627 3179 A CB -0.735 18.009 19.000 -0.427 0.000 0.815 3179 A HN 0.412 nan 8.150 nan 0.000 0.443 3180 G N -1.623 107.133 108.800 -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 0.914 175.799 174.900 -0.026 0.000 1.116 3180 G CA 0.399 45.471 45.100 -0.047 0.000 0.767 3180 G HN 0.600 nan 8.290 nan 0.000 0.547 3181 N N -0.301 118.388 118.700 -0.019 0.000 2.373 3181 N HA 0.232 4.972 4.740 -0.000 0.000 0.181 3181 N C 1.742 177.244 175.510 -0.012 0.000 1.082 3181 N CA -0.062 52.982 53.050 -0.010 0.000 0.885 3181 N CB 0.277 38.763 38.487 -0.001 0.000 0.977 3181 N HN 0.191 nan 8.380 nan 0.000 0.462 3182 L N 0.282 121.494 121.223 -0.018 0.000 2.200 3182 L HA 0.100 4.440 4.340 -0.000 0.000 0.200 3182 L C 1.819 178.676 176.870 -0.021 0.000 1.072 3182 L CA 0.635 55.464 54.840 -0.017 0.000 0.787 3182 L CB -0.141 41.909 42.059 -0.014 0.000 0.957 3182 L HN -0.054 nan 8.230 nan 0.000 0.459 3183 K N 0.053 120.437 120.400 -0.027 0.000 2.442 3183 K HA -0.250 4.070 4.320 -0.000 0.000 0.199 3183 K C 1.962 178.551 176.600 -0.019 0.000 1.044 3183 K CA 1.061 57.333 56.287 -0.025 0.000 0.941 3183 K CB 0.081 32.562 32.500 -0.031 0.000 0.759 3183 K HN 0.182 nan 8.250 nan 0.000 0.472 3184 Q N -0.712 119.077 119.800 -0.017 0.000 2.107 3184 Q HA 0.059 4.399 4.340 -0.000 0.000 0.195 3184 Q C 1.236 177.229 176.000 -0.013 0.000 0.964 3184 Q CA 1.457 57.252 55.803 -0.014 0.000 0.833 3184 Q CB 0.347 29.078 28.738 -0.012 0.000 0.910 3184 Q HN 0.027 nan 8.270 nan 0.000 0.465 3185 S N 0.399 116.091 115.700 -0.014 0.000 2.556 3185 S HA 0.154 4.624 4.470 -0.000 0.000 0.216 3185 S C 0.259 174.850 174.600 -0.015 0.000 0.970 3185 S CA 0.390 58.582 58.200 -0.013 0.000 0.912 3185 S CB 0.034 63.226 63.200 -0.013 0.000 0.790 3185 S HN 0.515 nan 8.310 nan 0.000 0.504 3186 N N 0.845 119.535 118.700 -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 1.586 54.625 53.050 -0.018 0.000 1.071 3186 N CB -1.920 36.556 38.487 -0.017 0.000 1.040 3186 N HN 0.366 nan 8.380 nan 0.000 0.620 3187 T N 1.106 115.648 114.554 -0.019 0.000 2.777 3187 T HA 0.080 4.430 4.350 -0.000 0.000 0.273 3187 T C 0.388 175.075 174.700 -0.022 0.000 1.016 3187 T CA 0.193 62.281 62.100 -0.022 0.000 1.156 3187 T CB 0.239 69.095 68.868 -0.020 0.000 1.019 3187 T HN 0.264 nan 8.240 nan 0.000 0.503 3188 L N 4.960 126.167 121.223 -0.026 0.000 2.322 3188 L HA 0.722 5.062 4.340 -0.000 0.000 0.279 3188 L C -0.877 175.972 176.870 -0.034 0.000 1.036 3188 L CA -0.569 54.256 54.840 -0.025 0.000 0.807 3188 L CB 1.244 43.287 42.059 -0.027 0.000 1.226 3188 L HN 0.640 nan 8.230 nan 0.000 0.433 3189 L N 5.834 127.043 121.223 -0.024 0.000 2.381 3189 L HA 0.562 4.902 4.340 -0.000 0.000 0.274 3189 L C -1.178 175.666 176.870 -0.043 0.000 0.988 3189 L CA -0.409 54.392 54.840 -0.066 0.000 0.824 3189 L CB 1.780 43.808 42.059 -0.051 0.000 1.263 3189 L HN 0.617 nan 8.230 nan 0.000 0.410 3190 I N 4.084 124.580 120.570 -0.123 0.000 2.382 3190 I HA 0.316 4.486 4.170 -0.000 0.000 0.285 3190 I C -0.864 175.170 176.117 -0.138 0.000 1.007 3190 I CA -0.285 60.983 61.300 -0.054 0.000 1.142 3190 I CB 1.363 39.347 38.000 -0.027 0.000 1.289 3190 I HN 0.348 nan 8.210 nan 0.000 0.453 3191 F N 6.806 126.754 119.950 -0.003 0.000 2.399 3191 F HA 0.559 5.086 4.527 -0.000 0.000 0.334 3191 F C 0.491 176.297 175.800 0.009 0.000 1.097 3191 F CA -0.643 57.357 58.000 0.000 0.000 1.076 3191 F CB 1.333 40.339 39.000 0.010 0.000 1.162 3191 F HN 0.230 nan 8.300 nan 0.000 0.495 3192 I N 0.446 121.133 120.570 0.194 0.000 2.603 3192 I HA 0.660 4.830 4.170 -0.000 0.000 0.300 3192 I C -0.957 175.253 176.117 0.155 0.000 1.017 3192 I CA -0.747 60.641 61.300 0.147 0.000 1.098 3192 I CB 2.091 40.148 38.000 0.096 0.000 1.279 3192 I HN 0.451 nan 8.210 nan 0.000 0.437 3193 N N 2.244 121.040 118.700 0.160 0.000 2.902 3193 N HA 0.447 5.187 4.740 -0.000 0.000 0.268 3193 N C -1.464 174.114 175.510 0.114 0.000 1.450 3193 N CA -0.477 52.656 53.050 0.139 0.000 0.819 3193 N CB 2.294 40.880 38.487 0.166 0.000 1.540 3193 N HN 0.724 nan 8.380 nan 0.000 0.545 3212 G N 0.749 109.537 108.800 -0.021 0.000 2.880 3212 G HA2 0.358 4.318 3.960 -0.000 0.000 0.303 3212 G HA3 0.358 4.318 3.960 -0.000 0.000 0.303 3212 G C 0.073 174.946 174.900 -0.044 0.000 2.853 3212 G CA 0.615 45.697 45.100 -0.030 0.000 0.748 3212 G HN 0.369 nan 8.290 nan 0.000 0.349 3213 N N 1.915 120.596 118.700 -0.031 0.000 2.016 3213 N HA -0.290 4.450 4.740 -0.000 0.000 0.194 3213 N C 2.698 178.190 175.510 -0.029 0.000 1.078 3213 N CA 2.632 55.668 53.050 -0.023 0.000 0.894 3213 N CB -0.181 38.312 38.487 0.011 0.000 1.073 3213 N HN 1.008 nan 8.380 nan 0.000 0.480 3214 A N 1.320 124.136 122.820 -0.007 0.000 1.698 3214 A HA -0.337 3.983 4.320 -0.000 0.000 0.315 3214 A C 2.245 