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 3cmx_1_A DATA FIRST_RESID 37 DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEIE GEIGDSHMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR MKIGVMFGNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LLSNPNSXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXAIDENK QKALAAALGQ IEKQFGKGSI MRLGEDRSMD DATA SEQUENCE VETISTGSLS LDIALGAGGL PMGRIVEIYG PESSGKTTLT LQVIAAAQRE DATA SEQUENCE GKTCAFIDAE HALDPIYARK LGVDIDNLLC SQPDTGEQAL EICDALARSG DATA SEQUENCE AVDVIVVDSV AALTPKAEXX XXXXXXXXXX XARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR XXXXXXXXNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.099 176.094 0.008 0.000 1.182 37 V CA 0.000 62.306 62.300 0.010 0.000 1.235 37 V CB 0.000 31.829 31.823 0.010 0.000 1.184 38 E N 2.313 122.518 120.200 0.008 0.000 2.227 38 E HA 0.822 5.163 4.350 -0.014 0.000 0.268 38 E C -0.740 175.863 176.600 0.006 0.000 0.907 38 E CA -0.259 56.145 56.400 0.006 0.000 0.786 38 E CB 2.474 32.177 29.700 0.005 0.000 1.191 38 E HN 0.906 nan 8.360 nan 0.000 0.411 39 T N 0.604 115.160 114.554 0.004 0.000 2.916 39 T HA 0.629 4.970 4.350 -0.014 0.000 0.292 39 T C -0.369 174.331 174.700 -0.000 0.000 1.064 39 T CA -0.868 61.234 62.100 0.003 0.000 1.011 39 T CB 1.068 69.939 68.868 0.005 0.000 1.152 39 T HN 0.262 nan 8.240 nan 0.000 0.510 40 I N 1.683 122.252 120.570 -0.002 0.000 2.509 40 I HA 0.427 4.589 4.170 -0.014 0.000 0.293 40 I C 0.747 176.861 176.117 -0.006 0.000 1.020 40 I CA -0.787 60.509 61.300 -0.007 0.000 1.088 40 I CB 1.708 39.702 38.000 -0.010 0.000 1.267 40 I HN 0.948 nan 8.210 nan 0.000 0.430 41 S N 2.769 118.463 115.700 -0.010 0.000 2.558 41 S HA 0.044 4.505 4.470 -0.014 0.000 0.288 41 S C 1.357 175.948 174.600 -0.014 0.000 1.318 41 S CA 0.385 58.583 58.200 -0.005 0.000 1.056 41 S CB 0.385 63.580 63.200 -0.007 0.000 0.853 41 S HN 0.813 nan 8.310 nan 0.000 0.505 42 T N 1.526 116.073 114.554 -0.011 0.000 3.100 42 T HA 0.337 4.679 4.350 -0.014 0.000 0.253 42 T C 1.510 176.180 174.700 -0.050 0.000 1.118 42 T CA 0.643 62.728 62.100 -0.025 0.000 1.058 42 T CB -0.385 68.469 68.868 -0.023 0.000 0.953 42 T HN 1.650 nan 8.240 nan 0.000 0.515 43 G N 0.754 109.534 108.800 -0.034 0.000 2.199 43 G HA2 -0.243 3.708 3.960 -0.014 0.000 0.254 43 G HA3 -0.243 3.708 3.960 -0.014 0.000 0.254 43 G C 0.195 175.089 174.900 -0.009 0.000 0.982 43 G CA 0.227 45.304 45.100 -0.038 0.000 0.632 43 G HN 1.095 nan 8.290 nan 0.000 0.529 44 S N -0.234 115.392 115.700 -0.123 0.000 2.498 44 S HA 0.633 5.095 4.470 -0.014 0.000 0.317 44 S C 1.159 175.662 174.600 -0.161 0.000 1.090 44 S CA 0.024 58.052 58.200 -0.286 0.000 1.089 44 S CB 1.487 64.319 63.200 -0.613 0.000 0.997 44 S HN 0.928 nan 8.310 nan 0.000 0.470 45 L N 5.793 126.845 121.223 -0.285 0.000 2.027 45 L HA 0.025 4.357 4.340 -0.014 0.000 0.206 45 L C 2.573 179.362 176.870 -0.135 0.000 1.074 45 L CA 2.709 57.399 54.840 -0.251 0.000 0.745 45 L CB -1.000 40.736 42.059 -0.538 0.000 0.898 45 L HN 0.894 nan 8.230 nan 0.000 0.433 46 S N -1.129 114.501 115.700 -0.116 0.000 2.402 46 S HA -0.203 4.258 4.470 -0.014 0.000 0.229 46 S C 2.104 176.719 174.600 0.025 0.000 1.021 46 S CA 1.368 59.556 58.200 -0.019 0.000 0.974 46 S CB -1.026 62.196 63.200 0.036 0.000 0.800 46 S HN 0.498 nan 8.310 nan 0.000 0.484 47 L N 1.395 122.638 121.223 0.034 0.000 2.093 47 L HA -0.097 4.235 4.340 -0.014 0.000 0.208 47 L C 1.904 178.784 176.870 0.017 0.000 1.085 47 L CA 1.693 56.566 54.840 0.054 0.000 0.755 47 L CB -0.433 41.664 42.059 0.063 0.000 0.904 47 L HN 0.195 nan 8.230 nan 0.000 0.435 48 D N -0.024 120.373 120.400 -0.005 0.000 2.178 48 D HA -0.171 4.460 4.640 -0.014 0.000 0.201 48 D C 2.178 178.479 176.300 0.002 0.000 0.980 48 D CA 1.349 55.349 54.000 -0.001 0.000 0.842 48 D CB -0.012 40.789 40.800 0.003 0.000 0.948 48 D HN 0.392 nan 8.370 nan 0.000 0.472 49 I N 0.970 121.540 120.570 -0.001 0.000 2.286 49 I HA -0.187 3.974 4.170 -0.014 0.000 0.245 49 I C 2.452 178.575 176.117 0.010 0.000 1.104 49 I CA 0.896 62.198 61.300 0.004 0.000 1.397 49 I CB -0.190 37.809 38.000 -0.001 0.000 1.072 49 I HN -0.101 nan 8.210 nan 0.000 0.417 50 A N 0.689 123.518 122.820 0.016 0.000 2.024 50 A HA -0.139 4.173 4.320 -0.014 0.000 0.220 50 A C 2.257 179.846 177.584 0.009 0.000 1.164 50 A CA 1.345 53.393 52.037 0.019 0.000 0.643 50 A CB -0.836 18.182 19.000 0.029 0.000 0.806 50 A HN 0.421 nan 8.150 nan 0.000 0.451 51 L N -1.633 119.594 121.223 0.005 0.000 2.465 51 L HA 0.034 4.365 4.340 -0.014 0.000 0.224 51 L C 2.214 179.082 176.870 -0.002 0.000 1.145 51 L CA 0.654 55.492 54.840 -0.003 0.000 0.834 51 L CB -0.406 41.652 42.059 -0.001 0.000 0.944 51 L HN 0.622 nan 8.230 nan 0.000 0.451 52 G N -0.057 108.745 108.800 0.004 0.000 2.779 52 G HA2 -0.462 3.490 3.960 -0.014 0.000 0.230 52 G HA3 -0.462 3.490 3.960 -0.014 0.000 0.230 52 G C 1.179 176.083 174.900 0.007 0.000 1.243 52 G CA 0.647 45.751 45.100 0.006 0.000 0.769 52 G HN 0.452 nan 8.290 nan 0.000 0.516 53 A N 0.175 122.997 122.820 0.004 0.000 2.119 53 A HA 0.506 4.817 4.320 -0.014 0.000 0.216 53 A C 2.785 180.373 177.584 0.008 0.000 1.152 53 A CA 2.258 54.299 52.037 0.006 0.000 0.708 53 A CB -0.554 18.449 19.000 0.004 0.000 0.805 53 A HN 2.680 nan 8.150 nan 0.000 0.460 54 G N -3.309 105.496 108.800 0.007 0.000 2.179 54 G HA2 0.315 4.266 3.960 -0.014 0.000 0.220 54 G HA3 0.315 4.266 3.960 -0.014 0.000 0.220 54 G C 0.839 175.745 174.900 0.009 0.000 0.990 54 G CA 0.320 45.425 45.100 0.009 0.000 0.646 54 G HN 2.111 nan 8.290 nan 0.000 0.517 55 G N -1.385 107.419 108.800 0.006 0.000 2.317 55 G HA2 0.531 4.483 3.960 -0.014 0.000 0.293 55 G HA3 0.531 4.483 3.960 -0.014 0.000 0.293 55 G C -0.902 174.000 174.900 0.003 0.000 1.287 55 G CA -0.499 44.603 45.100 0.004 0.000 0.850 55 G HN 0.844 nan 8.290 nan 0.000 0.515 56 L N 2.006 123.231 121.223 0.003 0.000 2.371 56 L HA 0.416 4.747 4.340 -0.014 0.000 0.272 56 L C -1.758 175.116 176.870 0.006 0.000 1.124 56 L CA -1.655 53.188 54.840 0.005 0.000 0.816 56 L CB 1.481 43.544 42.059 0.006 0.000 1.129 56 L HN 0.302 nan 8.230 nan 0.000 0.448 57 P HA 0.132 nan 4.420 nan 0.000 0.282 57 P C -0.719 176.589 177.300 0.013 0.000 1.262 57 P CA -0.465 62.642 63.100 0.012 0.000 0.773 57 P CB 0.925 32.634 31.700 0.015 0.000 0.879 58 M N 2.116 121.722 119.600 0.010 0.000 2.238 58 M HA 0.199 4.670 4.480 -0.014 0.000 0.347 58 M C 1.592 177.901 176.300 0.015 0.000 1.173 58 M CA 0.861 56.166 55.300 0.009 0.000 1.147 58 M CB -0.561 32.042 32.600 0.005 0.000 1.547 58 M HN 0.832 nan 8.290 nan 0.000 0.455 59 G N 2.553 111.362 108.800 0.015 0.000 2.153 59 G HA2 -0.211 3.740 3.960 -0.014 0.000 0.252 59 G HA3 -0.211 3.740 3.960 -0.014 0.000 0.252 59 G C 0.237 175.159 174.900 0.037 0.000 0.994 59 G CA 0.037 45.150 45.100 0.023 0.000 0.698 59 G HN 0.561 nan 8.290 nan 0.000 0.521 60 R N -0.976 119.548 120.500 0.040 0.000 2.939 60 R HA 0.781 5.112 4.340 -0.014 0.000 0.254 60 R C 0.056 176.401 176.300 0.075 0.000 1.123 60 R CA -1.090 55.047 56.100 0.061 0.000 1.020 60 R CB 0.829 31.159 30.300 0.051 0.000 1.206 60 R HN 0.198 nan 8.270 nan 0.000 0.491 61 I N 0.791 121.429 120.570 0.112 0.000 2.412 61 I HA 0.368 4.529 4.170 -0.014 0.000 0.296 61 I C -0.425 175.776 176.117 0.141 0.000 0.987 61 I CA -0.859 60.535 61.300 0.156 0.000 1.180 61 I CB 1.939 40.076 38.000 0.228 0.000 1.340 61 I HN -0.016 nan 8.210 nan 0.000 0.455 62 V N 5.296 125.299 119.914 0.147 0.000 2.656 62 V HA 0.389 4.501 4.120 -0.014 0.000 0.307 62 V C -0.465 175.735 176.094 0.178 0.000 1.051 62 V CA -0.689 61.684 62.300 0.121 0.000 0.893 62 V CB 2.026 33.888 31.823 0.065 0.000 0.999 62 V HN 0.733 nan 8.190 nan 0.000 0.426 63 E N 3.870 124.164 120.200 0.156 0.000 2.187 63 E HA 0.669 5.010 4.350 -0.014 0.000 0.268 63 E C -1.561 175.123 176.600 0.140 0.000 0.896 63 E CA -0.623 55.889 56.400 0.185 0.000 0.766 63 E CB 1.692 31.502 29.700 0.184 0.000 1.142 63 E HN 0.651 nan 8.360 nan 0.000 0.408 64 I N 5.414 126.064 120.570 0.133 0.000 2.406 64 I HA 0.346 4.507 4.170 -0.014 0.000 0.290 64 I C -0.913 175.282 176.117 0.131 0.000 0.999 64 I CA -0.976 60.361 61.300 0.063 0.000 1.124 64 I CB 0.867 38.895 38.000 0.047 0.000 1.289 64 I HN 0.510 nan 8.210 nan 0.000 0.441 65 Y N 3.990 124.323 120.300 0.054 0.000 2.605 65 Y HA 1.005 5.546 4.550 -0.014 0.000 0.343 65 Y C -0.172 175.777 175.900 0.080 0.000 1.036 65 Y CA -1.155 56.977 58.100 0.053 0.000 1.065 65 Y CB 1.954 40.428 38.460 0.023 0.000 1.288 65 Y HN 0.671 nan 8.280 nan 0.000 0.481 66 G N 0.565 109.546 108.800 0.302 0.000 2.328 66 G HA2 0.447 4.399 3.960 -0.014 0.000 0.295 66 G HA3 0.447 4.399 3.960 -0.014 0.000 0.295 66 G C -3.526 171.595 174.900 0.369 0.000 1.413 66 G CA -1.369 43.878 45.100 0.245 0.000 0.817 66 G HN 0.490 nan 8.290 nan 0.000 0.546 67 P HA 0.245 nan 4.420 nan 0.000 0.272 67 P C -0.202 177.104 177.300 0.010 0.000 1.248 67 P CA -0.127 63.081 63.100 0.180 0.000 0.799 67 P CB 0.270 32.004 31.700 0.057 0.000 0.997 68 E N -0.775 119.100 120.200 -0.543 0.000 2.383 68 E HA 0.255 4.597 4.350 -0.014 0.000 0.264 68 E C 0.074 176.581 176.600 -0.156 0.000 1.050 68 E CA -0.439 55.658 56.400 -0.506 0.000 0.896 68 E CB -0.421 28.771 29.700 -0.846 0.000 0.982 68 E HN 0.243 nan 8.360 nan 0.000 0.424 69 S N 0.323 115.989 115.700 -0.057 0.000 3.549 69 S HA -0.223 4.239 4.470 -0.014 0.000 0.366 69 S C 0.945 175.584 174.600 0.065 0.000 1.012 69 S CA 0.904 59.105 58.200 0.001 0.000 1.141 69 S CB -1.607 61.567 63.200 -0.043 0.000 0.910 69 S HN 0.729 nan 8.310 nan 0.000 0.471 70 S N -0.507 115.241 115.700 0.079 0.000 2.470 70 S HA 0.460 4.921 4.470 -0.014 0.000 0.222 70 S C 1.547 176.214 174.600 0.112 0.000 1.024 70 S CA 0.898 59.151 58.200 0.089 0.000 0.931 70 S CB 0.686 63.934 63.200 0.080 0.000 0.791 70 S HN 1.808 nan 8.310 nan 0.000 0.513 71 G N 0.936 109.817 108.800 0.135 0.000 2.507 71 G HA2 -0.111 3.841 3.960 -0.014 0.000 0.205 71 G HA3 -0.111 3.841 3.960 -0.014 0.000 0.205 71 G C 0.667 175.666 174.900 0.166 0.000 0.996 71 G CA 0.080 45.282 45.100 0.171 0.000 0.776 71 G HN 0.392 nan 8.290 nan 0.000 0.532 72 K N 0.488 120.975 120.400 0.146 0.000 1.987 72 K HA -0.110 4.202 4.320 -0.014 0.000 0.216 72 K C 2.584 179.275 176.600 0.152 0.000 1.051 72 K CA 2.222 58.592 56.287 0.137 0.000 0.942 72 K CB -0.593 31.989 32.500 0.137 0.000 0.722 72 K HN 0.311 nan 8.250 nan 0.000 0.444 73 T N 0.963 115.619 114.554 0.170 0.000 2.607 73 T HA -0.190 4.151 4.350 -0.014 0.000 0.267 73 T C 2.111 176.934 174.700 0.205 0.000 1.049 73 T CA 2.109 64.337 62.100 0.213 0.000 1.162 73 T CB -0.835 68.159 68.868 0.209 0.000 0.863 73 T HN 0.273 nan 8.240 nan 0.000 0.424 74 T N 2.382 117.062 114.554 0.209 0.000 2.597 74 T HA -0.113 4.228 4.350 -0.014 0.000 0.267 74 T C 1.937 176.722 174.700 0.142 0.000 1.053 74 T CA 1.476 63.705 62.100 0.215 0.000 1.165 74 T CB -0.708 68.326 68.868 0.277 0.000 0.863 74 T HN 0.239 nan 8.240 nan 0.000 0.427 75 L N 0.319 121.631 121.223 0.147 0.000 2.012 75 L HA -0.197 4.135 4.340 -0.014 0.000 0.210 75 L C 2.683 179.600 176.870 0.077 0.000 1.073 75 L CA 1.730 56.633 54.840 0.105 0.000 0.748 75 L CB -0.816 41.325 42.059 0.136 0.000 0.891 75 L HN 0.275 nan 8.230 nan 0.000 0.431 76 T N 0.357 114.976 114.554 0.108 0.000 2.624 76 T HA -0.270 4.072 4.350 -0.014 0.000 0.268 76 T C 1.833 176.598 174.700 0.108 0.000 1.041 76 T CA 2.110 64.278 62.100 0.114 0.000 1.159 76 T CB -0.389 68.580 68.868 0.168 0.000 0.863 76 T HN 0.310 nan 8.240 nan 0.000 0.434 77 L N 0.865 122.155 121.223 0.111 0.000 2.079 77 L HA -0.148 4.183 4.340 -0.014 0.000 0.210 77 L C 2.993 179.856 176.870 -0.012 0.000 1.081 77 L CA 1.131 55.993 54.840 0.037 0.000 0.752 77 L CB -0.625 41.423 42.059 -0.018 0.000 0.896 77 L HN 0.272 nan 8.230 nan 0.000 0.433 78 Q N -0.265 119.526 119.800 -0.015 0.000 2.124 78 Q HA -0.169 4.162 4.340 -0.014 0.000 0.202 78 Q C 2.428 178.398 176.000 -0.049 0.000 0.977 78 Q CA 1.943 57.715 55.803 -0.051 0.000 0.850 78 Q CB -0.511 28.191 28.738 -0.059 0.000 0.901 78 Q HN 0.624 nan 8.270 nan 0.000 0.429 79 V N -1.745 118.157 119.914 -0.021 0.000 2.591 79 V HA -0.126 3.985 4.120 -0.014 0.000 0.249 79 V C 2.071 178.153 176.094 -0.019 0.000 1.053 79 V CA 0.897 63.185 62.300 -0.021 0.000 1.068 79 V CB -0.511 31.308 31.823 -0.005 0.000 0.689 79 V HN 0.159 nan 8.190 nan 0.000 0.462 80 I N 1.430 121.998 120.570 -0.002 0.000 2.142 80 I HA -0.152 4.009 4.170 -0.014 0.000 0.240 80 I C 3.040 179.139 176.117 -0.030 0.000 1.078 80 I CA 1.793 63.092 61.300 -0.001 0.000 1.343 80 I CB -0.828 37.189 38.000 0.028 0.000 1.046 80 I HN 0.403 nan 8.210 nan 0.000 0.405 81 A N 0.938 123.728 122.820 -0.049 0.000 1.873 81 A HA -0.289 4.022 4.320 -0.014 0.000 0.218 81 A C 2.566 180.104 177.584 -0.077 0.000 1.193 81 A CA 2.434 54.428 52.037 -0.072 0.000 0.629 81 A CB -1.166 17.778 19.000 -0.094 0.000 0.826 81 A HN 0.458 nan 8.150 nan 0.000 0.447 82 A N -0.363 122.408 122.820 -0.083 0.000 1.892 82 A HA 0.052 4.364 4.320 -0.014 0.000 0.218 82 A C 2.536 180.081 177.584 -0.065 0.000 1.188 82 A CA 2.663 54.647 52.037 -0.089 0.000 0.631 82 A CB -1.143 17.806 19.000 -0.085 0.000 0.822 82 A HN 1.253 nan 8.150 nan 0.000 0.447 83 A N -1.232 121.560 122.820 -0.046 0.000 1.969 83 A HA -0.166 4.146 4.320 -0.014 0.000 0.218 83 A C 2.104 179.667 177.584 -0.034 0.000 1.169 83 A CA 1.561 53.577 52.037 -0.034 0.000 0.635 83 A CB -0.466 18.520 19.000 -0.024 0.000 0.810 83 A HN 0.672 nan 8.150 nan 0.000 0.445 84 Q N -1.289 118.488 119.800 -0.038 0.000 2.172 84 Q HA -0.096 4.235 4.340 -0.014 0.000 0.200 84 Q C 2.251 178.225 176.000 -0.043 0.000 0.964 84 Q CA 1.115 56.896 55.803 -0.037 0.000 0.855 84 Q CB -0.068 28.646 28.738 -0.039 0.000 0.918 84 Q HN 0.541 nan 8.270 nan 0.000 0.444 85 R N 1.135 121.602 120.500 -0.055 0.000 2.152 85 R HA -0.126 4.205 4.340 -0.014 0.000 0.232 85 R C 0.999 177.269 176.300 -0.050 0.000 1.117 85 R CA 1.238 57.302 56.100 -0.061 0.000 0.981 85 R CB 0.198 30.448 30.300 -0.083 0.000 0.870 85 R HN 0.282 nan 8.270 nan 0.000 0.451 86 E N -1.613 118.560 120.200 -0.044 0.000 2.479 86 E HA 0.189 4.531 4.350 -0.014 0.000 0.193 86 E C 0.423 177.007 176.600 -0.027 0.000 1.049 86 E CA 0.388 56.767 56.400 -0.035 0.000 0.870 86 E CB 0.801 30.482 29.700 -0.032 0.000 0.944 86 E HN 0.409 nan 8.360 nan 0.000 0.492 87 G N 2.164 110.947 108.800 -0.028 0.000 2.171 87 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.238 87 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.238 87 G C -0.132 174.756 174.900 -0.018 0.000 1.039 87 G CA -0.097 44.990 45.100 -0.023 0.000 0.759 87 G HN 0.122 nan 8.290 nan 0.000 0.501 88 K N 0.358 120.746 120.400 -0.019 0.000 2.098 88 K HA 0.537 4.848 4.320 -0.014 0.000 0.261 88 K C 0.281 176.872 176.600 -0.014 0.000 0.987 88 K CA -0.327 55.950 56.287 -0.015 0.000 0.916 88 K CB 0.952 33.443 32.500 -0.016 0.000 1.039 88 K HN 0.114 nan 8.250 nan 0.000 0.455 89 T N 1.773 116.321 114.554 -0.011 0.000 2.780 89 T HA 0.238 4.579 4.350 -0.014 0.000 0.294 89 T C -0.182 174.515 174.700 -0.006 0.000 0.949 89 T CA -0.525 61.570 62.100 -0.008 0.000 1.074 89 T CB 0.096 68.960 68.868 -0.006 0.000 0.910 89 T HN 0.517 nan 8.240 nan 0.000 0.501 90 C N 2.436 121.735 119.300 -0.001 0.000 2.562 90 C HA 0.976 5.427 4.460 -0.014 0.000 0.332 90 C C 0.450 175.453 174.990 0.020 0.000 1.201 90 C CA -0.937 58.086 59.018 0.009 0.000 1.803 90 C CB 0.841 28.592 27.740 0.019 0.000 2.328 90 C HN 1.046 nan 8.230 nan 0.000 0.500 91 A N 1.115 123.950 122.820 0.025 0.000 2.475 91 A HA 0.872 5.183 4.320 -0.014 0.000 0.301 91 A C -1.494 176.137 177.584 0.078 0.000 1.059 91 A CA -0.256 51.803 52.037 0.038 0.000 0.710 91 A CB 1.111 20.106 19.000 -0.007 0.000 1.288 91 A HN 0.817 nan 8.150 nan 0.000 0.408 92 F N 2.672 122.584 119.950 -0.065 0.000 2.529 92 F HA 0.643 5.161 4.527 -0.014 0.000 0.320 92 F C -0.865 174.887 175.800 -0.081 0.000 1.118 92 F CA -0.870 57.087 58.000 -0.071 0.000 0.915 92 F CB 1.610 40.578 39.000 -0.054 0.000 1.161 92 F HN 0.372 nan 8.300 nan 0.000 0.445 93 I N 4.668 124.992 120.570 -0.410 0.000 2.412 93 I HA 0.141 4.303 4.170 -0.014 0.000 0.279 93 I C -0.319 175.631 176.117 -0.278 0.000 1.063 93 I CA -0.437 60.710 61.300 -0.255 0.000 1.193 93 I CB 0.573 38.421 38.000 -0.253 0.000 1.370 93 I HN 0.518 nan 8.210 nan 0.000 0.479 94 D N 4.899 125.290 120.400 -0.015 0.000 2.801 94 D HA 0.319 4.950 4.640 -0.014 0.000 0.232 94 D C 1.406 177.634 176.300 -0.120 0.000 1.128 94 D CA 0.036 54.079 54.000 0.072 0.000 1.003 94 D CB 0.714 41.644 40.800 0.217 0.000 1.110 94 D HN 0.591 nan 8.370 nan 0.000 0.477 95 A N 1.676 124.447 122.820 -0.082 0.000 2.015 95 A HA -0.148 4.163 4.320 -0.014 0.000 0.219 95 A C 1.954 179.652 177.584 0.190 0.000 1.163 95 A CA 0.873 52.919 52.037 0.015 0.000 0.646 95 A CB -0.259 18.759 19.000 0.028 0.000 0.806 95 A HN 0.501 nan 8.150 nan 0.000 0.448 96 E N -1.059 119.208 120.200 0.112 0.000 2.418 96 E HA -0.108 4.234 4.350 -0.014 0.000 0.197 96 E C -0.492 176.269 176.600 0.268 0.000 1.026 96 E CA 0.071 56.554 56.400 0.139 0.000 0.862 96 E CB -0.183 29.534 29.700 0.029 0.000 0.799 96 E HN 0.691 nan 8.360 nan 0.000 0.518 97 H N -2.044 117.087 119.070 0.101 0.000 2.677 97 H HA -0.219 4.329 4.556 -0.014 0.000 0.321 97 H C 0.147 175.529 175.328 0.090 0.000 1.171 97 H CA 0.520 56.627 56.048 0.099 0.000 1.139 97 H CB -1.216 28.604 29.762 0.096 0.000 1.515 97 H HN 0.290 nan 8.280 nan 0.000 0.423 98 A N 0.415 123.326 122.820 0.152 0.000 2.664 98 A HA 0.174 4.485 4.320 -0.014 0.000 0.222 98 A C 0.611 178.236 177.584 0.068 0.000 1.320 98 A CA -0.232 51.870 52.037 0.109 0.000 1.029 98 A CB 0.686 19.745 19.000 0.099 0.000 1.318 98 A HN 0.175 nan 8.150 nan 0.000 0.589 99 L N 1.600 122.861 121.223 0.063 0.000 2.513 99 L HA 0.383 4.714 4.340 -0.014 0.000 0.272 99 L C -0.519 176.335 176.870 -0.027 0.000 1.187 99 L CA 0.254 55.086 54.840 -0.014 0.000 0.895 99 L CB 0.317 42.290 42.059 -0.142 0.000 1.147 99 L HN 0.206 nan 8.230 nan 0.000 0.483 100 D N 7.437 127.832 120.400 -0.008 0.000 2.359 100 D HA 0.304 4.936 4.640 -0.014 0.000 0.230 100 D C -1.749 174.558 176.300 0.012 0.000 1.118 100 D CA -2.287 51.722 54.000 0.014 0.000 0.844 100 D CB 1.487 42.307 40.800 0.034 0.000 1.059 100 D HN 0.387 nan 8.370 nan 0.000 0.493 101 P HA -0.176 nan 4.420 nan 0.000 0.215 101 P C 1.599 178.890 177.300 -0.014 0.000 1.157 101 P CA 0.883 63.959 63.100 -0.039 0.000 0.874 101 P CB 0.432 32.113 31.700 -0.033 0.000 0.790 102 I N -1.578 119.004 120.570 0.019 0.000 2.226 102 I HA -0.247 3.914 4.170 -0.014 0.000 0.245 102 I C 2.773 178.923 176.117 0.055 0.000 1.100 102 I CA 1.462 62.779 61.300 0.030 0.000 1.374 102 I CB -1.355 36.670 38.000 0.042 0.000 1.057 102 I HN -0.143 nan 8.210 nan 0.000 0.413 103 Y N 1.392 121.672 120.300 -0.034 0.000 2.242 103 Y HA -0.214 4.327 4.550 -0.014 0.000 0.291 103 Y C 2.486 178.362 175.900 -0.039 0.000 1.137 103 Y CA 1.189 59.273 58.100 -0.025 0.000 1.181 103 Y CB -0.462 37.987 38.460 -0.020 0.000 0.989 103 Y HN 0.121 nan 8.280 nan 0.000 0.527 104 A N 0.635 123.425 122.820 -0.049 0.000 1.908 104 A HA -0.228 4.083 4.320 -0.014 0.000 0.218 104 A C 2.429 179.911 177.584 -0.170 0.000 1.181 104 A CA 1.857 53.803 52.037 -0.150 0.000 0.627 104 A CB -0.777 18.134 19.000 -0.148 0.000 0.818 104 A HN 0.497 nan 8.150 nan 0.000 0.445 105 R N -0.051 120.377 120.500 -0.120 0.000 2.092 105 R HA -0.093 4.238 4.340 -0.014 0.000 0.231 105 R C 1.938 178.163 176.300 -0.125 0.000 1.119 105 R CA 1.597 57.635 56.100 -0.103 0.000 0.970 105 R CB -0.259 30.003 30.300 -0.064 0.000 0.864 105 R HN 0.530 nan 8.270 nan 0.000 0.440 106 K N 0.355 120.664 120.400 -0.152 0.000 2.209 106 K HA -0.099 4.213 4.320 -0.014 0.000 0.204 106 K C 1.947 178.410 176.600 -0.229 0.000 1.048 106 K CA 1.028 57.215 56.287 -0.166 0.000 0.940 106 K CB -0.039 32.366 32.500 -0.158 0.000 0.729 106 K HN 0.261 nan 8.250 nan 0.000 0.451 107 L N -0.505 120.524 121.223 -0.323 0.000 2.478 107 L HA 0.029 4.360 4.340 -0.014 0.000 0.223 107 L C 1.043 177.806 176.870 -0.178 0.000 1.140 107 L CA 0.562 55.233 54.840 -0.283 0.000 0.842 107 L CB -0.073 41.784 42.059 -0.337 0.000 0.953 107 L HN 0.447 nan 8.230 nan 0.000 0.452 108 G N 0.205 108.914 108.800 -0.151 0.000 2.145 108 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.176 108 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.176 108 G C -0.052 174.785 174.900 -0.104 0.000 1.013 108 G CA -0.229 44.801 45.100 -0.116 0.000 0.689 108 G HN 0.044 nan 8.290 nan 0.000 0.506 109 V N 0.666 120.515 119.914 -0.108 0.000 2.607 109 V HA 0.454 4.565 4.120 -0.014 0.000 0.289 109 V C 0.562 176.610 176.094 -0.076 0.000 1.053 109 V CA -0.420 61.825 62.300 -0.091 0.000 0.996 109 V CB 1.803 33.563 31.823 -0.104 0.000 0.995 109 V HN 0.344 nan 8.190 nan 0.000 0.476 110 D N 3.733 124.096 120.400 -0.062 0.000 2.383 110 D HA 0.130 4.761 4.640 -0.014 0.000 0.245 110 D C 1.056 177.326 176.300 -0.049 0.000 1.263 110 D CA -0.262 53.708 54.000 -0.050 0.000 0.936 110 D CB 0.532 41.307 40.800 -0.041 0.000 1.053 110 D HN 0.288 nan 8.370 nan 0.000 0.507 111 I N 2.655 123.193 120.570 -0.052 0.000 2.226 111 I HA -0.215 3.947 4.170 -0.014 0.000 0.245 111 I C 1.387 177.482 176.117 -0.037 0.000 1.100 111 I CA 0.931 62.200 61.300 -0.052 0.000 1.374 111 I CB -0.727 37.243 38.000 -0.050 0.000 1.057 111 I HN 0.344 nan 8.210 nan 0.000 0.413 112 D N 0.598 120.981 120.400 -0.030 0.000 2.263 112 D HA -0.130 4.502 4.640 -0.014 0.000 0.208 112 D C 1.721 178.010 176.300 -0.017 0.000 0.971 112 D CA 0.921 54.909 54.000 -0.021 0.000 0.867 112 D CB -0.253 40.535 40.800 -0.019 0.000 0.929 112 D HN 0.439 nan 8.370 nan 0.000 0.492 113 N N -0.219 118.469 118.700 -0.020 0.000 2.197 113 N HA 0.029 4.760 4.740 -0.014 0.000 0.201 113 N C 0.040 175.543 175.510 -0.012 0.000 1.148 113 N CA -0.180 52.861 53.050 -0.015 0.000 0.883 113 N CB 1.377 39.855 38.487 -0.016 0.000 1.012 113 N HN 0.135 nan 8.380 nan 0.000 0.507 114 L N 3.223 124.436 121.223 -0.017 0.000 2.385 114 L HA 0.265 4.596 4.340 -0.014 0.000 0.281 114 L C -0.141 176.732 176.870 0.005 0.000 1.106 114 L CA 0.063 54.898 54.840 -0.008 0.000 0.856 114 L CB 0.114 42.156 42.059 -0.028 0.000 1.186 114 L HN 0.011 nan 8.230 nan 0.000 0.453 115 L N 5.363 126.597 121.223 0.018 0.000 2.456 115 L HA 0.133 4.464 4.340 -0.014 0.000 0.272 115 L C 0.103 177.003 176.870 0.051 0.000 1.189 115 L CA 0.146 55.000 54.840 0.024 0.000 0.846 115 L CB 1.029 43.099 42.059 0.019 0.000 1.111 115 L HN 0.738 nan 8.230 nan 0.000 0.475 116 C N 2.777 122.103 119.300 0.045 0.000 2.891 116 C HA 0.664 5.115 4.460 -0.014 0.000 0.342 116 C C -0.505 174.509 174.990 0.041 0.000 1.126 116 C CA -0.428 58.633 59.018 0.073 0.000 1.322 116 C CB 1.575 29.345 27.740 0.050 0.000 1.763 116 C HN 0.823 nan 8.230 nan 0.000 0.491 117 S N 3.762 119.484 115.700 0.036 0.000 2.575 117 S HA 0.562 5.024 4.470 -0.014 0.000 0.278 117 S C -1.368 173.201 174.600 -0.051 0.000 1.139 117 S CA -0.290 57.904 58.200 -0.011 0.000 0.954 117 S CB 1.481 64.660 63.200 -0.034 0.000 1.054 117 S HN 0.859 nan 8.310 nan 0.000 0.483 118 Q N 4.786 124.534 119.800 -0.085 0.000 2.465 118 Q HA 0.358 4.690 4.340 -0.014 0.000 0.237 118 Q C -2.284 173.657 176.000 -0.097 0.000 1.051 118 Q CA -1.902 53.765 55.803 -0.226 0.000 0.874 118 Q CB 1.310 29.843 28.738 -0.342 0.000 1.207 118 Q HN 0.505 nan 8.270 nan 0.000 0.508 119 P HA 0.113 nan 4.420 nan 0.000 0.276 119 P C -0.383 176.966 177.300 0.083 0.000 1.252 119 P CA -0.253 62.825 63.100 -0.037 0.000 0.802 119 P CB 1.426 33.061 31.700 -0.108 0.000 1.035 120 D N -1.015 119.415 120.400 0.051 0.000 2.269 120 D HA 0.001 4.632 4.640 -0.014 0.000 0.220 120 D C 1.006 177.342 176.300 0.060 0.000 0.962 120 D CA 1.407 55.460 54.000 0.088 0.000 0.884 120 D CB -0.276 40.573 40.800 0.082 0.000 1.023 120 D HN 0.506 nan 8.370 nan 0.000 0.484 121 T N -2.715 111.851 114.554 0.020 0.000 2.948 121 T HA 0.536 4.877 4.350 -0.014 0.000 0.285 121 T C 1.386 176.078 174.700 -0.014 0.000 1.019 121 T CA -0.286 61.822 62.100 0.013 0.000 1.013 121 T CB 1.916 70.797 68.868 0.022 0.000 1.117 121 T HN -0.033 nan 8.240 nan 0.000 0.533 122 G N 0.110 108.909 108.800 -0.001 0.000 2.394 122 G HA2 -0.071 3.881 3.960 -0.014 0.000 0.215 122 G HA3 -0.071 3.881 3.960 -0.014 0.000 0.215 122 G C 1.159 176.042 174.900 -0.029 0.000 1.165 122 G CA 0.545 45.642 45.100 -0.006 0.000 0.784 122 G HN 0.796 nan 8.290 nan 0.000 0.535 123 E N 0.091 120.278 120.200 -0.022 0.000 2.085 123 E HA -0.155 4.187 4.350 -0.014 0.000 0.194 123 E C 2.391 178.944 176.600 -0.078 0.000 0.994 123 E CA 1.325 57.715 56.400 -0.016 0.000 0.801 123 E CB -0.229 29.487 29.700 0.026 0.000 0.743 123 E HN 0.644 nan 8.360 nan 0.000 0.453 124 Q N 0.316 120.012 119.800 -0.174 0.000 2.030 124 Q HA -0.243 4.089 4.340 -0.014 0.000 0.204 124 Q C 2.177 177.899 176.000 -0.463 0.000 0.986 124 Q CA 1.821 57.285 55.803 -0.566 0.000 0.843 124 Q CB -0.261 28.123 28.738 -0.590 0.000 0.904 124 Q HN 0.303 nan 8.270 nan 0.000 0.420 125 A N 0.708 123.378 122.820 -0.249 0.000 1.892 125 A HA -0.213 4.098 4.320 -0.014 0.000 0.218 125 A C 2.073 179.583 177.584 -0.123 0.000 1.188 125 A CA 1.785 53.721 52.037 -0.167 0.000 0.631 125 A CB -0.840 18.107 19.000 -0.088 0.000 0.822 125 A HN 0.475 nan 8.150 nan 0.000 0.447 126 L N -1.193 119.986 121.223 -0.073 0.000 2.072 126 L HA -0.102 4.230 4.340 -0.014 0.000 0.205 126 L C 2.645 179.499 176.870 -0.026 0.000 1.079 126 L CA 1.055 55.884 54.840 -0.018 0.000 0.752 126 L CB -0.517 41.550 42.059 0.014 0.000 0.906 126 L HN 0.277 nan 8.230 nan 0.000 0.436 127 E N 0.518 120.694 120.200 -0.040 0.000 2.085 127 E HA -0.217 4.124 4.350 -0.014 0.000 0.194 127 E C 2.281 178.888 176.600 0.012 0.000 0.994 127 E CA 1.362 57.774 56.400 0.020 0.000 0.801 127 E CB -0.197 29.575 29.700 0.119 0.000 0.743 127 E HN 0.487 nan 8.360 nan 0.000 0.453 128 I N 0.253 120.772 120.570 -0.084 0.000 2.163 128 I HA -0.368 3.794 4.170 -0.014 0.000 0.243 128 I C 2.616 178.713 176.117 -0.034 0.000 1.085 128 I CA 0.944 62.208 61.300 -0.060 0.000 1.347 128 I CB -0.313 37.607 38.000 -0.134 0.000 1.044 128 I HN 0.149 nan 8.210 nan 0.000 0.408 129 C N 0.370 119.638 119.300 -0.054 0.000 2.393 129 C HA -0.250 4.201 4.460 -0.014 0.000 0.276 129 C C 2.600 177.579 174.990 -0.018 0.000 1.215 129 C CA 1.408 60.396 59.018 -0.051 0.000 1.743 129 C CB -1.055 26.649 27.740 -0.060 0.000 2.044 129 C HN 0.547 nan 8.230 nan 0.000 0.464 130 D N 0.268 120.669 120.400 0.000 0.000 2.149 130 D HA -0.103 4.528 4.640 -0.014 0.000 0.198 130 D C 2.144 178.456 176.300 0.020 0.000 0.990 130 D CA 1.631 55.640 54.000 0.014 0.000 0.839 130 D CB -0.191 40.623 40.800 0.024 0.000 0.948 130 D HN 0.462 nan 8.370 nan 0.000 0.460 131 A N -0.082 122.756 122.820 0.029 0.000 1.873 131 A HA -0.078 4.234 4.320 -0.014 0.000 0.215 131 A C 2.404 180.000 177.584 0.019 0.000 1.186 131 A CA 0.992 53.050 52.037 0.034 0.000 0.616 131 A CB -0.779 18.256 19.000 0.058 0.000 0.823 131 A HN 0.324 nan 8.150 nan 0.000 0.442 132 L N -0.804 120.423 121.223 0.007 0.000 2.141 132 L HA -0.147 4.185 4.340 -0.014 0.000 0.209 132 L C 3.029 179.896 176.870 -0.005 0.000 1.094 132 L CA 0.787 55.626 54.840 -0.002 0.000 0.763 132 L CB -0.588 41.461 42.059 -0.016 0.000 0.908 132 L HN 0.460 nan 8.230 nan 0.000 0.437 133 A N 0.301 123.118 122.820 -0.005 0.000 1.832 133 A HA -0.197 4.114 4.320 -0.014 0.000 0.214 133 A C 2.397 179.984 177.584 0.005 0.000 1.200 133 A CA 1.361 53.397 52.037 -0.002 0.000 0.610 133 A CB -0.557 18.444 19.000 0.001 0.000 0.842 133 A HN 0.239 nan 8.150 nan 0.000 0.444 134 R N 0.188 120.694 120.500 0.010 0.000 2.139 134 R HA -0.158 4.173 4.340 -0.014 0.000 0.243 134 R C 2.594 178.901 176.300 0.011 0.000 1.145 134 R CA 1.686 57.794 56.100 0.012 0.000 0.976 134 R CB -0.403 29.907 30.300 0.016 0.000 0.866 134 R HN 0.767 nan 8.270 nan 0.000 0.449 135 S N -0.799 114.907 115.700 0.010 0.000 2.400 135 S HA -0.096 4.365 4.470 -0.014 0.000 0.232 135 S C 1.656 176.260 174.600 0.006 0.000 1.025 135 S CA 1.175 59.381 58.200 0.009 0.000 0.993 135 S CB -0.326 62.880 63.200 0.009 0.000 0.808 135 S HN 0.540 nan 8.310 nan 0.000 0.478 136 G N 0.600 109.403 108.800 0.005 0.000 2.166 136 G HA2 -0.206 3.745 3.960 -0.014 0.000 0.260 136 G HA3 -0.206 3.745 3.960 -0.014 0.000 0.260 136 G C 0.804 175.705 174.900 0.001 0.000 0.986 136 G CA 0.511 45.613 45.100 0.003 0.000 0.683 136 G HN 1.322 nan 8.290 nan 0.000 0.527 137 A N -1.117 121.704 122.820 0.001 0.000 1.956 137 A HA 0.636 4.948 4.320 -0.014 0.000 0.212 137 A C 1.266 178.849 177.584 -0.003 0.000 1.188 137 A CA 1.398 53.435 52.037 0.000 0.000 0.675 137 A CB 0.354 19.355 19.000 0.002 0.000 0.845 137 A HN 0.999 nan 8.150 nan 0.000 0.455 138 V N 1.411 121.323 119.914 -0.005 0.000 2.546 138 V HA 0.164 4.276 4.120 -0.014 0.000 0.284 138 V C 0.298 176.385 176.094 -0.011 0.000 1.050 138 V CA -0.251 62.044 62.300 -0.009 0.000 0.981 138 V CB 1.413 33.227 31.823 -0.014 0.000 0.990 138 V HN 0.444 nan 8.190 nan 0.000 0.474 139 D N 1.769 122.162 120.400 -0.012 0.000 2.323 139 D HA 0.104 4.735 4.640 -0.014 0.000 0.218 139 D C 0.210 176.499 176.300 -0.018 0.000 0.973 139 D CA 1.014 55.007 54.000 -0.012 0.000 0.890 139 D CB 1.572 42.366 40.800 -0.011 0.000 1.011 139 D HN 0.369 nan 8.370 nan 0.000 0.499 140 V N 1.428 121.329 119.914 -0.022 0.000 2.623 140 V HA 0.445 4.556 4.120 -0.014 0.000 0.304 140 V C -1.613 174.454 176.094 -0.045 0.000 1.054 140 V CA -0.651 61.630 62.300 -0.032 0.000 0.882 140 V CB 1.813 33.623 31.823 -0.022 0.000 1.002 140 V HN -0.108 nan 8.190 nan 0.000 0.424 141 I N 6.850 127.369 120.570 -0.085 0.000 2.465 141 I HA 0.656 4.817 4.170 -0.014 0.000 0.291 141 I C -0.558 175.430 176.117 -0.214 0.000 1.014 141 I CA -1.015 60.205 61.300 -0.133 0.000 1.093 141 I CB 2.031 39.937 38.000 -0.156 0.000 1.267 141 I HN 0.558 nan 8.210 nan 0.000 0.431 142 V N 7.165 126.923 119.914 -0.261 0.000 2.604 142 V HA 0.601 4.713 4.120 -0.014 0.000 0.305 142 V C -0.959 174.772 176.094 -0.604 0.000 1.043 142 V CA -0.378 61.685 62.300 -0.395 0.000 0.888 142 V CB 2.125 33.783 31.823 -0.274 0.000 0.995 142 V HN 0.436 nan 8.190 nan 0.000 0.429 143 V N 5.556 125.125 119.914 -0.575 0.000 2.347 143 V HA 0.416 4.527 4.120 -0.014 0.000 0.280 143 V C -0.255 175.621 176.094 -0.363 0.000 1.021 143 V CA -0.402 61.608 62.300 -0.483 0.000 0.847 143 V CB 1.347 32.920 31.823 -0.416 0.000 0.990 143 V HN 0.968 nan 8.190 nan 0.000 0.444 144 D N 3.532 123.681 120.400 -0.419 0.000 2.365 144 D HA 0.328 4.959 4.640 -0.014 0.000 0.237 144 D C 0.062 176.318 176.300 -0.074 0.000 1.190 144 D CA 0.706 54.582 54.000 -0.207 0.000 0.867 144 D CB 0.584 41.322 40.800 -0.104 0.000 1.050 144 D HN 0.650 nan 8.370 nan 0.000 0.491 145 S N 1.238 116.918 115.700 -0.032 0.000 3.392 145 S HA -0.148 4.314 4.470 -0.014 0.000 0.693 145 S C 1.205 175.815 174.600 0.016 0.000 0.620 145 S CA 0.352 58.535 58.200 -0.028 0.000 1.452 145 S CB -1.025 62.116 63.200 -0.099 0.000 0.988 145 S HN 0.539 nan 8.310 nan 0.000 0.932 146 V N 2.231 122.175 119.914 0.050 0.000 2.626 146 V HA -0.033 4.078 4.120 -0.014 0.000 0.252 146 V C 2.333 178.430 176.094 0.006 0.000 1.067 146 V CA 2.329 64.658 62.300 0.047 0.000 1.081 146 V CB -1.119 30.696 31.823 -0.012 0.000 0.686 146 V HN 1.420 nan 8.190 nan 0.000 0.468 147 A N 0.905 123.710 122.820 -0.026 0.000 1.958 147 A HA -0.083 4.229 4.320 -0.014 0.000 0.221 147 A C 2.357 179.996 177.584 0.092 0.000 1.178 147 A CA 2.566 54.596 52.037 -0.012 0.000 0.642 147 A CB -1.064 17.872 19.000 -0.106 0.000 0.816 147 A HN 1.275 nan 8.150 nan 0.000 0.453 148 A N -1.619 121.251 122.820 0.083 0.000 2.251 148 A HA 0.447 4.758 4.320 -0.014 0.000 0.209 148 A C 0.543 178.202 177.584 0.124 0.000 1.187 148 A CA -0.072 52.067 52.037 0.171 0.000 0.823 148 A CB -0.206 18.885 19.000 0.152 0.000 0.846 148 A HN 0.282 nan 8.150 nan 0.000 0.486 149 L N 2.326 123.595 121.223 0.077 0.000 2.416 149 L HA 0.139 4.470 4.340 -0.014 0.000 0.243 149 L C 0.186 177.083 176.870 0.045 0.000 1.373 149 L CA 0.550 55.422 54.840 0.054 0.000 1.227 149 L CB -1.053 41.030 42.059 0.041 0.000 1.428 149 L HN 0.098 nan 8.230 nan 0.000 0.425 150 T N 2.909 117.498 114.554 0.057 0.000 2.769 150 T HA 0.190 4.531 4.350 -0.014 0.000 0.293 150 T C -2.149 172.562 174.700 0.019 0.000 0.931 150 T CA -0.996 61.130 62.100 0.043 0.000 1.139 150 T CB 0.332 69.228 68.868 0.048 0.000 0.881 150 T HN 0.167 nan 8.240 nan 0.000 0.532 151 P HA 0.094 nan 4.420 nan 0.000 0.268 151 P C 0.999 178.281 177.300 -0.029 0.000 1.208 151 P CA -0.443 62.647 63.100 -0.017 0.000 0.777 151 P CB 0.739 32.419 31.700 -0.034 0.000 0.875 152 K N 2.307 122.693 120.400 -0.023 0.000 2.009 152 K HA -0.231 4.081 4.320 -0.014 0.000 0.210 152 K C 1.816 178.387 176.600 -0.048 0.000 1.049 152 K CA 1.998 58.275 56.287 -0.015 0.000 0.929 152 K CB -0.707 31.795 32.500 0.004 0.000 0.714 152 K HN 0.471 nan 8.250 nan 0.000 0.440 153 A N 0.908 123.674 122.820 -0.091 0.000 2.019 153 A HA -0.222 4.090 4.320 -0.014 0.000 0.219 153 A C 1.938 179.380 177.584 -0.237 0.000 1.164 153 A CA 1.892 53.838 52.037 -0.150 0.000 0.644 153 A CB -0.482 18.407 19.000 -0.185 0.000 0.805 153 A HN 0.594 nan 8.150 nan 0.000 0.449 154 E N 0.024 120.076 120.200 -0.247 0.000 2.072 154 E HA -0.134 4.207 4.350 -0.014 0.000 0.191 154 E C 1.795 178.375 176.600 -0.034 0.000 0.985 154 E CA 1.347 57.634 56.400 -0.190 0.000 0.801 154 E CB -0.233 29.429 29.700 -0.063 0.000 0.750 154 E HN 0.705 nan 8.360 nan 0.000 0.452 155 I N 0.833 121.389 120.570 -0.023 0.000 2.193 155 I HA -0.193 3.968 4.170 -0.014 0.000 0.240 155 I C 2.375 178.494 176.117 0.003 0.000 1.084 155 I CA 0.842 62.144 61.300 0.003 0.000 1.365 155 I CB -0.510 37.495 38.000 0.009 0.000 1.064 155 I HN 0.038 nan 8.210 nan 0.000 0.410 156 E N 1.590 121.784 120.200 -0.010 0.000 2.114 156 E HA -0.153 4.189 4.350 -0.014 0.000 0.199 156 E C 1.539 178.141 176.600 0.003 0.000 1.008 156 E CA 1.367 57.764 56.400 -0.004 0.000 0.810 156 E CB -0.545 29.147 29.700 -0.014 0.000 0.739 156 E HN 0.587 nan 8.360 nan 0.000 0.456 157 G N 0.520 109.318 108.800 -0.003 0.000 2.514 157 G HA2 0.040 3.992 3.960 -0.014 0.000 0.245 157 G HA3 0.040 3.992 3.960 -0.014 0.000 0.245 157 G C 0.333 175.271 174.900 0.064 0.000 1.488 157 G CA -0.432 44.688 45.100 0.034 0.000 1.063 157 G HN 0.021 nan 8.290 nan 0.000 0.557 158 E N -1.515 118.743 120.200 0.098 0.000 2.561 158 E HA 0.384 4.726 4.350 -0.014 0.000 0.254 158 E C -0.529 176.132 176.600 0.101 0.000 1.213 158 E CA -0.522 55.935 56.400 0.096 0.000 0.995 158 E CB 1.367 31.122 29.700 0.092 0.000 1.233 158 E HN 0.139 nan 8.360 nan 0.000 0.556 159 I N 0.570 121.192 120.570 0.085 0.000 2.330 159 I HA 0.307 4.468 4.170 -0.014 0.000 0.289 159 I C 0.740 176.885 176.117 0.047 0.000 1.001 159 I CA 0.464 61.799 61.300 0.058 0.000 1.193 159 I CB 1.150 39.174 38.000 0.041 0.000 1.345 159 I HN 0.790 nan 8.210 nan 0.000 0.461 160 G N 5.450 114.258 108.800 0.013 0.000 3.154 160 G HA2 -0.161 3.790 3.960 -0.014 0.000 0.114 160 G HA3 -0.161 3.790 3.960 -0.014 0.000 0.114 160 G C -0.741 174.131 174.900 -0.048 0.000 2.421 160 G CA -0.458 44.638 45.100 -0.007 0.000 1.271 160 G HN 0.571 nan 8.290 nan 0.000 0.371 161 D N 2.368 122.741 120.400 -0.045 0.000 2.351 161 D HA 0.557 5.188 4.640 -0.014 0.000 0.251 161 D C 0.909 177.048 176.300 -0.267 0.000 1.137 161 D CA 0.523 54.466 54.000 -0.095 0.000 0.879 161 D CB 1.589 42.367 40.800 -0.037 0.000 1.181 161 D HN 0.686 nan 8.370 nan 0.000 0.448 162 S N 1.651 117.114 115.700 -0.394 0.000 2.561 162 S HA 0.454 4.916 4.470 -0.014 0.000 0.282 162 S C 0.183 174.202 174.600 -0.968 0.000 1.123 162 S CA -0.689 57.003 58.200 -0.847 0.000 1.011 162 S CB 0.760 63.731 63.200 -0.382 0.000 1.244 162 S HN 0.751 nan 8.310 nan 0.000 0.503 163 H N -0.779 118.293 119.070 0.004 0.000 3.757 163 H HA 0.187 4.735 4.556 -0.014 0.000 0.214 163 H C -0.656 174.674 175.328 0.002 0.000 1.275 163 H CA -0.667 55.383 56.048 0.004 0.000 1.205 163 H CB -0.982 28.783 29.762 0.004 0.000 2.906 163 H HN 0.408 nan 8.280 nan 0.000 0.550 164 M N 1.452 121.064 119.600 0.019 0.000 2.290 164 M HA -0.077 4.394 4.480 -0.014 0.000 0.459 164 M C 1.345 177.671 176.300 0.042 0.000 1.487 164 M CA 2.057 57.368 55.300 0.020 0.000 0.793 164 M CB -0.702 31.898 32.600 -0.001 0.000 2.031 164 M HN 0.839 nan 8.290 nan 0.000 0.525 165 G N 3.652 112.477 108.800 0.042 0.000 2.273 165 G HA2 -0.222 3.730 3.960 -0.014 0.000 0.280 165 G HA3 -0.222 3.730 3.960 -0.014 0.000 0.280 165 G C 0.328 175.249 174.900 0.035 0.000 1.047 165 G CA 0.137 45.255 45.100 0.030 0.000 0.869 165 G HN 0.693 nan 8.290 nan 0.000 0.502 166 L N -0.449 120.807 121.223 0.055 0.000 2.591 166 L HA 0.670 5.002 4.340 -0.014 0.000 0.228 166 L C 2.350 179.229 176.870 0.015 0.000 1.133 166 L CA 2.045 56.905 54.840 0.035 0.000 0.880 166 L CB -0.188 41.895 42.059 0.039 0.000 1.033 166 L HN 0.526 nan 8.230 nan 0.000 0.450 167 A N -1.205 121.628 122.820 0.021 0.000 2.014 167 A HA 0.348 4.659 4.320 -0.014 0.000 0.210 167 A C 2.303 179.879 177.584 -0.013 0.000 1.188 167 A CA 0.780 52.820 52.037 0.005 0.000 0.731 167 A CB -0.400 18.609 19.000 0.016 0.000 0.858 167 A HN 0.368 nan 8.150 nan 0.000 0.464 168 A N 0.117 122.932 122.820 -0.008 0.000 1.929 168 A HA -0.051 4.261 4.320 -0.014 0.000 0.216 168 A C 2.171 179.743 177.584 -0.020 0.000 1.176 168 A CA 1.502 53.529 52.037 -0.018 0.000 0.628 168 A CB -0.410 18.586 19.000 -0.006 0.000 0.816 168 A HN 0.475 nan 8.150 nan 0.000 0.444 169 R N -0.809 119.685 120.500 -0.010 0.000 2.115 169 R HA -0.043 4.288 4.340 -0.014 0.000 0.230 169 R C 2.168 178.454 176.300 -0.023 0.000 1.111 169 R CA 1.522 57.615 56.100 -0.012 0.000 0.976 169 R CB -0.295 30.003 30.300 -0.002 0.000 0.870 169 R HN 0.612 nan 8.270 nan 0.000 0.445 170 M N -0.321 119.264 119.600 -0.024 0.000 2.099 170 M HA -0.181 4.291 4.480 -0.014 0.000 0.262 170 M C 1.754 178.022 176.300 -0.054 0.000 1.067 170 M CA 1.508 56.789 55.300 -0.031 0.000 1.124 170 M CB 0.029 32.616 32.600 -0.023 0.000 1.353 170 M HN 0.211 nan 8.290 nan 0.000 0.410 171 M N -0.401 119.156 119.600 -0.072 0.000 2.108 171 M HA -0.198 4.273 4.480 -0.014 0.000 0.261 171 M C 2.374 178.589 176.300 -0.141 0.000 1.066 171 M CA 1.598 56.824 55.300 -0.123 0.000 1.107 171 M CB -1.373 31.144 32.600 -0.138 0.000 1.356 171 M HN 0.352 nan 8.290 nan 0.000 0.406 172 S N -0.264 115.380 115.700 -0.094 0.000 2.382 172 S HA -0.177 4.284 4.470 -0.014 0.000 0.228 172 S C 1.849 176.386 174.600 -0.106 0.000 1.027 172 S CA 1.251 59.400 58.200 -0.084 0.000 0.991 172 S CB -0.123 63.060 63.200 -0.028 0.000 0.823 172 S HN 0.512 nan 8.310 nan 0.000 0.469 173 Q N 0.191 119.944 119.800 -0.079 0.000 2.083 173 Q HA -0.024 4.307 4.340 -0.014 0.000 0.198 173 Q C 2.203 178.147 176.000 -0.093 0.000 0.969 173 Q CA 1.190 56.953 55.803 -0.066 0.000 0.838 173 Q CB -0.326 28.390 28.738 -0.037 0.000 0.900 173 Q HN 0.577 nan 8.270 nan 0.000 0.436 174 A N 0.945 123.703 122.820 -0.104 0.000 1.883 174 A HA -0.218 4.093 4.320 -0.014 0.000 0.217 174 A C 2.044 179.527 177.584 -0.168 0.000 1.186 174 A CA 1.639 53.618 52.037 -0.096 0.000 0.624 174 A CB -0.535 18.423 19.000 -0.070 0.000 0.822 174 A HN 0.391 nan 8.150 nan 0.000 0.444 175 M N -0.406 118.998 119.600 -0.326 0.000 2.073 175 M HA -0.189 4.282 4.480 -0.014 0.000 0.258 175 M C 2.164 178.114 176.300 -0.584 0.000 1.070 175 M CA 1.763 56.670 55.300 -0.655 0.000 1.103 175 M CB -1.454 30.393 32.600 -1.256 0.000 1.321 175 M HN 0.427 nan 8.290 nan 0.000 0.405 176 R N -0.005 120.265 120.500 -0.383 0.000 2.096 176 R HA -0.179 4.152 4.340 -0.014 0.000 0.240 176 R C 2.293 178.571 176.300 -0.036 0.000 1.139 176 R CA 1.638 57.683 56.100 -0.091 0.000 0.952 176 R CB -0.350 29.938 30.300 -0.019 0.000 0.854 176 R HN 0.452 nan 8.270 nan 0.000 0.436 177 K N 0.321 120.689 120.400 -0.053 0.000 2.097 177 K HA -0.069 4.243 4.320 -0.014 0.000 0.205 177 K C 2.142 178.739 176.600 -0.005 0.000 1.050 177 K CA 1.013 57.291 56.287 -0.016 0.000 0.938 177 K CB -0.016 32.476 32.500 -0.013 0.000 0.718 177 K HN 0.182 nan 8.250 nan 0.000 0.442 178 L N 0.243 121.452 121.223 -0.022 0.000 2.095 178 L HA -0.053 4.278 4.340 -0.014 0.000 0.204 178 L C 2.591 179.483 176.870 0.035 0.000 1.080 178 L CA 0.640 55.485 54.840 0.009 0.000 0.759 178 L CB -0.599 41.474 42.059 0.023 0.000 0.914 178 L HN 0.139 nan 8.230 nan 0.000 0.439 179 A N 0.904 123.754 122.820 0.050 0.000 1.884 179 A HA -0.244 4.068 4.320 -0.014 0.000 0.219 179 A C 2.381 180.016 177.584 0.086 0.000 1.197 179 A CA 2.283 54.390 52.037 0.117 0.000 0.637 179 A CB -1.485 17.653 19.000 0.230 0.000 0.827 179 A HN 0.448 nan 8.150 nan 0.000 0.450 180 G N -0.732 108.110 108.800 0.071 0.000 2.421 180 G HA2 -0.287 3.664 3.960 -0.014 0.000 0.216 180 G HA3 -0.287 3.664 3.960 -0.014 0.000 0.216 180 G C 1.434 176.357 174.900 0.039 0.000 1.171 180 G CA 1.122 46.253 45.100 0.052 0.000 0.775 180 G HN 0.724 nan 8.290 nan 0.000 0.543 181 N N -0.242 118.478 118.700 0.033 0.000 2.309 181 N HA 0.058 4.789 4.740 -0.014 0.000 0.182 181 N C 2.102 177.627 175.510 0.024 0.000 1.018 181 N CA 0.172 53.238 53.050 0.025 0.000 0.876 181 N CB -0.050 38.450 38.487 0.021 0.000 0.972 181 N HN 0.249 nan 8.380 nan 0.000 0.434 182 L N 0.284 121.525 121.223 0.031 0.000 2.162 182 L HA -0.033 4.298 4.340 -0.014 0.000 0.205 182 L C 2.319 179.206 176.870 0.029 0.000 1.086 182 L CA 0.730 55.587 54.840 0.028 0.000 0.778 182 L CB -0.064 42.018 42.059 0.038 0.000 0.928 182 L HN 0.018 nan 8.230 nan 0.000 0.446 183 K N 0.577 120.999 120.400 0.036 0.000 2.031 183 K HA -0.154 4.157 4.320 -0.014 0.000 0.205 183 K C 2.041 178.656 176.600 0.024 0.000 1.049 183 K CA 1.518 57.824 56.287 0.032 0.000 0.939 183 K CB -0.162 32.361 32.500 0.038 0.000 0.717 183 K HN 0.100 nan 8.250 nan 0.000 0.438 184 Q N -0.420 119.394 119.800 0.023 0.000 2.437 184 Q HA 0.034 4.366 4.340 -0.014 0.000 0.210 184 Q C 1.038 177.046 176.000 0.014 0.000 0.972 184 Q CA 1.320 57.134 55.803 0.018 0.000 0.903 184 Q CB 0.224 28.973 28.738 0.018 0.000 0.967 184 Q HN 0.218 nan 8.270 nan 0.000 0.486 185 S N 0.008 115.716 115.700 0.014 0.000 2.524 185 S HA 0.041 4.502 4.470 -0.014 0.000 0.215 185 S C 0.215 174.819 174.600 0.008 0.000 0.986 185 S CA -0.198 58.007 58.200 0.010 0.000 0.911 185 S CB 0.307 63.512 63.200 0.008 0.000 0.805 185 S HN 0.409 nan 8.310 nan 0.000 0.501 186 N N 2.539 121.245 118.700 0.010 0.000 2.705 186 N HA -0.138 4.593 4.740 -0.014 0.000 0.255 186 N C -1.354 174.159 175.510 0.005 0.000 1.008 186 N CA 0.741 53.796 53.050 0.009 0.000 0.742 186 N CB -1.448 37.043 38.487 0.007 0.000 0.906 186 N HN 0.284 nan 8.380 nan 0.000 0.541 187 T N 1.144 115.700 114.554 0.004 0.000 2.792 187 T HA 0.460 4.801 4.350 -0.014 0.000 0.280 187 T C 0.207 174.903 174.700 -0.006 0.000 0.990 187 T CA -0.725 61.372 62.100 -0.005 0.000 0.960 187 T CB 1.736 70.599 68.868 -0.009 0.000 0.939 187 T HN 0.281 nan 8.240 nan 0.000 0.439 188 L N 4.275 125.490 121.223 -0.014 0.000 2.349 188 L HA 0.609 4.941 4.340 -0.014 0.000 0.275 188 L C -0.952 175.889 176.870 -0.049 0.000 1.115 188 L CA -0.296 54.533 54.840 -0.017 0.000 0.820 188 L CB 0.412 42.463 42.059 -0.014 0.000 1.135 188 L HN 0.641 nan 8.230 nan 0.000 0.445 189 L N 6.570 127.761 121.223 -0.053 0.000 2.376 189 L HA 0.552 4.884 4.340 -0.014 0.000 0.275 189 L C -1.138 175.643 176.870 -0.148 0.000 0.987 189 L CA -0.460 54.291 54.840 -0.147 0.000 0.828 189 L CB 1.416 43.381 42.059 -0.156 0.000 1.249 189 L HN 0.655 nan 8.230 nan 0.000 0.409 190 I N 4.309 124.743 120.570 -0.227 0.000 2.362 190 I HA 0.312 4.473 4.170 -0.014 0.000 0.289 190 I C -0.894 175.056 176.117 -0.278 0.000 0.994 190 I CA -0.325 60.891 61.300 -0.141 0.000 1.158 190 I CB 1.431 39.389 38.000 -0.071 0.000 1.315 190 I HN 0.375 nan 8.210 nan 0.000 0.451 191 F N 6.458 126.388 119.950 -0.032 0.000 2.405 191 F HA 0.473 4.991 4.527 -0.014 0.000 0.355 191 F C 0.414 176.202 175.800 -0.020 0.000 1.121 191 F CA -0.445 57.529 58.000 -0.043 0.000 1.112 191 F CB 0.974 39.958 39.000 -0.026 0.000 1.126 191 F HN 0.215 nan 8.300 nan 0.000 0.481 192 I N 3.462 124.100 120.570 0.112 0.000 2.395 192 I HA 0.205 4.366 4.170 -0.014 0.000 0.289 192 I C -0.188 175.989 176.117 0.099 0.000 1.023 192 I CA -0.069 61.288 61.300 0.095 0.000 1.350 192 I CB 1.062 39.091 38.000 0.049 0.000 1.409 192 I HN 0.652 nan 8.210 nan 0.000 0.507 193 N N 4.155 122.918 118.700 0.105 0.000 2.262 193 N HA 0.377 5.108 4.740 -0.014 0.000 0.295 193 N C -1.291 174.214 175.510 -0.008 0.000 1.161 193 N CA -0.697 52.376 53.050 0.039 0.000 0.767 193 N CB 1.781 40.298 38.487 0.051 0.000 1.499 193 N HN 0.540 nan 8.380 nan 0.000 0.476 194 Q N 0.953 120.627 119.800 -0.209 0.000 2.180 194 Q HA 0.495 4.826 4.340 -0.014 0.000 0.241 194 Q C -0.623 175.153 176.000 -0.374 0.000 0.970 194 Q CA -0.631 54.843 55.803 -0.549 0.000 0.919 194 Q CB 2.048 30.066 28.738 -1.201 0.000 1.222 194 Q HN 0.475 nan 8.270 nan 0.000 0.482 195 I N 1.567 121.936 120.570 -0.335 0.000 2.359 195 I HA 0.347 4.508 4.170 -0.014 0.000 0.294 195 I C 0.018 176.102 176.117 -0.054 0.000 0.987 195 I CA -0.628 60.644 61.300 -0.046 0.000 1.225 195 I CB 0.739 38.865 38.000 0.211 0.000 1.366 195 I HN 0.344 nan 8.210 nan 0.000 0.466 196 R N 4.947 125.413 120.500 -0.057 0.000 2.923 196 R HA 0.668 4.999 4.340 -0.014 0.000 0.252 196 R C -1.045 175.254 176.300 -0.002 0.000 1.130 196 R CA -1.284 54.807 56.100 -0.015 0.000 1.043 196 R CB 1.567 31.839 30.300 -0.046 0.000 1.205 196 R HN 0.480 nan 8.270 nan 0.000 0.495 197 M N 1.748 121.350 119.600 0.004 0.000 2.114 197 M HA 0.280 4.751 4.480 -0.014 0.000 0.332 197 M C -0.342 175.944 176.300 -0.024 0.000 1.014 197 M CA -0.323 54.973 55.300 -0.007 0.000 0.956 197 M CB 1.277 33.880 32.600 0.005 0.000 1.551 197 M HN 0.200 nan 8.290 nan 0.000 0.427 198 K N 5.038 125.414 120.400 -0.039 0.000 2.402 198 K HA 0.283 4.594 4.320 -0.014 0.000 0.285 198 K C -0.414 176.153 176.600 -0.055 0.000 1.054 198 K CA -0.319 55.940 56.287 -0.046 0.000 1.001 198 K CB -0.515 31.950 32.500 -0.059 0.000 0.946 198 K HN 0.703 nan 8.250 nan 0.000 0.473 199 I N -0.380 120.168 120.570 -0.038 0.000 2.815 199 I HA 0.053 4.215 4.170 -0.014 0.000 0.291 199 I C 1.024 177.106 176.117 -0.058 0.000 1.209 199 I CA 0.285 61.563 61.300 -0.035 0.000 1.431 199 I CB -0.266 37.724 38.000 -0.016 0.000 1.351 199 I HN 0.866 nan 8.210 nan 0.000 0.585 200 G N 4.362 113.127 108.800 -0.058 0.000 2.424 200 G HA2 -0.192 3.759 3.960 -0.014 0.000 0.290 200 G HA3 -0.192 3.759 3.960 -0.014 0.000 0.290 200 G C -0.037 174.774 174.900 -0.147 0.000 0.912 200 G CA 0.517 45.576 45.100 -0.069 0.000 1.142 200 G HN 1.004 nan 8.290 nan 0.000 0.501 201 V N 3.106 122.852 119.914 -0.280 0.000 2.334 201 V HA 0.563 4.675 4.120 -0.014 0.000 0.267 201 V C 0.882 176.580 176.094 -0.660 0.000 1.040 201 V CA -0.932 60.955 62.300 -0.689 0.000 0.866 201 V CB 0.637 32.071 31.823 -0.649 0.000 1.019 201 V HN 0.399 nan 8.190 nan 0.000 0.468 202 M N 8.773 127.982 119.600 -0.653 0.000 3.179 202 M HA 0.383 4.854 4.480 -0.014 0.000 0.267 202 M C -0.710 175.634 176.300 0.073 0.000 1.212 202 M CA 0.245 55.458 55.300 -0.145 0.000 1.105 202 M CB -0.986 31.663 32.600 0.081 0.000 1.211 202 M HN 0.779 nan 8.290 nan 0.000 0.541 203 F N -2.316 117.640 119.950 0.010 0.000 3.015 203 F HA 0.604 5.122 4.527 -0.014 0.000 0.415 203 F C 0.183 175.987 175.800 0.007 0.000 1.185 203 F CA -0.432 57.572 58.000 0.007 0.000 1.188 203 F CB -0.180 38.823 39.000 0.005 0.000 2.558 203 F HN 0.266 nan 8.300 nan 0.000 0.587 204 G N 1.481 110.304 108.800 0.037 0.000 3.736 204 G HA2 0.193 4.145 3.960 -0.014 0.000 0.196 204 G HA3 0.193 4.145 3.960 -0.014 0.000 0.196 204 G C -0.658 174.237 174.900 -0.009 0.000 1.811 204 G CA 0.122 45.238 45.100 0.027 0.000 1.175 204 G HN 1.281 nan 8.290 nan 0.000 0.429 205 N N -0.218 118.452 118.700 -0.052 0.000 4.851 205 N HA 0.238 4.970 4.740 -0.014 0.000 0.190 205 N C -3.331 172.131 175.510 -0.080 0.000 1.101 205 N CA -0.268 52.755 53.050 -0.045 0.000 0.958 205 N CB 1.066 39.550 38.487 -0.005 0.000 1.570 205 N HN 0.160 nan 8.380 nan 0.000 0.601 206 P HA 0.247 nan 4.420 nan 0.000 0.253 206 P C -0.725 176.546 177.300 -0.049 0.000 1.459 206 P CA 0.386 63.436 63.100 -0.082 0.000 0.908 206 P CB 0.046 31.706 31.700 -0.068 0.000 1.470 207 E N -0.114 120.064 120.200 -0.037 0.000 2.191 207 E HA 0.418 4.760 4.350 -0.014 0.000 0.278 207 E C -0.020 176.536 176.600 -0.073 0.000 0.972 207 E CA -0.299 56.083 56.400 -0.030 0.000 0.804 207 E CB 1.473 31.177 29.700 0.006 0.000 1.110 207 E HN 0.057 nan 8.360 nan 0.000 0.394 208 T N 0.121 114.621 114.554 -0.091 0.000 2.604 208 T HA 0.501 4.842 4.350 -0.014 0.000 0.267 208 T C -0.344 174.239 174.700 -0.194 0.000 0.923 208 T CA -0.720 61.295 62.100 -0.142 0.000 1.077 208 T CB 1.644 70.452 68.868 -0.100 0.000 1.392 208 T HN 0.271 nan 8.240 nan 0.000 0.531 209 T N 1.824 116.260 114.554 -0.197 0.000 2.916 209 T HA 0.562 4.903 4.350 -0.014 0.000 0.298 209 T C -0.557 174.057 174.700 -0.143 0.000 1.031 209 T CA -0.566 61.403 62.100 -0.219 0.000 0.993 209 T CB 1.350 70.034 68.868 -0.308 0.000 1.045 209 T HN 0.749 nan 8.240 nan 0.000 0.454 210 T N 1.282 115.758 114.554 -0.130 0.000 2.900 210 T HA 0.474 4.816 4.350 -0.014 0.000 0.307 210 T C 1.312 175.961 174.700 -0.085 0.000 1.065 210 T CA 0.366 62.410 62.100 -0.094 0.000 1.105 210 T CB 0.543 69.360 68.868 -0.086 0.000 0.979 210 T HN 1.180 nan 8.240 nan 0.000 0.544 211 G N 0.531 109.293 108.800 -0.063 0.000 2.171 211 G HA2 0.248 4.199 3.960 -0.014 0.000 0.238 211 G HA3 0.248 4.199 3.960 -0.014 0.000 0.238 211 G C 0.718 175.581 174.900 -0.062 0.000 1.039 211 G CA 0.094 45.154 45.100 -0.067 0.000 0.759 211 G HN 1.823 nan 8.290 nan 0.000 0.501 212 G N -0.118 108.658 108.800 -0.040 0.000 2.601 212 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.261 212 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.261 212 G C 0.696 175.598 174.900 0.004 0.000 1.289 212 G CA 0.547 45.639 45.100 -0.013 0.000 0.920 212 G HN 0.963 nan 8.290 nan 0.000 0.571 213 N N 0.649 119.385 118.700 0.060 0.000 2.325 213 N HA 0.209 4.940 4.740 -0.014 0.000 0.182 213 N C 2.433 178.093 175.510 0.250 0.000 1.088 213 N CA 1.252 54.389 53.050 0.145 0.000 0.879 213 N CB 0.018 38.642 38.487 0.230 0.000 0.983 213 N HN 0.835 nan 8.380 nan 0.000 0.471 214 A N 1.606 124.523 122.820 0.161 0.000 1.873 214 A HA -0.169 4.143 4.320 -0.014 0.000 0.218 214 A C 2.167 179.907 177.584 0.260 0.000 1.193 214 A CA 1.241 53.398 52.037 0.201 0.000 0.629 214 A CB -0.785 18.230 19.000 0.027 0.000 0.826 214 A HN 0.217 nan 8.150 nan 0.000 0.447 215 L N -0.151 121.108 121.223 0.060 0.000 2.083 215 L HA -0.138 4.193 4.340 -0.014 0.000 0.209 215 L C 2.232 179.154 176.870 0.086 0.000 1.083 215 L CA 2.146 56.990 54.840 0.007 0.000 0.752 215 L CB -0.573 41.379 42.059 -0.178 0.000 0.899 215 L HN 0.374 nan 8.230 nan 0.000 0.433 216 K N -1.089 119.338 120.400 0.045 0.000 2.059 216 K HA -0.248 4.063 4.320 -0.014 0.000 0.212 216 K C 2.059 178.607 176.600 -0.087 0.000 1.050 216 K CA 2.203 58.449 56.287 -0.069 0.000 0.927 216 K CB -0.494 31.882 32.500 -0.207 0.000 0.714 216 K HN 0.276 nan 8.250 nan 0.000 0.447 217 F N -0.705 119.275 119.950 0.050 0.000 2.128 217 F HA -0.121 4.398 4.527 -0.014 0.000 0.295 217 F C 2.141 177.912 175.800 -0.049 0.000 1.100 217 F CA 1.130 59.117 58.000 -0.021 0.000 1.260 217 F CB -0.383 38.573 39.000 -0.073 0.000 1.009 217 F HN 0.004 nan 8.300 nan 0.000 0.476 218 Y N 0.039 120.444 120.300 0.175 0.000 2.395 218 Y HA 0.199 4.741 4.550 -0.014 0.000 0.293 218 Y C 1.618 177.563 175.900 0.074 0.000 1.123 218 Y CA -0.017 58.146 58.100 0.105 0.000 1.227 218 Y CB -0.680 37.824 38.460 0.074 0.000 1.012 218 Y HN -0.113 nan 8.280 nan 0.000 0.552 219 A N -0.094 122.846 122.820 0.201 0.000 2.511 219 A HA 0.137 4.449 4.320 -0.014 0.000 0.242 219 A C 1.216 178.848 177.584 0.080 0.000 1.069 219 A CA 0.436 52.553 52.037 0.134 0.000 0.763 219 A CB 0.166 19.229 19.000 0.104 0.000 1.001 219 A HN 0.345 nan 8.150 nan 0.000 0.498 220 S N 0.628 116.372 115.700 0.072 0.000 2.458 220 S HA 0.164 4.625 4.470 -0.014 0.000 0.223 220 S C 0.399 175.006 174.600 0.012 0.000 1.019 220 S CA 0.491 58.713 58.200 0.037 0.000 0.937 220 S CB 0.115 63.339 63.200 0.041 0.000 0.788 220 S HN 0.559 nan 8.310 nan 0.000 0.511 221 V N 2.325 122.252 119.914 0.023 0.000 2.709 221 V HA 0.495 4.607 4.120 -0.014 0.000 0.308 221 V C -0.748 175.357 176.094 0.019 0.000 1.062 221 V CA -0.830 61.471 62.300 0.001 0.000 0.901 221 V CB 2.076 33.900 31.823 0.002 0.000 1.003 221 V HN 0.129 nan 8.190 nan 0.000 0.425 222 R N 3.917 124.415 120.500 -0.003 0.000 2.476 222 R HA 0.627 4.959 4.340 -0.014 0.000 0.305 222 R C -1.868 174.416 176.300 -0.027 0.000 0.965 222 R CA -0.834 55.288 56.100 0.037 0.000 0.867 222 R CB 2.188 32.541 30.300 0.088 0.000 1.176 222 R HN 0.369 nan 8.270 nan 0.000 0.447 223 L N 2.158 123.335 121.223 -0.076 0.000 2.329 223 L HA 0.348 4.679 4.340 -0.014 0.000 0.279 223 L C -0.114 176.464 176.870 -0.487 0.000 1.014 223 L CA -0.392 54.341 54.840 -0.178 0.000 0.814 223 L CB 1.447 43.453 42.059 -0.087 0.000 1.257 223 L HN 0.449 nan 8.230 nan 0.000 0.424 224 D N 3.865 123.995 120.400 -0.450 0.000 2.461 224 D HA 0.277 4.908 4.640 -0.014 0.000 0.240 224 D C -0.840 175.303 176.300 -0.262 0.000 1.094 224 D CA -0.241 53.398 54.000 -0.603 0.000 0.868 224 D CB 0.953 41.512 40.800 -0.401 0.000 1.062 224 D HN 0.447 nan 8.370 nan 0.000 0.530 225 I N 3.084 123.532 120.570 -0.204 0.000 2.392 225 I HA 0.512 4.674 4.170 -0.014 0.000 0.295 225 I C -0.826 175.263 176.117 -0.045 0.000 0.985 225 I CA -0.621 60.627 61.300 -0.086 0.000 1.221 225 I CB 0.651 38.641 38.000 -0.017 0.000 1.366 225 I HN 0.228 nan 8.210 nan 0.000 0.467 226 R N 5.651 126.117 120.500 -0.057 0.000 2.584 226 R HA 0.360 4.691 4.340 -0.014 0.000 0.276 226 R C -1.060 175.209 176.300 -0.051 0.000 1.046 226 R CA -0.862 55.219 56.100 -0.031 0.000 0.906 226 R CB 1.934 32.218 30.300 -0.028 0.000 1.215 226 R HN 0.571 nan 8.270 nan 0.000 0.449 227 R N 4.213 124.707 120.500 -0.010 0.000 2.316 227 R HA 0.137 4.469 4.340 -0.014 0.000 0.314 227 R C 0.678 176.963 176.300 -0.025 0.000 1.069 227 R CA 0.171 56.268 56.100 -0.006 0.000 0.959 227 R CB 0.388 30.725 30.300 0.062 0.000 0.987 227 R HN 0.777 nan 8.270 nan 0.000 0.446 