179.811 177.584 -0.028 0.000 3.574 3214 A CA 3.204 55.221 52.037 -0.035 0.000 0.952 3214 A CB -1.871 17.053 19.000 -0.126 0.000 0.759 3214 A HN 0.701 nan 8.150 nan 0.000 0.516 3215 L N -0.125 121.049 121.223 -0.081 0.000 2.119 3215 L HA -0.341 3.999 4.340 -0.000 0.000 0.226 3215 L C 2.303 179.157 176.870 -0.026 0.000 1.093 3215 L CA 3.497 58.283 54.840 -0.091 0.000 0.806 3215 L CB -0.740 41.167 42.059 -0.252 0.000 0.902 3215 L HN 0.646 nan 8.230 nan 0.000 0.444 3216 K N -1.658 118.696 120.400 -0.077 0.000 2.127 3216 K HA -0.280 4.040 4.320 -0.000 0.000 0.212 3216 K C 1.836 178.323 176.600 -0.188 0.000 1.050 3216 K CA 2.588 58.778 56.287 -0.162 0.000 0.929 3216 K CB -0.345 31.958 32.500 -0.328 0.000 0.715 3216 K HN 0.492 nan 8.250 nan 0.000 0.457 3217 F N -1.530 118.463 119.950 0.072 0.000 2.437 3217 F HA 0.068 4.595 4.527 -0.000 0.000 0.288 3217 F C 1.708 177.634 175.800 0.209 0.000 1.085 3217 F CA 0.244 58.309 58.000 0.108 0.000 1.430 3217 F CB -0.200 38.808 39.000 0.013 0.000 1.120 3217 F HN -0.003 nan 8.300 nan 0.000 0.556 3218 Y N 0.428 120.827 120.300 0.165 0.000 2.632 3218 Y HA 0.240 4.790 4.550 -0.000 0.000 0.301 3218 Y C 1.308 177.233 175.900 0.040 0.000 1.172 3218 Y CA -0.519 57.630 58.100 0.082 0.000 1.328 3218 Y CB -0.217 38.269 38.460 0.042 0.000 1.016 3218 Y HN -0.054 nan 8.280 nan 0.000 0.529 3219 A N -0.426 122.489 122.820 0.158 0.000 2.304 3219 A HA 0.291 4.611 4.320 -0.000 0.000 0.271 3219 A C 0.948 178.550 177.584 0.030 0.000 1.091 3219 A CA -0.213 51.860 52.037 0.060 0.000 0.812 3219 A CB 0.641 19.640 19.000 -0.003 0.000 1.056 3219 A HN 0.214 nan 8.150 nan 0.000 0.489 3220 S N -0.812 114.886 115.700 -0.003 0.000 2.512 3220 S HA 0.304 4.774 4.470 -0.000 0.000 0.216 3220 S C -0.031 174.528 174.600 -0.068 0.000 1.006 3220 S CA 0.123 58.309 58.200 -0.025 0.000 0.915 3220 S CB 0.309 63.499 63.200 -0.017 0.000 0.824 3220 S HN 0.517 nan 8.310 nan 0.000 0.497 3221 V N 2.203 122.069 119.914 -0.080 0.000 2.851 3221 V HA 0.464 4.583 4.120 -0.000 0.000 0.307 3221 V C -1.187 174.820 176.094 -0.145 0.000 1.129 3221 V CA -0.752 61.475 62.300 -0.122 0.000 0.932 3221 V CB 2.270 34.036 31.823 -0.096 0.000 1.024 3221 V HN 0.129 nan 8.190 nan 0.000 0.426 3222 R N 4.400 124.769 120.500 -0.219 0.000 2.670 3222 R HA 0.714 5.054 4.340 -0.000 0.000 0.289 3222 R C -1.834 174.286 176.300 -0.300 0.000 0.965 3222 R CA -0.944 54.991 56.100 -0.275 0.000 0.899 3222 R CB 2.289 32.382 30.300 -0.345 0.000 1.173 3222 R HN 0.312 nan 8.270 nan 0.000 0.456 3223 L N 1.810 122.820 121.223 -0.354 0.000 2.362 3223 L HA 0.319 4.659 4.340 -0.000 0.000 0.275 3223 L C -0.446 176.163 176.870 -0.435 0.000 0.998 3223 L CA -0.519 54.150 54.840 -0.284 0.000 0.820 3223 L CB 1.653 43.631 42.059 -0.134 0.000 1.270 3223 L HN 0.536 nan 8.230 nan 0.000 0.415 3224 D N 3.908 124.184 120.400 -0.206 0.000 2.473 3224 D HA 0.292 4.932 4.640 -0.000 0.000 0.226 3224 D C -0.338 176.028 176.300 0.110 0.000 1.089 3224 D CA -0.141 53.910 54.000 0.084 0.000 0.883 3224 D CB 0.833 41.792 40.800 0.265 0.000 1.029 3224 D HN 0.416 nan 8.370 nan 0.000 0.517 3225 I N 2.978 123.626 120.570 0.130 0.000 2.499 3225 I HA 0.449 4.619 4.170 -0.000 0.000 0.296 3225 I C -0.335 175.828 176.117 0.076 0.000 0.992 3225 I CA -0.580 60.767 61.300 0.078 0.000 1.297 3225 I CB 0.715 38.758 38.000 0.072 0.000 1.410 3225 I HN 0.267 nan 8.210 nan 0.000 0.507 3226 R N 5.780 126.293 120.500 0.022 0.000 2.579 3226 R HA 0.301 4.641 4.340 -0.000 0.000 0.260 3226 R C -1.398 174.891 176.300 -0.018 0.000 1.103 3226 R CA -0.821 55.288 56.100 0.015 0.000 0.942 3226 R CB 1.289 31.603 30.300 0.024 0.000 1.251 3226 R HN 0.665 nan 8.270 nan 0.000 0.450 3227 R N 4.856 125.355 120.500 -0.002 0.000 2.254 3227 R HA 0.293 4.633 4.340 -0.000 0.000 0.318 3227 R C 0.473 176.774 176.300 0.002 0.000 1.031 3227 R CA -0.051 56.047 56.100 -0.003 0.000 0.905 3227 R CB 0.526 30.843 30.300 0.028 0.000 1.050 3227 R HN 0.716 nan 8.270 nan 0.000 0.456 3228 I N 0.742 121.307 120.570 -0.008 0.000 4.338 3228 I HA 0.470 4.640 4.170 -0.000 0.000 0.329 3228 I C 0.395 176.515 176.117 0.006 0.000 1.378 3228 I CA -0.192 61.108 61.300 -0.001 0.000 1.170 3228 I CB 1.430 39.425 38.000 -0.008 0.000 1.206 3228 I HN 0.670 nan 8.210 nan 0.000 0.432 3229 G N 1.337 110.144 108.800 0.012 0.000 2.691 3229 G HA2 0.719 4.679 3.960 -0.000 0.000 0.169 3229 G HA3 0.719 4.679 3.960 -0.000 0.000 0.169 3229 G C -0.192 174.723 174.900 0.025 0.000 1.638 3229 G CA 0.124 45.234 45.100 0.016 0.000 0.822 3229 G HN 1.059 nan 8.290 nan 0.000 0.768 3230 A N -1.622 121.218 122.820 0.034 0.000 2.425 3230 A HA 0.357 4.677 4.320 -0.000 0.000 0.683 3230 A C -0.939 176.657 177.584 0.020 0.000 0.139 3230 A CA -0.211 51.844 52.037 0.031 0.000 0.044 3230 A CB -0.937 18.068 19.000 0.009 0.000 3.957 3230 A HN 1.553 nan 8.150 nan 0.000 0.546 3231 V N 3.449 123.374 119.914 0.020 0.000 2.370 3231 V HA 0.555 4.675 4.120 -0.000 0.000 0.283 3231 V C 0.485 176.569 176.094 -0.017 0.000 1.023 3231 V CA -0.356 61.955 62.300 0.018 0.000 0.857 3231 V CB 1.433 33.286 31.823 0.050 0.000 0.985 3231 V HN 0.821 nan 8.190 nan 0.000 0.443 3232 K N 2.857 123.249 120.400 -0.013 0.000 2.118 3232 K HA 0.583 4.903 4.320 -0.000 0.000 0.254 3232 K C -0.284 176.309 176.600 -0.013 0.000 0.961 3232 K CA -0.609 55.663 56.287 -0.025 0.000 0.876 3232 K CB 1.879 34.365 32.500 -0.022 0.000 1.077 3232 K HN 0.641 nan 8.250 nan 0.000 0.440 3233 E N 1.014 121.203 120.200 -0.018 0.000 3.406 3233 E HA 0.168 4.518 4.350 -0.000 0.000 0.210 3233 E C 0.181 176.774 176.600 -0.011 0.000 1.167 3233 E CA -0.187 56.208 56.400 -0.008 0.000 1.132 3233 E CB 0.713 30.410 29.700 -0.004 0.000 1.309 3233 E HN 0.947 nan 8.360 nan 0.000 0.424 3234 G N 1.776 110.569 108.800 -0.012 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 0.849 175.739 174.900 -0.017 0.000 1.450 3234 G CA 0.297 45.389 45.100 -0.013 0.000 0.937 3234 G HN 0.447 nan 8.290 nan 0.000 0.625 3235 E N 0.925 121.113 120.200 -0.021 0.000 2.665 3235 E HA 0.108 4.458 4.350 -0.000 0.000 0.225 3235 E C -0.097 176.482 176.600 -0.035 0.000 0.922 3235 E CA 0.014 56.399 56.400 -0.025 0.000 1.242 3235 E CB 0.528 30.216 29.700 -0.021 0.000 1.197 3235 E HN 0.690 nan 8.360 nan 0.000 0.581 3236 N N 1.286 119.961 118.700 -0.042 0.000 2.419 3236 N HA 0.163 4.903 4.740 -0.000 0.000 0.277 3236 N C -0.064 175.391 175.510 -0.092 0.000 1.006 3236 N CA -0.408 52.605 53.050 -0.062 0.000 0.923 3236 N CB 2.187 40.641 38.487 -0.055 0.000 1.140 3236 N HN -0.200 nan 8.380 nan 0.000 0.488 3237 V N 0.612 120.449 119.914 -0.129 0.000 2.266 3237 V HA 0.072 4.192 4.120 -0.000 0.000 0.240 3237 V C 0.682 176.562 176.094 -0.357 0.000 1.225 3237 V CA -0.143 62.033 62.300 -0.207 0.000 1.237 3237 V CB -0.035 31.668 31.823 -0.200 0.000 1.343 3237 V HN 0.593 nan 8.190 nan 0.000 0.496 3238 V N 3.702 123.449 119.914 -0.277 0.000 3.483 3238 V HA 0.675 4.795 4.120 -0.000 0.000 0.301 3238 V C 1.027 176.989 176.094 -0.220 0.000 1.389 3238 V CA 0.968 63.100 62.300 -0.281 0.000 1.101 3238 V CB 0.073 31.842 31.823 -0.089 0.000 0.971 3238 V HN 0.957 nan 8.190 nan 0.000 0.434 3239 G N -0.995 107.673 108.800 -0.219 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 -1.368 173.693 174.900 0.268 0.000 1.418 3239 G CA -0.399 44.780 45.100 0.132 0.000 0.818 3239 G HN 0.079 nan 8.290 nan 0.000 0.486 3240 S N -0.249 115.639 115.700 0.312 0.000 2.750 3240 S HA 0.357 4.827 4.470 -0.000 0.000 0.276 3240 S C -0.920 173.735 174.600 0.092 0.000 1.165 3240 S CA -0.543 57.784 58.200 0.212 0.000 1.047 3240 S CB 1.740 65.084 63.200 0.241 0.000 1.056 3240 S HN 0.638 nan 8.310 nan 0.000 0.481 3241 E N 2.163 122.389 120.200 0.043 0.000 2.324 3241 E HA 0.400 4.750 4.350 -0.000 0.000 0.271 3241 E C -0.611 175.934 176.600 -0.093 0.000 1.028 3241 E CA 0.318 56.709 56.400 -0.016 0.000 0.890 3241 E CB 0.545 30.245 29.700 -0.000 0.000 1.004 3241 E HN 0.456 nan 8.360 nan 0.000 0.431 3242 T N 5.267 119.677 114.554 -0.241 0.000 2.861 3242 T HA 0.519 4.869 4.350 -0.000 0.000 0.287 3242 T C -0.456 173.974 174.700 -0.449 0.000 1.003 3242 T CA -0.836 61.040 62.100 -0.372 0.000 0.977 3242 T CB 1.185 69.713 68.868 -0.566 0.000 0.996 3242 T HN 0.295 nan 8.240 nan 0.000 0.448 3243 R N 1.767 122.113 120.500 -0.256 0.000 2.439 3243 R HA 0.650 4.990 4.340 -0.000 0.000 0.310 3243 R C -1.485 174.761 176.300 -0.089 0.000 0.955 3243 R CA -0.652 55.356 56.100 -0.154 0.000 0.853 3243 R CB 2.087 32.353 30.300 -0.058 0.000 1.171 3243 R HN 0.379 nan 8.270 nan 0.000 0.449 3244 V N 4.417 124.308 119.914 -0.038 0.000 2.409 3244 V HA 0.302 4.422 4.120 -0.000 0.000 0.291 3244 V C -0.154 175.969 176.094 0.047 0.000 1.020 3244 V CA -0.725 61.594 62.300 0.032 0.000 0.848 3244 V CB 1.847 33.734 31.823 0.107 0.000 0.990 3244 V HN 0.545 nan 8.190 nan 0.000 0.430 3245 K N 3.323 123.749 120.400 0.043 0.000 2.183 3245 K HA 0.513 4.833 4.320 -0.000 0.000 0.274 3245 K C -0.736 175.862 176.600 -0.002 0.000 1.009 3245 K CA -0.594 55.722 56.287 0.048 0.000 0.888 3245 K CB 2.142 34.695 32.500 0.088 0.000 1.078 3245 K HN 0.407 nan 8.250 nan 0.000 0.459 3246 V N 5.327 125.230 119.914 -0.018 0.000 2.370 3246 V HA -0.028 4.092 4.120 -0.000 0.000 0.257 3246 V C 1.139 177.138 176.094 -0.159 0.000 1.064 3246 V CA 0.106 62.348 62.300 -0.097 0.000 0.975 3246 V CB 0.761 32.529 31.823 -0.091 0.000 1.067 3246 V HN 0.618 nan 8.190 nan 0.000 0.485 3247 V N 3.748 123.545 119.914 -0.195 0.000 2.374 3247 V HA 0.146 4.266 4.120 -0.000 0.000 0.241 