228 I N 0.715 121.251 120.570 -0.058 0.000 4.035 228 I HA 0.466 4.627 4.170 -0.014 0.000 0.321 228 I C 0.589 176.672 176.117 -0.058 0.000 1.289 228 I CA -0.138 61.126 61.300 -0.061 0.000 1.236 228 I CB 0.885 38.836 38.000 -0.082 0.000 1.076 228 I HN 0.592 nan 8.210 nan 0.000 0.418 229 G N 0.930 109.692 108.800 -0.062 0.000 2.550 229 G HA2 0.693 4.644 3.960 -0.014 0.000 0.293 229 G HA3 0.693 4.644 3.960 -0.014 0.000 0.293 229 G C -1.945 172.902 174.900 -0.088 0.000 1.402 229 G CA -0.263 44.794 45.100 -0.073 0.000 0.784 229 G HN 0.288 nan 8.290 nan 0.000 0.482 230 A N -0.463 122.289 122.820 -0.112 0.000 2.305 230 A HA 0.686 4.997 4.320 -0.014 0.000 0.322 230 A C -0.173 177.354 177.584 -0.095 0.000 1.187 230 A CA -0.516 51.443 52.037 -0.131 0.000 0.825 230 A CB 1.451 20.328 19.000 -0.205 0.000 1.164 230 A HN 1.303 nan 8.150 nan 0.000 0.498 231 V N 4.349 124.204 119.914 -0.098 0.000 2.356 231 V HA 0.140 4.252 4.120 -0.014 0.000 0.258 231 V C 0.501 176.561 176.094 -0.055 0.000 1.065 231 V CA -0.086 62.164 62.300 -0.083 0.000 0.935 231 V CB -0.250 31.505 31.823 -0.113 0.000 1.061 231 V HN 0.826 nan 8.190 nan 0.000 0.484 232 K N 3.030 123.406 120.400 -0.041 0.000 2.090 232 K HA 0.495 4.807 4.320 -0.014 0.000 0.249 232 K C 0.059 176.653 176.600 -0.009 0.000 0.995 232 K CA -0.622 55.652 56.287 -0.022 0.000 0.914 232 K CB 1.308 33.791 32.500 -0.027 0.000 1.057 232 K HN 0.458 nan 8.250 nan 0.000 0.462 233 E N 0.707 120.909 120.200 0.003 0.000 4.170 233 E HA 0.135 4.477 4.350 -0.014 0.000 0.215 233 E C 0.377 176.982 176.600 0.009 0.000 1.119 233 E CA -0.006 56.398 56.400 0.008 0.000 1.396 233 E CB 0.749 30.461 29.700 0.021 0.000 1.182 233 E HN 1.019 nan 8.360 nan 0.000 0.438 234 G N 1.969 110.770 108.800 0.002 0.000 5.431 234 G HA2 -0.397 3.555 3.960 -0.014 0.000 0.322 234 G HA3 -0.397 3.555 3.960 -0.014 0.000 0.322 234 G C 1.059 175.961 174.900 0.004 0.000 1.370 234 G CA 0.713 45.814 45.100 0.002 0.000 0.963 234 G HN 0.395 nan 8.290 nan 0.000 0.797 235 E N 1.526 121.733 120.200 0.011 0.000 2.162 235 E HA 0.084 4.425 4.350 -0.014 0.000 0.193 235 E C 1.032 177.648 176.600 0.026 0.000 0.953 235 E CA 0.291 56.701 56.400 0.016 0.000 0.849 235 E CB -0.122 29.589 29.700 0.018 0.000 0.810 235 E HN 0.637 nan 8.360 nan 0.000 0.470 236 N N 0.471 119.193 118.700 0.035 0.000 2.525 236 N HA 0.109 4.840 4.740 -0.014 0.000 0.271 236 N C -0.791 174.758 175.510 0.065 0.000 1.194 236 N CA -0.083 53.002 53.050 0.059 0.000 0.964 236 N CB 1.619 40.145 38.487 0.065 0.000 1.126 236 N HN -0.213 nan 8.380 nan 0.000 0.452 237 V N 2.349 122.331 119.914 0.113 0.000 2.318 237 V HA 0.120 4.231 4.120 -0.014 0.000 0.271 237 V C 0.562 176.803 176.094 0.245 0.000 1.030 237 V CA -0.319 62.067 62.300 0.142 0.000 0.844 237 V CB 1.187 33.109 31.823 0.165 0.000 1.015 237 V HN 0.548 nan 8.190 nan 0.000 0.460 238 V N 4.370 124.354 119.914 0.118 0.000 3.643 238 V HA 0.640 4.752 4.120 -0.014 0.000 0.280 238 V C 0.828 176.773 176.094 -0.247 0.000 1.351 238 V CA 1.259 63.615 62.300 0.094 0.000 1.073 238 V CB 0.261 32.114 31.823 0.050 0.000 0.863 238 V HN 0.910 nan 8.190 nan 0.000 0.436 239 G N -1.158 107.331 108.800 -0.518 0.000 2.559 239 G HA2 0.472 4.423 3.960 -0.014 0.000 0.291 239 G HA3 0.472 4.423 3.960 -0.014 0.000 0.291 239 G C -1.477 173.081 174.900 -0.570 0.000 1.424 239 G CA -0.272 44.225 45.100 -1.006 0.000 0.786 239 G HN -0.016 nan 8.290 nan 0.000 0.485 240 S N -0.104 115.365 115.700 -0.384 0.000 2.456 240 S HA 0.482 4.944 4.470 -0.014 0.000 0.316 240 S C -0.286 174.271 174.600 -0.073 0.000 1.089 240 S CA -0.411 57.752 58.200 -0.061 0.000 1.101 240 S CB 1.590 64.871 63.200 0.134 0.000 0.995 240 S HN 0.581 nan 8.310 nan 0.000 0.468 241 E N 2.166 122.318 120.200 -0.079 0.000 2.376 241 E HA 0.275 4.617 4.350 -0.014 0.000 0.266 241 E C -0.559 175.951 176.600 -0.150 0.000 1.009 241 E CA 0.513 56.852 56.400 -0.102 0.000 0.902 241 E CB 0.534 30.181 29.700 -0.089 0.000 0.972 241 E HN 0.448 nan 8.360 nan 0.000 0.439 242 T N 5.002 119.385 114.554 -0.285 0.000 2.893 242 T HA 0.497 4.838 4.350 -0.014 0.000 0.293 242 T C -0.878 173.485 174.700 -0.563 0.000 1.027 242 T CA -0.794 61.038 62.100 -0.445 0.000 0.988 242 T CB 1.267 69.764 68.868 -0.618 0.000 1.043 242 T HN 0.374 nan 8.240 nan 0.000 0.461 243 R N 2.242 122.512 120.500 -0.384 0.000 2.532 243 R HA 0.688 5.020 4.340 -0.014 0.000 0.297 243 R C -1.936 174.242 176.300 -0.204 0.000 0.984 243 R CA -0.503 55.427 56.100 -0.284 0.000 0.884 243 R CB 1.342 31.546 30.300 -0.161 0.000 1.182 243 R HN 0.465 nan 8.270 nan 0.000 0.442 244 V N 4.527 124.354 119.914 -0.145 0.000 2.459 244 V HA 0.425 4.537 4.120 -0.014 0.000 0.295 244 V C -0.225 175.849 176.094 -0.034 0.000 1.029 244 V CA -0.791 61.474 62.300 -0.059 0.000 0.874 244 V CB 1.892 33.742 31.823 0.044 0.000 0.985 244 V HN 0.668 nan 8.190 nan 0.000 0.438 245 K N 2.824 123.196 120.400 -0.047 0.000 2.206 245 K HA 0.574 4.886 4.320 -0.014 0.000 0.264 245 K C -1.004 175.573 176.600 -0.039 0.000 0.967 245 K CA -0.680 55.599 56.287 -0.014 0.000 0.844 245 K CB 2.197 34.708 32.500 0.017 0.000 1.099 245 K HN 0.459 nan 8.250 nan 0.000 0.441 246 V N 4.635 124.529 119.914 -0.033 0.000 2.415 246 V HA -0.009 4.103 4.120 -0.014 0.000 0.267 246 V C 1.035 177.014 176.094 -0.191 0.000 1.042 246 V CA 0.060 62.303 62.300 -0.095 0.000 1.000 246 V CB 0.918 32.685 31.823 -0.092 0.000 1.015 246 V HN 0.648 nan 8.190 nan 0.000 0.478 247 V N 3.970 123.778 119.914 -0.176 0.000 2.949 247 V HA 0.176 4.287 4.120 -0.014 0.000 0.245 247 V C 0.824 176.705 176.094 -0.355 0.000 1.086 247 V CA 0.855 63.040 62.300 -0.192 0.000 1.097 247 V CB 0.036 31.889 31.823 0.050 0.000 0.762 247 V HN 0.768 nan 8.190 nan 0.000 0.470 248 K N 1.104 121.363 120.400 -0.235 0.000 2.371 248 K HA 0.428 4.739 4.320 -0.014 0.000 0.251 248 K C -1.491 174.997 176.600 -0.187 0.000 0.934 248 K CA -0.567 55.585 56.287 -0.226 0.000 0.798 248 K CB 1.702 34.135 32.500 -0.112 0.000 1.204 248 K HN 0.117 nan 8.250 nan 0.000 0.427 249 N N 3.033 121.625 118.700 -0.180 0.000 2.549 249 N HA 0.190 4.922 4.740 -0.014 0.000 0.290 249 N C -0.822 174.647 175.510 -0.068 0.000 1.122 249 N CA -0.303 52.679 53.050 -0.113 0.000 0.885 249 N CB 1.546 39.958 38.487 -0.125 0.000 1.455 249 N HN 0.599 nan 8.380 nan 0.000 0.521 250 K N 2.221 122.598 120.400 -0.038 0.000 2.374 250 K HA 0.250 4.561 4.320 -0.014 0.000 0.196 250 K C 0.768 177.363 176.600 -0.009 0.000 1.023 250 K CA 0.148 56.424 56.287 -0.018 0.000 1.103 250 K CB 0.595 33.091 32.500 -0.006 0.000 0.848 250 K HN 0.380 nan 8.250 nan 0.000 0.528 251 I N -0.284 120.278 120.570 -0.013 0.000 3.883 251 I HA 0.154 4.316 4.170 -0.014 0.000 0.305 251 I C 0.237 176.351 176.117 -0.005 0.000 1.247 251 I CA 0.035 61.332 61.300 -0.005 0.000 1.350 251 I CB 0.961 38.959 38.000 -0.002 0.000 1.194 251 I HN -0.054 nan 8.210 nan 0.000 0.441 252 A N -0.421 122.392 122.820 -0.012 0.000 2.534 252 A HA 0.853 5.165 4.320 -0.014 0.000 0.300 252 A C -0.859 176.719 177.584 -0.011 0.000 1.223 252 A CA -0.179 51.855 52.037 -0.006 0.000 0.666 252 A CB -0.094 18.904 19.000 -0.003 0.000 1.316 252 A HN 0.062 nan 8.150 nan 0.000 0.468 253 A N 1.347 124.169 122.820 0.003 0.000 2.520 253 A HA 0.556 4.868 4.320 -0.014 0.000 0.245 253 A C -2.032 175.545 177.584 -0.013 0.000 1.072 253 A CA -0.517 51.529 52.037 0.014 0.000 0.761 253 A CB -0.774 18.249 19.000 0.038 0.000 1.004 253 A HN 0.515 nan 8.150 nan 0.000 0.499 254 P HA 0.523 nan 4.420 nan 0.000 0.282 254 P C -0.119 177.140 177.300 -0.070 0.000 1.287 254 P CA -0.329 62.634 63.100 -0.228 0.000 0.792 254 P CB 0.171 31.534 31.700 -0.561 0.000 1.163 255 F N -4.608 115.346 119.950 0.007 0.000 2.794 255 F HA -0.204 4.315 4.527 -0.014 0.000 0.335 255 F C 0.667 176.468 175.800 0.002 0.000 0.653 255 F CA 0.765 58.767 58.000 0.004 0.000 1.266 255 F CB -2.399 36.603 39.000 0.004 0.000 1.666 255 F HN 0.227 nan 8.300 nan 0.000 0.314 256 K N 1.278 121.745 120.400 0.112 0.000 2.202 256 K HA 0.447 4.758 4.320 -0.014 0.000 0.264 256 K C 0.443 177.077 176.600 0.056 0.000 1.010 256 K CA -0.239 56.092 56.287 0.074 0.000 0.940 256 K CB 0.722 33.248 32.500 0.044 0.000 0.983 256 K HN 0.419 nan 8.250 nan 0.000 0.475 257 Q N 0.166 119.993 119.800 0.045 0.000 2.397 257 Q HA 0.730 5.061 4.340 -0.014 0.000 0.275 257 Q C -1.709 174.308 176.000 0.028 0.000 1.090 257 Q CA -1.251 54.571 55.803 0.030 0.000 0.809 257 Q CB 2.158 30.910 28.738 0.022 0.000 1.362 257 Q HN 0.523 nan 8.270 nan 0.000 0.431 258 A N 1.887 124.728 122.820 0.034 0.000 2.371 258 A HA 0.639 4.951 4.320 -0.014 0.000 0.311 258 A C -1.120 176.472 177.584 0.013 0.000 1.068 258 A CA -0.671 51.406 52.037 0.067 0.000 0.744 258 A CB 1.572 20.660 19.000 0.147 0.000 1.239 258 A HN 0.794 nan 8.150 nan 0.000 0.435 259 E N 0.252 120.456 120.200 0.006 0.000 2.244 259 E HA 0.776 5.117 4.350 -0.014 0.000 0.266 259 E C -1.090 175.514 176.600 0.007 0.000 0.914 259 E CA -0.397 55.927 56.400 -0.127 0.000 0.794 259 E CB 2.095 31.739 29.700 -0.094 0.000 1.210 259 E HN 0.665 nan 8.360 nan 0.000 0.414 260 F N -1.926 118.005 119.950 -0.032 0.000 3.194 260 F HA 0.344 4.862 4.527 -0.014 0.000 0.327 260 F C -1.712 174.067 175.800 -0.034 0.000 1.141 260 F CA -1.187 56.789 58.000 -0.039 0.000 0.862 260 F CB 0.864 39.836 39.000 -0.045 0.000 1.447 260 F HN 0.178 nan 8.300 nan 0.000 0.479 261 Q N 1.286 121.290 119.800 0.340 0.000 2.316 261 Q HA 0.668 4.999 4.340 -0.014 0.000 0.264 261 Q C -1.286 174.869 176.000 0.258 0.000 0.987 261 Q CA -0.751 55.156 55.803 0.174 0.000 0.852 261 Q CB 2.996 31.774 28.738 0.066 0.000 1.287 261 Q HN 0.568 nan 8.270 nan 0.000 0.448 262 I N 3.846 124.510 120.570 0.157 0.000 2.307 262 I HA 0.221 4.382 4.170 -0.014 0.000 0.289 262 I C -0.505 175.575 176.117 -0.062 0.000 1.021 262 I CA -0.452 60.924 61.300 0.126 0.000 1.224 262 I CB 0.623 38.741 38.000 0.197 0.000 1.376 262 I HN 0.367 nan 8.210 nan 0.000 0.470 263 L N 7.133 128.341 121.223 -0.025 0.000 2.278 263 L HA 0.287 4.619 4.340 -0.014 0.000 0.287 263 L C -0.548 176.352 176.870 0.049 0.000 1.072 263 L CA -0.798 53.993 54.840 -0.082 0.000 0.819 263 L CB -0.052 42.002 42.059 -0.009 0.000 1.176 263 L HN 0.394 nan 8.230 nan 0.000 0.435 264 Y N 2.321 122.716 120.300 0.158 0.000 2.721 264 Y HA 0.189 4.730 4.550 -0.014 0.000 0.329 264 Y C 1.484 177.522 175.900 0.229 0.000 1.211 264 Y CA 0.571 58.797 58.100 0.210 0.000 1.512 264 Y CB -0.062 38.488 38.460 0.150 0.000 1.249 264 Y HN 0.863 nan 8.280 nan 0.000 0.549 265 G N 2.005 111.140 108.800 0.558 0.000 2.176 265 G HA2 -0.336 3.615 3.960 -0.014 0.000 0.253 265 G HA3 -0.336 3.615 3.960 -0.014 0.000 0.253 265 G C 0.829 175.773 174.900 0.074 0.000 0.979 265 G CA 0.621 45.922 45.100 0.337 0.000 0.641 265 G HN 0.635 nan 8.290 nan 0.000 0.530 266 E N -1.332 118.904 120.200 0.061 0.000 2.444 266 E HA 0.473 4.814 4.350 -0.014 0.000 0.203 266 E C 1.348 177.920 176.600 -0.047 0.000 0.847 266 E CA 1.283 57.679 56.400 -0.006 0.000 1.142 266 E CB 0.703 30.421 29.700 0.030 0.000 1.125 266 E HN 1.634 nan 8.360 nan 0.000 0.521 267 G N 0.646 109.450 108.800 0.007 0.000 2.306 267 G HA2 -0.112 3.840 3.960 -0.014 0.000 0.262 267 G HA3 -0.112 3.840 3.960 -0.014 0.000 0.262 267 G C -0.900 174.018 174.900 0.030 0.000 1.263 267 G CA -0.465 44.636 45.100 0.002 0.000 1.088 267 G HN 0.136 nan 8.290 nan 0.000 0.489 268 I N 1.771 122.335 120.570 -0.011 0.000 2.581 268 I HA 0.034 4.195 4.170 -0.014 0.000 0.285 268 I C 0.784 176.890 176.117 -0.018 0.000 1.129 268 I CA -0.212 61.057 61.300 -0.052 0.000 1.397 268 I CB 0.532 38.374 38.000 -0.263 0.000 1.399 268 I HN 0.444 nan 8.210 nan 0.000 0.537 269 N N 6.683 125.403 118.700 0.033 0.000 2.484 269 N HA -0.121 4.610 4.740 -0.014 0.000 0.295 269 N C 0.627 176.146 175.510 0.016 0.000 1.240 269 N CA 0.432 53.508 53.050 0.044 0.000 1.085 269 N CB -0.148 38.372 38.487 0.055 0.000 1.465 269 N HN 0.507 nan 8.380 nan 0.000 0.496 270 F N 3.079 122.914 119.950 -0.192 0.000 2.113 270 F HA -0.169 4.349 4.527 -0.014 0.000 0.297 270 F C 0.994 176.656 175.800 -0.229 0.000 1.103 270 F CA 1.426 59.252 58.000 -0.290 0.000 1.248 270 F CB -0.099 38.617 39.000 -0.474 0.000 0.999 270 F HN 0.403 nan 8.300 nan 0.000 0.475 271 Y N 0.535 120.958 120.300 0.205 0.000 2.293 271 Y HA -0.010 4.532 4.550 -0.014 0.000 0.291 271 Y C 2.652 178.540 175.900 -0.020 0.000 1.137 271 Y CA 0.837 58.996 58.100 0.098 0.000 1.202 271 Y CB -1.442 37.077 38.460 0.097 0.000 0.990 271 Y HN 0.132 nan 8.280 nan 0.000 0.537 272 G N 0.087 108.953 108.800 0.110 0.000 2.514 272 G HA2 -0.294 3.657 3.960 -0.014 0.000 0.217 272 G HA3 -0.294 3.657 3.960 -0.014 0.000 0.217 272 G C 1.523 176.409 174.900 -0.023 0.000 1.198 272 G CA 1.265 46.382 45.100 0.029 0.000 0.780 272 G HN 0.422 nan 8.290 nan 0.000 0.565 273 E N -0.248 119.901 120.200 -0.086 0.000 2.070 273 E HA -0.172 4.170 4.350 -0.014 0.000 0.197 273 E C 2.419 178.928 176.600 -0.152 0.000 1.004 273 E CA 1.042 57.357 56.400 -0.141 0.000 0.805 273 E CB -0.260 29.270 29.700 -0.284 0.000 0.744 273 E HN 0.311 nan 8.360 nan 0.000 0.451 274 L N 0.754 121.859 121.223 -0.198 0.000 2.042 274 L HA -0.173 4.159 4.340 -0.014 0.000 0.210 274 L C 2.236 179.096 176.870 -0.017 0.000 1.076 274 L CA 1.376 56.146 54.840 -0.117 0.000 0.749 274 L CB -0.401 41.645 42.059 -0.022 0.000 0.893 274 L HN -0.031 nan 8.230 nan 0.000 0.432 275 V N -0.184 119.733 119.914 0.005 0.000 2.255 275 V HA -0.325 3.786 4.120 -0.014 0.000 0.247 275 V C 2.331 178.450 176.094 0.042 0.000 1.051 275 V CA 2.102 64.406 62.300 0.007 0.000 1.018 275 V CB -0.770 31.006 31.823 -0.078 0.000 0.641 275 V HN 0.435 nan 8.190 nan 0.000 0.445 276 D N -0.168 120.247 120.400 0.024 0.000 2.097 276 D HA -0.122 4.510 4.640 -0.014 0.000 0.195 276 D C 2.159 178.482 176.300 0.038 0.000 0.989 276 D CA 0.990 55.017 54.000 0.046 0.000 0.827 276 D CB -0.314 40.502 40.800 0.026 0.000 0.966 276 D HN 0.164 nan 8.370 nan 0.000 0.456 277 L N 0.644 121.870 121.223 0.005 0.000 2.042 277 L HA -0.089 4.242 4.340 -0.014 0.000 0.210 277 L C 2.471 179.357 176.870 0.027 0.000 1.076 277 L CA 1.711 56.552 54.840 0.001 0.000 0.749 277 L CB -1.559 40.477 42.059 -0.038 0.000 0.893 277 L HN 0.097 nan 8.230 nan 0.000 0.432 278 G N -0.873 107.950 108.800 0.039 0.000 2.418 278 G HA2 -0.164 3.787 3.960 -0.014 0.000 0.217 278 G HA3 -0.164 3.787 3.960 -0.014 0.000 0.217 278 G C 1.726 176.683 174.900 0.095 0.000 1.158 278 G CA 0.889 46.031 45.100 0.068 0.000 0.771 278 G HN 0.265 nan 8.290 nan 0.000 0.545 279 V N 0.646 120.626 119.914 0.110 0.000 2.427 279 V HA -0.113 3.999 4.120 -0.014 0.000 0.248 279 V C 2.665 178.802 176.094 0.072 0.000 1.051 279 V CA 2.016 64.384 62.300 0.114 0.000 1.048 279 V CB -0.330 31.587 31.823 0.157 0.000 0.666 279 V HN 0.340 nan 8.190 nan 0.000 0.456 280 K N -0.137 120.298 120.400 0.060 0.000 2.097 280 K HA -0.158 4.153 4.320 -0.014 0.000 0.205 280 K C 1.825 178.447 176.600 0.038 0.000 1.050 280 K CA 1.167 57.478 56.287 0.041 0.000 0.938 280 K CB 0.029 32.549 32.500 0.033 0.000 0.718 280 K HN 0.363 nan 8.250 nan 0.000 0.442 281 E N 0.624 120.851 120.200 0.045 0.000 2.489 281 E HA -0.021 4.321 4.350 -0.014 0.000 0.193 281 E C -0.085 176.546 176.600 0.051 0.000 1.057 281 E CA 0.166 56.592 56.400 0.044 0.000 0.866 281 E CB 0.467 30.194 29.700 0.045 0.000 0.916 281 E HN 0.152 nan 8.360 nan 0.000 0.500 282 K N -0.401 120.033 120.400 0.056 0.000 3.281 282 K HA -0.192 4.119 4.320 -0.014 0.000 0.295 282 K C 1.004 177.652 176.600 0.080 0.000 1.233 282 K CA 0.440 56.760 56.287 0.056 0.000 0.866 282 K CB -2.100 30.421 32.500 0.036 0.000 1.265 282 K HN 0.256 nan 8.250 nan 0.000 0.482 283 L N -0.341 120.950 121.223 0.113 0.000 2.307 283 L HA 0.174 4.505 4.340 -0.014 0.000 0.211 283 L C 1.180 178.211 176.870 0.268 0.000 1.099 283 L CA 0.663 55.612 54.840 0.182 0.000 0.816 283 L CB 0.086 42.258 42.059 0.188 0.000 0.952 283 L HN 0.106 nan 8.230 nan 0.000 0.455 284 I N -0.332 120.363 120.570 0.209 0.000 2.404 284 I HA 0.202 4.364 4.170 -0.014 0.000 0.293 284 I C -0.250 175.954 176.117 0.145 0.000 0.992 284 I CA -0.608 60.831 61.300 0.232 0.000 1.149 284 I CB 2.143 40.283 38.000 0.232 0.000 1.315 284 I HN -0.125 nan 8.210 nan 0.000 0.446 285 E N 5.517 125.784 120.200 0.111 0.000 2.259 285 E HA 0.227 4.568 4.350 -0.014 0.000 0.281 285 E C -0.712 175.870 176.600 -0.031 0.000 1.027 285 E CA -0.281 56.138 56.400 0.032 0.000 0.838 285 E CB 0.971 30.678 29.700 0.012 0.000 1.066 285 E HN 0.276 nan 8.360 nan 0.000 0.401 286 K N 2.722 123.056 120.400 -0.109 0.000 2.464 286 K HA 0.492 4.804 4.320 -0.014 0.000 0.252 286 K C -1.360 175.138 176.600 -0.170 0.000 1.000 286 K CA -0.599 55.516 56.287 -0.287 0.000 0.951 286 K CB 0.934 33.196 32.500 -0.396 0.000 1.183 286 K HN 0.515 nan 8.250 nan 0.000 0.445 287 A N 3.735 126.491 122.820 -0.106 0.000 3.016 287 A HA 0.502 4.813 4.320 -0.014 0.000 0.303 287 A C 0.923 178.513 177.584 0.011 0.000 1.507 287 A CA 0.369 52.389 52.037 -0.028 0.000 1.196 287 A CB -0.470 18.531 19.000 0.001 0.000 1.169 287 A HN 1.057 nan 8.150 nan 0.000 0.544 288 G N 1.440 110.215 108.800 -0.041 0.000 2.889 288 G HA2 -0.141 3.810 3.960 -0.014 0.000 0.308 288 G HA3 -0.141 3.810 3.960 -0.014 0.000 0.308 288 G C 1.338 176.199 174.900 -0.066 0.000 1.248 288 G CA 0.804 45.891 45.100 -0.022 0.000 0.982 288 G HN 1.893 nan 8.290 nan 0.000 0.571 289 A N -0.786 122.027 122.820 -0.012 0.000 2.348 289 A HA 0.542 4.854 4.320 -0.014 0.000 0.224 289 A C 0.465 177.956 177.584 -0.155 0.000 1.227 289 A CA 0.471 52.459 52.037 -0.082 0.000 0.885 289 A CB 0.061 19.002 19.000 -0.098 0.000 0.933 289 A HN 0.545 nan 8.150 nan 0.000 0.506 290 W N -0.724 120.511 121.300 -0.108 0.000 2.390 290 W HA 0.577 5.228 4.660 -0.014 0.000 0.312 290 W C -0.858 175.552 176.519 -0.182 0.000 1.123 290 W CA -0.087 57.222 57.345 -0.058 0.000 1.202 290 W CB 0.588 30.016 29.460 -0.053 0.000 1.251 290 W HN 0.185 nan 8.180 nan 0.000 0.511 291 Y N 2.337 122.743 120.300 0.177 0.000 2.328 291 Y HA 0.462 5.004 4.550 -0.014 0.000 0.337 291 Y C 0.293 176.232 175.900 0.064 0.000 0.966 291 Y CA -0.587 57.562 58.100 0.081 0.000 1.136 291 Y CB 1.536 40.000 38.460 0.007 0.000 1.170 291 Y HN 0.140 nan 8.280 nan 0.000 0.470 292 S N 2.989 118.780 115.700 0.150 0.000 2.500 292 S HA 0.411 4.872 4.470 -0.014 0.000 0.301 292 S C -1.839 172.827 174.600 0.111 0.000 1.092 292 S CA -0.759 57.483 58.200 0.069 0.000 1.030 292 S CB 1.134 64.345 63.200 0.019 0.000 1.031 292 S HN 0.497 nan 8.310 nan 0.000 0.483 293 Y N 2.839 123.082 120.300 -0.095 0.000 2.326 293 Y HA 0.373 4.914 4.550 -0.014 0.000 0.331 293 Y C 0.187 176.070 175.900 -0.028 0.000 0.962 293 Y CA -0.988 57.084 58.100 -0.046 0.000 1.167 293 Y CB 0.526 38.959 38.460 -0.044 0.000 1.148 293 Y HN 0.804 nan 8.280 nan 0.000 0.463 294 K N 4.968 125.041 120.400 -0.545 0.000 3.148 294 K HA -0.265 4.046 4.320 -0.014 0.000 0.267 294 K C 0.961 177.433 176.600 -0.213 0.000 0.996 294 K CA 1.000 57.018 56.287 -0.450 0.000 0.737 294 K CB -1.617 30.502 32.500 -0.636 0.000 1.308 294 K HN 1.327 nan 8.250 nan 0.000 0.470 295 G N 0.152 108.868 108.800 -0.139 0.000 2.320 295 G HA2 -0.377 3.575 3.960 -0.014 0.000 0.242 295 G HA3 -0.377 3.575 3.960 -0.014 0.000 0.242 295 G C -0.045 174.807 174.900 -0.080 0.000 1.033 295 G CA 0.517 45.560 45.100 -0.094 0.000 0.620 295 G HN 0.517 nan 8.290 nan 0.000 0.517 296 E N 1.736 121.890 120.200 -0.076 0.000 2.259 296 E HA 0.358 4.699 4.350 -0.014 0.000 0.281 296 E C 0.186 176.725 176.600 -0.101 0.000 1.037 296 E CA -0.497 55.863 56.400 -0.067 0.000 0.854 296 E CB 0.253 29.937 29.700 -0.026 0.000 1.051 296 E HN 0.325 nan 8.360 nan 0.000 0.409 297 K N 5.103 125.454 120.400 -0.081 0.000 2.379 297 K HA 0.110 4.422 4.320 -0.014 0.000 0.284 297 K C 0.931 177.446 176.600 -0.142 0.000 1.044 297 K CA 0.079 56.352 56.287 -0.023 0.000 0.974 297 K CB 0.634 33.158 32.500 0.040 0.000 0.962 297 K HN 0.574 nan 8.250 nan 0.000 0.474 298 I N -1.647 118.772 120.570 -0.252 0.000 4.187 298 I HA 0.289 4.450 4.170 -0.014 0.000 0.326 298 I C 0.616 176.536 176.117 -0.329 0.000 1.302 298 I CA -0.296 60.557 61.300 -0.745 0.000 1.196 298 I CB 0.996 38.233 38.000 -1.272 0.000 1.095 298 I HN 0.539 nan 8.210 nan 0.000 0.411 299 G N 0.759 109.531 108.800 -0.046 0.000 2.523 299 G HA2 0.376 4.328 3.960 -0.014 0.000 0.291 299 G HA3 0.376 4.328 3.960 -0.014 0.000 0.291 299 G C -2.100 172.700 174.900 -0.167 0.000 1.450 299 G CA -0.577 44.484 45.100 -0.065 0.000 0.790 299 G HN 0.117 nan 8.290 nan 0.000 0.496 300 Q N 0.116 119.694 119.800 -0.369 0.000 2.363 300 Q HA 0.529 4.860 4.340 -0.014 0.000 0.265 300 Q C 0.130 175.979 176.000 -0.252 0.000 1.032 300 Q CA 0.235 55.665 55.803 -0.623 0.000 0.746 300 Q CB 1.110 29.248 28.738 -0.999 0.000 1.237 300 Q HN 2.194 nan 8.270 nan 0.000 0.475 301 G N 2.849 111.648 108.800 -0.002 0.000 2.764 301 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.686 301 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.686 301 G C 0.192 175.035 174.900 -0.095 0.000 1.258 301 G CA 0.017 45.166 45.100 0.082 0.000 0.846 301 G HN 0.757 nan 8.290 nan 0.000 0.596 302 K N 1.148 121.472 120.400 -0.126 0.000 2.144 302 K HA -0.195 4.116 4.320 -0.014 0.000 0.209 302 K C 2.898 179.362 176.600 -0.227 0.000 1.047 302 K CA 2.726 58.810 56.287 -0.339 0.000 0.927 302 K CB -0.354 32.070 32.500 -0.128 0.000 0.716 302 K HN 1.242 nan 8.250 nan 0.000 0.454 303 A N 1.320 124.065 122.820 -0.125 0.000 1.869 303 A HA -0.286 4.025 4.320 -0.014 0.000 0.218 303 A C 1.763 179.296 177.584 -0.084 0.000 1.203 303 A CA 2.319 54.307 52.037 -0.082 0.000 0.638 303 A CB -0.974 17.991 19.000 -0.058 0.000 0.831 303 A HN 0.624 nan 8.150 nan 0.000 0.450 304 N N -0.234 118.405 118.700 -0.103 0.000 2.171 304 N HA 0.071 4.803 4.740 -0.014 0.000 0.184 304 N C 1.966 177.447 175.510 -0.047 0.000 1.021 304 N CA 0.949 53.960 53.050 -0.065 0.000 0.854 304 N CB -0.277 38.161 38.487 -0.081 0.000 0.994 304 N HN 0.500 nan 8.380 nan 0.000 0.426 305 A N 0.813 123.533 122.820 -0.167 0.000 1.908 305 A HA -0.193 4.119 4.320 -0.014 0.000 0.218 305 A C 2.268 179.824 177.584 -0.047 0.000 1.181 305 A CA 1.957 53.889 52.037 -0.175 0.000 0.627 305 A CB -1.172 17.479 19.000 -0.582 0.000 0.818 305 A HN 0.235 nan 8.150 nan 0.000 0.445 306 T N 0.360 114.860 114.554 -0.089 0.000 2.652 306 T HA -0.065 4.276 4.350 -0.014 0.000 0.267 306 T C 2.224 176.904 174.700 -0.034 0.000 1.039 306 T CA 1.811 63.900 62.100 -0.018 0.000 1.153 306 T CB -0.555 68.313 68.868 0.001 0.000 0.863 306 T HN 0.636 nan 8.240 nan 0.000 0.428 307 A N 0.045 122.854 122.820 -0.019 0.000 1.978 307 A HA -0.112 4.199 4.320 -0.014 0.000 0.220 307 A C 2.036 179.599 177.584 -0.035 0.000 1.170 307 A CA 1.474 53.491 52.037 -0.032 0.000 0.636 307 A CB -1.035 17.962 19.000 -0.004 0.000 0.810 307 A HN 0.721 nan 8.150 nan 0.000 0.448 308 W N 0.281 121.498 121.300 -0.140 0.000 2.407 308 W HA -0.047 4.605 4.660 -0.014 0.000 0.305 308 W C 1.740 178.151 176.519 -0.180 0.000 1.196 308 W CA 1.571 58.843 57.345 -0.121 0.000 1.311 308 W CB -0.237 29.181 29.460 -0.069 0.000 1.135 308 W HN 0.228 nan 8.180 nan 0.000 0.514 309 L N 0.738 121.942 121.223 -0.032 0.000 2.131 309 L HA -0.226 4.105 4.340 -0.014 0.000 0.210 309 L C 2.479 178.905 176.870 -0.740 0.000 1.092 309 L CA 1.427 56.083 54.840 -0.307 0.000 0.759 309 L CB -0.722 41.262 42.059 -0.125 0.000 0.903 309 L HN -0.038 nan 8.230 nan 0.000 0.435 310 K N -0.011 119.919 120.400 -0.783 0.000 2.026 310 K HA -0.193 4.119 4.320 -0.014 0.000 0.208 310 K C 1.536 177.848 176.600 -0.481 0.000 1.048 310 K CA 1.776 57.595 56.287 -0.779 0.000 0.929 310 K CB 0.026 32.285 32.500 -0.401 0.000 0.713 310 K HN 0.221 nan 8.250 nan 0.000 0.439 311 D N 0.038 120.171 120.400 -0.445 0.000 2.277 311 D HA -0.051 4.580 4.640 -0.014 0.000 0.208 311 D C -0.267 175.745 176.300 -0.481 0.000 0.962 311 D CA 0.862 54.622 54.000 -0.399 0.000 0.865 311 D CB 0.012 40.591 40.800 -0.369 0.000 0.939 311 D HN 0.131 nan 8.370 nan 0.000 0.510 312 N N 0.247 118.550 118.700 -0.662 0.000 3.012 312 N HA 0.195 4.927 4.740 -0.014 0.000 0.270 312 N C -2.131 173.150 175.510 -0.382 0.000 1.469 312 N CA -1.140 51.551 53.050 -0.599 0.000 0.928 312 N CB 1.705 39.580 38.487 -1.020 0.000 1.219 312 N HN -0.073 nan 8.380 nan 0.000 0.492 313 P HA -0.118 nan 4.420 nan 0.000 0.220 313 P C 0.973 178.227 177.300 -0.077 0.000 1.148 313 P CA 1.049 64.071 63.100 -0.130 0.000 0.803 313 P CB 0.506 32.154 31.700 -0.086 0.000 0.782 314 E N -0.515 119.630 120.200 -0.092 0.000 2.047 314 E HA -0.106 4.235 4.350 -0.014 0.000 0.191 314 E C 1.848 178.435 176.600 -0.022 0.000 0.987 314 E CA 1.607 57.980 56.400 -0.045 0.000 0.799 314 E CB -1.536 28.140 29.700 -0.040 0.000 0.752 314 E HN 0.293 nan 8.360 nan 0.000 0.449 315 T N 1.501 116.024 114.554 -0.051 0.000 2.867 315 T HA 0.003 4.344 4.350 -0.014 0.000 0.268 315 T C 2.032 176.709 174.700 -0.039 0.000 1.057 315 T CA 1.152 63.248 62.100 -0.006 0.000 1.136 315 T CB -0.164 68.722 68.868 0.029 0.000 0.874 315 T HN 0.255 nan 8.240 nan 0.000 0.466 316 A N 2.296 125.088 122.820 -0.048 0.000 1.877 316 A HA -0.115 4.197 4.320 -0.014 0.000 0.216 316 A C 2.339 179.974 177.584 0.086 0.000 1.186 316 A CA 1.142 53.203 52.037 0.038 0.000 0.620 316 A CB -0.327 18.736 19.000 0.105 0.000 0.822 316 A HN 0.208 nan 8.150 nan 0.000 0.443 317 K N -0.202 120.237 120.400 0.066 0.000 2.063 317 K HA -0.200 4.112 4.320 -0.014 0.000 0.208 317 K C 1.940 178.576 176.600 0.060 0.000 1.048 317 K CA 1.630 57.956 56.287 0.064 0.000 0.928 317 K CB -0.450 32.071 32.500 0.035 0.000 0.713 317 K HN 0.786 nan 8.250 nan 0.000 0.442 318 E N 0.702 120.933 120.200 0.052 0.000 2.085 318 E HA -0.163 4.178 4.350 -0.014 0.000 0.194 318 E C 2.066 178.708 176.600 0.071 0.000 0.994 318 E CA 1.009 57.451 56.400 0.069 0.000 0.801 318 E CB -0.015 29.744 29.700 0.098 0.000 0.743 318 E HN 0.252 nan 8.360 nan 0.000 0.453 319 I N 0.775 121.364 120.570 0.031 0.000 2.233 319 I HA -0.200 3.962 4.170 -0.014 0.000 0.243 319 I C 2.695 178.842 176.117 0.050 0.000 1.093 319 I CA 1.091 62.404 61.300 0.021 0.000 1.380 319 I CB -0.384 37.569 38.000 -0.079 0.000 1.067 319 I HN 0.215 nan 8.210 nan 0.000 0.413 320 E N 1.828 122.069 120.200 0.068 0.000 2.070 320 E HA -0.314 4.027 4.350 -0.014 0.000 0.197 320 E C 2.260 178.900 176.600 0.065 0.000 1.004 320 E CA 1.572 58.020 56.400 0.081 0.000 0.805 320 E CB -0.029 29.763 29.700 0.153 0.000 0.744 320 E HN 0.279 nan 8.360 nan 0.000 0.451 321 K N 0.614 121.053 120.400 0.065 0.000 2.044 321 K HA -0.225 4.086 4.320 -0.014 0.000 0.210 321 K C 2.190 178.820 176.600 0.050 0.000 1.049 321 K CA 1.788 58.108 56.287 0.054 0.000 0.927 321 K CB -0.045 32.486 32.500 0.051 0.000 0.713 321 K HN 0.011 nan 8.250 nan 0.000 0.443 322 K N 0.057 120.492 120.400 0.058 0.000 2.097 322 K HA -0.096 4.215 4.320 -0.014 0.000 0.206 322 K C 1.996 178.625 176.600 0.049 0.000 1.049 322 K CA 1.133 57.456 56.287 0.059 0.000 0.933 322 K CB 0.042 32.590 32.500 0.080 0.000 0.717 322 K HN -0.020 nan 8.250 nan 0.000 0.442 323 V N 1.136 121.077 119.914 0.044 0.000 2.307 323 V HA -0.247 3.865 4.120 -0.014 0.000 0.245 323 V C 2.146 178.254 176.094 0.023 0.000 1.045 323 V CA 1.671 63.988 62.300 0.029 0.000 1.024 323 V CB -0.424 31.408 31.823 0.014 0.000 0.651 323 V HN 0.279 nan 8.190 nan 0.000 0.449 324 R N -0.107 120.409 120.500 0.026 0.000 2.081 324 R HA -0.185 4.147 4.340 -0.014 0.000 0.235 324 R C 2.315 178.629 176.300 0.024 0.000 1.131 324 R CA 1.794 57.908 56.100 0.024 0.000 0.960 324 R CB -0.325 29.993 30.300 0.030 0.000 0.856 324 R HN 0.624 nan 8.270 nan 0.000 0.436 325 E N 0.617 120.834 120.200 0.028 0.000 2.077 325 E HA -0.169 4.173 4.350 -0.014 0.000 0.193 325 E C 2.027 178.642 176.600 0.025 0.000 0.989 325 E CA 0.953 57.369 56.400 0.027 0.000 0.800 325 E CB -0.066 29.653 29.700 0.031 0.000 0.746 325 E HN 0.291 nan 8.360 nan 0.000 0.452 326 L N 0.148 121.387 121.223 0.027 0.000 2.217 326 L HA -0.106 4.225 4.340 -0.014 0.000 0.211 326 L C 1.923 178.806 176.870 0.021 0.000 1.107 326 L CA 0.812 55.667 54.840 0.026 0.000 0.783 326 L CB 0.124 42.201 42.059 0.030 0.000 0.919 326 L HN 0.162 nan 8.230 nan 0.000 0.442 327 L N -1.494 119.740 121.223 0.018 0.000 3.039 327 L HA 0.206 4.538 4.340 -0.014 0.000 0.269 327 L C 0.215 177.094 176.870 0.014 0.000 1.169 327 L CA -0.269 54.580 54.840 0.015 0.000 0.986 327 L CB 0.764 42.830 42.059 0.012 0.000 1.377 327 L HN 0.032 nan 8.230 nan 0.000 0.575 328 L N 1.440 122.672 121.223 0.014 0.000 2.369 328 L HA 0.094 4.425 4.340 -0.014 0.000 0.279 328 L C 1.060 177.938 176.870 0.014 0.000 1.108 328 L CA -0.099 54.749 54.840 0.013 0.000 0.852 328 L CB 1.238 43.305 42.059 0.014 0.000 1.169 328 L HN 0.181 nan 8.230 nan 0.000 0.452 329 S N 2.124 117.832 115.700 0.013 0.000 3.033 329 S HA 0.141 4.602 4.470 -0.014 0.000 0.258 329 S C 0.067 174.675 174.600 0.012 0.000 1.207 329 S CA -0.478 57.731 58.200 0.014 0.000 1.248 329 S CB -0.660 62.550 63.200 0.015 0.000 0.932 329 S HN 0.795 nan 8.310 nan 0.000 0.472 330 N N 0.422 119.130 118.700 0.012 0.000 5.360 330 N HA 0.264 4.995 4.740 -0.014 0.000 0.154 330 N C -3.402 172.115 175.510 0.012 0.000 1.009 330 N CA -0.590 52.467 53.050 0.011 0.000 1.167 330 N CB 0.714 39.207 38.487 0.010 0.000 1.517 330 N HN -0.010 nan 8.380 nan 0.000 0.911 331 P HA 0.264 nan 4.420 nan 0.000 0.272 331 P C 0.276 177.582 177.300 0.010 0.000 1.223 331 P CA -0.284 62.823 63.100 0.012 0.000 0.784 331 P CB 0.680 32.387 31.700 0.012 0.000 0.923 332 N N -0.379 118.327 118.700 0.010 0.000 2.106 332 N HA -0.077 4.654 4.740 -0.014 0.000 0.188 332 N C 0.770 176.285 175.510 0.008 0.000 1.029 332 N CA 0.547 53.602 53.050 0.009 0.000 0.848 332 N CB 0.068 38.560 38.487 0.008 0.000 1.007 332 N HN 0.557 nan 8.380 nan 0.000 0.423 1002 I N 0.974 121.544 120.570 -0.001 0.000 2.947 1002 I HA 0.060 4.222 4.170 -0.014 0.000 0.263 1002 I C 1.763 177.880 176.117 -0.001 0.000 1.130 1002 I CA 1.168 62.468 61.300 -0.000 0.000 1.448 1002 I CB -0.058 37.942 38.000 -0.001 0.000 1.222 1002 I HN 0.371 nan 8.210 nan 0.000 0.453 1003 D N 1.070 121.469 120.400 -0.002 0.000 2.355 1003 D HA -0.118 4.514 4.640 -0.014 0.000 0.218 1003 D C 1.419 177.718 176.300 -0.002 0.000 1.004 1003 D CA 0.614 54.613 54.000 -0.002 0.000 0.880 1003 D CB -0.266 40.532 40.800 -0.003 0.000 0.911 1003 D HN 0.421 nan 8.370 nan 0.000 0.528 1004 E N 0.167 120.366 120.200 -0.001 0.000 2.158 1004 E HA -0.033 4.308 4.350 -0.014 0.000 0.191 1004 E C 1.581 178.181 176.600 0.000 0.000 0.982 1004 E CA 0.273 56.672 56.400 -0.001 0.000 0.823 1004 E CB -0.039 29.661 29.700 -0.001 0.000 0.766 1004 E HN 0.211 nan 8.360 nan 0.000 0.468 1005 N N 1.226 119.926 118.700 0.001 0.000 2.270 1005 N HA -0.087 4.644 4.740 -0.014 0.000 0.181 1005 N C 1.463 176.974 175.510 0.002 0.000 1.016 1005 N CA 0.801 53.851 53.050 0.001 0.000 0.870 1005 N CB 0.080 38.568 38.487 0.002 0.000 0.979 1005 N HN 0.159 nan 8.380 nan 0.000 0.431 1006 K N 0.917 121.318 120.400 0.001 0.000 2.057 1006 K HA -0.060 4.251 4.320 -0.014 0.000 0.207 1006 K C 1.886 178.487 176.600 0.002 0.000 1.049 1006 K CA 0.935 57.222 56.287 0.001 0.000 0.931 1006 K CB -0.004 32.496 32.500 -0.000 0.000 0.714 1006 K HN 0.260 nan 8.250 nan 0.000 0.440 1007 Q N 0.535 120.336 119.800 0.001 0.000 2.297 1007 Q HA -0.107 4.225 4.340 -0.014 0.000 0.204 1007 Q C 1.968 177.969 176.000 0.003 0.000 0.962 1007 Q CA 0.801 56.605 55.803 0.002 0.000 0.879 1007 Q CB 0.118 28.856 28.738 0.001 0.000 0.947 1007 Q HN 0.257 nan 8.270 nan 0.000 0.462 1008 K N 0.875 121.277 120.400 0.003 0.000 1.985 1008 K HA -0.125 4.186 4.320 -0.014 0.000 0.210 1008 K C 1.961 178.563 176.600 0.005 0.000 1.047 1008 K CA 1.297 57.586 56.287 0.003 0.000 0.932 1008 K CB -0.081 32.420 32.500 0.003 0.000 0.716 1008 K HN 0.113 nan 8.250 nan 0.000 0.439 1009 A N 1.087 123.910 122.820 0.005 0.000 2.066 1009 A HA -0.088 4.223 4.320 -0.014 0.000 0.218 1009 A C 1.964 179.553 177.584 0.008 0.000 1.157 1009 A CA 0.911 52.952 52.037 0.006 0.000 0.670 1009 A CB -0.405 18.599 19.000 0.006 0.000 0.804 1009 A HN 0.407 nan 8.150 nan 0.000 0.453 1010 L N -0.138 121.089 121.223 0.006 0.000 1.973 1010 L HA -0.019 4.312 4.340 -0.014 0.000 0.208 1010 L C 2.664 179.540 176.870 0.010 0.000 1.073 1010 L CA 2.335 57.179 54.840 0.007 0.000 0.746 1010 L CB -0.804 41.258 42.059 0.005 0.000 0.891 1010 L HN 0.280 nan 8.230 nan 0.000 0.433 1011 A N -0.270 122.555 122.820 0.008 0.000 1.948 1011 A HA -0.195 4.116 4.320 -0.014 0.000 0.220 1011 A C 2.437 180.027 177.584 0.011 0.000 1.177 1011 A CA 2.086 54.129 52.037 0.009 0.000 0.636 1011 A CB -1.337 17.667 19.000 0.007 0.000 0.815 1011 A HN 0.676 nan 8.150 nan 0.000 0.449 1012 A N -0.313 122.513 122.820 0.010 0.000 1.933 1012 A HA 0.152 4.463 4.320 -0.014 0.000 0.218 1012 A C 2.487 180.080 177.584 0.015 0.000 1.175 1012 A CA 2.102 54.145 52.037 0.011 0.000 0.628 1012 A CB -0.919 18.087 19.000 0.009 0.000 0.814 1012 A HN 1.065 nan 8.150 nan 0.000 0.444 1013 A N -0.727 122.104 122.820 0.018 0.000 1.898 1013 A HA 0.072 4.383 4.320 -0.014 0.000 0.216 1013 A C 2.034 179.638 177.584 0.034 0.000 1.181 1013 A CA 1.507 53.559 52.037 0.026 0.000 0.620 1013 A CB -0.515 18.498 19.000 0.023 0.000 0.819 1013 A HN 0.392 nan 8.150 nan 0.000 0.442 1014 L N -0.066 121.174 121.223 0.028 0.000 2.083 1014 L HA -0.055 4.277 4.340 -0.014 0.000 0.209 1014 L C 2.749 179.640 176.870 0.035 0.000 1.083 1014 L CA 1.737 56.597 54.840 0.033 0.000 0.752 1014 L CB -0.882 41.192 42.059 0.025 0.000 0.899 1014 L HN 0.412 nan 8.230 nan 0.000 0.433 1015 G N -1.213 107.602 108.800 0.025 0.000 2.421 1015 G HA2 -0.363 3.588 3.960 -0.014 0.000 0.216 1015 G HA3 -0.363 3.588 3.960 -0.014 0.000 0.216 1015 G C 1.474 176.385 174.900 0.019 0.000 1.171 1015 G CA 0.918 46.030 45.100 0.019 0.000 0.775 1015 G HN 0.411 nan 8.290 nan 0.000 0.543 1016 Q N 0.638 120.450 119.800 0.020 0.000 2.029 1016 Q HA -0.172 4.159 4.340 -0.014 0.000 0.209 1016 Q C 2.362 178.381 176.000 0.032 0.000 0.999 1016 Q CA 2.056 57.870 55.803 0.018 0.000 0.857 1016 Q CB -0.533 28.221 28.738 0.025 0.000 0.926 1016 Q HN 0.542 nan 8.270 nan 0.000 0.415 1017 I N 0.271 120.889 120.570 0.079 0.000 2.163 1017 I HA -0.266 3.896 4.170 -0.014 0.000 0.243 1017 I C 2.407 178.614 176.117 0.151 0.000 1.085 1017 I CA 1.841 63.241 61.300 0.166 0.000 1.347 1017 I CB -0.400 37.696 38.000 0.159 0.000 1.044 1017 I HN 0.363 nan 8.210 nan 0.000 0.408 1018 E N 0.444 120.698 120.200 0.089 0.000 2.152 1018 E HA -0.173 4.168 4.350 -0.014 0.000 0.192 1018 E C 1.756 178.375 176.600 0.032 0.000 0.983 1018 E CA 0.617 57.061 56.400 0.073 0.000 0.818 1018 E CB -0.003 29.728 29.700 0.052 0.000 0.758 1018 E HN 0.315 nan 8.360 nan 0.000 0.467 1019 K N 0.581 120.982 120.400 0.002 0.000 2.522 1019 K HA -0.002 4.310 4.320 -0.014 0.000 0.194 1019 K C 1.349 177.895 176.600 -0.090 0.000 1.026 1019 K CA 0.236 56.504 56.287 -0.031 0.000 1.119 1019 K CB 0.308 32.792 32.500 -0.026 0.000 0.856 1019 K HN 0.122 nan 8.250 nan 0.000 0.513 1020 Q N -1.541 118.176 119.800 -0.139 0.000 2.459 1020 Q HA 0.112 4.443 4.340 -0.014 0.000 0.260 1020 Q C 0.068 175.726 176.000 -0.570 0.000 0.828 1020 Q CA 0.301 55.866 55.803 -0.395 0.000 0.987 1020 Q CB 0.732 29.150 28.738 -0.534 0.000 1.216 1020 Q HN 0.163 nan 8.270 nan 0.000 0.558 1021 F N 0.009 119.966 119.950 0.011 0.000 2.775 1021 F HA 0.438 4.956 4.527 -0.014 0.000 0.313 1021 F C 0.487 176.297 175.800 0.017 0.000 1.121 1021 F CA 0.243 58.251 58.000 0.015 0.000 1.206 1021 F CB 1.752 40.762 39.000 0.016 0.000 1.052 1021 F HN 0.035 nan 8.300 nan 0.000 0.524 1022 G N 0.313 109.187 108.800 0.123 0.000 2.539 1022 G HA2 -0.125 3.826 3.960 -0.014 0.000 0.686 1022 G HA3 -0.125 3.826 3.960 -0.014 0.000 0.686 1022 G C 0.544 175.486 174.900 0.071 0.000 1.258 1022 G CA -0.904 44.248 45.100 0.088 0.000 0.846 1022 G HN -0.106 nan 8.290 nan 0.000 0.647 1023 K N 0.111 120.541 120.400 0.050 0.000 2.071 1023 K HA -0.163 4.149 4.320 -0.014 0.000 0.217 1023 K C 1.800 178.426 176.600 0.043 0.000 1.054 1023 K CA 2.167 58.478 56.287 0.039 0.000 0.937 1023 K CB -0.352 32.167 32.500 0.032 0.000 0.719 1023 K HN 1.471 nan 8.250 nan 0.000 0.454 1024 G N 0.699 109.528 108.800 0.049 0.000 4.885 1024 G HA2 0.171 4.122 3.960 -0.014 0.000 0.263 1024 G HA3 0.171 4.122 3.960 -0.014 0.000 0.263 1024 G C 0.753 175.685 174.900 0.052 0.000 1.168 1024 G CA 0.145 45.272 45.100 0.045 0.000 0.906 1024 G HN 0.216 nan 8.290 nan 0.000 0.575 1025 S N -0.087 115.654 115.700 0.069 0.000 2.383 1025 S HA 0.124 4.585 4.470 -0.014 0.000 0.227 1025 S C 0.937 175.562 174.600 0.042 0.000 1.026 1025 S CA 0.426 58.668 58.200 0.070 0.000 0.981 1025 S CB 0.276 63.548 63.200 0.120 0.000 0.818 1025 S HN 0.473 nan 8.310 nan 0.000 0.472 1026 I N 1.715 122.311 120.570 0.044 0.000 2.498 1026 I HA 0.616 4.778 4.170 -0.014 0.000 0.290 1026 I C -1.002 175.131 176.117 0.027 0.000 1.032 1026 I CA -1.344 59.973 61.300 0.029 0.000 1.073 1026 I CB 1.750 39.766 38.000 0.028 0.000 1.251 1026 I HN 0.462 nan 8.210 nan 0.000 0.426 1027 M N 4.610 124.223 119.600 0.021 0.000 2.880 1027 M HA 0.572 5.044 4.480 -0.014 0.000 0.269 1027 M C -1.162 175.145 176.300 0.012 0.000 1.248 1027 M CA -1.089 54.222 55.300 0.017 0.000 0.821 1027 M CB 1.405 34.016 32.600 0.017 0.000 1.650 1027 M HN 0.277 nan 8.290 nan 0.000 0.479 1028 R N 1.199 121.703 120.500 0.007 0.000 2.449 1028 R HA 0.246 4.578 4.340 -0.014 0.000 0.296 1028 R C 0.991 177.289 176.300 -0.005 0.000 1.047 1028 R CA -0.106 55.995 56.100 0.001 0.000 1.018 1028 R CB 0.251 30.549 30.300 -0.002 0.000 0.962 1028 R HN 0.685 nan 8.270 nan 0.000 0.428 1029 L N 2.439 123.655 121.223 -0.013 0.000 2.089 1029 L HA -0.205 4.126 4.340 -0.014 0.000 0.213 1029 L C 1.769 178.624 176.870 -0.024 0.000 1.079 1029 L CA 2.129 56.954 54.840 -0.026 0.000 0.758 1029 L CB -0.401 41.626 42.059 -0.053 0.000 0.891 1029 L HN 0.980 nan 8.230 nan 0.000 0.433 1030 G N -0.479 108.308 108.800 -0.022 0.000 2.471 1030 G HA2 -0.234 3.717 3.960 -0.014 0.000 0.219 1030 G HA3 -0.234 3.717 3.960 -0.014 0.000 0.219 1030 G C 1.233 176.127 174.900 -0.011 0.000 1.125 1030 G CA 0.765 45.853 45.100 -0.019 0.000 0.775 1030 G HN 0.714 nan 8.290 nan 0.000 0.548 1031 E N -0.465 119.731 120.200 -0.007 0.000 2.473 1031 E HA 0.068 4.409 4.350 -0.014 0.000 0.204 1031 E C -0.144 176.458 176.600 0.002 0.000 0.994 1031 E CA -0.435 55.964 56.400 -0.002 0.000 0.945 1031 E CB 0.114 29.814 29.700 0.000 0.000 0.990 1031 E HN 0.124 nan 8.360 nan 0.000 0.493 1032 D N 1.881 122.282 120.400 0.002 0.000 2.349 1032 D HA 0.005 4.637 4.640 -0.014 0.000 0.266 1032 D C 0.700 177.005 176.300 0.008 0.000 1.293 1032 D CA -0.001 54.003 54.000 0.007 0.000 0.926 1032 D CB 0.749 41.553 40.800 0.007 0.000 1.090 1032 D HN -0.011 nan 8.370 nan 0.000 0.502 1033 R N 1.787 122.293 120.500 0.011 0.000 2.090 1033 R HA -0.078 4.254 4.340 -0.014 0.000 0.228 1033 R C 1.993 178.302 176.300 0.016 0.000 1.110 1033 R CA 0.713 56.820 56.100 0.012 0.000 0.973 1033 R CB -0.894 29.413 30.300 0.012 0.000 0.869 1033 R HN 0.491 nan 8.270 nan 0.000 0.440 1034 S N -0.220 115.493 115.700 0.022 0.000 2.595 1034 S HA -0.086 4.376 4.470 -0.014 0.000 0.235 1034 S C 1.703 176.323 174.600 0.033 0.000 0.974 1034 S CA 0.723 58.941 58.200 0.030 0.000 0.942 1034 S CB -0.050 63.174 63.200 0.039 0.000 0.766 1034 S HN 0.084 nan 8.310 nan 0.000 0.536 1035 M N 1.769 121.383 119.600 0.023 0.000 2.492 1035 M HA 0.278 4.750 4.480 -0.014 0.000 0.255 1035 M C -0.474 175.835 176.300 0.015 0.000 1.139 1035 M CA 0.159 55.470 55.300 0.019 0.000 1.096 1035 M CB 0.103 32.706 32.600 0.004 0.000 1.360 1035 M HN 0.079 nan 8.290 nan 0.000 0.480 1036 D N 0.625 121.033 120.400 0.013 0.000 2.399 1036 D HA 0.093 4.725 4.640 -0.014 0.000 0.241 1036 D C -0.439 175.869 176.300 0.014 0.000 1.133 1036 D CA 0.178 54.185 54.000 0.011 0.000 0.890 1036 D CB 1.096 41.902 40.800 0.009 0.000 1.201 1036 D HN -0.098 nan 8.370 nan 0.000 0.432 1037 V N 2.055 121.977 119.914 0.012 0.000 2.407 1037 V HA 0.160 4.272 4.120 -0.014 0.000 0.278 1037 V C 0.512 176.611 176.094 0.009 0.000 1.037 1037 V CA -0.324 61.983 62.300 0.011 0.000 0.900 1037 V CB 1.369 33.197 31.823 0.007 0.000 0.983 1037 V HN 0.430 nan 8.190 nan 0.000 0.459 1038 E N 2.996 123.201 120.200 0.008 0.000 2.227 1038 E HA 0.658 4.999 4.350 -0.014 0.000 0.268 1038 E C -0.736 175.865 176.600 0.002 0.000 0.907 1038 E CA -0.435 55.968 56.400 0.005 0.000 0.786 1038 E CB 2.309 32.013 29.700 0.006 0.000 1.191 1038 E HN 0.832 nan 8.360 nan 0.000 0.411 1039 T N 0.555 115.109 114.554 -0.001 0.000 2.916 1039 T HA 0.631 4.972 4.350 -0.014 0.000 0.292 1039 T C -0.367 174.329 174.700 -0.007 0.000 1.064 1039 T CA -0.865 61.232 62.100 -0.004 0.000 1.011 1039 T CB 1.071 69.937 68.868 -0.005 0.000 1.152 1039 T HN 0.262 nan 8.240 nan 0.000 0.510 1040 I N 1.672 122.236 120.570 -0.010 0.000 2.509 1040 I HA 0.425 4.586 4.170 -0.014 0.000 0.293 1040 I C 0.749 176.856 176.117 -0.016 0.000 1.020 1040 I CA -0.783 60.508 61.300 -0.016 0.000 1.088 1040 I CB 1.693 39.682 38.000 -0.019 0.000 1.267 1040 I HN 0.952 nan 8.210 nan 0.000 0.430 1041 S N 2.813 118.500 115.700 -0.021 0.000 2.558 1041 S HA 0.039 4.500 4.470 -0.014 0.000 0.288 1041 S C 1.356 175.940 174.600 -0.026 0.000 1.318 1041 S CA 0.423 58.612 58.200 -0.018 0.000 1.056 1041 S CB 0.382 63.564 63.200 -0.031 0.000 0.853 1041 S HN 0.814 nan 8.310 nan 0.000 0.505 1042 T N 1.466 116.008 114.554 -0.019 0.000 3.100 1042 T HA 0.347 4.689 4.350 -0.014 0.000 0.253 1042 T C 1.501 176.166 174.700 -0.059 0.000 1.118 1042 T CA 0.637 62.717 62.100 -0.033 0.000 1.058 1042 T CB -0.352 68.499 68.868 -0.028 0.000 0.953 1042 T HN 1.652 nan 8.240 nan 0.000 0.515 1043 G N 0.758 109.529 108.800 -0.049 0.000 2.199 1043 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.254 1043 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.254 1043 G C 0.191 175.083 174.900 -0.013 0.000 0.982 1043 G CA 0.215 45.273 45.100 -0.070 0.000 0.632 1043 G HN 1.090 nan 8.290 nan 0.000 0.529 1044 S N -0.238 115.403 115.700 -0.098 0.000 2.498 1044 S HA 0.634 5.095 4.470 -0.014 0.000 0.317 1044 S C 1.151 175.677 174.600 -0.125 0.000 1.090 1044 S CA 0.023 58.075 58.200 -0.247 0.000 1.089 1044 S CB 1.492 64.335 63.200 -0.595 0.000 0.997 1044 S HN 0.931 nan 8.310 nan 0.000 0.470 1045 L N 5.778 126.829 121.223 -0.287 0.000 2.027 1045 L HA 0.030 4.361 4.340 -0.014 0.000 0.206 1045 L C 2.561 179.335 176.870 -0.160 0.000 1.074 1045 L CA 2.690 57.348 54.840 -0.303 0.000 0.745 1045 L CB -0.970 40.636 42.059 -0.755 0.000 0.898 1045 L HN 0.892 nan 8.230 nan 0.000 0.433 1046 S N -1.160 114.458 115.700 -0.138 0.000 2.402 1046 S HA -0.196 4.265 4.470 -0.014 0.000 0.229 1046 S C 2.099 176.709 174.600 0.016 0.000 1.021 1046 S CA 1.335 59.516 58.200 -0.032 0.000 0.974 1046 S CB -1.005 62.210 63.200 0.025 0.000 0.800 1046 S HN 0.495 nan 8.310 nan 0.000 0.484 1047 L N 1.395 122.634 121.223 0.027 0.000 2.093 1047 L HA -0.093 4.239 4.340 -0.014 0.000 0.208 1047 L C 1.890 178.765 176.870 0.009 0.000 1.085 1047 L CA 1.671 56.540 54.840 0.047 0.000 0.755 1047 L CB -0.427 41.667 42.059 0.060 0.000 0.904 1047 L HN 0.197 nan 8.230 nan 0.000 0.435 1048 D N -0.029 120.366 120.400 -0.008 0.000 2.178 1048 D HA -0.170 4.462 4.640 -0.014 0.000 0.201 1048 D C 2.176 178.473 176.300 -0.004 0.000 0.980 1048 D CA 1.337 55.335 54.000 -0.003 0.000 0.842 1048 D CB -0.003 40.803 40.800 0.010 0.000 0.948 1048 D HN 0.392 nan 8.370 nan 0.000 0.472 1049 I N 0.978 121.544 120.570 -0.008 0.000 2.233 1049 I HA -0.184 3.978 4.170 -0.014 0.000 0.243 1049 I C 2.454 178.571 176.117 0.001 0.000 1.093 1049 I CA 0.890 62.189 61.300 -0.003 0.000 1.380 1049 I CB -0.196 37.800 38.000 -0.006 0.000 1.067 1049 I HN -0.102 nan 8.210 nan 0.000 0.413 1050 A N 0.679 123.502 122.820 0.004 0.000 2.024 1050 A HA -0.142 4.170 4.320 -0.014 0.000 0.220 1050 A C 2.257 179.830 177.584 -0.018 0.000 1.164 1050 A CA 1.360 53.399 52.037 0.003 0.000 0.643 1050 A CB -0.837 18.172 19.000 0.015 0.000 0.806 1050 A HN 0.424 nan 8.150 nan 0.000 0.451 1051 L N -1.687 119.524 121.223 -0.021 0.000 2.465 1051 L HA 0.044 4.375 4.340 -0.014 0.000 0.224 1051 L C 2.205 179.049 176.870 -0.043 0.000 1.145 1051 L CA 0.650 55.466 54.840 -0.039 0.000 0.834 1051 L CB -0.384 41.657 42.059 -0.030 0.000 0.944 1051 L HN 0.621 nan 8.230 nan 0.000 0.451 1052 G N -0.057 108.728 108.800 -0.024 0.000 2.779 1052 G HA2 -0.459 3.493 3.960 -0.014 0.000 0.230 1052 G HA3 -0.459 3.493 3.960 -0.014 0.000 0.230 1052 G C 1.174 176.067 174.900 -0.010 0.000 1.243 1052 G CA 0.629 45.719 45.100 -0.017 0.000 0.769 1052 G HN 0.448 nan 8.290 nan 0.000 0.516 1053 A N 0.196 123.004 122.820 -0.019 0.000 2.119 1053 A HA 0.509 4.820 4.320 -0.014 0.000 0.216 1053 A C 2.773 180.355 177.584 -0.004 0.000 1.152 1053 A CA 2.252 54.282 52.037 -0.011 0.000 0.708 1053 A CB -0.549 18.439 19.000 -0.019 0.000 0.805 1053 A HN 2.679 nan 8.150 nan 0.000 0.460 1054 G N -3.295 105.502 108.800 -0.004 0.000 2.179 1054 G HA2 0.319 4.270 3.960 -0.014 0.000 0.220 1054 G HA3 0.319 4.270 3.960 -0.014 0.000 0.220 1054 G C 0.838 175.740 174.900 0.002 0.000 0.990 1054 G CA 0.310 45.412 45.100 0.003 0.000 0.646 1054 G HN 2.120 nan 8.290 nan 0.000 0.517 1055 G N -1.390 107.406 108.800 -0.005 0.000 2.324 1055 G HA2 0.530 4.482 3.960 -0.014 0.000 0.293 1055 G HA3 0.530 4.482 3.960 -0.014 0.000 0.293 1055 G C -0.872 174.021 174.900 -0.012 0.000 1.297 1055 G CA -0.494 44.602 45.100 -0.007 0.000 0.853 1055 G HN 0.849 nan 8.290 nan 0.000 0.535 1056 L N 1.930 123.146 121.223 -0.011 0.000 2.371 1056 L HA 0.421 4.752 4.340 -0.014 0.000 0.272 1056 L C -1.759 175.107 176.870 -0.008 0.000 1.124 1056 L CA -1.664 53.169 54.840 -0.011 0.000 0.816 1056 L CB 1.471 43.525 42.059 -0.008 0.000 1.129 1056 L HN 0.303 nan 8.230 nan 0.000 0.448 1057 P HA 0.138 nan 4.420 nan 0.000 0.282 1057 P C -0.725 176.579 177.300 0.007 0.000 1.262 1057 P CA -0.472 62.628 63.100 0.001 0.000 0.773 1057 P CB 0.933 32.634 31.700 0.002 0.000 0.879 1058 M N 2.132 121.737 119.600 0.007 0.000 2.238 1058 M HA 0.197 4.669 4.480 -0.014 0.000 0.347 1058 M C 1.588 177.899 176.300 0.019 0.000 1.173 1058 M CA 0.879 56.184 55.300 0.009 0.000 1.147 1058 M CB -0.576 32.028 32.600 0.006 0.000 1.547 1058 M HN 0.832 nan 8.290 nan 0.000 0.455 1059 G N 2.571 111.382 108.800 0.018 0.000 2.153 1059 G HA2 -0.210 3.742 3.960 -0.014 0.000 0.252 1059 G HA3 -0.210 3.742 3.960 -0.014 0.000 0.252 1059 G C 0.222 175.149 174.900 0.045 0.000 0.994 1059 G CA 0.019 45.137 45.100 0.029 0.000 0.698 1059 G HN 0.560 nan 8.290 nan 0.000 0.521 1060 R N -0.970 119.556 120.500 0.044 0.000 2.939 1060 R HA 0.776 5.108 4.340 -0.014 0.000 0.254 1060 R C 0.046 176.389 176.300 0.072 0.000 1.123 1060 R CA -1.097 55.043 56.100 0.066 0.000 1.020 1060 R CB 0.853 31.186 30.300 0.056 0.000 1.206 1060 R HN 0.197 nan 8.270 nan 0.000 0.491 1061 I N 0.829 121.466 120.570 0.111 0.000 2.412 1061 I HA 0.365 4.526 4.170 -0.014 0.000 0.296 1061 I C -0.398 175.800 176.117 0.135 0.000 0.987 1061 I CA -0.842 60.549 61.300 0.151 0.000 1.180 1061 I CB 1.908 40.045 38.000 0.229 0.000 1.340 1061 I HN -0.016 nan 8.210 nan 0.000 0.455 1062 V N 5.321 125.318 119.914 0.138 0.000 2.735 1062 V HA 0.399 4.510 4.120 -0.014 0.000 0.310 1062 V C -0.469 175.726 176.094 0.169 0.000 1.061 1062 V CA -0.691 61.675 62.300 0.111 0.000 0.913 1062 V CB 2.053 33.907 31.823 0.052 0.000 1.005 1062 V HN 0.732 nan 8.190 nan 0.000 0.428 1063 E N 3.714 124.002 120.200 0.146 0.000 2.187 1063 E HA 0.664 5.006 4.350 -0.014 0.000 0.268 1063 E C -1.575 175.105 176.600 0.133 0.000 0.896 1063 E CA -0.620 55.887 56.400 0.178 0.000 0.766 1063 E CB 1.701 31.508 29.700 0.179 0.000 1.142 1063 E HN 0.649 nan 8.360 nan 0.000 0.408 1064 I N 5.460 126.106 120.570 0.127 0.000 2.406 1064 I HA 0.347 4.508 4.170 -0.014 0.000 0.290 1064 I C -0.902 175.291 176.117 0.127 0.000 0.999 1064 I CA -0.972 60.362 61.300 0.058 0.000 1.124 1064 I CB 0.826 38.851 38.000 0.041 0.000 1.289 1064 I HN 0.509 nan 8.210 nan 0.000 0.441 1065 Y N 3.993 124.322 120.300 0.048 0.000 2.605 1065 Y HA 1.006 5.548 4.550 -0.014 0.000 0.343 1065 Y C -0.145 175.799 175.900 0.073 0.000 1.036 1065 Y CA -1.145 56.984 58.100 0.047 0.000 1.065 1065 Y CB 1.950 40.422 38.460 0.020 0.000 1.288 1065 Y HN 0.672 nan 8.280 nan 0.000 0.481 1066 G N 0.498 109.477 108.800 0.298 0.000 2.328 1066 G HA2 0.444 4.395 3.960 -0.014 0.000 0.295 1066 G HA3 0.444 4.395 3.960 -0.014 0.000 0.295 1066 G C -3.519 171.591 174.900 0.350 0.000 1.413 1066 G CA -1.362 43.881 45.100 0.239 0.000 0.817 1066 G HN 0.491 nan 8.290 nan 0.000 0.546 1067 P HA 0.246 nan 4.420 nan 0.000 0.272 1067 P C -0.214 177.118 177.300 0.054 0.000 1.248 1067 P CA -0.118 63.108 63.100 0.209 0.000 0.799 1067 P CB 0.261 32.006 31.700 0.075 0.000 0.997 1068 E N -0.755 119.148 120.200 -0.495 0.000 2.383 1068 E HA 0.265 4.606 4.350 -0.014 0.000 0.264 1068 E C 0.073 176.574 176.600 -0.166 0.000 1.050 1068 E CA -0.438 55.642 56.400 -0.533 0.000 0.896 1068 E CB -0.397 28.728 29.700 -0.959 0.000 0.982 1068 E HN 0.247 nan 8.360 nan 0.000 0.424 1069 S N 0.355 116.017 115.700 -0.064 0.000 3.614 1069 S HA -0.220 4.241 4.470 -0.014 0.000 0.360 1069 S C 0.938 175.576 174.600 0.063 0.000 1.023 1069 S CA 0.903 59.103 58.200 -0.001 0.000 1.114 1069 S CB -1.613 61.562 63.200 -0.041 0.000 0.907 1069 S HN 0.733 nan 8.310 nan 0.000 0.470 1070 S N -0.503 115.244 115.700 0.078 0.000 2.470 1070 S HA 0.465 4.926 4.470 -0.014 0.000 0.222 1070 S C 1.536 176.202 174.600 0.109 0.000 1.024 1070 S CA 0.893 59.145 58.200 0.087 0.000 0.931 1070 S CB 0.717 63.965 63.200 0.079 0.000 0.791 1070 S HN 1.829 nan 8.310 nan 0.000 0.513 1071 G N 0.934 109.813 108.800 0.133 0.000 2.507 1071 G HA2 -0.112 3.840 3.960 -0.014 0.000 0.205 1071 G HA3 -0.112 3.840 3.960 -0.014 0.000 0.205 1071 G C 0.660 175.657 174.900 0.162 0.000 0.996 1071 G CA 0.080 45.281 45.100 0.167 0.000 0.776 1071 G HN 0.392 nan 8.290 nan 0.000 0.532 1072 K N 0.482 120.968 120.400 0.142 0.000 1.987 1072 K HA -0.099 4.213 4.320 -0.014 0.000 0.216 1072 K C 2.600 179.289 176.600 0.148 0.000 1.051 1072 K CA 2.202 58.569 56.287 0.133 0.000 0.942 1072 K CB -0.583 31.997 32.500 0.133 0.000 0.722 1072 K HN 0.311 nan 8.250 nan 0.000 0.444 1073 T N 0.983 115.636 114.554 0.166 0.000 2.607 1073 T HA -0.199 4.142 4.350 -0.014 0.000 0.267 1073 T C 2.106 176.926 174.700 0.200 0.000 1.049 1073 T CA 2.140 64.365 62.100 0.209 0.000 1.162 1073 T CB -0.871 68.120 68.868 0.205 0.000 0.863 1073 T HN 0.270 nan 8.240 nan 0.000 0.424 1074 T N 2.362 117.039 114.554 0.205 0.000 2.597 1074 T HA -0.116 4.225 4.350 -0.014 0.000 0.267 1074 T C 1.935 176.717 174.700 0.138 0.000 1.053 1074 T CA 1.503 63.730 62.100 0.210 0.000 1.165 1074 T CB -0.708 68.323 68.868 0.272 0.000 0.863 1074 T HN 0.248 nan 8.240 nan 0.000 0.427 1075 L N 0.301 121.610 121.223 0.143 0.000 2.012 1075 L HA -0.190 4.142 4.340 -0.014 0.000 0.210 1075 L C 2.679 179.593 176.870 0.072 0.000 1.073 1075 L CA 1.701 56.602 54.840 0.101 0.000 0.748 1075 L CB -0.801 41.337 42.059 0.131 0.000 0.891 1075 L HN 0.274 nan 8.230 nan 0.000 0.431 1076 T N 0.386 115.002 114.554 0.103 0.000 2.624 1076 T HA -0.266 4.076 4.350 -0.014 0.000 0.268 1076 T C 1.833 176.595 174.700 0.103 0.000 1.041 1076 T CA 2.106 64.271 62.100 0.109 0.000 1.159 1076 T CB -0.387 68.581 68.868 0.166 0.000 0.863 1076 T HN 0.311 nan 8.240 nan 0.000 0.434 1077 L N 0.878 122.164 121.223 0.105 0.000 2.079 1077 L HA -0.147 4.185 4.340 -0.014 0.000 0.210 1077 L C 2.985 179.845 176.870 -0.016 0.000 1.081 1077 L CA 1.121 55.980 54.840 0.031 0.000 0.752 1077 L CB -0.631 41.414 42.059 -0.023 0.000 0.896 1077 L HN 0.269 nan 8.230 nan 0.000 0.433 1078 Q N -0.255 119.533 119.800 -0.020 0.000 2.170 1078 Q HA -0.167 4.165 4.340 -0.014 0.000 0.203 1078 Q C 2.433 178.398 176.000 -0.058 0.000 0.976 1078 Q CA 1.929 57.698 55.803 -0.058 0.000 0.858 1078 Q CB -0.487 28.210 28.738 -0.067 0.000 0.907 1078 Q HN 0.625 nan 8.270 nan 0.000 0.433 1079 V N -1.712 118.184 119.914 -0.029 0.000 2.591 1079 V HA -0.128 3.984 4.120 -0.014 0.000 0.249 1079 V C 2.071 178.149 176.094 -0.027 0.000 1.053 1079 V CA 0.885 63.166 62.300 -0.030 0.000 1.068 1079 V CB -0.508 31.307 31.823 -0.015 0.000 0.689 1079 V HN 0.158 nan 8.190 nan 0.000 0.462 1080 I N 1.472 122.037 120.570 -0.008 0.000 2.142 1080 I HA -0.167 3.995 4.170 -0.014 0.000 0.240 1080 I C 3.042 179.138 176.117 -0.036 0.000 1.078 1080 I CA 1.848 63.144 61.300 -0.007 0.000 1.343 1080 I CB -0.840 37.173 38.000 0.022 0.000 1.046 1080 I HN 0.405 nan 8.210 nan 0.000 0.405 1081 A N 0.911 123.699 122.820 -0.054 0.000 1.873 1081 A HA -0.287 4.024 4.320 -0.014 0.000 0.218 1081 A C 2.565 180.100 177.584 -0.082 0.000 1.193 1081 A CA 2.428 54.419 52.037 -0.075 0.000 0.629 1081 A CB -1.159 17.784 19.000 -0.095 0.000 0.826 1081 A HN 0.460 nan 8.150 nan 0.000 0.447 1082 A N -0.355 122.411 122.820 -0.090 0.000 1.892 1082 A HA 0.058 4.369 4.320 -0.014 0.000 0.218 1082 A C 2.536 180.075 177.584 -0.075 0.000 1.188 1082 A CA 2.642 54.619 52.037 -0.100 0.000 0.631 1082 A CB -1.141 17.797 19.000 -0.103 0.000 0.822 1082 A HN 1.247 nan 8.150 nan 0.000 0.447 1083 A N -1.240 121.547 122.820 -0.055 0.000 1.969 1083 A HA -0.164 4.148 4.320 -0.014 0.000 0.218 1083 A C 2.101 179.661 177.584 -0.040 0.000 1.169 1083 A CA 1.558 53.570 52.037 -0.041 0.000 0.635 1083 A CB -0.460 18.522 19.000 -0.030 0.000 0.810 1083 A HN 0.671 nan 8.150 nan 0.000 0.445 1084 Q N -1.318 118.456 119.800 -0.043 0.000 2.172 1084 Q HA -0.085 4.247 4.340 -0.014 0.000 0.200 1084 Q C 2.236 178.209 176.000 -0.046 0.000 0.964 1084 Q CA 1.057 56.836 55.803 -0.040 0.000 0.855 1084 Q CB -0.054 28.659 28.738 -0.041 0.000 0.918 1084 Q HN 0.540 nan 8.270 nan 0.000 0.444 1085 R N 1.121 121.586 120.500 -0.058 0.000 2.152 1085 R HA -0.120 4.211 4.340 -0.014 0.000 0.232 1085 R C 0.972 177.240 176.300 -0.053 0.000 1.117 1085 R CA 1.207 57.269 56.100 -0.063 0.000 0.981 1085 R CB 0.213 30.462 30.300 -0.085 0.000 0.870 1085 R HN 0.275 nan 8.270 nan 0.000 0.451 1086 E N -1.609 118.562 120.200 -0.048 0.000 2.479 1086 E HA 0.191 4.533 4.350 -0.014 0.000 0.193 1086 E C 0.419 177.000 176.600 -0.030 0.000 1.049 1086 E CA 0.388 56.765 56.400 -0.038 0.000 0.870 1086 E CB 