3247 V C 0.993 176.817 176.094 -0.451 0.000 1.034 3247 V CA 0.668 62.855 62.300 -0.188 0.000 1.037 3247 V CB -0.281 31.508 31.823 -0.055 0.000 0.682 3247 V HN 0.658 nan 8.190 nan 0.000 0.463 3248 K N 1.742 121.865 120.400 -0.462 0.000 2.307 3248 K HA 0.375 4.695 4.320 -0.000 0.000 0.263 3248 K C -1.064 175.314 176.600 -0.370 0.000 0.973 3248 K CA -0.379 55.569 56.287 -0.566 0.000 0.846 3248 K CB 0.796 32.870 32.500 -0.711 0.000 1.100 3248 K HN 0.216 nan 8.250 nan 0.000 0.438 3249 N N 3.997 122.500 118.700 -0.328 0.000 2.690 3249 N HA 0.130 4.870 4.740 -0.000 0.000 0.255 3249 N C -1.068 174.367 175.510 -0.126 0.000 1.195 3249 N CA -0.294 52.633 53.050 -0.204 0.000 0.790 3249 N CB 0.915 39.283 38.487 -0.199 0.000 1.216 3249 N HN 0.513 nan 8.380 nan 0.000 0.528 3250 K N 2.358 122.705 120.400 -0.087 0.000 2.862 3250 K HA 0.214 4.534 4.320 -0.000 0.000 0.229 3250 K C 0.442 177.027 176.600 -0.025 0.000 1.107 3250 K CA -0.008 56.259 56.287 -0.034 0.000 1.222 3250 K CB 0.450 32.947 32.500 -0.005 0.000 1.067 3250 K HN 0.411 nan 8.250 nan 0.000 0.464 3251 I N -0.916 119.632 120.570 -0.037 0.000 4.338 3251 I HA 0.141 4.311 4.170 -0.000 0.000 0.315 3251 I C 0.308 176.413 176.117 -0.019 0.000 1.262 3251 I CA 0.158 61.442 61.300 -0.026 0.000 1.298 3251 I CB 0.912 38.892 38.000 -0.034 0.000 1.257 3251 I HN 0.085 nan 8.210 nan 0.000 0.444 3252 A N -0.185 122.619 122.820 -0.026 0.000 4.642 3252 A HA 0.837 5.157 4.320 -0.000 0.000 0.248 3252 A C -0.920 176.654 177.584 -0.016 0.000 0.987 3252 A CA -0.033 51.996 52.037 -0.014 0.000 0.622 3252 A CB -0.509 18.483 19.000 -0.013 0.000 1.769 3252 A HN 0.094 nan 8.150 nan 0.000 0.864 3253 A N 1.262 124.079 122.820 -0.005 0.000 2.491 3253 A HA 0.597 4.917 4.320 -0.000 0.000 0.261 3253 A C -2.409 175.158 177.584 -0.029 0.000 1.101 3253 A CA -0.756 51.285 52.037 0.008 0.000 0.772 3253 A CB -0.791 18.227 19.000 0.030 0.000 1.043 3253 A HN 0.376 nan 8.150 nan 0.000 0.501 3254 P HA 0.561 nan 4.420 nan 0.000 0.284 3254 P C -0.115 177.120 177.300 -0.108 0.000 1.292 3254 P CA -0.559 62.385 63.100 -0.261 0.000 0.800 3254 P CB 0.050 31.412 31.700 -0.564 0.000 1.188 3255 F N -4.188 115.768 119.950 0.010 0.000 3.006 3255 F HA -0.242 4.285 4.527 -0.000 0.000 0.289 3255 F C 0.526 176.332 175.800 0.011 0.000 0.772 3255 F CA 0.900 58.908 58.000 0.013 0.000 1.162 3255 F CB -2.258 36.747 39.000 0.009 0.000 1.382 3255 F HN 0.185 nan 8.300 nan 0.000 0.406 3256 K N 1.134 121.598 120.400 0.107 0.000 2.098 3256 K HA 0.577 4.897 4.320 -0.000 0.000 0.261 3256 K C 0.353 176.992 176.600 0.065 0.000 0.987 3256 K CA -0.620 55.715 56.287 0.081 0.000 0.916 3256 K CB 1.582 34.113 32.500 0.052 0.000 1.039 3256 K HN 0.426 nan 8.250 nan 0.000 0.455 3257 Q N -0.128 119.712 119.800 0.067 0.000 2.484 3257 Q HA 0.776 5.116 4.340 -0.000 0.000 0.285 3257 Q C -1.763 174.280 176.000 0.072 0.000 1.097 3257 Q CA -1.236 54.607 55.803 0.067 0.000 0.802 3257 Q CB 2.229 31.008 28.738 0.067 0.000 1.444 3257 Q HN 0.557 nan 8.270 nan 0.000 0.429 3258 A N 1.359 124.233 122.820 0.089 0.000 2.486 3258 A HA 0.601 4.921 4.320 -0.000 0.000 0.300 3258 A C -1.428 176.236 177.584 0.134 0.000 1.048 3258 A CA -0.765 51.350 52.037 0.131 0.000 0.696 3258 A CB 1.778 20.881 19.000 0.172 0.000 1.278 3258 A HN 0.760 nan 8.150 nan 0.000 0.405 3259 E N 0.746 121.027 120.200 0.135 0.000 2.227 3259 E HA 0.786 5.136 4.350 -0.000 0.000 0.268 3259 E C -1.233 175.478 176.600 0.184 0.000 0.907 3259 E CA -0.550 55.871 56.400 0.035 0.000 0.786 3259 E CB 2.276 31.986 29.700 0.016 0.000 1.191 3259 E HN 0.728 nan 8.360 nan 0.000 0.411 3260 F N -2.151 117.821 119.950 0.037 0.000 2.807 3260 F HA 0.301 4.828 4.527 -0.000 0.000 0.316 3260 F C -1.395 174.437 175.800 0.052 0.000 1.162 3260 F CA -1.273 56.751 58.000 0.041 0.000 0.910 3260 F CB 0.904 39.921 39.000 0.028 0.000 1.314 3260 F HN 0.174 nan 8.300 nan 0.000 0.454 3261 Q N 1.880 121.874 119.800 0.323 0.000 2.267 3261 Q HA 0.612 4.952 4.340 -0.000 0.000 0.255 3261 Q C -0.961 175.234 176.000 0.325 0.000 0.923 3261 Q CA -0.499 55.444 55.803 0.233 0.000 0.925 3261 Q CB 2.270 31.120 28.738 0.187 0.000 1.195 3261 Q HN 0.586 nan 8.270 nan 0.000 0.417 3262 I N 3.820 124.537 120.570 0.246 0.000 2.354 3262 I HA 0.181 4.351 4.170 -0.000 0.000 0.286 3262 I C -0.898 175.367 176.117 0.247 0.000 1.007 3262 I CA -0.743 60.700 61.300 0.238 0.000 1.167 3262 I CB 0.887 38.995 38.000 0.179 0.000 1.320 3262 I HN 0.329 nan 8.210 nan 0.000 0.458 3263 L N 7.244 128.606 121.223 0.232 0.000 2.265 3263 L HA 0.269 4.609 4.340 -0.000 0.000 0.288 3263 L C -0.367 176.695 176.870 0.320 0.000 1.058 3263 L CA -0.081 54.925 54.840 0.278 0.000 0.809 3263 L CB 0.230 42.411 42.059 0.202 0.000 1.179 3263 L HN 0.330 nan 8.230 nan 0.000 0.429 3264 Y N 3.844 124.214 120.300 0.115 0.000 2.834 3264 Y HA 0.183 4.733 4.550 -0.000 0.000 0.355 3264 Y C 1.538 177.522 175.900 0.140 0.000 1.287 3264 Y CA 0.721 58.896 58.100 0.125 0.000 1.647 3264 Y CB 0.058 38.542 38.460 0.040 0.000 1.221 3264 Y HN 0.870 nan 8.280 nan 0.000 0.519 3265 G N 2.559 111.589 108.800 0.383 0.000 2.132 3265 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.228 3265 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.228 3265 G C 0.413 175.442 174.900 0.216 0.000 1.000 3265 G CA 0.422 45.724 45.100 0.335 0.000 0.693 3265 G HN 0.656 nan 8.290 nan 0.000 0.515 3266 E N -1.540 118.774 120.200 0.189 0.000 2.879 3266 E HA 0.453 4.803 4.350 -0.000 0.000 0.206 3266 E C 1.238 177.893 176.600 0.091 0.000 0.969 3266 E CA 1.149 57.626 56.400 0.128 0.000 1.496 3266 E CB 0.638 30.418 29.700 0.132 0.000 1.454 3266 E HN 1.705 nan 8.360 nan 0.000 0.750 3267 G N 1.068 109.929 108.800 0.102 0.000 2.342 3267 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.220 3267 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.220 3267 G C -0.487 174.457 174.900 0.073 0.000 1.243 3267 G CA -0.379 44.750 45.100 0.048 0.000 1.083 3267 G HN 0.152 nan 8.290 nan 0.000 0.500 3268 I N 0.775 121.354 120.570 0.016 0.000 3.045 3268 I HA 0.058 4.228 4.170 -0.000 0.000 0.288 3268 I C 0.563 176.705 176.117 0.042 0.000 1.238 3268 I CA -0.045 61.259 61.300 0.007 0.000 1.396 3268 I CB 0.382 38.268 38.000 -0.190 0.000 1.355 3268 I HN 0.419 nan 8.210 nan 0.000 0.601 3269 N N 3.813 122.561 118.700 0.080 0.000 3.091 3269 N HA 0.092 4.832 4.740 -0.000 0.000 0.255 3269 N C 0.660 176.252 175.510 0.137 0.000 1.204 3269 N CA -0.275 52.861 53.050 0.143 0.000 0.990 3269 N CB -0.089 38.511 38.487 0.187 0.000 1.260 3269 N HN 0.462 nan 8.380 nan 0.000 0.502 3270 F N 1.772 121.645 119.950 -0.128 0.000 2.060 3270 F HA -0.376 4.151 4.527 -0.000 0.000 0.293 3270 F C 0.934 176.569 175.800 -0.276 0.000 1.096 3270 F CA 2.093 59.907 58.000 -0.311 0.000 1.241 3270 F CB -0.463 38.176 39.000 -0.601 0.000 0.959 3270 F HN 0.498 nan 8.300 nan 0.000 0.499 3271 Y N -0.961 119.463 120.300 0.208 0.000 2.365 3271 Y HA 0.146 4.696 4.550 -0.000 0.000 0.293 3271 Y C 2.580 178.521 175.900 0.068 0.000 1.119 3271 Y CA 0.624 58.765 58.100 0.067 0.000 1.203 3271 Y CB -1.265 37.199 38.460 0.006 0.000 1.026 3271 Y HN 0.069 nan 8.280 nan 0.000 0.549 3272 G N 1.170 110.115 108.800 0.243 0.000 2.587 3272 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 3272 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 3272 G C 1.448 176.425 174.900 0.128 0.000 1.240 3272 G CA 1.413 46.615 45.100 0.171 0.000 0.794 3272 G HN 0.576 nan 8.290 nan 0.000 0.580 3273 E N 0.197 120.471 120.200 0.123 0.000 2.265 3273 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 3273 E C 2.336 178.978 176.600 0.070 0.000 0.996 3273 E CA 0.742 57.200 56.400 0.097 0.000 0.832 3273 E CB -0.240 29.507 29.700 0.078 0.000 0.756 3273 E HN 0.351 nan 8.360 nan 0.000 0.491 3274 L N 1.659 122.930 121.223 0.081 0.000 2.005 3274 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 3274 L C 2.326 179.213 176.870 0.029 0.000 1.072 3274 L CA 1.257 56.134 54.840 0.062 0.000 0.744 3274 L CB -0.746 41.357 42.059 0.073 0.000 0.895 3274 L HN 0.050 nan 8.230 nan 0.000 0.433 3275 V N 0.490 120.415 119.914 0.017 0.000 2.222 3275 V HA -0.409 3.711 4.120 -0.000 0.000 0.252 3275 V C 2.422 178.462 176.094 -0.090 0.000 1.060 3275 V CA 2.264 64.517 62.300 -0.078 0.000 1.027 3275 V CB -0.961 30.776 31.823 -0.142 0.000 0.644 3275 V HN 0.442 nan 8.190 nan 0.000 0.448 3276 D N -0.359 120.015 120.400 -0.043 0.000 2.133 3276 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 3276 D C 1.987 178.296 176.300 0.015 0.000 0.997 3276 D CA 1.314 55.310 54.000 -0.006 0.000 0.840 3276 D CB -0.297 40.527 40.800 0.039 0.000 0.947 3276 D HN 0.257 nan 8.370 nan 0.000 0.452 3277 L N 0.648 121.885 121.223 0.023 0.000 2.017 3277 L HA -0.027 4.313 4.340 -0.000 0.000 0.208 3277 L C 2.620 179.507 176.870 0.028 0.000 1.073 3277 L CA 1.752 56.610 54.840 0.030 0.000 0.745 3277 L CB -1.372 40.707 42.059 0.033 0.000 0.894 3277 L HN 0.072 nan 8.230 nan 0.000 0.432 3278 G N -1.419 107.391 108.800 0.016 0.000 2.501 3278 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.220 3278 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.220 3278 G C 1.591 176.511 174.900 0.033 0.000 1.114 3278 G CA 1.014 46.128 45.100 0.024 0.000 0.757 3278 G HN 0.292 nan 8.290 nan 0.000 0.559 3279 V N 0.192 120.118 119.914 0.020 0.000 2.302 3279 V HA -0.006 4.114 4.120 -0.000 0.000 0.243 3279 V C 2.504 178.636 176.094 0.063 0.000 1.036 3279 V CA 1.917 64.247 62.300 0.050 0.000 1.020 3279 V CB -0.241 31.615 31.823 0.055 0.000 