0.813 30.491 29.700 -0.037 0.000 0.944 1086 E HN 0.407 nan 8.360 nan 0.000 0.492 1087 G N 2.162 110.944 108.800 -0.031 0.000 2.171 1087 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.238 1087 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.238 1087 G C -0.126 174.762 174.900 -0.020 0.000 1.039 1087 G CA -0.106 44.980 45.100 -0.024 0.000 0.759 1087 G HN 0.123 nan 8.290 nan 0.000 0.501 1088 K N 0.406 120.793 120.400 -0.022 0.000 2.118 1088 K HA 0.530 4.842 4.320 -0.014 0.000 0.267 1088 K C 0.294 176.885 176.600 -0.016 0.000 0.991 1088 K CA -0.315 55.962 56.287 -0.018 0.000 0.916 1088 K CB 0.938 33.427 32.500 -0.019 0.000 1.041 1088 K HN 0.115 nan 8.250 nan 0.000 0.455 1089 T N 1.814 116.360 114.554 -0.013 0.000 2.780 1089 T HA 0.233 4.574 4.350 -0.014 0.000 0.294 1089 T C -0.164 174.531 174.700 -0.009 0.000 0.949 1089 T CA -0.518 61.576 62.100 -0.010 0.000 1.074 1089 T CB 0.092 68.955 68.868 -0.008 0.000 0.910 1089 T HN 0.517 nan 8.240 nan 0.000 0.501 1090 C N 2.400 121.697 119.300 -0.004 0.000 2.562 1090 C HA 0.979 5.431 4.460 -0.014 0.000 0.332 1090 C C 0.433 175.433 174.990 0.017 0.000 1.201 1090 C CA -0.926 58.096 59.018 0.005 0.000 1.803 1090 C CB 0.903 28.652 27.740 0.015 0.000 2.328 1090 C HN 1.048 nan 8.230 nan 0.000 0.500 1091 A N 1.040 123.873 122.820 0.022 0.000 2.475 1091 A HA 0.873 5.184 4.320 -0.014 0.000 0.301 1091 A C -1.511 176.119 177.584 0.078 0.000 1.059 1091 A CA -0.253 51.806 52.037 0.036 0.000 0.710 1091 A CB 1.125 20.118 19.000 -0.010 0.000 1.288 1091 A HN 0.816 nan 8.150 nan 0.000 0.408 1092 F N 2.615 122.523 119.950 -0.069 0.000 2.529 1092 F HA 0.646 5.165 4.527 -0.014 0.000 0.320 1092 F C -0.881 174.868 175.800 -0.085 0.000 1.118 1092 F CA -0.871 57.084 58.000 -0.075 0.000 0.915 1092 F CB 1.627 40.593 39.000 -0.057 0.000 1.161 1092 F HN 0.370 nan 8.300 nan 0.000 0.445 1093 I N 4.660 124.977 120.570 -0.422 0.000 2.412 1093 I HA 0.140 4.302 4.170 -0.014 0.000 0.279 1093 I C -0.310 175.636 176.117 -0.285 0.000 1.063 1093 I CA -0.435 60.707 61.300 -0.262 0.000 1.193 1093 I CB 0.549 38.394 38.000 -0.259 0.000 1.370 1093 I HN 0.516 nan 8.210 nan 0.000 0.479 1094 D N 4.858 125.242 120.400 -0.027 0.000 2.801 1094 D HA 0.314 4.946 4.640 -0.014 0.000 0.232 1094 D C 1.411 177.636 176.300 -0.124 0.000 1.128 1094 D CA 0.039 54.076 54.000 0.062 0.000 1.003 1094 D CB 0.712 41.640 40.800 0.213 0.000 1.110 1094 D HN 0.588 nan 8.370 nan 0.000 0.477 1095 A N 1.689 124.456 122.820 -0.087 0.000 2.019 1095 A HA -0.152 4.160 4.320 -0.014 0.000 0.219 1095 A C 1.959 179.654 177.584 0.184 0.000 1.164 1095 A CA 0.888 52.932 52.037 0.011 0.000 0.644 1095 A CB -0.270 18.743 19.000 0.021 0.000 0.805 1095 A HN 0.504 nan 8.150 nan 0.000 0.449 1096 E N -1.072 119.190 120.200 0.103 0.000 2.418 1096 E HA -0.115 4.227 4.350 -0.014 0.000 0.197 1096 E C -0.488 176.266 176.600 0.257 0.000 1.026 1096 E CA 0.102 56.576 56.400 0.124 0.000 0.862 1096 E CB -0.187 29.522 29.700 0.015 0.000 0.799 1096 E HN 0.693 nan 8.360 nan 0.000 0.518 1097 H N -2.101 117.025 119.070 0.094 0.000 2.677 1097 H HA -0.217 4.330 4.556 -0.014 0.000 0.321 1097 H C 0.131 175.510 175.328 0.085 0.000 1.171 1097 H CA 0.509 56.614 56.048 0.094 0.000 1.139 1097 H CB -1.237 28.581 29.762 0.093 0.000 1.515 1097 H HN 0.291 nan 8.280 nan 0.000 0.423 1098 A N 0.394 123.302 122.820 0.146 0.000 2.664 1098 A HA 0.175 4.487 4.320 -0.014 0.000 0.222 1098 A C 0.590 178.213 177.584 0.064 0.000 1.320 1098 A CA -0.241 51.858 52.037 0.104 0.000 1.029 1098 A CB 0.686 19.741 19.000 0.093 0.000 1.318 1098 A HN 0.171 nan 8.150 nan 0.000 0.589 1099 L N 1.612 122.872 121.223 0.062 0.000 2.513 1099 L HA 0.383 4.714 4.340 -0.014 0.000 0.272 1099 L C -0.517 176.337 176.870 -0.027 0.000 1.187 1099 L CA 0.263 55.095 54.840 -0.013 0.000 0.895 1099 L CB 0.320 42.299 42.059 -0.134 0.000 1.147 1099 L HN 0.208 nan 8.230 nan 0.000 0.483 1100 D N 7.445 127.839 120.400 -0.010 0.000 2.359 1100 D HA 0.305 4.936 4.640 -0.014 0.000 0.230 1100 D C -1.751 174.555 176.300 0.011 0.000 1.118 1100 D CA -2.281 51.726 54.000 0.012 0.000 0.844 1100 D CB 1.493 42.310 40.800 0.030 0.000 1.059 1100 D HN 0.384 nan 8.370 nan 0.000 0.493 1101 P HA -0.178 nan 4.420 nan 0.000 0.215 1101 P C 1.612 178.904 177.300 -0.013 0.000 1.157 1101 P CA 0.885 63.962 63.100 -0.039 0.000 0.874 1101 P CB 0.429 32.109 31.700 -0.033 0.000 0.790 1102 I N -1.527 119.055 120.570 0.019 0.000 2.163 1102 I HA -0.253 3.908 4.170 -0.014 0.000 0.243 1102 I C 2.780 178.931 176.117 0.057 0.000 1.085 1102 I CA 1.513 62.831 61.300 0.031 0.000 1.347 1102 I CB -1.369 36.656 38.000 0.042 0.000 1.044 1102 I HN -0.138 nan 8.210 nan 0.000 0.408 1103 Y N 1.348 121.627 120.300 -0.034 0.000 2.242 1103 Y HA -0.200 4.341 4.550 -0.014 0.000 0.291 1103 Y C 2.480 178.356 175.900 -0.040 0.000 1.137 1103 Y CA 1.159 59.243 58.100 -0.026 0.000 1.181 1103 Y CB -0.445 38.003 38.460 -0.020 0.000 0.989 1103 Y HN 0.119 nan 8.280 nan 0.000 0.527 1104 A N 0.651 123.448 122.820 -0.038 0.000 1.908 1104 A HA -0.227 4.084 4.320 -0.014 0.000 0.218 1104 A C 2.426 179.910 177.584 -0.166 0.000 1.181 1104 A CA 1.851 53.802 52.037 -0.144 0.000 0.627 1104 A CB -0.775 18.138 19.000 -0.145 0.000 0.818 1104 A HN 0.496 nan 8.150 nan 0.000 0.445 1105 R N -0.045 120.384 120.500 -0.117 0.000 2.092 1105 R HA -0.094 4.238 4.340 -0.014 0.000 0.231 1105 R C 1.932 178.158 176.300 -0.123 0.000 1.119 1105 R CA 1.601 57.640 56.100 -0.102 0.000 0.970 1105 R CB -0.257 30.005 30.300 -0.063 0.000 0.864 1105 R HN 0.531 nan 8.270 nan 0.000 0.440 1106 K N 0.345 120.655 120.400 -0.150 0.000 2.209 1106 K HA -0.096 4.216 4.320 -0.014 0.000 0.204 1106 K C 1.940 178.402 176.600 -0.229 0.000 1.048 1106 K CA 1.008 57.195 56.287 -0.166 0.000 0.940 1106 K CB -0.031 32.373 32.500 -0.160 0.000 0.729 1106 K HN 0.261 nan 8.250 nan 0.000 0.451 1107 L N -0.497 120.532 121.223 -0.322 0.000 2.478 1107 L HA 0.033 4.364 4.340 -0.014 0.000 0.223 1107 L C 1.019 177.783 176.870 -0.176 0.000 1.140 1107 L CA 0.544 55.215 54.840 -0.281 0.000 0.842 1107 L CB -0.055 41.803 42.059 -0.335 0.000 0.953 1107 L HN 0.445 nan 8.230 nan 0.000 0.452 1108 G N 0.238 108.948 108.800 -0.149 0.000 2.145 1108 G HA2 -0.191 3.761 3.960 -0.014 0.000 0.176 1108 G HA3 -0.191 3.761 3.960 -0.014 0.000 0.176 1108 G C -0.073 174.765 174.900 -0.102 0.000 1.013 1108 G CA -0.240 44.792 45.100 -0.113 0.000 0.689 1108 G HN 0.041 nan 8.290 nan 0.000 0.506 1109 V N 0.610 120.460 119.914 -0.107 0.000 2.607 1109 V HA 0.468 4.579 4.120 -0.014 0.000 0.289 1109 V C 0.533 176.581 176.094 -0.077 0.000 1.053 1109 V CA -0.446 61.799 62.300 -0.092 0.000 0.996 1109 V CB 1.821 33.580 31.823 -0.106 0.000 0.995 1109 V HN 0.342 nan 8.190 nan 0.000 0.476 1110 D N 3.626 123.988 120.400 -0.063 0.000 2.402 1110 D HA 0.138 4.769 4.640 -0.014 0.000 0.235 1110 D C 1.054 177.324 176.300 -0.050 0.000 1.226 1110 D CA -0.272 53.698 54.000 -0.051 0.000 0.918 1110 D CB 0.545 41.320 40.800 -0.042 0.000 1.043 1110 D HN 0.286 nan 8.370 nan 0.000 0.506 1111 I N 2.643 123.181 120.570 -0.053 0.000 2.226 1111 I HA -0.214 3.947 4.170 -0.014 0.000 0.245 1111 I C 1.384 177.479 176.117 -0.038 0.000 1.100 1111 I CA 0.925 62.193 61.300 -0.053 0.000 1.374 1111 I CB -0.718 37.252 38.000 -0.051 0.000 1.057 1111 I HN 0.344 nan 8.210 nan 0.000 0.413 1112 D N 0.598 120.980 120.400 -0.031 0.000 2.263 1112 D HA -0.129 4.502 4.640 -0.014 0.000 0.208 1112 D C 1.731 178.020 176.300 -0.018 0.000 0.971 1112 D CA 0.929 54.916 54.000 -0.022 0.000 0.867 1112 D CB -0.246 40.542 40.800 -0.019 0.000 0.929 1112 D HN 0.436 nan 8.370 nan 0.000 0.492 1113 N N -0.210 118.478 118.700 -0.021 0.000 2.197 1113 N HA 0.028 4.760 4.740 -0.014 0.000 0.201 1113 N C 0.044 175.546 175.510 -0.013 0.000 1.148 1113 N CA -0.178 52.862 53.050 -0.016 0.000 0.883 1113 N CB 1.374 39.850 38.487 -0.018 0.000 1.012 1113 N HN 0.135 nan 8.380 nan 0.000 0.507 1114 L N 3.210 124.422 121.223 -0.019 0.000 2.385 1114 L HA 0.264 4.595 4.340 -0.014 0.000 0.281 1114 L C -0.145 176.726 176.870 0.002 0.000 1.106 1114 L CA 0.066 54.900 54.840 -0.010 0.000 0.856 1114 L CB 0.120 42.160 42.059 -0.031 0.000 1.186 1114 L HN 0.010 nan 8.230 nan 0.000 0.453 1115 L N 5.384 126.617 121.223 0.016 0.000 2.456 1115 L HA 0.139 4.470 4.340 -0.014 0.000 0.272 1115 L C 0.102 177.001 176.870 0.048 0.000 1.189 1115 L CA 0.139 54.992 54.840 0.022 0.000 0.846 1115 L CB 1.053 43.121 42.059 0.016 0.000 1.111 1115 L HN 0.741 nan 8.230 nan 0.000 0.475 1116 C N 2.770 122.096 119.300 0.042 0.000 2.891 1116 C HA 0.677 5.128 4.460 -0.014 0.000 0.342 1116 C C -0.510 174.503 174.990 0.038 0.000 1.126 1116 C CA -0.425 58.636 59.018 0.070 0.000 1.322 1116 C CB 1.617 29.386 27.740 0.048 0.000 1.763 1116 C HN 0.822 nan 8.230 nan 0.000 0.491 1117 S N 3.658 119.378 115.700 0.034 0.000 2.575 1117 S HA 0.559 5.020 4.470 -0.014 0.000 0.278 1117 S C -1.400 173.167 174.600 -0.055 0.000 1.139 1117 S CA -0.291 57.901 58.200 -0.014 0.000 0.954 1117 S CB 1.480 64.658 63.200 -0.036 0.000 1.054 1117 S HN 0.860 nan 8.310 nan 0.000 0.483 1118 Q N 4.776 124.522 119.800 -0.090 0.000 2.466 1118 Q HA 0.359 4.690 4.340 -0.014 0.000 0.242 1118 Q C -2.292 173.645 176.000 -0.103 0.000 1.046 1118 Q CA -1.907 53.755 55.803 -0.234 0.000 0.841 1118 Q CB 1.329 29.856 28.738 -0.352 0.000 1.193 1118 Q HN 0.503 nan 8.270 nan 0.000 0.508 1119 P HA 0.108 nan 4.420 nan 0.000 0.276 1119 P C -0.386 176.965 177.300 0.085 0.000 1.252 1119 P CA -0.248 62.831 63.100 -0.035 0.000 0.802 1119 P CB 1.429 33.064 31.700 -0.108 0.000 1.035 1120 D N -0.950 119.483 120.400 0.054 0.000 2.269 1120 D HA -0.002 4.629 4.640 -0.014 0.000 0.220 1120 D C 1.008 177.339 176.300 0.053 0.000 0.962 1120 D CA 1.431 55.482 54.000 0.085 0.000 0.884 1120 D CB -0.320 40.527 40.800 0.079 0.000 1.023 1120 D HN 0.507 nan 8.370 nan 0.000 0.484 1121 T N -2.693 111.870 114.554 0.014 0.000 2.948 1121 T HA 0.534 4.875 4.350 -0.014 0.000 0.285 1121 T C 1.394 176.077 174.700 -0.028 0.000 1.019 1121 T CA -0.285 61.815 62.100 0.000 0.000 1.013 1121 T CB 1.916 70.789 68.868 0.009 0.000 1.117 1121 T HN -0.027 nan 8.240 nan 0.000 0.533 1122 G N 0.162 108.950 108.800 -0.021 0.000 2.402 1122 G HA2 -0.080 3.871 3.960 -0.014 0.000 0.216 1122 G HA3 -0.080 3.871 3.960 -0.014 0.000 0.216 1122 G C 1.160 176.032 174.900 -0.047 0.000 1.162 1122 G CA 0.569 45.653 45.100 -0.026 0.000 0.777 1122 G HN 0.799 nan 8.290 nan 0.000 0.539 1123 E N 0.065 120.241 120.200 -0.040 0.000 2.085 1123 E HA -0.150 4.191 4.350 -0.014 0.000 0.194 1123 E C 2.389 178.931 176.600 -0.096 0.000 0.994 1123 E CA 1.305 57.687 56.400 -0.030 0.000 0.801 1123 E CB -0.221 29.488 29.700 0.015 0.000 0.743 1123 E HN 0.649 nan 8.360 nan 0.000 0.453 1124 Q N 0.317 120.000 119.800 -0.195 0.000 2.030 1124 Q HA -0.239 4.093 4.340 -0.014 0.000 0.204 1124 Q C 2.178 177.874 176.000 -0.506 0.000 0.986 1124 Q CA 1.805 57.240 55.803 -0.613 0.000 0.843 1124 Q CB -0.258 28.137 28.738 -0.570 0.000 0.904 1124 Q HN 0.303 nan 8.270 nan 0.000 0.420 1125 A N 0.717 123.376 122.820 -0.268 0.000 1.892 1125 A HA -0.215 4.097 4.320 -0.014 0.000 0.218 1125 A C 2.072 179.572 177.584 -0.140 0.000 1.188 1125 A CA 1.798 53.725 52.037 -0.182 0.000 0.631 1125 A CB -0.848 18.093 19.000 -0.100 0.000 0.822 1125 A HN 0.475 nan 8.150 nan 0.000 0.447 1126 L N -1.202 119.967 121.223 -0.089 0.000 2.072 1126 L HA -0.100 4.232 4.340 -0.014 0.000 0.205 1126 L C 2.636 179.484 176.870 -0.036 0.000 1.079 1126 L CA 1.052 55.874 54.840 -0.030 0.000 0.752 1126 L CB -0.520 41.542 42.059 0.005 0.000 0.906 1126 L HN 0.274 nan 8.230 nan 0.000 0.436 1127 E N 0.516 120.685 120.200 -0.053 0.000 2.118 1127 E HA -0.213 4.128 4.350 -0.014 0.000 0.195 1127 E C 2.281 178.884 176.600 0.006 0.000 0.992 1127 E CA 1.343 57.753 56.400 0.016 0.000 0.804 1127 E CB -0.182 29.595 29.700 0.129 0.000 0.741 1127 E HN 0.490 nan 8.360 nan 0.000 0.458 1128 I N 0.224 120.730 120.570 -0.106 0.000 2.163 1128 I HA -0.361 3.800 4.170 -0.014 0.000 0.243 1128 I C 2.600 178.692 176.117 -0.042 0.000 1.085 1128 I CA 0.917 62.173 61.300 -0.072 0.000 1.347 1128 I CB -0.294 37.617 38.000 -0.148 0.000 1.044 1128 I HN 0.147 nan 8.210 nan 0.000 0.408 1129 C N 0.359 119.621 119.300 -0.063 0.000 2.393 1129 C HA -0.248 4.203 4.460 -0.014 0.000 0.276 1129 C C 2.596 177.570 174.990 -0.028 0.000 1.215 1129 C CA 1.378 60.360 59.018 -0.060 0.000 1.743 1129 C CB -1.058 26.640 27.740 -0.070 0.000 2.044 1129 C HN 0.546 nan 8.230 nan 0.000 0.464 1130 D N 0.303 120.698 120.400 -0.007 0.000 2.149 1130 D HA -0.104 4.528 4.640 -0.014 0.000 0.198 1130 D C 2.144 178.453 176.300 0.015 0.000 0.990 1130 D CA 1.627 55.632 54.000 0.007 0.000 0.839 1130 D CB -0.191 40.622 40.800 0.022 0.000 0.948 1130 D HN 0.460 nan 8.370 nan 0.000 0.460 1131 A N -0.080 122.757 122.820 0.027 0.000 1.873 1131 A HA -0.079 4.232 4.320 -0.014 0.000 0.215 1131 A C 2.406 180.000 177.584 0.017 0.000 1.186 1131 A CA 0.994 53.052 52.037 0.034 0.000 0.616 1131 A CB -0.775 18.262 19.000 0.061 0.000 0.823 1131 A HN 0.326 nan 8.150 nan 0.000 0.442 1132 L N -0.814 120.412 121.223 0.004 0.000 2.141 1132 L HA -0.150 4.182 4.340 -0.014 0.000 0.209 1132 L C 3.038 179.901 176.870 -0.011 0.000 1.094 1132 L CA 0.802 55.638 54.840 -0.007 0.000 0.763 1132 L CB -0.600 41.446 42.059 -0.021 0.000 0.908 1132 L HN 0.460 nan 8.230 nan 0.000 0.437 1133 A N 0.306 123.117 122.820 -0.015 0.000 1.832 1133 A HA -0.201 4.111 4.320 -0.014 0.000 0.214 1133 A C 2.396 179.977 177.584 -0.006 0.000 1.200 1133 A CA 1.385 53.413 52.037 -0.015 0.000 0.610 1133 A CB -0.565 18.424 19.000 -0.019 0.000 0.842 1133 A HN 0.241 nan 8.150 nan 0.000 0.444 1134 R N 0.178 120.678 120.500 -0.000 0.000 2.139 1134 R HA -0.159 4.173 4.340 -0.014 0.000 0.243 1134 R C 2.596 178.901 176.300 0.008 0.000 1.145 1134 R CA 1.694 57.797 56.100 0.006 0.000 0.976 1134 R CB -0.406 29.900 30.300 0.011 0.000 0.866 1134 R HN 0.769 nan 8.270 nan 0.000 0.449 1135 S N -0.803 114.901 115.700 0.008 0.000 2.400 1135 S HA -0.097 4.365 4.470 -0.014 0.000 0.232 1135 S C 1.659 176.262 174.600 0.006 0.000 1.025 1135 S CA 1.173 59.378 58.200 0.008 0.000 0.993 1135 S CB -0.330 62.875 63.200 0.008 0.000 0.808 1135 S HN 0.541 nan 8.310 nan 0.000 0.478 1136 G N 0.606 109.408 108.800 0.003 0.000 2.166 1136 G HA2 -0.207 3.744 3.960 -0.014 0.000 0.260 1136 G HA3 -0.207 3.744 3.960 -0.014 0.000 0.260 1136 G C 0.808 175.709 174.900 0.002 0.000 0.986 1136 G CA 0.513 45.615 45.100 0.003 0.000 0.683 1136 G HN 1.319 nan 8.290 nan 0.000 0.527 1137 A N -1.110 121.710 122.820 0.000 0.000 1.956 1137 A HA 0.636 4.947 4.320 -0.014 0.000 0.212 1137 A C 1.275 178.857 177.584 -0.004 0.000 1.188 1137 A CA 1.409 53.446 52.037 -0.000 0.000 0.675 1137 A CB 0.343 19.343 19.000 0.001 0.000 0.845 1137 A HN 1.001 nan 8.150 nan 0.000 0.455 1138 V N 1.370 121.280 119.914 -0.007 0.000 2.607 1138 V HA 0.167 4.278 4.120 -0.014 0.000 0.289 1138 V C 0.305 176.390 176.094 -0.014 0.000 1.053 1138 V CA -0.245 62.047 62.300 -0.012 0.000 0.996 1138 V CB 1.419 33.232 31.823 -0.017 0.000 0.995 1138 V HN 0.445 nan 8.190 nan 0.000 0.476 1139 D N 1.685 122.076 120.400 -0.015 0.000 2.394 1139 D HA 0.112 4.743 4.640 -0.014 0.000 0.226 1139 D C 0.185 176.471 176.300 -0.022 0.000 0.990 1139 D CA 1.000 54.990 54.000 -0.016 0.000 0.902 1139 D CB 1.602 42.394 40.800 -0.013 0.000 1.038 1139 D HN 0.367 nan 8.370 nan 0.000 0.499 1140 V N 1.399 121.297 119.914 -0.026 0.000 2.623 1140 V HA 0.450 4.561 4.120 -0.014 0.000 0.304 1140 V C -1.652 174.412 176.094 -0.050 0.000 1.054 1140 V CA -0.648 61.630 62.300 -0.037 0.000 0.882 1140 V CB 1.858 33.664 31.823 -0.027 0.000 1.002 1140 V HN -0.106 nan 8.190 nan 0.000 0.424 1141 I N 6.827 127.342 120.570 -0.091 0.000 2.465 1141 I HA 0.661 4.822 4.170 -0.014 0.000 0.291 1141 I C -0.581 175.403 176.117 -0.221 0.000 1.014 1141 I CA -1.022 60.194 61.300 -0.139 0.000 1.093 1141 I CB 2.044 39.945 38.000 -0.164 0.000 1.267 1141 I HN 0.562 nan 8.210 nan 0.000 0.431 1142 V N 7.132 126.887 119.914 -0.265 0.000 2.540 1142 V HA 0.608 4.719 4.120 -0.014 0.000 0.302 1142 V C -0.986 174.744 176.094 -0.607 0.000 1.035 1142 V CA -0.375 61.686 62.300 -0.398 0.000 0.873 1142 V CB 2.120 33.779 31.823 -0.273 0.000 0.992 1142 V HN 0.436 nan 8.190 nan 0.000 0.428 1143 V N 5.538 125.105 119.914 -0.577 0.000 2.347 1143 V HA 0.424 4.536 4.120 -0.014 0.000 0.280 1143 V C -0.283 175.594 176.094 -0.361 0.000 1.021 1143 V CA -0.390 61.620 62.300 -0.484 0.000 0.847 1143 V CB 1.370 32.945 31.823 -0.413 0.000 0.990 1143 V HN 0.969 nan 8.190 nan 0.000 0.444 1144 D N 3.503 123.655 120.400 -0.413 0.000 2.365 1144 D HA 0.346 4.977 4.640 -0.014 0.000 0.237 1144 D C 0.024 176.276 176.300 -0.080 0.000 1.190 1144 D CA 0.661 54.535 54.000 -0.209 0.000 0.867 1144 D CB 0.630 41.362 40.800 -0.112 0.000 1.050 1144 D HN 0.644 nan 8.370 nan 0.000 0.491 1145 S N 1.235 116.913 115.700 -0.037 0.000 3.392 1145 S HA -0.147 4.314 4.470 -0.014 0.000 0.693 1145 S C 1.203 175.808 174.600 0.008 0.000 0.620 1145 S CA 0.349 58.529 58.200 -0.033 0.000 1.452 1145 S CB -1.029 62.109 63.200 -0.103 0.000 0.988 1145 S HN 0.537 nan 8.310 nan 0.000 0.932 1146 V N 2.336 122.275 119.914 0.043 0.000 2.594 1146 V HA -0.046 4.065 4.120 -0.014 0.000 0.253 1146 V C 2.355 178.445 176.094 -0.007 0.000 1.069 1146 V CA 2.377 64.698 62.300 0.035 0.000 1.082 1146 V CB -1.154 30.653 31.823 -0.027 0.000 0.680 1146 V HN 1.456 nan 8.190 nan 0.000 0.469 1147 A N 0.901 123.699 122.820 -0.037 0.000 1.958 1147 A HA -0.110 4.202 4.320 -0.014 0.000 0.221 1147 A C 2.359 179.986 177.584 0.071 0.000 1.178 1147 A CA 2.649 54.670 52.037 -0.025 0.000 0.642 1147 A CB -1.090 17.840 19.000 -0.117 0.000 0.816 1147 A HN 1.296 nan 8.150 nan 0.000 0.453 1148 A N -1.673 121.187 122.820 0.066 0.000 2.251 1148 A HA 0.449 4.760 4.320 -0.014 0.000 0.209 1148 A C 0.553 178.200 177.584 0.105 0.000 1.187 1148 A CA -0.068 52.059 52.037 0.151 0.000 0.823 1148 A CB -0.197 18.883 19.000 0.133 0.000 0.846 1148 A HN 0.284 nan 8.150 nan 0.000 0.486 1149 L N 2.336 123.593 121.223 0.057 0.000 2.376 1149 L HA 0.143 4.474 4.340 -0.014 0.000 0.250 1149 L C 0.181 177.061 176.870 0.016 0.000 1.335 1149 L CA 0.545 55.404 54.840 0.033 0.000 1.214 1149 L CB -1.031 41.040 42.059 0.021 0.000 1.395 1149 L HN 0.099 nan 8.230 nan 0.000 0.424 1150 T N 2.994 117.563 114.554 0.026 0.000 2.799 1150 T HA 0.189 4.531 4.350 -0.014 0.000 0.296 1150 T C -2.157 172.524 174.700 -0.031 0.000 0.947 1150 T CA -0.992 61.107 62.100 -0.001 0.000 1.141 1150 T CB 0.343 69.215 68.868 0.007 0.000 0.891 1150 T HN 0.171 nan 8.240 nan 0.000 0.533 1151 P HA 0.092 nan 4.420 nan 0.000 0.268 1151 P C 0.990 178.232 177.300 -0.097 0.000 1.208 1151 P CA -0.436 62.613 63.100 -0.085 0.000 0.777 1151 P CB 0.737 32.362 31.700 -0.125 0.000 0.875 1152 K N 2.357 122.716 120.400 -0.068 0.000 2.009 1152 K HA -0.231 4.080 4.320 -0.014 0.000 0.210 1152 K C 1.819 178.372 176.600 -0.079 0.000 1.049 1152 K CA 2.001 58.261 56.287 -0.045 0.000 0.929 1152 K CB -0.713 31.780 32.500 -0.013 0.000 0.714 1152 K HN 0.471 nan 8.250 nan 0.000 0.440 1153 A N 0.910 123.655 122.820 -0.126 0.000 2.019 1153 A HA -0.222 4.089 4.320 -0.014 0.000 0.219 1153 A C 1.935 179.350 177.584 -0.281 0.000 1.164 1153 A CA 1.900 53.846 52.037 -0.153 0.000 0.644 1153 A CB -0.483 18.431 19.000 -0.143 0.000 0.805 1153 A HN 0.597 nan 8.150 nan 0.000 0.449 1154 E N -0.174 119.756 120.200 -0.450 0.000 2.072 1154 E HA -0.116 4.225 4.350 -0.014 0.000 0.190 1154 E C 1.755 178.310 176.600 -0.075 0.000 0.982 1154 E CA 1.179 57.336 56.400 -0.404 0.000 0.803 1154 E CB -0.204 29.300 29.700 -0.326 0.000 0.755 1154 E HN 0.677 nan 8.360 nan 0.000 0.453 1155 I N 0.911 121.443 120.570 -0.063 0.000 2.286 1155 I HA -0.194 3.968 4.170 -0.014 0.000 0.245 1155 I C 2.215 178.337 176.117 0.008 0.000 1.104 1155 I CA 1.069 62.361 61.300 -0.013 0.000 1.397 1155 I CB -0.235 37.759 38.000 -0.010 0.000 1.072 1155 I HN 0.107 nan 8.210 nan 0.000 0.417 1156 E N 1.070 121.270 120.200 0.001 0.000 2.150 1156 E HA -0.046 4.296 4.350 -0.014 0.000 0.193 1156 E C 1.431 178.058 176.600 0.045 0.000 0.985 1156 E CA 0.623 57.035 56.400 0.020 0.000 0.814 1156 E CB -0.158 29.550 29.700 0.013 0.000 0.752 1156 E HN 0.525 nan 8.360 nan 0.000 0.466 1157 G N 0.885 109.730 108.800 0.075 0.000 2.621 1157 G HA2 0.091 4.042 3.960 -0.014 0.000 0.271 1157 G HA3 0.091 4.042 3.960 -0.014 0.000 0.271 1157 G C -0.109 174.854 174.900 0.105 0.000 1.236 1157 G CA -0.509 44.668 45.100 0.128 0.000 0.958 1157 G HN -0.007 nan 8.290 nan 0.000 0.512 1158 E N -1.467 118.791 120.200 0.095 0.000 2.359 1158 E HA 0.305 4.646 4.350 -0.014 0.000 0.255 1158 E C -0.253 176.398 176.600 0.084 0.000 1.191 1158 E CA -0.513 55.936 56.400 0.081 0.000 0.952 1158 E CB 1.482 31.225 29.700 0.071 0.000 1.152 1158 E HN 0.219 nan 8.360 nan 0.000 0.496 1159 I N 0.916 121.530 120.570 0.073 0.000 2.352 1159 I HA 0.178 4.340 4.170 -0.014 0.000 0.290 1159 I C 1.070 177.211 176.117 0.041 0.000 1.036 1159 I CA 0.795 62.127 61.300 0.052 0.000 1.336 1159 I CB 0.676 38.699 38.000 0.037 0.000 1.407 1159 I HN 0.856 nan 8.210 nan 0.000 0.497 1160 G N 4.357 113.167 108.800 0.017 0.000 2.436 1160 G HA2 -0.217 3.734 3.960 -0.014 0.000 0.204 1160 G HA3 -0.217 3.734 3.960 -0.014 0.000 0.204 1160 G C 0.015 174.887 174.900 -0.047 0.000 1.026 1160 G CA -0.667 44.430 45.100 -0.006 0.000 0.658 1160 G HN 0.529 nan 8.290 nan 0.000 0.499 1161 D N 2.356 122.721 120.400 -0.058 0.000 2.502 1161 D HA 0.425 5.057 4.640 -0.014 0.000 0.249 1161 D C 0.920 176.991 176.300 -0.382 0.000 1.188 1161 D CA 1.135 55.023 54.000 -0.187 0.000 0.890 1161 D CB 0.968 41.690 40.800 -0.131 0.000 1.140 1161 D HN 0.634 nan 8.370 nan 0.000 0.505 1162 S N 3.083 118.566 115.700 -0.363 0.000 2.475 1162 S HA 0.292 4.753 4.470 -0.014 0.000 0.281 1162 S C -0.243 174.088 174.600 -0.449 0.000 1.198 1162 S CA -0.846 57.172 58.200 -0.304 0.000 1.063 1162 S CB 0.937 64.057 63.200 -0.133 0.000 0.972 1162 S HN 0.383 nan 8.310 nan 0.000 0.486 1163 H N 3.291 122.359 119.070 -0.004 0.000 2.539 1163 H HA 0.271 4.819 4.556 -0.014 0.000 0.247 1163 H C -0.428 174.896 175.328 -0.008 0.000 1.363 1163 H CA -0.443 55.602 56.048 -0.005 0.000 1.371 1163 H CB 0.193 29.952 29.762 -0.006 0.000 1.438 1163 H HN 0.570 nan 8.280 nan 0.000 0.523 1164 M N 0.895 120.526 119.600 0.052 0.000 2.338 1164 M HA -0.011 4.460 4.480 -0.014 0.000 0.360 1164 M C 1.293 177.614 176.300 0.035 0.000 1.547 1164 M CA 0.761 56.080 55.300 0.031 0.000 1.001 1164 M CB 0.377 32.985 32.600 0.013 0.000 2.008 1164 M HN 0.873 nan 8.290 nan 0.000 0.464 1165 G N 3.577 112.392 108.800 0.025 0.000 2.468 1165 G HA2 -0.280 3.672 3.960 -0.014 0.000 0.311 1165 G HA3 -0.280 3.672 3.960 -0.014 0.000 0.311 1165 G C 0.716 175.623 174.900 0.011 0.000 0.942 1165 G CA 0.736 45.843 45.100 0.012 0.000 0.893 1165 G HN 0.827 nan 8.290 nan 0.000 0.513 1166 L N -0.731 120.510 121.223 0.029 0.000 2.072 1166 L HA 0.196 4.528 4.340 -0.014 0.000 0.205 1166 L C 3.070 179.931 176.870 -0.015 0.000 1.079 1166 L CA 2.060 56.908 54.840 0.013 0.000 0.752 1166 L CB -0.384 41.695 42.059 0.035 0.000 0.906 1166 L HN 0.371 nan 8.230 nan 0.000 0.436 1167 A N -0.166 122.646 122.820 -0.013 0.000 1.883 1167 A HA -0.236 4.076 4.320 -0.014 0.000 0.217 1167 A C 2.404 179.966 177.584 -0.038 0.000 1.186 1167 A CA 1.925 53.944 52.037 -0.029 0.000 0.624 1167 A CB -1.022 17.965 19.000 -0.021 0.000 0.822 1167 A HN 0.547 nan 8.150 nan 0.000 0.444 1168 A N -0.682 122.119 122.820 -0.030 0.000 1.930 1168 A HA -0.113 4.198 4.320 -0.014 0.000 0.217 1168 A C 2.230 179.792 177.584 -0.036 0.000 1.175 1168 A CA 1.677 53.693 52.037 -0.035 0.000 0.627 1168 A CB -0.435 18.552 19.000 -0.021 0.000 0.815 1168 A HN 0.550 nan 8.150 nan 0.000 0.443 1169 R N -0.881 119.602 120.500 -0.029 0.000 2.115 1169 R HA -0.048 4.283 4.340 -0.014 0.000 0.230 1169 R C 2.178 178.453 176.300 -0.043 0.000 1.111 1169 R CA 1.520 57.601 56.100 -0.031 0.000 0.976 1169 R CB -0.294 29.991 30.300 -0.025 0.000 0.870 1169 R HN 0.622 nan 8.270 nan 0.000 0.445 1170 M N -0.333 119.238 119.600 -0.047 0.000 2.099 1170 M HA -0.180 4.291 4.480 -0.014 0.000 0.262 1170 M C 1.752 178.010 176.300 -0.069 0.000 1.067 1170 M CA 1.496 56.765 55.300 -0.053 0.000 1.124 1170 M CB 0.036 32.606 32.600 -0.049 0.000 1.353 1170 M HN 0.211 nan 8.290 nan 0.000 0.410 1171 M N -0.436 119.113 119.600 -0.086 0.000 2.108 1171 M HA -0.197 4.275 4.480 -0.014 0.000 0.261 1171 M C 2.368 178.580 176.300 -0.146 0.000 1.066 1171 M CA 1.588 56.808 55.300 -0.133 0.000 1.107 1171 M CB -1.357 31.153 32.600 -0.150 0.000 1.356 1171 M HN 0.347 nan 8.290 nan 0.000 0.406 1172 S N -0.280 115.361 115.700 -0.098 0.000 2.402 1172 S HA -0.171 4.290 4.470 -0.014 0.000 0.229 1172 S C 1.845 176.386 174.600 -0.098 0.000 1.021 1172 S CA 1.209 59.359 58.200 -0.083 0.000 0.974 1172 S CB -0.110 63.073 63.200 -0.029 0.000 0.800 1172 S HN 0.510 nan 8.310 nan 0.000 0.484 1173 Q N 0.195 119.951 119.800 -0.073 0.000 2.083 1173 Q HA -0.015 4.317 4.340 -0.014 0.000 0.198 1173 Q C 2.207 178.162 176.000 -0.075 0.000 0.969 1173 Q CA 1.170 56.944 55.803 -0.048 0.000 0.838 1173 Q CB -0.325 28.399 28.738 -0.023 0.000 0.900 1173 Q HN 0.575 nan 8.270 nan 0.000 0.436 1174 A N 0.966 123.728 122.820 -0.096 0.000 1.883 1174 A HA -0.219 4.093 4.320 -0.014 0.000 0.217 1174 A C 2.046 179.532 177.584 -0.164 0.000 1.186 1174 A CA 1.645 53.627 52.037 -0.092 0.000 0.624 1174 A CB -0.539 18.418 19.000 -0.072 0.000 0.822 1174 A HN 0.391 nan 8.150 nan 0.000 0.444 1175 M N -0.420 118.990 119.600 -0.318 0.000 2.073 1175 M HA -0.186 4.285 4.480 -0.014 0.000 0.258 1175 M C 2.167 178.124 176.300 -0.571 0.000 1.070 1175 M CA 1.755 56.671 55.300 -0.639 0.000 1.103 1175 M CB -1.451 30.416 32.600 -1.222 0.000 1.321 1175 M HN 0.427 nan 8.290 nan 0.000 0.405 1176 R N 0.007 120.287 120.500 -0.367 0.000 2.096 1176 R HA -0.179 4.152 4.340 -0.014 0.000 0.240 1176 R C 2.289 178.569 176.300 -0.032 0.000 1.139 1176 R CA 1.631 57.685 56.100 -0.076 0.000 0.952 1176 R CB -0.348 29.955 30.300 0.005 0.000 0.854 1176 R HN 0.453 nan 8.270 nan 0.000 0.436 1177 K N 0.317 120.688 120.400 -0.049 0.000 2.097 1177 K HA -0.068 4.243 4.320 -0.014 0.000 0.205 1177 K C 2.140 178.720 176.600 -0.034 0.000 1.050 1177 K CA 1.008 57.282 56.287 -0.022 0.000 0.938 1177 K CB -0.013 32.483 32.500 -0.006 0.000 0.718 1177 K HN 0.182 nan 8.250 nan 0.000 0.442 1178 L N 0.245 121.437 121.223 -0.051 0.000 2.095 1178 L HA -0.050 4.282 4.340 -0.014 0.000 0.204 1178 L C 2.593 179.437 176.870 -0.042 0.000 1.080 1178 L CA 0.635 55.455 54.840 -0.033 0.000 0.759 1178 L CB -0.601 41.457 42.059 -0.002 0.000 0.914 1178 L HN 0.135 nan 8.230 nan 0.000 0.439 1179 A N 0.916 123.719 122.820 -0.030 0.000 1.884 1179 A HA -0.245 4.067 4.320 -0.014 0.000 0.219 1179 A C 2.382 179.822 177.584 -0.239 0.000 1.197 1179 A CA 2.286 54.319 52.037 -0.005 0.000 0.637 1179 A CB -1.487 17.620 19.000 0.178 0.000 0.827 1179 A HN 0.448 nan 8.150 nan 0.000 0.450 1180 G N -0.732 107.866 108.800 -0.336 0.000 2.421 1180 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.216 1180 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.216 1180 G C 1.435 176.167 174.900 -0.279 0.000 1.171 1180 G CA 1.126 45.892 45.100 -0.558 0.000 0.775 1180 G HN 0.724 nan 8.290 nan 0.000 0.543 1181 N N -0.251 118.369 118.700 -0.133 0.000 2.396 1181 N HA 0.063 4.795 4.740 -0.014 0.000 0.180 1181 N C 2.103 177.582 175.510 -0.051 0.000 1.028 1181 N CA 0.151 53.162 53.050 -0.064 0.000 0.893 1181 N CB -0.046 38.422 38.487 -0.033 0.000 0.967 1181 N HN 0.248 nan 8.380 nan 0.000 0.440 1182 L N 0.297 121.484 121.223 -0.061 0.000 2.162 1182 L HA -0.036 4.296 4.340 -0.014 0.000 0.205 1182 L C 2.321 179.183 176.870 -0.013 0.000 1.086 1182 L CA 0.737 55.560 54.840 -0.028 0.000 0.778 1182 L CB -0.066 41.987 42.059 -0.009 0.000 0.928 1182 L HN 0.019 nan 8.230 nan 0.000 0.446 1183 K N 0.577 120.961 120.400 -0.028 0.000 2.031 1183 K HA -0.155 4.156 4.320 -0.014 0.000 0.205 1183 K C 2.043 178.673 176.600 0.050 0.000 1.049 1183 K CA 1.522 57.834 56.287 0.042 0.000 0.939 1183 K CB -0.170 32.415 32.500 0.143 0.000 0.717 1183 K HN 0.098 nan 8.250 nan 0.000 0.438 1184 Q N -0.402 119.417 119.800 0.031 0.000 2.437 1184 Q HA 0.030 4.361 4.340 -0.014 0.000 0.210 1184 Q C 1.067 177.084 176.000 0.027 0.000 0.972 1184 Q CA 1.348 57.178 55.803 0.045 0.000 0.903 1184 Q CB 0.216 28.981 28.738 0.046 0.000 0.967 1184 Q HN 0.223 nan 8.270 nan 0.000 0.486 1185 S N 0.008 115.716 115.700 0.014 0.000 2.524 1185 S HA 0.039 4.501 4.470 -0.014 0.000 0.215 1185 S C 0.220 174.826 174.600 0.010 0.000 0.986 1185 S CA -0.190 58.016 58.200 0.009 0.000 0.911 1185 S CB 0.300 63.500 63.200 0.000 0.000 0.805 1185 S HN 0.410 nan 8.310 nan 0.000 0.501 1186 N N 2.516 121.225 118.700 0.016 0.000 2.714 1186 N HA -0.138 4.593 4.740 -0.014 0.000 0.253 1186 N C -1.370 174.143 175.510 0.006 0.000 1.024 1186 N CA 0.736 53.795 53.050 0.016 0.000 0.726 1186 N CB -1.444 37.053 38.487 0.017 0.000 0.908 1186 N HN 0.282 nan 8.380 nan 0.000 0.542 1187 T N 1.180 115.735 114.554 0.001 0.000 2.792 1187 T HA 0.463 4.805 4.350 -0.014 0.000 0.280 1187 T C 0.180 174.871 174.700 -0.014 0.000 0.990 1187 T CA -0.718 61.375 62.100 -0.011 0.000 0.960 1187 T CB 1.745 70.601 68.868 -0.019 0.000 0.939 1187 T HN 0.281 nan 8.240 nan 0.000 0.439 1188 L N 4.252 125.463 121.223 -0.021 0.000 2.349 1188 L HA 0.613 4.944 4.340 -0.014 0.000 0.275 1188 L C -0.965 175.870 176.870 -0.058 0.000 1.115 1188 L CA -0.305 54.520 54.840 -0.025 0.000 0.820 1188 L CB 0.425 42.471 42.059 -0.021 0.000 1.135 1188 L HN 0.640 nan 8.230 nan 0.000 0.445 1189 L N 6.582 127.765 121.223 -0.066 0.000 2.372 1189 L HA 0.550 4.881 4.340 -0.014 0.000 0.274 1189 L C -1.126 175.645 176.870 -0.165 0.000 0.988 1189 L CA -0.455 54.287 54.840 -0.163 0.000 0.833 1189 L CB 1.390 43.344 42.059 -0.176 0.000 1.236 1189 L HN 0.653 nan 8.230 nan 0.000 0.410 1190 I N 4.331 124.757 120.570 -0.240 0.000 2.339 1190 I HA 0.304 4.465 4.170 -0.014 0.000 0.290 1190 I C -0.886 175.057 176.117 -0.290 0.000 0.994 1190 I CA -0.321 60.886 61.300 -0.155 0.000 1.191 1190 I CB 1.380 39.331 38.000 -0.081 0.000 1.343 1190 I HN 0.376 nan 8.210 nan 0.000 0.458 1191 F N 6.508 126.435 119.950 -0.039 0.000 2.405 1191 F HA 0.466 4.985 4.527 -0.014 0.000 0.355 1191 F C 0.430 176.215 175.800 -0.026 0.000 1.121 1191 F CA -0.434 57.537 58.000 -0.049 0.000 1.112 1191 F CB 0.937 39.917 39.000 -0.033 0.000 1.126 1191 F HN 0.219 nan 8.300 nan 0.000 0.481 1192 I N 3.505 124.139 120.570 0.107 0.000 2.395 1192 I HA 0.196 4.358 4.170 -0.014 0.000 0.289 1192 I C -0.162 176.012 176.117 0.095 0.000 1.023 1192 I CA -0.055 61.299 61.300 0.090 0.000 1.350 1192 I CB 1.039 39.066 38.000 0.044 0.000 1.409 1192 I HN 0.652 nan 8.210 nan 0.000 0.507 1193 N N 4.165 122.926 118.700 0.101 0.000 2.262 1193 N HA 0.374 5.105 4.740 -0.014 0.000 0.295 1193 N C -1.280 174.226 175.510 -0.007 0.000 1.161 1193 N CA -0.699 52.373 53.050 0.037 0.000 0.767 1193 N CB 1.769 40.285 38.487 0.047 0.000 1.499 1193 N HN 0.538 nan 8.380 nan 0.000 0.476 1194 Q N 0.942 120.625 119.800 -0.195 0.000 2.180 1194 Q HA 0.492 4.824 4.340 -0.014 0.000 0.241 1194 Q C -0.621 175.182 176.000 -0.328 0.000 0.970 1194 Q CA -0.615 54.893 55.803 -0.492 0.000 0.919 1194 Q CB 2.020 30.093 28.738 -1.108 0.000 1.222 1194 Q HN 0.475 nan 8.270 nan 0.000 0.482 1195 I N 1.543 121.944 120.570 -0.282 0.000 2.359 1195 I HA 0.347 4.508 4.170 -0.014 0.000 0.294 1195 I C -0.096 175.988 176.117 -0.054 0.000 0.987 1195 I CA -0.685 60.589 61.300 -0.043 0.000 1.225 1195 I CB 0.805 38.914 38.000 0.180 0.000 1.366 1195 I HN 0.314 nan 8.210 nan 0.000 0.466 1196 R N 4.779 125.244 120.500 -0.058 0.000 2.832 1196 R HA 0.610 4.941 4.340 -0.014 0.000 0.271 1196 R C -0.862 175.435 176.300 -0.005 0.000 0.996 1196 R CA -1.331 54.756 56.100 -0.021 0.000 0.977 1196 R CB 1.690 31.961 30.300 -0.049 0.000 1.168 1196 R HN 0.421 nan 8.270 nan 0.000 0.482 1197 M N 1.985 121.589 119.600 0.007 0.000 2.233 1197 M HA 0.244 4.716 4.480 -0.014 0.000 0.355 1197 M C -0.125 176.161 176.300 -0.023 0.000 1.191 1197 M CA -0.142 55.156 55.300 -0.004 0.000 1.101 1197 M CB 0.854 33.458 32.600 0.006 0.000 1.592 1197 M HN 0.265 nan 8.290 nan 0.000 0.461 1198 K N 5.074 125.451 120.400 -0.039 0.000 2.183 1198 K HA 0.549 4.861 4.320 -0.014 0.000 0.274 1198 K C -0.811 175.756 176.600 -0.056 0.000 1.009 1198 K CA -0.581 55.677 56.287 -0.048 0.000 0.888 1198 K CB 1.278 33.742 32.500 -0.060 0.000 1.078 1198 K HN 0.861 nan 8.250 nan 0.000 0.459 1199 I N 0.274 120.816 120.570 -0.046 0.000 2.412 1199 I HA 0.467 4.629 4.170 -0.014 0.000 0.296 1199 I C 0.317 176.404 176.117 -0.050 0.000 0.987 1199 I CA 0.278 61.552 61.300 -0.044 0.000 1.180 1199 I CB 1.288 39.273 38.000 -0.026 0.000 1.340 1199 I HN 1.004 nan 8.210 nan 0.000 0.455 1200 G N 4.718 113.483 108.800 -0.058 0.000 2.140 1200 G HA2 -0.168 3.783 3.960 -0.014 0.000 0.211 1200 G HA3 -0.168 3.783 3.960 -0.014 0.000 0.211 1200 G C -0.551 174.288 174.900 -0.102 0.000 1.013 1200 G CA 0.081 45.148 45.100 -0.055 0.000 0.705 1200 G HN 0.933 nan 8.290 nan 0.000 0.508 1201 V N 1.984 121.792 119.914 -0.177 0.000 2.483 1201 V HA 0.735 4.846 4.120 -0.014 0.000 0.297 1201 V C 1.051 176.931 176.094 -0.357 0.000 1.027 1201 V CA -0.255 61.815 62.300 -0.384 0.000 0.855 1201 V CB 1.357 32.888 31.823 -0.486 0.000 0.995 1201 V HN 0.317 nan 8.190 nan 0.000 0.424 1202 M N 6.062 125.439 119.600 -0.371 0.000 2.740 1202 M HA 0.275 4.746 4.480 -0.014 0.000 0.253 1202 M C 0.772 177.015 176.300 -0.095 0.000 1.341 1202 M CA 0.585 55.796 55.300 -0.148 0.000 1.176 1202 M CB -0.513 32.078 32.600 -0.015 0.000 1.310 1202 M HN 0.579 nan 8.290 nan 0.000 0.531 1203 F N 1.805 121.760 119.950 0.007 0.000 2.266 1203 F HA 0.686 5.204 4.527 -0.014 0.000 0.287 1203 F C 1.332 177.137 175.800 0.008 0.000 1.255 1203 F CA -0.340 57.664 58.000 0.006 0.000 1.201 1203 F CB -1.095 37.906 39.000 0.003 0.000 1.450 1203 F HN 0.422 nan 8.300 nan 0.000 0.510 1204 G N 0.940 109.926 108.800 0.310 0.000 2.581 1204 G HA2 -0.272 3.679 3.960 -0.014 0.000 0.291 1204 G HA3 -0.272 3.679 3.960 -0.014 0.000 0.291 1204 G C -0.709 174.206 174.900 0.025 0.000 1.277 1204 G CA 0.275 45.486 45.100 0.185 0.000 0.959 1204 G HN 1.465 nan 8.290 nan 0.000 0.554 1205 N N 1.027 119.729 118.700 0.003 0.000 2.319 1205 N HA 0.590 5.321 4.740 -0.014 0.000 0.305 1205 N C -2.264 173.208 175.510 -0.063 0.000 1.103 1205 N CA -1.673 51.367 53.050 -0.017 0.000 0.815 1205 N CB 2.333 40.833 38.487 0.021 0.000 1.288 1205 N HN 0.327 nan 8.380 nan 0.000 0.493 1206 P HA 0.251 nan 4.420 nan 0.000 0.254 1206 P C -0.753 176.521 177.300 -0.043 0.000 1.494 1206 P CA 0.199 63.254 63.100 -0.075 0.000 0.961 1206 P CB 0.154 31.817 31.700 -0.062 0.000 1.493 1207 E N -0.088 120.095 120.200 -0.028 0.000 2.191 1207 E HA 0.419 4.760 4.350 -0.014 0.000 0.278 1207 E C -0.029 176.531 176.600 -0.067 0.000 0.972 1207 E CA -0.293 56.093 56.400 -0.024 0.000 0.804 1207 E CB 1.472 31.179 29.700 0.012 0.000 1.110 1207 E HN 0.060 nan 8.360 nan 0.000 0.394 1208 T N 0.144 114.646 114.554 -0.088 0.000 2.604 1208 T HA 0.498 4.839 4.350 -0.014 0.000 0.267 1208 T C -0.338 174.247 174.700 -0.192 0.000 0.923 1208 T CA -0.718 61.300 62.100 -0.138 0.000 1.077 1208 T CB 1.636 70.445 68.868 -0.099 0.000 1.392 1208 T HN 0.272 nan 8.240 nan 0.000 0.531 1209 T N 1.822 116.259 114.554 -0.195 0.000 2.916 1209 T HA 0.564 4.905 4.350 -0.014 0.000 0.298 1209 T C -0.542 174.071 174.700 -0.145 0.000 1.031 1209 T CA -0.566 61.403 62.100 -0.218 0.000 0.993 1209 T CB 1.354 70.038 68.868 -0.307 0.000 1.045 1209 T HN 0.748 nan 8.240 nan 0.000 0.454 1210 T N 1.247 115.721 114.554 -0.132 0.000 2.898 1210 T HA 0.475 4.816 4.350 -0.014 0.000 0.301 1210 T C 1.314 175.958 174.700 -0.094 0.000 1.049 1210 T CA 0.356 62.396 62.100 -0.099 0.000 1.095 1210 T CB 0.523 69.335 68.868 -0.093 0.000 0.976 1210 T HN 1.181 nan 8.240 nan 0.000 0.539 1211 G N 0.469 109.224 108.800 -0.074 0.000 2.171 1211 G HA2 0.245 4.196 3.960 -0.014 0.000 0.238 1211 G HA3 0.245 4.196 3.960 -0.014 0.000 0.238 1211 G C 0.722 175.579 174.900 -0.072 0.000 1.039 1211 G CA 0.106 45.158 45.100 -0.080 0.000 0.759 1211 G HN 1.826 nan 8.290 nan 0.000 0.501 1212 G N -0.124 108.646 108.800 -0.050 0.000 2.601 1212 G HA2 -0.264 3.687 3.960 -0.014 0.000 0.261 1212 G HA3 -0.264 3.687 3.960 -0.014 0.000 0.261 1212 G C 0.702 175.601 174.900 -0.002 0.000 1.289 1212 G CA 0.543 45.630 45.100 -0.022 0.000 0.920 1212 G HN 0.960 nan 8.290 nan 0.000 0.571 1213 N N 0.652 119.386 118.700 0.055 0.000 2.325 1213 N HA 0.204 4.935 4.740 -0.014 0.000 0.182 1213 N C 2.435 178.095 175.510 0.250 0.000 1.088 1213 N CA 1.252 54.388 53.050 0.144 0.000 0.879 1213 N CB 0.010 38.633 38.487 0.227 0.000 0.983 1213 N HN 0.833 nan 8.380 nan 0.000 0.471 1214 A N 1.579 124.495 122.820 0.159 0.000 1.873 1214 A HA -0.166 4.146 4.320 -0.014 0.000 0.218 1214 A C 2.165 179.907 177.584 0.262 0.000 1.193 1214 A CA 1.224 53.382 52.037 0.202 0.000 0.629 1214 A CB -0.766 18.250 19.000 0.027 0.000 0.826 1214 A HN 0.216 nan 8.150 nan 0.000 0.447 1215 L N -0.172 121.089 121.223 0.062 0.000 2.083 1215 L HA -0.131 4.201 4.340 -0.014 0.000 0.209 1215 L C 2.223 179.149 176.870 0.093 0.000 1.083 1215 L CA 2.119 56.965 54.840 0.009 0.000 0.752 1215 L CB -0.566 41.385 42.059 -0.179 0.000 0.899 1215 L HN 0.368 nan 8.230 nan 0.000 0.433 1216 K N -1.106 119.327 120.400 0.055 0.000 2.059 1216 K HA -0.241 4.070 4.320 -0.014 0.000 0.212 1216 K C 2.055 178.614 176.600 -0.068 0.000 1.050 1216 K CA 2.169 58.423 56.287 -0.055 0.000 0.927 1216 K CB -0.465 31.923 32.500 -0.187 0.000 0.714 1216 K HN 0.277 nan 8.250 nan 0.000 0.447 1217 F N -0.725 119.266 119.950 0.069 0.000 2.128 1217 F HA -0.117 4.401 4.527 -0.014 0.000 0.295 1217 F C 2.118 177.906 175.800 -0.020 0.000 1.100 1217 F CA 1.108 59.114 58.000 0.009 0.000 1.260 1217 F CB -0.379 38.599 39.000 -0.036 0.000 1.009 1217 F HN 0.001 nan 8.300 nan 0.000 0.476 1218 Y N 0.068 120.488 120.300 0.199 0.000 2.395 1218 Y HA 0.196 4.737 4.550 -0.014 0.000 0.293 1218 Y C 1.619 177.575 175.900 0.093 0.000 1.123 1218 Y CA -0.020 58.158 58.100 0.130 0.000 1.227 1218 Y CB -0.683 37.834 38.460 0.095 0.000 1.012 1218 Y HN -0.113 nan 8.280 nan 0.000 0.552 1219 A N -0.097 122.850 122.820 0.212 0.000 2.511 1219 A HA 0.138 4.450 4.320 -0.014 0.000 0.242 1219 A C 1.215 178.845 177.584 0.078 0.000 1.069 1219 A CA 0.434 52.553 52.037 0.137 0.000 0.763 1219 A CB 0.168 19.229 19.000 0.103 0.000 1.001 1219 A HN 0.344 nan 8.150 nan 0.000 0.498 1220 S N 0.624 116.362 115.700 0.064 0.000 2.458 1220 S HA 0.164 4.626 4.470 -0.014 0.000 0.223 1220 S C 0.395 174.980 174.600 -0.025 0.000 1.019 1220 S CA 0.480 58.691 58.200 0.017 0.000 0.937 1220 S CB 0.119 63.335 63.200 0.026 0.000 0.788 1220 S HN 0.558 nan 8.310 nan 0.000 0.511 1221 V N 2.362 122.271 119.914 -0.008 0.000 2.709 1221 V HA 0.495 4.606 4.120 -0.014 0.000 0.308 1221 V C -0.741 175.348 176.094 -0.008 0.000 1.062 1221 V CA -0.825 61.453 62.300 -0.036 0.000 0.901 1221 V CB 2.063 33.865 31.823 -0.034 0.000 1.003 1221 V HN 0.131 nan 8.190 nan 0.000 0.425 1222 R N 3.968 124.448 120.500 -0.033 0.000 2.476 1222 R HA 0.632 4.963 4.340 -0.014 0.000 0.305 1222 R C -1.871 174.400 176.300 -0.048 0.000 0.965 1222 R CA -0.830 55.279 56.100 0.015 0.000 0.867 1222 R CB 2.186 32.527 30.300 0.069 0.000 1.176 1222 R HN 0.370 nan 8.270 nan 0.000 0.447 1223 L N 2.144 123.312 121.223 -0.093 0.000 2.329 1223 L HA 0.349 4.680 4.340 -0.014 0.000 0.279 1223 L C -0.124 176.451 176.870 -0.492 0.000 1.014 1223 L CA -0.408 54.318 54.840 -0.191 0.000 0.814 1223 L CB 1.479 43.478 42.059 -0.101 0.000 1.257 1223 L HN 0.448 nan 8.230 nan 0.000 0.424 1224 D N 3.853 123.979 120.400 -0.457 0.000 2.461 1224 D HA 0.267 4.899 4.640 -0.014 0.000 0.240 1224 D C -0.808 175.332 176.300 -0.267 0.000 1.094 1224 D CA -0.243 53.392 54.000 -0.607 0.000 0.868 1224 D CB 0.925 41.486 40.800 -0.398 0.000 1.062 1224 D HN 0.447 nan 8.370 nan 0.000 0.530 1225 I N 3.114 123.560 120.570 -0.208 0.000 2.385 1225 I HA 0.490 4.651 4.170 -0.014 0.000 0.294 1225 I C -0.775 175.313 176.117 -0.048 0.000 0.988 1225 I CA -0.594 60.652 61.300 -0.090 0.000 1.265 1225 I CB 0.579 38.565 38.000 -0.022 0.000 1.388 1225 I HN 0.222 nan 8.210 nan 0.000 0.480 1226 R N 5.735 126.200 120.500 -0.059 0.000 2.584 1226 R HA 0.361 4.692 4.340 -0.014 0.000 0.276 1226 R C -1.041 175.228 176.300 -0.052 0.000 1.046 1226 R CA -0.864 55.217 56.100 -0.032 0.000 0.906 1226 R CB 1.927 32.211 30.300 -0.028 0.000 1.215 1226 R HN 0.573 nan 8.270 nan 0.000 0.449 1227 R N 4.211 124.704 120.500 -0.011 0.000 2.316 1227 R HA 0.134 4.465 4.340 -0.014 0.000 0.314 1227 R C 0.678 176.963 176.300 -0.025 0.000 1.069 1227 R CA 0.177 56.272 56.100 -0.008 0.000 0.959 1227 R CB 0.387 30.721 30.300 0.056 0.000 0.987 1227 R HN 0.781 nan 8.270 nan 0.000 0.446 1228 I N 0.727 121.263 120.570 -0.056 0.000 4.035 1228 I HA 0.466 4.628 4.170 -0.014 0.000 0.321 1228 I C 0.590 176.675 176.117 -0.053 0.000 1.289 1228 I CA -0.128 61.137 61.300 -0.059 0.000 1.236 1228 I CB 0.882 38.834 38.000 -0.080 0.000 1.076 1228 I HN 0.592 nan 8.210 nan 0.000 0.418 1229 G N 0.922 109.689 108.800 -0.056 0.000 2.550 1229 G HA2 0.700 4.651 3.960 -0.014 0.000 0.293 1229 G HA3 0.700 4.651 3.960 -0.014 0.000 0.293 1229 G C -1.947 172.908 174.900 -0.074 0.000 1.402 1229 G CA -0.268 44.795 45.100 -0.063 0.000 0.784 1229 G HN 0.289 nan 8.290 nan 0.000 0.482 1230 A N -0.476 122.287 122.820 -0.095 0.000 2.317 1230 A HA 0.684 4.996 4.320 -0.014 0.000 0.327 1230 A C -0.201 177.329 177.584 -0.090 0.000 1.178 1230 A CA -0.517 51.451 52.037 -0.115 0.000 0.817 1230 A CB 1.474 20.367 19.000 -0.178 0.000 1.189 1230 A HN 1.289 nan 8.150 nan 0.000 0.489 1231 V N 4.351 124.207 119.914 -0.097 0.000 2.338 1231 V HA 0.139 4.250 4.120 -0.014 0.000 0.255 1231 V C 0.502 176.561 176.094 -0.058 0.000 1.082 1231 V CA -0.081 62.169 62.300 -0.084 0.000 0.951 1231 V CB -0.261 31.494 31.823 -0.113 0.000 1.102 1231 V HN 0.826 nan 8.190 nan 0.000 0.489 1232 K N 3.028 123.403 120.400 -0.042 0.000 2.090 1232 K HA 0.495 4.807 4.320 -0.014 0.000 0.249 1232 K C 0.060 176.653 176.600 -0.012 0.000 0.995 1232 K CA -0.620 55.652 56.287 -0.025 0.000 0.914 1232 K CB 1.298 33.780 32.500 -0.029 0.000 1.057 1232 K HN 0.458 nan 8.250 nan 0.000 0.462 1233 E N 0.696 120.897 120.200 0.001 0.000 4.230 1233 E HA 0.135 4.476 4.350 -0.014 0.000 0.216 1233 E C 0.370 176.974 176.600 0.007 0.000 1.132 1233 E CA -0.003 56.401 56.400 0.006 0.000 1.404 1233 E CB 0.754 30.465 29.700 0.019 0.000 1.183 1233 E HN 1.019 nan 8.360 nan 0.000 0.431 1234 G N 1.974 110.775 108.800 0.001 0.000 5.431 1234 G HA2 -0.397 3.554 3.960 -0.014 0.000 0.322 1234 G HA3 -0.397 3.554 3.960 -0.014 0.000 0.322 1234 G C 1.058 175.960 174.900 0.003 0.000 1.370 1234 G CA 0.713 45.814 45.100 0.001 0.000 0.963 1234 G HN 0.396 nan 8.290 nan 0.000 0.797 1235 E N 1.529 121.734 120.200 0.009 0.000 2.162 1235 E HA 0.083 4.424 4.350 -0.014 0.000 0.193 1235 E C 1.033 177.646 176.600 0.022 0.000 0.953 1235 E CA 0.293 56.701 56.400 0.013 0.000 0.849 1235 E CB -0.120 29.590 29.700 0.017 0.000 0.810 1235 E HN 0.638 nan 8.360 nan 0.000 0.470 1236 N N 0.464 119.183 118.700 0.032 0.000 2.525 1236 N HA 0.109 4.840 4.740 -0.014 0.000 0.271 1236 N C -0.792 174.752 175.510 0.057 0.000 1.194 1236 N CA -0.088 52.994 53.050 0.055 0.000 0.964 1236 N CB 1.629 40.153 38.487 0.063 0.000 1.126 1236 N HN -0.213 nan 8.380 nan 0.000 0.452 1237 V N 2.366 122.340 119.914 0.100 0.000 2.318 1237 V HA 0.115 4.226 4.120 -0.014 0.000 0.271 1237 V C 0.578 176.811 176.094 0.232 0.000 1.030 1237 V CA -0.311 62.062 62.300 0.121 0.000 0.844 1237 V CB 1.169 33.060 31.823 0.113 0.000 1.015 1237 V HN 0.550 nan 8.190 nan 0.000 0.460 1238 V N 4.382 124.360 119.914 0.107 0.000 3.660 1238 V HA 0.633 4.745 4.120 -0.014 0.000 0.276 1238 V C 0.840 176.784 176.094 -0.250 0.000 1.317 1238 V CA 1.283 63.636 62.300 0.088 0.000 1.097 1238 V CB 0.260 32.111 31.823 0.047 0.000 0.863 1238 V HN 0.907 nan 8.190 nan 0.000 0.438 1239 G N -1.176 107.310 108.800 -0.523 0.000 2.559 1239 G HA2 0.473 4.425 3.960 -0.014 0.000 0.291 1239 G HA3 0.473 4.425 3.960 -0.014 0.000 0.291 1239 G C -1.480 173.076 174.900 -0.573 0.000 1.424 1239 G CA -0.269 44.230 45.100 -1.001 0.000 0.786 1239 G HN -0.015 nan 8.290 nan 0.000 0.485 1240 S N -0.115 115.355 115.700 -0.384 0.000 2.456 1240 S HA 0.486 4.947 4.470 -0.014 0.000 0.316 1240 S C -0.301 174.255 174.600 -0.073 0.000 1.089 1240 S CA -0.413 57.746 58.200 -0.068 0.000 1.101 1240 S CB 1.603 64.876 63.200 0.122 0.000 0.995 1240 S HN 0.581 nan 8.310 nan 0.000 0.468 1241 E N 2.148 122.302 120.200 -0.077 0.000 2.376 1241 E HA 0.284 4.625 4.350 -0.014 0.000 0.266 1241 E C -0.567 175.945 176.600 -0.146 0.000 1.009 1241 E CA 0.500 56.840 56.400 -0.099 0.000 0.902 1241 E CB 0.542 30.191 29.700 -0.085 0.000 0.972 1241 E HN 0.449 nan 8.360 nan 0.000 0.439 1242 T N 4.977 119.364 114.554 -0.279 0.000 2.893 1242 T HA 0.496 4.838 4.350 -0.014 0.000 0.293 1242 T C -0.874 173.492 174.700 -0.557 0.000 1.027 1242 T CA -0.792 61.044 62.100 -0.439 0.000 0.988 1242 T CB 1.267 69.768 68.868 -0.611 0.000 1.043 1242 T HN 0.374 nan 8.240 nan 0.000 0.461 1243 R N 2.226 122.497 120.500 -0.381 0.000 2.532 1243 R HA 0.694 5.025 4.340 -0.014 0.000 0.297 1243 R C -1.934 174.242 176.300 -0.207 0.000 0.984 1243 R CA -0.508 55.422 56.100 -0.284 0.000 0.884 1243 R CB 1.348 31.552 30.300 -0.160 0.000 1.182 1243 R HN 0.464 nan 8.270 nan 0.000 0.442 1244 V N 4.529 124.353 119.914 -0.150 0.000 2.495 1244 V HA 0.425 4.536 4.120 -0.014 0.000 0.298 1244 V C -0.247 175.823 176.094 -0.041 0.000 1.031 1244 V CA -0.792 61.468 62.300 -0.066 0.000 0.871 1244 V CB 1.898 33.741 31.823 0.033 0.000 0.988 1244 V HN 0.672 nan 8.190 nan 0.000 0.432 1245 K N 2.834 123.201 120.400 -0.054 0.000 2.206 1245 K HA 0.582 4.893 4.320 -0.014 0.000 0.264 1245 K C -1.014 175.553 176.600 -0.055 0.000 0.967 1245 K CA -0.680 55.593 56.287 -0.023 0.000 0.844 1245 K CB 2.209 34.717 32.500 0.013 0.000 1.099 1245 K HN 0.457 nan 8.250 nan 0.000 0.441 1246 V N 4.621 124.501 119.914 -0.057 0.000 2.405 1246 V HA -0.004 4.107 4.120 -0.014 0.000 0.264 1246 V C 1.016 176.973 176.094 -0.228 0.000 1.048 1246 V CA 0.041 62.262 62.300 -0.131 0.000 0.966 1246 V CB 0.945 32.682 31.823 -0.143 0.000 1.015 1246 V HN 0.650 nan 8.190 nan 0.000 0.477 1247 V N 3.979 123.768 119.914 -0.208 0.000 2.949 1247 V HA 0.179 4.291 4.120 -0.014 0.000 0.245 1247 V C 0.816 176.676 176.094 -0.389 0.000 1.086 1247 V CA 0.852 63.022 62.300 -0.217 0.000 1.097 1247 V CB 0.036 31.879 31.823 0.033 0.000 0.762 1247 V HN 0.766 nan 8.190 nan 0.000 0.470 1248 K N 1.080 121.312 120.400 -0.280 0.000 2.371 1248 K HA 0.434 4.745 4.320 -0.014 0.000 0.251 1248 K C -1.504 174.933 176.600 -0.272 0.000 0.934 1248 K CA -0.570 55.547 56.287 -0.284 0.000 0.798 1248 K CB 1.726 34.137 32.500 -0.148 0.000 1.204 1248 K HN 0.117 nan 8.250 nan 0.000 0.427 1249 N N 2.991 121.507 118.700 -0.306 0.000 2.549 1249 N HA 0.186 4.918 4.740 -0.014 0.000 0.290 1249 N C -0.851 174.504 175.510 -0.259 0.000 1.122 1249 N CA -0.302 52.588 53.050 -0.267 0.000 0.885 1249 N CB 1.534 39.832 38.487 -0.315 0.000 1.455 1249 N HN 0.601 nan 8.380 nan 0.000 0.521 1250 K N 2.220 122.508 120.400 -0.186 0.000 2.374 1250 K HA 0.255 4.566 4.320 -0.014 0.000 0.196 1250 K C 0.763 177.245 176.600 -0.196 0.000 1.023 1250 K CA 0.142 56.321 56.287 -0.179 0.000 1.103 1250 K CB 0.593 33.040 32.500 -0.089 0.000 0.848 1250 K HN 0.379 nan 8.250 nan 0.000 0.528 1251 I N -0.300 120.160 120.570 -0.183 0.000 3.883 1251 I HA 0.161 4.322 4.170 -0.014 0.000 0.305 1251 I C 0.197 176.225 176.117 -0.149 0.000 1.247 1251 I CA 0.019 61.238 61.300 -0.135 0.000 1.350 1251 I CB 0.992 38.944 38.000 -0.081 0.000 1.194 1251 I HN -0.054 nan 8.210 nan 0.000 0.441 1252 A N -0.414 122.291 122.820 -0.191 0.000 2.534 1252 A HA 0.851 5.162 4.320 -0.014 0.000 0.300 1252 A C -0.870 176.566 177.584 -0.246 0.000 1.223 1252 A CA -0.183 51.757 52.037 -0.163 0.000 0.666 1252 A CB -0.096 18.850 19.000 -0.091 0.000 1.316 1252 A HN 0.065 nan 8.150 nan 0.000 0.468 1253 A N 1.342 124.055 122.820 -0.179 0.000 2.520 1253 A HA 0.555 4.867 4.320 -0.014 0.000 0.245 1253 A C -2.060 175.324 177.584 -0.334 0.000 1.072 1253 A CA -0.495 51.370 52.037 -0.286 0.000 0.761 1253 A CB -0.760 18.222 19.000 -0.030 0.000 1.004 1253 A HN 0.509 nan 8.150 nan 0.000 0.499 1254 P HA 0.519 nan 4.420 nan 0.000 0.282 1254 P C -0.116 177.047 177.300 -0.227 0.000 1.287 1254 P CA -0.316 62.471 63.100 -0.522 0.000 0.792 1254 P CB 0.174 31.343 31.700 -0.884 0.000 1.163 1255 F N -4.622 115.286 119.950 -0.071 0.000 2.840 1255 F HA -0.203 4.315 4.527 -0.014 0.000 0.310 1255 F C 0.658 176.458 175.800 -0.000 0.000 0.688 1255 F CA 0.764 58.757 58.000 -0.012 0.000 1.286 1255 F CB -2.409 36.612 39.000 0.035 0.000 1.612 1255 F HN 0.226 nan 8.300 nan 0.000 0.335 1256 K N 1.241 121.697 120.400 0.093 0.000 2.202 1256 K HA 0.458 4.770 4.320 -0.014 0.000 0.264 1256 K C 0.434 177.062 176.600 0.047 0.000 1.010 1256 K CA -0.271 56.056 56.287 0.067 0.000 0.940 1256 K CB 0.746 33.265 32.500 0.032 0.000 0.983 1256 K HN 0.415 nan 8.250 nan 0.000 0.475 1257 Q N 0.161 119.987 119.800 0.042 0.000 2.397 1257 Q HA 0.728 5.060 4.340 -0.014 0.000 0.275 1257 Q C -1.708 174.306 176.000 0.024 0.000 1.090 1257 Q CA -1.243 54.576 55.803 0.026 0.000 0.809 1257 Q CB 2.157 30.909 28.738 0.022 0.000 1.362 1257 Q HN 0.524 nan 8.270 nan 0.000 0.431 1258 A N 1.920 124.758 122.820 0.029 0.000 2.365 1258 A HA 0.643 4.954 4.320 -0.014 0.000 0.318 1258 A C -1.106 176.484 177.584 0.010 0.000 1.091 1258 A CA -0.668 51.407 52.037 0.063 0.000 0.763 1258 A CB 1.567 20.651 19.000 0.140 0.000 1.248 1258 A HN 0.797 nan 8.150 nan 0.000 0.442 1259 E N 0.219 120.423 120.200 0.006 0.000 2.244 1259 E HA 0.776 5.117 4.350 -0.014 0.000 0.266 1259 E C -1.102 175.504 176.600 0.010 0.000 0.914 1259 E CA -0.398 55.926 56.400 -0.126 0.000 0.794 1259 E CB 2.107 31.752 29.700 -0.092 0.000 1.210 1259 E HN 0.666 nan 8.360 nan 0.000 0.414 1260 F N -1.916 118.015 119.950 -0.032 0.000 3.332 1260 F HA 0.346 4.864 4.527 -0.014 0.000 0.327 1260 F C -1.716 174.064 175.800 -0.033 0.000 1.128 1260 F CA -1.179 56.798 58.000 -0.038 0.000 0.854 1260 F CB 0.866 39.840 39.000 -0.043 0.000 1.500 1260 F HN 0.180 nan 8.300 nan 0.000 0.485 1261 Q N 1.254 121.262 119.800 0.347 0.000 2.333 1261 Q HA 0.671 5.002 4.340 -0.014 0.000 0.267 1261 Q C -1.303 174.852 176.000 0.258 0.000 1.012 1261 Q CA -0.763 55.146 55.803 0.176 0.000 0.824 1261 Q CB 3.015 31.793 28.738 0.067 0.000 1.290 1261 Q HN 0.568 nan 8.270 nan 0.000 0.449 1262 I N 3.808 124.472 120.570 0.157 0.000 2.307 1262 I HA 0.223 4.385 4.170 -0.014 0.000 0.289 1262 I C -0.516 175.562 176.117 -0.064 0.000 1.021 1262 I CA -0.441 60.932 61.300 0.122 0.000 1.224 1262 I CB 0.619 38.734 38.000 0.193 0.000 1.376 1262 I HN 0.364 nan 8.210 nan 0.000 0.470 1263 L N 7.134 128.341 121.223 -0.028 0.000 2.278 1263 L HA 0.293 4.625 4.340 -0.014 0.000 0.287 1263 L C -0.550 176.348 176.870 0.046 0.000 1.072 1263 L CA -0.813 53.978 54.840 -0.082 0.000 0.819 1263 L CB -0.031 42.020 42.059 -0.012 0.000 1.176 1263 L HN 0.396 nan 8.230 nan 0.000 0.435 1264 Y N 2.322 122.716 120.300 0.156 0.000 2.721 1264 Y HA 0.185 4.726 4.550 -0.014 0.000 0.329 1264 Y C 1.488 177.524 175.900 0.226 0.000 1.211 1264 Y CA 0.589 58.816 58.100 0.211 0.000 1.512 1264 Y CB -0.086 38.467 38.460 0.155 0.000 1.249 1264 Y HN 0.863 nan 8.280 nan 0.000 0.549 1265 G N 1.978 111.105 108.800 0.545 0.000 2.176 1265 G HA2 -0.336 3.616 3.960 -0.014 0.000 0.253 1265 G HA3 -0.336 3.616 3.960 -0.014 0.000 0.253 1265 G C 0.824 175.763 174.900 0.065 0.000 0.979 1265 G CA 0.617 45.910 45.100 0.322 0.000 0.641 1265 G HN 0.633 nan 8.290 nan 0.000 0.530 1266 E N -1.343 118.889 120.200 0.053 0.000 2.444 1266 E HA 0.475 4.816 4.350 -0.014 0.000 0.203 1266 E C 1.355 177.924 176.600 -0.052 0.000 0.847 1266 E CA 1.294 57.688 56.400 -0.011 0.000 1.142 1266 E CB 0.703 30.418 29.700 0.025 0.000 1.125 1266 E HN 1.628 nan 8.360 nan 0.000 0.521 1267 G N 0.611 109.410 108.800 -0.000 0.000 2.297 1267 G HA2 -0.101 3.850 3.960 -0.014 0.000 0.209 1267 G HA3 -0.101 3.850 3.960 -0.014 0.000 0.209 1267 G C -0.890 174.024 174.900 0.023 0.000 1.267 1267 G CA -0.461 44.636 45.100 -0.005 0.000 1.127 1267 G HN 0.138 nan 8.290 nan 0.000 0.498 1268 I N 1.526 122.084 120.570 -0.020 0.000 2.618 1268 I HA 0.081 4.243 4.170 -0.014 0.000 0.284 1268 I C 0.599 176.698 176.117 -0.031 0.000 1.146 1268 I CA -0.246 61.018 61.300 -0.061 0.000 1.425 1268 I CB 0.762 38.601 38.000 -0.268 0.000 1.383 1268 I HN 0.433 nan 8.210 nan 0.000 0.562 1269 N N 6.419 125.130 118.700 0.017 0.000 2.671 1269 N HA -0.025 4.706 4.740 -0.014 0.000 0.274 1269 N C 0.544 176.056 175.510 0.003 0.000 1.188 1269 N CA 0.225 53.296 53.050 0.034 0.000 1.065 1269 N CB -0.125 38.393 38.487 0.053 0.000 1.415 1269 N HN 0.514 nan 8.380 nan 0.000 0.511 1270 F N 2.847 122.674 119.950 -0.205 0.000 2.113 1270 F HA -0.161 4.358 4.527 -0.014 0.000 0.297 1270 F C 0.951 176.609 175.800 -0.236 0.000 1.103 1270 F CA 1.455 59.275 58.000 -0.301 0.000 1.248 1270 F CB -0.052 38.657 39.000 -0.484 0.000 0.999 1270 F HN 0.395 nan 8.300 nan 0.000 0.475 1271 Y N 0.531 120.949 120.300 0.196 0.000 2.293 1271 Y HA -0.006 4.535 4.550 -0.014 0.000 0.291 1271 Y C 2.657 178.543 175.900 -0.024 0.000 1.137 1271 Y CA 0.845 59.001 58.100 0.094 0.000 1.202 1271 Y CB -1.435 37.082 38.460 0.094 0.000 0.990 1271 Y HN 0.130 nan 8.280 nan 0.000 0.537 1272 G N 0.087 108.950 108.800 0.105 0.000 2.514 1272 G HA2 -0.296 3.655 3.960 -0.014 0.000 0.217 1272 G HA3 -0.296 3.655 3.960 -0.014 0.000 0.217 1272 G C 1.525 176.409 174.900 -0.026 0.000 1.198 1272 G CA 1.278 46.394 45.100 0.025 0.000 0.780 1272 G HN 0.423 nan 8.290 nan 0.000 0.565 1273 E N -0.262 119.883 120.200 -0.091 0.000 2.070 1273 E HA -0.163 4.178 4.350 -0.014 0.000 0.197 1273 E C 2.421 178.928 176.600 -0.154 0.000 1.004 1273 E CA 1.009 57.322 56.400 -0.145 0.000 0.805 1273 E CB -0.251 29.276 29.700 -0.287 0.000 0.744 1273 E HN 0.313 nan 8.360 nan 0.000 0.451 1274 L N 0.749 121.853 121.223 -0.198 0.000 2.042 1274 L HA -0.171 4.160 4.340 -0.014 0.000 0.210 1274 L C 2.236 179.095 176.870 -0.017 0.000 1.076 1274 L CA 1.370 56.140 54.840 -0.117 0.000 0.749 1274 L CB -0.404 41.643 42.059 -0.021 0.000 0.893 1274 L HN -0.032 nan 8.230 nan 0.000 0.432 1275 V N -0.165 119.751 119.914 0.004 0.000 2.255 1275 V HA -0.329 3.782 4.120 -0.014 0.000 0.247 1275 V C 2.330 178.449 176.094 0.041 0.000 1.051 1275 V CA 2.116 64.419 62.300 0.006 0.000 1.018 1275 V CB -0.771 31.005 31.823 -0.079 0.000 0.641 1275 V HN 0.437 nan 8.190 nan 0.000 0.445 1276 D N -0.198 120.216 120.400 0.023 0.000 2.097 1276 D HA -0.120 4.511 4.640 -0.014 0.000 0.195 1276 D C 2.153 178.476 176.300 0.039 0.000 0.989 1276 D CA 0.975 55.003 54.000 0.047 0.000 0.827 1276 D CB -0.300 40.516 40.800 0.026 0.000 0.966 1276 D HN 0.168 nan 8.370 nan 0.000 0.456 1277 L N 0.616 121.843 121.223 0.006 0.000 2.046 1277 L HA -0.083 4.248 4.340 -0.014 0.000 0.208 1277 L C 2.468 179.356 176.870 0.029 0.000 1.077 1277 L CA 1.689 56.531 54.840 0.003 0.000 0.747 1277 L CB -1.544 40.493 42.059 -0.037 0.000 0.896 1277 L HN 0.096 nan 8.230 nan 0.000 0.432 1278 G N -0.857 107.967 108.800 0.041 0.000 2.418 1278 G HA2 -0.164 3.788 3.960 -0.014 0.000 0.217 1278 G HA3 -0.164 3.788 3.960 -0.014 0.000 0.217 1278 G C 1.725 176.684 174.900 0.097 0.000 1.158 1278 G CA 0.886 46.028 45.100 0.070 0.000 0.771 1278 G HN 0.264 nan 8.290 nan 0.000 0.545 1279 V N 0.646 120.627 119.914 0.112 0.000 2.427 1279 V HA -0.113 3.998 4.120 -0.014 0.000 0.248 1279 V C 2.666 178.805 176.094 0.074 0.000 1.051 1279 V CA 2.016 64.386 62.300 0.116 0.000 1.048 1279 V CB -0.332 31.587 31.823 0.159 0.000 0.666 1279 V HN 0.339 nan 8.190 nan 0.000 0.456 1280 K N -0.142 120.295 120.400 0.062 0.000 2.097 1280 K HA -0.159 4.152 4.320 -0.014 0.000 0.205 1280 K C 1.829 178.454 176.600 0.041 0.000 1.050 1280 K CA 1.167 57.481 56.287 0.044 0.000 0.938 1280 K CB 0.028 32.549 32.500 0.036 0.000 0.718 1280 K HN 0.363 nan 8.250 nan 0.000 0.442 1281 E N 0.624 120.853 120.200 0.048 0.000 2.489 1281 E HA -0.022 4.320 4.350 -0.014 0.000 0.193 1281 E C -0.078 176.554 176.600 0.054 0.000 1.057 1281 E CA 0.170 56.599 56.400 0.047 0.000 0.866 1281 E CB 0.458 30.187 29.700 0.048 0.000 0.916 1281 E HN 0.152 nan 8.360 nan 0.000 0.500 1282 K N -0.414 120.022 120.400 0.059 0.000 3.281 1282 K HA -0.192 4.120 4.320 -0.014 0.000 0.295 1282 K C 1.002 177.652 176.600 0.082 0.000 1.233 1282 K CA 0.443 56.765 56.287 0.059 0.000 0.866 1282 K CB -2.104 30.420 32.500 0.039 0.000 1.265 1282 K HN 0.255 nan 8.250 nan 0.000 0.482 1283 L N -0.348 120.944 121.223 0.115 0.000 2.307 1283 L HA 0.177 4.509 4.340 -0.014 0.000 0.211 1283 L C 1.178 178.209 176.870 0.268 0.000 1.099 1283 L CA 0.657 55.607 54.840 0.183 0.000 0.816 1283 L CB 0.088 42.261 42.059 0.190 0.000 0.952 1283 L HN 0.106 nan 8.230 nan 0.000 0.455 1284 I N -0.359 120.337 120.570 0.210 0.000 2.404 1284 I HA 0.206 4.368 4.170 -0.014 0.000 0.293 1284 I C -0.263 175.942 176.117 0.147 0.000 0.992 1284 I CA -0.611 60.829 61.300 0.234 0.000 1.149 1284 I CB 2.181 40.321 38.000 0.233 0.000 1.315 1284 I HN -0.128 nan 8.210 nan 0.000 0.446 1285 E N 5.478 125.747 120.200 0.114 0.000 2.259 1285 E HA 0.234 4.575 4.350 -0.014 0.000 0.281 1285 E C -0.725 175.859 176.600 -0.027 0.000 1.027 1285 E CA -0.301 56.120 56.400 0.036 0.000 0.838 1285 E CB 0.995 30.704 29.700 0.015 0.000 1.066 1285 E HN 0.276 nan 8.360 nan 0.000 0.401 1286 K N 2.711 123.048 120.400 -0.105 0.000 2.464 1286 K HA 0.494 4.805 4.320 -0.014 0.000 0.252 1286 K C -1.369 175.131 176.600 -0.168 0.000 1.000 1286 K CA -0.599 55.517 56.287 -0.284 0.000 0.951 1286 K CB 0.935 33.199 32.500 -0.393 0.000 1.183 1286 K HN 0.515 nan 8.250 nan 0.000 0.445 1287 A N 3.721 126.479 122.820 -0.104 0.000 3.016 1287 A HA 0.503 4.814 4.320 -0.014 0.000 0.303 1287 A C 0.925 178.517 177.584 0.012 0.000 1.507 1287 A CA 0.371 52.393 52.037 -0.026 0.000 1.196 1287 A CB -0.467 18.535 19.000 0.003 0.000 1.169 1287 A HN 1.056 nan 8.150 nan 0.000 0.544 1288 G N 1.456 110.232 108.800 -0.040 0.000 2.889 1288 G HA2 -0.144 3.808 3.960 -0.014 0.000 0.308 1288 G HA3 -0.144 3.808 3.960 -0.014 0.000 0.308 1288 G C 1.341 176.201 174.900 -0.067 0.000 1.248 1288 G CA 0.813 45.900 45.100 -0.022 0.000 0.982 1288 G HN 1.894 nan 8.290 nan 0.000 0.571 1289 A N -0.788 122.024 122.820 -0.013 0.000 2.348 1289 A HA 0.542 4.853 4.320 -0.014 0.000 0.224 1289 A C 0.469 177.957 177.584 -0.160 0.000 1.227 1289 A CA 0.475 52.462 52.037 -0.084 0.000 0.885 1289 A CB 0.061 19.003 19.000 -0.096 0.000 0.933 1289 A HN 0.545 nan 8.150 nan 0.000 0.506 1290 W N -0.721 120.513 121.300 -0.109 0.000 2.390 1290 W HA 0.576 5.227 4.660 -0.014 0.000 0.312 1290 W C -0.860 175.550 176.519 -0.182 0.000 1.123 1290 W CA -0.084 57.226 57.345 -0.059 0.000 1.202 1290 W CB 0.578 30.006 29.460 -0.052 0.000 1.251 1290 W HN 0.185 nan 8.180 nan 0.000 0.511 1291 Y N 2.355 122.760 120.300 0.175 0.000 2.328 1291 Y HA 0.461 5.002 4.550 -0.014 0.000 0.337 1291 Y C 0.292 176.230 175.900 0.063 0.000 0.966 1291 Y CA -0.576 57.572 58.100 0.081 0.000 1.136 1291 Y CB 1.526 39.990 38.460 0.006 0.000 1.170 1291 Y HN 0.140 nan 8.280 nan 0.000 0.470 1292 S N 3.001 118.794 115.700 0.154 0.000 2.500 1292 S HA 0.409 4.870 4.470 -0.014 0.000 0.301 1292 S C -1.837 172.830 174.600 0.112 0.000 1.092 1292 S CA -0.757 57.486 58.200 0.072 0.000 1.030 1292 S CB 1.126 64.340 63.200 0.022 0.000 1.031 1292 S HN 0.497 nan 8.310 nan 0.000 0.483 1293 Y N 2.851 123.095 120.300 -0.094 0.000 2.326 1293 Y HA 0.372 4.914 4.550 -0.014 0.000 0.331 1293 Y C 0.199 176.083 175.900 -0.027 0.000 0.962 1293 Y CA -0.989 57.084 58.100 -0.045 0.000 1.167 1293 Y CB 0.519 38.952 38.460 -0.045 0.000 1.148 1293 Y HN 0.806 nan 8.280 nan 0.000 0.463 1294 K N 4.946 125.023 120.400 -0.538 0.000 3.077 1294 K HA -0.266 4.046 4.320 -0.014 0.000 0.264 1294 K C 0.961 177.435 176.600 -0.210 0.000 1.008 1294 K CA 0.999 57.018 56.287 -0.447 0.000 0.740 1294 K CB -1.620 30.500 32.500 -0.632 0.000 1.273 1294 K HN 1.327 nan 8.250 nan 0.000 0.477 1295 G N 0.161 108.879 108.800 -0.137 0.000 2.320 1295 G HA2 -0.376 3.575 3.960 -0.014 0.000 0.242 1295 G HA3 -0.376 3.575 3.960 -0.014 0.000 0.242 1295 G C -0.048 174.806 174.900 -0.077 0.000 1.033 1295 G CA 0.512 45.557 45.100 -0.092 0.000 0.620 1295 G HN 0.515 nan 8.290 nan 0.000 0.517 1296 E N 1.735 121.891 120.200 -0.075 0.000 2.259 1296 E HA 0.357 4.699 4.350 -0.014 0.000 0.281 1296 E C 0.186 176.726 176.600 -0.100 0.000 1.037 1296 E CA -0.491 55.870 56.400 -0.065 0.000 0.854 1296 E CB 0.253 29.937 29.700 -0.026 0.000 1.051 1296 E HN 0.324 nan 8.360 nan 0.000 0.409 1297 K N 5.074 125.426 120.400 -0.079 0.000 2.379 1297 K HA 0.112 4.424 4.320 -0.014 0.000 0.284 1297 K C 0.932 177.446 176.600 -0.143 0.000 1.044 1297 K CA 0.072 56.347 56.287 -0.020 0.000 0.974 1297 K CB 0.651 33.179 32.500 0.047 0.000 0.962 1297 K HN 0.574 nan 8.250 nan 0.000 0.474 1298 I N -1.661 118.756 120.570 -0.253 0.000 4.187 1298 I HA 0.290 4.451 4.170 -0.014 0.000 0.326 1298 I C 0.613 176.532 176.117 -0.330 0.000 1.302 1298 I CA -0.293 60.561 61.300 -0.743 0.000 1.196 1298 I CB 1.000 38.240 38.000 -1.266 0.000 1.095 1298 I HN 0.540 nan 8.210 nan 0.000 0.411 1299 G N 0.757 109.528 108.800 -0.048 0.000 2.523 1299 G HA2 0.375 4.326 3.960 -0.014 0.000 0.291 1299 G HA3 0.375 4.326 3.960 -0.014 0.000 0.291 1299 G C -2.101 172.697 174.900 -0.170 0.000 1.450 1299 G CA -0.580 44.480 45.100 -0.068 0.000 0.790 1299 G HN 0.117 nan 8.290 nan 0.000 0.496 1300 Q N 0.111 119.690 119.800 -0.369 0.000 2.363 1300 Q HA 0.529 4.860 4.340 -0.014 0.000 0.265 1300 Q C 0.126 175.976 176.000 -0.250 0.000 1.032 1300 Q CA 0.235 55.664 55.803 -0.623 0.000 0.746 1300 Q CB 1.110 29.250 28.738 -0.997 0.000 1.237 1300 Q HN 2.194 nan 8.270 nan 0.000 0.475 1301 G N 2.867 111.667 108.800 0.001 0.000 2.764 1301 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.686 1301 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.686 1301 G C 0.193 175.039 174.900 -0.089 0.000 1.258 1301 G CA 0.015 45.166 45.100 0.086 0.000 0.846 1301 G HN 0.757 nan 8.290 nan 0.000 0.596 1302 K N 1.173 121.500 120.400 -0.121 0.000 2.144 1302 K HA -0.200 4.111 4.320 -0.014 0.000 0.209 1302 K C 2.898 179.362 176.600 -0.227 0.000 1.047 1302 K CA 2.738 58.821 56.287 -0.340 0.000 0.927 1302 K CB -0.354 32.070 32.500 -0.127 0.000 0.716 1302 K HN 1.254 nan 8.250 nan 0.000 0.454 1303 A N 1.322 124.067 122.820 -0.124 0.000 1.869 1303 A HA -0.289 4.023 4.320 -0.014 0.000 0.218 1303 A C 1.767 179.300 177.584 -0.085 0.000 1.203 1303 A CA 2.334 54.322 52.037 -0.082 0.000 0.638 1303 A CB -0.990 17.975 19.000 -0.058 0.000 0.831 1303 A HN 0.627 nan 8.150 nan 0.000 0.450 1304 N N -0.248 118.390 118.700 -0.103 0.000 2.216 1304 N HA 0.073 4.805 4.740 -0.014 0.000 0.183 1304 N C 1.957 177.438 175.510 -0.048 0.000 1.017 1304 N CA 0.949 53.959 53.050 -0.066 0.000 0.861 1304 N CB -0.273 38.166 38.487 -0.081 0.000 0.986 1304 N HN 0.503 nan 8.380 nan 0.000 0.428 1305 A N 0.784 123.502 122.820 -0.169 0.000 1.908 1305 A HA -0.184 4.127 4.320 -0.014 0.000 0.218 1305 A C 2.265 179.819 177.584 -0.049 0.000 1.181 1305 A CA 1.912 53.843 52.037 -0.176 0.000 0.627 1305 A CB -1.142 17.508 19.000 -0.583 0.000 0.818 1305 A HN 0.231 nan 8.150 nan 0.000 0.445 1306 T N 0.370 114.869 114.554 -0.090 0.000 2.652 1306 T HA -0.062 4.279 4.350 -0.014 0.000 0.267 1306 T C 2.225 176.904 174.700 -0.035 0.000 1.039 1306 T CA 1.787 63.875 62.100 -0.020 0.000 1.153 1306 T CB -0.548 68.320 68.868 -0.001 0.000 0.863 1306 T HN 0.631 nan 8.240 nan 0.000 0.428 1307 A N 0.051 122.859 122.820 -0.020 0.000 1.978 1307 A HA -0.112 4.200 4.320 -0.014 0.000 0.220 1307 A C 2.035 179.597 177.584 -0.037 0.000 1.170 1307 A CA 1.466 53.482 52.037 -0.034 0.000 0.636 1307 A CB -1.033 17.963 19.000 -0.005 0.000 0.810 1307 A HN 0.721 nan 8.150 nan 0.000 0.448 1308 W N 0.268 121.483 121.300 -0.141 0.000 2.407 1308 W HA -0.045 4.607 4.660 -0.014 0.000 0.305 1308 W C 1.733 178.144 176.519 -0.182 0.000 1.196 1308 W CA 1.563 58.834 57.345 -0.122 0.000 1.311 1308 W CB -0.235 29.183 29.460 -0.070 0.000 1.135 1308 W HN 0.228 nan 8.180 nan 0.000 0.514 1309 L N 0.746 121.948 121.223 -0.034 0.000 2.191 1309 L HA -0.223 4.109 4.340 -0.014 0.000 0.212 1309 L C 2.476 178.907 176.870 -0.732 0.000 1.103 1309 L CA 1.413 56.069 54.840 -0.306 0.000 0.769 1309 L CB -0.708 41.274 42.059 -0.128 0.000 0.908 1309 L HN -0.039 nan 8.230 nan 0.000 0.438 1310 K N -0.027 119.911 120.400 -0.769 0.000 2.026 1310 K HA -0.191 4.120 4.320 -0.014 0.000 0.208 1310 K C 1.526 177.835 176.600 -0.484 0.000 1.048 1310 K CA 1.749 57.571 56.287 -0.776 0.000 0.929 1310 K CB 0.034 32.293 32.500 -0.403 0.000 0.713 1310 K HN 0.220 nan 8.250 nan 0.000 0.439 1311 D N 0.031 120.161 120.400 -0.450 0.000 2.277 1311 D HA -0.050 4.581 4.640 -0.014 0.000 0.208 1311 D C -0.267 175.743 176.300 -0.484 0.000 0.962 1311 D CA 0.859 54.616 54.000 -0.404 0.000 0.865 1311 D CB 0.021 40.597 40.800 -0.373 0.000 0.939 1311 D HN 0.128 nan 8.370 nan 0.000 0.510 1312 N N 0.247 118.548 118.700 -0.665 0.000 3.012 1312 N HA 0.195 4.926 4.740 -0.014 0.000 0.270 1312 N C -2.128 173.152 175.510 -0.384 0.000 1.469 1312 N CA -1.141 51.549 53.050 -0.601 0.000 0.928 1312 N CB 1.699 39.571 38.487 -1.025 0.000 1.219 1312 N HN -0.073 nan 8.380 nan 0.000 0.492 1313 P HA -0.124 nan 4.420 nan 0.000 0.220 1313 P C 0.979 178.232 177.300 -0.079 0.000 1.148 1313 P CA 1.064 64.084 63.100 -0.133 0.000 0.803 1313 P CB 0.500 32.147 31.700 -0.089 0.000 0.782 1314 E N -0.528 119.616 120.200 -0.094 0.000 2.051 1314 E HA -0.108 4.233 4.350 -0.014 0.000 0.192 1314 E C 1.845 178.432 176.600 -0.022 0.000 0.991 1314 E CA 1.610 57.983 56.400 -0.045 0.000 0.799 1314 E CB -1.533 28.142 29.700 -0.041 0.000 0.748 1314 E HN 0.295 nan 8.360 nan 0.000 0.449 1315 T N 1.466 115.988 114.554 -0.052 0.000 2.904 1315 T HA 0.014 4.355 4.350 -0.014 0.000 0.267 1315 T C 2.027 176.704 174.700 -0.038 0.000 1.059 1315 T CA 1.121 63.218 62.100 -0.006 0.000 1.137 1315 T CB -0.150 68.735 68.868 0.028 0.000 0.879 1315 T HN 0.254 nan 8.240 nan 0.000 0.467 1316 A N 2.296 125.088 122.820 -0.047 0.000 1.877 1316 A HA -0.110 4.201 4.320 -0.014 0.000 0.216 1316 A C 2.336 179.971 177.584 0.086 0.000 1.186 1316 A CA 1.128 53.187 52.037 0.038 0.000 0.620 1316 A CB -0.321 18.741 19.000 0.103 0.000 0.822 1316 A HN 0.205 nan 8.150 nan 0.000 0.443 1317 K N -0.188 120.251 120.400 0.065 0.000 2.063 1317 K HA -0.199 4.112 4.320 -0.014 0.000 0.208 1317 K C 1.935 178.571 176.600 0.060 0.000 1.048 1317 K CA 1.631 57.956 56.287 0.064 0.000 0.928 1317 K CB -0.444 32.077 32.500 0.034 0.000 0.713 1317 K HN 0.787 nan 8.250 nan 0.000 0.442 1318 E N 0.693 120.924 120.200 0.052 0.000 2.077 1318 E HA -0.159 4.182 4.350 -0.014 0.000 0.193 1318 E C 2.064 178.707 176.600 0.072 0.000 0.989 1318 E CA 0.981 57.423 56.400 0.070 0.000 0.800 1318 E CB -0.008 29.751 29.700 0.098 0.000 0.746 1318 E HN 0.251 nan 8.360 nan 0.000 0.452 1319 I N 0.781 121.370 120.570 0.032 0.000 2.233 1319 I HA -0.199 3.963 4.170 -0.014 0.000 0.243 1319 I C 2.692 178.840 176.117 0.051 0.000 1.093 1319 I CA 1.083 62.397 61.300 0.023 0.000 1.380 1319 I CB -0.383 37.571 38.000 -0.077 0.000 1.067 1319 I HN 0.213 nan 8.210 nan 0.000 0.413 1320 E N 1.831 122.072 120.200 0.070 0.000 2.070 1320 E HA -0.317 4.025 4.350 -0.014 0.000 0.197 1320 E C 2.259 178.899 176.600 0.066 0.000 1.004 1320 E CA 1.586 58.036 56.400 0.082 0.000 0.805 1320 E CB -0.030 29.762 29.700 0.153 0.000 0.744 1320 E HN 0.282 nan 8.360 nan 0.000 0.451 1321 K N 0.600 121.040 120.400 0.066 0.000 2.032 1321 K HA -0.218 4.093 4.320 -0.014 0.000 0.209 1321 K C 2.181 178.812 176.600 0.052 0.000 1.048 1321 K CA 1.732 58.052 56.287 0.055 0.000 0.927 1321 K CB -0.034 32.497 32.500 0.052 0.000 0.712 1321 K HN 0.009 nan 8.250 nan 0.000 0.441 1322 K N 0.058 120.494 120.400 0.060 0.000 2.097 1322 K HA -0.089 4.222 4.320 -0.014 0.000 0.206 1322 K C 1.986 178.617 176.600 0.051 0.000 1.049 1322 K CA 1.068 57.392 56.287 0.061 0.000 0.933 1322 K CB 0.063 32.612 32.500 0.082 0.000 0.717 1322 K HN -0.024 nan 8.250 nan 0.000 0.442 1323 V N 1.130 121.072 119.914 0.046 0.000 2.307 1323 V HA -0.245 3.867 4.120 -0.014 0.000 0.245 1323 V C 2.142 178.252 176.094 0.026 0.000 1.045 1323 V CA 1.665 63.984 62.300 0.032 0.000 1.024 1323 V CB -0.418 31.415 31.823 0.017 0.000 0.651 1323 V HN 0.277 nan 8.190 nan 0.000 0.449 1324 R N -0.093 120.424 120.500 0.029 0.000 2.081 1324 R HA -0.186 4.146 4.340 -0.014 0.000 0.235 1324 R C 2.315 178.631 176.300 0.027 0.000 1.131 1324 R CA 1.807 57.922 56.100 0.026 0.000 0.960 1324 R CB -0.330 29.990 30.300 0.032 0.000 0.856 1324 R HN 0.623 nan 8.270 nan 0.000 0.436 1325 E N 0.614 120.832 120.200 0.031 0.000 2.077 1325 E HA -0.171 4.171 4.350 -0.014 0.000 0.193 1325 E C 2.022 178.640 176.600 0.030 0.000 0.989 1325 E CA 0.953 57.371 56.400 0.030 0.000 0.800 1325 E CB -0.067 29.653 29.700 0.033 0.000 0.746 1325 E HN 0.292 nan 8.360 nan 0.000 0.452 1326 L N 0.133 121.375 121.223 0.032 0.000 2.217 1326 L HA -0.102 4.230 4.340 -0.014 0.000 0.211 1326 L C 1.900 178.786 176.870 0.027 0.000 1.107 1326 L CA 0.801 55.660 54.840 0.031 0.000 0.783 1326 L CB 0.138 42.218 42.059 0.034 0.000 0.919 1326 L HN 0.161 nan 8.230 nan 0.000 0.442 1327 L N -1.502 119.735 121.223 0.024 0.000 3.039 1327 L HA 0.219 4.550 4.340 -0.014 0.000 0.269 1327 L C 0.193 177.075 176.870 0.021 0.000 1.169 1327 L CA -0.273 54.580 54.840 0.022 0.000 0.986 1327 L CB 0.778 42.847 42.059 0.017 0.000 1.377 1327 L HN 0.031 nan 8.230 nan 0.000 0.575 1328 L N 0.545 121.781 121.223 0.020 0.000 2.319 1328 L HA 0.133 4.465 4.340 -0.014 0.000 0.280 1328 L C 1.410 178.294 176.870 0.023 0.000 1.099 1328 L CA -0.079 54.772 54.840 0.019 0.000 0.828 1328 L CB 1.714 43.784 42.059 0.017 0.000 1.150 1328 L HN 0.170 nan 8.230 nan 0.000 0.442 1329 S N 1.485 117.199 115.700 0.023 0.000 2.461 1329 S HA -0.025 4.437 4.470 -0.014 0.000 0.228 1329 S C 0.399 175.018 174.600 0.032 0.000 1.005 1329 S CA 0.273 58.491 58.200 0.031 0.000 0.942 1329 S CB -0.177 63.044 63.200 0.035 0.000 0.776 1329 S HN 0.751 nan 8.310 nan 0.000 0.514 1330 N N 1.531 120.245 118.700 0.023 0.000 2.707 1330 N HA 0.387 5.118 4.740 -0.014 0.000 0.249 1330 N C -3.385 172.135 175.510 0.018 0.000 1.299 1330 N CA -1.032 52.032 53.050 0.024 0.000 0.769 1330 N CB 1.375 39.875 38.487 0.021 0.000 1.236 1330 N HN 0.099 nan 8.380 nan 0.000 0.524 1331 P HA 0.089 nan 4.420 nan 0.000 0.267 1331 P C 0.153 177.462 177.300 0.015 0.000 1.209 1331 P CA 0.038 63.148 63.100 0.017 0.000 0.763 1331 P CB 0.947 32.658 31.700 0.019 0.000 0.816 1332 N N 0.875 119.583 118.700 0.012 0.000 2.093 1332 N HA -0.014 4.717 4.740 -0.014 0.000 0.186 1332 N C 0.457 175.974 175.510 0.011 0.000 1.080 1332 N CA 0.894 53.950 53.050 0.011 0.000 0.891 1332 N CB 0.005 38.497 38.487 0.008 0.000 1.050 1332 N HN 0.527 nan 8.380 nan 0.000 0.444 2002 I N 0.978 121.549 120.570 0.001 0.000 2.729 2002 I HA 0.060 4.221 4.170 -0.014 0.000 0.256 2002 I C 1.773 177.891 176.117 0.001 0.000 1.115 2002 I CA 1.173 62.474 61.300 0.002 0.000 1.446 2002 I CB -0.065 37.936 38.000 0.001 0.000 1.176 2002 I HN 0.372 nan 8.210 nan 0.000 0.446 2003 D N 1.074 121.474 120.400 -0.000 0.000 2.355 2003 D HA -0.119 4.513 4.640 -0.014 0.000 0.218 2003 D C 1.425 177.725 176.300 -0.000 0.000 1.004 2003 D CA 0.620 54.619 54.000 -0.001 0.000 0.880 2003 D CB -0.269 40.530 40.800 -0.003 0.000 0.911 2003 D HN 0.420 nan 8.370 nan 0.000 0.528 2004 E N 0.168 120.368 120.200 0.000 0.000 2.216 2004 E HA -0.035 4.306 4.350 -0.014 0.000 0.192 2004 E C 1.588 178.189 176.600 0.002 0.000 0.988 2004 E CA 0.285 56.686 56.400 0.000 0.000 0.834 2004 E CB -0.040 29.660 29.700 0.000 0.000 0.772 2004 E HN 0.212 nan 8.360 nan 0.000 0.479 2005 N N 1.213 119.914 118.700 0.002 0.000 2.270 2005 N HA -0.087 4.644 4.740 -0.014 0.000 0.181 2005 N C 1.463 176.975 175.510 0.004 0.000 1.016 2005 N CA 0.803 53.855 53.050 0.003 0.000 0.870 2005 N CB 0.079 38.569 38.487 0.004 0.000 0.979 2005 N HN 0.159 nan 8.380 nan 0.000 0.431 2006 K N 0.931 121.332 120.400 0.003 0.000 2.057 2006 K HA -0.063 4.248 4.320 -0.014 0.000 0.207 2006 K C 1.889 178.491 176.600 0.003 0.000 1.049 2006 K CA 0.949 57.237 56.287 0.003 0.000 0.931 2006 K CB -0.011 32.490 32.500 0.001 0.000 0.714 2006 K HN 0.260 nan 8.250 nan 0.000 0.440 2007 Q N 0.538 120.339 119.800 0.002 0.000 2.297 2007 Q HA -0.109 4.223 4.340 -0.014 0.000 0.204 2007 Q C 1.970 177.972 176.000 0.004 0.000 0.962 2007 Q CA 0.802 56.607 55.803 0.002 0.000 0.879 2007 Q CB 0.113 28.852 28.738 0.001 0.000 0.947 2007 Q HN 0.258 nan 8.270 nan 0.000 0.462 2008 K N 0.880 121.283 120.400 0.004 0.000 1.985 2008 K HA -0.126 4.186 4.320 -0.014 0.000 0.210 2008 K C 1.962 178.566 176.600 0.006 0.000 1.047 2008 K CA 1.294 57.584 56.287 0.005 0.000 0.932 2008 K CB -0.081 32.422 32.500 0.005 0.000 0.716 2008 K HN 0.114 nan 8.250 nan 0.000 0.439 2009 A N 1.088 123.912 122.820 0.006 0.000 2.066 2009 A HA -0.088 4.223 4.320 -0.014 0.000 0.218 2009 A C 1.962 179.551 177.584 0.009 0.000 1.157 2009 A CA 0.909 52.951 52.037 0.008 0.000 0.670 2009 A CB -0.406 18.599 19.000 0.008 0.000 0.804 2009 A HN 0.405 nan 8.150 nan 0.000 0.453 2010 L N -0.128 121.099 121.223 0.007 0.000 1.973 2010 L HA -0.018 4.313 4.340 -0.014 0.000 0.208 2010 L C 2.669 179.545 176.870 0.010 0.000 1.073 2010 L CA 2.341 57.185 54.840 0.007 0.000 0.746 2010 L CB -0.822 41.240 42.059 0.005 0.000 0.891 2010 L HN 0.281 nan 8.230 nan 0.000 0.433 2011 A N -0.271 122.554 122.820 0.009 0.000 1.948 2011 A HA -0.205 4.106 4.320 -0.014 0.000 0.220 2011 A C 2.435 180.026 177.584 0.012 0.000 1.177 2011 A CA 2.126 54.169 52.037 0.010 0.000 0.636 2011 A CB -1.350 17.654 19.000 0.007 0.000 0.815 2011 A HN 0.681 nan 8.150 nan 0.000 0.449 2012 A N -0.324 122.503 122.820 0.011 0.000 1.933 2012 A HA 0.151 4.462 4.320 -0.014 0.000 0.218 2012 A C 2.491 180.084 177.584 0.016 0.000 1.175 2012 A CA 2.113 54.157 52.037 0.012 0.000 0.628 2012 A CB -0.928 18.078 19.000 0.010 0.000 0.814 2012 A HN 1.075 nan 8.150 nan 0.000 0.444 2013 A N -0.740 122.091 122.820 0.019 0.000 1.898 2013 A HA 0.071 4.383 4.320 -0.014 0.000 0.216 2013 A C 2.034 179.638 177.584 0.034 0.000 1.181 2013 A CA 1.509 53.562 52.037 0.026 0.000 0.620 2013 A CB -0.512 18.501 19.000 0.023 0.000 0.819 2013 A HN 0.392 nan 8.150 nan 0.000 0.442 2014 L N -0.079 121.161 121.223 0.028 0.000 2.083 2014 L HA -0.052 4.279 4.340 -0.014 0.000 0.209 2014 L C 2.747 179.638 176.870 0.035 0.000 1.083 2014 L CA 1.733 56.593 54.840 0.033 0.000 0.752 2014 L CB -0.878 41.196 42.059 0.024 0.000 0.899 2014 L HN 0.411 nan 8.230 nan 0.000 0.433 2015 G N -1.209 107.606 108.800 0.025 0.000 2.421 2015 G HA2 -0.362 3.590 3.960 -0.014 0.000 0.216 2015 G HA3 -0.362 3.590 3.960 -0.014 0.000 0.216 2015 G C 1.473 176.385 174.900 0.020 0.000 1.171 2015 G CA 0.915 46.026 45.100 0.019 0.000 0.775 2015 G HN 0.412 nan 8.290 nan 0.000 0.543 2016 Q N 0.649 120.461 119.800 0.021 0.000 2.029 2016 Q HA -0.173 4.158 4.340 -0.014 0.000 0.209 2016 Q C 2.360 178.380 176.000 0.033 0.000 0.999 2016 Q CA 2.067 57.882 55.803 0.019 0.000 0.857 2016 Q CB -0.538 28.216 28.738 0.027 0.000 0.926 2016 Q HN 0.541 nan 8.270 nan 0.000 0.415 2017 I N 0.273 120.890 120.570 0.079 0.000 2.163 2017 I HA -0.265 3.897 4.170 -0.014 0.000 0.243 2017 I C 2.400 178.607 176.117 0.150 0.000 1.085 2017 I CA 1.839 63.238 61.300 0.166 0.000 1.347 2017 I CB -0.399 37.697 38.000 0.159 0.000 1.044 2017 I HN 0.362 nan 8.210 nan 0.000 0.408 2018 E N 0.432 120.684 120.200 0.088 0.000 2.152 2018 E HA -0.165 4.176 4.350 -0.014 0.000 0.192 2018 E C 1.744 178.363 176.600 0.032 0.000 0.983 2018 E CA 0.583 57.027 56.400 0.072 0.000 0.818 2018 E CB 0.010 29.741 29.700 0.052 0.000 0.758 2018 E HN 0.314 nan 8.360 nan 0.000 0.467 2019 K N 0.587 120.988 120.400 0.002 0.000 2.522 2019 K HA 0.003 4.314 4.320 -0.014 0.000 0.194 2019 K C 1.335 177.881 176.600 -0.090 0.000 1.026 2019 K CA 0.231 56.500 56.287 -0.030 0.000 1.119 2019 K CB 0.313 32.798 32.500 -0.025 0.000 0.856 2019 K HN 0.120 nan 8.250 nan 0.000 0.513 2020 Q N -1.538 118.179 119.800 -0.139 0.000 2.459 2020 Q HA 0.112 4.444 4.340 -0.014 0.000 0.260 2020 Q C 0.055 175.707 176.000 -0.580 0.000 0.828 2020 Q CA 0.297 55.861 55.803 -0.399 0.000 0.987 2020 Q CB 0.737 29.152 28.738 -0.538 0.000 1.216 2020 Q HN 0.162 nan 8.270 nan 0.000 0.558 2021 F N 0.022 119.979 119.950 0.011 0.000 2.775 2021 F HA 0.439 4.958 4.527 -0.014 0.000 0.313 2021 F C 0.490 176.300 175.800 0.017 0.000 1.121 2021 F CA 0.238 58.246 58.000 0.014 0.000 1.206 2021 F CB 1.744 40.753 39.000 0.014 0.000 1.052 2021 F HN 0.035 nan 8.300 nan 0.000 0.524 2022 G N 0.305 109.179 108.800 0.123 0.000 2.515 2022 G HA2 -0.126 3.825 3.960 -0.014 0.000 0.686 2022 G HA3 -0.126 3.825 3.960 -0.014 0.000 0.686 2022 G C 0.545 175.487 174.900 0.070 0.000 1.274 2022 G CA -0.902 44.250 45.100 0.087 0.000 0.874 2022 G HN -0.107 nan 8.290 nan 0.000 0.631 2023 K N 0.114 120.544 120.400 0.050 0.000 2.052 2023 K HA -0.159 4.152 4.320 -0.014 0.000 0.215 2023 K C 1.815 178.441 176.600 0.042 0.000 1.053 2023 K CA 2.168 58.478 56.287 0.039 0.000 0.934 2023 K CB -0.367 32.152 32.500 0.032 0.000 0.717 2023 K HN 1.456 nan 8.250 nan 0.000 0.450 2024 G N 0.709 109.538 108.800 0.048 0.000 4.864 2024 G HA2 0.170 4.122 3.960 -0.014 0.000 0.280 2024 G HA3 0.170 4.122 3.960 -0.014 0.000 0.280 2024 G C 0.770 175.701 174.900 0.051 0.000 1.239 2024 G CA 0.149 45.275 45.100 0.044 0.000 0.951 2024 G HN 0.218 nan 8.290 nan 0.000 0.583 2025 S N -0.076 115.665 115.700 0.068 0.000 2.383 2025 S HA 0.112 4.574 4.470 -0.014 0.000 0.227 2025 S C 0.939 175.563 174.600 0.039 0.000 1.026 2025 S CA 0.449 58.690 58.200 0.068 0.000 0.981 2025 S CB 0.266 63.537 63.200 0.118 0.000 0.818 2025 S HN 0.467 nan 8.310 nan 0.000 0.472 2026 I N 1.720 122.316 120.570 0.042 0.000 2.498 2026 I HA 0.614 4.775 4.170 -0.014 0.000 0.290 2026 I C -0.992 175.141 176.117 0.026 0.000 1.032 2026 I CA -1.338 59.979 61.300 0.027 0.000 1.073 2026 I CB 1.746 39.762 38.000 0.026 0.000 1.251 2026 I HN 0.463 nan 8.210 nan 0.000 0.426 2027 M N 4.602 124.214 119.600 0.019 0.000 2.880 2027 M HA 0.572 5.044 4.480 -0.014 0.000 0.269 2027 M C -1.170 175.136 176.300 0.011 0.000 1.248 2027 M CA -1.092 54.217 55.300 0.016 0.000 0.821 2027 M CB 1.415 34.024 32.600 0.016 0.000 1.650 2027 M HN 0.276 nan 8.290 nan 0.000 0.479 2028 R N 1.188 121.692 120.500 0.006 0.000 2.449 2028 R HA 0.250 4.582 4.340 -0.014 0.000 0.296 2028 R C 0.989 177.286 176.300 -0.005 0.000 1.047 2028 R CA -0.111 55.989 56.100 -0.000 0.000 1.018 2028 R CB 0.267 30.566 30.300 -0.003 0.000 0.962 2028 R HN 0.685 nan 8.270 nan 0.000 0.428 2029 L N 2.438 123.653 121.223 -0.013 0.000 2.081 2029 L HA -0.198 4.133 4.340 -0.014 0.000 0.212 2029 L C 1.769 178.624 176.870 -0.024 0.000 1.080 2029 L CA 2.118 56.943 54.840 -0.026 0.000 0.754 2029 L CB -0.404 41.624 42.059 -0.053 0.000 0.893 2029 L HN 0.982 nan 8.230 nan 0.000 0.433 2030 G N -0.445 108.342 108.800 -0.022 0.000 2.471 2030 G HA2 -0.236 3.715 3.960 -0.014 0.000 0.219 2030 G HA3 -0.236 3.715 3.960 -0.014 0.000 0.219 2030 G C 1.231 176.124 174.900 -0.011 0.000 1.125 2030 G CA 0.776 45.865 45.100 -0.019 0.000 0.775 2030 G HN 0.714 nan 8.290 nan 0.000 0.548 2031 E N -0.468 119.728 120.200 -0.007 0.000 2.490 2031 E HA 0.069 4.411 4.350 -0.014 0.000 0.209 2031 E C -0.152 176.449 176.600 0.002 0.000 0.971 2031 E CA -0.435 55.964 56.400 -0.002 0.000 0.988 2031 E CB 0.121 29.822 29.700 -0.000 0.000 1.029 2031 E HN 0.125 nan 8.360 nan 0.000 0.496 2032 D N 1.903 122.304 120.400 0.001 0.000 2.349 2032 D HA 0.006 4.637 4.640 -0.014 0.000 0.266 2032 D C 0.711 177.015 176.300 0.007 0.000 1.293 2032 D CA -0.007 53.997 54.000 0.006 0.000 0.926 2032 D CB 0.744 41.547 40.800 0.006 0.000 1.090 2032 D HN -0.014 nan 8.370 nan 0.000 0.502 2033 R N 1.793 122.300 120.500 0.011 0.000 2.090 2033 R HA -0.080 4.252 4.340 -0.014 0.000 0.228 2033 R C 1.984 178.294 176.300 0.016 0.000 1.110 2033 R CA 0.738 56.845 56.100 0.011 0.000 0.973 2033 R CB -0.902 29.405 30.300 0.011 0.000 0.869 2033 R HN 0.488 nan 8.270 nan 0.000 0.440 2034 S N -0.244 115.469 115.700 0.022 0.000 2.595 2034 S HA -0.079 4.382 4.470 -0.014 0.000 0.235 2034 S C 1.697 176.317 174.600 0.033 0.000 0.974 2034 S CA 0.697 58.915 58.200 0.030 0.000 0.942 2034 S CB -0.044 63.180 63.200 0.039 0.000 0.766 2034 S HN 0.086 nan 8.310 nan 0.000 0.536 2035 M N 1.750 121.363 119.600 0.022 0.000 2.492 2035 M HA 0.283 4.755 4.480 -0.014 0.000 0.255 2035 M C -0.421 175.888 176.300 0.014 0.000 1.139 2035 M CA 0.162 55.473 55.300 0.018 0.000 1.096 2035 M CB 0.112 32.714 32.600 0.003 0.000 1.360 2035 M HN 0.084 nan 8.290 nan 0.000 0.480 2036 D N 0.370 120.777 120.400 0.012 0.000 2.368 2036 D HA 0.116 4.748 4.640 -0.014 0.000 0.240 2036 D C -0.470 175.839 176.300 0.014 0.000 1.169 2036 D CA 0.174 54.180 54.000 0.011 0.000 0.906 2036 D CB 1.094 41.899 40.800 0.009 0.000 1.187 2036 D HN -0.107 nan 8.370 nan 0.000 0.435 2037 V N 1.532 121.453 119.914 0.011 0.000 2.394 2037 V HA 0.192 4.304 4.120 -0.014 0.000 0.282 2037 V C 0.417 176.516 176.094 0.008 0.000 1.031 2037 V CA -0.454 61.852 62.300 0.011 0.000 0.881 2037 V CB 1.515 33.342 31.823 0.007 0.000 0.982 2037 V HN 0.420 nan 8.190 nan 0.000 0.451 2038 E N 2.914 123.119 120.200 0.008 0.000 2.227 2038 E HA 0.671 5.013 4.350 -0.014 0.000 0.268 2038 E C -0.755 175.847 176.600 0.002 0.000 0.907 2038 E CA -0.410 55.993 56.400 0.005 0.000 0.786 2038 E CB 2.318 32.021 29.700 0.006 0.000 1.191 2038 E HN 0.835 nan 8.360 nan 0.000 0.411 2039 T N 0.500 115.054 114.554 -0.000 0.000 2.916 2039 T HA 0.631 4.972 4.350 -0.014 0.000 0.292 2039 T C -0.384 174.312 174.700 -0.006 0.000 1.064 2039 T CA -0.865 61.233 62.100 -0.003 0.000 1.011 2039 T CB 1.075 69.941 68.868 -0.003 0.000 1.152 2039 T HN 0.261 nan 8.240 nan 0.000 0.510 2040 I N 1.647 122.212 120.570 -0.009 0.000 2.545 2040 I HA 0.431 4.592 4.170 -0.014 0.000 0.292 2040 I C 0.732 176.840 176.117 -0.015 0.000 1.040 2040 I CA -0.793 60.499 61.300 -0.014 0.000 1.068 2040 I CB 1.694 39.684 38.000 -0.017 0.000 1.251 2040 I HN 0.953 nan 8.210 nan 0.000 0.424 2041 S N 2.788 118.477 115.700 -0.019 0.000 2.558 2041 S HA 0.047 4.508 4.470 -0.014 0.000 0.288 2041 S C 1.346 175.933 174.600 -0.023 0.000 1.318 2041 S CA 0.411 58.603 58.200 -0.014 0.000 1.056 2041 S CB 0.384 63.568 63.200 -0.027 0.000 0.853 2041 S HN 0.811 nan 8.310 nan 0.000 0.505 2042 T N 1.458 116.003 114.554 -0.016 0.000 3.100 2042 T HA 0.347 4.688 4.350 -0.014 0.000 0.253 2042 T C 1.504 176.172 174.700 -0.054 0.000 1.118 2042 T CA 0.623 62.706 62.100 -0.029 0.000 1.058 2042 T CB -0.355 68.498 68.868 -0.025 0.000 0.953 2042 T HN 1.647 nan 8.240 nan 0.000 0.515 2043 G N 0.780 109.555 108.800 -0.041 0.000 2.199 2043 G HA2 -0.242 3.709 3.960 -0.014 0.000 0.254 2043 G HA3 -0.242 3.709 3.960 -0.014 0.000 0.254 2043 G C 0.194 175.097 174.900 0.006 0.000 0.982 2043 G CA 0.219 45.286 45.100 -0.055 0.000 0.632 2043 G HN 1.094 nan 8.290 nan 0.000 0.529 2044 S N -0.240 115.404 115.700 -0.094 0.000 2.498 2044 S HA 0.632 5.094 4.470 -0.014 0.000 0.317 2044 S C 1.156 175.673 174.600 -0.139 0.000 1.090 2044 S CA 0.028 58.074 58.200 -0.257 0.000 1.089 2044 S CB 1.492 64.326 63.200 -0.610 0.000 0.997 2044 S HN 0.936 nan 8.310 nan 0.000 0.470 2045 L N 5.771 126.800 121.223 -0.323 0.000 2.027 2045 L HA 0.026 4.357 4.340 -0.014 0.000 0.206 2045 L C 2.553 179.326 176.870 -0.162 0.000 1.074 2045 L CA 2.690 57.343 54.840 -0.312 0.000 0.745 2045 L CB -0.955 40.655 42.059 -0.748 0.000 0.898 2045 L HN 0.891 nan 8.230 nan 0.000 0.433 2046 S N -1.193 114.422 115.700 -0.142 0.000 2.423 2046 S HA -0.190 4.271 4.470 -0.014 0.000 0.231 2046 S C 2.088 176.699 174.600 0.017 0.000 1.014 2046 S CA 1.305 59.485 58.200 -0.033 0.000 0.965 2046 S CB -0.978 62.237 63.200 0.025 0.000 0.785 2046 S HN 0.497 nan 8.310 nan 0.000 0.495 2047 L N 1.383 122.622 121.223 0.028 0.000 2.093 2047 L HA -0.084 4.247 4.340 -0.014 0.000 0.208 2047 L C 1.869 178.745 176.870 0.011 0.000 1.085 2047 L CA 1.630 56.500 54.840 0.050 0.000 0.755 2047 L CB -0.409 41.688 42.059 0.064 0.000 0.904 2047 L HN 0.188 nan 8.230 nan 0.000 0.435 2048 D N -0.012 120.384 120.400 -0.007 0.000 2.178 2048 D HA -0.169 4.462 4.640 -0.014 0.000 0.201 2048 D C 2.178 178.477 176.300 -0.002 0.000 0.980 2048 D CA 1.344 55.343 54.000 -0.002 0.000 0.842 2048 D CB 0.003 40.809 40.800 0.011 0.000 0.948 2048 D HN 0.391 nan 8.370 nan 0.000 0.472 2049 I N 0.972 121.539 120.570 -0.006 0.000 2.233 2049 I HA -0.182 3.979 4.170 -0.014 0.000 0.243 2049 I C 2.447 178.565 176.117 0.003 0.000 1.093 2049 I CA 0.886 62.185 61.300 -0.001 0.000 1.380 2049 I CB -0.184 37.814 38.000 -0.004 0.000 1.067 2049 I HN -0.103 nan 8.210 nan 0.000 0.413 2050 A N 0.643 123.466 122.820 0.006 0.000 2.019 2050 A HA -0.132 4.179 4.320 -0.014 0.000 0.219 2050 A C 2.249 179.824 177.584 -0.015 0.000 1.164 2050 A CA 1.319 53.359 52.037 0.005 0.000 0.644 2050 A CB -0.820 18.190 19.000 0.016 0.000 0.805 2050 A HN 0.422 nan 8.150 nan 0.000 0.449 2051 L N -1.632 119.581 121.223 -0.018 0.000 2.465 2051 L HA 0.043 4.375 4.340 -0.014 0.000 0.224 2051 L C 2.207 179.054 176.870 -0.038 0.000 1.145 2051 L CA 0.637 55.456 54.840 -0.035 0.000 0.834 2051 L CB -0.390 41.653 42.059 -0.026 0.000 0.944 2051 L HN 0.616 nan 8.230 nan 0.000 0.451 2052 G N -0.002 108.785 108.800 -0.021 0.000 2.779 2052 G HA2 -0.465 3.486 3.960 -0.014 0.000 0.230 2052 G HA3 -0.465 3.486 3.960 -0.014 0.000 0.230 2052 G C 1.187 176.082 174.900 -0.008 0.000 1.243 2052 G CA 0.661 45.753 45.100 -0.013 0.000 0.769 2052 G HN 0.454 nan 8.290 nan 0.000 0.516 2053 A N 0.149 122.960 122.820 -0.016 0.000 2.119 2053 A HA 0.503 4.814 4.320 -0.014 0.000 0.216 2053 A C 2.795 180.378 177.584 -0.002 0.000 1.152 2053 A CA 2.265 54.296 52.037 -0.009 0.000 0.708 2053 A CB -0.558 18.432 19.000 -0.017 0.000 0.805 2053 A HN 2.679 nan 8.150 nan 0.000 0.460 2054 G N -3.330 105.469 108.800 -0.002 0.000 2.179 2054 G HA2 0.313 4.264 3.960 -0.014 0.000 0.220 2054 G HA3 0.313 4.264 3.960 -0.014 0.000 0.220 2054 G C 0.853 175.756 174.900 0.004 0.000 0.990 2054 G CA 0.336 45.439 45.100 0.005 0.000 0.646 2054 G HN 2.111 nan 8.290 nan 0.000 0.517 2055 G N -1.379 107.419 108.800 -0.003 0.000 2.317 2055 G HA2 0.530 4.481 3.960 -0.014 0.000 0.293 2055 G HA3 0.530 4.481 3.960 -0.014 0.000 0.293 2055 G C -0.931 173.963 174.900 -0.010 0.000 1.287 2055 G CA -0.490 44.607 45.100 -0.005 0.000 0.850 2055 G HN 0.847 nan 8.290 nan 0.000 0.515 2056 L N 2.038 123.256 121.223 -0.009 0.000 2.371 2056 L HA 0.422 4.753 4.340 -0.014 0.000 0.272 2056 L C -1.778 175.088 176.870 -0.006 0.000 1.124 2056 L CA -1.669 53.166 54.840 -0.008 0.000 0.816 2056 L CB 1.523 43.578 42.059 -0.006 0.000 1.129 2056 L HN 0.300 nan 8.230 nan 0.000 0.448 2057 P HA 0.138 nan 4.420 nan 0.000 0.281 2057 P C -0.732 176.573 177.300 0.008 0.000 1.252 2057 P CA -0.477 62.624 63.100 0.002 0.000 0.778 2057 P CB 0.936 32.637 31.700 0.003 0.000 0.895 2058 M N 2.101 121.705 119.600 0.008 0.000 2.238 2058 M HA 0.202 4.674 4.480 -0.014 0.000 0.347 2058 M C 1.589 177.901 176.300 0.019 0.000 1.173 2058 M CA 0.853 56.159 55.300 0.009 0.000 1.147 2058 M CB -0.562 32.042 32.600 0.006 0.000 1.547 2058 M HN 0.835 nan 8.290 nan 0.000 0.455 2059 G N 2.550 111.361 108.800 0.018 0.000 2.148 2059 G HA2 -0.208 3.743 3.960 -0.014 0.000 0.254 2059 G HA3 -0.208 3.743 3.960 -0.014 0.000 0.254 2059 G C 0.245 175.172 174.900 0.045 0.000 0.981 2059 G CA 0.008 45.125 45.100 0.029 0.000 0.670 2059 G HN 0.558 nan 8.290 nan 0.000 0.528 2060 R N -0.935 119.591 120.500 0.044 0.000 2.939 2060 R HA 0.779 5.111 4.340 -0.014 0.000 0.254 2060 R C 0.099 176.443 176.300 0.073 0.000 1.123 2060 R CA -1.077 55.062 56.100 0.066 0.000 1.020 2060 R CB 0.811 31.145 30.300 0.056 0.000 1.206 2060 R HN 0.202 nan 8.270 nan 0.000 0.491 2061 I N 0.767 121.404 120.570 0.111 0.000 2.412 2061 I HA 0.368 4.530 4.170 -0.014 0.000 0.296 2061 I C -0.378 175.820 176.117 0.134 0.000 0.987 2061 I CA -0.847 60.543 61.300 0.151 0.000 1.180 2061 I CB 1.894 40.029 38.000 0.225 0.000 1.340 2061 I HN -0.020 nan 8.210 nan 0.000 0.455 2062 V N 5.192 125.190 119.914 0.140 0.000 2.709 2062 V HA 0.394 4.505 4.120 -0.014 0.000 0.308 2062 V C -0.486 175.709 176.094 0.169 0.000 1.062 2062 V CA -0.687 61.680 62.300 0.112 0.000 0.901 2062 V CB 2.046 33.902 31.823 0.055 0.000 1.003 2062 V HN 0.742 nan 8.190 nan 0.000 0.425 2063 E N 3.785 124.073 120.200 0.146 0.000 2.187 2063 E HA 0.670 5.011 4.350 -0.014 0.000 0.268 2063 E C -1.582 175.100 176.600 0.136 0.000 0.896 2063 E CA -0.626 55.882 56.400 0.179 0.000 0.766 2063 E CB 1.723 31.530 29.700 0.177 0.000 1.142 2063 E HN 0.651 nan 8.360 nan 0.000 0.408 2064 I N 5.408 126.056 120.570 0.130 0.000 2.406 2064 I HA 0.348 4.509 4.170 -0.014 0.000 0.290 2064 I C -0.896 175.299 176.117 0.131 0.000 0.999 2064 I CA -0.974 60.363 61.300 0.061 0.000 1.124 2064 I CB 0.859 38.886 38.000 0.044 0.000 1.289 2064 I HN 0.513 nan 8.210 nan 0.000 0.441 2065 Y N 3.975 124.304 120.300 0.049 0.000 2.605 2065 Y HA 1.005 5.547 4.550 -0.014 0.000 0.343 2065 Y C -0.156 175.789 175.900 0.076 0.000 1.036 2065 Y CA -1.150 56.980 58.100 0.049 0.000 1.065 2065 Y CB 1.964 40.436 38.460 0.021 0.000 1.288 2065 Y HN 0.670 nan 8.280 nan 0.000 0.481 2066 G N 0.548 109.521 108.800 0.288 0.000 2.338 2066 G HA2 0.442 4.394 3.960 -0.014 0.000 0.295 2066 G HA3 0.442 4.394 3.960 -0.014 0.000 0.295 2066 G C -3.518 171.594 174.900 0.354 0.000 1.461 2066 G CA -1.359 43.879 45.100 0.231 0.000 0.817 2066 G HN 0.490 nan 8.290 nan 0.000 0.556 2067 P HA 0.236 nan 4.420 nan 0.000 0.272 2067 P C -0.173 177.145 177.300 0.029 0.000 1.248 2067 P CA -0.107 63.116 63.100 0.204 0.000 0.799 2067 P CB 0.264 32.005 31.700 0.069 0.000 0.997 2068 E N -0.834 119.030 120.200 -0.561 0.000 2.383 2068 E HA 0.260 4.602 4.350 -0.014 0.000 0.264 2068 E C 0.074 176.562 176.600 -0.187 0.000 1.050 2068 E CA -0.456 55.584 56.400 -0.600 0.000 0.896 2068 E CB -0.414 28.678 29.700 -1.014 0.000 0.982 2068 E HN 0.242 nan 8.360 nan 0.000 0.424 2069 S N 0.315 115.968 115.700 -0.078 0.000 3.549 2069 S HA -0.223 4.239 4.470 -0.014 0.000 0.366 2069 S C 0.951 175.585 174.600 0.058 0.000 1.012 2069 S CA 0.901 59.096 58.200 -0.008 0.000 1.141 2069 S CB -1.607 61.565 63.200 -0.047 0.000 0.910 2069 S HN 0.726 nan 8.310 nan 0.000 0.471 2070 S N -0.474 115.271 115.700 0.074 0.000 2.470 2070 S HA 0.453 4.915 4.470 -0.014 0.000 0.222 2070 S C 1.554 176.219 174.600 0.109 0.000 1.024 2070 S CA 0.897 59.148 58.200 0.085 0.000 0.931 2070 S CB 0.652 63.898 63.200 0.077 0.000 0.791 2070 S HN 1.830 nan 8.310 nan 0.000 0.513 2071 G N 0.967 109.846 108.800 0.133 0.000 2.321 2071 G HA2 -0.122 3.830 3.960 -0.014 0.000 0.174 2071 G HA3 -0.122 3.830 3.960 -0.014 0.000 0.174 2071 G C 0.660 175.658 174.900 0.162 0.000 1.008 2071 G CA 0.080 45.281 45.100 0.167 0.000 0.739 2071 G HN 0.403 nan 8.290 nan 0.000 0.502 2072 K N 0.466 120.952 120.400 0.143 0.000 1.987 2072 K HA -0.105 4.206 4.320 -0.014 0.000 0.216 2072 K C 2.587 179.276 176.600 0.149 0.000 1.051 2072 K CA 2.205 58.572 56.287 0.134 0.000 0.942 2072 K CB -0.599 31.982 32.500 0.135 0.000 0.722 2072 K HN 0.315 nan 8.250 nan 0.000 0.444 2073 T N 1.013 115.667 114.554 0.167 0.000 2.607 2073 T HA -0.197 4.144 4.350 -0.014 0.000 0.267 2073 T C 2.102 176.922 174.700 0.201 0.000 1.049 2073 T CA 2.130 64.355 62.100 0.209 0.000 1.162 2073 T CB -0.872 68.118 68.868 0.202 0.000 0.863 2073 T HN 0.275 nan 8.240 nan 0.000 0.424 2074 T N 2.435 117.113 114.554 0.206 0.000 2.597 2074 T HA -0.142 4.200 4.350 -0.014 0.000 0.267 2074 T C 1.929 176.713 174.700 0.140 0.000 1.053 2074 T CA 1.585 63.813 62.100 0.213 0.000 1.165 2074 T CB -0.764 68.269 68.868 0.275 0.000 0.863 2074 T HN 0.243 nan 8.240 nan 0.000 0.427 2075 L N 0.282 121.592 121.223 0.145 0.000 2.013 2075 L HA -0.209 4.123 4.340 -0.014 0.000 0.212 2075 L C 2.689 179.604 176.870 0.074 0.000 1.073 2075 L CA 1.792 56.693 54.840 0.103 0.000 0.753 2075 L CB -0.817 41.322 42.059 0.134 0.000 0.890 2075 L HN 0.288 nan 8.230 nan 0.000 0.432 2076 T N 0.292 114.909 114.554 0.105 0.000 2.624 2076 T HA -0.264 4.078 4.350 -0.014 0.000 0.268 2076 T C 1.832 176.594 174.700 0.104 0.000 1.041 2076 T CA 2.078 64.244 62.100 0.110 0.000 1.159 2076 T CB -0.371 68.596 68.868 0.166 0.000 0.863 2076 T HN 0.308 nan 8.240 nan 0.000 0.434 2077 L N 0.879 122.166 121.223 0.106 0.000 2.079 2077 L HA -0.145 4.186 4.340 -0.014 0.000 0.210 2077 L C 2.991 179.854 176.870 -0.013 0.000 1.081 2077 L CA 1.121 55.981 54.840 0.034 0.000 0.752 2077 L CB -0.616 41.433 42.059 -0.017 0.000 0.896 2077 L HN 0.273 nan 8.230 nan 0.000 0.433 2078 Q N -0.279 119.511 119.800 -0.017 0.000 2.170 2078 Q HA -0.173 4.159 4.340 -0.014 0.000 0.203 2078 Q C 2.419 178.386 176.000 -0.055 0.000 0.976 2078 Q CA 1.942 57.713 55.803 -0.055 0.000 0.858 2078 Q CB -0.515 28.185 28.738 -0.064 0.000 0.907 2078 Q HN 0.622 nan 8.270 nan 0.000 0.433 2079 V N -1.748 118.150 119.914 -0.026 0.000 2.591 2079 V HA -0.123 3.988 4.120 -0.014 0.000 0.249 2079 V C 2.055 178.134 176.094 -0.025 0.000 1.053 2079 V CA 0.891 63.175 62.300 -0.028 0.000 1.068 2079 V CB -0.489 31.326 31.823 -0.012 0.000 0.689 2079 V HN 0.158 nan 8.190 nan 0.000 0.462 2080 I N 1.376 121.942 120.570 -0.007 0.000 2.179 2080 I HA -0.138 4.023 4.170 -0.014 0.000 0.242 2080 I C 3.026 179.122 176.117 -0.034 0.000 1.088 2080 I CA 1.744 63.041 61.300 -0.006 0.000 1.357 2080 I CB -0.792 37.222 38.000 0.023 0.000 1.051 2080 I HN 0.401 nan 8.210 nan 0.000 0.409 2081 A N 0.919 123.707 122.820 -0.052 0.000 1.873 2081 A HA -0.283 4.028 4.320 -0.014 0.000 0.218 2081 A C 2.564 180.100 177.584 -0.080 0.000 1.193 2081 A CA 2.382 54.375 52.037 -0.074 0.000 0.629 2081 A CB -1.157 17.787 19.000 -0.094 0.000 0.826 2081 A HN 0.452 nan 8.150 nan 0.000 0.447 2082 A N -0.342 122.425 122.820 -0.088 0.000 1.892 2082 A HA 0.049 4.361 4.320 -0.014 0.000 0.218 2082 A C 2.533 180.074 177.584 -0.073 0.000 1.188 2082 A CA 2.665 54.643 52.037 -0.098 0.000 0.631 2082 A CB -1.140 17.801 19.000 -0.099 0.000 0.822 2082 A HN 1.247 nan 8.150 nan 0.000 0.447 2083 A N -1.248 121.540 122.820 -0.053 0.000 1.969 2083 A HA -0.161 4.151 4.320 -0.014 0.000 0.218 2083 A C 2.100 179.661 177.584 -0.039 0.000 1.169 2083 A CA 1.547 53.560 52.037 -0.040 0.000 0.635 2083 A CB -0.460 18.523 19.000 -0.029 0.000 0.810 2083 A HN 0.671 nan 8.150 nan 0.000 0.445 2084 Q N -1.291 118.483 119.800 -0.042 0.000 2.172 2084 Q HA -0.092 4.239 4.340 -0.014 0.000 0.200 2084 Q C 2.243 178.216 176.000 -0.045 0.000 0.964 2084 Q CA 1.090 56.869 55.803 -0.040 0.000 0.855 2084 Q CB -0.062 28.651 28.738 -0.041 0.000 0.918 2084 Q HN 0.538 nan 8.270 nan 0.000 0.444 2085 R N 1.145 121.610 120.500 -0.057 0.000 2.152 2085 R HA -0.122 4.209 4.340 -0.014 0.000 0.232 2085 R C 0.988 177.256 176.300 -0.053 0.000 1.117 2085 R CA 1.232 57.294 56.100 -0.062 0.000 0.981 2085 R CB 0.202 30.451 30.300 -0.084 0.000 0.870 2085 R HN 0.279 nan 8.270 nan 0.000 0.451 2086 E N -1.576 118.595 120.200 -0.048 0.000 2.479 2086 E HA 0.190 4.532 4.350 -0.014 0.000 0.193 2086 E C 0.425 177.007 176.600 -0.030 0.000 1.049 2086 E CA 0.390 56.767 56.400 -0.038 0.000 0.870 2086 E CB 0.779 30.457 29.700 -0.036 0.000 0.944 2086 E HN 0.411 nan 8.360 nan 0.000 0.492 2087 G N 2.144 110.925 108.800 -0.030 0.000 2.171 2087 G HA2 -0.292 3.659 3.960 -0.014 0.000 0.238 2087 G HA3 -0.292 3.659 3.960 -0.014 0.000 0.238 2087 G C -0.120 174.768 174.900 -0.020 0.000 1.039 2087 G CA -0.083 45.002 45.100 -0.024 0.000 0.759 2087 G HN 0.130 nan 8.290 nan 0.000 0.501 2088 K N 0.345 120.732 120.400 -0.022 0.000 2.098 2088 K HA 0.537 4.849 4.320 -0.014 0.000 0.261 2088 K C 0.276 176.866 176.600 -0.016 0.000 0.987 2088 K CA -0.315 55.962 56.287 -0.018 0.000 0.916 2088 K CB 0.939 33.428 32.500 -0.018 0.000 1.039 2088 K HN 0.111 nan 8.250 nan 0.000 0.455 2089 T N 1.753 116.299 114.554 -0.013 0.000 2.780 2089 T HA 0.245 4.586 4.350 -0.014 0.000 0.294 2089 T C -0.191 174.504 174.700 -0.009 0.000 0.949 2089 T CA -0.533 61.561 62.100 -0.010 0.000 1.074 2089 T CB 0.107 68.971 68.868 -0.008 0.000 0.910 2089 T HN 0.520 nan 8.240 nan 0.000 0.501 2090 C N 2.379 121.676 119.300 -0.004 0.000 2.562 2090 C HA 0.981 5.433 4.460 -0.014 0.000 0.332 2090 C C 0.424 175.424 174.990 0.017 0.000 1.201 2090 C CA -0.944 58.078 59.018 0.005 0.000 1.803 2090 C CB 0.877 28.627 27.740 0.015 0.000 2.328 2090 C HN 1.045 nan 8.230 nan 0.000 0.500 2091 A N 1.042 123.875 122.820 0.022 0.000 2.475 2091 A HA 0.869 5.180 4.320 -0.014 0.000 0.301 2091 A C -1.504 176.126 177.584 0.077 0.000 1.059 2091 A CA -0.249 51.809 52.037 0.035 0.000 0.710 2091 A CB 1.114 20.108 19.000 -0.011 0.000 1.288 2091 A HN 0.819 nan 8.150 nan 0.000 0.408 2092 F N 2.679 122.587 119.950 -0.069 0.000 2.529 2092 F HA 0.648 5.167 4.527 -0.014 0.000 0.320 2092 F C -0.876 174.873 175.800 -0.086 0.000 1.118 2092 F CA -0.867 57.088 58.000 -0.076 0.000 0.915 2092 F CB 1.627 40.593 39.000 -0.058 0.000 1.161 2092 F HN 0.370 nan 8.300 nan 0.000 0.445 2093 I N 4.667 124.991 120.570 -0.411 0.000 2.412 2093 I HA 0.140 4.302 4.170 -0.014 0.000 0.279 2093 I C -0.316 175.632 176.117 -0.282 0.000 1.063 2093 I CA -0.448 60.697 61.300 -0.257 0.000 1.193 2093 I CB 0.548 38.392 38.000 -0.261 0.000 1.370 2093 I HN 0.515 nan 8.210 nan 0.000 0.479 2094 D N 4.842 125.232 120.400 -0.016 0.000 2.801 2094 D HA 0.312 4.943 4.640 -0.014 0.000 0.232 2094 D C 1.415 177.639 176.300 -0.126 0.000 1.128 2094 D CA 0.045 54.086 54.000 0.068 0.000 1.003 2094 D CB 0.708 41.636 40.800 0.213 0.000 1.110 2094 D HN 0.588 nan 8.370 nan 0.000 0.477 2095 A N 1.689 124.454 122.820 -0.092 0.000 2.019 2095 A HA -0.152 4.159 4.320 -0.014 0.000 0.219 2095 A C 1.956 179.646 177.584 0.176 0.000 1.164 2095 A CA 0.885 52.923 52.037 0.001 0.000 0.644 2095 A CB -0.270 18.739 19.000 0.015 0.000 0.805 2095 A HN 0.503 nan 8.150 nan 0.000 0.449 2096 E N -1.036 119.223 120.200 0.099 0.000 2.418 2096 E HA -0.113 4.229 4.350 -0.014 0.000 0.197 2096 E C -0.502 176.249 176.600 0.252 0.000 1.026 2096 E CA 0.083 56.554 56.400 0.119 0.000 0.862 2096 E CB -0.193 29.510 29.700 0.004 0.000 0.799 2096 E HN 0.692 nan 8.360 nan 0.000 0.518 2097 H N -2.059 117.066 119.070 0.092 0.000 2.677 2097 H HA -0.218 4.329 4.556 -0.014 0.000 0.321 2097 H C 0.139 175.518 175.328 0.084 0.000 1.171 2097 H CA 0.513 56.616 56.048 0.092 0.000 1.139 2097 H CB -1.227 28.591 29.762 0.093 0.000 1.515 2097 H HN 0.292 nan 8.280 nan 0.000 0.423 2098 A N 0.434 123.340 122.820 0.143 0.000 2.664 2098 A HA 0.172 4.484 4.320 -0.014 0.000 0.222 2098 A C 0.591 178.212 177.584 0.061 0.000 1.320 2098 A CA -0.233 51.865 52.037 0.101 0.000 1.029 2098 A CB 0.686 19.739 19.000 0.089 0.000 1.318 2098 A HN 0.174 nan 8.150 nan 0.000 0.589 2099 L N 1.599 122.856 121.223 0.057 0.000 2.462 2099 L HA 0.397 4.728 4.340 -0.014 0.000 0.272 2099 L C -0.523 176.328 176.870 -0.030 0.000 1.166 2099 L CA 0.248 55.078 54.840 -0.018 0.000 0.880 2099 L CB 0.342 42.315 42.059 -0.143 0.000 1.142 2099 L HN 0.207 nan 8.230 nan 0.000 0.473 2100 D N 7.398 127.791 120.400 -0.012 0.000 2.359 2100 D HA 0.309 4.941 4.640 -0.014 0.000 0.230 2100 D C -1.757 174.549 176.300 0.010 0.000 1.118 2100 D CA -2.289 51.717 54.000 0.011 0.000 0.844 2100 D CB 1.501 42.320 40.800 0.031 0.000 1.059 2100 D HN 0.387 nan 8.370 nan 0.000 0.493 2101 P HA -0.176 nan 4.420 nan 0.000 0.215 2101 P C 1.602 178.894 177.300 -0.014 0.000 1.157 2101 P CA 0.880 63.956 63.100 -0.039 0.000 0.868 2101 P CB 0.438 32.118 31.700 -0.034 0.000 0.788 2102 I N -1.524 119.057 120.570 0.018 0.000 2.179 2102 I HA -0.250 3.911 4.170 -0.014 0.000 0.242 2102 I C 2.780 178.930 176.117 0.055 0.000 1.088 2102 I CA 1.481 62.798 61.300 0.029 0.000 1.357 2102 I CB -1.377 36.647 38.000 0.041 0.000 1.051 2102 I HN -0.143 nan 8.210 nan 0.000 0.409 2103 Y N 1.390 121.670 120.300 -0.034 0.000 2.224 2103 Y HA -0.222 4.320 4.550 -0.014 0.000 0.289 2103 Y C 2.484 178.360 175.900 -0.039 0.000 1.146 2103 Y CA 1.198 59.283 58.100 -0.025 0.000 1.182 2103 Y CB -0.454 37.994 38.460 -0.020 0.000 0.983 2103 Y HN 0.123 nan 8.280 nan 0.000 0.524 2104 A N 0.645 123.440 122.820 -0.042 0.000 1.908 2104 A HA -0.232 4.079 4.320 -0.014 0.000 0.218 2104 A C 2.429 179.913 177.584 -0.168 0.000 1.181 2104 A CA 1.874 53.824 52.037 -0.145 0.000 0.627 2104 A CB -0.788 18.126 19.000 -0.144 0.000 0.818 2104 A HN 0.499 nan 8.150 nan 0.000 0.445 2105 R N -0.056 120.373 120.500 -0.119 0.000 2.092 2105 R HA -0.097 4.234 4.340 -0.014 0.000 0.231 2105 R C 1.948 178.173 176.300 -0.125 0.000 1.119 2105 R CA 1.617 57.655 56.100 -0.103 0.000 0.970 2105 R CB -0.260 30.002 30.300 -0.064 0.000 0.864 2105 R HN 0.532 nan 8.270 nan 0.000 0.440 2106 K N 0.349 120.658 120.400 -0.153 0.000 2.209 2106 K HA -0.098 4.214 4.320 -0.014 0.000 0.204 2106 K C 1.949 178.410 176.600 -0.232 0.000 1.048 2106 K CA 1.019 57.205 56.287 -0.169 0.000 0.940 2106 K CB -0.040 32.361 32.500 -0.166 0.000 0.729 2106 K HN 0.261 nan 8.250 nan 0.000 0.451 2107 L N -0.474 120.553 121.223 -0.326 0.000 2.478 2107 L HA 0.023 4.355 4.340 -0.014 0.000 0.223 2107 L C 1.036 177.801 176.870 -0.175 0.000 1.140 2107 L CA 0.569 55.240 54.840 -0.283 0.000 0.842 2107 L CB -0.086 41.773 42.059 -0.333 0.000 0.953 2107 L HN 0.449 nan 8.230 nan 0.000 0.452 2108 G N 0.199 108.910 108.800 -0.149 0.000 2.141 2108 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.195 2108 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.195 2108 G C -0.058 174.781 174.900 -0.102 0.000 1.012 2108 G CA -0.225 44.807 45.100 -0.112 0.000 0.696 2108 G HN 0.045 nan 8.290 nan 0.000 0.508 2109 V N 0.658 120.508 119.914 -0.106 0.000 2.607 2109 V HA 0.457 4.568 4.120 -0.014 0.000 0.289 2109 V C 0.550 176.598 176.094 -0.076 0.000 1.053 2109 V CA -0.421 61.825 62.300 -0.091 0.000 0.996 2109 V CB 1.812 33.572 31.823 -0.104 0.000 0.995 2109 V HN 0.344 nan 8.190 nan 0.000 0.476 2110 D N 3.758 124.121 120.400 -0.062 0.000 2.402 2110 D HA 0.131 4.762 4.640 -0.014 0.000 0.235 2110 D C 1.063 177.334 176.300 -0.050 0.000 1.226 2110 D CA -0.266 53.704 54.000 -0.051 0.000 0.918 2110 D CB 0.518 41.292 40.800 -0.042 0.000 1.043 2110 D HN 0.289 nan 8.370 nan 0.000 0.506 2111 I N 2.600 123.139 120.570 -0.053 0.000 2.226 2111 I HA -0.216 3.945 4.170 -0.014 0.000 0.245 2111 I C 1.382 177.476 176.117 -0.038 0.000 1.100 2111 I CA 0.930 62.198 61.300 -0.053 0.000 1.374 2111 I CB -0.724 37.245 38.000 -0.051 0.000 1.057 2111 I HN 0.339 nan 8.210 nan 0.000 0.413 2112 D N 0.591 120.972 120.400 -0.031 0.000 2.263 2112 D HA -0.129 4.502 4.640 -0.014 0.000 0.208 2112 D C 1.725 178.014 176.300 -0.019 0.000 0.971 2112 D CA 0.917 54.904 54.000 -0.022 0.000 0.867 2112 D CB -0.250 40.538 40.800 -0.020 0.000 0.929 2112 D HN 0.439 nan 8.370 nan 0.000 0.492 2113 N N -0.220 118.467 118.700 -0.021 0.000 2.197 2113 N HA 0.029 4.760 4.740 -0.014 0.000 0.201 2113 N C 0.038 175.540 175.510 -0.014 0.000 1.148 2113 N CA -0.180 52.860 53.050 -0.016 0.000 0.883 2113 N CB 1.374 39.851 38.487 -0.018 0.000 1.012 2113 N HN 0.134 nan 8.380 nan 0.000 0.507 2114 L N 3.247 124.459 121.223 -0.019 0.000 2.385 2114 L HA 0.262 4.593 4.340 -0.014 0.000 0.281 2114 L C -0.134 176.737 176.870 0.002 0.000 1.106 2114 L CA 0.066 54.900 54.840 -0.010 0.000 0.856 2114 L CB 0.094 42.135 42.059 -0.031 0.000 1.186 2114 L HN 0.014 nan 8.230 nan 0.000 0.453 2115 L N 5.369 126.601 121.223 0.015 0.000 2.456 2115 L HA 0.117 4.448 4.340 -0.014 0.000 0.272 2115 L C 0.124 177.022 176.870 0.047 0.000 1.189 2115 L CA 0.170 55.023 54.840 0.021 0.000 0.846 2115 L CB 0.990 43.058 42.059 0.016 0.000 1.111 2115 L HN 0.739 nan 8.230 nan 0.000 0.475 2116 C N 2.818 122.142 119.300 0.041 0.000 2.782 2116 C HA 0.680 5.132 4.460 -0.014 0.000 0.328 2116 C C -0.490 174.523 174.990 0.037 0.000 1.145 2116 C CA -0.420 58.639 59.018 0.068 0.000 1.358 2116 C CB 1.629 29.396 27.740 0.046 0.000 1.841 2116 C HN 0.823 nan 8.230 nan 0.000 0.477 2117 S N 3.647 119.367 115.700 0.033 0.000 2.575 2117 S HA 0.559 5.020 4.470 -0.014 0.000 0.278 2117 S C -1.405 173.162 174.600 -0.055 0.000 1.139 2117 S CA -0.291 57.900 58.200 -0.014 0.000 0.954 2117 S CB 1.482 64.660 63.200 -0.036 0.000 1.054 2117 S HN 0.860 nan 8.310 nan 0.000 0.483 2118 Q N 4.752 124.498 119.800 -0.089 0.000 2.466 2118 Q HA 0.361 4.692 4.340 -0.014 0.000 0.242 2118 Q C -2.299 173.639 176.000 -0.103 0.000 1.046 2118 Q CA -1.910 53.755 55.803 -0.231 0.000 0.841 2118 Q CB 1.342 29.871 28.738 -0.348 0.000 1.193 2118 Q HN 0.501 nan 8.270 nan 0.000 0.508 2119 P HA 0.111 nan 4.420 nan 0.000 0.276 2119 P C -0.377 176.966 177.300 0.072 0.000 1.252 2119 P CA -0.253 62.818 63.100 -0.048 0.000 0.802 2119 P CB 1.420 33.045 31.700 -0.125 0.000 1.035 2120 D N -0.992 119.433 120.400 0.041 0.000 2.269 2120 D HA -0.001 4.630 4.640 -0.014 0.000 0.220 2120 D C 1.011 177.340 176.300 0.048 0.000 0.962 2120 D CA 1.423 55.470 54.000 0.079 0.000 0.884 2120 D CB -0.296 40.551 40.800 0.078 0.000 1.023 2120 D HN 0.506 nan 8.370 nan 0.000 0.484 2121 T N -2.721 111.837 114.554 0.006 0.000 2.948 2121 T HA 0.535 4.876 4.350 -0.014 0.000 0.285 2121 T C 1.396 176.074 174.700 -0.036 0.000 1.019 2121 T CA -0.282 61.815 62.100 -0.004 0.000 1.013 2121 T CB 1.900 70.773 68.868 0.009 0.000 1.117 2121 T HN -0.030 nan 8.240 nan 0.000 0.533 2122 G N 0.116 108.901 108.800 -0.025 0.000 2.402 2122 G HA2 -0.079 3.872 3.960 -0.014 0.000 0.216 2122 G HA3 -0.079 3.872 3.960 -0.014 0.000 0.216 2122 G C 1.164 176.034 174.900 -0.050 0.000 1.162 2122 G CA 0.566 45.648 45.100 -0.029 0.000 0.777 2122 G HN 0.796 nan 8.290 nan 0.000 0.539 2123 E N 0.065 120.242 120.200 -0.040 0.000 2.085 2123 E HA -0.149 4.192 4.350 -0.014 0.000 0.194 2123 E C 2.391 178.936 176.600 -0.092 0.000 0.994 2123 E CA 1.301 57.685 56.400 -0.026 0.000 0.801 2123 E CB -0.222 29.492 29.700 0.024 0.000 0.743 2123 E HN 0.649 nan 8.360 nan 0.000 0.453 2124 Q N 0.295 119.968 119.800 -0.212 0.000 2.030 2124 Q HA -0.235 4.096 4.340 -0.014 0.000 0.204 2124 Q C 2.169 177.844 176.000 -0.541 0.000 0.986 2124 Q CA 1.788 57.169 55.803 -0.703 0.000 0.843 2124 Q CB -0.250 28.048 28.738 -0.733 0.000 0.904 2124 Q HN 0.303 nan 8.270 nan 0.000 0.420 2125 A N 0.726 123.373 122.820 -0.289 0.000 1.892 2125 A HA -0.212 4.100 4.320 -0.014 0.000 0.218 2125 A C 2.071 179.571 177.584 -0.140 0.000 1.188 2125 A CA 1.779 53.702 52.037 -0.191 0.000 0.631 2125 A CB -0.847 18.089 19.000 -0.107 0.000 0.822 2125 A HN 0.472 nan 8.150 nan 0.000 0.447 2126 L N -1.164 120.006 121.223 -0.087 0.000 2.072 2126 L HA -0.104 4.228 4.340 -0.014 0.000 0.205 2126 L C 2.636 179.489 176.870 -0.029 0.000 1.079 2126 L CA 1.065 55.889 54.840 -0.027 0.000 0.752 2126 L CB -0.524 41.540 42.059 0.008 0.000 0.906 2126 L HN 0.276 nan 8.230 nan 0.000 0.436 2127 E N 0.520 120.697 120.200 -0.037 0.000 2.085 2127 E HA -0.215 4.126 4.350 -0.014 0.000 0.194 2127 E C 2.284 178.900 176.600 0.027 0.000 0.994 2127 E CA 1.352 57.774 56.400 0.036 0.000 0.801 2127 E CB -0.192 29.607 29.700 0.165 0.000 0.743 2127 E HN 0.490 nan 8.360 nan 0.000 0.453 2128 I N 0.237 120.765 120.570 -0.071 0.000 2.163 2128 I HA -0.366 3.796 4.170 -0.014 0.000 0.243 2128 I C 2.606 178.703 176.117 -0.033 0.000 1.085 2128 I CA 0.939 62.209 61.300 -0.050 0.000 1.347 2128 I CB -0.301 37.622 38.000 -0.128 0.000 1.044 2128 I HN 0.150 nan 8.210 nan 0.000 0.408 2129 C N 0.355 119.621 119.300 -0.057 0.000 2.393 2129 C HA -0.245 4.206 4.460 -0.014 0.000 0.276 2129 C C 2.600 177.574 174.990 -0.026 0.000 1.215 2129 C CA 1.372 60.356 59.018 -0.057 0.000 1.743 2129 C CB -1.051 26.647 27.740 -0.069 0.000 2.044 2129 C HN 0.546 nan 8.230 nan 0.000 0.464 2130 D N 0.314 120.710 120.400 -0.006 0.000 2.149 2130 D HA -0.106 4.525 4.640 -0.014 0.000 0.198 2130 D C 2.144 178.452 176.300 0.013 0.000 0.990 2130 D CA 1.640 55.644 54.000 0.006 