0.657 3279 V HN 0.350 nan 8.190 nan 0.000 0.453 3280 K N -0.123 120.309 120.400 0.053 0.000 2.486 3280 K HA -0.049 4.271 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 0.598 56.916 56.287 0.051 0.000 1.004 3280 K CB 0.215 32.743 32.500 0.048 0.000 0.798 3280 K HN 0.330 nan 8.250 nan 0.000 0.495 3281 E N 1.192 121.421 120.200 0.048 0.000 2.723 3281 E HA 0.039 4.389 4.350 -0.000 0.000 0.219 3281 E C -0.429 176.205 176.600 0.056 0.000 1.060 3281 E CA -0.125 56.304 56.400 0.048 0.000 1.291 3281 E CB 0.790 30.517 29.700 0.045 0.000 1.265 3281 E HN 0.114 nan 8.360 nan 0.000 0.438 3282 K N -0.454 119.982 120.400 0.058 0.000 3.184 3282 K HA -0.234 4.086 4.320 -0.000 0.000 0.301 3282 K C 1.138 177.785 176.600 0.077 0.000 1.170 3282 K CA 0.678 57.001 56.287 0.061 0.000 0.897 3282 K CB -1.959 30.568 32.500 0.046 0.000 1.218 3282 K HN 0.304 nan 8.250 nan 0.000 0.441 3283 L N -0.229 121.053 121.223 0.098 0.000 2.209 3283 L HA 0.130 4.470 4.340 -0.000 0.000 0.207 3283 L C 1.137 178.143 176.870 0.227 0.000 1.094 3283 L CA 0.796 55.730 54.840 0.156 0.000 0.790 3283 L CB 0.107 42.264 42.059 0.163 0.000 0.932 3283 L HN 0.105 nan 8.230 nan 0.000 0.447 3284 I N -0.918 119.746 120.570 0.157 0.000 2.509 3284 I HA 0.249 4.419 4.170 -0.000 0.000 0.293 3284 I C -0.675 175.530 176.117 0.147 0.000 1.020 3284 I CA -0.530 60.865 61.300 0.158 0.000 1.088 3284 I CB 1.967 39.997 38.000 0.051 0.000 1.267 3284 I HN -0.082 nan 8.210 nan 0.000 0.430 3285 E N 4.836 125.137 120.200 0.169 0.000 2.151 3285 E HA 0.326 4.676 4.350 -0.000 0.000 0.275 3285 E C -0.844 175.880 176.600 0.206 0.000 0.936 3285 E CA -0.931 55.560 56.400 0.151 0.000 0.777 3285 E CB 1.991 31.747 29.700 0.093 0.000 1.108 3285 E HN 0.318 nan 8.360 nan 0.000 0.401 3286 K N 2.023 122.536 120.400 0.189 0.000 2.284 3286 K HA 0.317 4.637 4.320 -0.000 0.000 0.287 3286 K C -0.674 175.963 176.600 0.061 0.000 1.081 3286 K CA -0.189 56.184 56.287 0.144 0.000 0.910 3286 K CB 0.536 33.129 32.500 0.155 0.000 1.088 3286 K HN 0.595 nan 8.250 nan 0.000 0.478 3287 A N 4.183 127.029 122.820 0.043 0.000 3.290 3287 A HA 0.405 4.725 4.320 -0.000 0.000 0.297 3287 A C 0.905 178.523 177.584 0.058 0.000 1.285 3287 A CA 0.186 52.266 52.037 0.072 0.000 1.060 3287 A CB -0.381 18.689 19.000 0.116 0.000 1.114 3287 A HN 1.071 nan 8.150 nan 0.000 0.601 3288 G N 0.714 109.508 108.800 -0.011 0.000 4.610 3288 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.323 3288 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.323 3288 G C 1.438 176.236 174.900 -0.170 0.000 1.377 3288 G CA 0.905 45.971 45.100 -0.057 0.000 1.023 3288 G HN 1.736 nan 8.290 nan 0.000 0.755 3289 A N -0.735 121.946 122.820 -0.232 0.000 2.197 3289 A HA 0.529 4.849 4.320 -0.000 0.000 0.210 3289 A C 0.787 178.049 177.584 -0.536 0.000 1.180 3289 A CA 0.551 52.344 52.037 -0.407 0.000 0.846 3289 A CB 0.046 18.784 19.000 -0.436 0.000 0.884 3289 A HN 0.580 nan 8.150 nan 0.000 0.487 3290 W N -0.724 120.385 121.300 -0.318 0.000 2.315 3290 W HA 0.514 5.174 4.660 -0.000 0.000 0.316 3290 W C -0.579 175.728 176.519 -0.352 0.000 1.211 3290 W CA -0.136 57.048 57.345 -0.267 0.000 1.201 3290 W CB 0.419 29.797 29.460 -0.138 0.000 1.184 3290 W HN 0.209 nan 8.180 nan 0.000 0.544 3291 Y N 2.228 122.662 120.300 0.223 0.000 2.335 3291 Y HA 0.417 4.967 4.550 -0.000 0.000 0.338 3291 Y C 0.402 176.316 175.900 0.023 0.000 0.977 3291 Y CA -0.718 57.428 58.100 0.078 0.000 1.114 3291 Y CB 1.580 40.039 38.460 -0.001 0.000 1.182 3291 Y HN 0.179 nan 8.280 nan 0.000 0.463 3292 S N 2.569 118.386 115.700 0.195 0.000 2.568 3292 S HA 0.464 4.934 4.470 -0.000 0.000 0.302 3292 S C -1.911 172.770 174.600 0.134 0.000 1.082 3292 S CA -0.747 57.504 58.200 0.085 0.000 1.009 3292 S CB 1.539 64.764 63.200 0.041 0.000 1.069 3292 S HN 0.518 nan 8.310 nan 0.000 0.500 3293 Y N 1.968 122.222 120.300 -0.078 0.000 2.344 3293 Y HA 0.357 4.907 4.550 -0.000 0.000 0.328 3293 Y C -0.128 175.762 175.900 -0.016 0.000 1.067 3293 Y CA -0.846 57.226 58.100 -0.047 0.000 1.247 3293 Y CB 0.359 38.776 38.460 -0.071 0.000 1.113 3293 Y HN 0.839 nan 8.280 nan 0.000 0.465 3294 K N 4.426 124.597 120.400 -0.382 0.000 3.161 3294 K HA -0.203 4.117 4.320 -0.000 0.000 0.270 3294 K C 0.911 177.421 176.600 -0.151 0.000 1.115 3294 K CA 0.988 57.083 56.287 -0.321 0.000 0.789 3294 K CB -1.396 30.843 32.500 -0.434 0.000 1.256 3294 K HN 1.405 nan 8.250 nan 0.000 0.492 3295 G N -0.334 108.406 108.800 -0.100 0.000 2.220 3295 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.269 3295 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.269 3295 G C -0.077 174.779 174.900 -0.074 0.000 0.977 3295 G CA 0.802 45.856 45.100 -0.076 0.000 0.634 3295 G HN 0.474 nan 8.290 nan 0.000 0.539 3296 E N 0.971 121.138 120.200 -0.056 0.000 2.249 3296 E HA 0.308 4.658 4.350 -0.000 0.000 0.280 3296 E C 0.092 176.658 176.600 -0.057 0.000 1.016 3296 E CA -0.650 55.728 56.400 -0.037 0.000 0.830 3296 E CB 0.577 30.290 29.700 0.022 0.000 1.081 3296 E HN 0.110 nan 8.360 nan 0.000 0.395 3297 K N 3.712 124.057 120.400 -0.092 0.000 2.339 3297 K HA 0.145 4.465 4.320 -0.000 0.000 0.286 3297 K C 0.952 177.467 176.600 -0.141 0.000 1.050 3297 K CA 0.152 56.369 56.287 -0.117 0.000 0.956 3297 K CB 0.629 33.020 32.500 -0.182 0.000 0.990 3297 K HN 0.549 nan 8.250 nan 0.000 0.475 3298 I N -1.983 118.442 120.570 -0.243 0.000 4.530 3298 I HA 0.339 4.509 4.170 -0.000 0.000 0.318 3298 I C 0.646 176.458 176.117 -0.510 0.000 1.257 3298 I CA -0.269 60.590 61.300 -0.734 0.000 1.301 3298 I CB 1.212 38.399 38.000 -1.355 0.000 1.297 3298 I HN 0.449 nan 8.210 nan 0.000 0.451 3299 G N 1.180 109.930 108.800 -0.084 0.000 2.702 3299 G HA2 0.458 4.418 3.960 -0.000 0.000 0.296 3299 G HA3 0.458 4.418 3.960 -0.000 0.000 0.296 3299 G C -2.201 172.804 174.900 0.175 0.000 1.463 3299 G CA -0.455 44.696 45.100 0.085 0.000 0.890 3299 G HN 0.163 nan 8.290 nan 0.000 0.534 3300 Q N 0.374 120.183 119.800 0.016 0.000 2.333 3300 Q HA 0.562 4.902 4.340 -0.000 0.000 0.268 3300 Q C 0.206 176.099 176.000 -0.179 0.000 1.007 3300 Q CA 0.164 55.794 55.803 -0.289 0.000 0.810 3300 Q CB 1.507 29.834 28.738 -0.685 0.000 1.264 3300 Q HN 2.118 nan 8.270 nan 0.000 0.452 3301 G N 3.455 112.134 108.800 -0.202 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 0.248 175.239 174.900 0.153 0.000 0.938 3301 G CA 0.157 45.220 45.100 -0.062 0.000 0.778 3301 G HN 0.848 nan 8.290 nan 0.000 0.515 3302 K N 2.026 122.599 120.400 0.290 0.000 2.097 3302 K HA -0.228 4.092 4.320 -0.000 0.000 0.214 3302 K C 2.913 179.613 176.600 0.165 0.000 1.052 3302 K CA 2.810 59.298 56.287 0.335 0.000 0.932 3302 K CB -0.367 32.267 32.500 0.223 0.000 0.716 3302 K HN 1.499 nan 8.250 nan 0.000 0.455 3303 A N 1.919 124.808 122.820 0.115 0.000 1.891 3303 A HA -0.317 4.003 4.320 -0.000 0.000 0.221 3303 A C 1.805 179.443 177.584 0.090 0.000 1.394 3303 A CA 2.443 54.529 52.037 0.082 0.000 0.730 3303 A CB -1.307 17.723 19.000 0.051 0.000 0.845 3303 A HN 0.637 nan 8.150 nan 0.000 0.471 3304 N N 0.061 118.814 118.700 0.088 0.000 2.364 3304 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 3304 N C 1.891 177.487 175.510 0.144 0.000 1.022 3304 N CA 1.122 54.233 53.050 0.101 0.000 0.883 3304 N CB -0.303 38.232 38.487 0.080 0.000 0.965 3304 N HN 0.586 nan 8.380 nan 0.000 0.438 3305 A N 1.313 124.221 122.820 0.147 0.000 1.877 3305 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 3305 A C 2.390 180.048 177.584 0.124 0.000 1.186 3305 A CA 1.710 53.818 52.037 0.117 0.000 0.620 3305 A CB -0.968 18.067 19.000 0.059 0.000 0.822 3305 A HN 0.237 nan 8.150 nan 0.000 0.443 3306 T N 0.866 115.475 114.554 0.092 0.000 2.474 3306 T HA -0.099 4.251 4.350 -0.000 0.000 0.254 3306 T C 2.097 176.832 174.700 0.058 0.000 1.191 3306 T CA 1.876 64.028 62.100 0.086 0.000 1.231 3306 T CB -0.919 68.004 68.868 0.091 0.000 0.865 3306 T HN 0.694 nan 8.240 nan 0.000 0.398 3307 A N -0.200 122.643 122.820 0.039 0.000 2.285 3307 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 3307 A C 1.825 179.402 177.584 -0.011 0.000 1.188 3307 A CA 1.290 53.310 52.037 -0.028 0.000 0.707 3307 A CB -1.233 17.768 19.000 0.001 0.000 0.771 3307 A HN 0.739 nan 8.150 nan 0.000 0.488 3308 W N -0.153 121.080 121.300 -0.110 0.000 2.463 3308 W HA -0.028 4.631 4.660 -0.000 0.000 0.316 3308 W C 1.677 178.091 176.519 -0.176 0.000 1.170 3308 W CA 1.595 58.879 57.345 -0.102 0.000 1.355 3308 W CB -0.408 29.025 29.460 -0.045 0.000 1.159 3308 W HN 0.211 nan 8.180 nan 0.000 0.487 3309 L N 1.211 122.489 121.223 0.092 0.000 2.189 3309 L HA -0.277 4.063 4.340 -0.000 0.000 0.214 3309 L C 2.439 178.962 176.870 -0.578 0.000 1.097 3309 L CA 1.635 56.375 54.840 -0.166 0.000 0.764 3309 L CB -0.800 41.302 42.059 0.072 0.000 0.900 3309 L HN 0.058 nan 8.230 nan 0.000 0.436 3310 K N 0.003 119.952 120.400 -0.753 0.000 2.209 3310 K HA -0.184 4.136 4.320 -0.000 0.000 0.204 3310 K C 0.870 177.146 176.600 -0.540 0.000 1.048 3310 K CA 1.494 57.208 56.287 -0.954 0.000 0.940 3310 K CB 0.112 32.237 32.500 -0.624 0.000 0.729 3310 K HN 0.224 nan 8.250 nan 0.000 0.451 3311 D N -0.428 119.684 120.400 -0.481 0.000 2.363 3311 D HA 0.070 4.710 4.640 -0.000 0.000 0.214 3311 D C -0.578 175.444 176.300 -0.462 0.000 1.093 3311 D CA 0.172 53.931 54.000 -0.402 0.000 0.837 3311 D CB 0.420 41.011 40.800 -0.349 0.000 0.948 3311 D HN 0.109 nan 8.370 nan 0.000 0.507 3312 N N 0.399 118.774 118.700 -0.541 0.000 2.642 3312 N HA 0.110 4.850 4.740 -0.000 0.000 0.308 3312 N C -2.126 173.206 