0.000 0.839 2130 D CB -0.192 40.620 40.800 0.020 0.000 0.948 2130 D HN 0.459 nan 8.370 nan 0.000 0.460 2131 A N -0.079 122.756 122.820 0.025 0.000 1.873 2131 A HA -0.080 4.232 4.320 -0.014 0.000 0.215 2131 A C 2.412 180.005 177.584 0.015 0.000 1.186 2131 A CA 1.005 53.060 52.037 0.031 0.000 0.616 2131 A CB -0.776 18.257 19.000 0.055 0.000 0.823 2131 A HN 0.328 nan 8.150 nan 0.000 0.442 2132 L N -0.816 120.408 121.223 0.003 0.000 2.141 2132 L HA -0.146 4.185 4.340 -0.014 0.000 0.209 2132 L C 3.036 179.899 176.870 -0.012 0.000 1.094 2132 L CA 0.788 55.624 54.840 -0.007 0.000 0.763 2132 L CB -0.597 41.449 42.059 -0.021 0.000 0.908 2132 L HN 0.459 nan 8.230 nan 0.000 0.437 2133 A N 0.319 123.130 122.820 -0.015 0.000 1.835 2133 A HA -0.203 4.109 4.320 -0.014 0.000 0.215 2133 A C 2.397 179.977 177.584 -0.007 0.000 1.199 2133 A CA 1.402 53.429 52.037 -0.016 0.000 0.615 2133 A CB -0.569 18.419 19.000 -0.020 0.000 0.838 2133 A HN 0.241 nan 8.150 nan 0.000 0.444 2134 R N 0.166 120.665 120.500 -0.001 0.000 2.139 2134 R HA -0.159 4.173 4.340 -0.014 0.000 0.243 2134 R C 2.601 178.905 176.300 0.007 0.000 1.145 2134 R CA 1.689 57.792 56.100 0.005 0.000 0.976 2134 R CB -0.406 29.900 30.300 0.010 0.000 0.866 2134 R HN 0.770 nan 8.270 nan 0.000 0.449 2135 S N -0.796 114.908 115.700 0.007 0.000 2.400 2135 S HA -0.099 4.362 4.470 -0.014 0.000 0.232 2135 S C 1.651 176.255 174.600 0.006 0.000 1.025 2135 S CA 1.185 59.389 58.200 0.007 0.000 0.993 2135 S CB -0.340 62.864 63.200 0.007 0.000 0.808 2135 S HN 0.541 nan 8.310 nan 0.000 0.478 2136 G N 0.580 109.382 108.800 0.003 0.000 2.155 2136 G HA2 -0.193 3.758 3.960 -0.014 0.000 0.257 2136 G HA3 -0.193 3.758 3.960 -0.014 0.000 0.257 2136 G C 0.782 175.683 174.900 0.001 0.000 0.983 2136 G CA 0.497 45.599 45.100 0.003 0.000 0.676 2136 G HN 1.328 nan 8.290 nan 0.000 0.528 2137 A N -1.156 121.664 122.820 -0.000 0.000 1.956 2137 A HA 0.647 4.958 4.320 -0.014 0.000 0.212 2137 A C 1.244 178.826 177.584 -0.004 0.000 1.188 2137 A CA 1.380 53.416 52.037 -0.001 0.000 0.675 2137 A CB 0.391 19.391 19.000 0.001 0.000 0.845 2137 A HN 0.995 nan 8.150 nan 0.000 0.455 2138 V N 1.385 121.295 119.914 -0.007 0.000 2.567 2138 V HA 0.170 4.281 4.120 -0.014 0.000 0.289 2138 V C 0.293 176.378 176.094 -0.014 0.000 1.049 2138 V CA -0.274 62.019 62.300 -0.012 0.000 0.969 2138 V CB 1.437 33.250 31.823 -0.017 0.000 0.995 2138 V HN 0.442 nan 8.190 nan 0.000 0.471 2139 D N 1.724 122.114 120.400 -0.015 0.000 2.323 2139 D HA 0.103 4.735 4.640 -0.014 0.000 0.218 2139 D C 0.206 176.493 176.300 -0.022 0.000 0.973 2139 D CA 1.029 55.020 54.000 -0.015 0.000 0.890 2139 D CB 1.557 42.349 40.800 -0.013 0.000 1.011 2139 D HN 0.365 nan 8.370 nan 0.000 0.499 2140 V N 1.406 121.305 119.914 -0.026 0.000 2.623 2140 V HA 0.447 4.558 4.120 -0.014 0.000 0.304 2140 V C -1.620 174.444 176.094 -0.050 0.000 1.054 2140 V CA -0.647 61.631 62.300 -0.037 0.000 0.882 2140 V CB 1.827 33.634 31.823 -0.027 0.000 1.002 2140 V HN -0.107 nan 8.190 nan 0.000 0.424 2141 I N 6.811 127.326 120.570 -0.092 0.000 2.465 2141 I HA 0.666 4.828 4.170 -0.014 0.000 0.291 2141 I C -0.578 175.407 176.117 -0.220 0.000 1.014 2141 I CA -1.020 60.197 61.300 -0.139 0.000 1.093 2141 I CB 2.050 39.952 38.000 -0.164 0.000 1.267 2141 I HN 0.563 nan 8.210 nan 0.000 0.431 2142 V N 7.078 126.832 119.914 -0.266 0.000 2.656 2142 V HA 0.609 4.720 4.120 -0.014 0.000 0.307 2142 V C -1.017 174.710 176.094 -0.611 0.000 1.051 2142 V CA -0.380 61.680 62.300 -0.400 0.000 0.893 2142 V CB 2.150 33.807 31.823 -0.277 0.000 0.999 2142 V HN 0.433 nan 8.190 nan 0.000 0.426 2143 V N 5.470 125.033 119.914 -0.585 0.000 2.347 2143 V HA 0.416 4.527 4.120 -0.014 0.000 0.280 2143 V C -0.279 175.592 176.094 -0.373 0.000 1.021 2143 V CA -0.395 61.609 62.300 -0.494 0.000 0.847 2143 V CB 1.349 32.915 31.823 -0.430 0.000 0.990 2143 V HN 0.972 nan 8.190 nan 0.000 0.444 2144 D N 3.544 123.686 120.400 -0.429 0.000 2.365 2144 D HA 0.331 4.963 4.640 -0.014 0.000 0.237 2144 D C 0.060 176.311 176.300 -0.082 0.000 1.190 2144 D CA 0.730 54.601 54.000 -0.214 0.000 0.867 2144 D CB 0.528 41.261 40.800 -0.111 0.000 1.050 2144 D HN 0.646 nan 8.370 nan 0.000 0.491 2145 S N 1.225 116.902 115.700 -0.039 0.000 3.392 2145 S HA -0.147 4.314 4.470 -0.014 0.000 0.693 2145 S C 1.187 175.793 174.600 0.009 0.000 0.620 2145 S CA 0.341 58.521 58.200 -0.033 0.000 1.452 2145 S CB -1.042 62.097 63.200 -0.101 0.000 0.988 2145 S HN 0.536 nan 8.310 nan 0.000 0.932 2146 V N 2.280 122.220 119.914 0.043 0.000 2.594 2146 V HA -0.042 4.070 4.120 -0.014 0.000 0.253 2146 V C 2.345 178.436 176.094 -0.004 0.000 1.069 2146 V CA 2.370 64.693 62.300 0.038 0.000 1.082 2146 V CB -1.131 30.679 31.823 -0.021 0.000 0.680 2146 V HN 1.445 nan 8.190 nan 0.000 0.469 2147 A N 0.872 123.672 122.820 -0.034 0.000 1.958 2147 A HA -0.089 4.223 4.320 -0.014 0.000 0.221 2147 A C 2.355 179.983 177.584 0.074 0.000 1.178 2147 A CA 2.592 54.616 52.037 -0.022 0.000 0.642 2147 A CB -1.054 17.883 19.000 -0.106 0.000 0.816 2147 A HN 1.283 nan 8.150 nan 0.000 0.453 2148 A N -1.636 121.228 122.820 0.073 0.000 2.275 2148 A HA 0.453 4.764 4.320 -0.014 0.000 0.212 2148 A C 0.541 178.187 177.584 0.103 0.000 1.201 2148 A CA -0.102 52.028 52.037 0.155 0.000 0.843 2148 A CB -0.189 18.898 19.000 0.145 0.000 0.873 2148 A HN 0.281 nan 8.150 nan 0.000 0.492 2149 L N 2.371 123.628 121.223 0.057 0.000 2.376 2149 L HA 0.132 4.464 4.340 -0.014 0.000 0.250 2149 L C 0.186 177.066 176.870 0.016 0.000 1.335 2149 L CA 0.576 55.435 54.840 0.032 0.000 1.214 2149 L CB -1.112 40.960 42.059 0.022 0.000 1.395 2149 L HN 0.101 nan 8.230 nan 0.000 0.424 2150 T N 3.030 117.598 114.554 0.024 0.000 2.769 2150 T HA 0.191 4.532 4.350 -0.014 0.000 0.293 2150 T C -2.144 172.538 174.700 -0.030 0.000 0.931 2150 T CA -1.008 61.091 62.100 -0.002 0.000 1.139 2150 T CB 0.343 69.215 68.868 0.007 0.000 0.881 2150 T HN 0.171 nan 8.240 nan 0.000 0.532 2151 P HA 0.084 nan 4.420 nan 0.000 0.268 2151 P C 0.999 178.243 177.300 -0.093 0.000 1.208 2151 P CA -0.417 62.635 63.100 -0.082 0.000 0.777 2151 P CB 0.737 32.364 31.700 -0.121 0.000 0.875 2152 K N 2.343 122.704 120.400 -0.065 0.000 2.009 2152 K HA -0.230 4.081 4.320 -0.014 0.000 0.210 2152 K C 1.823 178.377 176.600 -0.076 0.000 1.049 2152 K CA 1.996 58.258 56.287 -0.042 0.000 0.929 2152 K CB -0.715 31.779 32.500 -0.009 0.000 0.714 2152 K HN 0.470 nan 8.250 nan 0.000 0.440 2153 A N 0.916 123.662 122.820 -0.123 0.000 2.024 2153 A HA -0.224 4.087 4.320 -0.014 0.000 0.220 2153 A C 1.934 179.350 177.584 -0.281 0.000 1.164 2153 A CA 1.912 53.859 52.037 -0.151 0.000 0.643 2153 A CB -0.485 18.430 19.000 -0.142 0.000 0.806 2153 A HN 0.599 nan 8.150 nan 0.000 0.451 2154 E N -0.163 119.770 120.200 -0.445 0.000 2.072 2154 E HA -0.116 4.226 4.350 -0.014 0.000 0.190 2154 E C 1.757 178.314 176.600 -0.071 0.000 0.982 2154 E CA 1.188 57.347 56.400 -0.402 0.000 0.803 2154 E CB -0.208 29.300 29.700 -0.320 0.000 0.755 2154 E HN 0.675 nan 8.360 nan 0.000 0.453 2155 I N 0.917 121.451 120.570 -0.061 0.000 2.286 2155 I HA -0.194 3.967 4.170 -0.014 0.000 0.245 2155 I C 2.212 178.334 176.117 0.009 0.000 1.104 2155 I CA 1.084 62.377 61.300 -0.011 0.000 1.397 2155 I CB -0.236 37.759 38.000 -0.009 0.000 1.072 2155 I HN 0.109 nan 8.210 nan 0.000 0.417 2156 E N 1.059 121.260 120.200 0.002 0.000 2.150 2156 E HA -0.039 4.302 4.350 -0.014 0.000 0.193 2156 E C 1.422 178.049 176.600 0.045 0.000 0.985 2156 E CA 0.583 56.996 56.400 0.020 0.000 0.814 2156 E CB -0.140 29.568 29.700 0.014 0.000 0.752 2156 E HN 0.524 nan 8.360 nan 0.000 0.466 2157 G N 0.883 109.728 108.800 0.076 0.000 2.621 2157 G HA2 0.095 4.047 3.960 -0.014 0.000 0.271 2157 G HA3 0.095 4.047 3.960 -0.014 0.000 0.271 2157 G C -0.111 174.853 174.900 0.105 0.000 1.236 2157 G CA -0.510 44.667 45.100 0.130 0.000 0.958 2157 G HN -0.009 nan 8.290 nan 0.000 0.512 2158 E N -1.458 118.798 120.200 0.094 0.000 2.359 2158 E HA 0.302 4.643 4.350 -0.014 0.000 0.255 2158 E C -0.242 176.407 176.600 0.081 0.000 1.191 2158 E CA -0.516 55.931 56.400 0.079 0.000 0.952 2158 E CB 1.468 31.208 29.700 0.067 0.000 1.152 2158 E HN 0.221 nan 8.360 nan 0.000 0.496 2159 I N 0.916 121.528 120.570 0.070 0.000 2.396 2159 I HA 0.175 4.336 4.170 -0.014 0.000 0.289 2159 I C 1.068 177.207 176.117 0.036 0.000 1.056 2159 I CA 0.801 62.131 61.300 0.050 0.000 1.365 2159 I CB 0.658 38.680 38.000 0.036 0.000 1.407 2159 I HN 0.854 nan 8.210 nan 0.000 0.509 2160 G N 4.354 113.162 108.800 0.012 0.000 2.436 2160 G HA2 -0.215 3.736 3.960 -0.014 0.000 0.204 2160 G HA3 -0.215 3.736 3.960 -0.014 0.000 0.204 2160 G C 0.008 174.877 174.900 -0.052 0.000 1.026 2160 G CA -0.672 44.421 45.100 -0.011 0.000 0.658 2160 G HN 0.526 nan 8.290 nan 0.000 0.499 2161 D N 2.317 122.679 120.400 -0.064 0.000 2.520 2161 D HA 0.430 5.062 4.640 -0.014 0.000 0.243 2161 D C 0.903 176.969 176.300 -0.391 0.000 1.160 2161 D CA 1.134 55.018 54.000 -0.194 0.000 0.877 2161 D CB 1.014 41.728 40.800 -0.143 0.000 1.150 2161 D HN 0.628 nan 8.370 nan 0.000 0.494 2162 S N 3.026 118.504 115.700 -0.370 0.000 2.475 2162 S HA 0.300 4.761 4.470 -0.014 0.000 0.281 2162 S C -0.265 174.071 174.600 -0.440 0.000 1.198 2162 S CA -0.858 57.157 58.200 -0.308 0.000 1.063 2162 S CB 0.941 64.060 63.200 -0.136 0.000 0.972 2162 S HN 0.381 nan 8.310 nan 0.000 0.486 2163 H N 3.322 122.390 119.070 -0.004 0.000 2.539 2163 H HA 0.274 4.821 4.556 -0.014 0.000 0.247 2163 H C -0.412 174.912 175.328 -0.008 0.000 1.363 2163 H CA -0.441 55.604 56.048 -0.005 0.000 1.371 2163 H CB 0.190 29.949 29.762 -0.005 0.000 1.438 2163 H HN 0.569 nan 8.280 nan 0.000 0.523 2164 M N 0.859 120.489 119.600 0.051 0.000 2.338 2164 M HA -0.010 4.461 4.480 -0.014 0.000 0.360 2164 M C 1.296 177.616 176.300 0.034 0.000 1.547 2164 M CA 0.745 56.062 55.300 0.029 0.000 1.001 2164 M CB 0.393 32.998 32.600 0.009 0.000 2.008 2164 M HN 0.869 nan 8.290 nan 0.000 0.464 2165 G N 3.616 112.430 108.800 0.024 0.000 2.468 2165 G HA2 -0.278 3.673 3.960 -0.014 0.000 0.311 2165 G HA3 -0.278 3.673 3.960 -0.014 0.000 0.311 2165 G C 0.720 175.628 174.900 0.015 0.000 0.942 2165 G CA 0.733 45.841 45.100 0.013 0.000 0.893 2165 G HN 0.831 nan 8.290 nan 0.000 0.513 2166 L N -0.741 120.501 121.223 0.033 0.000 2.072 2166 L HA 0.192 4.524 4.340 -0.014 0.000 0.205 2166 L C 3.068 179.933 176.870 -0.007 0.000 1.079 2166 L CA 2.062 56.914 54.840 0.020 0.000 0.752 2166 L CB -0.380 41.703 42.059 0.040 0.000 0.906 2166 L HN 0.372 nan 8.230 nan 0.000 0.436 2167 A N -0.161 122.654 122.820 -0.008 0.000 1.883 2167 A HA -0.233 4.078 4.320 -0.014 0.000 0.217 2167 A C 2.415 179.980 177.584 -0.033 0.000 1.186 2167 A CA 1.910 53.932 52.037 -0.025 0.000 0.624 2167 A CB -1.061 17.927 19.000 -0.019 0.000 0.822 2167 A HN 0.542 nan 8.150 nan 0.000 0.444 2168 A N -0.637 122.167 122.820 -0.026 0.000 1.930 2168 A HA -0.143 4.169 4.320 -0.014 0.000 0.217 2168 A C 2.237 179.803 177.584 -0.031 0.000 1.175 2168 A CA 1.756 53.774 52.037 -0.031 0.000 0.627 2168 A CB -0.449 18.540 19.000 -0.019 0.000 0.815 2168 A HN 0.556 nan 8.150 nan 0.000 0.443 2169 R N -0.921 119.566 120.500 -0.021 0.000 2.115 2169 R HA -0.041 4.290 4.340 -0.014 0.000 0.230 2169 R C 2.177 178.461 176.300 -0.027 0.000 1.111 2169 R CA 1.484 57.572 56.100 -0.019 0.000 0.976 2169 R CB -0.290 30.004 30.300 -0.010 0.000 0.870 2169 R HN 0.628 nan 8.270 nan 0.000 0.445 2170 M N -0.333 119.248 119.600 -0.033 0.000 2.099 2170 M HA -0.175 4.296 4.480 -0.014 0.000 0.262 2170 M C 1.744 178.010 176.300 -0.058 0.000 1.067 2170 M CA 1.483 56.761 55.300 -0.037 0.000 1.124 2170 M CB 0.039 32.617 32.600 -0.037 0.000 1.353 2170 M HN 0.209 nan 8.290 nan 0.000 0.410 2171 M N -0.407 119.146 119.600 -0.078 0.000 2.108 2171 M HA -0.194 4.277 4.480 -0.014 0.000 0.261 2171 M C 2.370 178.584 176.300 -0.142 0.000 1.066 2171 M CA 1.579 56.802 55.300 -0.128 0.000 1.107 2171 M CB -1.358 31.155 32.600 -0.145 0.000 1.356 2171 M HN 0.347 nan 8.290 nan 0.000 0.406 2172 S N -0.234 115.409 115.700 -0.094 0.000 2.382 2172 S HA -0.180 4.282 4.470 -0.014 0.000 0.228 2172 S C 1.849 176.389 174.600 -0.100 0.000 1.027 2172 S CA 1.265 59.416 58.200 -0.083 0.000 0.991 2172 S CB -0.126 63.057 63.200 -0.028 0.000 0.823 2172 S HN 0.511 nan 8.310 nan 0.000 0.469 2173 Q N 0.207 119.966 119.800 -0.068 0.000 2.083 2173 Q HA -0.029 4.303 4.340 -0.014 0.000 0.198 2173 Q C 2.208 178.160 176.000 -0.079 0.000 0.969 2173 Q CA 1.204 56.979 55.803 -0.046 0.000 0.838 2173 Q CB -0.332 28.403 28.738 -0.005 0.000 0.900 2173 Q HN 0.576 nan 8.270 nan 0.000 0.436 2174 A N 0.946 123.708 122.820 -0.097 0.000 1.883 2174 A HA -0.221 4.091 4.320 -0.014 0.000 0.217 2174 A C 2.045 179.526 177.584 -0.171 0.000 1.186 2174 A CA 1.661 53.641 52.037 -0.095 0.000 0.624 2174 A CB -0.538 18.419 19.000 -0.072 0.000 0.822 2174 A HN 0.393 nan 8.150 nan 0.000 0.444 2175 M N -0.426 118.979 119.600 -0.326 0.000 2.073 2175 M HA -0.183 4.288 4.480 -0.014 0.000 0.258 2175 M C 2.166 178.111 176.300 -0.592 0.000 1.070 2175 M CA 1.754 56.661 55.300 -0.655 0.000 1.103 2175 M CB -1.458 30.393 32.600 -1.248 0.000 1.321 2175 M HN 0.426 nan 8.290 nan 0.000 0.405 2176 R N -0.010 120.256 120.500 -0.390 0.000 2.113 2176 R HA -0.181 4.150 4.340 -0.014 0.000 0.244 2176 R C 2.291 178.559 176.300 -0.053 0.000 1.142 2176 R CA 1.628 57.671 56.100 -0.096 0.000 0.953 2176 R CB -0.346 29.943 30.300 -0.018 0.000 0.860 2176 R HN 0.454 nan 8.270 nan 0.000 0.438 2177 K N 0.303 120.661 120.400 -0.069 0.000 2.103 2177 K HA -0.059 4.252 4.320 -0.014 0.000 0.204 2177 K C 2.138 178.709 176.600 -0.047 0.000 1.052 2177 K CA 0.985 57.248 56.287 -0.040 0.000 0.945 2177 K CB -0.001 32.486 32.500 -0.021 0.000 0.722 2177 K HN 0.180 nan 8.250 nan 0.000 0.443 2178 L N 0.254 121.439 121.223 -0.063 0.000 2.131 2178 L HA -0.052 4.279 4.340 -0.014 0.000 0.206 2178 L C 2.586 179.424 176.870 -0.052 0.000 1.087 2178 L CA 0.629 55.444 54.840 -0.042 0.000 0.767 2178 L CB -0.596 41.458 42.059 -0.009 0.000 0.917 2178 L HN 0.138 nan 8.230 nan 0.000 0.441 2179 A N 0.923 123.716 122.820 -0.044 0.000 1.884 2179 A HA -0.242 4.069 4.320 -0.014 0.000 0.219 2179 A C 2.384 179.808 177.584 -0.268 0.000 1.197 2179 A CA 2.276 54.297 52.037 -0.027 0.000 0.637 2179 A CB -1.489 17.604 19.000 0.154 0.000 0.827 2179 A HN 0.445 nan 8.150 nan 0.000 0.450 2180 G N -0.693 107.886 108.800 -0.367 0.000 2.446 2180 G HA2 -0.297 3.655 3.960 -0.014 0.000 0.217 2180 G HA3 -0.297 3.655 3.960 -0.014 0.000 0.217 2180 G C 1.434 176.171 174.900 -0.271 0.000 1.168 2180 G CA 1.147 45.911 45.100 -0.560 0.000 0.771 2180 G HN 0.725 nan 8.290 nan 0.000 0.551 2181 N N -0.235 118.384 118.700 -0.134 0.000 2.309 2181 N HA 0.057 4.788 4.740 -0.014 0.000 0.182 2181 N C 2.111 177.591 175.510 -0.051 0.000 1.018 2181 N CA 0.181 53.192 53.050 -0.065 0.000 0.876 2181 N CB -0.053 38.413 38.487 -0.036 0.000 0.972 2181 N HN 0.251 nan 8.380 nan 0.000 0.434 2182 L N 0.294 121.481 121.223 -0.061 0.000 2.162 2182 L HA -0.036 4.295 4.340 -0.014 0.000 0.205 2182 L C 2.322 179.185 176.870 -0.012 0.000 1.086 2182 L CA 0.741 55.564 54.840 -0.028 0.000 0.778 2182 L CB -0.068 41.985 42.059 -0.011 0.000 0.928 2182 L HN 0.020 nan 8.230 nan 0.000 0.446 2183 K N 0.566 120.951 120.400 -0.024 0.000 2.031 2183 K HA -0.154 4.157 4.320 -0.014 0.000 0.205 2183 K C 2.042 178.673 176.600 0.052 0.000 1.049 2183 K CA 1.514 57.828 56.287 0.045 0.000 0.939 2183 K CB -0.159 32.430 32.500 0.149 0.000 0.717 2183 K HN 0.099 nan 8.250 nan 0.000 0.438 2184 Q N -0.423 119.398 119.800 0.035 0.000 2.437 2184 Q HA 0.037 4.368 4.340 -0.014 0.000 0.210 2184 Q C 1.034 177.050 176.000 0.028 0.000 0.972 2184 Q CA 1.307 57.138 55.803 0.046 0.000 0.903 2184 Q CB 0.230 28.997 28.738 0.048 0.000 0.967 2184 Q HN 0.219 nan 8.270 nan 0.000 0.486 2185 S N -0.014 115.694 115.700 0.015 0.000 2.524 2185 S HA 0.041 4.503 4.470 -0.014 0.000 0.215 2185 S C 0.225 174.831 174.600 0.010 0.000 0.986 2185 S CA -0.194 58.012 58.200 0.010 0.000 0.911 2185 S CB 0.316 63.516 63.200 0.000 0.000 0.805 2185 S HN 0.408 nan 8.310 nan 0.000 0.501 2186 N N 2.526 121.235 118.700 0.016 0.000 2.714 2186 N HA -0.138 4.594 4.740 -0.014 0.000 0.253 2186 N C -1.348 174.165 175.510 0.006 0.000 1.024 2186 N CA 0.742 53.802 53.050 0.016 0.000 0.726 2186 N CB -1.465 37.032 38.487 0.016 0.000 0.908 2186 N HN 0.287 nan 8.380 nan 0.000 0.542 2187 T N 1.106 115.660 114.554 0.001 0.000 2.779 2187 T HA 0.466 4.807 4.350 -0.014 0.000 0.280 2187 T C 0.219 174.911 174.700 -0.014 0.000 0.987 2187 T CA -0.723 61.370 62.100 -0.011 0.000 0.966 2187 T CB 1.751 70.608 68.868 -0.019 0.000 0.933 2187 T HN 0.280 nan 8.240 nan 0.000 0.442 2188 L N 4.268 125.479 121.223 -0.020 0.000 2.349 2188 L HA 0.620 4.952 4.340 -0.014 0.000 0.275 2188 L C -0.963 175.873 176.870 -0.057 0.000 1.115 2188 L CA -0.330 54.495 54.840 -0.024 0.000 0.820 2188 L CB 0.456 42.503 42.059 -0.020 0.000 1.135 2188 L HN 0.642 nan 8.230 nan 0.000 0.445 2189 L N 6.542 127.727 121.223 -0.063 0.000 2.376 2189 L HA 0.553 4.884 4.340 -0.014 0.000 0.275 2189 L C -1.150 175.625 176.870 -0.159 0.000 0.987 2189 L CA -0.461 54.284 54.840 -0.158 0.000 0.828 2189 L CB 1.418 43.375 42.059 -0.169 0.000 1.249 2189 L HN 0.657 nan 8.230 nan 0.000 0.409 2190 I N 4.321 124.751 120.570 -0.235 0.000 2.339 2190 I HA 0.311 4.472 4.170 -0.014 0.000 0.290 2190 I C -0.891 175.052 176.117 -0.290 0.000 0.994 2190 I CA -0.321 60.889 61.300 -0.151 0.000 1.191 2190 I CB 1.420 39.373 38.000 -0.079 0.000 1.343 2190 I HN 0.377 nan 8.210 nan 0.000 0.458 2191 F N 6.476 126.402 119.950 -0.040 0.000 2.404 2191 F HA 0.472 4.990 4.527 -0.014 0.000 0.354 2191 F C 0.408 176.192 175.800 -0.026 0.000 1.122 2191 F CA -0.439 57.531 58.000 -0.050 0.000 1.080 2191 F CB 0.956 39.935 39.000 -0.034 0.000 1.131 2191 F HN 0.216 nan 8.300 nan 0.000 0.471 2192 I N 3.474 124.109 120.570 0.109 0.000 2.428 2192 I HA 0.206 4.367 4.170 -0.014 0.000 0.289 2192 I C -0.175 175.998 176.117 0.094 0.000 1.019 2192 I CA -0.072 61.282 61.300 0.091 0.000 1.351 2192 I CB 1.085 39.112 38.000 0.044 0.000 1.412 2192 I HN 0.655 nan 8.210 nan 0.000 0.513 2193 N N 4.121 122.882 118.700 0.101 0.000 2.262 2193 N HA 0.382 5.113 4.740 -0.014 0.000 0.295 2193 N C -1.289 174.214 175.510 -0.011 0.000 1.161 2193 N CA -0.697 52.375 53.050 0.036 0.000 0.767 2193 N CB 1.778 40.293 38.487 0.046 0.000 1.499 2193 N HN 0.539 nan 8.380 nan 0.000 0.476 2194 Q N 0.897 120.576 119.800 -0.203 0.000 2.180 2194 Q HA 0.499 4.831 4.340 -0.014 0.000 0.241 2194 Q C -0.640 175.168 176.000 -0.321 0.000 0.970 2194 Q CA -0.635 54.860 55.803 -0.512 0.000 0.919 2194 Q CB 2.040 30.089 28.738 -1.148 0.000 1.222 2194 Q HN 0.475 nan 8.270 nan 0.000 0.482 2195 I N 1.493 121.905 120.570 -0.263 0.000 2.359 2195 I HA 0.357 4.518 4.170 -0.014 0.000 0.294 2195 I C -0.094 176.002 176.117 -0.036 0.000 0.987 2195 I CA -0.682 60.603 61.300 -0.026 0.000 1.225 2195 I CB 0.824 38.940 38.000 0.194 0.000 1.366 2195 I HN 0.324 nan 8.210 nan 0.000 0.466 2196 R N 4.698 125.169 120.500 -0.048 0.000 2.873 2196 R HA 0.626 4.957 4.340 -0.014 0.000 0.264 2196 R C -0.904 175.394 176.300 -0.004 0.000 1.026 2196 R CA -1.332 54.759 56.100 -0.015 0.000 1.002 2196 R CB 1.668 31.941 30.300 -0.045 0.000 1.174 2196 R HN 0.414 nan 8.270 nan 0.000 0.488 2197 M N 1.791 121.393 119.600 0.005 0.000 2.264 2197 M HA 0.264 4.735 4.480 -0.014 0.000 0.352 2197 M C -0.208 176.076 176.300 -0.026 0.000 1.173 2197 M CA -0.211 55.086 55.300 -0.006 0.000 1.075 2197 M CB 0.943 33.545 32.600 0.003 0.000 1.621 2197 M HN 0.267 nan 8.290 nan 0.000 0.457 2198 K N 4.976 125.351 120.400 -0.041 0.000 2.183 2198 K HA 0.555 4.866 4.320 -0.014 0.000 0.274 2198 K C -0.831 175.734 176.600 -0.059 0.000 1.009 2198 K CA -0.575 55.682 56.287 -0.051 0.000 0.888 2198 K CB 1.291 33.755 32.500 -0.061 0.000 1.078 2198 K HN 0.864 nan 8.250 nan 0.000 0.459 2199 I N 0.276 120.816 120.570 -0.049 0.000 2.412 2199 I HA 0.467 4.628 4.170 -0.014 0.000 0.296 2199 I C 0.333 176.417 176.117 -0.054 0.000 0.987 2199 I CA 0.278 61.549 61.300 -0.048 0.000 1.180 2199 I CB 1.306 39.288 38.000 -0.031 0.000 1.340 2199 I HN 1.001 nan 8.210 nan 0.000 0.455 2200 G N 4.719 113.481 108.800 -0.062 0.000 2.142 2200 G HA2 -0.171 3.780 3.960 -0.014 0.000 0.225 2200 G HA3 -0.171 3.780 3.960 -0.014 0.000 0.225 2200 G C -0.538 174.298 174.900 -0.106 0.000 1.015 2200 G CA 0.100 45.164 45.100 -0.060 0.000 0.716 2200 G HN 0.934 nan 8.290 nan 0.000 0.508 2201 V N 1.922 121.727 119.914 -0.182 0.000 2.483 2201 V HA 0.738 4.850 4.120 -0.014 0.000 0.297 2201 V C 1.046 176.923 176.094 -0.361 0.000 1.027 2201 V CA -0.256 61.810 62.300 -0.390 0.000 0.855 2201 V CB 1.364 32.893 31.823 -0.490 0.000 0.995 2201 V HN 0.318 nan 8.190 nan 0.000 0.424 2202 M N 6.072 125.446 119.600 -0.377 0.000 2.740 2202 M HA 0.276 4.748 4.480 -0.014 0.000 0.253 2202 M C 0.755 177.002 176.300 -0.089 0.000 1.341 2202 M CA 0.574 55.784 55.300 -0.149 0.000 1.176 2202 M CB -0.515 32.076 32.600 -0.015 0.000 1.310 2202 M HN 0.578 nan 8.290 nan 0.000 0.531 2203 F N 1.829 121.784 119.950 0.008 0.000 2.331 2203 F HA 0.687 5.206 4.527 -0.014 0.000 0.293 2203 F C 1.307 177.113 175.800 0.009 0.000 1.277 2203 F CA -0.341 57.664 58.000 0.008 0.000 1.204 2203 F CB -1.072 37.931 39.000 0.005 0.000 1.374 2203 F HN 0.425 nan 8.300 nan 0.000 0.520 2204 G N 0.947 109.933 108.800 0.310 0.000 2.578 2204 G HA2 -0.267 3.684 3.960 -0.014 0.000 0.284 2204 G HA3 -0.267 3.684 3.960 -0.014 0.000 0.284 2204 G C -0.723 174.191 174.900 0.024 0.000 1.283 2204 G CA 0.229 45.437 45.100 0.181 0.000 0.944 2204 G HN 1.463 nan 8.290 nan 0.000 0.558 2205 N N 1.013 119.714 118.700 0.003 0.000 2.370 2205 N HA 0.587 5.318 4.740 -0.014 0.000 0.303 2205 N C -2.188 173.286 175.510 -0.060 0.000 1.103 2205 N CA -1.668 51.373 53.050 -0.016 0.000 0.848 2205 N CB 2.289 40.789 38.487 0.022 0.000 1.235 2205 N HN 0.332 nan 8.380 nan 0.000 0.496 2206 P HA 0.246 nan 4.420 nan 0.000 0.253 2206 P C -0.741 176.534 177.300 -0.042 0.000 1.459 2206 P CA 0.213 63.269 63.100 -0.072 0.000 0.908 2206 P CB 0.159 31.823 31.700 -0.060 0.000 1.470 2207 E N -0.114 120.070 120.200 -0.027 0.000 2.191 2207 E HA 0.430 4.772 4.350 -0.014 0.000 0.278 2207 E C -0.044 176.517 176.600 -0.065 0.000 0.972 2207 E CA -0.317 56.070 56.400 -0.022 0.000 0.804 2207 E CB 1.512 31.221 29.700 0.015 0.000 1.110 2207 E HN 0.056 nan 8.360 nan 0.000 0.394 2208 T N 0.052 114.555 114.554 -0.086 0.000 2.604 2208 T HA 0.499 4.840 4.350 -0.014 0.000 0.267 2208 T C -0.373 174.214 174.700 -0.190 0.000 0.923 2208 T CA -0.724 61.293 62.100 -0.138 0.000 1.077 2208 T CB 1.651 70.460 68.868 -0.099 0.000 1.392 2208 T HN 0.272 nan 8.240 nan 0.000 0.531 2209 T N 1.857 116.293 114.554 -0.197 0.000 2.916 2209 T HA 0.564 4.906 4.350 -0.014 0.000 0.298 2209 T C -0.554 174.059 174.700 -0.144 0.000 1.031 2209 T CA -0.568 61.401 62.100 -0.219 0.000 0.993 2209 T CB 1.347 70.028 68.868 -0.312 0.000 1.045 2209 T HN 0.755 nan 8.240 nan 0.000 0.454 2210 T N 1.294 115.769 114.554 -0.131 0.000 2.900 2210 T HA 0.472 4.813 4.350 -0.014 0.000 0.307 2210 T C 1.314 175.959 174.700 -0.093 0.000 1.065 2210 T CA 0.367 62.408 62.100 -0.098 0.000 1.105 2210 T CB 0.549 69.363 68.868 -0.091 0.000 0.979 2210 T HN 1.175 nan 8.240 nan 0.000 0.544 2211 G N 0.579 109.335 108.800 -0.073 0.000 2.165 2211 G HA2 0.254 4.205 3.960 -0.014 0.000 0.226 2211 G HA3 0.254 4.205 3.960 -0.014 0.000 0.226 2211 G C 0.711 175.569 174.900 -0.071 0.000 1.035 2211 G CA 0.080 45.133 45.100 -0.078 0.000 0.744 2211 G HN 1.827 nan 8.290 nan 0.000 0.501 2212 G N -0.107 108.664 108.800 -0.049 0.000 2.601 2212 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.261 2212 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.261 2212 G C 0.692 175.591 174.900 -0.002 0.000 1.289 2212 G CA 0.541 45.628 45.100 -0.022 0.000 0.920 2212 G HN 0.957 nan 8.290 nan 0.000 0.571 2213 N N 0.652 119.385 118.700 0.055 0.000 2.325 2213 N HA 0.206 4.937 4.740 -0.014 0.000 0.182 2213 N C 2.427 178.085 175.510 0.246 0.000 1.088 2213 N CA 1.248 54.383 53.050 0.142 0.000 0.879 2213 N CB 0.022 38.644 38.487 0.224 0.000 0.983 2213 N HN 0.831 nan 8.380 nan 0.000 0.471 2214 A N 1.508 124.421 122.820 0.155 0.000 1.873 2214 A HA -0.159 4.153 4.320 -0.014 0.000 0.218 2214 A C 2.161 179.901 177.584 0.259 0.000 1.193 2214 A CA 1.196 53.353 52.037 0.199 0.000 0.629 2214 A CB -0.729 18.287 19.000 0.025 0.000 0.826 2214 A HN 0.215 nan 8.150 nan 0.000 0.447 2215 L N -0.182 121.077 121.223 0.061 0.000 2.093 2215 L HA -0.119 4.213 4.340 -0.014 0.000 0.208 2215 L C 2.210 179.132 176.870 0.088 0.000 1.085 2215 L CA 2.071 56.915 54.840 0.006 0.000 0.755 2215 L CB -0.559 41.390 42.059 -0.184 0.000 0.904 2215 L HN 0.362 nan 8.230 nan 0.000 0.435 2216 K N -1.037 119.394 120.400 0.051 0.000 2.059 2216 K HA -0.246 4.066 4.320 -0.014 0.000 0.212 2216 K C 2.058 178.617 176.600 -0.068 0.000 1.050 2216 K CA 2.204 58.457 56.287 -0.056 0.000 0.927 2216 K CB -0.497 31.890 32.500 -0.188 0.000 0.714 2216 K HN 0.272 nan 8.250 nan 0.000 0.447 2217 F N -0.636 119.351 119.950 0.062 0.000 2.128 2217 F HA -0.130 4.388 4.527 -0.014 0.000 0.295 2217 F C 2.166 177.950 175.800 -0.028 0.000 1.100 2217 F CA 1.158 59.159 58.000 0.002 0.000 1.260 2217 F CB -0.417 38.558 39.000 -0.042 0.000 1.009 2217 F HN 0.009 nan 8.300 nan 0.000 0.476 2218 Y N 0.064 120.481 120.300 0.195 0.000 2.395 2218 Y HA 0.182 4.723 4.550 -0.014 0.000 0.293 2218 Y C 1.646 177.599 175.900 0.087 0.000 1.123 2218 Y CA -0.009 58.166 58.100 0.124 0.000 1.227 2218 Y CB -0.717 37.795 38.460 0.087 0.000 1.012 2218 Y HN -0.108 nan 8.280 nan 0.000 0.552 2219 A N -0.086 122.857 122.820 0.206 0.000 2.511 2219 A HA 0.128 4.440 4.320 -0.014 0.000 0.242 2219 A C 1.218 178.847 177.584 0.075 0.000 1.069 2219 A CA 0.475 52.592 52.037 0.132 0.000 0.763 2219 A CB 0.153 19.212 19.000 0.098 0.000 1.001 2219 A HN 0.348 nan 8.150 nan 0.000 0.498 2220 S N 0.567 116.304 115.700 0.062 0.000 2.470 2220 S HA 0.177 4.639 4.470 -0.014 0.000 0.222 2220 S C 0.379 174.964 174.600 -0.025 0.000 1.024 2220 S CA 0.458 58.667 58.200 0.015 0.000 0.931 2220 S CB 0.133 63.348 63.200 0.025 0.000 0.791 2220 S HN 0.557 nan 8.310 nan 0.000 0.513 2221 V N 2.337 122.247 119.914 -0.008 0.000 2.760 2221 V HA 0.494 4.605 4.120 -0.014 0.000 0.309 2221 V C -0.779 175.311 176.094 -0.007 0.000 1.077 2221 V CA -0.832 61.448 62.300 -0.034 0.000 0.910 2221 V CB 2.091 33.895 31.823 -0.032 0.000 1.008 2221 V HN 0.129 nan 8.190 nan 0.000 0.424 2222 R N 3.913 124.395 120.500 -0.031 0.000 2.476 2222 R HA 0.622 4.953 4.340 -0.014 0.000 0.305 2222 R C -1.854 174.421 176.300 -0.042 0.000 0.965 2222 R CA -0.826 55.286 56.100 0.020 0.000 0.867 2222 R CB 2.151 32.494 30.300 0.072 0.000 1.176 2222 R HN 0.368 nan 8.270 nan 0.000 0.447 2223 L N 2.142 123.315 121.223 -0.083 0.000 2.317 2223 L HA 0.348 4.680 4.340 -0.014 0.000 0.281 2223 L C -0.081 176.498 176.870 -0.484 0.000 1.024 2223 L CA -0.377 54.353 54.840 -0.184 0.000 0.810 2223 L CB 1.428 43.429 42.059 -0.096 0.000 1.240 2223 L HN 0.445 nan 8.230 nan 0.000 0.427 2224 D N 3.831 123.959 120.400 -0.454 0.000 2.461 2224 D HA 0.274 4.905 4.640 -0.014 0.000 0.240 2224 D C -0.839 175.298 176.300 -0.272 0.000 1.094 2224 D CA -0.243 53.391 54.000 -0.610 0.000 0.868 2224 D CB 0.938 41.492 40.800 -0.410 0.000 1.062 2224 D HN 0.446 nan 8.370 nan 0.000 0.530 2225 I N 3.070 123.513 120.570 -0.213 0.000 2.392 2225 I HA 0.512 4.674 4.170 -0.014 0.000 0.295 2225 I C -0.827 175.259 176.117 -0.052 0.000 0.985 2225 I CA -0.616 60.628 61.300 -0.093 0.000 1.221 2225 I CB 0.648 38.634 38.000 -0.024 0.000 1.366 2225 I HN 0.227 nan 8.210 nan 0.000 0.467 2226 R N 5.625 126.088 120.500 -0.062 0.000 2.584 2226 R HA 0.362 4.694 4.340 -0.014 0.000 0.276 2226 R C -1.073 175.196 176.300 -0.053 0.000 1.046 2226 R CA -0.867 55.213 56.100 -0.034 0.000 0.906 2226 R CB 1.948 32.230 30.300 -0.030 0.000 1.215 2226 R HN 0.572 nan 8.270 nan 0.000 0.449 2227 R N 4.172 124.665 120.500 -0.011 0.000 2.316 2227 R HA 0.146 4.478 4.340 -0.014 0.000 0.314 2227 R C 0.676 176.961 176.300 -0.024 0.000 1.069 2227 R CA 0.154 56.251 56.100 -0.006 0.000 0.959 2227 R CB 0.395 30.730 30.300 0.058 0.000 0.987 2227 R HN 0.777 nan 8.270 nan 0.000 0.446 2228 I N 0.691 121.228 120.570 -0.055 0.000 4.035 2228 I HA 0.468 4.629 4.170 -0.014 0.000 0.321 2228 I C 0.587 176.673 176.117 -0.052 0.000 1.289 2228 I CA -0.145 61.120 61.300 -0.058 0.000 1.236 2228 I CB 0.892 38.844 38.000 -0.079 0.000 1.076 2228 I HN 0.589 nan 8.210 nan 0.000 0.418 2229 G N 0.930 109.696 108.800 -0.056 0.000 2.550 2229 G HA2 0.698 4.650 3.960 -0.014 0.000 0.293 2229 G HA3 0.698 4.650 3.960 -0.014 0.000 0.293 2229 G C -1.934 172.920 174.900 -0.077 0.000 1.402 2229 G CA -0.266 44.796 45.100 -0.064 0.000 0.784 2229 G HN 0.288 nan 8.290 nan 0.000 0.482 2230 A N -0.485 122.274 122.820 -0.100 0.000 2.305 2230 A HA 0.686 4.997 4.320 -0.014 0.000 0.322 2230 A C -0.194 177.335 177.584 -0.091 0.000 1.187 2230 A CA -0.515 51.449 52.037 -0.122 0.000 0.825 2230 A CB 1.456 20.339 19.000 -0.194 0.000 1.164 2230 A HN 1.287 nan 8.150 nan 0.000 0.498 2231 V N 4.321 124.178 119.914 -0.096 0.000 2.356 2231 V HA 0.146 4.257 4.120 -0.014 0.000 0.258 2231 V C 0.495 176.556 176.094 -0.055 0.000 1.065 2231 V CA -0.114 62.137 62.300 -0.081 0.000 0.935 2231 V CB -0.214 31.543 31.823 -0.111 0.000 1.061 2231 V HN 0.829 nan 8.190 nan 0.000 0.484 2232 K N 2.996 123.372 120.400 -0.039 0.000 2.090 2232 K HA 0.495 4.807 4.320 -0.014 0.000 0.249 2232 K C 0.055 176.650 176.600 -0.008 0.000 0.995 2232 K CA -0.621 55.653 56.287 -0.021 0.000 0.914 2232 K CB 1.290 33.775 32.500 -0.026 0.000 1.057 2232 K HN 0.458 nan 8.250 nan 0.000 0.462 2233 E N 0.689 120.892 120.200 0.005 0.000 4.170 2233 E HA 0.135 4.476 4.350 -0.014 0.000 0.215 2233 E C 0.377 176.984 176.600 0.012 0.000 1.119 2233 E CA -0.007 56.399 56.400 0.011 0.000 1.396 2233 E CB 0.746 30.460 29.700 0.023 0.000 1.182 2233 E HN 1.018 nan 8.360 nan 0.000 0.438 2234 G N 1.980 110.783 108.800 0.005 0.000 5.431 2234 G HA2 -0.398 3.553 3.960 -0.014 0.000 0.322 2234 G HA3 -0.398 3.553 3.960 -0.014 0.000 0.322 2234 G C 1.060 175.965 174.900 0.009 0.000 1.370 2234 G CA 0.733 45.836 45.100 0.006 0.000 0.963 2234 G HN 0.398 nan 8.290 nan 0.000 0.797 2235 E N 1.507 121.716 120.200 0.016 0.000 2.162 2235 E HA 0.086 4.427 4.350 -0.014 0.000 0.193 2235 E C 1.030 177.648 176.600 0.031 0.000 0.953 2235 E CA 0.283 56.695 56.400 0.021 0.000 0.849 2235 E CB -0.117 29.597 29.700 0.024 0.000 0.810 2235 E HN 0.637 nan 8.360 nan 0.000 0.470 2236 N N 0.469 119.193 118.700 0.039 0.000 2.525 2236 N HA 0.110 4.841 4.740 -0.014 0.000 0.271 2236 N C -0.788 174.762 175.510 0.066 0.000 1.194 2236 N CA -0.083 53.004 53.050 0.063 0.000 0.964 2236 N CB 1.621 40.150 38.487 0.069 0.000 1.126 2236 N HN -0.213 nan 8.380 nan 0.000 0.452 2237 V N 2.341 122.323 119.914 0.114 0.000 2.318 2237 V HA 0.117 4.229 4.120 -0.014 0.000 0.271 2237 V C 0.570 176.814 176.094 0.250 0.000 1.030 2237 V CA -0.318 62.065 62.300 0.138 0.000 0.844 2237 V CB 1.177 33.083 31.823 0.138 0.000 1.015 2237 V HN 0.548 nan 8.190 nan 0.000 0.460 2238 V N 4.385 124.373 119.914 0.122 0.000 3.660 2238 V HA 0.636 4.748 4.120 -0.014 0.000 0.276 2238 V C 0.836 176.782 176.094 -0.246 0.000 1.317 2238 V CA 1.274 63.634 62.300 0.100 0.000 1.097 2238 V CB 0.245 32.100 31.823 0.052 0.000 0.863 2238 V HN 0.912 nan 8.190 nan 0.000 0.438 2239 G N -1.175 107.308 108.800 -0.529 0.000 2.559 2239 G HA2 0.469 4.420 3.960 -0.014 0.000 0.291 2239 G HA3 0.469 4.420 3.960 -0.014 0.000 0.291 2239 G C -1.476 173.082 174.900 -0.570 0.000 1.424 2239 G CA -0.267 44.221 45.100 -1.020 0.000 0.786 2239 G HN -0.017 nan 8.290 nan 0.000 0.485 2240 S N -0.098 115.372 115.700 -0.382 0.000 2.456 2240 S HA 0.486 4.948 4.470 -0.014 0.000 0.316 2240 S C -0.296 174.263 174.600 -0.068 0.000 1.089 2240 S CA -0.413 57.751 58.200 -0.060 0.000 1.101 2240 S CB 1.596 64.875 63.200 0.132 0.000 0.995 2240 S HN 0.584 nan 8.310 nan 0.000 0.468 2241 E N 2.145 122.300 120.200 -0.075 0.000 2.376 2241 E HA 0.288 4.629 4.350 -0.014 0.000 0.266 2241 E C -0.559 175.954 176.600 -0.144 0.000 1.009 2241 E CA 0.512 56.854 56.400 -0.097 0.000 0.902 2241 E CB 0.545 30.195 29.700 -0.084 0.000 0.972 2241 E HN 0.448 nan 8.360 nan 0.000 0.439 2242 T N 4.948 119.337 114.554 -0.275 0.000 2.893 2242 T HA 0.493 4.835 4.350 -0.014 0.000 0.293 2242 T C -0.914 173.450 174.700 -0.560 0.000 1.027 2242 T CA -0.795 61.046 62.100 -0.433 0.000 0.988 2242 T CB 1.265 69.777 68.868 -0.595 0.000 1.043 2242 T HN 0.380 nan 8.240 nan 0.000 0.461 2243 R N 2.244 122.512 120.500 -0.386 0.000 2.532 2243 R HA 0.697 5.028 4.340 -0.014 0.000 0.297 2243 R C -1.942 174.229 176.300 -0.214 0.000 0.984 2243 R CA -0.506 55.419 56.100 -0.292 0.000 0.884 2243 R CB 1.355 31.557 30.300 -0.164 0.000 1.182 2243 R HN 0.463 nan 8.270 nan 0.000 0.442 2244 V N 4.514 124.333 119.914 -0.158 0.000 2.495 2244 V HA 0.425 4.537 4.120 -0.014 0.000 0.298 2244 V C -0.240 175.827 176.094 -0.045 0.000 1.031 2244 V CA -0.790 61.467 62.300 -0.072 0.000 0.871 2244 V CB 1.906 33.745 31.823 0.027 0.000 0.988 2244 V HN 0.673 nan 8.190 nan 0.000 0.432 2245 K N 2.826 123.192 120.400 -0.057 0.000 2.206 2245 K HA 0.578 4.889 4.320 -0.014 0.000 0.264 2245 K C -1.008 175.559 176.600 -0.055 0.000 0.967 2245 K CA -0.679 55.593 56.287 -0.024 0.000 0.844 2245 K CB 2.199 34.705 32.500 0.011 0.000 1.099 2245 K HN 0.458 nan 8.250 nan 0.000 0.441 2246 V N 4.610 124.490 119.914 -0.056 0.000 2.415 2246 V HA -0.008 4.104 4.120 -0.014 0.000 0.267 2246 V C 1.034 176.993 176.094 -0.225 0.000 1.042 2246 V CA 0.050 62.273 62.300 -0.128 0.000 1.000 2246 V CB 0.934 32.674 31.823 -0.138 0.000 1.015 2246 V HN 0.648 nan 8.190 nan 0.000 0.478 2247 V N 3.966 123.756 119.914 -0.206 0.000 2.949 2247 V HA 0.178 4.290 4.120 -0.014 0.000 0.245 2247 V C 0.811 176.670 176.094 -0.393 0.000 1.086 2247 V CA 0.858 63.026 62.300 -0.219 0.000 1.097 2247 V CB 0.019 31.862 31.823 0.034 0.000 0.762 2247 V HN 0.770 nan 8.190 nan 0.000 0.470 2248 K N 1.069 121.300 120.400 -0.283 0.000 2.422 2248 K HA 0.433 4.744 4.320 -0.014 0.000 0.251 2248 K C -1.518 174.920 176.600 -0.270 0.000 0.933 2248 K CA -0.569 55.545 56.287 -0.288 0.000 0.798 2248 K CB 1.740 34.148 32.500 -0.152 0.000 1.238 2248 K HN 0.114 nan 8.250 nan 0.000 0.428 2249 N N 2.988 121.505 118.700 -0.306 0.000 2.549 2249 N HA 0.193 4.924 4.740 -0.014 0.000 0.290 2249 N C -0.833 174.524 175.510 -0.255 0.000 1.122 2249 N CA -0.306 52.587 53.050 -0.262 0.000 0.885 2249 N CB 1.562 39.868 38.487 -0.301 0.000 1.455 2249 N HN 0.601 nan 8.380 nan 0.000 0.521 2250 K N 2.244 122.533 120.400 -0.184 0.000 2.374 2250 K HA 0.257 4.568 4.320 -0.014 0.000 0.196 2250 K C 0.779 177.265 176.600 -0.190 0.000 1.023 2250 K CA 0.127 56.307 56.287 -0.180 0.000 1.103 2250 K CB 0.592 33.037 32.500 -0.092 0.000 0.848 2250 K HN 0.380 nan 8.250 nan 0.000 0.528 2251 I N -0.220 120.247 120.570 -0.172 0.000 3.883 2251 I HA 0.155 4.317 4.170 -0.014 0.000 0.305 2251 I C 0.226 176.263 176.117 -0.135 0.000 1.247 2251 I CA 0.034 61.260 61.300 -0.124 0.000 1.350 2251 I CB 0.965 38.920 38.000 -0.074 0.000 1.194 2251 I HN -0.049 nan 8.210 nan 0.000 0.441 2252 A N -0.455 122.260 122.820 -0.174 0.000 2.534 2252 A HA 0.849 5.161 4.320 -0.014 0.000 0.300 2252 A C -0.896 176.557 177.584 -0.219 0.000 1.223 2252 A CA -0.182 51.768 52.037 -0.145 0.000 0.666 2252 A CB -0.110 18.842 19.000 -0.081 0.000 1.316 2252 A HN 0.059 nan 8.150 nan 0.000 0.468 2253 A N 1.305 124.032 122.820 -0.154 0.000 2.520 2253 A HA 0.565 4.876 4.320 -0.014 0.000 0.245 2253 A C -2.068 175.347 177.584 -0.281 0.000 1.072 2253 A CA -0.545 51.353 52.037 -0.231 0.000 0.761 2253 A CB -0.738 18.250 19.000 -0.021 0.000 1.004 2253 A HN 0.513 nan 8.150 nan 0.000 0.499 2254 P HA 0.523 nan 4.420 nan 0.000 0.282 2254 P C -0.136 177.033 177.300 -0.219 0.000 1.287 2254 P CA -0.326 62.479 63.100 -0.491 0.000 0.792 2254 P CB 0.177 31.357 31.700 -0.866 0.000 1.163 2255 F N -4.605 115.303 119.950 -0.071 0.000 2.840 2255 F HA -0.206 4.313 4.527 -0.014 0.000 0.310 2255 F C 0.655 176.452 175.800 -0.004 0.000 0.688 2255 F CA 0.772 58.762 58.000 -0.017 0.000 1.286 2255 F CB -2.415 36.599 39.000 0.024 0.000 1.612 2255 F HN 0.226 nan 8.300 nan 0.000 0.335 2256 K N 1.268 121.724 120.400 0.093 0.000 2.202 2256 K HA 0.450 4.761 4.320 -0.014 0.000 0.264 2256 K C 0.442 177.070 176.600 0.046 0.000 1.010 2256 K CA -0.260 56.067 56.287 0.066 0.000 0.940 2256 K CB 0.740 33.260 32.500 0.032 0.000 0.983 2256 K HN 0.421 nan 8.250 nan 0.000 0.475 2257 Q N 0.198 120.023 119.800 0.041 0.000 2.423 2257 Q HA 0.734 5.065 4.340 -0.014 0.000 0.278 2257 Q C -1.697 174.316 176.000 0.022 0.000 1.097 2257 Q CA -1.251 54.567 55.803 0.025 0.000 0.809 2257 Q CB 2.155 30.905 28.738 0.020 0.000 1.391 2257 Q HN 0.524 nan 8.270 nan 0.000 0.428 2258 A N 1.844 124.679 122.820 0.025 0.000 2.386 2258 A HA 0.643 4.954 4.320 -0.014 0.000 0.311 2258 A C -1.125 176.458 177.584 -0.002 0.000 1.068 2258 A CA -0.673 51.398 52.037 0.057 0.000 0.743 2258 A CB 1.583 20.666 19.000 0.139 0.000 1.258 2258 A HN 0.796 nan 8.150 nan 0.000 0.429 2259 E N 0.212 120.410 120.200 -0.004 0.000 2.244 2259 E HA 0.777 5.119 4.350 -0.014 0.000 0.266 2259 E C -1.111 175.489 176.600 0.000 0.000 0.914 2259 E CA -0.404 55.915 56.400 -0.135 0.000 0.794 2259 E CB 2.123 31.765 29.700 -0.096 0.000 1.210 2259 E HN 0.667 nan 8.360 nan 0.000 0.414 2260 F N -1.942 117.988 119.950 -0.034 0.000 3.194 2260 F HA 0.341 4.860 4.527 -0.014 0.000 0.327 2260 F C -1.715 174.064 175.800 -0.035 0.000 1.141 2260 F CA -1.188 56.787 58.000 -0.041 0.000 0.862 2260 F CB 0.857 39.828 39.000 -0.048 0.000 1.447 2260 F HN 0.179 nan 8.300 nan 0.000 0.479 2261 Q N 1.295 121.303 119.800 0.346 0.000 2.316 2261 Q HA 0.670 5.001 4.340 -0.014 0.000 0.264 2261 Q C -1.279 174.874 176.000 0.256 0.000 0.987 2261 Q CA -0.749 55.161 55.803 0.178 0.000 0.852 2261 Q CB 2.978 31.756 28.738 0.067 0.000 1.287 2261 Q HN 0.568 nan 8.270 nan 0.000 0.448 2262 I N 3.826 124.491 120.570 0.158 0.000 2.307 2262 I HA 0.220 4.382 4.170 -0.014 0.000 0.289 2262 I C -0.500 175.579 176.117 -0.063 0.000 1.021 2262 I CA -0.449 60.926 61.300 0.125 0.000 1.224 2262 I CB 0.632 38.750 38.000 0.196 0.000 1.376 2262 I HN 0.369 nan 8.210 nan 0.000 0.470 2263 L N 7.155 128.362 121.223 -0.027 0.000 2.278 2263 L HA 0.286 4.617 4.340 -0.014 0.000 0.287 2263 L C -0.545 176.353 176.870 0.047 0.000 1.072 2263 L CA -0.795 53.995 54.840 -0.083 0.000 0.819 2263 L CB -0.045 42.008 42.059 -0.010 0.000 1.176 2263 L HN 0.397 nan 8.230 nan 0.000 0.435 2264 Y N 2.312 122.708 120.300 0.159 0.000 2.721 2264 Y HA 0.181 4.723 4.550 -0.014 0.000 0.329 2264 Y C 1.489 177.527 175.900 0.231 0.000 1.211 2264 Y CA 0.580 58.808 58.100 0.213 0.000 1.512 2264 Y CB -0.072 38.481 38.460 0.154 0.000 1.249 2264 Y HN 0.862 nan 8.280 nan 0.000 0.549 2265 G N 1.986 111.122 108.800 0.561 0.000 2.176 2265 G HA2 -0.338 3.614 3.960 -0.014 0.000 0.253 2265 G HA3 -0.338 3.614 3.960 -0.014 0.000 0.253 2265 G C 0.830 175.772 174.900 0.069 0.000 0.979 2265 G CA 0.628 45.929 45.100 0.335 0.000 0.641 2265 G HN 0.635 nan 8.290 nan 0.000 0.530 2266 E N -1.329 118.906 120.200 0.058 0.000 2.444 2266 E HA 0.475 4.816 4.350 -0.014 0.000 0.203 2266 E C 1.348 177.919 176.600 -0.048 0.000 0.847 2266 E CA 1.290 57.685 56.400 -0.008 0.000 1.142 2266 E CB 0.702 30.419 29.700 0.029 0.000 1.125 2266 E HN 1.623 nan 8.360 nan 0.000 0.521 2267 G N 0.600 109.403 108.800 0.005 0.000 2.306 2267 G HA2 -0.098 3.853 3.960 -0.014 0.000 0.262 2267 G HA3 -0.098 3.853 3.960 -0.014 0.000 0.262 2267 G C -0.914 174.002 174.900 0.027 0.000 1.263 2267 G CA -0.470 44.630 45.100 0.000 0.000 1.088 2267 G HN 0.138 nan 8.290 nan 0.000 0.489 2268 I N 1.585 122.145 120.570 -0.016 0.000 2.598 2268 I HA 0.061 4.223 4.170 -0.014 0.000 0.284 2268 I C 0.636 176.734 176.117 -0.032 0.000 1.140 2268 I CA -0.222 61.040 61.300 -0.063 0.000 1.420 2268 I CB 0.685 38.520 38.000 -0.274 0.000 1.387 2268 I HN 0.434 nan 8.210 nan 0.000 0.553 2269 N N 6.585 125.295 118.700 0.018 0.000 2.671 2269 N HA -0.044 4.687 4.740 -0.014 0.000 0.274 2269 N C 0.559 176.069 175.510 0.001 0.000 1.188 2269 N CA 0.272 53.343 53.050 0.035 0.000 1.065 2269 N CB -0.111 38.409 38.487 0.056 0.000 1.415 2269 N HN 0.511 nan 8.380 nan 0.000 0.511 2270 F N 3.018 122.845 119.950 -0.205 0.000 2.113 2270 F HA -0.164 4.354 4.527 -0.014 0.000 0.297 2270 F C 0.959 176.620 175.800 -0.232 0.000 1.103 2270 F CA 1.445 59.264 58.000 -0.302 0.000 1.248 2270 F CB -0.060 38.649 39.000 -0.486 0.000 0.999 2270 F HN 0.407 nan 8.300 nan 0.000 0.475 2271 Y N 0.535 120.956 120.300 0.201 0.000 2.293 2271 Y HA -0.011 4.530 4.550 -0.014 0.000 0.291 2271 Y C 2.655 178.543 175.900 -0.019 0.000 1.137 2271 Y CA 0.847 59.008 58.100 0.100 0.000 1.202 2271 Y CB -1.437 37.082 38.460 0.097 0.000 0.990 2271 Y HN 0.130 nan 8.280 nan 0.000 0.537 2272 G N 0.078 108.945 108.800 0.112 0.000 2.514 2272 G HA2 -0.297 3.655 3.960 -0.014 0.000 0.217 2272 G HA3 -0.297 3.655 3.960 -0.014 0.000 0.217 2272 G C 1.524 176.412 174.900 -0.021 0.000 1.198 2272 G CA 1.276 46.394 45.100 0.030 0.000 0.780 2272 G HN 0.423 nan 8.290 nan 0.000 0.565 2273 E N -0.249 119.900 120.200 -0.085 0.000 2.070 2273 E HA -0.169 4.172 4.350 -0.014 0.000 0.197 2273 E C 2.419 178.930 176.600 -0.149 0.000 1.004 2273 E CA 1.034 57.351 56.400 -0.139 0.000 0.805 2273 E CB -0.258 29.273 29.700 -0.282 0.000 0.744 2273 E HN 0.312 nan 8.360 nan 0.000 0.451 2274 L N 0.749 121.856 121.223 -0.193 0.000 2.042 2274 L HA -0.171 4.160 4.340 -0.014 0.000 0.210 2274 L C 2.231 179.094 176.870 -0.011 0.000 1.076 2274 L CA 1.368 56.142 54.840 -0.110 0.000 0.749 2274 L CB -0.388 41.666 42.059 -0.010 0.000 0.893 2274 L HN -0.032 nan 8.230 nan 0.000 0.432 2275 V N -0.189 119.731 119.914 0.010 0.000 2.255 2275 V HA -0.325 3.787 4.120 -0.014 0.000 0.247 2275 V C 2.329 178.451 176.094 0.047 0.000 1.051 2275 V CA 2.103 64.411 62.300 0.013 0.000 1.018 2275 V CB -0.776 31.006 31.823 -0.070 0.000 0.641 2275 V HN 0.433 nan 8.190 nan 0.000 0.445 2276 D N -0.177 120.240 120.400 0.029 0.000 2.097 2276 D HA -0.121 4.511 4.640 -0.014 0.000 0.195 2276 D C 2.146 178.471 176.300 0.042 0.000 0.989 2276 D CA 0.989 55.020 54.000 0.051 0.000 0.827 2276 D CB -0.291 40.527 40.800 0.030 0.000 0.966 2276 D HN 0.169 nan 8.370 nan 0.000 0.456 2277 L N 0.594 121.822 121.223 0.009 0.000 2.046 2277 L HA -0.071 4.260 4.340 -0.014 0.000 0.208 2277 L C 2.464 179.353 176.870 0.031 0.000 1.077 2277 L CA 1.639 56.483 54.840 0.005 0.000 0.747 2277 L CB -1.531 40.508 42.059 -0.033 0.000 0.896 2277 L HN 0.092 nan 8.230 nan 0.000 0.432 2278 G N -0.807 108.019 108.800 0.043 0.000 2.418 2278 G HA2 -0.167 3.785 3.960 -0.014 0.000 0.217 2278 G HA3 -0.167 3.785 3.960 -0.014 0.000 0.217 2278 G C 1.723 176.682 174.900 0.098 0.000 1.158 2278 G CA 0.892 46.036 45.100 0.072 0.000 0.771 2278 G HN 0.261 nan 8.290 nan 0.000 0.545 2279 V N 0.670 120.652 119.914 0.113 0.000 2.427 2279 V HA -0.120 3.991 4.120 -0.014 0.000 0.248 2279 V C 2.664 178.802 176.094 0.074 0.000 1.051 2279 V CA 2.040 64.409 62.300 0.115 0.000 1.048 2279 V CB -0.339 31.578 31.823 0.156 0.000 0.666 2279 V HN 0.343 nan 8.190 nan 0.000 0.456 2280 K N -0.159 120.279 120.400 0.062 0.000 2.097 2280 K HA -0.151 4.160 4.320 -0.014 0.000 0.205 2280 K C 1.813 178.438 176.600 0.042 0.000 1.050 2280 K CA 1.127 57.441 56.287 0.044 0.000 0.938 2280 K CB 0.037 32.559 32.500 0.036 0.000 0.718 2280 K HN 0.367 nan 8.250 nan 0.000 0.442 2281 E N 0.634 120.863 120.200 0.048 0.000 2.489 2281 E HA -0.019 4.322 4.350 -0.014 0.000 0.193 2281 E C -0.094 176.539 176.600 0.055 0.000 1.057 2281 E CA 0.159 56.588 56.400 0.048 0.000 0.866 2281 E CB 0.481 30.211 29.700 0.049 0.000 0.916 2281 E HN 0.149 nan 8.360 nan 0.000 0.500 2282 K N -0.402 120.033 120.400 0.059 0.000 3.281 2282 K HA -0.191 4.121 4.320 -0.014 0.000 0.295 2282 K C 1.005 177.654 176.600 0.083 0.000 1.233 2282 K CA 0.430 56.753 56.287 0.059 0.000 0.866 2282 K CB -2.095 30.429 32.500 0.040 0.000 1.265 2282 K HN 0.255 nan 8.250 nan 0.000 0.482 2283 L N -0.333 120.960 121.223 0.115 0.000 2.270 2283 L HA 0.171 4.503 4.340 -0.014 0.000 0.210 2283 L C 1.173 178.203 176.870 0.268 0.000 1.104 2283 L CA 0.679 55.629 54.840 0.183 0.000 0.804 2283 L CB 0.086 42.259 42.059 0.190 0.000 0.937 2283 L HN 0.106 nan 8.230 nan 0.000 0.450 2284 I N -0.369 120.327 120.570 0.209 0.000 2.433 2284 I HA 0.204 4.366 4.170 -0.014 0.000 0.292 2284 I C -0.263 175.941 176.117 0.144 0.000 1.001 2284 I CA -0.609 60.831 61.300 0.232 0.000 1.119 2284 I CB 2.170 40.310 38.000 0.233 0.000 1.289 2284 I HN -0.129 nan 8.210 nan 0.000 0.438 2285 E N 5.504 125.771 120.200 0.112 0.000 2.259 2285 E HA 0.235 4.577 4.350 -0.014 0.000 0.281 2285 E C -0.726 175.854 176.600 -0.032 0.000 1.027 2285 E CA -0.304 56.116 56.400 0.033 0.000 0.838 2285 E CB 0.995 30.703 29.700 0.014 0.000 1.066 2285 E HN 0.278 nan 8.360 nan 0.000 0.401 2286 K N 2.705 123.040 120.400 -0.109 0.000 2.464 2286 K HA 0.499 4.810 4.320 -0.014 0.000 0.252 2286 K C -1.378 175.121 176.600 -0.168 0.000 1.000 2286 K CA -0.608 55.507 56.287 -0.286 0.000 0.951 2286 K CB 0.957 33.219 32.500 -0.397 0.000 1.183 2286 K HN 0.515 nan 8.250 nan 0.000 0.445 2287 A N 3.759 126.517 122.820 -0.103 0.000 3.016 2287 A HA 0.505 4.816 4.320 -0.014 0.000 0.303 2287 A C 0.917 178.510 177.584 0.015 0.000 1.507 2287 A CA 0.365 52.387 52.037 -0.025 0.000 1.196 2287 A CB -0.454 18.548 19.000 0.003 0.000 1.169 2287 A HN 1.059 nan 8.150 nan 0.000 0.544 2288 G N 1.465 110.242 108.800 -0.038 0.000 2.889 2288 G HA2 -0.143 3.809 3.960 -0.014 0.000 0.308 2288 G HA3 -0.143 3.809 3.960 -0.014 0.000 0.308 2288 G C 1.341 176.204 174.900 -0.062 0.000 1.248 2288 G CA 0.815 45.904 45.100 -0.019 0.000 0.982 2288 G HN 1.896 nan 8.290 nan 0.000 0.571 2289 A N -0.792 122.024 122.820 -0.006 0.000 2.348 2289 A HA 0.542 4.853 4.320 -0.014 0.000 0.224 2289 A C 0.472 177.969 177.584 -0.145 0.000 1.227 2289 A CA 0.475 52.467 52.037 -0.075 0.000 0.885 2289 A CB 0.060 19.005 19.000 -0.092 0.000 0.933 2289 A HN 0.544 nan 8.150 nan 0.000 0.506 2290 W N -0.736 120.504 121.300 -0.101 0.000 2.390 2290 W HA 0.577 5.229 4.660 -0.014 0.000 0.312 2290 W C -0.862 175.553 176.519 -0.175 0.000 1.123 2290 W CA -0.079 57.235 57.345 -0.052 0.000 1.202 2290 W CB 0.591 30.022 29.460 -0.049 0.000 1.251 2290 W HN 0.185 nan 8.180 nan 0.000 0.511 2291 Y N 2.328 122.734 120.300 0.176 0.000 2.328 2291 Y HA 0.464 5.006 4.550 -0.014 0.000 0.337 2291 Y C 0.286 176.223 175.900 0.063 0.000 0.966 2291 Y CA -0.605 57.544 58.100 0.081 0.000 1.136 2291 Y CB 1.542 40.007 38.460 0.008 0.000 1.170 2291 Y HN 0.139 nan 8.280 nan 0.000 0.470 2292 S N 2.975 118.767 115.700 0.153 0.000 2.500 2292 S HA 0.417 4.878 4.470 -0.014 0.000 0.301 2292 S C -1.846 172.822 174.600 0.113 0.000 1.092 2292 S CA -0.760 57.482 58.200 0.071 0.000 1.030 2292 S CB 1.149 64.362 63.200 0.021 0.000 1.031 2292 S HN 0.497 nan 8.310 nan 0.000 0.483 2293 Y N 2.811 123.056 120.300 -0.092 0.000 2.331 2293 Y HA 0.373 4.914 4.550 -0.014 0.000 0.334 2293 Y C 0.191 176.076 175.900 -0.024 0.000 0.960 2293 Y CA -0.985 57.090 58.100 -0.042 0.000 1.130 2293 Y CB 0.550 38.987 38.460 -0.038 0.000 1.164 2293 Y HN 0.803 nan 8.280 nan 0.000 0.458 2294 K N 4.961 125.035 120.400 -0.543 0.000 3.156 2294 K HA -0.267 4.044 4.320 -0.014 0.000 0.266 2294 K C 0.961 177.435 176.600 -0.210 0.000 0.966 2294 K CA 1.012 57.030 56.287 -0.448 0.000 0.719 2294 K CB -1.621 30.498 32.500 -0.635 0.000 1.333 2294 K HN 1.328 nan 8.250 nan 0.000 0.468 2295 G N 0.144 108.863 108.800 -0.136 0.000 2.320 2295 G HA2 -0.375 3.576 3.960 -0.014 0.000 0.242 2295 G HA3 -0.375 3.576 3.960 -0.014 0.000 0.242 2295 G C -0.048 174.806 174.900 -0.076 0.000 1.033 2295 G CA 0.516 45.561 45.100 -0.091 0.000 0.620 2295 G HN 0.517 nan 8.290 nan 0.000 0.517 2296 E N 1.705 121.862 120.200 -0.073 0.000 2.259 2296 E HA 0.361 4.702 4.350 -0.014 0.000 0.281 2296 E C 0.189 176.730 176.600 -0.097 0.000 1.037 2296 E CA -0.509 55.853 56.400 -0.063 0.000 0.854 2296 E CB 0.258 29.945 29.700 -0.022 0.000 1.051 2296 E HN 0.319 nan 8.360 nan 0.000 0.409 2297 K N 5.085 125.438 120.400 -0.078 0.000 2.379 2297 K HA 0.112 4.424 4.320 -0.014 0.000 0.284 2297 K C 0.926 177.440 176.600 -0.143 0.000 1.044 2297 K CA 0.082 56.356 56.287 -0.021 0.000 0.974 2297 K CB 0.642 33.169 32.500 0.044 0.000 0.962 2297 K HN 0.575 nan 8.250 nan 0.000 0.474 2298 I N -1.668 118.749 120.570 -0.255 0.000 4.181 2298 I HA 0.291 4.453 4.170 -0.014 0.000 0.331 2298 I C 0.611 176.528 176.117 -0.334 0.000 1.312 2298 I CA -0.306 60.544 61.300 -0.749 0.000 1.146 2298 I CB 1.012 38.245 38.000 -1.278 0.000 1.074 2298 I HN 0.540 nan 8.210 nan 0.000 0.402 2299 G N 0.769 109.539 108.800 -0.050 0.000 2.506 2299 G HA2 0.379 4.330 3.960 -0.014 0.000 0.292 2299 G HA3 0.379 4.330 3.960 -0.014 0.000 0.292 2299 G C -2.098 172.702 174.900 -0.166 0.000 1.425 2299 G CA -0.576 44.484 45.100 -0.068 0.000 0.788 2299 G HN 0.117 nan 8.290 nan 0.000 0.490 2300 Q N 0.102 119.683 119.800 -0.366 0.000 2.363 2300 Q HA 0.529 4.860 4.340 -0.014 0.000 0.265 2300 Q C 0.117 175.966 176.000 -0.252 0.000 1.032 2300 Q CA 0.238 55.669 55.803 -0.620 0.000 0.746 2300 Q CB 1.101 29.244 28.738 -0.992 0.000 1.237 2300 Q HN 2.196 nan 8.270 nan 0.000 0.475 2301 G N 2.840 111.639 108.800 -0.001 0.000 2.764 2301 G HA2 -0.261 3.690 3.960 -0.014 0.000 0.686 2301 G HA3 -0.261 3.690 3.960 -0.014 0.000 0.686 2301 G C 0.182 175.021 174.900 -0.103 0.000 1.258 2301 G CA 0.006 45.154 45.100 0.079 0.000 0.846 2301 G HN 0.752 nan 8.290 nan 0.000 0.596 2302 K N 1.139 121.460 120.400 -0.133 0.000 2.189 2302 K HA -0.189 4.122 4.320 -0.014 0.000 0.207 2302 K C 2.889 179.352 176.600 -0.229 0.000 1.046 2302 K CA 2.705 58.785 56.287 -0.345 0.000 0.928 2302 K CB -0.350 32.072 32.500 -0.129 0.000 0.720 2302 K HN 1.238 nan 8.250 nan 0.000 0.458 2303 A N 1.331 124.074 122.820 -0.127 0.000 1.869 2303 A HA -0.285 4.027 4.320 -0.014 0.000 0.218 2303 A C 1.763 179.296 177.584 -0.086 0.000 1.203 2303 A CA 2.312 54.299 52.037 -0.083 0.000 0.638 2303 A CB -0.966 17.998 19.000 -0.059 0.000 0.831 2303 A HN 0.621 nan 8.150 nan 0.000 0.450 2304 N N -0.256 118.381 118.700 -0.106 0.000 2.171 2304 N HA 0.072 4.804 4.740 -0.014 0.000 0.184 2304 N C 1.963 177.443 175.510 -0.050 0.000 1.021 2304 N CA 0.942 53.952 53.050 -0.068 0.000 0.854 2304 N CB -0.273 38.164 38.487 -0.083 0.000 0.994 2304 N HN 0.499 nan 8.380 nan 0.000 0.426 2305 A N 0.786 123.503 122.820 -0.171 0.000 1.908 2305 A HA -0.187 4.124 4.320 -0.014 0.000 0.218 2305 A C 2.262 179.818 177.584 -0.048 0.000 1.181 2305 A CA 1.925 53.856 52.037 -0.177 0.000 0.627 2305 A CB -1.146 17.506 19.000 -0.580 0.000 0.818 2305 A HN 0.233 nan 8.150 nan 0.000 0.445 2306 T N 0.351 114.851 114.554 -0.090 0.000 2.674 2306 T HA -0.056 4.285 4.350 -0.014 0.000 0.265 2306 T C 2.223 176.902 174.700 -0.036 0.000 1.039 2306 T CA 1.773 63.861 62.100 -0.020 0.000 1.150 2306 T CB -0.539 68.329 68.868 -0.000 0.000 0.864 2306 T HN 0.630 nan 8.240 nan 0.000 0.427 2307 A N 0.040 122.848 122.820 -0.020 0.000 1.972 2307 A HA -0.105 4.206 4.320 -0.014 0.000 0.219 2307 A C 2.034 179.597 177.584 -0.036 0.000 1.169 2307 A CA 1.427 53.444 52.037 -0.033 0.000 0.635 2307 A CB -1.026 17.972 19.000 -0.005 0.000 0.810 2307 A HN 0.720 nan 8.150 nan 0.000 0.446 2308 W N 0.265 121.480 121.300 -0.141 0.000 2.409 2308 W HA -0.038 4.613 4.660 -0.014 0.000 0.299 2308 W C 1.717 178.127 176.519 -0.181 0.000 1.203 2308 W CA 1.530 58.802 57.345 -0.122 0.000 1.298 2308 W CB -0.210 29.209 29.460 -0.070 0.000 1.127 2308 W HN 0.228 nan 8.180 nan 0.000 0.528 2309 L N 0.718 121.917 121.223 -0.039 0.000 2.191 2309 L HA -0.214 4.118 4.340 -0.014 0.000 0.212 2309 L C 2.481 178.907 176.870 -0.739 0.000 1.103 2309 L CA 1.389 56.043 54.840 -0.310 0.000 0.769 2309 L CB -0.706 41.274 42.059 -0.132 0.000 0.908 2309 L HN -0.049 nan 8.230 nan 0.000 0.438 2310 K N -0.003 119.930 120.400 -0.778 0.000 2.026 2310 K HA -0.193 4.118 4.320 -0.014 0.000 0.208 2310 K C 1.533 177.845 176.600 -0.480 0.000 1.048 2310 K CA 1.771 57.591 56.287 -0.778 0.000 0.929 2310 K CB 0.030 32.289 32.500 -0.401 0.000 0.713 2310 K HN 0.219 nan 8.250 nan 0.000 0.439 2311 D N 0.045 120.179 120.400 -0.444 0.000 2.277 2311 D HA -0.052 4.580 4.640 -0.014 0.000 0.208 2311 D C -0.258 175.755 176.300 -0.477 0.000 0.962 2311 D CA 0.867 54.629 54.000 -0.397 0.000 0.865 2311 D CB 0.008 40.588 40.800 -0.367 0.000 0.939 2311 D HN 0.131 nan 8.370 nan 0.000 0.510 2312 N N 0.254 118.560 118.700 -0.657 0.000 3.012 2312 N HA 0.195 4.926 4.740 -0.014 0.000 0.270 2312 N C -2.127 173.155 175.510 -0.380 0.000 1.469 2312 N CA -1.138 51.556 53.050 -0.595 0.000 0.928 2312 N CB 1.710 39.589 38.487 -1.013 0.000 1.219 2312 N HN -0.072 nan 8.380 nan 0.000 0.492 2313 P HA -0.120 nan 4.420 nan 0.000 0.220 2313 P C 0.978 178.231 177.300 -0.078 0.000 1.148 2313 P CA 1.052 64.074 63.100 -0.130 0.000 0.803 2313 P CB 0.501 32.150 31.700 -0.086 0.000 0.782 2314 E N -0.492 119.653 120.200 -0.092 0.000 2.051 2314 E HA -0.111 4.230 4.350 -0.014 0.000 0.192 2314 E C 1.848 178.435 176.600 -0.022 0.000 0.991 2314 E CA 1.626 57.999 56.400 -0.045 0.000 0.799 2314 E CB -1.557 28.118 29.700 -0.041 0.000 0.748 2314 E HN 0.294 nan 8.360 nan 0.000 0.449 2315 T N 1.479 116.002 114.554 -0.052 0.000 2.867 2315 T HA 0.009 4.351 4.350 -0.014 0.000 0.268 2315 T C 2.026 176.703 174.700 -0.038 0.000 1.057 2315 T CA 1.137 63.233 62.100 -0.007 0.000 1.136 2315 T CB -0.157 68.726 68.868 0.025 0.000 0.874 2315 T HN 0.258 nan 8.240 nan 0.000 0.466 2316 A N 2.269 125.062 122.820 -0.046 0.000 1.877 2316 A HA -0.109 4.203 4.320 -0.014 0.000 0.216 2316 A C 2.337 179.973 177.584 0.086 0.000 1.186 2316 A CA 1.124 53.184 52.037 0.038 0.000 0.620 2316 A CB -0.319 18.744 19.000 0.105 0.000 0.822 2316 A HN 0.203 nan 8.150 nan 0.000 0.443 2317 K N -0.190 120.249 120.400 0.065 0.000 2.063 2317 K HA -0.198 4.114 4.320 -0.014 0.000 0.208 2317 K C 1.937 178.573 176.600 0.060 