175.510 -0.298 0.000 1.914 3312 N CA -0.910 51.849 53.050 -0.485 0.000 0.893 3312 N CB 1.579 39.581 38.487 -0.808 0.000 1.322 3312 N HN -0.008 nan 8.380 nan 0.000 0.490 3313 P HA -0.188 nan 4.420 nan 0.000 0.216 3313 P C 1.466 178.706 177.300 -0.100 0.000 1.154 3313 P CA 1.357 64.382 63.100 -0.125 0.000 0.865 3313 P CB 0.482 32.127 31.700 -0.093 0.000 0.789 3314 E N -0.540 119.604 120.200 -0.094 0.000 2.026 3314 E HA -0.200 4.150 4.350 -0.000 0.000 0.206 3314 E C 1.856 178.433 176.600 -0.038 0.000 1.028 3314 E CA 2.370 58.736 56.400 -0.056 0.000 0.845 3314 E CB -1.544 28.129 29.700 -0.045 0.000 0.772 3314 E HN 0.379 nan 8.360 nan 0.000 0.462 3315 T N -1.214 113.313 114.554 -0.045 0.000 3.163 3315 T HA 0.256 4.606 4.350 -0.000 0.000 0.260 3315 T C 1.610 176.280 174.700 -0.050 0.000 1.156 3315 T CA 0.774 62.877 62.100 0.005 0.000 1.072 3315 T CB 0.165 69.086 68.868 0.088 0.000 0.937 3315 T HN 0.214 nan 8.240 nan 0.000 0.528 3316 A N 2.442 125.219 122.820 -0.072 0.000 1.884 3316 A HA 0.248 4.568 4.320 -0.000 0.000 0.212 3316 A C 2.275 179.824 177.584 -0.058 0.000 1.265 3316 A CA 0.608 52.611 52.037 -0.057 0.000 0.626 3316 A CB -0.452 18.532 19.000 -0.026 0.000 0.943 3316 A HN 0.385 nan 8.150 nan 0.000 0.466 3317 K N 0.011 120.365 120.400 -0.077 0.000 2.189 3317 K HA -0.242 4.078 4.320 -0.000 0.000 0.207 3317 K C 1.935 178.522 176.600 -0.021 0.000 1.046 3317 K CA 1.841 58.086 56.287 -0.070 0.000 0.928 3317 K CB -0.109 32.355 32.500 -0.060 0.000 0.720 3317 K HN 0.663 nan 8.250 nan 0.000 0.458 3318 E N 0.424 120.622 120.200 -0.003 0.000 2.208 3318 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 3318 E C 1.778 178.405 176.600 0.044 0.000 0.988 3318 E CA 0.645 57.063 56.400 0.031 0.000 0.828 3318 E CB 0.138 29.874 29.700 0.059 0.000 0.763 3318 E HN 0.313 nan 8.360 nan 0.000 0.478 3319 I N 0.598 121.183 120.570 0.024 0.000 2.480 3319 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 3319 I C 2.472 178.604 176.117 0.025 0.000 1.124 3319 I CA 0.614 61.933 61.300 0.031 0.000 1.444 3319 I CB -0.222 37.773 38.000 -0.009 0.000 1.098 3319 I HN 0.160 nan 8.210 nan 0.000 0.428 3320 E N 1.921 122.125 120.200 0.007 0.000 2.045 3320 E HA -0.388 3.962 4.350 -0.000 0.000 0.212 3320 E C 2.130 178.750 176.600 0.033 0.000 1.039 3320 E CA 2.383 58.797 56.400 0.023 0.000 0.860 3320 E CB -0.085 29.623 29.700 0.013 0.000 0.776 3320 E HN 0.221 nan 8.360 nan 0.000 0.467 3321 K N 0.461 120.878 120.400 0.029 0.000 2.034 3321 K HA -0.189 4.131 4.320 -0.000 0.000 0.214 3321 K C 1.979 178.598 176.600 0.031 0.000 1.051 3321 K CA 2.232 58.536 56.287 0.029 0.000 0.931 3321 K CB -0.015 32.501 32.500 0.026 0.000 0.715 3321 K HN 0.050 nan 8.250 nan 0.000 0.446 3322 K N 0.011 120.434 120.400 0.038 0.000 2.574 3322 K HA -0.042 4.278 4.320 -0.000 0.000 0.193 3322 K C 1.545 178.169 176.600 0.040 0.000 1.035 3322 K CA 0.688 57.000 56.287 0.042 0.000 0.982 3322 K CB 0.320 32.853 32.500 0.056 0.000 0.795 3322 K HN 0.079 nan 8.250 nan 0.000 0.491 3323 V N 0.256 120.192 119.914 0.036 0.000 2.672 3323 V HA -0.043 4.077 4.120 -0.000 0.000 0.242 3323 V C 2.028 178.138 176.094 0.025 0.000 1.059 3323 V CA 0.655 62.975 62.300 0.033 0.000 1.081 3323 V CB -0.256 31.587 31.823 0.033 0.000 0.752 3323 V HN 0.193 nan 8.190 nan 0.000 0.472 3324 R N 0.371 120.886 120.500 0.024 0.000 2.139 3324 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 3324 R C 2.185 178.494 176.300 0.015 0.000 1.145 3324 R CA 1.733 57.843 56.100 0.017 0.000 0.976 3324 R CB -0.196 30.114 30.300 0.017 0.000 0.866 3324 R HN 0.594 nan 8.270 nan 0.000 0.449 3325 E N 0.175 120.386 120.200 0.019 0.000 2.208 3325 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 3325 E C 1.437 178.048 176.600 0.017 0.000 0.988 3325 E CA 0.638 57.048 56.400 0.017 0.000 0.828 3325 E CB 0.191 29.903 29.700 0.020 0.000 0.763 3325 E HN 0.256 nan 8.360 nan 0.000 0.478 3326 L N 0.006 121.241 121.223 0.020 0.000 2.607 3326 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 3326 L C 0.907 177.788 176.870 0.018 0.000 1.123 3326 L CA 0.189 55.041 54.840 0.021 0.000 0.890 3326 L CB 0.612 42.687 42.059 0.026 0.000 1.103 3326 L HN 0.055 nan 8.230 nan 0.000 0.468 3327 L N -1.036 120.196 121.223 0.015 0.000 3.521 3327 L HA 0.300 4.640 4.340 -0.000 0.000 0.323 3327 L C -0.876 175.998 176.870 0.006 0.000 1.268 3327 L CA 0.019 54.866 54.840 0.012 0.000 1.064 3327 L CB 0.893 42.960 42.059 0.014 0.000 1.455 3327 L HN 0.000 nan 8.230 nan 0.000 0.622 3328 L N 0.000 121.226 121.223 0.005 0.000 2.949 3328 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 3328 L CA 0.000 54.840 54.840 0.000 0.000 0.813 3328 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 3328 L HN 0.000 nan 8.230 nan 0.000 0.502