0.000 1.048 2317 K CA 1.630 57.955 56.287 0.064 0.000 0.928 2317 K CB -0.440 32.081 32.500 0.034 0.000 0.713 2317 K HN 0.785 nan 8.250 nan 0.000 0.442 2318 E N 0.698 120.930 120.200 0.052 0.000 2.077 2318 E HA -0.161 4.181 4.350 -0.014 0.000 0.193 2318 E C 2.069 178.712 176.600 0.072 0.000 0.989 2318 E CA 1.000 57.442 56.400 0.070 0.000 0.800 2318 E CB -0.014 29.744 29.700 0.098 0.000 0.746 2318 E HN 0.248 nan 8.360 nan 0.000 0.452 2319 I N 0.800 121.389 120.570 0.033 0.000 2.233 2319 I HA -0.205 3.957 4.170 -0.014 0.000 0.243 2319 I C 2.695 178.845 176.117 0.054 0.000 1.093 2319 I CA 1.122 62.437 61.300 0.024 0.000 1.380 2319 I CB -0.393 37.562 38.000 -0.075 0.000 1.067 2319 I HN 0.219 nan 8.210 nan 0.000 0.413 2320 E N 1.828 122.072 120.200 0.073 0.000 2.070 2320 E HA -0.316 4.025 4.350 -0.014 0.000 0.197 2320 E C 2.263 178.905 176.600 0.070 0.000 1.004 2320 E CA 1.590 58.043 56.400 0.087 0.000 0.805 2320 E CB -0.034 29.761 29.700 0.159 0.000 0.744 2320 E HN 0.282 nan 8.360 nan 0.000 0.451 2321 K N 0.602 121.043 120.400 0.068 0.000 2.032 2321 K HA -0.222 4.089 4.320 -0.014 0.000 0.209 2321 K C 2.186 178.818 176.600 0.053 0.000 1.048 2321 K CA 1.754 58.075 56.287 0.056 0.000 0.927 2321 K CB -0.039 32.492 32.500 0.053 0.000 0.712 2321 K HN 0.012 nan 8.250 nan 0.000 0.441 2322 K N 0.061 120.498 120.400 0.061 0.000 2.097 2322 K HA -0.097 4.215 4.320 -0.014 0.000 0.206 2322 K C 1.999 178.630 176.600 0.052 0.000 1.049 2322 K CA 1.142 57.466 56.287 0.062 0.000 0.933 2322 K CB 0.036 32.586 32.500 0.083 0.000 0.717 2322 K HN -0.023 nan 8.250 nan 0.000 0.442 2323 V N 1.153 121.095 119.914 0.048 0.000 2.295 2323 V HA -0.251 3.861 4.120 -0.014 0.000 0.246 2323 V C 2.151 178.261 176.094 0.027 0.000 1.049 2323 V CA 1.678 63.998 62.300 0.034 0.000 1.024 2323 V CB -0.427 31.408 31.823 0.019 0.000 0.648 2323 V HN 0.281 nan 8.190 nan 0.000 0.447 2324 R N -0.096 120.422 120.500 0.030 0.000 2.091 2324 R HA -0.192 4.140 4.340 -0.014 0.000 0.238 2324 R C 2.317 178.634 176.300 0.028 0.000 1.136 2324 R CA 1.849 57.965 56.100 0.028 0.000 0.959 2324 R CB -0.341 29.979 30.300 0.034 0.000 0.856 2324 R HN 0.623 nan 8.270 nan 0.000 0.437 2325 E N 0.611 120.830 120.200 0.032 0.000 2.077 2325 E HA -0.172 4.170 4.350 -0.014 0.000 0.193 2325 E C 2.033 178.652 176.600 0.030 0.000 0.989 2325 E CA 0.963 57.382 56.400 0.031 0.000 0.800 2325 E CB -0.072 29.648 29.700 0.034 0.000 0.746 2325 E HN 0.291 nan 8.360 nan 0.000 0.452 2326 L N 0.140 121.382 121.223 0.032 0.000 2.217 2326 L HA -0.106 4.225 4.340 -0.014 0.000 0.211 2326 L C 1.916 178.803 176.870 0.028 0.000 1.107 2326 L CA 0.809 55.667 54.840 0.031 0.000 0.783 2326 L CB 0.132 42.212 42.059 0.035 0.000 0.919 2326 L HN 0.162 nan 8.230 nan 0.000 0.442 2327 L N -1.507 119.731 121.223 0.025 0.000 3.039 2327 L HA 0.209 4.541 4.340 -0.014 0.000 0.269 2327 L C 0.199 177.081 176.870 0.021 0.000 1.169 2327 L CA -0.271 54.583 54.840 0.022 0.000 0.986 2327 L CB 0.767 42.837 42.059 0.018 0.000 1.377 2327 L HN 0.029 nan 8.230 nan 0.000 0.575 2328 L N 0.927 122.162 121.223 0.021 0.000 2.313 2328 L HA 0.098 4.430 4.340 -0.014 0.000 0.282 2328 L C 1.506 178.389 176.870 0.023 0.000 1.092 2328 L CA -0.054 54.798 54.840 0.019 0.000 0.831 2328 L CB 1.561 43.630 42.059 0.018 0.000 1.159 2328 L HN 0.184 nan 8.230 nan 0.000 0.442 2329 S N 1.309 117.023 115.700 0.024 0.000 2.522 2329 S HA 0.003 4.465 4.470 -0.014 0.000 0.227 2329 S C 0.833 175.453 174.600 0.032 0.000 0.986 2329 S CA 0.217 58.436 58.200 0.032 0.000 0.929 2329 S CB 0.005 63.227 63.200 0.038 0.000 0.769 2329 S HN 0.745 nan 8.310 nan 0.000 0.529 2330 N N 1.944 120.659 118.700 0.023 0.000 2.628 2330 N HA 0.283 5.015 4.740 -0.014 0.000 0.299 2330 N C -3.078 172.443 175.510 0.018 0.000 1.834 2330 N CA -0.760 52.304 53.050 0.023 0.000 0.871 2330 N CB 1.182 39.679 38.487 0.017 0.000 1.377 2330 N HN 0.283 nan 8.380 nan 0.000 0.493 2331 P HA -0.017 nan 4.420 nan 0.000 0.269 2331 P C -0.286 177.022 177.300 0.014 0.000 1.211 2331 P CA 0.393 63.503 63.100 0.016 0.000 0.781 2331 P CB 0.480 32.191 31.700 0.019 0.000 0.877 2332 N N 0.180 118.887 118.700 0.012 0.000 2.533 2332 N HA 0.495 5.226 4.740 -0.014 0.000 0.289 2332 N C -1.456 174.059 175.510 0.010 0.000 1.103 2332 N CA -0.392 52.664 53.050 0.010 0.000 0.877 2332 N CB 0.940 39.432 38.487 0.008 0.000 1.419 2332 N HN 0.406 nan 8.380 nan 0.000 0.517 3002 I N 0.972 121.543 120.570 0.001 0.000 2.947 3002 I HA 0.061 4.223 4.170 -0.014 0.000 0.263 3002 I C 1.758 177.876 176.117 0.001 0.000 1.130 3002 I CA 1.169 62.470 61.300 0.002 0.000 1.448 3002 I CB -0.056 37.945 38.000 0.001 0.000 1.222 3002 I HN 0.370 nan 8.210 nan 0.000 0.453 3003 D N 1.058 121.458 120.400 -0.000 0.000 2.355 3003 D HA -0.115 4.516 4.640 -0.014 0.000 0.218 3003 D C 1.419 177.719 176.300 -0.000 0.000 1.004 3003 D CA 0.603 54.602 54.000 -0.001 0.000 0.880 3003 D CB -0.262 40.537 40.800 -0.003 0.000 0.911 3003 D HN 0.419 nan 8.370 nan 0.000 0.528 3004 E N 0.173 120.373 120.200 0.000 0.000 2.158 3004 E HA -0.034 4.307 4.350 -0.014 0.000 0.191 3004 E C 1.585 178.186 176.600 0.002 0.000 0.982 3004 E CA 0.281 56.681 56.400 0.001 0.000 0.823 3004 E CB -0.037 29.664 29.700 0.000 0.000 0.766 3004 E HN 0.209 nan 8.360 nan 0.000 0.468 3005 N N 1.216 119.918 118.700 0.002 0.000 2.270 3005 N HA -0.088 4.643 4.740 -0.014 0.000 0.181 3005 N C 1.463 176.975 175.510 0.004 0.000 1.016 3005 N CA 0.806 53.858 53.050 0.003 0.000 0.870 3005 N CB 0.079 38.569 38.487 0.004 0.000 0.979 3005 N HN 0.158 nan 8.380 nan 0.000 0.431 3006 K N 0.922 121.324 120.400 0.003 0.000 2.057 3006 K HA -0.062 4.250 4.320 -0.014 0.000 0.207 3006 K C 1.886 178.488 176.600 0.003 0.000 1.049 3006 K CA 0.942 57.230 56.287 0.003 0.000 0.931 3006 K CB -0.008 32.493 32.500 0.001 0.000 0.714 3006 K HN 0.260 nan 8.250 nan 0.000 0.440 3007 Q N 0.537 120.338 119.800 0.002 0.000 2.297 3007 Q HA -0.106 4.225 4.340 -0.014 0.000 0.204 3007 Q C 1.963 177.965 176.000 0.004 0.000 0.962 3007 Q CA 0.794 56.598 55.803 0.002 0.000 0.879 3007 Q CB 0.118 28.857 28.738 0.001 0.000 0.947 3007 Q HN 0.258 nan 8.270 nan 0.000 0.462 3008 K N 0.894 121.296 120.400 0.004 0.000 1.985 3008 K HA -0.127 4.184 4.320 -0.014 0.000 0.210 3008 K C 1.962 178.566 176.600 0.006 0.000 1.047 3008 K CA 1.301 57.591 56.287 0.005 0.000 0.932 3008 K CB -0.085 32.417 32.500 0.005 0.000 0.716 3008 K HN 0.114 nan 8.250 nan 0.000 0.439 3009 A N 1.086 123.910 122.820 0.006 0.000 2.067 3009 A HA -0.090 4.221 4.320 -0.014 0.000 0.219 3009 A C 1.960 179.549 177.584 0.008 0.000 1.158 3009 A CA 0.920 52.962 52.037 0.008 0.000 0.661 3009 A CB -0.408 18.596 19.000 0.008 0.000 0.801 3009 A HN 0.407 nan 8.150 nan 0.000 0.452 3010 L N -0.134 121.093 121.223 0.007 0.000 1.973 3010 L HA -0.017 4.314 4.340 -0.014 0.000 0.208 3010 L C 2.671 179.546 176.870 0.010 0.000 1.073 3010 L CA 2.341 57.185 54.840 0.007 0.000 0.746 3010 L CB -0.831 41.231 42.059 0.005 0.000 0.891 3010 L HN 0.281 nan 8.230 nan 0.000 0.433 3011 A N -0.269 122.556 122.820 0.008 0.000 1.948 3011 A HA -0.209 4.102 4.320 -0.014 0.000 0.220 3011 A C 2.434 180.025 177.584 0.012 0.000 1.177 3011 A CA 2.144 54.186 52.037 0.010 0.000 0.636 3011 A CB -1.356 17.649 19.000 0.007 0.000 0.815 3011 A HN 0.683 nan 8.150 nan 0.000 0.449 3012 A N -0.344 122.482 122.820 0.011 0.000 1.933 3012 A HA 0.155 4.466 4.320 -0.014 0.000 0.218 3012 A C 2.488 180.082 177.584 0.016 0.000 1.175 3012 A CA 2.103 54.147 52.037 0.012 0.000 0.628 3012 A CB -0.920 18.087 19.000 0.010 0.000 0.814 3012 A HN 1.073 nan 8.150 nan 0.000 0.444 3013 A N -0.747 122.084 122.820 0.018 0.000 1.897 3013 A HA 0.077 4.388 4.320 -0.014 0.000 0.215 3013 A C 2.033 179.637 177.584 0.033 0.000 1.181 3013 A CA 1.497 53.549 52.037 0.025 0.000 0.620 3013 A CB -0.508 18.505 19.000 0.022 0.000 0.821 3013 A HN 0.391 nan 8.150 nan 0.000 0.443 3014 L N -0.078 121.162 121.223 0.028 0.000 2.083 3014 L HA -0.051 4.281 4.340 -0.014 0.000 0.209 3014 L C 2.746 179.637 176.870 0.034 0.000 1.083 3014 L CA 1.731 56.590 54.840 0.033 0.000 0.752 3014 L CB -0.872 41.201 42.059 0.024 0.000 0.899 3014 L HN 0.411 nan 8.230 nan 0.000 0.433 3015 G N -1.218 107.596 108.800 0.024 0.000 2.421 3015 G HA2 -0.364 3.588 3.960 -0.014 0.000 0.216 3015 G HA3 -0.364 3.588 3.960 -0.014 0.000 0.216 3015 G C 1.473 176.384 174.900 0.018 0.000 1.171 3015 G CA 0.918 46.029 45.100 0.019 0.000 0.775 3015 G HN 0.410 nan 8.290 nan 0.000 0.543 3016 Q N 0.637 120.449 119.800 0.020 0.000 2.029 3016 Q HA -0.171 4.160 4.340 -0.014 0.000 0.209 3016 Q C 2.360 178.379 176.000 0.031 0.000 0.999 3016 Q CA 2.053 57.867 55.803 0.017 0.000 0.857 3016 Q CB -0.531 28.222 28.738 0.026 0.000 0.926 3016 Q HN 0.542 nan 8.270 nan 0.000 0.415 3017 I N 0.256 120.872 120.570 0.076 0.000 2.179 3017 I HA -0.259 3.902 4.170 -0.014 0.000 0.242 3017 I C 2.399 178.604 176.117 0.146 0.000 1.088 3017 I CA 1.810 63.207 61.300 0.162 0.000 1.357 3017 I CB -0.393 37.701 38.000 0.157 0.000 1.051 3017 I HN 0.359 nan 8.210 nan 0.000 0.409 3018 E N 0.459 120.710 120.200 0.086 0.000 2.152 3018 E HA -0.172 4.169 4.350 -0.014 0.000 0.192 3018 E C 1.746 178.364 176.600 0.031 0.000 0.983 3018 E CA 0.611 57.053 56.400 0.071 0.000 0.818 3018 E CB 0.000 29.731 29.700 0.051 0.000 0.758 3018 E HN 0.314 nan 8.360 nan 0.000 0.467 3019 K N 0.583 120.984 120.400 0.001 0.000 2.522 3019 K HA -0.002 4.310 4.320 -0.014 0.000 0.194 3019 K C 1.339 177.885 176.600 -0.091 0.000 1.026 3019 K CA 0.238 56.507 56.287 -0.031 0.000 1.119 3019 K CB 0.307 32.791 32.500 -0.026 0.000 0.856 3019 K HN 0.121 nan 8.250 nan 0.000 0.513 3020 Q N -1.549 118.167 119.800 -0.140 0.000 2.384 3020 Q HA 0.112 4.443 4.340 -0.014 0.000 0.264 3020 Q C 0.060 175.720 176.000 -0.566 0.000 0.825 3020 Q CA 0.290 55.855 55.803 -0.396 0.000 0.984 3020 Q CB 0.739 29.152 28.738 -0.541 0.000 1.183 3020 Q HN 0.163 nan 8.270 nan 0.000 0.537 3021 F N 0.002 119.958 119.950 0.010 0.000 2.775 3021 F HA 0.438 4.956 4.527 -0.014 0.000 0.313 3021 F C 0.494 176.303 175.800 0.016 0.000 1.121 3021 F CA 0.253 58.261 58.000 0.013 0.000 1.206 3021 F CB 1.755 40.763 39.000 0.013 0.000 1.052 3021 F HN 0.035 nan 8.300 nan 0.000 0.524 3022 G N 0.319 109.192 108.800 0.121 0.000 2.539 3022 G HA2 -0.125 3.826 3.960 -0.014 0.000 0.686 3022 G HA3 -0.125 3.826 3.960 -0.014 0.000 0.686 3022 G C 0.544 175.485 174.900 0.069 0.000 1.258 3022 G CA -0.899 44.253 45.100 0.086 0.000 0.846 3022 G HN -0.109 nan 8.290 nan 0.000 0.647 3023 K N 0.116 120.545 120.400 0.049 0.000 2.052 3023 K HA -0.159 4.152 4.320 -0.014 0.000 0.215 3023 K C 1.810 178.435 176.600 0.042 0.000 1.053 3023 K CA 2.167 58.476 56.287 0.038 0.000 0.934 3023 K CB -0.352 32.167 32.500 0.031 0.000 0.717 3023 K HN 1.466 nan 8.250 nan 0.000 0.450 3024 G N 0.691 109.520 108.800 0.048 0.000 4.885 3024 G HA2 0.165 4.117 3.960 -0.014 0.000 0.263 3024 G HA3 0.165 4.117 3.960 -0.014 0.000 0.263 3024 G C 0.766 175.697 174.900 0.051 0.000 1.168 3024 G CA 0.163 45.289 45.100 0.044 0.000 0.906 3024 G HN 0.217 nan 8.290 nan 0.000 0.575 3025 S N -0.085 115.656 115.700 0.068 0.000 2.383 3025 S HA 0.111 4.572 4.470 -0.014 0.000 0.227 3025 S C 0.943 175.566 174.600 0.039 0.000 1.026 3025 S CA 0.463 58.704 58.200 0.068 0.000 0.981 3025 S CB 0.264 63.533 63.200 0.117 0.000 0.818 3025 S HN 0.474 nan 8.310 nan 0.000 0.472 3026 I N 1.700 122.295 120.570 0.042 0.000 2.498 3026 I HA 0.615 4.776 4.170 -0.014 0.000 0.290 3026 I C -0.987 175.145 176.117 0.025 0.000 1.032 3026 I CA -1.341 59.975 61.300 0.027 0.000 1.073 3026 I CB 1.748 39.763 38.000 0.026 0.000 1.251 3026 I HN 0.465 nan 8.210 nan 0.000 0.426 3027 M N 4.609 124.220 119.600 0.019 0.000 2.880 3027 M HA 0.573 5.045 4.480 -0.014 0.000 0.269 3027 M C -1.159 175.147 176.300 0.010 0.000 1.248 3027 M CA -1.091 54.218 55.300 0.015 0.000 0.821 3027 M CB 1.408 34.017 32.600 0.015 0.000 1.650 3027 M HN 0.275 nan 8.290 nan 0.000 0.479 3028 R N 1.182 121.685 120.500 0.006 0.000 2.449 3028 R HA 0.251 4.582 4.340 -0.014 0.000 0.296 3028 R C 0.988 177.284 176.300 -0.006 0.000 1.047 3028 R CA -0.114 55.986 56.100 -0.001 0.000 1.018 3028 R CB 0.274 30.572 30.300 -0.003 0.000 0.962 3028 R HN 0.682 nan 8.270 nan 0.000 0.428 3029 L N 2.432 123.647 121.223 -0.014 0.000 2.081 3029 L HA -0.197 4.135 4.340 -0.014 0.000 0.212 3029 L C 1.762 178.618 176.870 -0.024 0.000 1.080 3029 L CA 2.125 56.949 54.840 -0.026 0.000 0.754 3029 L CB -0.402 41.626 42.059 -0.053 0.000 0.893 3029 L HN 0.980 nan 8.230 nan 0.000 0.433 3030 G N -0.476 108.311 108.800 -0.022 0.000 2.509 3030 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.218 3030 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.218 3030 G C 1.228 176.121 174.900 -0.011 0.000 1.124 3030 G CA 0.756 45.845 45.100 -0.019 0.000 0.776 3030 G HN 0.713 nan 8.290 nan 0.000 0.547 3031 E N -0.458 119.738 120.200 -0.007 0.000 2.490 3031 E HA 0.068 4.409 4.350 -0.014 0.000 0.209 3031 E C -0.158 176.443 176.600 0.002 0.000 0.971 3031 E CA -0.438 55.960 56.400 -0.002 0.000 0.988 3031 E CB 0.120 29.820 29.700 -0.000 0.000 1.029 3031 E HN 0.123 nan 8.360 nan 0.000 0.496 3032 D N 1.913 122.313 120.400 0.001 0.000 2.349 3032 D HA 0.005 4.637 4.640 -0.014 0.000 0.266 3032 D C 0.705 177.010 176.300 0.007 0.000 1.293 3032 D CA -0.002 54.001 54.000 0.006 0.000 0.926 3032 D CB 0.739 41.543 40.800 0.005 0.000 1.090 3032 D HN -0.011 nan 8.370 nan 0.000 0.502 3033 R N 1.782 122.288 120.500 0.010 0.000 2.090 3033 R HA -0.080 4.252 4.340 -0.014 0.000 0.228 3033 R C 1.994 178.303 176.300 0.015 0.000 1.110 3033 R CA 0.722 56.828 56.100 0.011 0.000 0.973 3033 R CB -0.894 29.412 30.300 0.011 0.000 0.869 3033 R HN 0.490 nan 8.270 nan 0.000 0.440 3034 S N -0.226 115.487 115.700 0.021 0.000 2.595 3034 S HA -0.086 4.375 4.470 -0.014 0.000 0.235 3034 S C 1.705 176.324 174.600 0.032 0.000 0.974 3034 S CA 0.724 58.942 58.200 0.029 0.000 0.942 3034 S CB -0.051 63.172 63.200 0.039 0.000 0.766 3034 S HN 0.089 nan 8.310 nan 0.000 0.536 3035 M N 1.735 121.348 119.600 0.022 0.000 2.492 3035 M HA 0.281 4.752 4.480 -0.014 0.000 0.255 3035 M C -0.415 175.893 176.300 0.014 0.000 1.139 3035 M CA 0.173 55.484 55.300 0.018 0.000 1.096 3035 M CB 0.111 32.713 32.600 0.003 0.000 1.360 3035 M HN 0.090 nan 8.290 nan 0.000 0.480 3036 D N 0.375 120.783 120.400 0.012 0.000 2.368 3036 D HA 0.117 4.749 4.640 -0.014 0.000 0.240 3036 D C -0.469 175.839 176.300 0.013 0.000 1.169 3036 D CA 0.171 54.178 54.000 0.010 0.000 0.906 3036 D CB 1.089 41.894 40.800 0.009 0.000 1.187 3036 D HN -0.108 nan 8.370 nan 0.000 0.435 3037 V N 1.559 121.479 119.914 0.011 0.000 2.394 3037 V HA 0.195 4.307 4.120 -0.014 0.000 0.282 3037 V C 0.419 176.517 176.094 0.008 0.000 1.031 3037 V CA -0.451 61.855 62.300 0.010 0.000 0.881 3037 V CB 1.479 33.306 31.823 0.006 0.000 0.982 3037 V HN 0.419 nan 8.190 nan 0.000 0.451 3038 E N 2.970 123.175 120.200 0.008 0.000 2.227 3038 E HA 0.671 5.012 4.350 -0.014 0.000 0.268 3038 E C -0.759 175.842 176.600 0.002 0.000 0.907 3038 E CA -0.413 55.990 56.400 0.005 0.000 0.786 3038 E CB 2.343 32.046 29.700 0.005 0.000 1.191 3038 E HN 0.832 nan 8.360 nan 0.000 0.411 3039 T N 0.560 115.114 114.554 -0.000 0.000 2.916 3039 T HA 0.630 4.971 4.350 -0.014 0.000 0.292 3039 T C -0.363 174.333 174.700 -0.006 0.000 1.064 3039 T CA -0.865 61.233 62.100 -0.003 0.000 1.011 3039 T CB 1.068 69.934 68.868 -0.004 0.000 1.152 3039 T HN 0.263 nan 8.240 nan 0.000 0.510 3040 I N 1.667 122.232 120.570 -0.008 0.000 2.509 3040 I HA 0.429 4.591 4.170 -0.014 0.000 0.293 3040 I C 0.749 176.858 176.117 -0.012 0.000 1.020 3040 I CA -0.786 60.506 61.300 -0.013 0.000 1.088 3040 I CB 1.707 39.697 38.000 -0.016 0.000 1.267 3040 I HN 0.947 nan 8.210 nan 0.000 0.430 3041 S N 2.752 118.443 115.700 -0.015 0.000 2.558 3041 S HA 0.051 4.512 4.470 -0.014 0.000 0.288 3041 S C 1.330 175.919 174.600 -0.019 0.000 1.318 3041 S CA 0.393 58.587 58.200 -0.010 0.000 1.056 3041 S CB 0.386 63.579 63.200 -0.012 0.000 0.853 3041 S HN 0.812 nan 8.310 nan 0.000 0.505 3042 T N 1.391 115.935 114.554 -0.016 0.000 3.081 3042 T HA 0.356 4.697 4.350 -0.014 0.000 0.250 3042 T C 1.488 176.156 174.700 -0.054 0.000 1.100 3042 T CA 0.613 62.695 62.100 -0.030 0.000 1.038 3042 T CB -0.317 68.534 68.868 -0.029 0.000 0.962 3042 T HN 1.636 nan 8.240 nan 0.000 0.516 3043 G N 0.783 109.561 108.800 -0.037 0.000 2.199 3043 G HA2 -0.240 3.712 3.960 -0.014 0.000 0.254 3043 G HA3 -0.240 3.712 3.960 -0.014 0.000 0.254 3043 G C 0.188 175.072 174.900 -0.026 0.000 0.982 3043 G CA 0.211 45.286 45.100 -0.042 0.000 0.632 3043 G HN 1.093 nan 8.290 nan 0.000 0.529 3044 S N -0.250 115.370 115.700 -0.132 0.000 2.498 3044 S HA 0.635 5.097 4.470 -0.014 0.000 0.317 3044 S C 1.140 175.639 174.600 -0.169 0.000 1.090 3044 S CA 0.024 58.047 58.200 -0.294 0.000 1.089 3044 S CB 1.502 64.329 63.200 -0.620 0.000 0.997 3044 S HN 0.935 nan 8.310 nan 0.000 0.470 3045 L N 5.772 126.813 121.223 -0.303 0.000 2.027 3045 L HA 0.034 4.365 4.340 -0.014 0.000 0.206 3045 L C 2.559 179.339 176.870 -0.149 0.000 1.074 3045 L CA 2.691 57.363 54.840 -0.279 0.000 0.745 3045 L CB -0.982 40.702 42.059 -0.624 0.000 0.898 3045 L HN 0.892 nan 8.230 nan 0.000 0.433 3046 S N -1.129 114.495 115.700 -0.127 0.000 2.402 3046 S HA -0.200 4.262 4.470 -0.014 0.000 0.229 3046 S C 2.100 176.714 174.600 0.023 0.000 1.021 3046 S CA 1.356 59.543 58.200 -0.022 0.000 0.974 3046 S CB -1.014 62.207 63.200 0.036 0.000 0.800 3046 S HN 0.497 nan 8.310 nan 0.000 0.484 3047 L N 1.395 122.638 121.223 0.033 0.000 2.093 3047 L HA -0.093 4.239 4.340 -0.014 0.000 0.208 3047 L C 1.885 178.761 176.870 0.010 0.000 1.085 3047 L CA 1.677 56.548 54.840 0.051 0.000 0.755 3047 L CB -0.429 41.669 42.059 0.065 0.000 0.904 3047 L HN 0.194 nan 8.230 nan 0.000 0.435 3048 D N -0.025 120.368 120.400 -0.011 0.000 2.178 3048 D HA -0.169 4.463 4.640 -0.014 0.000 0.201 3048 D C 2.174 178.471 176.300 -0.004 0.000 0.980 3048 D CA 1.333 55.329 54.000 -0.007 0.000 0.842 3048 D CB 0.000 40.800 40.800 -0.000 0.000 0.948 3048 D HN 0.394 nan 8.370 nan 0.000 0.472 3049 I N 0.940 121.506 120.570 -0.006 0.000 2.286 3049 I HA -0.178 3.984 4.170 -0.014 0.000 0.245 3049 I C 2.446 178.566 176.117 0.005 0.000 1.104 3049 I CA 0.862 62.162 61.300 0.000 0.000 1.397 3049 I CB -0.179 37.820 38.000 -0.002 0.000 1.072 3049 I HN -0.103 nan 8.210 nan 0.000 0.417 3050 A N 0.694 123.519 122.820 0.009 0.000 2.019 3050 A HA -0.136 4.175 4.320 -0.014 0.000 0.219 3050 A C 2.253 179.830 177.584 -0.012 0.000 1.164 3050 A CA 1.333 53.375 52.037 0.008 0.000 0.644 3050 A CB -0.833 18.180 19.000 0.020 0.000 0.805 3050 A HN 0.420 nan 8.150 nan 0.000 0.449 3051 L N -1.631 119.582 121.223 -0.016 0.000 2.465 3051 L HA 0.034 4.365 4.340 -0.014 0.000 0.224 3051 L C 2.212 179.060 176.870 -0.037 0.000 1.145 3051 L CA 0.653 55.472 54.840 -0.035 0.000 0.834 3051 L CB -0.410 41.632 42.059 -0.027 0.000 0.944 3051 L HN 0.621 nan 8.230 nan 0.000 0.451 3052 G N -0.055 108.733 108.800 -0.020 0.000 2.779 3052 G HA2 -0.460 3.491 3.960 -0.014 0.000 0.230 3052 G HA3 -0.460 3.491 3.960 -0.014 0.000 0.230 3052 G C 1.175 176.070 174.900 -0.007 0.000 1.243 3052 G CA 0.639 45.732 45.100 -0.012 0.000 0.769 3052 G HN 0.451 nan 8.290 nan 0.000 0.516 3053 A N 0.195 123.005 122.820 -0.016 0.000 2.119 3053 A HA 0.509 4.820 4.320 -0.014 0.000 0.216 3053 A C 2.779 180.361 177.584 -0.002 0.000 1.152 3053 A CA 2.238 54.270 52.037 -0.009 0.000 0.708 3053 A CB -0.553 18.437 19.000 -0.017 0.000 0.805 3053 A HN 2.679 nan 8.150 nan 0.000 0.460 3054 G N -3.279 105.519 108.800 -0.003 0.000 2.176 3054 G HA2 0.307 4.259 3.960 -0.014 0.000 0.232 3054 G HA3 0.307 4.259 3.960 -0.014 0.000 0.232 3054 G C 0.835 175.736 174.900 0.001 0.000 0.986 3054 G CA 0.327 45.429 45.100 0.003 0.000 0.643 3054 G HN 2.098 nan 8.290 nan 0.000 0.522 3055 G N -1.393 107.404 108.800 -0.005 0.000 2.317 3055 G HA2 0.536 4.488 3.960 -0.014 0.000 0.293 3055 G HA3 0.536 4.488 3.960 -0.014 0.000 0.293 3055 G C -0.899 173.994 174.900 -0.011 0.000 1.287 3055 G CA -0.499 44.597 45.100 -0.007 0.000 0.850 3055 G HN 0.840 nan 8.290 nan 0.000 0.515 3056 L N 1.986 123.203 121.223 -0.010 0.000 2.371 3056 L HA 0.418 4.750 4.340 -0.014 0.000 0.272 3056 L C -1.772 175.094 176.870 -0.007 0.000 1.124 3056 L CA -1.662 53.172 54.840 -0.010 0.000 0.816 3056 L CB 1.490 43.544 42.059 -0.007 0.000 1.129 3056 L HN 0.299 nan 8.230 nan 0.000 0.448 3057 P HA 0.135 nan 4.420 nan 0.000 0.282 3057 P C -0.723 176.581 177.300 0.006 0.000 1.262 3057 P CA -0.472 62.629 63.100 0.001 0.000 0.773 3057 P CB 0.936 32.636 31.700 0.001 0.000 0.879 3058 M N 2.150 121.753 119.600 0.006 0.000 2.245 3058 M HA 0.196 4.667 4.480 -0.014 0.000 0.344 3058 M C 1.582 177.892 176.300 0.017 0.000 1.170 3058 M CA 0.873 56.177 55.300 0.007 0.000 1.135 3058 M CB -0.597 32.006 32.600 0.005 0.000 1.574 3058 M HN 0.831 nan 8.290 nan 0.000 0.452 3059 G N 2.609 111.419 108.800 0.016 0.000 2.153 3059 G HA2 -0.210 3.741 3.960 -0.014 0.000 0.252 3059 G HA3 -0.210 3.741 3.960 -0.014 0.000 0.252 3059 G C 0.222 175.147 174.900 0.043 0.000 0.994 3059 G CA 0.017 45.132 45.100 0.026 0.000 0.698 3059 G HN 0.562 nan 8.290 nan 0.000 0.521 3060 R N -1.022 119.503 120.500 0.041 0.000 2.960 3060 R HA 0.778 5.109 4.340 -0.014 0.000 0.249 3060 R C 0.043 176.385 176.300 0.069 0.000 1.192 3060 R CA -1.086 55.052 56.100 0.063 0.000 1.035 3060 R CB 0.842 31.174 30.300 0.053 0.000 1.234 3060 R HN 0.195 nan 8.270 nan 0.000 0.493 3061 I N 0.797 121.432 120.570 0.108 0.000 2.412 3061 I HA 0.372 4.534 4.170 -0.014 0.000 0.296 3061 I C -0.416 175.780 176.117 0.131 0.000 0.987 3061 I CA -0.856 60.533 61.300 0.148 0.000 1.180 3061 I CB 1.939 40.073 38.000 0.225 0.000 1.340 3061 I HN -0.016 nan 8.210 nan 0.000 0.455 3062 V N 5.273 125.267 119.914 0.135 0.000 2.656 3062 V HA 0.396 4.508 4.120 -0.014 0.000 0.307 3062 V C -0.475 175.718 176.094 0.165 0.000 1.051 3062 V CA -0.688 61.676 62.300 0.108 0.000 0.893 3062 V CB 2.045 33.898 31.823 0.051 0.000 0.999 3062 V HN 0.734 nan 8.190 nan 0.000 0.426 3063 E N 3.770 124.056 120.200 0.144 0.000 2.187 3063 E HA 0.668 5.009 4.350 -0.014 0.000 0.268 3063 E C -1.572 175.105 176.600 0.129 0.000 0.896 3063 E CA -0.624 55.881 56.400 0.175 0.000 0.766 3063 E CB 1.714 31.519 29.700 0.176 0.000 1.142 3063 E HN 0.649 nan 8.360 nan 0.000 0.408 3064 I N 5.390 126.034 120.570 0.123 0.000 2.406 3064 I HA 0.350 4.512 4.170 -0.014 0.000 0.290 3064 I C -0.903 175.285 176.117 0.119 0.000 0.999 3064 I CA -0.976 60.356 61.300 0.053 0.000 1.124 3064 I CB 0.862 38.885 38.000 0.039 0.000 1.289 3064 I HN 0.513 nan 8.210 nan 0.000 0.441 3065 Y N 3.971 124.297 120.300 0.043 0.000 2.605 3065 Y HA 1.004 5.546 4.550 -0.014 0.000 0.343 3065 Y C -0.175 175.766 175.900 0.068 0.000 1.036 3065 Y CA -1.149 56.974 58.100 0.039 0.000 1.065 3065 Y CB 1.945 40.411 38.460 0.011 0.000 1.288 3065 Y HN 0.675 nan 8.280 nan 0.000 0.481 3066 G N 0.510 109.480 108.800 0.283 0.000 2.328 3066 G HA2 0.445 4.397 3.960 -0.014 0.000 0.295 3066 G HA3 0.445 4.397 3.960 -0.014 0.000 0.295 3066 G C -3.527 171.590 174.900 0.361 0.000 1.413 3066 G CA -1.357 43.883 45.100 0.232 0.000 0.817 3066 G HN 0.492 nan 8.290 nan 0.000 0.546 3067 P HA 0.250 nan 4.420 nan 0.000 0.272 3067 P C -0.223 177.121 177.300 0.073 0.000 1.248 3067 P CA -0.131 63.110 63.100 0.235 0.000 0.799 3067 P CB 0.269 32.013 31.700 0.074 0.000 0.997 3068 E N -0.752 119.115 120.200 -0.555 0.000 2.383 3068 E HA 0.267 4.609 4.350 -0.014 0.000 0.264 3068 E C 0.067 176.558 176.600 -0.181 0.000 1.050 3068 E CA -0.433 55.609 56.400 -0.596 0.000 0.896 3068 E CB -0.395 28.689 29.700 -1.027 0.000 0.982 3068 E HN 0.247 nan 8.360 nan 0.000 0.424 3069 S N 0.360 116.019 115.700 -0.068 0.000 3.614 3069 S HA -0.219 4.242 4.470 -0.014 0.000 0.360 3069 S C 0.939 175.574 174.600 0.058 0.000 1.023 3069 S CA 0.897 59.093 58.200 -0.006 0.000 1.114 3069 S CB -1.617 61.554 63.200 -0.049 0.000 0.907 3069 S HN 0.733 nan 8.310 nan 0.000 0.470 3070 S N -0.502 115.245 115.700 0.078 0.000 2.456 3070 S HA 0.466 4.927 4.470 -0.014 0.000 0.224 3070 S C 1.549 176.215 174.600 0.111 0.000 1.035 3070 S CA 0.896 59.148 58.200 0.087 0.000 0.940 3070 S CB 0.703 63.951 63.200 0.082 0.000 0.799 3070 S HN 1.820 nan 8.310 nan 0.000 0.508 3071 G N 0.943 109.823 108.800 0.134 0.000 2.507 3071 G HA2 -0.109 3.842 3.960 -0.014 0.000 0.205 3071 G HA3 -0.109 3.842 3.960 -0.014 0.000 0.205 3071 G C 0.665 175.663 174.900 0.163 0.000 0.996 3071 G CA 0.080 45.280 45.100 0.168 0.000 0.776 3071 G HN 0.390 nan 8.290 nan 0.000 0.532 3072 K N 0.502 120.988 120.400 0.143 0.000 1.987 3072 K HA -0.117 4.194 4.320 -0.014 0.000 0.216 3072 K C 2.585 179.273 176.600 0.147 0.000 1.051 3072 K CA 2.253 58.620 56.287 0.133 0.000 0.942 3072 K CB -0.616 31.963 32.500 0.131 0.000 0.722 3072 K HN 0.311 nan 8.250 nan 0.000 0.444 3073 T N 0.971 115.623 114.554 0.164 0.000 2.607 3073 T HA -0.196 4.145 4.350 -0.014 0.000 0.267 3073 T C 2.107 176.927 174.700 0.200 0.000 1.049 3073 T CA 2.126 64.350 62.100 0.207 0.000 1.162 3073 T CB -0.858 68.130 68.868 0.201 0.000 0.863 3073 T HN 0.278 nan 8.240 nan 0.000 0.424 3074 T N 2.402 117.079 114.554 0.205 0.000 2.597 3074 T HA -0.126 4.215 4.350 -0.014 0.000 0.267 3074 T C 1.933 176.718 174.700 0.141 0.000 1.053 3074 T CA 1.533 63.761 62.100 0.213 0.000 1.165 3074 T CB -0.741 68.290 68.868 0.272 0.000 0.863 3074 T HN 0.241 nan 8.240 nan 0.000 0.427 3075 L N 0.304 121.614 121.223 0.145 0.000 2.013 3075 L HA -0.208 4.123 4.340 -0.014 0.000 0.212 3075 L C 2.687 179.602 176.870 0.075 0.000 1.073 3075 L CA 1.776 56.678 54.840 0.103 0.000 0.753 3075 L CB -0.820 41.319 42.059 0.134 0.000 0.890 3075 L HN 0.284 nan 8.230 nan 0.000 0.432 3076 T N 0.302 114.919 114.554 0.104 0.000 2.624 3076 T HA -0.268 4.073 4.350 -0.014 0.000 0.268 3076 T C 1.829 176.592 174.700 0.104 0.000 1.041 3076 T CA 2.101 64.267 62.100 0.110 0.000 1.159 3076 T CB -0.383 68.584 68.868 0.164 0.000 0.863 3076 T HN 0.311 nan 8.240 nan 0.000 0.434 3077 L N 0.891 122.179 121.223 0.108 0.000 2.079 3077 L HA -0.150 4.182 4.340 -0.014 0.000 0.210 3077 L C 2.986 179.850 176.870 -0.011 0.000 1.081 3077 L CA 1.134 55.996 54.840 0.037 0.000 0.752 3077 L CB -0.624 41.427 42.059 -0.013 0.000 0.896 3077 L HN 0.280 nan 8.230 nan 0.000 0.433 3078 Q N -0.279 119.513 119.800 -0.014 0.000 2.170 3078 Q HA -0.169 4.162 4.340 -0.014 0.000 0.203 3078 Q C 2.425 178.396 176.000 -0.048 0.000 0.976 3078 Q CA 1.933 57.706 55.803 -0.050 0.000 0.858 3078 Q CB -0.500 28.202 28.738 -0.060 0.000 0.907 3078 Q HN 0.625 nan 8.270 nan 0.000 0.433 3079 V N -1.732 118.169 119.914 -0.022 0.000 2.591 3079 V HA -0.126 3.985 4.120 -0.014 0.000 0.249 3079 V C 2.062 178.144 176.094 -0.021 0.000 1.053 3079 V CA 0.893 63.179 62.300 -0.023 0.000 1.068 3079 V CB -0.500 31.317 31.823 -0.010 0.000 0.689 3079 V HN 0.158 nan 8.190 nan 0.000 0.462 3080 I N 1.406 121.974 120.570 -0.004 0.000 2.142 3080 I HA -0.148 4.013 4.170 -0.014 0.000 0.240 3080 I C 3.034 179.133 176.117 -0.031 0.000 1.078 3080 I CA 1.782 63.080 61.300 -0.003 0.000 1.343 3080 I CB -0.812 37.203 38.000 0.024 0.000 1.046 3080 I HN 0.403 nan 8.210 nan 0.000 0.405 3081 A N 0.918 123.709 122.820 -0.049 0.000 1.873 3081 A HA -0.284 4.028 4.320 -0.014 0.000 0.218 3081 A C 2.564 180.103 177.584 -0.076 0.000 1.193 3081 A CA 2.389 54.384 52.037 -0.070 0.000 0.629 3081 A CB -1.149 17.797 19.000 -0.090 0.000 0.826 3081 A HN 0.456 nan 8.150 nan 0.000 0.447 3082 A N -0.347 122.425 122.820 -0.081 0.000 1.892 3082 A HA 0.054 4.366 4.320 -0.014 0.000 0.218 3082 A C 2.530 180.074 177.584 -0.066 0.000 1.188 3082 A CA 2.633 54.617 52.037 -0.088 0.000 0.631 3082 A CB -1.127 17.823 19.000 -0.084 0.000 0.822 3082 A HN 1.242 nan 8.150 nan 0.000 0.447 3083 A N -1.240 121.551 122.820 -0.048 0.000 1.969 3083 A HA -0.157 4.154 4.320 -0.014 0.000 0.218 3083 A C 2.099 179.661 177.584 -0.037 0.000 1.169 3083 A CA 1.540 53.555 52.037 -0.037 0.000 0.635 3083 A CB -0.453 18.531 19.000 -0.027 0.000 0.810 3083 A HN 0.671 nan 8.150 nan 0.000 0.445 3084 Q N -1.283 118.493 119.800 -0.040 0.000 2.172 3084 Q HA -0.090 4.242 4.340 -0.014 0.000 0.200 3084 Q C 2.244 178.218 176.000 -0.044 0.000 0.964 3084 Q CA 1.086 56.866 55.803 -0.039 0.000 0.855 3084 Q CB -0.063 28.651 28.738 -0.040 0.000 0.918 3084 Q HN 0.539 nan 8.270 nan 0.000 0.444 3085 R N 1.150 121.617 120.500 -0.056 0.000 2.152 3085 R HA -0.126 4.205 4.340 -0.014 0.000 0.232 3085 R C 0.996 177.265 176.300 -0.052 0.000 1.117 3085 R CA 1.246 57.309 56.100 -0.062 0.000 0.981 3085 R CB 0.198 30.448 30.300 -0.083 0.000 0.870 3085 R HN 0.282 nan 8.270 nan 0.000 0.451 3086 E N -1.600 118.572 120.200 -0.047 0.000 2.479 3086 E HA 0.190 4.532 4.350 -0.014 0.000 0.193 3086 E C 0.417 176.999 176.600 -0.029 0.000 1.049 3086 E CA 0.389 56.767 56.400 -0.037 0.000 0.870 3086 E CB 0.792 30.471 29.700 -0.035 0.000 0.944 3086 E HN 0.408 nan 8.360 nan 0.000 0.492 3087 G N 2.154 110.936 108.800 -0.030 0.000 2.171 3087 G HA2 -0.288 3.664 3.960 -0.014 0.000 0.238 3087 G HA3 -0.288 3.664 3.960 -0.014 0.000 0.238 3087 G C -0.134 174.754 174.900 -0.020 0.000 1.039 3087 G CA -0.102 44.984 45.100 -0.024 0.000 0.759 3087 G HN 0.122 nan 8.290 nan 0.000 0.501 3088 K N 0.321 120.708 120.400 -0.021 0.000 2.098 3088 K HA 0.541 4.853 4.320 -0.014 0.000 0.261 3088 K C 0.275 176.865 176.600 -0.016 0.000 0.987 3088 K CA -0.331 55.945 56.287 -0.017 0.000 0.916 3088 K CB 0.951 33.440 32.500 -0.018 0.000 1.039 3088 K HN 0.114 nan 8.250 nan 0.000 0.455 3089 T N 1.713 116.260 114.554 -0.013 0.000 2.780 3089 T HA 0.247 4.588 4.350 -0.014 0.000 0.294 3089 T C -0.204 174.491 174.700 -0.009 0.000 0.949 3089 T CA -0.523 61.571 62.100 -0.010 0.000 1.074 3089 T CB 0.115 68.978 68.868 -0.008 0.000 0.910 3089 T HN 0.515 nan 8.240 nan 0.000 0.501 3090 C N 2.409 121.707 119.300 -0.004 0.000 2.562 3090 C HA 0.979 5.430 4.460 -0.014 0.000 0.332 3090 C C 0.410 175.410 174.990 0.016 0.000 1.201 3090 C CA -0.924 58.097 59.018 0.005 0.000 1.803 3090 C CB 0.898 28.647 27.740 0.015 0.000 2.328 3090 C HN 1.048 nan 8.230 nan 0.000 0.500 3091 A N 1.099 123.932 122.820 0.021 0.000 2.475 3091 A HA 0.868 5.179 4.320 -0.014 0.000 0.301 3091 A C -1.502 176.128 177.584 0.076 0.000 1.059 3091 A CA -0.254 51.804 52.037 0.034 0.000 0.710 3091 A CB 1.109 20.102 19.000 -0.011 0.000 1.288 3091 A HN 0.817 nan 8.150 nan 0.000 0.408 3092 F N 2.703 122.611 119.950 -0.069 0.000 2.529 3092 F HA 0.646 5.165 4.527 -0.013 0.000 0.320 3092 F C -0.831 174.917 175.800 -0.087 0.000 1.118 3092 F CA -0.876 57.078 58.000 -0.076 0.000 0.915 3092 F CB 1.601 40.566 39.000 -0.058 0.000 1.161 3092 F HN 0.372 nan 8.300 nan 0.000 0.445 3093 I N 4.675 124.999 120.570 -0.410 0.000 2.412 3093 I HA 0.138 4.299 4.170 -0.014 0.000 0.279 3093 I C -0.307 175.643 176.117 -0.278 0.000 1.063 3093 I CA -0.429 60.716 61.300 -0.259 0.000 1.193 3093 I CB 0.506 38.350 38.000 -0.259 0.000 1.370 3093 I HN 0.517 nan 8.210 nan 0.000 0.479 3094 D N 4.845 125.233 120.400 -0.020 0.000 2.801 3094 D HA 0.314 4.945 4.640 -0.014 0.000 0.232 3094 D C 1.410 177.635 176.300 -0.125 0.000 1.128 3094 D CA 0.038 54.077 54.000 0.064 0.000 1.003 3094 D CB 0.715 41.641 40.800 0.210 0.000 1.110 3094 D HN 0.586 nan 8.370 nan 0.000 0.477 3095 A N 1.719 124.487 122.820 -0.086 0.000 2.019 3095 A HA -0.150 4.162 4.320 -0.014 0.000 0.219 3095 A C 1.954 179.654 177.584 0.194 0.000 1.164 3095 A CA 0.880 52.925 52.037 0.015 0.000 0.644 3095 A CB -0.262 18.752 19.000 0.024 0.000 0.805 3095 A HN 0.503 nan 8.150 nan 0.000 0.449 3096 E N -1.057 119.209 120.200 0.110 0.000 2.418 3096 E HA -0.108 4.233 4.350 -0.014 0.000 0.197 3096 E C -0.495 176.264 176.600 0.265 0.000 1.026 3096 E CA 0.075 56.554 56.400 0.132 0.000 0.862 3096 E CB -0.186 29.517 29.700 0.006 0.000 0.799 3096 E HN 0.693 nan 8.360 nan 0.000 0.518 3097 H N -2.069 117.060 119.070 0.098 0.000 2.677 3097 H HA -0.219 4.329 4.556 -0.014 0.000 0.321 3097 H C 0.150 175.530 175.328 0.087 0.000 1.171 3097 H CA 0.516 56.621 56.048 0.096 0.000 1.139 3097 H CB -1.235 28.585 29.762 0.096 0.000 1.515 3097 H HN 0.292 nan 8.280 nan 0.000 0.423 3098 A N 0.371 123.278 122.820 0.146 0.000 2.664 3098 A HA 0.171 4.483 4.320 -0.014 0.000 0.222 3098 A C 0.608 178.230 177.584 0.063 0.000 1.320 3098 A CA -0.233 51.866 52.037 0.103 0.000 1.029 3098 A CB 0.676 19.731 19.000 0.092 0.000 1.318 3098 A HN 0.171 nan 8.150 nan 0.000 0.589 3099 L N 1.666 122.924 121.223 0.059 0.000 2.513 3099 L HA 0.364 4.695 4.340 -0.014 0.000 0.272 3099 L C -0.503 176.349 176.870 -0.029 0.000 1.187 3099 L CA 0.306 55.136 54.840 -0.017 0.000 0.895 3099 L CB 0.282 42.257 42.059 -0.140 0.000 1.147 3099 L HN 0.216 nan 8.230 nan 0.000 0.483 3100 D N 7.441 127.834 120.400 -0.011 0.000 2.359 3100 D HA 0.308 4.939 4.640 -0.014 0.000 0.230 3100 D C -1.756 174.549 176.300 0.009 0.000 1.118 3100 D CA -2.286 51.721 54.000 0.011 0.000 0.844 3100 D CB 1.501 42.320 40.800 0.032 0.000 1.059 3100 D HN 0.385 nan 8.370 nan 0.000 0.493 3101 P HA -0.170 nan 4.420 nan 0.000 0.215 3101 P C 1.595 178.886 177.300 -0.016 0.000 1.153 3101 P CA 0.862 63.937 63.100 -0.041 0.000 0.853 3101 P CB 0.446 32.125 31.700 -0.035 0.000 0.788 3102 I N -1.535 119.045 120.570 0.016 0.000 2.179 3102 I HA -0.247 3.915 4.170 -0.014 0.000 0.242 3102 I C 2.776 178.923 176.117 0.050 0.000 1.088 3102 I CA 1.459 62.775 61.300 0.027 0.000 1.357 3102 I CB -1.362 36.661 38.000 0.038 0.000 1.051 3102 I HN -0.145 nan 8.210 nan 0.000 0.409 3103 Y N 1.401 121.680 120.300 -0.035 0.000 2.224 3103 Y HA -0.225 4.317 4.550 -0.013 0.000 0.289 3103 Y C 2.489 178.364 175.900 -0.040 0.000 1.146 3103 Y CA 1.226 59.310 58.100 -0.026 0.000 1.182 3103 Y CB -0.451 37.996 38.460 -0.020 0.000 0.983 3103 Y HN 0.122 nan 8.280 nan 0.000 0.524 3104 A N 0.626 123.417 122.820 -0.049 0.000 1.908 3104 A HA -0.228 4.083 4.320 -0.014 0.000 0.218 3104 A C 2.427 179.909 177.584 -0.169 0.000 1.181 3104 A CA 1.853 53.802 52.037 -0.146 0.000 0.627 3104 A CB -0.778 18.135 19.000 -0.145 0.000 0.818 3104 A HN 0.498 nan 8.150 nan 0.000 0.445 3105 R N -0.042 120.385 120.500 -0.121 0.000 2.092 3105 R HA -0.093 4.239 4.340 -0.014 0.000 0.231 3105 R C 1.930 178.154 176.300 -0.126 0.000 1.119 3105 R CA 1.599 57.636 56.100 -0.104 0.000 0.970 3105 R CB -0.259 30.001 30.300 -0.066 0.000 0.864 3105 R HN 0.530 nan 8.270 nan 0.000 0.440 3106 K N 0.343 120.650 120.400 -0.155 0.000 2.209 3106 K HA -0.096 4.215 4.320 -0.014 0.000 0.204 3106 K C 1.941 178.402 176.600 -0.231 0.000 1.048 3106 K CA 1.014 57.199 56.287 -0.170 0.000 0.940 3106 K CB -0.030 32.368 32.500 -0.169 0.000 0.729 3106 K HN 0.260 nan 8.250 nan 0.000 0.451 3107 L N -0.523 120.508 121.223 -0.320 0.000 2.492 3107 L HA 0.036 4.368 4.340 -0.014 0.000 0.223 3107 L C 1.019 177.785 176.870 -0.174 0.000 1.132 3107 L CA 0.532 55.205 54.840 -0.278 0.000 0.850 3107 L CB -0.034 41.829 42.059 -0.328 0.000 0.966 3107 L HN 0.443 nan 8.230 nan 0.000 0.454 3108 G N 0.241 108.952 108.800 -0.148 0.000 2.145 3108 G HA2 -0.192 3.759 3.960 -0.014 0.000 0.176 3108 G HA3 -0.192 3.759 3.960 -0.014 0.000 0.176 3108 G C -0.061 174.777 174.900 -0.102 0.000 1.013 3108 G CA -0.238 44.794 45.100 -0.113 0.000 0.689 3108 G HN 0.040 nan 8.290 nan 0.000 0.506 3109 V N 0.652 120.503 119.914 -0.106 0.000 2.607 3109 V HA 0.455 4.567 4.120 -0.014 0.000 0.289 3109 V C 0.556 176.604 176.094 -0.077 0.000 1.053 3109 V CA -0.411 61.835 62.300 -0.091 0.000 0.996 3109 V CB 1.805 33.566 31.823 -0.104 0.000 0.995 3109 V HN 0.348 nan 8.190 nan 0.000 0.476 3110 D N 3.701 124.063 120.400 -0.063 0.000 2.402 3110 D HA 0.136 4.767 4.640 -0.014 0.000 0.235 3110 D C 1.035 177.305 176.300 -0.050 0.000 1.226 3110 D CA -0.271 53.698 54.000 -0.052 0.000 0.918 3110 D CB 0.559 41.334 40.800 -0.043 0.000 1.043 3110 D HN 0.284 nan 8.370 nan 0.000 0.506 3111 I N 2.672 123.210 120.570 -0.053 0.000 2.226 3111 I HA -0.209 3.953 4.170 -0.014 0.000 0.245 3111 I C 1.384 177.478 176.117 -0.039 0.000 1.100 3111 I CA 0.908 62.176 61.300 -0.054 0.000 1.374 3111 I CB -0.719 37.249 38.000 -0.052 0.000 1.057 3111 I HN 0.344 nan 8.210 nan 0.000 0.413 3112 D N 0.596 120.977 120.400 -0.032 0.000 2.263 3112 D HA -0.128 4.503 4.640 -0.014 0.000 0.208 3112 D C 1.722 178.010 176.300 -0.019 0.000 0.971 3112 D CA 0.922 54.908 54.000 -0.023 0.000 0.867 3112 D CB -0.250 40.538 40.800 -0.021 0.000 0.929 3112 D HN 0.435 nan 8.370 nan 0.000 0.492 3113 N N -0.201 118.486 118.700 -0.022 0.000 2.197 3113 N HA 0.029 4.760 4.740 -0.014 0.000 0.201 3113 N C 0.041 175.543 175.510 -0.014 0.000 1.148 3113 N CA -0.177 52.863 53.050 -0.017 0.000 0.883 3113 N CB 1.362 39.838 38.487 -0.018 0.000 1.012 3113 N HN 0.135 nan 8.380 nan 0.000 0.507 3114 L N 3.239 124.451 121.223 -0.019 0.000 2.385 3114 L HA 0.262 4.594 4.340 -0.014 0.000 0.281 3114 L C -0.130 176.741 176.870 0.001 0.000 1.106 3114 L CA 0.063 54.896 54.840 -0.011 0.000 0.856 3114 L CB 0.090 42.130 42.059 -0.032 0.000 1.186 3114 L HN 0.012 nan 8.230 nan 0.000 0.453 3115 L N 5.346 126.578 121.223 0.014 0.000 2.456 3115 L HA 0.123 4.455 4.340 -0.014 0.000 0.272 3115 L C 0.120 177.017 176.870 0.046 0.000 1.189 3115 L CA 0.162 55.014 54.840 0.020 0.000 0.846 3115 L CB 0.994 43.062 42.059 0.015 0.000 1.111 3115 L HN 0.743 nan 8.230 nan 0.000 0.475 3116 C N 2.752 122.076 119.300 0.040 0.000 2.891 3116 C HA 0.662 5.113 4.460 -0.014 0.000 0.342 3116 C C -0.514 174.498 174.990 0.035 0.000 1.126 3116 C CA -0.435 58.624 59.018 0.067 0.000 1.322 3116 C CB 1.565 29.332 27.740 0.044 0.000 1.763 3116 C HN 0.824 nan 8.230 nan 0.000 0.491 3117 S N 3.695 119.414 115.700 0.030 0.000 2.575 3117 S HA 0.577 5.039 4.470 -0.014 0.000 0.278 3117 S C -1.387 173.178 174.600 -0.058 0.000 1.139 3117 S CA -0.286 57.903 58.200 -0.017 0.000 0.954 3117 S CB 1.506 64.681 63.200 -0.042 0.000 1.054 3117 S HN 0.861 nan 8.310 nan 0.000 0.483 3118 Q N 4.702 124.446 119.800 -0.093 0.000 2.466 3118 Q HA 0.366 4.698 4.340 -0.014 0.000 0.242 3118 Q C -2.322 173.618 176.000 -0.100 0.000 1.046 3118 Q CA -1.917 53.745 55.803 -0.235 0.000 0.841 3118 Q CB 1.426 29.950 28.738 -0.357 0.000 1.193 3118 Q HN 0.501 nan 8.270 nan 0.000 0.508 3119 P HA 0.117 nan 4.420 nan 0.000 0.276 3119 P C -0.389 176.962 177.300 0.085 0.000 1.252 3119 P CA -0.257 62.821 63.100 -0.037 0.000 0.802 3119 P CB 1.450 33.081 31.700 -0.114 0.000 1.035 3120 D N -0.942 119.491 120.400 0.055 0.000 2.269 3120 D HA -0.001 4.631 4.640 -0.014 0.000 0.220 3120 D C 1.012 177.344 176.300 0.053 0.000 0.962 3120 D CA 1.436 55.486 54.000 0.085 0.000 0.884 3120 D CB -0.274 40.573 40.800 0.078 0.000 1.023 3120 D HN 0.507 nan 8.370 nan 0.000 0.484 3121 T N -2.767 111.797 114.554 0.018 0.000 2.948 3121 T HA 0.538 4.879 4.350 -0.014 0.000 0.285 3121 T C 1.383 176.070 174.700 -0.022 0.000 1.019 3121 T CA -0.293 61.809 62.100 0.004 0.000 1.013 3121 T CB 1.899 70.774 68.868 0.012 0.000 1.117 3121 T HN -0.032 nan 8.240 nan 0.000 0.533 3122 G N 0.074 108.863 108.800 -0.019 0.000 2.394 3122 G HA2 -0.069 3.882 3.960 -0.014 0.000 0.215 3122 G HA3 -0.069 3.882 3.960 -0.014 0.000 0.215 3122 G C 1.159 176.034 174.900 -0.042 0.000 1.165 3122 G CA 0.538 45.624 45.100 -0.024 0.000 0.784 3122 G HN 0.794 nan 8.290 nan 0.000 0.535 3123 E N 0.096 120.276 120.200 -0.033 0.000 2.085 3123 E HA -0.153 4.188 4.350 -0.014 0.000 0.194 3123 E C 2.390 178.947 176.600 -0.072 0.000 0.994 3123 E CA 1.317 57.705 56.400 -0.020 0.000 0.801 3123 E CB -0.231 29.482 29.700 0.021 0.000 0.743 3123 E HN 0.643 nan 8.360 nan 0.000 0.453 3124 Q N 0.321 120.028 119.800 -0.155 0.000 2.030 3124 Q HA -0.247 4.085 4.340 -0.014 0.000 0.204 3124 Q C 2.172 177.852 176.000 -0.533 0.000 0.986 3124 Q CA 1.839 57.306 55.803 -0.560 0.000 0.843 3124 Q CB -0.261 28.175 28.738 -0.504 0.000 0.904 3124 Q HN 0.305 nan 8.270 nan 0.000 0.420 3125 A N 0.691 123.342 122.820 -0.281 0.000 1.892 3125 A HA -0.212 4.099 4.320 -0.014 0.000 0.218 3125 A C 2.072 179.567 177.584 -0.149 0.000 1.188 3125 A CA 1.784 53.704 52.037 -0.196 0.000 0.631 3125 A CB -0.838 18.099 19.000 -0.105 0.000 0.822 3125 A HN 0.474 nan 8.150 nan 0.000 0.447 3126 L N -1.187 119.982 121.223 -0.091 0.000 2.072 3126 L HA -0.104 4.227 4.340 -0.014 0.000 0.205 3126 L C 2.644 179.492 176.870 -0.037 0.000 1.079 3126 L CA 1.074 55.895 54.840 -0.031 0.000 0.752 3126 L CB -0.538 41.525 42.059 0.006 0.000 0.906 3126 L HN 0.277 nan 8.230 nan 0.000 0.436 3127 E N 0.520 120.693 120.200 -0.045 0.000 2.085 3127 E HA -0.222 4.119 4.350 -0.014 0.000 0.194 3127 E C 2.278 178.889 176.600 0.018 0.000 0.994 3127 E CA 1.376 57.795 56.400 0.032 0.000 0.801 3127 E CB -0.206 29.601 29.700 0.178 0.000 0.743 3127 E HN 0.491 nan 8.360 nan 0.000 0.453 3128 I N 0.253 120.757 120.570 -0.110 0.000 2.127 3128 I HA -0.368 3.793 4.170 -0.014 0.000 0.241 3128 I C 2.617 178.708 176.117 -0.043 0.000 1.075 3128 I CA 0.969 62.222 61.300 -0.078 0.000 1.334 3128 I CB -0.315 37.581 38.000 -0.173 0.000 1.040 3128 I HN 0.151 nan 8.210 nan 0.000 0.405 3129 C N 0.353 119.613 119.300 -0.067 0.000 2.393 3129 C HA -0.247 4.204 4.460 -0.014 0.000 0.276 3129 C C 2.596 177.569 174.990 -0.029 0.000 1.215 3129 C CA 1.367 60.347 59.018 -0.062 0.000 1.743 3129 C CB -1.064 26.631 27.740 -0.074 0.000 2.044 3129 C HN 0.548 nan 8.230 nan 0.000 0.464 3130 D N 0.321 120.716 120.400 -0.008 0.000 2.158 3130 D HA -0.110 4.521 4.640 -0.014 0.000 0.197 3130 D C 2.147 178.456 176.300 0.015 0.000 0.995 3130 D CA 1.669 55.672 54.000 0.006 0.000 0.846 3130 D CB -0.196 40.616 40.800 0.021 0.000 0.941 3130 D HN 0.462 nan 8.370 nan 0.000 0.456 3131 A N -0.088 122.749 122.820 0.029 0.000 1.873 3131 A HA -0.080 4.231 4.320 -0.014 0.000 0.215 3131 A C 2.414 180.008 177.584 0.017 0.000 1.186 3131 A CA 1.006 53.065 52.037 0.036 0.000 0.616 3131 A CB -0.777 18.263 19.000 0.067 0.000 0.823 3131 A HN 0.327 nan 8.150 nan 0.000 0.442 3132 L N -0.819 120.407 121.223 0.004 0.000 2.141 3132 L HA -0.148 4.184 4.340 -0.014 0.000 0.209 3132 L C 3.035 179.898 176.870 -0.012 0.000 1.094 3132 L CA 0.794 55.629 54.840 -0.007 0.000 0.763 3132 L CB -0.594 41.452 42.059 -0.022 0.000 0.908 3132 L HN 0.461 nan 8.230 nan 0.000 0.437 3133 A N 0.303 123.114 122.820 -0.016 0.000 1.832 3133 A HA -0.200 4.112 4.320 -0.014 0.000 0.214 3133 A C 2.396 179.976 177.584 -0.007 0.000 1.200 3133 A CA 1.377 53.404 52.037 -0.016 0.000 0.610 3133 A CB -0.560 18.428 19.000 -0.021 0.000 0.842 3133 A HN 0.240 nan 8.150 nan 0.000 0.444 3134 R N 0.186 120.685 120.500 -0.001 0.000 2.139 3134 R HA -0.155 4.176 4.340 -0.014 0.000 0.243 3134 R C 2.591 178.895 176.300 0.007 0.000 1.145 3134 R CA 1.667 57.770 56.100 0.004 0.000 0.976 3134 R CB -0.393 29.913 30.300 0.010 0.000 0.866 3134 R HN 0.769 nan 8.270 nan 0.000 0.449 3135 S N -0.822 114.882 115.700 0.007 0.000 2.400 3135 S HA -0.094 4.367 4.470 -0.014 0.000 0.232 3135 S C 1.654 176.257 174.600 0.005 0.000 1.025 3135 S CA 1.162 59.366 58.200 0.008 0.000 0.993 3135 S CB -0.313 62.892 63.200 0.008 0.000 0.808 3135 S HN 0.537 nan 8.310 nan 0.000 0.478 3136 G N 0.585 109.387 108.800 0.002 0.000 2.155 3136 G HA2 -0.201 3.750 3.960 -0.014 0.000 0.257 3136 G HA3 -0.201 3.750 3.960 -0.014 0.000 0.257 3136 G C 0.798 175.698 174.900 0.001 0.000 0.983 3136 G CA 0.501 45.602 45.100 0.002 0.000 0.676 3136 G HN 1.317 nan 8.290 nan 0.000 0.528 3137 A N -1.103 121.717 122.820 -0.001 0.000 1.956 3137 A HA 0.642 4.953 4.320 -0.014 0.000 0.212 3137 A C 1.267 178.848 177.584 -0.005 0.000 1.188 3137 A CA 1.395 53.431 52.037 -0.001 0.000 0.675 3137 A CB 0.351 19.352 19.000 0.001 0.000 0.845 3137 A HN 1.002 nan 8.150 nan 0.000 0.455 3138 V N 1.422 121.331 119.914 -0.008 0.000 2.607 3138 V HA 0.162 4.274 4.120 -0.014 0.000 0.289 3138 V C 0.308 176.393 176.094 -0.015 0.000 1.053 3138 V CA -0.236 62.056 62.300 -0.013 0.000 0.996 3138 V CB 1.404 33.216 31.823 -0.018 0.000 0.995 3138 V HN 0.447 nan 8.190 nan 0.000 0.476 3139 D N 1.731 122.121 120.400 -0.016 0.000 2.394 3139 D HA 0.106 4.737 4.640 -0.014 0.000 0.226 3139 D C 0.200 176.487 176.300 -0.023 0.000 0.990 3139 D CA 1.011 55.001 54.000 -0.016 0.000 0.902 3139 D CB 1.567 42.359 40.800 -0.013 0.000 1.038 3139 D HN 0.368 nan 8.370 nan 0.000 0.499 3140 V N 1.434 121.332 119.914 -0.027 0.000 2.623 3140 V HA 0.447 4.558 4.120 -0.014 0.000 0.304 3140 V C -1.628 174.435 176.094 -0.051 0.000 1.054 3140 V CA -0.643 61.634 62.300 -0.038 0.000 0.882 3140 V CB 1.819 33.625 31.823 -0.027 0.000 1.002 3140 V HN -0.104 nan 8.190 nan 0.000 0.424 3141 I N 6.866 127.381 120.570 -0.093 0.000 2.465 3141 I HA 0.653 4.814 4.170 -0.014 0.000 0.291 3141 I C -0.571 175.414 176.117 -0.221 0.000 1.014 3141 I CA -1.008 60.208 61.300 -0.140 0.000 1.093 3141 I CB 2.038 39.939 38.000 -0.166 0.000 1.267 3141 I HN 0.559 nan 8.210 nan 0.000 0.431 3142 V N 7.177 126.933 119.914 -0.262 0.000 2.604 3142 V HA 0.610 4.721 4.120 -0.014 0.000 0.305 3142 V C -0.977 174.754 176.094 -0.604 0.000 1.043 3142 V CA -0.375 61.688 62.300 -0.395 0.000 0.888 3142 V CB 2.138 33.795 31.823 -0.276 0.000 0.995 3142 V HN 0.433 nan 8.190 nan 0.000 0.429 3143 V N 5.502 125.074 119.914 -0.570 0.000 2.347 3143 V HA 0.422 4.533 4.120 -0.014 0.000 0.280 3143 V C -0.287 175.589 176.094 -0.362 0.000 1.021 3143 V CA -0.400 61.614 62.300 -0.478 0.000 0.847 3143 V CB 1.368 32.951 31.823 -0.400 0.000 0.990 3143 V HN 0.969 nan 8.190 nan 0.000 0.444 3144 D N 3.517 123.666 120.400 -0.419 0.000 2.365 3144 D HA 0.342 4.973 4.640 -0.014 0.000 0.237 3144 D C 0.030 176.281 176.300 -0.082 0.000 1.190 3144 D CA 0.687 54.560 54.000 -0.211 0.000 0.867 3144 D CB 0.602 41.335 40.800 -0.111 0.000 1.050 3144 D HN 0.646 nan 8.370 nan 0.000 0.491 3145 S N 1.211 116.886 115.700 -0.041 0.000 3.392 3145 S HA -0.147 4.314 4.470 -0.014 0.000 0.693 3145 S C 1.195 175.800 174.600 0.008 0.000 0.620 3145 S CA 0.345 58.523 58.200 -0.036 0.000 1.452 3145 S CB -1.014 62.121 63.200 -0.108 0.000 0.988 3145 S HN 0.536 nan 8.310 nan 0.000 0.932 3146 V N 2.306 122.243 119.914 0.038 0.000 2.626 3146 V HA -0.027 4.084 4.120 -0.014 0.000 0.252 3146 V C 2.346 178.437 176.094 -0.005 0.000 1.067 3146 V CA 2.333 64.652 62.300 0.032 0.000 1.081 3146 V CB -1.139 30.663 31.823 -0.035 0.000 0.686 3146 V HN 1.454 nan 8.190 nan 0.000 0.468 3147 A N 0.913 123.715 122.820 -0.031 0.000 1.958 3147 A HA -0.108 4.204 4.320 -0.014 0.000 0.221 3147 A C 2.362 180.001 177.584 0.091 0.000 1.178 3147 A CA 2.638 54.669 52.037 -0.010 0.000 0.642 3147 A CB -1.077 17.870 19.000 -0.087 0.000 0.816 3147 A HN 1.282 nan 8.150 nan 0.000 0.453 3148 A N -1.649 121.226 122.820 0.091 0.000 2.251 3148 A HA 0.442 4.754 4.320 -0.014 0.000 0.209 3148 A C 0.586 178.236 177.584 0.111 0.000 1.187 3148 A CA -0.060 52.082 52.037 0.174 0.000 0.823 3148 A CB -0.199 18.901 19.000 0.167 0.000 0.846 3148 A HN 0.286 nan 8.150 nan 0.000 0.486 3149 L N 2.369 123.629 121.223 0.061 0.000 2.416 3149 L HA 0.129 4.460 4.340 -0.014 0.000 0.243 3149 L C 0.195 177.074 176.870 0.015 0.000 1.373 3149 L CA 0.556 55.416 54.840 0.033 0.000 1.227 3149 L CB -1.158 40.913 42.059 0.021 0.000 1.428 3149 L HN 0.102 nan 8.230 nan 0.000 0.425 3150 T N 2.803 117.371 114.554 0.024 0.000 2.799 3150 T HA 0.187 4.528 4.350 -0.014 0.000 0.296 3150 T C -2.148 172.532 174.700 -0.033 0.000 0.947 3150 T CA -1.004 61.094 62.100 -0.004 0.000 1.141 3150 T CB 0.332 69.202 68.868 0.003 0.000 0.891 3150 T HN 0.165 nan 8.240 nan 0.000 0.533 3151 P HA 0.090 nan 4.420 nan 0.000 0.268 3151 P C 0.988 178.226 177.300 -0.104 0.000 1.208 3151 P CA -0.437 62.609 63.100 -0.090 0.000 0.777 3151 P CB 0.743 32.364 31.700 -0.132 0.000 0.875 3152 K N 2.289 122.644 120.400 -0.075 0.000 2.009 3152 K HA -0.223 4.088 4.320 -0.014 0.000 0.210 3152 K C 1.821 178.369 176.600 -0.088 0.000 1.049 3152 K CA 1.974 58.230 56.287 -0.052 0.000 0.929 3152 K CB -0.717 31.771 32.500 -0.020 0.000 0.714 3152 K HN 0.468 nan 8.250 nan 0.000 0.440 3153 A N 0.902 123.638 122.820 -0.140 0.000 2.019 3153 A HA -0.218 4.093 4.320 -0.014 0.000 0.219 3153 A C 1.929 179.336 177.584 -0.294 0.000 1.164 3153 A CA 1.883 53.820 52.037 -0.167 0.000 0.644 3153 A CB -0.472 18.432 19.000 -0.160 0.000 0.805 3153 A HN 0.597 nan 8.150 nan 0.000 0.449 3154 E N -0.160 119.758 120.200 -0.470 0.000 2.072 3154 E HA -0.111 4.231 4.350 -0.014 0.000 0.190 3154 E C 1.761 178.324 176.600 -0.063 0.000 0.982 3154 E CA 1.151 57.318 56.400 -0.388 0.000 0.803 3154 E CB -0.203 29.311 29.700 -0.311 0.000 0.755 3154 E HN 0.674 nan 8.360 nan 0.000 0.453 3155 I N 0.934 121.465 120.570 -0.066 0.000 2.233 3155 I HA -0.202 3.960 4.170 -0.014 0.000 0.243 3155 I C 2.245 178.362 176.117 -0.000 0.000 1.093 3155 I CA 1.134 62.423 61.300 -0.019 0.000 1.380 3155 I CB -0.258 37.733 38.000 -0.015 0.000 1.067 3155 I HN 0.107 nan 8.210 nan 0.000 0.413 3156 E N 1.062 121.258 120.200 -0.006 0.000 2.150 3156 E HA -0.050 4.291 4.350 -0.014 0.000 0.193 3156 E C 1.418 178.040 176.600 0.037 0.000 0.985 3156 E CA 0.640 57.047 56.400 0.012 0.000 0.814 3156 E CB -0.176 29.528 29.700 0.007 0.000 0.752 3156 E HN 0.529 nan 8.360 nan 0.000 0.466 3157 G N 0.879 109.720 108.800 0.068 0.000 2.621 3157 G HA2 0.088 4.040 3.960 -0.014 0.000 0.271 3157 G HA3 0.088 4.040 3.960 -0.014 0.000 0.271 3157 G C -0.112 174.841 174.900 0.088 0.000 1.236 3157 G CA -0.509 44.662 45.100 0.119 0.000 0.958 3157 G HN -0.006 nan 8.290 nan 0.000 0.512 3158 E N -1.468 118.775 120.200 0.071 0.000 2.330 3158 E HA 0.302 4.643 4.350 -0.014 0.000 0.256 3158 E C -0.231 176.396 176.600 0.046 0.000 1.146 3158 E CA -0.521 55.904 56.400 0.043 0.000 0.945 3158 E CB 1.467 31.180 29.700 0.021 0.000 1.182 3158 E HN 0.222 nan 8.360 nan 0.000 0.480 3159 I N 0.932 121.518 120.570 0.026 0.000 2.396 3159 I HA 0.169 4.331 4.170 -0.014 0.000 0.289 3159 I C 1.077 177.195 176.117 0.002 0.000 1.056 3159 I CA 0.824 62.134 61.300 0.018 0.000 1.365 3159 I CB 0.638 38.645 38.000 0.011 0.000 1.407 3159 I HN 0.855 nan 8.210 nan 0.000 0.509 3160 G N 4.330 113.124 108.800 -0.010 0.000 2.436 3160 G HA2 -0.215 3.737 3.960 -0.014 0.000 0.204 3160 G HA3 -0.215 3.737 3.960 -0.014 0.000 0.204 3160 G C 0.012 174.869 174.900 -0.071 0.000 1.026 3160 G CA -0.668 44.414 45.100 -0.031 0.000 0.658 3160 G HN 0.527 nan 8.290 nan 0.000 0.499 3161 D N 2.303 122.652 120.400 -0.086 0.000 2.520 3161 D HA 0.433 5.065 4.640 -0.014 0.000 0.243 3161 D C 0.903 176.959 176.300 -0.407 0.000 1.160 3161 D CA 1.126 54.998 54.000 -0.213 0.000 0.877 3161 D CB 1.024 41.727 40.800 -0.161 0.000 1.150 3161 D HN 0.620 nan 8.370 nan 0.000 0.494 3162 S N 3.016 118.485 115.700 -0.385 0.000 2.475 3162 S HA 0.307 4.769 4.470 -0.014 0.000 0.281 3162 S C -0.272 174.054 174.600 -0.457 0.000 1.198 3162 S CA -0.859 57.149 58.200 -0.321 0.000 1.063 3162 S CB 0.966 64.078 63.200 -0.147 0.000 0.972 3162 S HN 0.382 nan 8.310 nan 0.000 0.486 3163 H N 3.240 122.302 119.070 -0.013 0.000 2.539 3163 H HA 0.275 4.822 4.556 -0.014 0.000 0.247 3163 H C -0.433 174.886 175.328 -0.016 0.000 1.363 3163 H CA -0.439 55.601 56.048 -0.013 0.000 1.371 3163 H CB 0.209 29.964 29.762 -0.012 0.000 1.438 3163 H HN 0.567 nan 8.280 nan 0.000 0.523 3164 M N 0.867 120.494 119.600 0.045 0.000 2.338 3164 M HA -0.006 4.465 4.480 -0.014 0.000 0.360 3164 M C 1.297 177.614 176.300 0.028 0.000 1.547 3164 M CA 0.748 56.061 55.300 0.021 0.000 1.001 3164 M CB 0.403 33.003 32.600 0.001 0.000 2.008 3164 M HN 0.874 nan 8.290 nan 0.000 0.464 3165 G N 3.585 112.396 108.800 0.017 0.000 2.468 3165 G HA2 -0.280 3.671 3.960 -0.014 0.000 0.311 3165 G HA3 -0.280 3.671 3.960 -0.014 0.000 0.311 3165 G C 0.727 175.632 174.900 0.009 0.000 0.942 3165 G CA 0.744 45.848 45.100 0.007 0.000 0.893 3165 G HN 0.829 nan 8.290 nan 0.000 0.513 3166 L N -0.734 120.505 121.223 0.027 0.000 2.072 3166 L HA 0.180 4.512 4.340 -0.014 0.000 0.205 3166 L C 3.073 179.935 176.870 -0.014 0.000 1.079 3166 L CA 2.073 56.921 54.840 0.013 0.000 0.752 3166 L CB -0.382 41.695 42.059 0.031 0.000 0.906 3166 L HN 0.372 nan 8.230 nan 0.000 0.436 3167 A N -0.196 122.615 122.820 -0.014 0.000 1.883 3167 A HA -0.229 4.083 4.320 -0.014 0.000 0.217 3167 A C 2.406 179.968 177.584 -0.037 0.000 1.186 3167 A CA 1.884 53.903 52.037 -0.030 0.000 0.624 3167 A CB -1.007 17.979 19.000 -0.023 0.000 0.822 3167 A HN 0.546 nan 8.150 nan 0.000 0.444 3168 A N -0.637 122.165 122.820 -0.030 0.000 1.930 3168 A HA -0.120 4.191 4.320 -0.014 0.000 0.217 3168 A C 2.228 179.792 177.584 -0.034 0.000 1.175 3168 A CA 1.692 53.708 52.037 -0.035 0.000 0.627 3168 A CB -0.438 18.549 19.000 -0.023 0.000 0.815 3168 A HN 0.551 nan 8.150 nan 0.000 0.443 3169 R N -0.883 119.602 120.500 -0.025 0.000 2.115 3169 R HA -0.051 4.281 4.340 -0.014 0.000 0.230 3169 R C 2.183 178.465 176.300 -0.030 0.000 1.111 3169 R CA 1.534 57.620 56.100 -0.022 0.000 0.976 3169 R CB -0.295 29.997 30.300 -0.014 0.000 0.870 3169 R HN 0.623 nan 8.270 nan 0.000 0.445 3170 M N -0.339 119.239 119.600 -0.036 0.000 2.099 3170 M HA -0.177 4.294 4.480 -0.014 0.000 0.262 3170 M C 1.760 178.024 176.300 -0.060 0.000 1.067 3170 M CA 1.498 56.774 55.300 -0.041 0.000 1.124 3170 M CB 0.032 32.608 32.600 -0.041 0.000 1.353 3170 M HN 0.212 nan 8.290 nan 0.000 0.410 3171 M N -0.410 119.142 119.600 -0.080 0.000 2.108 3171 M HA -0.197 4.275 4.480 -0.014 0.000 0.261 3171 M C 2.368 178.582 176.300 -0.143 0.000 1.066 3171 M CA 1.587 56.809 55.300 -0.129 0.000 1.107 3171 M CB -1.355 31.157 32.600 -0.147 0.000 1.356 3171 M HN 0.350 nan 8.290 nan 0.000 0.406 3172 S N -0.267 115.375 115.700 -0.096 0.000 2.399 3172 S HA -0.175 4.286 4.470 -0.014 0.000 0.231 3172 S C 1.847 176.386 174.600 -0.101 0.000 1.022 3172 S CA 1.228 59.377 58.200 -0.085 0.000 0.983 3172 S CB -0.115 63.066 63.200 -0.031 0.000 0.803 3172 S HN 0.509 nan 8.310 nan 0.000 0.480 3173 Q N 0.184 119.941 119.800 -0.070 0.000 2.083 3173 Q HA -0.019 4.313 4.340 -0.014 0.000 0.198 3173 Q C 2.211 178.163 176.000 -0.079 0.000 0.969 3173 Q CA 1.171 56.945 55.803 -0.048 0.000 0.838 3173 Q CB -0.325 28.409 28.738 -0.007 0.000 0.900 3173 Q HN 0.577 nan 8.270 nan 0.000 0.436 3174 A N 0.986 123.749 122.820 -0.095 0.000 1.883 3174 A HA -0.223 4.089 4.320 -0.014 0.000 0.217 3174 A C 2.050 179.535 177.584 -0.166 0.000 1.186 3174 A CA 1.672 53.654 52.037 -0.092 0.000 0.624 3174 A CB -0.554 18.404 19.000 -0.070 0.000 0.822 3174 A HN 0.393 nan 8.150 nan 0.000 0.444 3175 M N -0.438 118.971 119.600 -0.318 0.000 2.073 3175 M HA -0.195 4.276 4.480 -0.014 0.000 0.258 3175 M C 2.169 178.124 176.300 -0.574 0.000 1.070 3175 M CA 1.792 56.711 55.300 -0.635 0.000 1.103 3175 M CB -1.458 30.417 32.600 -1.209 0.000 1.321 3175 M HN 0.429 nan 8.290 nan 0.000 0.405 3176 R N 0.011 120.282 120.500 -0.382 0.000 2.113 3176 R HA -0.181 4.150 4.340 -0.014 0.000 0.244 3176 R C 2.292 178.560 176.300 -0.053 0.000 1.142 3176 R CA 1.652 57.694 56.100 -0.097 0.000 0.953 3176 R CB -0.351 29.936 30.300 -0.022 0.000 0.860 3176 R HN 0.455 nan 8.270 nan 0.000 0.438 3177 K N 0.308 120.667 120.400 -0.067 0.000 2.097 3177 K HA -0.062 4.250 4.320 -0.014 0.000 0.205 3177 K C 2.137 178.709 176.600 -0.047 0.000 1.050 3177 K CA 0.986 57.249 56.287 -0.039 0.000 0.938 3177 K CB -0.004 32.484 32.500 -0.020 0.000 0.718 3177 K HN 0.181 nan 8.250 nan 0.000 0.442 3178 L N 0.252 121.438 121.223 -0.061 0.000 2.095 3178 L HA -0.052 4.280 4.340 -0.014 0.000 0.204 3178 L C 2.586 179.426 176.870 -0.049 0.000 1.080 3178 L CA 0.630 55.446 54.840 -0.040 0.000 0.759 3178 L CB -0.600 41.455 42.059 -0.006 0.000 0.914 3178 L HN 0.136 nan 8.230 nan 0.000 0.439 3179 A N 0.929 123.724 122.820 -0.041 0.000 1.884 3179 A HA -0.246 4.065 4.320 -0.014 0.000 0.219 3179 A C 2.383 179.815 177.584 -0.254 0.000 1.197 3179 A CA 2.298 54.323 52.037 -0.020 0.000 0.637 3179 A CB -1.496 17.600 19.000 0.159 0.000 0.827 3179 A HN 0.446 nan 8.150 nan 0.000 0.450 3180 G N -0.726 107.846 108.800 -0.381 0.000 2.421 3180 G HA2 -0.289 3.663 3.960 -0.014 0.000 0.216 3180 G HA3 -0.289 3.663 3.960 -0.014 0.000 0.216 3180 G C 1.425 176.164 174.900 -0.268 0.000 1.171 3180 G CA 1.128 45.873 45.100 -0.592 0.000 0.775 3180 G HN 0.725 nan 8.290 nan 0.000 0.543 3181 N N -0.251 118.369 118.700 -0.134 0.000 2.396 3181 N HA 0.069 4.801 4.740 -0.014 0.000 0.180 3181 N C 2.080 177.561 175.510 -0.048 0.000 1.028 3181 N CA 0.126 53.138 53.050 -0.064 0.000 0.893 3181 N CB -0.035 38.430 38.487 -0.036 0.000 0.967 3181 N HN 0.252 nan 8.380 nan 0.000 0.440 3182 L N 0.232 121.421 121.223 -0.057 0.000 2.162 3182 L HA -0.021 4.310 4.340 -0.014 0.000 0.205 3182 L C 2.314 179.179 176.870 -0.008 0.000 1.086 3182 L CA 0.707 55.532 54.840 -0.025 0.000 0.778 3182 L CB -0.060 41.994 42.059 -0.009 0.000 0.928 3182 L HN 0.011 nan 8.230 nan 0.000 0.446 3183 K N 0.624 121.014 120.400 -0.015 0.000 2.007 3183 K HA -0.159 4.153 4.320 -0.014 0.000 0.206 3183 K C 2.038 178.668 176.600 0.049 0.000 1.047 3183 K CA 1.539 57.853 56.287 0.045 0.000 0.937 3183 K CB -0.185 32.398 32.500 0.138 0.000 0.718 3183 K HN 0.095 nan 8.250 nan 0.000 0.438 3184 Q N -0.402 119.420 119.800 0.035 0.000 2.439 3184 Q HA 0.023 4.355 4.340 -0.014 0.000 0.211 3184 Q C 1.024 177.039 176.000 0.026 0.000 0.978 3184 Q CA 1.363 57.192 55.803 0.043 0.000 0.897 3184 Q CB 0.203 28.967 28.738 0.044 0.000 0.956 3184 Q HN 0.220 nan 8.270 nan 0.000 0.483 3185 S N -0.042 115.666 115.700 0.013 0.000 2.523 3185 S HA 0.044 4.506 4.470 -0.014 0.000 0.217 3185 S C 0.188 174.793 174.600 0.009 0.000 0.996 3185 S CA -0.222 57.983 58.200 0.008 0.000 0.921 3185 S CB 0.319 63.519 63.200 -0.000 0.000 0.829 3185 S HN 0.407 nan 8.310 nan 0.000 0.495 3186 N N 2.594 121.302 118.700 0.015 0.000 2.705 3186 N HA -0.139 4.592 4.740 -0.014 0.000 0.255 3186 N C -1.353 174.160 175.510 0.004 0.000 1.008 3186 N CA 0.745 53.803 53.050 0.014 0.000 0.742 3186 N CB -1.418 37.078 38.487 0.015 0.000 0.906 3186 N HN 0.283 nan 8.380 nan 0.000 0.541 3187 T N 1.178 115.732 114.554 -0.001 0.000 2.792 3187 T HA 0.462 4.804 4.350 -0.014 0.000 0.280 3187 T C 0.190 174.880 174.700 -0.015 0.000 0.990 3187 T CA -0.727 61.366 62.100 -0.012 0.000 0.960 3187 T CB 1.757 70.613 68.868 -0.020 0.000 0.939 3187 T HN 0.279 nan 8.240 nan 0.000 0.439 3188 L N 4.214 125.423 121.223 -0.022 0.000 2.349 3188 L HA 0.617 4.948 4.340 -0.014 0.000 0.275 3188 L C -0.970 175.864 176.870 -0.061 0.000 1.115 3188 L CA -0.310 54.513 54.840 -0.027 0.000 0.820 3188 L CB 0.430 42.475 42.059 -0.023 0.000 1.135 3188 L HN 0.641 nan 8.230 nan 0.000 0.445 3189 L N 6.559 127.740 121.223 -0.069 0.000 2.372 3189 L HA 0.549 4.880 4.340 -0.014 0.000 0.274 3189 L C -1.147 175.621 176.870 -0.169 0.000 0.988 3189 L CA -0.449 54.290 54.840 -0.168 0.000 0.833 3189 L CB 1.416 43.363 42.059 -0.186 0.000 1.236 3189 L HN 0.650 nan 8.230 nan 0.000 0.410 3190 I N 4.288 124.714 120.570 -0.240 0.000 2.339 3190 I HA 0.312 4.473 4.170 -0.014 0.000 0.290 3190 I C -0.890 175.059 176.117 -0.279 0.000 0.994 3190 I CA -0.319 60.890 61.300 -0.151 0.000 1.191 3190 I CB 1.396 39.349 38.000 -0.079 0.000 1.343 3190 I HN 0.373 nan 8.210 nan 0.000 0.458 3191 F N 6.461 126.387 119.950 -0.041 0.000 2.404 3191 F HA 0.475 4.993 4.527 -0.014 0.000 0.354 3191 F C 0.409 176.192 175.800 -0.028 0.000 1.122 3191 F CA -0.446 57.523 58.000 -0.052 0.000 1.080 3191 F CB 0.996 39.975 39.000 -0.035 0.000 1.131 3191 F HN 0.218 nan 8.300 nan 0.000 0.471 3192 I N 3.485 124.120 120.570 0.109 0.000 2.395 3192 I HA 0.205 4.366 4.170 -0.014 0.000 0.289 3192 I C -0.177 175.991 176.117 0.086 0.000 1.023 3192 I CA -0.057 61.294 61.300 0.086 0.000 1.350 3192 I CB 1.055 39.078 38.000 0.039 0.000 1.409 3192 I HN 0.654 nan 8.210 nan 0.000 0.507 3193 N N 4.143 122.896 118.700 0.090 0.000 2.262 3193 N HA 0.377 5.109 4.740 -0.014 0.000 0.295 3193 N C -1.309 174.184 175.510 -0.029 0.000 1.161 3193 N CA -0.702 52.362 53.050 0.024 0.000 0.767 3193 N CB 1.789 40.299 38.487 0.038 0.000 1.499 3193 N HN 0.540 nan 8.380 nan 0.000 0.476 3194 Q N 0.944 120.612 119.800 -0.220 0.000 2.193 3194 Q HA 0.493 4.825 4.340 -0.014 0.000 0.246 3194 Q C -0.636 175.153 176.000 -0.352 0.000 0.959 3194 Q CA -0.636 54.842 55.803 -0.542 0.000 0.904 3194 Q CB 2.081 30.174 28.738 -1.074 0.000 1.238 3194 Q HN 0.477 nan 8.270 nan 0.000 0.469 3195 I N 1.621 122.002 120.570 -0.315 0.000 2.359 3195 I HA 0.339 4.500 4.170 -0.014 0.000 0.294 3195 I C -0.070 176.014 176.117 -0.056 0.000 0.987 3195 I CA -0.657 60.608 61.300 -0.058 0.000 1.225 3195 I CB 0.761 38.860 38.000 0.165 0.000 1.366 3195 I HN 0.310 nan 8.210 nan 0.000 0.466 3196 R N 4.797 125.261 120.500 -0.060 0.000 2.832 3196 R HA 0.609 4.941 4.340 -0.014 0.000 0.271 3196 R C -0.853 175.439 176.300 -0.013 0.000 0.996 3196 R CA -1.334 54.752 56.100 -0.023 0.000 0.977 3196 R CB 1.681 31.951 30.300 -0.050 0.000 1.168 3196 R HN 0.418 nan 8.270 nan 0.000 0.482 3197 M N 1.990 121.589 119.600 -0.002 0.000 2.233 3197 M HA 0.242 4.714 4.480 -0.014 0.000 0.355 3197 M C -0.104 176.176 176.300 -0.034 0.000 1.191 3197 M CA -0.140 55.151 55.300 -0.016 0.000 1.101 3197 M CB 0.853 33.448 32.600 -0.008 0.000 1.592 3197 M HN 0.259 nan 8.290 nan 0.000 0.461 3198 K N 5.047 125.417 120.400 -0.050 0.000 2.183 3198 K HA 0.544 4.856 4.320 -0.014 0.000 0.274 3198 K C -0.793 175.766 176.600 -0.067 0.000 1.009 3198 K CA -0.567 55.685 56.287 -0.059 0.000 0.888 3198 K CB 1.247 33.706 32.500 -0.068 0.000 1.078 3198 K HN 0.861 nan 8.250 nan 0.000 0.459 3199 I N 0.297 120.833 120.570 -0.057 0.000 2.412 3199 I HA 0.465 4.626 4.170 -0.014 0.000 0.296 3199 I C 0.330 176.411 176.117 -0.060 0.000 0.987 3199 I CA 0.287 61.554 61.300 -0.055 0.000 1.180 3199 I CB 1.278 39.255 38.000 -0.038 0.000 1.340 3199 I HN 1.002 nan 8.210 nan 0.000 0.455 3200 G N 4.716 113.476 108.800 -0.067 0.000 2.142 3200 G HA2 -0.169 3.782 3.960 -0.014 0.000 0.225 3200 G HA3 -0.169 3.782 3.960 -0.014 0.000 0.225 3200 G C -0.544 174.292 174.900 -0.108 0.000 1.015 3200 G CA 0.088 45.151 45.100 -0.062 0.000 0.716 3200 G HN 0.935 nan 8.290 nan 0.000 0.508 3201 V N 1.949 121.752 119.914 -0.184 0.000 2.483 3201 V HA 0.737 4.849 4.120 -0.014 0.000 0.297 3201 V C 1.044 176.918 176.094 -0.367 0.000 1.027 3201 V CA -0.257 61.808 62.300 -0.392 0.000 0.855 3201 V CB 1.360 32.886 31.823 -0.496 0.000 0.995 3201 V HN 0.316 nan 8.190 nan 0.000 0.424 3202 M N 6.077 125.449 119.600 -0.381 0.000 2.740 3202 M HA 0.276 4.747 4.480 -0.014 0.000 0.253 3202 M C 0.761 176.999 176.300 -0.103 0.000 1.341 3202 M CA 0.576 55.781 55.300 -0.158 0.000 1.176 3202 M CB -0.515 32.072 32.600 -0.022 0.000 1.310 3202 M HN 0.580 nan 8.290 nan 0.000 0.531 3203 F N 1.845 121.796 119.950 0.001 0.000 2.331 3203 F HA 0.685 5.204 4.527 -0.014 0.000 0.293 3203 F C 1.296 177.097 175.800 0.002 0.000 1.277 3203 F CA -0.353 57.648 58.000 0.001 0.000 1.204 3203 F CB -1.075 37.925 39.000 0.001 0.000 1.374 3203 F HN 0.426 nan 8.300 nan 0.000 0.520 3204 G N 0.922 109.902 108.800 0.300 0.000 2.578 3204 G HA2 -0.268 3.683 3.960 -0.014 0.000 0.284 3204 G HA3 -0.268 3.683 3.960 -0.014 0.000 0.284 3204 G C -0.722 174.189 174.900 0.018 0.000 1.283 3204 G CA 0.195 45.402 45.100 0.179 0.000 0.944 3204 G HN 1.457 nan 8.290 nan 0.000 0.558 3205 N N 1.037 119.738 118.700 0.002 0.000 2.370 3205 N HA 0.576 5.307 4.740 -0.014 0.000 0.303 3205 N C -2.152 173.315 175.510 -0.071 0.000 1.103 3205 N CA -1.682 51.354 53.050 -0.023 0.000 0.848 3205 N CB 2.315 40.813 38.487 0.018 0.000 1.235 3205 N HN 0.325 nan 8.380 nan 0.000 0.496 3206 P HA 0.246 nan 4.420 nan 0.000 0.253 3206 P C -0.744 176.521 177.300 -0.057 0.000 1.459 3206 P CA 0.203 63.248 63.100 -0.092 0.000 0.908 3206 P CB 0.151 31.800 31.700 -0.085 0.000 1.470 3207 E N -0.104 120.072 120.200 -0.040 0.000 2.191 3207 E HA 0.421 4.763 4.350 -0.014 0.000 0.278 3207 E C -0.028 176.527 176.600 -0.074 0.000 0.972 3207 E CA -0.308 56.072 56.400 -0.034 0.000 0.804 3207 E CB 1.500 31.203 29.700 0.003 0.000 1.110 3207 E HN 0.059 nan 8.360 nan 0.000 0.394 3208 T N 0.091 114.588 114.554 -0.095 0.000 2.604 3208 T HA 0.499 4.841 4.350 -0.014 0.000 0.267 3208 T C -0.343 174.238 174.700 -0.199 0.000 0.923 3208 T CA -0.720 61.292 62.100 -0.145 0.000 1.077 3208 T CB 1.628 70.433 68.868 -0.105 0.000 1.392 3208 T HN 0.270 nan 8.240 nan 0.000 0.531 3209 T N 1.865 116.298 114.554 -0.202 0.000 2.921 3209 T HA 0.559 4.900 4.350 -0.014 0.000 0.297 3209 T C -0.560 174.051 174.700 -0.148 0.000 1.013 3209 T CA -0.570 61.395 62.100 -0.224 0.000 0.990 3209 T CB 1.331 70.009 68.868 -0.317 0.000 1.023 3209 T HN 0.752 nan 8.240 nan 0.000 0.447 3210 T N 1.311 115.785 114.554 -0.134 0.000 2.900 3210 T HA 0.469 4.811 4.350 -0.014 0.000 0.307 3210 T C 1.311 175.954 174.700 -0.095 0.000 1.065 3210 T CA 0.365 62.406 62.100 -0.100 0.000 1.105 3210 T CB 0.533 69.347 68.868 -0.090 0.000 0.979 3210 T HN 1.178 nan 8.240 nan 0.000 0.544 3211 G N 0.623 109.377 108.800 -0.076 0.000 2.204 3211 G HA2 0.253 4.205 3.960 -0.014 0.000 0.244 3211 G HA3 0.253 4.205 3.960 -0.014 0.000 0.244 3211 G C 0.713 175.569 174.900 -0.073 0.000 1.062 3211 G CA 0.081 45.133 45.100 -0.081 0.000 0.798 3211 G HN 1.827 nan 8.290 nan 0.000 0.496 3212 G N -0.099 108.670 108.800 -0.051 0.000 2.601 3212 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.261 3212 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.261 3212 G C 0.699 175.598 174.900 -0.003 0.000 1.289 3212 G CA 0.540 45.626 45.100 -0.024 0.000 0.920 3212 G HN 0.962 nan 8.290 nan 0.000 0.571 3213 N N 0.658 119.390 118.700 0.054 0.000 2.325 3213 N HA 0.207 4.938 4.740 -0.014 0.000 0.182 3213 N C 2.423 178.082 175.510 0.249 0.000 1.088 3213 N CA 1.251 54.388 53.050 0.143 0.000 0.879 3213 N CB 0.015 38.638 38.487 0.227 0.000 0.983 3213 N HN 0.831 nan 8.380 nan 0.000 0.471 3214 A N 1.482 124.396 122.820 0.157 0.000 1.873 3214 A HA -0.158 4.154 4.320 -0.014 0.000 0.218 3214 A C 2.162 179.902 177.584 0.260 0.000 1.193 3214 A CA 1.188 53.346 52.037 0.201 0.000 0.629 3214 A CB -0.721 18.294 19.000 0.025 0.000 0.826 3214 A HN 0.216 nan 8.150 nan 0.000 0.447 3215 L N -0.182 121.078 121.223 0.063 0.000 2.093 3215 L HA -0.118 4.214 4.340 -0.014 0.000 0.208 3215 L C 2.208 179.132 176.870 0.091 0.000 1.085 3215 L CA 2.081 56.927 54.840 0.010 0.000 0.755 3215 L CB -0.554 41.398 42.059 -0.178 0.000 0.904 3215 L HN 0.362 nan 8.230 nan 0.000 0.435 3216 K N -1.081 119.351 120.400 0.054 0.000 2.059 3216 K HA -0.243 4.069 4.320 -0.014 0.000 0.212 3216 K C 2.047 178.603 176.600 -0.073 0.000 1.050 3216 K CA 2.170 58.422 56.287 -0.057 0.000 0.927 3216 K CB -0.467 31.918 32.500 -0.191 0.000 0.714 3216 K HN 0.274 nan 8.250 nan 0.000 0.447 3217 F N -0.710 119.279 119.950 0.065 0.000 2.128 3217 F HA -0.117 4.401 4.527 -0.014 0.000 0.295 3217 F C 2.124 177.909 175.800 -0.024 0.000 1.100 3217 F CA 1.120 59.124 58.000 0.006 0.000 1.260 3217 F CB -0.392 38.587 39.000 -0.035 0.000 1.009 3217 F HN -0.002 nan 8.300 nan 0.000 0.476 3218 Y N 0.068 120.485 120.300 0.196 0.000 2.395 3218 Y HA 0.189 4.730 4.550 -0.015 0.000 0.293 3218 Y C 1.613 177.567 175.900 0.089 0.000 1.123 3218 Y CA -0.018 58.158 58.100 0.127 0.000 1.227 3218 Y CB -0.680 37.835 38.460 0.092 0.000 1.012 3218 Y HN -0.109 nan 8.280 nan 0.000 0.552 3219 A N -0.134 122.809 122.820 0.204 0.000 2.511 3219 A HA 0.150 4.461 4.320 -0.014 0.000 0.242 3219 A C 1.204 178.832 177.584 0.073 0.000 1.069 3219 A CA 0.403 52.519 52.037 0.132 0.000 0.763 3219 A CB 0.183 19.243 19.000 0.099 0.000 1.001 3219 A HN 0.336 nan 8.150 nan 0.000 0.498 3220 S N 0.554 116.290 115.700 0.059 0.000 2.470 3220 S HA 0.174 4.636 4.470 -0.014 0.000 0.222 3220 S C 0.373 174.956 174.600 -0.028 0.000 1.024 3220 S CA 0.449 58.657 58.200 0.012 0.000 0.931 3220 S CB 0.128 63.340 63.200 0.021 0.000 0.791 3220 S HN 0.556 nan 8.310 nan 0.000 0.513 3221 V N 2.337 122.245 119.914 -0.010 0.000 2.760 3221 V HA 0.495 4.606 4.120 -0.014 0.000 0.309 3221 V C -0.770 175.319 176.094 -0.010 0.000 1.077 3221 V CA -0.829 61.449 62.300 -0.037 0.000 0.910 3221 V CB 2.091 33.894 31.823 -0.034 0.000 1.008 3221 V HN 0.127 nan 8.190 nan 0.000 0.424 3222 R N 3.906 124.386 120.500 -0.034 0.000 2.476 3222 R HA 0.639 4.971 4.340 -0.014 0.000 0.305 3222 R C -1.871 174.401 176.300 -0.047 0.000 0.965 3222 R CA -0.837 55.272 56.100 0.015 0.000 0.867 3222 R CB 2.215 32.556 30.300 0.068 0.000 1.176 3222 R HN 0.369 nan 8.270 nan 0.000 0.447 3223 L N 2.137 123.306 121.223 -0.090 0.000 2.329 3223 L HA 0.349 4.680 4.340 -0.014 0.000 0.279 3223 L C -0.140 176.435 176.870 -0.491 0.000 1.014 3223 L CA -0.403 54.324 54.840 -0.189 0.000 0.814 3223 L CB 1.479 43.478 42.059 -0.099 0.000 1.257 3223 L HN 0.452 nan 8.230 nan 0.000 0.424 3224 D N 3.869 123.994 120.400 -0.458 0.000 2.461 3224 D HA 0.271 4.902 4.640 -0.014 0.000 0.240 3224 D C -0.839 175.303 176.300 -0.263 0.000 1.094 3224 D CA -0.241 53.395 54.000 -0.607 0.000 0.868 3224 D CB 0.940 41.495 40.800 -0.408 0.000 1.062 3224 D HN 0.448 nan 8.370 nan 0.000 0.530 3225 I N 3.094 123.541 120.570 -0.206 0.000 2.392 3225 I HA 0.498 4.660 4.170 -0.014 0.000 0.295 3225 I C -0.808 175.283 176.117 -0.044 0.000 0.985 3225 I CA -0.607 60.641 61.300 -0.087 0.000 1.221 3225 I CB 0.604 38.592 38.000 -0.020 0.000 1.366 3225 I HN 0.221 nan 8.210 nan 0.000 0.467 3226 R N 5.750 126.217 120.500 -0.055 0.000 2.584 3226 R HA 0.362 4.693 4.340 -0.014 0.000 0.276 3226 R C -1.044 175.228 176.300 -0.047 0.000 1.046 3226 R CA -0.862 55.221 56.100 -0.027 0.000 0.906 3226 R CB 1.945 32.234 30.300 -0.018 0.000 1.215 3226 R HN 0.572 nan 8.270 nan 0.000 0.449 3227 R N 4.251 124.746 120.500 -0.008 0.000 2.316 3227 R HA 0.138 4.469 4.340 -0.014 0.000 0.314 3227 R C 0.688 176.977 176.300 -0.019 0.000 1.069 3227 R CA 0.161 56.258 56.100 -0.004 0.000 0.959 3227 R CB 0.387 30.721 30.300 0.056 0.000 0.987 3227 R HN 0.779 nan 8.270 nan 0.000 0.446 3228 I N 0.723 121.265 120.570 -0.047 0.000 3.939 3228 I HA 0.466 4.627 4.170 -0.014 0.000 0.313 3228 I C 0.594 176.685 176.117 -0.044 0.000 1.274 3228 I CA -0.130 61.142 61.300 -0.046 0.000 1.301 3228 I CB 0.876 38.838 38.000 -0.063 0.000 1.105 3228 I HN 0.588 nan 8.210 nan 0.000 0.427 3229 G N 0.917 109.688 108.800 -0.049 0.000 2.550 3229 G HA2 0.699 4.650 3.960 -0.014 0.000 0.293 3229 G HA3 0.699 4.650 3.960 -0.014 0.000 0.293 3229 G C -1.943 172.917 174.900 -0.067 0.000 1.402 3229 G CA -0.269 44.797 45.100 -0.058 0.000 0.784 3229 G HN 0.289 nan 8.290 nan 0.000 0.482 3230 A N -0.466 122.301 122.820 -0.089 0.000 2.305 3230 A HA 0.684 4.996 4.320 -0.014 0.000 0.322 3230 A C -0.192 177.344 177.584 -0.080 0.000 1.187 3230 A CA -0.515 51.460 52.037 -0.103 0.000 0.825 3230 A CB 1.454 20.351 19.000 -0.171 0.000 1.164 3230 A HN 1.291 nan 8.150 nan 0.000 0.498 3231 V N 4.334 124.197 119.914 -0.085 0.000 2.356 3231 V HA 0.143 4.254 4.120 -0.014 0.000 0.258 3231 V C 0.490 176.554 176.094 -0.050 0.000 1.065 3231 V CA -0.094 62.160 62.300 -0.076 0.000 0.935 3231 V CB -0.222 31.537 31.823 -0.107 0.000 1.061 3231 V HN 0.823 nan 8.190 nan 0.000 0.484 3232 K N 3.064 123.442 120.400 -0.036 0.000 2.090 3232 K HA 0.494 4.805 4.320 -0.014 0.000 0.249 3232 K C 0.041 176.637 176.600 -0.007 0.000 0.995 3232 K CA -0.622 55.653 56.287 -0.020 0.000 0.914 3232 K CB 1.345 33.829 32.500 -0.026 0.000 1.057 3232 K HN 0.462 nan 8.250 nan 0.000 0.462 3233 E N 0.787 120.990 120.200 0.005 0.000 4.129 3233 E HA 0.136 4.477 4.350 -0.014 0.000 0.222 3233 E C 0.389 176.995 176.600 0.010 0.000 1.179 3233 E CA -0.031 56.375 56.400 0.010 0.000 1.334 3233 E CB 0.748 30.462 29.700 0.022 0.000 1.202 3233 E HN 1.019 nan 8.360 nan 0.000 0.428 3234 G N 2.014 110.816 108.800 0.004 0.000 5.431 3234 G HA2 -0.399 3.552 3.960 -0.014 0.000 0.322 3234 G HA3 -0.399 3.552 3.960 -0.014 0.000 0.322 3234 G C 1.063 175.967 174.900 0.006 0.000 1.370 3234 G CA 0.727 45.830 45.100 0.004 0.000 0.963 3234 G HN 0.403 nan 8.290 nan 0.000 0.797 3235 E N 1.516 121.724 120.200 0.014 0.000 2.162 3235 E HA 0.084 4.426 4.350 -0.014 0.000 0.193 3235 E C 1.035 177.652 176.600 0.028 0.000 0.953 3235 E CA 0.296 56.707 56.400 0.018 0.000 0.849 3235 E CB -0.114 29.599 29.700 0.022 0.000 0.810 3235 E HN 0.635 nan 8.360 nan 0.000 0.470 3236 N N 0.434 119.156 118.700 0.037 0.000 2.525 3236 N HA 0.115 4.846 4.740 -0.014 0.000 0.271 3236 N C -0.798 174.750 175.510 0.064 0.000 1.194 3236 N CA -0.102 52.984 53.050 0.060 0.000 0.964 3236 N CB 1.657 40.184 38.487 0.067 0.000 1.126 3236 N HN -0.215 nan 8.380 nan 0.000 0.452 3237 V N 2.301 122.281 119.914 0.111 0.000 2.318 3237 V HA 0.121 4.232 4.120 -0.014 0.000 0.271 3237 V C 0.567 176.811 176.094 0.249 0.000 1.030 3237 V CA -0.315 62.068 62.300 0.139 0.000 0.844 3237 V CB 1.173 33.082 31.823 0.144 0.000 1.015 3237 V HN 0.546 nan 8.190 nan 0.000 0.460 3238 V N 4.357 124.344 119.914 0.122 0.000 3.643 3238 V HA 0.644 4.755 4.120 -0.014 0.000 0.280 3238 V C 0.825 176.769 176.094 -0.250 0.000 1.351 3238 V CA 1.254 63.613 62.300 0.099 0.000 1.073 3238 V CB 0.254 32.107 31.823 0.051 0.000 0.863 3238 V HN 0.915 nan 8.190 nan 0.000 0.436 3239 G N -1.147 107.336 108.800 -0.528 0.000 2.559 3239 G HA2 0.470 4.422 3.960 -0.014 0.000 0.291 3239 G HA3 0.470 4.422 3.960 -0.014 0.000 0.291 3239 G C -1.477 173.083 174.900 -0.567 0.000 1.424 3239 G CA -0.268 44.217 45.100 -1.026 0.000 0.786 3239 G HN -0.015 nan 8.290 nan 0.000 0.485 3240 S N -0.083 115.389 115.700 -0.380 0.000 2.456 3240 S HA 0.481 4.942 4.470 -0.014 0.000 0.316 3240 S C -0.275 174.287 174.600 -0.065 0.000 1.089 3240 S CA -0.414 57.752 58.200 -0.056 0.000 1.101 3240 S CB 1.586 64.865 63.200 0.131 0.000 0.995 3240 S HN 0.586 nan 8.310 nan 0.000 0.468 3241 E N 2.168 122.327 120.200 -0.069 0.000 2.376 3241 E HA 0.268 4.609 4.350 -0.014 0.000 0.266 3241 E C -0.534 175.982 176.600 -0.140 0.000 1.009 3241 E CA 0.557 56.903 56.400 -0.091 0.000 0.902 3241 E CB 0.522 30.176 29.700 -0.077 0.000 0.972 3241 E HN 0.450 nan 8.360 nan 0.000 0.439 3242 T N 4.961 119.349 114.554 -0.276 0.000 2.893 3242 T HA 0.500 4.842 4.350 -0.014 0.000 0.293 3242 T C -0.907 173.457 174.700 -0.559 0.000 1.027 3242 T CA -0.799 61.039 62.100 -0.437 0.000 0.988 3242 T CB 1.285 69.789 68.868 -0.606 0.000 1.043 3242 T HN 0.381 nan 8.240 nan 0.000 0.461 3243 R N 2.179 122.448 120.500 -0.385 0.000 2.532 3243 R HA 0.689 5.020 4.340 -0.014 0.000 0.297 3243 R C -1.969 174.208 176.300 -0.205 0.000 0.984 3243 R CA -0.503 55.427 56.100 -0.284 0.000 0.884 3243 R CB 1.356 31.566 30.300 -0.151 0.000 1.182 3243 R HN 0.465 nan 8.270 nan 0.000 0.442 3244 V N 4.586 124.410 119.914 -0.150 0.000 2.495 3244 V HA 0.420 4.531 4.120 -0.014 0.000 0.298 3244 V C -0.232 175.840 176.094 -0.035 0.000 1.031 3244 V CA -0.786 61.476 62.300 -0.063 0.000 0.871 3244 V CB 1.881 33.727 31.823 0.038 0.000 0.988 3244 V HN 0.667 nan 8.190 nan 0.000 0.432 3245 K N 2.912 123.283 120.400 -0.048 0.000 2.206 3245 K HA 0.572 4.883 4.320 -0.014 0.000 0.264 3245 K C -0.980 175.591 176.600 -0.048 0.000 0.967 3245 K CA -0.672 55.605 56.287 -0.015 0.000 0.844 3245 K CB 2.187 34.700 32.500 0.021 0.000 1.099 3245 K HN 0.456 nan 8.250 nan 0.000 0.441 3246 V N 4.667 124.552 119.914 -0.049 0.000 2.405 3246 V HA -0.009 4.103 4.120 -0.014 0.000 0.264 3246 V C 1.033 176.993 176.094 -0.223 0.000 1.048 3246 V CA 0.059 62.284 62.300 -0.124 0.000 0.966 3246 V CB 0.934 32.676 31.823 -0.136 0.000 1.015 3246 V HN 0.648 nan 8.190 nan 0.000 0.477 3247 V N 4.008 123.800 119.914 -0.204 0.000 2.949 3247 V HA 0.175 4.287 4.120 -0.014 0.000 0.245 3247 V C 0.819 176.681 176.094 -0.387 0.000 1.086 3247 V CA 0.854 63.025 62.300 -0.214 0.000 1.097 3247 V CB 0.021 31.867 31.823 0.038 0.000 0.762 3247 V HN 0.767 nan 8.190 nan 0.000 0.470 3248 K N 1.102 121.333 120.400 -0.281 0.000 2.371 3248 K HA 0.429 4.740 4.320 -0.014 0.000 0.251 3248 K C -1.495 174.939 176.600 -0.276 0.000 0.934 3248 K CA -0.568 55.546 56.287 -0.289 0.000 0.798 3248 K CB 1.709 34.117 32.500 -0.152 0.000 1.204 3248 K HN 0.114 nan 8.250 nan 0.000 0.427 3249 N N 3.036 121.547 118.700 -0.314 0.000 2.549 3249 N HA 0.197 4.928 4.740 -0.014 0.000 0.290 3249 N C -0.840 174.513 175.510 -0.261 0.000 1.122 3249 N CA -0.310 52.579 53.050 -0.269 0.000 0.885 3249 N CB 1.570 39.872 38.487 -0.309 0.000 1.455 3249 N HN 0.604 nan 8.380 nan 0.000 0.521 3250 K N 2.263 122.550 120.400 -0.189 0.000 2.358 3250 K HA 0.259 4.570 4.320 -0.014 0.000 0.197 3250 K C 0.765 177.251 176.600 -0.190 0.000 1.025 3250 K CA 0.109 56.285 56.287 -0.184 0.000 1.104 3250 K CB 0.614 33.055 32.500 -0.097 0.000 0.855 3250 K HN 0.377 nan 8.250 nan 0.000 0.531 3251 I N -0.196 120.271 120.570 -0.172 0.000 3.883 3251 I HA 0.155 4.316 4.170 -0.014 0.000 0.305 3251 I C 0.252 176.291 176.117 -0.129 0.000 1.247 3251 I CA 0.046 61.273 61.300 -0.122 0.000 1.350 3251 I CB 0.953 38.908 38.000 -0.075 0.000 1.194 3251 I HN -0.052 nan 8.210 nan 0.000 0.441 3252 A N -0.439 122.281 122.820 -0.166 0.000 2.534 3252 A HA 0.852 5.164 4.320 -0.014 0.000 0.300 3252 A C -0.841 176.615 177.584 -0.212 0.000 1.223 3252 A CA -0.183 51.771 52.037 -0.137 0.000 0.666 3252 A CB -0.090 18.864 19.000 -0.077 0.000 1.316 3252 A HN 0.064 nan 8.150 nan 0.000 0.468 3253 A N 1.343 124.075 122.820 -0.147 0.000 2.520 3253 A HA 0.552 4.863 4.320 -0.014 0.000 0.245 3253 A C -2.055 175.360 177.584 -0.282 0.000 1.072 3253 A CA -0.484 51.418 52.037 -0.224 0.000 0.761 3253 A CB -0.761 18.235 19.000 -0.006 0.000 1.004 3253 A HN 0.510 nan 8.150 nan 0.000 0.499 3254 P HA 0.519 nan 4.420 nan 0.000 0.282 3254 P C -0.111 177.055 177.300 -0.223 0.000 1.287 3254 P CA -0.325 62.473 63.100 -0.503 0.000 0.792 3254 P CB 0.178 31.344 31.700 -0.889 0.000 1.163 3255 F N -4.611 115.299 119.950 -0.067 0.000 2.840 3255 F HA -0.207 4.311 4.527 -0.014 0.000 0.310 3255 F C 0.658 176.461 175.800 0.004 0.000 0.688 3255 F CA 0.785 58.779 58.000 -0.009 0.000 1.286 3255 F CB -2.424 36.597 39.000 0.035 0.000 1.612 3255 F HN 0.227 nan 8.300 nan 0.000 0.335 3256 K N 1.270 121.731 120.400 0.101 0.000 2.202 3256 K HA 0.453 4.765 4.320 -0.014 0.000 0.264 3256 K C 0.436 177.068 176.600 0.053 0.000 1.010 3256 K CA -0.262 56.069 56.287 0.073 0.000 0.940 3256 K CB 0.741 33.264 32.500 0.038 0.000 0.983 3256 K HN 0.418 nan 8.250 nan 0.000 0.475 3257 Q N 0.167 119.997 119.800 0.049 0.000 2.397 3257 Q HA 0.727 5.058 4.340 -0.014 0.000 0.275 3257 Q C -1.715 174.304 176.000 0.031 0.000 1.090 3257 Q CA -1.244 54.579 55.803 0.034 0.000 0.809 3257 Q CB 2.158 30.914 28.738 0.031 0.000 1.362 3257 Q HN 0.525 nan 8.270 nan 0.000 0.431 3258 A N 1.945 124.785 122.820 0.035 0.000 2.355 3258 A HA 0.639 4.951 4.320 -0.014 0.000 0.317 3258 A C -1.104 176.486 177.584 0.011 0.000 1.094 3258 A CA -0.667 51.410 52.037 0.068 0.000 0.764 3258 A CB 1.549 20.637 19.000 0.147 0.000 1.230 3258 A HN 0.796 nan 8.150 nan 0.000 0.448 3259 E N 0.258 120.462 120.200 0.007 0.000 2.244 3259 E HA 0.776 5.117 4.350 -0.014 0.000 0.266 3259 E C -1.094 175.510 176.600 0.007 0.000 0.914 3259 E CA -0.395 55.928 56.400 -0.128 0.000 0.794 3259 E CB 2.093 31.740 29.700 -0.088 0.000 1.210 3259 E HN 0.666 nan 8.360 nan 0.000 0.414 3260 F N -1.940 117.994 119.950 -0.028 0.000 3.194 3260 F HA 0.335 4.854 4.527 -0.014 0.000 0.327 3260 F C -1.723 174.058 175.800 -0.031 0.000 1.141 3260 F CA -1.192 56.786 58.000 -0.036 0.000 0.862 3260 F CB 0.847 39.821 39.000 -0.045 0.000 1.447 3260 F HN 0.177 nan 8.300 nan 0.000 0.479 3261 Q N 1.324 121.340 119.800 0.360 0.000 2.316 3261 Q HA 0.664 4.996 4.340 -0.014 0.000 0.264 3261 Q C -1.263 174.897 176.000 0.265 0.000 0.987 3261 Q CA -0.739 55.175 55.803 0.185 0.000 0.852 3261 Q CB 2.960 31.741 28.738 0.071 0.000 1.287 3261 Q HN 0.566 nan 8.270 nan 0.000 0.448 3262 I N 3.886 124.554 120.570 0.164 0.000 2.307 3262 I HA 0.217 4.378 4.170 -0.014 0.000 0.289 3262 I C -0.486 175.591 176.117 -0.068 0.000 1.021 3262 I CA -0.439 60.936 61.300 0.125 0.000 1.224 3262 I CB 0.595 38.712 38.000 0.195 0.000 1.376 3262 I HN 0.369 nan 8.210 nan 0.000 0.470 3263 L N 7.144 128.348 121.223 -0.032 0.000 2.278 3263 L HA 0.289 4.621 4.340 -0.014 0.000 0.287 3263 L C -0.552 176.340 176.870 0.037 0.000 1.072 3263 L CA -0.809 53.977 54.840 -0.090 0.000 0.819 3263 L CB -0.012 42.038 42.059 -0.014 0.000 1.176 3263 L HN 0.395 nan 8.230 nan 0.000 0.435 3264 Y N 2.338 122.731 120.300 0.154 0.000 2.721 3264 Y HA 0.191 4.732 4.550 -0.015 0.000 0.329 3264 Y C 1.479 177.513 175.900 0.224 0.000 1.211 3264 Y CA 0.563 58.787 58.100 0.208 0.000 1.512 3264 Y CB -0.081 38.468 38.460 0.149 0.000 1.249 3264 Y HN 0.863 nan 8.280 nan 0.000 0.549 3265 G N 2.009 111.135 108.800 0.544 0.000 2.176 3265 G HA2 -0.334 3.617 3.960 -0.014 0.000 0.253 3265 G HA3 -0.334 3.617 3.960 -0.014 0.000 0.253 3265 G C 0.826 175.763 174.900 0.061 0.000 0.979 3265 G CA 0.610 45.900 45.100 0.316 0.000 0.641 3265 G HN 0.631 nan 8.290 nan 0.000 0.530 3266 E N -1.307 118.925 120.200 0.052 0.000 2.444 3266 E HA 0.475 4.816 4.350 -0.014 0.000 0.203 3266 E C 1.336 177.906 176.600 -0.050 0.000 0.847 3266 E CA 1.296 57.689 56.400 -0.011 0.000 1.142 3266 E CB 0.712 30.428 29.700 0.026 0.000 1.125 3266 E HN 1.636 nan 8.360 nan 0.000 0.521 3267 G N 0.617 109.419 108.800 0.003 0.000 2.306 3267 G HA2 -0.103 3.849 3.960 -0.014 0.000 0.262 3267 G HA3 -0.103 3.849 3.960 -0.014 0.000 0.262 3267 G C -0.917 173.998 174.900 0.025 0.000 1.263 3267 G CA -0.471 44.629 45.100 -0.001 0.000 1.088 3267 G HN 0.138 nan 8.290 nan 0.000 0.489 3268 I N 1.726 122.285 120.570 -0.018 0.000 2.581 3268 I HA 0.037 4.198 4.170 -0.014 0.000 0.285 3268 I C 0.725 176.822 176.117 -0.033 0.000 1.129 3268 I CA -0.218 61.041 61.300 -0.068 0.000 1.397 3268 I CB 0.561 38.395 38.000 -0.277 0.000 1.399 3268 I HN 0.441 nan 8.210 nan 0.000 0.537 3269 N N 6.742 125.453 118.700 0.019 0.000 2.543 3269 N HA -0.094 4.637 4.740 -0.014 0.000 0.289 3269 N C 0.598 176.115 175.510 0.011 0.000 1.223 3269 N CA 0.379 53.451 53.050 0.037 0.000 1.080 3269 N CB -0.107 38.412 38.487 0.054 0.000 1.450 3269 N HN 0.506 nan 8.380 nan 0.000 0.501 3270 F N 3.331 123.162 119.950 -0.197 0.000 2.102 3270 F HA -0.180 4.338 4.527 -0.016 0.000 0.298 3270 F C 0.977 176.641 175.800 -0.226 0.000 1.105 3270 F CA 1.454 59.278 58.000 -0.292 0.000 1.239 3270 F CB -0.093 38.621 39.000 -0.476 0.000 0.991 3270 F HN 0.422 nan 8.300 nan 0.000 0.474 3271 Y N 0.546 120.973 120.300 0.212 0.000 2.293 3271 Y HA -0.021 4.525 4.550 -0.007 0.000 0.291 3271 Y C 2.658 178.548 175.900 -0.016 0.000 1.137 3271 Y CA 0.857 59.020 58.100 0.105 0.000 1.202 3271 Y CB -1.448 37.073 38.460 0.101 0.000 0.990 3271 Y HN 0.133 nan 8.280 nan 0.000 0.537 3272 G N 0.061 108.930 108.800 0.115 0.000 2.514 3272 G HA2 -0.296 3.655 3.960 -0.014 0.000 0.217 3272 G HA3 -0.296 3.655 3.960 -0.014 0.000 0.217 3272 G C 1.527 176.416 174.900 -0.018 0.000 1.198 3272 G CA 1.270 46.391 45.100 0.034 0.000 0.780 3272 G HN 0.423 nan 8.290 nan 0.000 0.565 3273 E N -0.275 119.875 120.200 -0.082 0.000 2.070 3273 E HA -0.161 4.181 4.350 -0.014 0.000 0.197 3273 E C 2.417 178.930 176.600 -0.145 0.000 1.004 3273 E CA 1.002 57.321 56.400 -0.135 0.000 0.805 3273 E CB -0.244 29.289 29.700 -0.279 0.000 0.744 3273 E HN 0.316 nan 8.360 nan 0.000 0.451 3274 L N 0.717 121.827 121.223 -0.187 0.000 2.046 3274 L HA -0.164 4.167 4.340 -0.014 0.000 0.208 3274 L C 2.216 179.080 176.870 -0.010 0.000 1.077 3274 L CA 1.342 56.116 54.840 -0.109 0.000 0.747 3274 L CB -0.374 41.678 42.059 -0.011 0.000 0.896 3274 L HN -0.035 nan 8.230 nan 0.000 0.432 3275 V N -0.147 119.774 119.914 0.012 0.000 2.233 3275 V HA -0.329 3.782 4.120 -0.014 0.000 0.247 3275 V C 2.333 178.456 176.094 0.049 0.000 1.050 3275 V CA 2.118 64.426 62.300 0.014 0.000 1.010 3275 V CB -0.777 31.004 31.823 -0.069 0.000 0.637 3275 V HN 0.433 nan 8.190 nan 0.000 0.444 3276 D N -0.168 120.251 120.400 0.031 0.000 2.097 3276 D HA -0.122 4.509 4.640 -0.014 0.000 0.195 3276 D C 2.153 178.479 176.300 0.044 0.000 0.989 3276 D CA 0.994 55.025 54.000 0.053 0.000 0.827 3276 D CB -0.314 40.507 40.800 0.033 0.000 0.966 3276 D HN 0.167 nan 8.370 nan 0.000 0.456 3277 L N 0.618 121.848 121.223 0.011 0.000 2.079 3277 L HA -0.083 4.248 4.340 -0.014 0.000 0.210 3277 L C 2.460 179.350 176.870 0.033 0.000 1.081 3277 L CA 1.668 56.513 54.840 0.008 0.000 0.752 3277 L CB -1.538 40.502 42.059 -0.032 0.000 0.896 3277 L HN 0.096 nan 8.230 nan 0.000 0.433 3278 G N -0.856 107.971 108.800 0.045 0.000 2.402 3278 G HA2 -0.159 3.793 3.960 -0.014 0.000 0.216 3278 G HA3 -0.159 3.793 3.960 -0.014 0.000 0.216 3278 G C 1.725 176.685 174.900 0.100 0.000 1.162 3278 G CA 0.863 46.008 45.100 0.074 0.000 0.777 3278 G HN 0.259 nan 8.290 nan 0.000 0.539 3279 V N 0.678 120.661 119.914 0.115 0.000 2.427 3279 V HA -0.120 3.991 4.120 -0.014 0.000 0.248 3279 V C 2.667 178.807 176.094 0.076 0.000 1.051 3279 V CA 2.032 64.403 62.300 0.118 0.000 1.048 3279 V CB -0.339 31.579 31.823 0.160 0.000 0.666 3279 V HN 0.340 nan 8.190 nan 0.000 0.456 3280 K N -0.172 120.267 120.400 0.065 0.000 2.097 3280 K HA -0.158 4.153 4.320 -0.014 0.000 0.205 3280 K C 1.828 178.455 176.600 0.044 0.000 1.050 3280 K CA 1.160 57.475 56.287 0.047 0.000 0.938 3280 K CB 0.033 32.557 32.500 0.039 0.000 0.718 3280 K HN 0.364 nan 8.250 nan 0.000 0.442 3281 E N 0.583 120.813 120.200 0.051 0.000 2.489 3281 E HA -0.017 4.324 4.350 -0.014 0.000 0.193 3281 E C -0.087 176.547 176.600 0.057 0.000 1.057 3281 E CA 0.162 56.592 56.400 0.050 0.000 0.866 3281 E CB 0.486 30.216 29.700 0.051 0.000 0.916 3281 E HN 0.149 nan 8.360 nan 0.000 0.500 3282 K N -0.401 120.036 120.400 0.061 0.000 3.281 3282 K HA -0.190 4.122 4.320 -0.014 0.000 0.295 3282 K C 0.999 177.649 176.600 0.084 0.000 1.233 3282 K CA 0.435 56.758 56.287 0.061 0.000 0.866 3282 K CB -2.093 30.432 32.500 0.041 0.000 1.265 3282 K HN 0.252 nan 8.250 nan 0.000 0.482 3283 L N -0.329 120.964 121.223 0.117 0.000 2.307 3283 L HA 0.179 4.511 4.340 -0.014 0.000 0.211 3283 L C 1.171 178.203 176.870 0.270 0.000 1.099 3283 L CA 0.649 55.600 54.840 0.185 0.000 0.816 3283 L CB 0.092 42.267 42.059 0.192 0.000 0.952 3283 L HN 0.105 nan 8.230 nan 0.000 0.455 3284 I N -0.356 120.341 120.570 0.212 0.000 2.404 3284 I HA 0.204 4.366 4.170 -0.014 0.000 0.293 3284 I C -0.253 175.952 176.117 0.147 0.000 0.992 3284 I CA -0.609 60.832 61.300 0.236 0.000 1.149 3284 I CB 2.165 40.306 38.000 0.235 0.000 1.315 3284 I HN -0.128 nan 8.210 nan 0.000 0.446 3285 E N 5.487 125.756 120.200 0.114 0.000 2.259 3285 E HA 0.231 4.573 4.350 -0.014 0.000 0.281 3285 E C -0.721 175.862 176.600 -0.028 0.000 1.027 3285 E CA -0.301 56.120 56.400 0.035 0.000 0.838 3285 E CB 0.990 30.699 29.700 0.015 0.000 1.066 3285 E HN 0.275 nan 8.360 nan 0.000 0.401 3286 K N 2.717 123.053 120.400 -0.107 0.000 2.464 3286 K HA 0.494 4.805 4.320 -0.014 0.000 0.252 3286 K C -1.365 175.134 176.600 -0.167 0.000 1.000 3286 K CA -0.598 55.517 56.287 -0.285 0.000 0.951 3286 K CB 0.931 33.192 32.500 -0.398 0.000 1.183 3286 K HN 0.515 nan 8.250 nan 0.000 0.445 3287 A N 3.737 126.495 122.820 -0.103 0.000 3.016 3287 A HA 0.503 4.815 4.320 -0.014 0.000 0.303 3287 A C 0.917 178.509 177.584 0.014 0.000 1.507 3287 A CA 0.366 52.388 52.037 -0.025 0.000 1.196 3287 A CB -0.459 18.543 19.000 0.004 0.000 1.169 3287 A HN 1.056 nan 8.150 nan 0.000 0.544 3288 G N 1.441 110.217 108.800 -0.039 0.000 2.889 3288 G HA2 -0.138 3.814 3.960 -0.014 0.000 0.308 3288 G HA3 -0.138 3.814 3.960 -0.014 0.000 0.308 3288 G C 1.338 176.200 174.900 -0.064 0.000 1.248 3288 G CA 0.798 45.886 45.100 -0.019 0.000 0.982 3288 G HN 1.891 nan 8.290 nan 0.000 0.571 3289 A N -0.783 122.032 122.820 -0.010 0.000 2.348 3289 A HA 0.541 4.853 4.320 -0.014 0.000 0.224 3289 A C 0.470 177.965 177.584 -0.148 0.000 1.227 3289 A CA 0.478 52.468 52.037 -0.078 0.000 0.885 3289 A CB 0.056 19.000 19.000 -0.093 0.000 0.933 3289 A HN 0.546 nan 8.150 nan 0.000 0.506 3290 W N -0.729 120.509 121.300 -0.103 0.000 2.390 3290 W HA 0.577 5.227 4.660 -0.015 0.000 0.312 3290 W C -0.865 175.551 176.519 -0.172 0.000 1.123 3290 W CA -0.084 57.230 57.345 -0.052 0.000 1.202 3290 W CB 0.589 30.020 29.460 -0.049 0.000 1.251 3290 W HN 0.185 nan 8.180 nan 0.000 0.511 3291 Y N 2.344 122.750 120.300 0.178 0.000 2.328 3291 Y HA 0.461 5.004 4.550 -0.011 0.000 0.337 3291 Y C 0.286 176.224 175.900 0.064 0.000 0.966 3291 Y CA -0.599 57.551 58.100 0.083 0.000 1.136 3291 Y CB 1.539 40.004 38.460 0.009 0.000 1.170 3291 Y HN 0.140 nan 8.280 nan 0.000 0.470 3292 S N 2.996 118.788 115.700 0.153 0.000 2.482 3292 S HA 0.410 4.871 4.470 -0.014 0.000 0.303 3292 S C -1.833 172.834 174.600 0.112 0.000 1.091 3292 S CA -0.756 57.486 58.200 0.071 0.000 1.057 3292 S CB 1.128 64.341 63.200 0.021 0.000 1.031 3292 S HN 0.497 nan 8.310 nan 0.000 0.485 3293 Y N 2.851 123.095 120.300 -0.093 0.000 2.326 3293 Y HA 0.372 4.913 4.550 -0.014 0.000 0.331 3293 Y C 0.187 176.072 175.900 -0.025 0.000 0.962 3293 Y CA -0.995 57.079 58.100 -0.044 0.000 1.167 3293 Y CB 0.511 38.946 38.460 -0.042 0.000 1.148 3293 Y HN 0.806 nan 8.280 nan 0.000 0.463 3294 K N 4.950 125.031 120.400 -0.532 0.000 3.148 3294 K HA -0.264 4.048 4.320 -0.014 0.000 0.267 3294 K C 0.962 177.437 176.600 -0.209 0.000 0.996 3294 K CA 0.988 57.008 56.287 -0.444 0.000 0.737 3294 K CB -1.626 30.494 32.500 -0.635 0.000 1.308 3294 K HN 1.327 nan 8.250 nan 0.000 0.470 3295 G N 0.157 108.876 108.800 -0.135 0.000 2.320 3295 G HA2 -0.379 3.572 3.960 -0.014 0.000 0.242 3295 G HA3 -0.379 3.572 3.960 -0.014 0.000 0.242 3295 G C -0.041 174.814 174.900 -0.076 0.000 1.033 3295 G CA 0.532 45.578 45.100 -0.090 0.000 0.620 3295 G HN 0.519 nan 8.290 nan 0.000 0.517 3296 E N 1.709 121.865 120.200 -0.073 0.000 2.259 3296 E HA 0.359 4.701 4.350 -0.014 0.000 0.281 3296 E C 0.184 176.725 176.600 -0.098 0.000 1.037 3296 E CA -0.496 55.866 56.400 -0.063 0.000 0.854 3296 E CB 0.257 29.943 29.700 -0.023 0.000 1.051 3296 E HN 0.323 nan 8.360 nan 0.000 0.409 3297 K N 5.090 125.443 120.400 -0.079 0.000 2.339 3297 K HA 0.116 4.428 4.320 -0.014 0.000 0.286 3297 K C 0.918 177.432 176.600 -0.144 0.000 1.050 3297 K CA 0.070 56.343 56.287 -0.022 0.000 0.956 3297 K CB 0.646 33.171 32.500 0.042 0.000 0.990 3297 K HN 0.572 nan 8.250 nan 0.000 0.475 3298 I N -1.667 118.751 120.570 -0.253 0.000 4.181 3298 I HA 0.292 4.453 4.170 -0.014 0.000 0.331 3298 I C 0.607 176.524 176.117 -0.334 0.000 1.312 3298 I CA -0.307 60.547 61.300 -0.744 0.000 1.146 3298 I CB 1.013 38.249 38.000 -1.273 0.000 1.074 3298 I HN 0.538 nan 8.210 nan 0.000 0.402 3299 G N 0.758 109.530 108.800 -0.047 0.000 2.523 3299 G HA2 0.377 4.328 3.960 -0.014 0.000 0.291 3299 G HA3 0.377 4.328 3.960 -0.014 0.000 0.291 3299 G C -2.101 172.699 174.900 -0.167 0.000 1.450 3299 G CA -0.576 44.486 45.100 -0.064 0.000 0.790 3299 G HN 0.115 nan 8.290 nan 0.000 0.496 3300 Q N 0.111 119.690 119.800 -0.370 0.000 2.363 3300 Q HA 0.528 4.860 4.340 -0.014 0.000 0.265 3300 Q C 0.125 175.975 176.000 -0.251 0.000 1.032 3300 Q CA 0.232 55.663 55.803 -0.621 0.000 0.746 3300 Q CB 1.107 29.248 28.738 -0.996 0.000 1.237 3300 Q HN 2.184 nan 8.270 nan 0.000 0.475 3301 G N 2.863 111.661 108.800 -0.004 0.000 2.764 3301 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.686 3301 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.686 3301 G C 0.192 175.030 174.900 -0.102 0.000 1.258 3301 G CA 0.015 45.161 45.100 0.077 0.000 0.846 3301 G HN 0.757 nan 8.290 nan 0.000 0.596 3302 K N 1.178 121.498 120.400 -0.133 0.000 2.144 3302 K HA -0.196 4.116 4.320 -0.014 0.000 0.209 3302 K C 2.893 179.356 176.600 -0.227 0.000 1.047 3302 K CA 2.723 58.804 56.287 -0.344 0.000 0.927 3302 K CB -0.351 32.072 32.500 -0.129 0.000 0.716 3302 K HN 1.250 nan 8.250 nan 0.000 0.454 3303 A N 1.328 124.073 122.820 -0.126 0.000 1.869 3303 A HA -0.288 4.023 4.320 -0.014 0.000 0.218 3303 A C 1.765 179.298 177.584 -0.085 0.000 1.203 3303 A CA 2.326 54.314 52.037 -0.082 0.000 0.638 3303 A CB -0.984 17.982 19.000 -0.058 0.000 0.831 3303 A HN 0.627 nan 8.150 nan 0.000 0.450 3304 N N -0.233 118.405 118.700 -0.104 0.000 2.171 3304 N HA 0.069 4.801 4.740 -0.014 0.000 0.184 3304 N C 1.963 177.444 175.510 -0.049 0.000 1.021 3304 N CA 0.957 53.967 53.050 -0.066 0.000 0.854 3304 N CB -0.278 38.161 38.487 -0.081 0.000 0.994 3304 N HN 0.502 nan 8.380 nan 0.000 0.426 3305 A N 0.785 123.502 122.820 -0.171 0.000 1.908 3305 A HA -0.189 4.123 4.320 -0.014 0.000 0.218 3305 A C 2.267 179.823 177.584 -0.047 0.000 1.181 3305 A CA 1.935 53.866 52.037 -0.178 0.000 0.627 3305 A CB -1.150 17.502 19.000 -0.581 0.000 0.818 3305 A HN 0.234 nan 8.150 nan 0.000 0.445 3306 T N 0.332 114.833 114.554 -0.088 0.000 2.674 3306 T HA -0.049 4.292 4.350 -0.014 0.000 0.265 3306 T C 2.224 176.903 174.700 -0.035 0.000 1.039 3306 T CA 1.752 63.842 62.100 -0.018 0.000 1.150 3306 T CB -0.537 68.331 68.868 0.001 0.000 0.864 3306 T HN 0.630 nan 8.240 nan 0.000 0.427 3307 A N 0.033 122.841 122.820 -0.020 0.000 2.019 3307 A HA -0.110 4.202 4.320 -0.014 0.000 0.219 3307 A C 2.030 179.592 177.584 -0.036 0.000 1.164 3307 A CA 1.431 53.448 52.037 -0.034 0.000 0.644 3307 A CB -1.017 17.980 19.000 -0.005 0.000 0.805 3307 A HN 0.721 nan 8.150 nan 0.000 0.449 3308 W N 0.263 121.478 121.300 -0.142 0.000 2.407 3308 W HA -0.039 4.616 4.660 -0.008 0.000 0.305 3308 W C 1.726 178.137 176.519 -0.180 0.000 1.196 3308 W CA 1.546 58.818 57.345 -0.121 0.000 1.311 3308 W CB -0.232 29.187 29.460 -0.069 0.000 1.135 3308 W HN 0.227 nan 8.180 nan 0.000 0.514 3309 L N 0.758 121.968 121.223 -0.021 0.000 2.191 3309 L HA -0.225 4.107 4.340 -0.014 0.000 0.212 3309 L C 2.469 178.901 176.870 -0.731 0.000 1.103 3309 L CA 1.412 56.072 54.840 -0.300 0.000 0.769 3309 L CB -0.714 41.272 42.059 -0.121 0.000 0.908 3309 L HN -0.037 nan 8.230 nan 0.000 0.438 3310 K N -0.024 119.913 120.400 -0.772 0.000 2.026 3310 K HA -0.187 4.124 4.320 -0.014 0.000 0.208 3310 K C 1.522 177.831 176.600 -0.485 0.000 1.048 3310 K CA 1.727 57.543 56.287 -0.785 0.000 0.929 3310 K CB 0.038 32.291 32.500 -0.410 0.000 0.713 3310 K HN 0.217 nan 8.250 nan 0.000 0.439 3311 D N 0.045 120.176 120.400 -0.448 0.000 2.277 3311 D HA -0.049 4.582 4.640 -0.014 0.000 0.208 3311 D C -0.278 175.733 176.300 -0.480 0.000 0.962 3311 D CA 0.851 54.611 54.000 -0.400 0.000 0.865 3311 D CB 0.020 40.598 40.800 -0.370 0.000 0.939 3311 D HN 0.128 nan 8.370 nan 0.000 0.510 3312 N N 0.213 118.519 118.700 -0.657 0.000 3.012 3312 N HA 0.195 4.926 4.740 -0.014 0.000 0.270 3312 N C -2.131 173.151 175.510 -0.379 0.000 1.469 3312 N CA -1.135 51.558 53.050 -0.595 0.000 0.928 3312 N CB 1.718 39.595 38.487 -1.017 0.000 1.219 3312 N HN -0.077 nan 8.380 nan 0.000 0.492 3313 P HA -0.119 nan 4.420 nan 0.000 0.220 3313 P C 0.976 178.230 177.300 -0.077 0.000 1.148 3313 P CA 1.049 64.071 63.100 -0.129 0.000 0.803 3313 P CB 0.502 32.151 31.700 -0.086 0.000 0.782 3314 E N -0.512 119.633 120.200 -0.092 0.000 2.051 3314 E HA -0.108 4.233 4.350 -0.014 0.000 0.192 3314 E C 1.843 178.431 176.600 -0.021 0.000 0.991 3314 E CA 1.615 57.989 56.400 -0.044 0.000 0.799 3314 E CB -1.540 28.137 29.700 -0.040 0.000 0.748 3314 E HN 0.295 nan 8.360 nan 0.000 0.449 3315 T N 1.478 116.002 114.554 -0.050 0.000 2.867 3315 T HA 0.007 4.348 4.350 -0.014 0.000 0.268 3315 T C 2.030 176.708 174.700 -0.037 0.000 1.057 3315 T CA 1.141 63.238 62.100 -0.005 0.000 1.136 3315 T CB -0.156 68.729 68.868 0.028 0.000 0.874 3315 T HN 0.255 nan 8.240 nan 0.000 0.466 3316 A N 2.262 125.056 122.820 -0.044 0.000 1.877 3316 A HA -0.106 4.206 4.320 -0.014 0.000 0.216 3316 A C 2.339 179.976 177.584 0.088 0.000 1.186 3316 A CA 1.113 53.175 52.037 0.042 0.000 0.620 3316 A CB -0.317 18.749 19.000 0.111 0.000 0.822 3316 A HN 0.203 nan 8.150 nan 0.000 0.443 3317 K N -0.180 120.261 120.400 0.067 0.000 2.063 3317 K HA -0.199 4.112 4.320 -0.014 0.000 0.208 3317 K C 1.937 178.574 176.600 0.062 0.000 1.048 3317 K CA 1.628 57.954 56.287 0.066 0.000 0.928 3317 K CB -0.451 32.071 32.500 0.036 0.000 0.713 3317 K HN 0.785 nan 8.250 nan 0.000 0.442 3318 E N 0.695 120.928 120.200 0.054 0.000 2.085 3318 E HA -0.166 4.175 4.350 -0.014 0.000 0.194 3318 E C 2.067 178.711 176.600 0.074 0.000 0.994 3318 E CA 1.033 57.476 56.400 0.072 0.000 0.801 3318 E CB -0.015 29.745 29.700 0.100 0.000 0.743 3318 E HN 0.252 nan 8.360 nan 0.000 0.453 3319 I N 0.751 121.342 120.570 0.035 0.000 2.233 3319 I HA -0.199 3.962 4.170 -0.014 0.000 0.243 3319 I C 2.698 178.848 176.117 0.054 0.000 1.093 3319 I CA 1.092 62.407 61.300 0.026 0.000 1.380 3319 I CB -0.388 37.569 38.000 -0.073 0.000 1.067 3319 I HN 0.215 nan 8.210 nan 0.000 0.413 3320 E N 1.823 122.067 120.200 0.073 0.000 2.070 3320 E HA -0.316 4.025 4.350 -0.014 0.000 0.197 3320 E C 2.258 178.900 176.600 0.069 0.000 1.004 3320 E CA 1.581 58.032 56.400 0.085 0.000 0.805 3320 E CB -0.029 29.765 29.700 0.156 0.000 0.744 3320 E HN 0.279 nan 8.360 nan 0.000 0.451 3321 K N 0.605 121.046 120.400 0.068 0.000 2.044 3321 K HA -0.223 4.088 4.320 -0.014 0.000 0.210 3321 K C 2.182 178.814 176.600 0.053 0.000 1.049 3321 K CA 1.766 58.087 56.287 0.057 0.000 0.927 3321 K CB -0.038 32.494 32.500 0.054 0.000 0.713 3321 K HN 0.010 nan 8.250 nan 0.000 0.443 3322 K N 0.050 120.487 120.400 0.062 0.000 2.097 3322 K HA -0.091 4.220 4.320 -0.014 0.000 0.206 3322 K C 1.991 178.623 176.600 0.053 0.000 1.049 3322 K CA 1.093 57.417 56.287 0.063 0.000 0.933 3322 K CB 0.051 32.601 32.500 0.083 0.000 0.717 3322 K HN -0.024 nan 8.250 nan 0.000 0.442 3323 V N 1.153 121.095 119.914 0.048 0.000 2.343 3323 V HA -0.248 3.863 4.120 -0.014 0.000 0.247 3323 V C 2.147 178.257 176.094 0.027 0.000 1.051 3323 V CA 1.673 63.993 62.300 0.034 0.000 1.036 3323 V CB -0.419 31.415 31.823 0.019 0.000 0.654 3323 V HN 0.279 nan 8.190 nan 0.000 0.451 3324 R N -0.114 120.403 120.500 0.030 0.000 2.081 3324 R HA -0.183 4.149 4.340 -0.014 0.000 0.235 3324 R C 2.315 178.632 176.300 0.028 0.000 1.131 3324 R CA 1.790 57.906 56.100 0.027 0.000 0.960 3324 R CB -0.327 29.993 30.300 0.033 0.000 0.856 3324 R HN 0.623 nan 8.270 nan 0.000 0.436 3325 E N 0.626 120.845 120.200 0.032 0.000 2.077 3325 E HA -0.172 4.169 4.350 -0.014 0.000 0.193 3325 E C 2.021 178.639 176.600 0.031 0.000 0.989 3325 E CA 0.961 57.380 56.400 0.031 0.000 0.800 3325 E CB -0.070 29.651 29.700 0.034 0.000 0.746 3325 E HN 0.291 nan 8.360 nan 0.000 0.452 3326 L N 0.146 121.389 121.223 0.033 0.000 2.217 3326 L HA -0.100 4.232 4.340 -0.014 0.000 0.211 3326 L C 1.902 178.790 176.870 0.029 0.000 1.107 3326 L CA 0.785 55.644 54.840 0.032 0.000 0.783 3326 L CB 0.140 42.221 42.059 0.036 0.000 0.919 3326 L HN 0.161 nan 8.230 nan 0.000 0.442 3327 L N -1.504 119.734 121.223 0.026 0.000 3.039 3327 L HA 0.208 4.539 4.340 -0.014 0.000 0.269 3327 L C 0.198 177.081 176.870 0.021 0.000 1.169 3327 L CA -0.263 54.591 54.840 0.023 0.000 0.986 3327 L CB 0.779 42.850 42.059 0.019 0.000 1.377 3327 L HN 0.028 nan 8.230 nan 0.000 0.575 3328 L N 0.943 122.178 121.223 0.021 0.000 2.315 3328 L HA 0.101 4.433 4.340 -0.014 0.000 0.283 3328 L C 1.488 178.371 176.870 0.022 0.000 1.089 3328 L CA -0.064 54.788 54.840 0.019 0.000 0.833 3328 L CB 1.541 43.610 42.059 0.017 0.000 1.170 3328 L HN 0.198 nan 8.230 nan 0.000 0.442 3329 S N 1.458 117.172 115.700 0.023 0.000 2.436 3329 S HA -0.020 4.441 4.470 -0.014 0.000 0.228 3329 S C 0.631 175.250 174.600 0.031 0.000 1.014 3329 S CA 0.186 58.405 58.200 0.031 0.000 0.950 3329 S CB -0.091 63.131 63.200 0.037 0.000 0.784 3329 S HN 0.696 nan 8.310 nan 0.000 0.504 3330 N N 2.509 121.222 118.700 0.023 0.000 2.904 3330 N HA 0.476 5.208 4.740 -0.014 0.000 0.257 3330 N C -3.155 172.366 175.510 0.018 0.000 1.363 3330 N CA -1.557 51.507 53.050 0.023 0.000 0.856 3330 N CB 1.025 39.522 38.487 0.018 0.000 1.166 3330 N HN 0.222 nan 8.380 nan 0.000 0.499 3331 P HA -0.032 nan 4.420 nan 0.000 0.267 3331 P C 0.348 177.657 177.300 0.015 0.000 1.201 3331 P CA 0.076 63.187 63.100 0.017 0.000 0.775 3331 P CB 0.836 32.547 31.700 0.019 0.000 0.854 3332 N N -0.047 118.661 118.700 0.013 0.000 2.332 3332 N HA 0.162 4.893 4.740 -0.014 0.000 0.285 3332 N C 0.177 175.693 175.510 0.010 0.000 1.292 3332 N CA 0.029 53.085 53.050 0.010 0.000 0.947 3332 N CB 0.447 38.939 38.487 0.008 0.000 1.084 3332 N HN 0.329 nan 8.380 nan 0.000 0.529 4002 I N 0.977 121.547 120.570 -0.000 0.000 2.947 4002 I HA 0.061 4.222 4.170 -0.014 0.000 0.263 4002 I C 1.761 177.878 176.117 -0.000 0.000 1.130 4002 I CA 1.168 62.469 61.300 0.000 0.000 1.448 4002 I CB -0.061 37.939 38.000 0.000 0.000 1.222 4002 I HN 0.370 nan 8.210 nan 0.000 0.453 4003 D N 1.072 121.471 120.400 -0.001 0.000 2.355 4003 D HA -0.117 4.514 4.640 -0.014 0.000 0.218 4003 D C 1.420 177.719 176.300 -0.002 0.000 1.004 4003 D CA 0.609 54.608 54.000 -0.002 0.000 0.880 4003 D CB -0.263 40.534 40.800 -0.004 0.000 0.911 4003 D HN 0.421 nan 8.370 nan 0.000 0.528 4004 E N 0.173 120.373 120.200 -0.001 0.000 2.158 4004 E HA -0.034 4.307 4.350 -0.014 0.000 0.191 4004 E C 1.585 178.185 176.600 0.000 0.000 0.982 4004 E CA 0.286 56.685 56.400 -0.001 0.000 0.823 4004 E CB -0.039 29.661 29.700 -0.001 0.000 0.766 4004 E HN 0.209 nan 8.360 nan 0.000 0.468 4005 N N 1.222 119.922 118.700 0.001 0.000 2.270 4005 N HA -0.088 4.643 4.740 -0.014 0.000 0.181 4005 N C 1.459 176.970 175.510 0.002 0.000 1.016 4005 N CA 0.805 53.856 53.050 0.002 0.000 0.870 4005 N CB 0.077 38.566 38.487 0.003 0.000 0.979 4005 N HN 0.160 nan 8.380 nan 0.000 0.431 4006 K N 0.924 121.325 120.400 0.002 0.000 2.057 4006 K HA -0.062 4.249 4.320 -0.014 0.000 0.207 4006 K C 1.885 178.486 176.600 0.001 0.000 1.049 4006 K CA 0.940 57.228 56.287 0.001 0.000 0.931 4006 K CB -0.008 32.492 32.500 -0.000 0.000 0.714 4006 K HN 0.261 nan 8.250 nan 0.000 0.440 4007 Q N 0.541 120.341 119.800 0.001 0.000 2.297 4007 Q HA -0.107 4.225 4.340 -0.014 0.000 0.204 4007 Q C 1.966 177.967 176.000 0.002 0.000 0.962 4007 Q CA 0.798 56.602 55.803 0.001 0.000 0.879 4007 Q CB 0.116 28.854 28.738 -0.000 0.000 0.947 4007 Q HN 0.259 nan 8.270 nan 0.000 0.462 4008 K N 0.886 121.288 120.400 0.003 0.000 1.985 4008 K HA -0.125 4.186 4.320 -0.014 0.000 0.210 4008 K C 1.961 178.564 176.600 0.005 0.000 1.047 4008 K CA 1.298 57.587 56.287 0.003 0.000 0.932 4008 K CB -0.083 32.419 32.500 0.003 0.000 0.716 4008 K HN 0.114 nan 8.250 nan 0.000 0.439 4009 A N 1.078 123.901 122.820 0.005 0.000 2.066 4009 A HA -0.087 4.224 4.320 -0.014 0.000 0.218 4009 A C 1.962 179.550 177.584 0.007 0.000 1.157 4009 A CA 0.911 52.952 52.037 0.006 0.000 0.670 4009 A CB -0.404 18.600 19.000 0.007 0.000 0.804 4009 A HN 0.408 nan 8.150 nan 0.000 0.453 4010 L N -0.148 121.079 121.223 0.006 0.000 1.973 4010 L HA -0.014 4.318 4.340 -0.014 0.000 0.208 4010 L C 2.663 179.538 176.870 0.008 0.000 1.073 4010 L CA 2.330 57.173 54.840 0.006 0.000 0.746 4010 L CB -0.807 41.254 42.059 0.004 0.000 0.891 4010 L HN 0.278 nan 8.230 nan 0.000 0.433 4011 A N -0.261 122.563 122.820 0.007 0.000 1.948 4011 A HA -0.195 4.116 4.320 -0.014 0.000 0.220 4011 A C 2.437 180.027 177.584 0.010 0.000 1.177 4011 A CA 2.089 54.131 52.037 0.008 0.000 0.636 4011 A CB -1.341 17.663 19.000 0.006 0.000 0.815 4011 A HN 0.677 nan 8.150 nan 0.000 0.449 4012 A N -0.309 122.517 122.820 0.009 0.000 1.933 4012 A HA 0.150 4.462 4.320 -0.014 0.000 0.218 4012 A C 2.489 180.081 177.584 0.015 0.000 1.175 4012 A CA 2.108 54.151 52.037 0.010 0.000 0.628 4012 A CB -0.924 18.081 19.000 0.009 0.000 0.814 4012 A HN 1.067 nan 8.150 nan 0.000 0.444 4013 A N -0.723 122.107 122.820 0.017 0.000 1.898 4013 A HA 0.068 4.379 4.320 -0.014 0.000 0.216 4013 A C 2.033 179.636 177.584 0.032 0.000 1.181 4013 A CA 1.516 53.567 52.037 0.024 0.000 0.620 4013 A CB -0.519 18.494 19.000 0.021 0.000 0.819 4013 A HN 0.392 nan 8.150 nan 0.000 0.442 4014 L N -0.066 121.173 121.223 0.026 0.000 2.083 4014 L HA -0.055 4.276 4.340 -0.014 0.000 0.209 4014 L C 2.745 179.634 176.870 0.033 0.000 1.083 4014 L CA 1.735 56.594 54.840 0.031 0.000 0.752 4014 L CB -0.877 41.195 42.059 0.023 0.000 0.899 4014 L HN 0.413 nan 8.230 nan 0.000 0.433 4015 G N -1.226 107.588 108.800 0.023 0.000 2.421 4015 G HA2 -0.360 3.591 3.960 -0.014 0.000 0.216 4015 G HA3 -0.360 3.591 3.960 -0.014 0.000 0.216 4015 G C 1.474 176.384 174.900 0.017 0.000 1.171 4015 G CA 0.907 46.017 45.100 0.017 0.000 0.775 4015 G HN 0.410 nan 8.290 nan 0.000 0.543 4016 Q N 0.640 120.451 119.800 0.019 0.000 2.029 4016 Q HA -0.171 4.160 4.340 -0.014 0.000 0.209 4016 Q C 2.358 178.376 176.000 0.029 0.000 0.999 4016 Q CA 2.046 57.858 55.803 0.016 0.000 0.857 4016 Q CB -0.533 28.219 28.738 0.024 0.000 0.926 4016 Q HN 0.541 nan 8.270 nan 0.000 0.415 4017 I N 0.267 120.882 120.570 0.075 0.000 2.163 4017 I HA -0.262 3.899 4.170 -0.014 0.000 0.243 4017 I C 2.403 178.606 176.117 0.144 0.000 1.085 4017 I CA 1.820 63.216 61.300 0.161 0.000 1.347 4017 I CB -0.395 37.698 38.000 0.156 0.000 1.044 4017 I HN 0.362 nan 8.210 nan 0.000 0.408 4018 E N 0.456 120.706 120.200 0.084 0.000 2.152 4018 E HA -0.175 4.167 4.350 -0.014 0.000 0.192 4018 E C 1.754 178.371 176.600 0.028 0.000 0.983 4018 E CA 0.621 57.062 56.400 0.069 0.000 0.818 4018 E CB -0.004 29.726 29.700 0.049 0.000 0.758 4018 E HN 0.316 nan 8.360 nan 0.000 0.467 4019 K N 0.574 120.973 120.400 -0.001 0.000 2.522 4019 K HA -0.003 4.308 4.320 -0.014 0.000 0.194 4019 K C 1.350 177.894 176.600 -0.093 0.000 1.026 4019 K CA 0.243 56.510 56.287 -0.033 0.000 1.119 4019 K CB 0.306 32.789 32.500 -0.028 0.000 0.856 4019 K HN 0.122 nan 8.250 nan 0.000 0.513 4020 Q N -1.547 118.167 119.800 -0.144 0.000 2.459 4020 Q HA 0.111 4.443 4.340 -0.014 0.000 0.260 4020 Q C 0.056 175.708 176.000 -0.579 0.000 0.828 4020 Q CA 0.291 55.852 55.803 -0.403 0.000 0.987 4020 Q CB 0.738 29.147 28.738 -0.549 0.000 1.216 4020 Q HN 0.162 nan 8.270 nan 0.000 0.558 4021 F N 0.023 119.978 119.950 0.008 0.000 2.775 4021 F HA 0.440 4.959 4.527 -0.014 0.000 0.313 4021 F C 0.493 176.301 175.800 0.014 0.000 1.121 4021 F CA 0.246 58.253 58.000 0.011 0.000 1.206 4021 F CB 1.741 40.748 39.000 0.011 0.000 1.052 4021 F HN 0.036 nan 8.300 nan 0.000 0.524 4022 G N 0.304 109.176 108.800 0.120 0.000 2.539 4022 G HA2 -0.126 3.826 3.960 -0.014 0.000 0.686 4022 G HA3 -0.126 3.826 3.960 -0.014 0.000 0.686 4022 G C 0.544 175.484 174.900 0.067 0.000 1.258 4022 G CA -0.904 44.247 45.100 0.085 0.000 0.846 4022 G HN -0.107 nan 8.290 nan 0.000 0.647 4023 K N 0.109 120.537 120.400 0.047 0.000 2.052 4023 K HA -0.154 4.157 4.320 -0.014 0.000 0.215 4023 K C 1.801 178.425 176.600 0.040 0.000 1.053 4023 K CA 2.144 58.452 56.287 0.036 0.000 0.934 4023 K CB -0.343 32.174 32.500 0.029 0.000 0.717 4023 K HN 1.455 nan 8.250 nan 0.000 0.450 4024 G N 0.726 109.553 108.800 0.046 0.000 4.885 4024 G HA2 0.169 4.120 3.960 -0.014 0.000 0.263 4024 G HA3 0.169 4.120 3.960 -0.014 0.000 0.263 4024 G C 0.749 175.678 174.900 0.048 0.000 1.168 4024 G CA 0.122 45.247 45.100 0.042 0.000 0.906 4024 G HN 0.214 nan 8.290 nan 0.000 0.575 4025 S N -0.083 115.656 115.700 0.065 0.000 2.383 4025 S HA 0.128 4.590 4.470 -0.014 0.000 0.227 4025 S C 0.937 175.559 174.600 0.037 0.000 1.026 4025 S CA 0.414 58.653 58.200 0.065 0.000 0.981 4025 S CB 0.281 63.549 63.200 0.114 0.000 0.818 4025 S HN 0.476 nan 8.310 nan 0.000 0.472 4026 I N 1.721 122.315 120.570 0.040 0.000 2.498 4026 I HA 0.615 4.777 4.170 -0.014 0.000 0.290 4026 I C -1.021 175.111 176.117 0.024 0.000 1.032 4026 I CA -1.349 59.966 61.300 0.025 0.000 1.073 4026 I CB 1.749 39.764 38.000 0.025 0.000 1.251 4026 I HN 0.456 nan 8.210 nan 0.000 0.426 4027 M N 4.613 124.224 119.600 0.018 0.000 2.880 4027 M HA 0.572 5.043 4.480 -0.014 0.000 0.269 4027 M C -1.153 175.152 176.300 0.008 0.000 1.248 4027 M CA -1.089 54.219 55.300 0.014 0.000 0.821 4027 M CB 1.406 34.014 32.600 0.013 0.000 1.650 4027 M HN 0.280 nan 8.290 nan 0.000 0.479 4028 R N 1.199 121.701 120.500 0.004 0.000 2.449 4028 R HA 0.239 4.570 4.340 -0.014 0.000 0.296 4028 R C 0.993 177.288 176.300 -0.009 0.000 1.047 4028 R CA -0.101 55.997 56.100 -0.003 0.000 1.018 4028 R CB 0.250 30.547 30.300 -0.005 0.000 0.962 4028 R HN 0.683 nan 8.270 nan 0.000 0.428 4029 L N 2.454 123.667 121.223 -0.017 0.000 2.081 4029 L HA -0.196 4.136 4.340 -0.014 0.000 0.212 4029 L C 1.752 178.606 176.870 -0.026 0.000 1.080 4029 L CA 2.120 56.943 54.840 -0.029 0.000 0.754 4029 L CB -0.395 41.630 42.059 -0.056 0.000 0.893 4029 L HN 0.978 nan 8.230 nan 0.000 0.433 4030 G N -0.493 108.293 108.800 -0.024 0.000 2.509 4030 G HA2 -0.229 3.722 3.960 -0.014 0.000 0.218 4030 G HA3 -0.229 3.722 3.960 -0.014 0.000 0.218 4030 G C 1.229 176.122 174.900 -0.013 0.000 1.124 4030 G CA 0.746 45.834 45.100 -0.020 0.000 0.776 4030 G HN 0.714 nan 8.290 nan 0.000 0.547 4031 E N -0.483 119.712 120.200 -0.009 0.000 2.490 4031 E HA 0.066 4.407 4.350 -0.014 0.000 0.209 4031 E C -0.142 176.458 176.600 -0.000 0.000 0.971 4031 E CA -0.439 55.959 56.400 -0.004 0.000 0.988 4031 E CB 0.102 29.801 29.700 -0.002 0.000 1.029 4031 E HN 0.120 nan 8.360 nan 0.000 0.496 4032 D N 1.908 122.307 120.400 -0.001 0.000 2.349 4032 D HA 0.001 4.633 4.640 -0.014 0.000 0.266 4032 D C 0.697 177.000 176.300 0.005 0.000 1.293 4032 D CA 0.010 54.012 54.000 0.004 0.000 0.926 4032 D CB 0.733 41.534 40.800 0.003 0.000 1.090 4032 D HN -0.006 nan 8.370 nan 0.000 0.502 4033 R N 1.772 122.277 120.500 0.008 0.000 2.090 4033 R HA -0.080 4.251 4.340 -0.014 0.000 0.228 4033 R C 2.012 178.320 176.300 0.013 0.000 1.110 4033 R CA 0.725 56.830 56.100 0.009 0.000 0.973 4033 R CB -0.913 29.392 30.300 0.009 0.000 0.869 4033 R HN 0.492 nan 8.270 nan 0.000 0.440 4034 S N -0.209 115.502 115.700 0.019 0.000 2.584 4034 S HA -0.093 4.369 4.470 -0.014 0.000 0.240 4034 S C 1.703 176.321 174.600 0.030 0.000 0.975 4034 S CA 0.759 58.975 58.200 0.027 0.000 0.949 4034 S CB -0.060 63.161 63.200 0.036 0.000 0.761 4034 S HN 0.092 nan 8.310 nan 0.000 0.536 4035 M N 1.716 121.328 119.600 0.019 0.000 2.492 4035 M HA 0.284 4.755 4.480 -0.014 0.000 0.255 4035 M C -0.455 175.851 176.300 0.011 0.000 1.139 4035 M CA 0.144 55.453 55.300 0.015 0.000 1.096 4035 M CB 0.126 32.727 32.600 0.000 0.000 1.360 4035 M HN 0.085 nan 8.290 nan 0.000 0.480 4036 D N 0.428 120.835 120.400 0.010 0.000 2.382 4036 D HA 0.111 4.743 4.640 -0.014 0.000 0.240 4036 D C -0.454 175.853 176.300 0.012 0.000 1.146 4036 D CA 0.163 54.168 54.000 0.009 0.000 0.897 4036 D CB 1.109 41.913 40.800 0.007 0.000 1.197 4036 D HN -0.110 nan 8.370 nan 0.000 0.432 4037 V N 1.737 121.657 119.914 0.010 0.000 2.407 4037 V HA 0.178 4.290 4.120 -0.014 0.000 0.278 4037 V C 0.461 176.559 176.094 0.007 0.000 1.037 4037 V CA -0.393 61.913 62.300 0.009 0.000 0.900 4037 V CB 1.386 33.212 31.823 0.005 0.000 0.983 4037 V HN 0.419 nan 8.190 nan 0.000 0.459 4038 E N 3.035 123.239 120.200 0.007 0.000 2.227 4038 E HA 0.661 5.003 4.350 -0.014 0.000 0.268 4038 E C -0.725 175.875 176.600 0.001 0.000 0.907 4038 E CA -0.419 55.984 56.400 0.004 0.000 0.786 4038 E CB 2.332 32.035 29.700 0.005 0.000 1.191 4038 E HN 0.827 nan 8.360 nan 0.000 0.411 4039 T N 0.549 115.102 114.554 -0.002 0.000 2.916 4039 T HA 0.634 4.975 4.350 -0.014 0.000 0.292 4039 T C -0.341 174.356 174.700 -0.006 0.000 1.064 4039 T CA -0.863 61.234 62.100 -0.005 0.000 1.011 4039 T CB 1.073 69.936 68.868 -0.007 0.000 1.152 4039 T HN 0.263 nan 8.240 nan 0.000 0.510 4040 I N 1.629 122.193 120.570 -0.009 0.000 2.509 4040 I HA 0.427 4.588 4.170 -0.014 0.000 0.293 4040 I C 0.733 176.842 176.117 -0.013 0.000 1.020 4040 I CA -0.787 60.506 61.300 -0.011 0.000 1.088 4040 I CB 1.735 39.728 38.000 -0.012 0.000 1.267 4040 I HN 0.949 nan 8.210 nan 0.000 0.430 4041 S N 2.703 118.394 115.700 -0.015 0.000 2.558 4041 S HA 0.041 4.503 4.470 -0.014 0.000 0.288 4041 S C 1.359 175.944 174.600 -0.024 0.000 1.318 4041 S CA 0.399 58.589 58.200 -0.017 0.000 1.056 4041 S CB 0.385 63.577 63.200 -0.013 0.000 0.853 4041 S HN 0.814 nan 8.310 nan 0.000 0.505 4042 T N 1.542 116.077 114.554 -0.032 0.000 3.100 4042 T HA 0.335 4.677 4.350 -0.014 0.000 0.253 4042 T C 1.513 176.172 174.700 -0.068 0.000 1.118 4042 T CA 0.657 62.732 62.100 -0.042 0.000 1.058 4042 T CB -0.396 68.447 68.868 -0.042 0.000 0.953 4042 T HN 1.656 nan 8.240 nan 0.000 0.515 4043 G N 0.749 109.510 108.800 -0.064 0.000 2.199 4043 G HA2 -0.243 3.709 3.960 -0.014 0.000 0.254 4043 G HA3 -0.243 3.709 3.960 -0.014 0.000 0.254 4043 G C 0.199 175.022 174.900 -0.129 0.000 0.982 4043 G CA 0.226 45.284 45.100 -0.071 0.000 0.632 4043 G HN 1.098 nan 8.290 nan 0.000 0.529 4044 S N -0.208 115.368 115.700 -0.207 0.000 2.456 4044 S HA 0.634 5.096 4.470 -0.014 0.000 0.316 4044 S C 1.159 175.648 174.600 -0.185 0.000 1.089 4044 S CA 0.023 58.020 58.200 -0.338 0.000 1.101 4044 S CB 1.490 64.324 63.200 -0.611 0.000 0.995 4044 S HN 0.926 nan 8.310 nan 0.000 0.468 4045 L N 5.795 126.892 121.223 -0.209 0.000 2.027 4045 L HA 0.030 4.362 4.340 -0.014 0.000 0.206 4045 L C 2.578 179.392 176.870 -0.093 0.000 1.074 4045 L CA 2.692 57.440 54.840 -0.153 0.000 0.745 4045 L CB -0.997 40.899 42.059 -0.271 0.000 0.898 4045 L HN 0.896 nan 8.230 nan 0.000 0.433 4046 S N -1.113 114.541 115.700 -0.077 0.000 2.402 4046 S HA -0.207 4.255 4.470 -0.014 0.000 0.229 4046 S C 2.107 176.725 174.600 0.029 0.000 1.021 4046 S CA 1.375 59.574 58.200 -0.002 0.000 0.974 4046 S CB -1.036 62.193 63.200 0.047 0.000 0.800 4046 S HN 0.498 nan 8.310 nan 0.000 0.484 4047 L N 1.372 122.615 121.223 0.034 0.000 2.093 4047 L HA -0.100 4.232 4.340 -0.014 0.000 0.208 4047 L C 1.894 178.766 176.870 0.004 0.000 1.085 4047 L CA 1.710 56.578 54.840 0.045 0.000 0.755 4047 L CB -0.427 41.665 42.059 0.054 0.000 0.904 4047 L HN 0.202 nan 8.230 nan 0.000 0.435 4048 D N -0.075 120.314 120.400 -0.019 0.000 2.178 4048 D HA -0.157 4.474 4.640 -0.014 0.000 0.202 4048 D C 2.179 178.473 176.300 -0.011 0.000 0.974 4048 D CA 1.294 55.284 54.000 -0.018 0.000 0.841 4048 D CB 0.010 40.797 40.800 -0.021 0.000 0.953 4048 D HN 0.391 nan 8.370 nan 0.000 0.478 4049 I N 0.961 121.526 120.570 -0.008 0.000 2.286 4049 I HA -0.181 3.980 4.170 -0.014 0.000 0.245 4049 I C 2.445 178.563 176.117 0.002 0.000 1.104 4049 I CA 0.876 62.175 61.300 -0.002 0.000 1.397 4049 I CB -0.184 37.816 38.000 -0.000 0.000 1.072 4049 I HN -0.103 nan 8.210 nan 0.000 0.417 4050 A N 0.687 123.510 122.820 0.006 0.000 2.019 4050 A HA -0.131 4.180 4.320 -0.014 0.000 0.219 4050 A C 2.256 179.830 177.584 -0.016 0.000 1.164 4050 A CA 1.325 53.364 52.037 0.004 0.000 0.644 4050 A CB -0.821 18.189 19.000 0.016 0.000 0.805 4050 A HN 0.419 nan 8.150 nan 0.000 0.449 4051 L N -1.632 119.578 121.223 -0.021 0.000 2.465 4051 L HA 0.039 4.370 4.340 -0.014 0.000 0.224 4051 L C 2.206 179.052 176.870 -0.041 0.000 1.145 4051 L CA 0.654 55.471 54.840 -0.039 0.000 0.834 4051 L CB -0.386 41.654 42.059 -0.032 0.000 0.944 4051 L HN 0.620 nan 8.230 nan 0.000 0.451 4052 G N -0.062 108.724 108.800 -0.024 0.000 2.779 4052 G HA2 -0.458 3.493 3.960 -0.014 0.000 0.230 4052 G HA3 -0.458 3.493 3.960 -0.014 0.000 0.230 4052 G C 1.164 176.057 174.900 -0.012 0.000 1.243 4052 G CA 0.624 45.715 45.100 -0.016 0.000 0.769 4052 G HN 0.453 nan 8.290 nan 0.000 0.516 4053 A N 0.234 123.042 122.820 -0.020 0.000 2.167 4053 A HA 0.516 4.828 4.320 -0.014 0.000 0.214 4053 A C 2.752 180.331 177.584 -0.008 0.000 1.151 4053 A CA 2.177 54.206 52.037 -0.013 0.000 0.735 4053 A CB -0.543 18.445 19.000 -0.020 0.000 0.802 4053 A HN 2.670 nan 8.150 nan 0.000 0.467 4054 G N -3.218 105.576 108.800 -0.010 0.000 2.176 4054 G HA2 0.302 4.253 3.960 -0.014 0.000 0.232 4054 G HA3 0.302 4.253 3.960 -0.014 0.000 0.232 4054 G C 0.842 175.736 174.900 -0.010 0.000 0.986 4054 G CA 0.323 45.419 45.100 -0.007 0.000 0.643 4054 G HN 2.108 nan 8.290 nan 0.000 0.522 4055 G N -1.405 107.386 108.800 -0.013 0.000 2.317 4055 G HA2 0.534 4.485 3.960 -0.014 0.000 0.293 4055 G HA3 0.534 4.485 3.960 -0.014 0.000 0.293 4055 G C -0.869 174.021 174.900 -0.016 0.000 1.287 4055 G CA -0.498 44.593 45.100 -0.015 0.000 0.850 4055 G HN 0.844 nan 8.290 nan 0.000 0.515 4056 L N 1.992 123.206 121.223 -0.013 0.000 2.371 4056 L HA 0.409 4.741 4.340 -0.014 0.000 0.272 4056 L C -1.751 175.115 176.870 -0.007 0.000 1.124 4056 L CA -1.635 53.199 54.840 -0.011 0.000 0.816 4056 L CB 1.428 43.483 42.059 -0.007 0.000 1.129 4056 L HN 0.300 nan 8.230 nan 0.000 0.448 4057 P HA 0.133 nan 4.420 nan 0.000 0.282 4057 P C -0.714 176.591 177.300 0.008 0.000 1.262 4057 P CA -0.470 62.631 63.100 0.001 0.000 0.773 4057 P CB 0.930 32.631 31.700 0.001 0.000 0.879 4058 M N 2.115 121.720 119.600 0.008 0.000 2.238 4058 M HA 0.195 4.667 4.480 -0.014 0.000 0.347 4058 M C 1.588 177.900 176.300 0.020 0.000 1.173 4058 M CA 0.873 56.179 55.300 0.010 0.000 1.147 4058 M CB -0.584 32.021 32.600 0.007 0.000 1.547 4058 M HN 0.831 nan 8.290 nan 0.000 0.455 4059 G N 2.574 111.386 108.800 0.020 0.000 2.153 4059 G HA2 -0.211 3.740 3.960 -0.014 0.000 0.252 4059 G HA3 -0.211 3.740 3.960 -0.014 0.000 0.252 4059 G C 0.226 175.155 174.900 0.048 0.000 0.994 4059 G CA 0.035 45.153 45.100 0.031 0.000 0.698 4059 G HN 0.561 nan 8.290 nan 0.000 0.521 4060 R N -1.005 119.522 120.500 0.046 0.000 2.939 4060 R HA 0.777 5.109 4.340 -0.014 0.000 0.254 4060 R C 0.055 176.401 176.300 0.077 0.000 1.123 4060 R CA -1.099 55.041 56.100 0.068 0.000 1.020 4060 R CB 0.844 31.177 30.300 0.056 0.000 1.206 4060 R HN 0.195 nan 8.270 nan 0.000 0.491 4061 I N 0.808 121.447 120.570 0.115 0.000 2.412 4061 I HA 0.364 4.526 4.170 -0.014 0.000 0.296 4061 I C -0.414 175.787 176.117 0.140 0.000 0.987 4061 I CA -0.845 60.550 61.300 0.158 0.000 1.180 4061 I CB 1.926 40.065 38.000 0.233 0.000 1.340 4061 I HN -0.015 nan 8.210 nan 0.000 0.455 4062 V N 5.313 125.315 119.914 0.146 0.000 2.656 4062 V HA 0.398 4.510 4.120 -0.014 0.000 0.307 4062 V C -0.473 175.726 176.094 0.177 0.000 1.051 4062 V CA -0.688 61.682 62.300 0.117 0.000 0.893 4062 V CB 2.037 33.895 31.823 0.058 0.000 0.999 4062 V HN 0.734 nan 8.190 nan 0.000 0.426 4063 E N 3.777 124.069 120.200 0.153 0.000 2.187 4063 E HA 0.667 5.008 4.350 -0.014 0.000 0.268 4063 E C -1.579 175.104 176.600 0.138 0.000 0.896 4063 E CA -0.620 55.892 56.400 0.187 0.000 0.766 4063 E CB 1.709 31.522 29.700 0.189 0.000 1.142 4063 E HN 0.651 nan 8.360 nan 0.000 0.408 4064 I N 5.420 126.070 120.570 0.134 0.000 2.406 4064 I HA 0.346 4.508 4.170 -0.014 0.000 0.290 4064 I C -0.911 175.282 176.117 0.127 0.000 0.999 4064 I CA -0.983 60.352 61.300 0.058 0.000 1.124 4064 I CB 0.857 38.880 38.000 0.039 0.000 1.289 4064 I HN 0.512 nan 8.210 nan 0.000 0.441 4065 Y N 3.999 124.325 120.300 0.044 0.000 2.602 4065 Y HA 1.004 5.546 4.550 -0.014 0.000 0.342 4065 Y C -0.163 175.758 175.900 0.036 0.000 1.029 4065 Y CA -1.164 56.960 58.100 0.039 0.000 1.080 4065 Y CB 1.957 40.434 38.460 0.028 0.000 1.284 4065 Y HN 0.668 nan 8.280 nan 0.000 0.485 4066 G N 0.627 109.558 108.800 0.217 0.000 2.328 4066 G HA2 0.448 4.399 3.960 -0.014 0.000 0.295 4066 G HA3 0.448 4.399 3.960 -0.014 0.000 0.295 4066 G C -3.505 171.468 174.900 0.122 0.000 1.413 4066 G CA -1.361 43.814 45.100 0.125 0.000 0.817 4066 G HN 0.496 nan 8.290 nan 0.000 0.546 4067 P HA 0.248 nan 4.420 nan 0.000 0.272 4067 P C -0.193 177.142 177.300 0.059 0.000 1.248 4067 P CA -0.134 63.006 63.100 0.067 0.000 0.799 4067 P CB 0.263 31.993 31.700 0.049 0.000 0.997 4068 E N -0.819 119.409 120.200 0.047 0.000 2.383 4068 E HA 0.259 4.600 4.350 -0.014 0.000 0.264 4068 E C 0.075 176.698 176.600 0.038 0.000 1.050 4068 E CA -0.441 55.984 56.400 0.042 0.000 0.896 4068 E CB -0.414 29.305 29.700 0.031 0.000 0.982 4068 E HN 0.249 nan 8.360 nan 0.000 0.424 4069 S N 0.339 116.062 115.700 0.037 0.000 3.581 4069 S HA -0.223 4.238 4.470 -0.014 0.000 0.354 4069 S C 0.954 175.590 174.600 0.060 0.000 1.059 4069 S CA 0.914 59.136 58.200 0.037 0.000 1.060 4069 S CB -1.621 61.585 63.200 0.011 0.000 0.908 4069 S HN 0.731 nan 8.310 nan 0.000 0.475 4070 S N -0.505 115.233 115.700 0.063 0.000 2.470 4070 S HA 0.456 4.917 4.470 -0.014 0.000 0.222 4070 S C 1.555 176.201 174.600 0.077 0.000 1.024 4070 S CA 0.906 59.140 58.200 0.057 0.000 0.931 4070 S CB 0.669 63.893 63.200 0.039 0.000 0.791 4070 S HN 1.810 nan 8.310 nan 0.000 0.513 4071 G N 0.931 109.792 108.800 0.102 0.000 2.559 4071 G HA2 -0.115 3.836 3.960 -0.014 0.000 0.202 4071 G HA3 -0.115 3.836 3.960 -0.014 0.000 0.202 4071 G C 0.671 175.654 174.900 0.138 0.000 0.992 4071 G CA 0.079 45.264 45.100 0.141 0.000 0.764 4071 G HN 0.393 nan 8.290 nan 0.000 0.525 4072 K N 0.503 120.970 120.400 0.112 0.000 1.987 4072 K HA -0.117 4.194 4.320 -0.014 0.000 0.216 4072 K C 2.586 179.267 176.600 0.135 0.000 1.051 4072 K CA 2.259 58.611 56.287 0.109 0.000 0.942 4072 K CB -0.624 31.935 32.500 0.098 0.000 0.722 4072 K HN 0.311 nan 8.250 nan 0.000 0.444 4073 T N 0.964 115.611 114.554 0.156 0.000 2.607 4073 T HA -0.198 4.144 4.350 -0.014 0.000 0.267 4073 T C 2.109 176.929 174.700 0.200 0.000 1.049 4073 T CA 2.135 64.359 62.100 0.207 0.000 1.162 4073 T CB -0.851 68.141 68.868 0.207 0.000 0.863 4073 T HN 0.280 nan 8.240 nan 0.000 0.424 4074 T N 2.360 117.034 114.554 0.201 0.000 2.597 4074 T HA -0.111 4.230 4.350 -0.014 0.000 0.267 4074 T C 1.936 176.717 174.700 0.135 0.000 1.053 4074 T CA 1.485 63.709 62.100 0.207 0.000 1.165 4074 T CB -0.708 68.316 68.868 0.261 0.000 0.863 4074 T HN 0.247 nan 8.240 nan 0.000 0.427 4075 L N 0.322 121.626 121.223 0.136 0.000 2.012 4075 L HA -0.195 4.136 4.340 -0.014 0.000 0.210 4075 L C 2.674 179.587 176.870 0.072 0.000 1.073 4075 L CA 1.706 56.602 54.840 0.095 0.000 0.748 4075 L CB -0.797 41.335 42.059 0.122 0.000 0.891 4075 L HN 0.278 nan 8.230 nan 0.000 0.431 4076 T N 0.344 114.960 114.554 0.103 0.000 2.624 4076 T HA -0.262 4.080 4.350 -0.014 0.000 0.268 4076 T C 1.834 176.599 174.700 0.109 0.000 1.041 4076 T CA 2.069 64.237 62.100 0.112 0.000 1.159 4076 T CB -0.360 68.608 68.868 0.167 0.000 0.863 4076 T HN 0.308 nan 8.240 nan 0.000 0.434 4077 L N 0.862 122.152 121.223 0.112 0.000 2.083 4077 L HA -0.135 4.196 4.340 -0.014 0.000 0.209 4077 L C 2.990 179.856 176.870 -0.006 0.000 1.083 4077 L CA 1.086 55.952 54.840 0.043 0.000 0.752 4077 L CB -0.611 41.443 42.059 -0.009 0.000 0.899 4077 L HN 0.269 nan 8.230 nan 0.000 0.433 4078 Q N -0.250 119.544 119.800 -0.010 0.000 2.124 4078 Q HA -0.177 4.155 4.340 -0.014 0.000 0.202 4078 Q C 2.421 178.399 176.000 -0.037 0.000 0.977 4078 Q CA 1.956 57.733 55.803 -0.042 0.000 0.850 4078 Q CB -0.546 28.159 28.738 -0.056 0.000 0.901 4078 Q HN 0.618 nan 8.270 nan 0.000 0.429 4079 V N -1.659 118.247 119.914 -0.015 0.000 2.591 4079 V HA -0.131 3.980 4.120 -0.014 0.000 0.249 4079 V C 2.073 178.160 176.094 -0.011 0.000 1.053 4079 V CA 0.907 63.198 62.300 -0.015 0.000 1.068 4079 V CB -0.509 31.311 31.823 -0.005 0.000 0.689 4079 V HN 0.165 nan 8.190 nan 0.000 0.462 4080 I N 1.415 121.988 120.570 0.005 0.000 2.179 4080 I HA -0.160 4.001 4.170 -0.014 0.000 0.242 4080 I C 3.036 179.140 176.117 -0.021 0.000 1.088 4080 I CA 1.810 63.113 61.300 0.006 0.000 1.357 4080 I CB -0.818 37.201 38.000 0.033 0.000 1.051 4080 I HN 0.406 nan 8.210 nan 0.000 0.409 4081 A N 0.895 123.692 122.820 -0.038 0.000 1.873 4081 A HA -0.275 4.037 4.320 -0.014 0.000 0.218 4081 A C 2.562 180.112 177.584 -0.057 0.000 1.193 4081 A CA 2.351 54.353 52.037 -0.058 0.000 0.629 4081 A CB -1.114 17.840 19.000 -0.077 0.000 0.826 4081 A HN 0.457 nan 8.150 nan 0.000 0.447 4082 A N -0.308 122.479 122.820 -0.055 0.000 1.892 4082 A HA 0.070 4.381 4.320 -0.014 0.000 0.218 4082 A C 2.539 180.097 177.584 -0.043 0.000 1.188 4082 A CA 2.585 54.589 52.037 -0.055 0.000 0.631 4082 A CB -1.146 17.826 19.000 -0.048 0.000 0.822 4082 A HN 1.229 nan 8.150 nan 0.000 0.447 4083 A N -1.194 121.606 122.820 -0.032 0.000 1.969 4083 A HA -0.177 4.135 4.320 -0.014 0.000 0.218 4083 A C 2.105 179.672 177.584 -0.027 0.000 1.169 4083 A CA 1.589 53.611 52.037 -0.026 0.000 0.635 4083 A CB -0.478 18.512 19.000 -0.018 0.000 0.810 4083 A HN 0.672 nan 8.150 nan 0.000 0.445 4084 Q N -1.329 118.453 119.800 -0.031 0.000 2.172 4084 Q HA -0.097 4.235 4.340 -0.014 0.000 0.200 4084 Q C 2.251 178.228 176.000 -0.037 0.000 0.964 4084 Q CA 1.111 56.895 55.803 -0.032 0.000 0.855 4084 Q CB -0.061 28.656 28.738 -0.035 0.000 0.918 4084 Q HN 0.544 nan 8.270 nan 0.000 0.444 4085 R N 1.105 121.577 120.500 -0.046 0.000 2.152 4085 R HA -0.120 4.211 4.340 -0.014 0.000 0.232 4085 R C 0.975 177.249 176.300 -0.043 0.000 1.117 4085 R CA 1.217 57.286 56.100 -0.051 0.000 0.981 4085 R CB 0.211 30.471 30.300 -0.066 0.000 0.870 4085 R HN 0.275 nan 8.270 nan 0.000 0.451 4086 E N -1.604 118.574 120.200 -0.037 0.000 2.479 4086 E HA 0.193 4.534 4.350 -0.014 0.000 0.193 4086 E C 0.425 177.011 176.600 -0.024 0.000 1.049 4086 E CA 0.390 56.772 56.400 -0.029 0.000 0.870 4086 E CB 0.806 30.491 29.700 -0.026 0.000 0.944 4086 E HN 0.408 nan 8.360 nan 0.000 0.492 4087 G N 2.127 110.912 108.800 -0.025 0.000 2.149 4087 G HA2 -0.289 3.662 3.960 -0.014 0.000 0.235 4087 G HA3 -0.289 3.662 3.960 -0.014 0.000 0.235 4087 G C -0.102 174.787 174.900 -0.018 0.000 1.018 4087 G CA -0.097 44.991 45.100 -0.021 0.000 0.728 4087 G HN 0.126 nan 8.290 nan 0.000 0.508 4088 K N 0.333 120.722 120.400 -0.018 0.000 2.098 4088 K HA 0.538 4.849 4.320 -0.014 0.000 0.261 4088 K C 0.280 176.872 176.600 -0.013 0.000 0.987 4088 K CA -0.297 55.982 56.287 -0.014 0.000 0.916 4088 K CB 0.902 33.394 32.500 -0.014 0.000 1.039 4088 K HN 0.111 nan 8.250 nan 0.000 0.455 4089 T N 1.700 116.247 114.554 -0.011 0.000 2.780 4089 T HA 0.244 4.586 4.350 -0.014 0.000 0.294 4089 T C -0.194 174.502 174.700 -0.007 0.000 0.949 4089 T CA -0.533 61.561 62.100 -0.009 0.000 1.074 4089 T CB 0.121 68.984 68.868 -0.009 0.000 0.910 4089 T HN 0.515 nan 8.240 nan 0.000 0.501 4090 C N 2.392 121.691 119.300 -0.001 0.000 2.562 4090 C HA 0.982 5.433 4.460 -0.014 0.000 0.332 4090 C C 0.442 175.444 174.990 0.021 0.000 1.201 4090 C CA -0.920 58.104 59.018 0.009 0.000 1.803 4090 C CB 0.892 28.645 27.740 0.020 0.000 2.328 4090 C HN 1.046 nan 8.230 nan 0.000 0.500 4091 A N 1.006 123.842 122.820 0.027 0.000 2.475 4091 A HA 0.871 5.183 4.320 -0.014 0.000 0.301 4091 A C -1.509 176.127 177.584 0.088 0.000 1.059 4091 A CA -0.256 51.807 52.037 0.042 0.000 0.710 4091 A CB 1.121 20.119 19.000 -0.003 0.000 1.288 4091 A HN 0.816 nan 8.150 nan 0.000 0.408 4092 F N 2.625 122.540 119.950 -0.058 0.000 2.529 4092 F HA 0.638 5.157 4.527 -0.014 0.000 0.320 4092 F C -0.857 174.902 175.800 -0.068 0.000 1.118 4092 F CA -0.871 57.092 58.000 -0.062 0.000 0.915 4092 F CB 1.593 40.564 39.000 -0.047 0.000 1.161 4092 F HN 0.372 nan 8.300 nan 0.000 0.445 4093 I N 4.684 125.024 120.570 -0.383 0.000 2.412 4093 I HA 0.138 4.300 4.170 -0.014 0.000 0.279 4093 I C -0.286 175.683 176.117 -0.248 0.000 1.063 4093 I CA -0.419 60.746 61.300 -0.225 0.000 1.193 4093 I CB 0.538 38.408 38.000 -0.217 0.000 1.370 4093 I HN 0.520 nan 8.210 nan 0.000 0.479 4094 D N 4.910 125.310 120.400 0.000 0.000 2.801 4094 D HA 0.317 4.949 4.640 -0.014 0.000 0.232 4094 D C 1.407 177.640 176.300 -0.112 0.000 1.128 4094 D CA 0.034 54.081 54.000 0.079 0.000 1.003 4094 D CB 0.712 41.643 40.800 0.218 0.000 1.110 4094 D HN 0.590 nan 8.370 nan 0.000 0.477 4095 A N 1.665 124.446 122.820 -0.065 0.000 2.019 4095 A HA -0.154 4.157 4.320 -0.014 0.000 0.219 4095 A C 1.959 179.650 177.584 0.178 0.000 1.164 4095 A CA 0.895 52.946 52.037 0.023 0.000 0.644 4095 A CB -0.278 18.748 19.000 0.044 0.000 0.805 4095 A HN 0.503 nan 8.150 nan 0.000 0.449 4096 E N -1.027 119.247 120.200 0.123 0.000 2.418 4096 E HA -0.120 4.221 4.350 -0.014 0.000 0.197 4096 E C -0.498 176.246 176.600 0.239 0.000 1.026 4096 E CA 0.102 56.599 56.400 0.162 0.000 0.862 4096 E CB -0.203 29.569 29.700 0.121 0.000 0.799 4096 E HN 0.690 nan 8.360 nan 0.000 0.518 4097 H N -2.060 117.055 119.070 0.075 0.000 2.677 4097 H HA -0.220 4.328 4.556 -0.014 0.000 0.321 4097 H C 0.146 175.508 175.328 0.057 0.000 1.171 4097 H CA 0.513 56.600 56.048 0.064 0.000 1.139 4097 H CB -1.198 28.589 29.762 0.042 0.000 1.515 4097 H HN 0.293 nan 8.280 nan 0.000 0.423 4098 A N 0.472 123.372 122.820 0.134 0.000 2.664 4098 A HA 0.167 4.479 4.320 -0.014 0.000 0.222 4098 A C 0.596 178.216 177.584 0.060 0.000 1.320 4098 A CA -0.236 51.856 52.037 0.092 0.000 1.029 4098 A CB 0.677 19.729 19.000 0.086 0.000 1.318 4098 A HN 0.176 nan 8.150 nan 0.000 0.589 4099 L N 1.637 122.896 121.223 0.061 0.000 2.513 4099 L HA 0.383 4.714 4.340 -0.014 0.000 0.272 4099 L C -0.512 176.339 176.870 -0.032 0.000 1.187 4099 L CA 0.266 55.097 54.840 -0.014 0.000 0.895 4099 L CB 0.306 42.284 42.059 -0.135 0.000 1.147 4099 L HN 0.209 nan 8.230 nan 0.000 0.483 4100 D N 7.443 127.835 120.400 -0.013 0.000 2.359 4100 D HA 0.303 4.934 4.640 -0.014 0.000 0.230 4100 D C -1.715 174.589 176.300 0.007 0.000 1.118 4100 D CA -2.262 51.743 54.000 0.008 0.000 0.844 4100 D CB 1.456 42.273 40.800 0.028 0.000 1.059 4100 D HN 0.395 nan 8.370 nan 0.000 0.493 4101 P HA -0.178 nan 4.420 nan 0.000 0.216 4101 P C 1.592 178.880 177.300 -0.020 0.000 1.153 4101 P CA 0.875 63.948 63.100 -0.046 0.000 0.858 4101 P CB 0.434 32.109 31.700 -0.040 0.000 0.789 4102 I N -1.554 119.024 120.570 0.013 0.000 2.179 4102 I HA -0.248 3.914 4.170 -0.014 0.000 0.242 4102 I C 2.772 178.918 176.117 0.048 0.000 1.088 4102 I CA 1.457 62.771 61.300 0.023 0.000 1.357 4102 I CB -1.354 36.666 38.000 0.034 0.000 1.051 4102 I HN -0.143 nan 8.210 nan 0.000 0.409 4103 Y N 1.385 121.661 120.300 -0.040 0.000 2.242 4103 Y HA -0.215 4.327 4.550 -0.014 0.000 0.291 4103 Y C 2.480 178.353 175.900 -0.044 0.000 1.137 4103 Y CA 1.176 59.257 58.100 -0.031 0.000 1.181 4103 Y CB -0.451 37.995 38.460 -0.024 0.000 0.989 4103 Y HN 0.122 nan 8.280 nan 0.000 0.527 4104 A N 0.640 123.432 122.820 -0.046 0.000 1.908 4104 A HA -0.227 4.085 4.320 -0.014 0.000 0.218 4104 A C 2.431 179.912 177.584 -0.171 0.000 1.181 4104 A CA 1.852 53.800 52.037 -0.147 0.000 0.627 4104 A CB -0.780 18.131 19.000 -0.147 0.000 0.818 4104 A HN 0.493 nan 8.150 nan 0.000 0.445 4105 R N -0.033 120.393 120.500 -0.123 0.000 2.092 4105 R HA -0.100 4.232 4.340 -0.014 0.000 0.231 4105 R C 1.950 178.172 176.300 -0.130 0.000 1.119 4105 R CA 1.621 57.656 56.100 -0.108 0.000 0.970 4105 R CB -0.265 29.993 30.300 -0.070 0.000 0.864 4105 R HN 0.534 nan 8.270 nan 0.000 0.440 4106 K N 0.345 120.650 120.400 -0.158 0.000 2.211 4106 K HA -0.104 4.207 4.320 -0.014 0.000 0.204 4106 K C 1.944 178.402 176.600 -0.237 0.000 1.047 4106 K CA 1.056 57.237 56.287 -0.175 0.000 0.935 4106 K CB -0.048 32.347 32.500 -0.174 0.000 0.728 4106 K HN 0.262 nan 8.250 nan 0.000 0.452 4107 L N -0.480 120.548 121.223 -0.325 0.000 2.478 4107 L HA 0.032 4.364 4.340 -0.014 0.000 0.223 4107 L C 1.022 177.785 176.870 -0.178 0.000 1.140 4107 L CA 0.533 55.202 54.840 -0.285 0.000 0.842 4107 L CB -0.073 41.785 42.059 -0.335 0.000 0.953 4107 L HN 0.449 nan 8.230 nan 0.000 0.452 4108 G N 0.249 108.957 108.800 -0.153 0.000 2.141 4108 G HA2 -0.196 3.755 3.960 -0.014 0.000 0.195 4108 G HA3 -0.196 3.755 3.960 -0.014 0.000 0.195 4108 G C -0.048 174.791 174.900 -0.102 0.000 1.012 4108 G CA -0.207 44.823 45.100 -0.117 0.000 0.696 4108 G HN 0.049 nan 8.290 nan 0.000 0.508 4109 V N 0.603 120.453 119.914 -0.107 0.000 2.607 4109 V HA 0.458 4.569 4.120 -0.014 0.000 0.289 4109 V C 0.563 176.611 176.094 -0.077 0.000 1.053 4109 V CA -0.416 61.830 62.300 -0.090 0.000 0.996 4109 V CB 1.810 33.572 31.823 -0.103 0.000 0.995 4109 V HN 0.341 nan 8.190 nan 0.000 0.476 4110 D N 3.631 123.994 120.400 -0.063 0.000 2.402 4110 D HA 0.135 4.767 4.640 -0.014 0.000 0.235 4110 D C 1.058 177.327 176.300 -0.052 0.000 1.226 4110 D CA -0.263 53.706 54.000 -0.053 0.000 0.918 4110 D CB 0.510 41.285 40.800 -0.043 0.000 1.043 4110 D HN 0.289 nan 8.370 nan 0.000 0.506 4111 I N 2.569 123.106 120.570 -0.056 0.000 2.226 4111 I HA -0.216 3.946 4.170 -0.014 0.000 0.245 4111 I C 1.377 177.469 176.117 -0.042 0.000 1.100 4111 I CA 0.929 62.195 61.300 -0.057 0.000 1.374 4111 I CB -0.715 37.251 38.000 -0.056 0.000 1.057 4111 I HN 0.339 nan 8.210 nan 0.000 0.413 4112 D N 0.589 120.968 120.400 -0.035 0.000 2.263 4112 D HA -0.130 4.502 4.640 -0.014 0.000 0.208 4112 D C 1.712 177.998 176.300 -0.023 0.000 0.971 4112 D CA 0.914 54.898 54.000 -0.027 0.000 0.867 4112 D CB -0.255 40.531 40.800 -0.024 0.000 0.929 4112 D HN 0.443 nan 8.370 nan 0.000 0.492 4113 N N -0.221 118.464 118.700 -0.025 0.000 2.197 4113 N HA 0.029 4.760 4.740 -0.014 0.000 0.201 4113 N C 0.038 175.538 175.510 -0.016 0.000 1.148 4113 N CA -0.182 52.856 53.050 -0.019 0.000 0.883 4113 N CB 1.394 39.869 38.487 -0.020 0.000 1.012 4113 N HN 0.133 nan 8.380 nan 0.000 0.507 4114 L N 3.233 124.444 121.223 -0.020 0.000 2.385 4114 L HA 0.267 4.599 4.340 -0.014 0.000 0.281 4114 L C -0.138 176.732 176.870 0.001 0.000 1.106 4114 L CA 0.061 54.894 54.840 -0.010 0.000 0.856 4114 L CB 0.112 42.153 42.059 -0.030 0.000 1.186 4114 L HN 0.012 nan 8.230 nan 0.000 0.453 4115 L N 5.376 126.607 121.223 0.015 0.000 2.456 4115 L HA 0.125 4.456 4.340 -0.014 0.000 0.272 4115 L C 0.113 177.012 176.870 0.049 0.000 1.189 4115 L CA 0.153 55.005 54.840 0.021 0.000 0.846 4115 L CB 1.011 43.078 42.059 0.014 0.000 1.111 4115 L HN 0.740 nan 8.230 nan 0.000 0.475 4116 C N 2.817 122.142 119.300 0.042 0.000 2.891 4116 C HA 0.671 5.123 4.460 -0.014 0.000 0.342 4116 C C -0.481 174.535 174.990 0.043 0.000 1.126 4116 C CA -0.424 58.638 59.018 0.073 0.000 1.322 4116 C CB 1.590 29.358 27.740 0.047 0.000 1.763 4116 C HN 0.821 nan 8.230 nan 0.000 0.491 4117 S N 3.691 119.419 115.700 0.047 0.000 2.575 4117 S HA 0.568 5.029 4.470 -0.014 0.000 0.278 4117 S C -1.364 173.217 174.600 -0.031 0.000 1.139 4117 S CA -0.291 57.912 58.200 0.005 0.000 0.954 4117 S CB 1.490 64.687 63.200 -0.004 0.000 1.054 4117 S HN 0.861 nan 8.310 nan 0.000 0.483 4118 Q N 4.653 124.409 119.800 -0.073 0.000 2.466 4118 Q HA 0.364 4.695 4.340 -0.014 0.000 0.242 4118 Q C -2.253 173.704 176.000 -0.071 0.000 1.046 4118 Q CA -1.850 53.823 55.803 -0.216 0.000 0.841 4118 Q CB 1.261 29.785 28.738 -0.355 0.000 1.193 4118 Q HN 0.510 nan 8.270 nan 0.000 0.508 4119 P HA 0.128 nan 4.420 nan 0.000 0.276 4119 P C -0.383 176.997 177.300 0.133 0.000 1.252 4119 P CA -0.275 62.853 63.100 0.047 0.000 0.802 4119 P CB 1.443 33.158 31.700 0.027 0.000 1.035 4120 D N -0.929 119.529 120.400 0.097 0.000 2.269 4120 D HA -0.005 4.627 4.640 -0.014 0.000 0.220 4120 D C 1.004 177.345 176.300 0.069 0.000 0.962 4120 D CA 1.407 55.463 54.000 0.093 0.000 0.884 4120 D CB -0.278 40.556 40.800 0.058 0.000 1.023 4120 D HN 0.518 nan 8.370 nan 0.000 0.484 4121 T N -2.716 111.867 114.554 0.049 0.000 2.948 4121 T HA 0.533 4.874 4.350 -0.014 0.000 0.285 4121 T C 1.392 176.116 174.700 0.039 0.000 1.019 4121 T CA -0.290 61.832 62.100 0.036 0.000 1.013 4121 T CB 1.912 70.792 68.868 0.021 0.000 1.117 4121 T HN -0.029 nan 8.240 nan 0.000 0.533 4122 G N 0.132 108.951 108.800 0.033 0.000 2.402 4122 G HA2 -0.075 3.876 3.960 -0.014 0.000 0.216 4122 G HA3 -0.075 3.876 3.960 -0.014 0.000 0.216 4122 G C 1.162 176.078 174.900 0.028 0.000 1.162 4122 G CA 0.551 45.671 45.100 0.034 0.000 0.777 4122 G HN 0.797 nan 8.290 nan 0.000 0.539 4123 E N 0.074 120.285 120.200 0.018 0.000 2.085 4123 E HA -0.146 4.195 4.350 -0.014 0.000 0.194 4123 E C 2.394 179.003 176.600 0.016 0.000 0.994 4123 E CA 1.293 57.700 56.400 0.013 0.000 0.801 4123 E CB -0.231 29.472 29.700 0.005 0.000 0.743 4123 E HN 0.640 nan 8.360 nan 0.000 0.453 4124 Q N 0.337 120.148 119.800 0.017 0.000 2.030 4124 Q HA -0.248 4.083 4.340 -0.014 0.000 0.204 4124 Q C 2.170 178.178 176.000 0.014 0.000 0.986 4124 Q CA 1.834 57.647 55.803 0.016 0.000 0.843 4124 Q CB -0.257 28.493 28.738 0.021 0.000 0.904 4124 Q HN 0.303 nan 8.270 nan 0.000 0.420 4125 A N 0.716 123.547 122.820 0.019 0.000 1.892 4125 A HA -0.213 4.098 4.320 -0.014 0.000 0.218 4125 A C 2.075 179.665 177.584 0.010 0.000 1.188 4125 A CA 1.798 53.841 52.037 0.010 0.000 0.631 4125 A CB -0.853 18.159 19.000 0.020 0.000 0.822 4125 A HN 0.474 nan 8.150 nan 0.000 0.447 4126 L N -1.169 120.071 121.223 0.030 0.000 2.072 4126 L HA -0.106 4.225 4.340 -0.014 0.000 0.205 4126 L C 2.640 179.521 176.870 0.018 0.000 1.079 4126 L CA 1.072 55.936 54.840 0.040 0.000 0.752 4126 L CB -0.537 41.553 42.059 0.052 0.000 0.906 4126 L HN 0.278 nan 8.230 nan 0.000 0.436 4127 E N 0.533 120.740 120.200 0.013 0.000 2.085 4127 E HA -0.219 4.122 4.350 -0.014 0.000 0.194 4127 E C 2.282 178.883 176.600 0.001 0.000 0.994 4127 E CA 1.372 57.777 56.400 0.008 0.000 0.801 4127 E CB -0.203 29.502 29.700 0.008 0.000 0.743 4127 E HN 0.491 nan 8.360 nan 0.000 0.453 4128 I N 0.240 120.808 120.570 -0.003 0.000 2.163 4128 I HA -0.366 3.795 4.170 -0.014 0.000 0.243 4128 I C 2.618 178.723 176.117 -0.020 0.000 1.085 4128 I CA 0.938 62.231 61.300 -0.011 0.000 1.347 4128 I CB -0.305 37.687 38.000 -0.014 0.000 1.044 4128 I HN 0.150 nan 8.210 nan 0.000 0.408 4129 C N 0.360 119.644 119.300 -0.027 0.000 2.393 4129 C HA -0.245 4.206 4.460 -0.014 0.000 0.276 4129 C C 2.604 177.579 174.990 -0.026 0.000 1.215 4129 C CA 1.391 60.384 59.018 -0.041 0.000 1.743 4129 C CB -1.043 26.669 27.740 -0.045 0.000 2.044 4129 C HN 0.545 nan 8.230 nan 0.000 0.464 4130 D N 0.293 120.686 120.400 -0.012 0.000 2.158 4130 D HA -0.109 4.522 4.640 -0.014 0.000 0.197 4130 D C 2.136 178.430 176.300 -0.010 0.000 0.995 4130 D CA 1.640 55.634 54.000 -0.010 0.000 0.846 4130 D CB -0.185 40.613 40.800 -0.003 0.000 0.941 4130 D HN 0.463 nan 8.370 nan 0.000 0.456 4131 A N -0.113 122.702 122.820 -0.009 0.000 1.873 4131 A HA -0.075 4.237 4.320 -0.014 0.000 0.215 4131 A C 2.405 179.983 177.584 -0.011 0.000 1.186 4131 A CA 0.971 53.004 52.037 -0.007 0.000 0.616 4131 A CB -0.758 18.239 19.000 -0.005 0.000 0.823 4131 A HN 0.326 nan 8.150 nan 0.000 0.442 4132 L N -0.821 120.392 121.223 -0.016 0.000 2.141 4132 L HA -0.145 4.186 4.340 -0.014 0.000 0.209 4132 L C 3.031 179.889 176.870 -0.020 0.000 1.094 4132 L CA 0.787 55.616 54.840 -0.019 0.000 0.763 4132 L CB -0.578 41.464 42.059 -0.027 0.000 0.908 4132 L HN 0.460 nan 8.230 nan 0.000 0.437 4133 A N 0.290 123.097 122.820 -0.023 0.000 1.832 4133 A HA -0.197 4.115 4.320 -0.014 0.000 0.214 4133 A C 2.392 179.967 177.584 -0.015 0.000 1.200 4133 A CA 1.350 53.374 52.037 -0.022 0.000 0.610 4133 A CB -0.555 18.430 19.000 -0.025 0.000 0.842 4133 A HN 0.238 nan 8.150 nan 0.000 0.444 4134 R N 0.196 120.689 120.500 -0.012 0.000 2.139 4134 R HA -0.157 4.174 4.340 -0.014 0.000 0.243 4134 R C 2.589 178.887 176.300 -0.003 0.000 1.145 4134 R CA 1.681 57.777 56.100 -0.006 0.000 0.976 4134 R CB -0.397 29.900 30.300 -0.004 0.000 0.866 4134 R HN 0.767 nan 8.270 nan 0.000 0.449 4135 S N -0.821 114.876 115.700 -0.005 0.000 2.399 4135 S HA -0.090 4.371 4.470 -0.014 0.000 0.231 4135 S C 1.652 176.251 174.600 -0.002 0.000 1.022 4135 S CA 1.146 59.344 58.200 -0.003 0.000 0.983 4135 S CB -0.298 62.899 63.200 -0.005 0.000 0.803 4135 S HN 0.535 nan 8.310 nan 0.000 0.480 4136 G N 0.609 109.407 108.800 -0.004 0.000 2.166 4136 G HA2 -0.203 3.748 3.960 -0.014 0.000 0.260 4136 G HA3 -0.203 3.748 3.960 -0.014 0.000 0.260 4136 G C 0.798 175.696 174.900 -0.003 0.000 0.986 4136 G CA 0.496 45.594 45.100 -0.002 0.000 0.683 4136 G HN 1.315 nan 8.290 nan 0.000 0.527 4137 A N -1.138 121.679 122.820 -0.005 0.000 1.956 4137 A HA 0.640 4.951 4.320 -0.014 0.000 0.212 4137 A C 1.257 178.837 177.584 -0.008 0.000 1.188 4137 A CA 1.401 53.435 52.037 -0.006 0.000 0.675 4137 A CB 0.366 19.363 19.000 -0.005 0.000 0.845 4137 A HN 1.000 nan 8.150 nan 0.000 0.455 4138 V N 1.376 121.284 119.914 -0.011 0.000 2.567 4138 V HA 0.171 4.282 4.120 -0.014 0.000 0.289 4138 V C 0.288 176.374 176.094 -0.015 0.000 1.049 4138 V CA -0.275 62.017 62.300 -0.014 0.000 0.969 4138 V CB 1.432 33.244 31.823 -0.019 0.000 0.995 4138 V HN 0.441 nan 8.190 nan 0.000 0.471 4139 D N 1.714 122.106 120.400 -0.014 0.000 2.323 4139 D HA 0.106 4.737 4.640 -0.014 0.000 0.218 4139 D C 0.203 176.492 176.300 -0.019 0.000 0.973 4139 D CA 1.024 55.015 54.000 -0.014 0.000 0.890 4139 D CB 1.580 42.373 40.800 -0.011 0.000 1.011 4139 D HN 0.366 nan 8.370 nan 0.000 0.499 4140 V N 1.397 121.298 119.914 -0.022 0.000 2.623 4140 V HA 0.441 4.553 4.120 -0.014 0.000 0.304 4140 V C -1.635 174.433 176.094 -0.044 0.000 1.054 4140 V CA -0.659 61.621 62.300 -0.032 0.000 0.882 4140 V CB 1.847 33.657 31.823 -0.021 0.000 1.002 4140 V HN -0.108 nan 8.190 nan 0.000 0.424 4141 I N 6.845 127.365 120.570 -0.084 0.000 2.465 4141 I HA 0.662 4.823 4.170 -0.014 0.000 0.291 4141 I C -0.550 175.441 176.117 -0.210 0.000 1.014 4141 I CA -1.022 60.200 61.300 -0.130 0.000 1.093 4141 I CB 2.024 39.932 38.000 -0.153 0.000 1.267 4141 I HN 0.561 nan 8.210 nan 0.000 0.431 4142 V N 7.119 126.881 119.914 -0.254 0.000 2.604 4142 V HA 0.600 4.712 4.120 -0.014 0.000 0.305 4142 V C -0.948 174.797 176.094 -0.582 0.000 1.043 4142 V CA -0.381 61.688 62.300 -0.384 0.000 0.888 4142 V CB 2.122 33.783 31.823 -0.270 0.000 0.995 4142 V HN 0.436 nan 8.190 nan 0.000 0.429 4143 V N 5.528 125.108 119.914 -0.557 0.000 2.347 4143 V HA 0.416 4.527 4.120 -0.014 0.000 0.280 4143 V C -0.244 175.652 176.094 -0.330 0.000 1.021 4143 V CA -0.390 61.637 62.300 -0.456 0.000 0.847 4143 V CB 1.329 32.914 31.823 -0.397 0.000 0.990 4143 V HN 0.968 nan 8.190 nan 0.000 0.444 4144 D N 3.551 123.721 120.400 -0.383 0.000 2.365 4144 D HA 0.332 4.964 4.640 -0.014 0.000 0.237 4144 D C 0.046 176.335 176.300 -0.019 0.000 1.190 4144 D CA 0.692 54.588 54.000 -0.173 0.000 0.867 4144 D CB 0.574 41.320 40.800 -0.089 0.000 1.050 4144 D HN 0.649 nan 8.370 nan 0.000 0.491 4145 S N 1.209 116.932 115.700 0.037 0.000 3.392 4145 S HA -0.147 4.314 4.470 -0.014 0.000 0.693 4145 S C 1.199 175.854 174.600 0.090 0.000 0.620 4145 S CA 0.345 58.590 58.200 0.074 0.000 1.452 4145 S CB -1.019 62.224 63.200 0.072 0.000 0.988 4145 S HN 0.537 nan 8.310 nan 0.000 0.932 4146 V N 2.250 122.235 119.914 0.119 0.000 2.626 4146 V HA -0.028 4.083 4.120 -0.014 0.000 0.252 4146 V C 2.337 178.460 176.094 0.048 0.000 1.067 4146 V CA 2.323 64.680 62.300 0.095 0.000 1.081 4146 V CB -1.124 30.716 31.823 0.029 0.000 0.686 4146 V HN 1.440 nan 8.190 nan 0.000 0.468 4147 A N 0.889 123.737 122.820 0.046 0.000 1.958 4147 A HA -0.086 4.225 4.320 -0.014 0.000 0.221 4147 A C 2.354 179.961 177.584 0.038 0.000 1.178 4147 A CA 2.567 54.624 52.037 0.034 0.000 0.642 4147 A CB -1.048 17.976 19.000 0.040 0.000 0.816 4147 A HN 1.274 nan 8.150 nan 0.000 0.453 4148 A N -1.633 121.220 122.820 0.055 0.000 2.251 4148 A HA 0.448 4.760 4.320 -0.014 0.000 0.209 4148 A C 0.542 178.164 177.584 0.063 0.000 1.187 4148 A CA -0.074 52.001 52.037 0.064 0.000 0.823 4148 A CB -0.191 18.862 19.000 0.089 0.000 0.846 4148 A HN 0.281 nan 8.150 nan 0.000 0.486 4149 L N 2.347 123.602 121.223 0.053 0.000 2.376 4149 L HA 0.142 4.474 4.340 -0.014 0.000 0.250 4149 L C 0.179 177.067 176.870 0.031 0.000 1.335 4149 L CA 0.548 55.417 54.840 0.048 0.000 1.214 4149 L CB -1.046 41.043 42.059 0.051 0.000 1.395 4149 L HN 0.096 nan 8.230 nan 0.000 0.424 4150 T N 2.929 117.502 114.554 0.032 0.000 2.799 4150 T HA 0.199 4.541 4.350 -0.014 0.000 0.296 4150 T C -2.134 172.575 174.700 0.015 0.000 0.947 4150 T CA -0.990 61.121 62.100 0.019 0.000 1.141 4150 T CB 0.343 69.221 68.868 0.017 0.000 0.891 4150 T HN 0.173 nan 8.240 nan 0.000 0.533 4151 P HA 0.099 nan 4.420 nan 0.000 0.268 4151 P C 0.995 178.296 177.300 0.002 0.000 1.208 4151 P CA -0.446 62.655 63.100 0.002 0.000 0.777 4151 P CB 0.740 32.437 31.700 -0.005 0.000 0.875 4152 K N 2.318 122.718 120.400 0.000 0.000 2.020 4152 K HA -0.233 4.079 4.320 -0.014 0.000 0.212 4152 K C 1.811 178.409 176.600 -0.003 0.000 1.050 4152 K CA 1.997 58.284 56.287 0.000 0.000 0.929 4152 K CB -0.699 31.799 32.500 -0.002 0.000 0.714 4152 K HN 0.476 nan 8.250 nan 0.000 0.443 4153 A N 1.045 123.861 122.820 -0.006 0.000 2.019 4153 A HA -0.157 4.154 4.320 -0.014 0.000 0.219 4153 A C 1.193 178.773 177.584 -0.006 0.000 1.164 4153 A CA 1.025 53.058 52.037 -0.007 0.000 0.644 4153 A CB -0.382 18.613 19.000 -0.010 0.000 0.805 4153 A HN 0.589 nan 8.150 nan 0.000 0.449 4169 R N 0.118 120.602 120.500 -0.028 0.000 2.115 4169 R HA 0.016 4.347 4.340 -0.014 0.000 0.230 4169 R C 2.162 178.444 176.300 -0.030 0.000 1.111 4169 R CA 1.814 57.898 56.100 -0.026 0.000 0.976 4169 R CB -0.260 30.027 30.300 -0.021 0.000 0.870 4169 R HN 0.639 nan 8.270 nan 0.000 0.445 4170 M N -0.358 119.223 119.600 -0.032 0.000 2.099 4170 M HA -0.169 4.303 4.480 -0.014 0.000 0.262 4170 M C 1.733 178.002 176.300 -0.052 0.000 1.067 4170 M CA 1.459 56.739 55.300 -0.033 0.000 1.124 4170 M CB 0.050 32.635 32.600 -0.026 0.000 1.353 4170 M HN 0.209 nan 8.290 nan 0.000 0.410 4171 M N -0.423 119.135 119.600 -0.070 0.000 2.108 4171 M HA -0.195 4.277 4.480 -0.014 0.000 0.261 4171 M C 2.366 178.583 176.300 -0.138 0.000 1.066 4171 M CA 1.571 56.799 55.300 -0.119 0.000 1.107 4171 M CB -1.366 31.153 32.600 -0.135 0.000 1.356 4171 M HN 0.344 nan 8.290 nan 0.000 0.406 4172 S N -0.238 115.406 115.700 -0.092 0.000 2.399 4172 S HA -0.179 4.283 4.470 -0.014 0.000 0.231 4172 S C 1.851 176.391 174.600 -0.099 0.000 1.022 4172 S CA 1.258 59.409 58.200 -0.082 0.000 0.983 4172 S CB -0.122 63.060 63.200 -0.029 0.000 0.803 4172 S HN 0.512 nan 8.310 nan 0.000 0.480 4173 Q N 0.153 119.911 119.800 -0.070 0.000 2.083 4173 Q HA -0.010 4.321 4.340 -0.014 0.000 0.198 4173 Q C 2.203 178.155 176.000 -0.079 0.000 0.969 4173 Q CA 1.154 56.928 55.803 -0.048 0.000 0.838 4173 Q CB -0.320 28.413 28.738 -0.008 0.000 0.900 4173 Q HN 0.576 nan 8.270 nan 0.000 0.436 4174 A N 0.967 123.730 122.820 -0.094 0.000 1.883 4174 A HA -0.215 4.096 4.320 -0.014 0.000 0.217 4174 A C 2.046 179.529 177.584 -0.168 0.000 1.186 4174 A CA 1.623 53.606 52.037 -0.090 0.000 0.624 4174 A CB -0.528 18.435 19.000 -0.062 0.000 0.822 4174 A HN 0.389 nan 8.150 nan 0.000 0.444 4175 M N -0.400 119.005 119.600 -0.325 0.000 2.073 4175 M HA -0.188 4.283 4.480 -0.014 0.000 0.258 4175 M C 2.166 178.118 176.300 -0.579 0.000 1.070 4175 M CA 1.773 56.680 55.300 -0.654 0.000 1.103 4175 M CB -1.466 30.382 32.600 -1.254 0.000 1.321 4175 M HN 0.425 nan 8.290 nan 0.000 0.405 4176 R N 0.031 120.303 120.500 -0.380 0.000 2.113 4176 R HA -0.182 4.150 4.340 -0.014 0.000 0.244 4176 R C 2.288 178.558 176.300 -0.049 0.000 1.142 4176 R CA 1.643 57.691 56.100 -0.087 0.000 0.953 4176 R CB -0.357 29.934 30.300 -0.015 0.000 0.860 4176 R HN 0.457 nan 8.270 nan 0.000 0.438 4177 K N 0.301 120.659 120.400 -0.069 0.000 2.097 4177 K HA -0.064 4.248 4.320 -0.014 0.000 0.205 4177 K C 2.134 178.702 176.600 -0.054 0.000 1.050 4177 K CA 0.989 57.250 56.287 -0.044 0.000 0.938 4177 K CB -0.002 32.481 32.500 -0.028 0.000 0.718 4177 K HN 0.184 nan 8.250 nan 0.000 0.442 4178 L N 0.219 121.403 121.223 -0.066 0.000 2.095 4178 L HA -0.044 4.288 4.340 -0.014 0.000 0.204 4178 L C 2.584 179.419 176.870 -0.058 0.000 1.080 4178 L CA 0.613 55.426 54.840 -0.045 0.000 0.759 4178 L CB -0.583 41.473 42.059 -0.006 0.000 0.914 4178 L HN 0.134 nan 8.230 nan 0.000 0.439 4179 A N 0.895 123.688 122.820 -0.046 0.000 1.884 4179 A HA -0.245 4.067 4.320 -0.014 0.000 0.219 4179 A C 2.375 179.774 177.584 -0.309 0.000 1.197 4179 A CA 2.280 54.301 52.037 -0.027 0.000 0.637 4179 A CB -1.475 17.626 19.000 0.169 0.000 0.827 4179 A HN 0.449 nan 8.150 nan 0.000 0.450 4180 G N -0.737 107.786 108.800 -0.462 0.000 2.421 4180 G HA2 -0.284 3.667 3.960 -0.014 0.000 0.216 4180 G HA3 -0.284 3.667 3.960 -0.014 0.000 0.216 4180 G C 1.433 176.132 174.900 -0.335 0.000 1.171 4180 G CA 1.115 45.764 45.100 -0.751 0.000 0.775 4180 G HN 0.723 nan 8.290 nan 0.000 0.543 4181 N N -0.234 118.367 118.700 -0.165 0.000 2.396 4181 N HA 0.062 4.793 4.740 -0.014 0.000 0.180 4181 N C 2.100 177.574 175.510 -0.059 0.000 1.028 4181 N CA 0.149 53.152 53.050 -0.079 0.000 0.893 4181 N CB -0.047 38.411 38.487 -0.048 0.000 0.967 4181 N HN 0.247 nan 8.380 nan 0.000 0.440 4182 L N 0.315 121.497 121.223 -0.068 0.000 2.162 4182 L HA -0.038 4.293 4.340 -0.014 0.000 0.205 4182 L C 2.324 179.189 176.870 -0.008 0.000 1.086 4182 L CA 0.742 55.565 54.840 -0.028 0.000 0.778 4182 L CB -0.072 41.981 42.059 -0.009 0.000 0.928 4182 L HN 0.020 nan 8.230 nan 0.000 0.446 4183 K N 0.587 120.979 120.400 -0.013 0.000 2.031 4183 K HA -0.155 4.156 4.320 -0.014 0.000 0.205 4183 K C 2.046 178.683 176.600 0.061 0.000 1.049 4183 K CA 1.520 57.844 56.287 0.061 0.000 0.939 4183 K CB -0.165 32.446 32.500 0.186 0.000 0.717 4183 K HN 0.101 nan 8.250 nan 0.000 0.438 4184 Q N -0.421 119.407 119.800 0.047 0.000 2.437 4184 Q HA 0.035 4.367 4.340 -0.014 0.000 0.210 4184 Q C 1.017 177.034 176.000 0.029 0.000 0.972 4184 Q CA 1.322 57.156 55.803 0.051 0.000 0.903 4184 Q CB 0.228 28.998 28.738 0.054 0.000 0.967 4184 Q HN 0.216 nan 8.270 nan 0.000 0.486 4185 S N 0.001 115.710 115.700 0.015 0.000 2.524 4185 S HA 0.043 4.505 4.470 -0.014 0.000 0.215 4185 S C 0.194 174.800 174.600 0.010 0.000 0.986 4185 S CA -0.221 57.984 58.200 0.009 0.000 0.911 4185 S CB 0.304 63.503 63.200 -0.002 0.000 0.805 4185 S HN 0.406 nan 8.310 nan 0.000 0.501 4186 N N 2.611 121.321 118.700 0.017 0.000 2.705 4186 N HA -0.140 4.592 4.740 -0.014 0.000 0.255 4186 N C -1.348 174.166 175.510 0.006 0.000 1.008 4186 N CA 0.738 53.797 53.050 0.016 0.000 0.742 4186 N CB -1.412 37.085 38.487 0.016 0.000 0.906 4186 N HN 0.280 nan 8.380 nan 0.000 0.541 4187 T N 1.228 115.783 114.554 0.002 0.000 2.792 4187 T HA 0.459 4.801 4.350 -0.014 0.000 0.280 4187 T C 0.205 174.898 174.700 -0.010 0.000 0.990 4187 T CA -0.727 61.368 62.100 -0.009 0.000 0.960 4187 T CB 1.727 70.585 68.868 -0.017 0.000 0.939 4187 T HN 0.283 nan 8.240 nan 0.000 0.439 4188 L N 4.250 125.463 121.223 -0.016 0.000 2.349 4188 L HA 0.617 4.949 4.340 -0.014 0.000 0.275 4188 L C -0.962 175.878 176.870 -0.051 0.000 1.115 4188 L CA -0.300 54.528 54.840 -0.019 0.000 0.820 4188 L CB 0.429 42.478 42.059 -0.016 0.000 1.135 4188 L HN 0.641 nan 8.230 nan 0.000 0.445 4189 L N 6.531 127.721 121.223 -0.056 0.000 2.376 4189 L HA 0.550 4.882 4.340 -0.014 0.000 0.275 4189 L C -1.153 175.629 176.870 -0.146 0.000 0.987 4189 L CA -0.461 54.290 54.840 -0.148 0.000 0.828 4189 L CB 1.428 43.392 42.059 -0.159 0.000 1.249 4189 L HN 0.653 nan 8.230 nan 0.000 0.409 4190 I N 4.347 124.784 120.570 -0.221 0.000 2.339 4190 I HA 0.307 4.468 4.170 -0.014 0.000 0.290 4190 I C -0.883 175.075 176.117 -0.265 0.000 0.994 4190 I CA -0.315 60.903 61.300 -0.137 0.000 1.191 4190 I CB 1.371 39.329 38.000 -0.070 0.000 1.343 4190 I HN 0.377 nan 8.210 nan 0.000 0.458 4191 F N 6.485 126.422 119.950 -0.023 0.000 2.405 4191 F HA 0.469 4.987 4.527 -0.015 0.000 0.355 4191 F C 0.431 176.230 175.800 -0.001 0.000 1.121 4191 F CA -0.438 57.546 58.000 -0.026 0.000 1.112 4191 F CB 0.958 39.953 39.000 -0.008 0.000 1.126 4191 F HN 0.220 nan 8.300 nan 0.000 0.481 4192 I N 3.454 124.108 120.570 0.140 0.000 2.428 4192 I HA 0.199 4.361 4.170 -0.014 0.000 0.289 4192 I C -0.179 176.029 176.117 0.152 0.000 1.019 4192 I CA -0.065 61.310 61.300 0.125 0.000 1.351 4192 I CB 1.067 39.111 38.000 0.073 0.000 1.412 4192 I HN 0.653 nan 8.210 nan 0.000 0.513 4193 N N 4.123 122.921 118.700 0.163 0.000 2.262 4193 N HA 0.370 5.102 4.740 -0.014 0.000 0.295 4193 N C -1.283 174.313 175.510 0.142 0.000 1.161 4193 N CA -0.695 52.439 53.050 0.139 0.000 0.767 4193 N CB 1.775 40.337 38.487 0.125 0.000 1.499 4193 N HN 0.539 nan 8.380 nan 0.000 0.476 4194 Q N 0.953 120.809 119.800 0.093 0.000 2.180 4194 Q HA 0.492 4.823 4.340 -0.014 0.000 0.241 4194 Q C -0.599 175.437 176.000 0.061 0.000 0.970 4194 Q CA -0.613 55.240 55.803 0.084 0.000 0.919 4194 Q CB 1.987 30.760 28.738 0.058 0.000 1.222 4194 Q HN 0.476 nan 8.270 nan 0.000 0.482 4195 I N 1.460 122.068 120.570 0.063 0.000 2.359 4195 I HA 0.340 4.502 4.170 -0.014 0.000 0.294 4195 I C 0.100 176.223 176.117 0.011 0.000 0.987 4195 I CA -0.623 60.694 61.300 0.029 0.000 1.225 4195 I CB 0.761 38.801 38.000 0.068 0.000 1.366 4195 I HN 0.366 nan 8.210 nan 0.000 0.466 4206 P HA 0.332 nan 4.420 nan 0.000 0.253 4206 P C -0.828 176.468 177.300 -0.007 0.000 1.459 4206 P CA 0.226 63.325 63.100 -0.002 0.000 0.908 4206 P CB 0.264 31.964 31.700 0.001 0.000 1.470 4207 E N 0.018 120.213 120.200 -0.009 0.000 2.191 4207 E HA 0.424 4.766 4.350 -0.014 0.000 0.278 4207 E C -0.160 176.403 176.600 -0.062 0.000 0.972 4207 E CA -0.330 56.057 56.400 -0.022 0.000 0.804 4207 E CB 1.609 31.309 29.700 -0.001 0.000 1.110 4207 E HN 0.097 nan 8.360 nan 0.000 0.394 4208 T N 0.129 114.634 114.554 -0.081 0.000 2.604 4208 T HA 0.500 4.841 4.350 -0.014 0.000 0.267 4208 T C -0.325 174.274 174.700 -0.169 0.000 0.923 4208 T CA -0.722 61.302 62.100 -0.127 0.000 1.077 4208 T CB 1.631 70.448 68.868 -0.086 0.000 1.392 4208 T HN 0.267 nan 8.240 nan 0.000 0.531 4209 T N 1.842 116.296 114.554 -0.166 0.000 2.921 4209 T HA 0.560 4.901 4.350 -0.014 0.000 0.297 4209 T C -0.548 174.095 174.700 -0.095 0.000 1.013 4209 T CA -0.565 61.432 62.100 -0.172 0.000 0.990 4209 T CB 1.340 70.043 68.868 -0.275 0.000 1.023 4209 T HN 0.746 nan 8.240 nan 0.000 0.447 4210 T N 1.316 115.835 114.554 -0.060 0.000 2.900 4210 T HA 0.470 4.812 4.350 -0.014 0.000 0.307 4210 T C 1.313 175.982 174.700 -0.052 0.000 1.065 4210 T CA 0.370 62.446 62.100 -0.041 0.000 1.105 4210 T CB 0.535 69.392 68.868 -0.018 0.000 0.979 4210 T HN 1.172 nan 8.240 nan 0.000 0.544 4211 G N 0.584 109.356 108.800 -0.047 0.000 2.171 4211 G HA2 0.249 4.201 3.960 -0.014 0.000 0.238 4211 G HA3 0.249 4.201 3.960 -0.014 0.000 0.238 4211 G C 0.713 175.579 174.900 -0.058 0.000 1.039 4211 G CA 0.091 45.156 45.100 -0.059 0.000 0.759 4211 G HN 1.827 nan 8.290 nan 0.000 0.501 4212 G N -0.148 108.629 108.800 -0.039 0.000 2.601 4212 G HA2 -0.256 3.696 3.960 -0.014 0.000 0.261 4212 G HA3 -0.256 3.696 3.960 -0.014 0.000 0.261 4212 G C 0.698 175.599 174.900 0.002 0.000 1.289 4212 G CA 0.541 45.630 45.100 -0.017 0.000 0.920 4212 G HN 0.953 nan 8.290 nan 0.000 0.571 4213 N N 0.610 119.344 118.700 0.055 0.000 2.325 4213 N HA 0.197 4.928 4.740 -0.014 0.000 0.182 4213 N C 2.465 178.123 175.510 0.245 0.000 1.088 4213 N CA 1.280 54.414 53.050 0.140 0.000 0.879 4213 N CB -0.035 38.583 38.487 0.219 0.000 0.983 4213 N HN 0.848 nan 8.380 nan 0.000 0.471 4214 A N 1.617 124.534 122.820 0.161 0.000 1.884 4214 A HA -0.174 4.137 4.320 -0.014 0.000 0.219 4214 A C 2.167 179.910 177.584 0.265 0.000 1.197 4214 A CA 1.276 53.435 52.037 0.204 0.000 0.637 4214 A CB -0.789 18.228 19.000 0.028 0.000 0.827 4214 A HN 0.222 nan 8.150 nan 0.000 0.450 4215 L N -0.226 121.038 121.223 0.067 0.000 2.093 4215 L HA -0.123 4.209 4.340 -0.014 0.000 0.208 4215 L C 2.226 179.151 176.870 0.091 0.000 1.085 4215 L CA 2.106 56.954 54.840 0.013 0.000 0.755 4215 L CB -0.545 41.411 42.059 -0.171 0.000 0.904 4215 L HN 0.369 nan 8.230 nan 0.000 0.435 4216 K N -1.064 119.368 120.400 0.052 0.000 2.059 4216 K HA -0.242 4.069 4.320 -0.014 0.000 0.212 4216 K C 2.058 178.613 176.600 -0.074 0.000 1.050 4216 K CA 2.182 58.433 56.287 -0.059 0.000 0.927 4216 K CB -0.483 31.900 32.500 -0.195 0.000 0.714 4216 K HN 0.271 nan 8.250 nan 0.000 0.447 4217 F N -0.654 119.335 119.950 0.065 0.000 2.128 4217 F HA -0.131 4.387 4.527 -0.015 0.000 0.295 4217 F C 2.148 177.933 175.800 -0.026 0.000 1.100 4217 F CA 1.161 59.162 58.000 0.003 0.000 1.260 4217 F CB -0.397 38.580 39.000 -0.040 0.000 1.009 4217 F HN 0.007 nan 8.300 nan 0.000 0.476 4218 Y N 0.022 120.437 120.300 0.192 0.000 2.395 4218 Y HA 0.199 4.740 4.550 -0.014 0.000 0.293 4218 Y C 1.611 177.564 175.900 0.089 0.000 1.123 4218 Y CA -0.020 58.156 58.100 0.126 0.000 1.227 4218 Y CB -0.675 37.840 38.460 0.091 0.000 1.012 4218 Y HN -0.111 nan 8.280 nan 0.000 0.552 4219 A N -0.112 122.832 122.820 0.207 0.000 2.511 4219 A HA 0.149 4.460 4.320 -0.014 0.000 0.242 4219 A C 1.205 178.834 177.584 0.074 0.000 1.069 4219 A CA 0.409 52.526 52.037 0.134 0.000 0.763 4219 A CB 0.177 19.238 19.000 0.101 0.000 1.001 4219 A HN 0.341 nan 8.150 nan 0.000 0.498 4220 S N 0.605 116.341 115.700 0.061 0.000 2.458 4220 S HA 0.168 4.629 4.470 -0.014 0.000 0.223 4220 S C 0.397 174.980 174.600 -0.028 0.000 1.019 4220 S CA 0.470 58.677 58.200 0.013 0.000 0.937 4220 S CB 0.111 63.324 63.200 0.022 0.000 0.788 4220 S HN 0.557 nan 8.310 nan 0.000 0.511 4221 V N 2.271 122.179 119.914 -0.010 0.000 2.709 4221 V HA 0.502 4.613 4.120 -0.014 0.000 0.308 4221 V C -0.744 175.344 176.094 -0.010 0.000 1.062 4221 V CA -0.834 61.444 62.300 -0.038 0.000 0.901 4221 V CB 2.094 33.896 31.823 -0.035 0.000 1.003 4221 V HN 0.128 nan 8.190 nan 0.000 0.425 4222 R N 3.816 124.295 120.500 -0.036 0.000 2.502 4222 R HA 0.632 4.963 4.340 -0.014 0.000 0.300 4222 R C -1.895 174.372 176.300 -0.054 0.000 0.984 4222 R CA -0.830 55.277 56.100 0.012 0.000 0.882 4222 R CB 2.209 32.550 30.300 0.067 0.000 1.180 4222 R HN 0.371 nan 8.270 nan 0.000 0.444 4223 L N 2.106 123.270 121.223 -0.099 0.000 2.329 4223 L HA 0.352 4.683 4.340 -0.014 0.000 0.279 4223 L C -0.152 176.419 176.870 -0.500 0.000 1.014 4223 L CA -0.405 54.316 54.840 -0.199 0.000 0.814 4223 L CB 1.490 43.485 42.059 -0.108 0.000 1.257 4223 L HN 0.448 nan 8.230 nan 0.000 0.424 4224 D N 3.819 123.938 120.400 -0.469 0.000 2.461 4224 D HA 0.272 4.903 4.640 -0.014 0.000 0.240 4224 D C -0.820 175.312 176.300 -0.280 0.000 1.094 4224 D CA -0.237 53.391 54.000 -0.619 0.000 0.868 4224 D CB 0.913 41.460 40.800 -0.422 0.000 1.062 4224 D HN 0.446 nan 8.370 nan 0.000 0.530 4225 I N 3.089 123.523 120.570 -0.227 0.000 2.392 4225 I HA 0.500 4.661 4.170 -0.014 0.000 0.295 4225 I C -0.793 175.280 176.117 -0.074 0.000 0.985 4225 I CA -0.600 60.633 61.300 -0.111 0.000 1.221 4225 I CB 0.601 38.574 38.000 -0.046 0.000 1.366 4225 I HN 0.221 nan 8.210 nan 0.000 0.467 4226 R N 5.701 126.154 120.500 -0.078 0.000 2.584 4226 R HA 0.362 4.694 4.340 -0.014 0.000 0.276 4226 R C -1.052 175.209 176.300 -0.065 0.000 1.046 4226 R CA -0.869 55.202 56.100 -0.049 0.000 0.906 4226 R CB 1.935 32.213 30.300 -0.037 0.000 1.215 4226 R HN 0.571 nan 8.270 nan 0.000 0.449 4227 R N 4.213 124.696 120.500 -0.028 0.000 2.316 4227 R HA 0.138 4.469 4.340 -0.014 0.000 0.314 4227 R C 0.672 176.956 176.300 -0.028 0.000 1.069 4227 R CA 0.168 56.253 56.100 -0.024 0.000 0.959 4227 R CB 0.383 30.694 30.300 0.019 0.000 0.987 4227 R HN 0.777 nan 8.270 nan 0.000 0.446 4228 I N 0.717 121.259 120.570 -0.047 0.000 4.035 4228 I HA 0.467 4.628 4.170 -0.014 0.000 0.321 4228 I C 0.586 176.688 176.117 -0.024 0.000 1.289 4228 I CA -0.146 61.131 61.300 -0.038 0.000 1.236 4228 I CB 0.893 38.859 38.000 -0.057 0.000 1.076 4228 I HN 0.589 nan 8.210 nan 0.000 0.418 4229 G N 0.927 109.714 108.800 -0.022 0.000 2.559 4229 G HA2 0.696 4.648 3.960 -0.014 0.000 0.291 4229 G HA3 0.696 4.648 3.960 -0.014 0.000 0.291 4229 G C -1.943 172.956 174.900 -0.003 0.000 1.424 4229 G CA -0.265 44.828 45.100 -0.010 0.000 0.786 4229 G HN 0.287 nan 8.290 nan 0.000 0.485 4230 A N -0.463 122.360 122.820 0.005 0.000 2.305 4230 A HA 0.690 5.001 4.320 -0.014 0.000 0.322 4230 A C -0.195 177.382 177.584 -0.012 0.000 1.187 4230 A CA -0.518 51.526 52.037 0.013 0.000 0.825 4230 A CB 1.466 20.488 19.000 0.037 0.000 1.164 4230 A HN 1.294 nan 8.150 nan 0.000 0.498 4231 V N 4.332 124.221 119.914 -0.043 0.000 2.356 4231 V HA 0.145 4.256 4.120 -0.014 0.000 0.258 4231 V C 0.484 176.561 176.094 -0.028 0.000 1.065 4231 V CA -0.109 62.159 62.300 -0.054 0.000 0.935 4231 V CB -0.166 31.595 31.823 -0.104 0.000 1.061 4231 V HN 0.826 nan 8.190 nan 0.000 0.484 4232 K N 3.086 123.480 120.400 -0.009 0.000 2.090 4232 K HA 0.491 4.803 4.320 -0.014 0.000 0.249 4232 K C 0.046 176.647 176.600 0.002 0.000 0.995 4232 K CA -0.614 55.677 56.287 0.005 0.000 0.914 4232 K CB 1.330 33.836 32.500 0.009 0.000 1.057 4232 K HN 0.464 nan 8.250 nan 0.000 0.462 4233 E N 0.783 120.989 120.200 0.010 0.000 4.170 4233 E HA 0.135 4.476 4.350 -0.014 0.000 0.215 4233 E C 0.395 177.000 176.600 0.009 0.000 1.119 4233 E CA -0.025 56.380 56.400 0.008 0.000 1.396 4233 E CB 0.750 30.459 29.700 0.015 0.000 1.182 4233 E HN 1.020 nan 8.360 nan 0.000 0.438 4234 G N 1.984 110.788 108.800 0.006 0.000 5.431 4234 G HA2 -0.398 3.553 3.960 -0.014 0.000 0.322 4234 G HA3 -0.398 3.553 3.960 -0.014 0.000 0.322 4234 G C 1.063 175.969 174.900 0.011 0.000 1.370 4234 G CA 0.729 45.833 45.100 0.006 0.000 0.963 4234 G HN 0.400 nan 8.290 nan 0.000 0.797 4235 E N 1.503 121.712 120.200 0.014 0.000 2.162 4235 E HA 0.086 4.428 4.350 -0.014 0.000 0.193 4235 E C 1.033 177.648 176.600 0.024 0.000 0.953 4235 E CA 0.283 56.693 56.400 0.017 0.000 0.849 4235 E CB -0.113 29.596 29.700 0.016 0.000 0.810 4235 E HN 0.637 nan 8.360 nan 0.000 0.470 4236 N N 0.447 119.164 118.700 0.028 0.000 2.525 4236 N HA 0.113 4.844 4.740 -0.014 0.000 0.271 4236 N C -0.792 174.750 175.510 0.054 0.000 1.194 4236 N CA -0.092 52.984 53.050 0.043 0.000 0.964 4236 N CB 1.639 40.153 38.487 0.045 0.000 1.126 4236 N HN -0.214 nan 8.380 nan 0.000 0.452 4237 V N 2.320 122.285 119.914 0.084 0.000 2.318 4237 V HA 0.118 4.230 4.120 -0.014 0.000 0.271 4237 V C 0.572 176.779 176.094 0.189 0.000 1.030 4237 V CA -0.314 62.058 62.300 0.121 0.000 0.844 4237 V CB 1.183 33.097 31.823 0.152 0.000 1.015 4237 V HN 0.548 nan 8.190 nan 0.000 0.460 4238 V N 4.381 124.344 119.914 0.082 0.000 3.660 4238 V HA 0.634 4.746 4.120 -0.014 0.000 0.276 4238 V C 0.834 176.749 176.094 -0.299 0.000 1.317 4238 V CA 1.276 63.608 62.300 0.053 0.000 1.097 4238 V CB 0.266 32.104 31.823 0.025 0.000 0.863 4238 V HN 0.908 nan 8.190 nan 0.000 0.438 4239 G N -1.167 107.290 108.800 -0.572 0.000 2.559 4239 G HA2 0.478 4.429 3.960 -0.014 0.000 0.291 4239 G HA3 0.478 4.429 3.960 -0.014 0.000 0.291 4239 G C -1.484 173.051 174.900 -0.608 0.000 1.424 4239 G CA -0.270 44.198 45.100 -1.054 0.000 0.786 4239 G HN -0.012 nan 8.290 nan 0.000 0.485 4240 S N -0.120 115.327 115.700 -0.422 0.000 2.456 4240 S HA 0.486 4.947 4.470 -0.014 0.000 0.316 4240 S C -0.312 174.239 174.600 -0.081 0.000 1.089 4240 S CA -0.419 57.726 58.200 -0.092 0.000 1.101 4240 S CB 1.621 64.860 63.200 0.066 0.000 0.995 4240 S HN 0.585 nan 8.310 nan 0.000 0.468 4241 E N 2.121 122.280 120.200 -0.069 0.000 2.376 4241 E HA 0.290 4.632 4.350 -0.014 0.000 0.266 4241 E C -0.572 175.944 176.600 -0.141 0.000 1.009 4241 E CA 0.505 56.852 56.400 -0.089 0.000 0.902 4241 E CB 0.542 30.204 29.700 -0.065 0.000 0.972 4241 E HN 0.450 nan 8.360 nan 0.000 0.439 4242 T N 4.957 119.346 114.554 -0.274 0.000 2.893 4242 T HA 0.491 4.832 4.350 -0.014 0.000 0.293 4242 T C -0.909 173.461 174.700 -0.550 0.000 1.027 4242 T CA -0.793 61.047 62.100 -0.433 0.000 0.988 4242 T CB 1.270 69.775 68.868 -0.606 0.000 1.043 4242 T HN 0.374 nan 8.240 nan 0.000 0.461 4243 R N 2.257 122.530 120.500 -0.380 0.000 2.532 4243 R HA 0.695 5.026 4.340 -0.014 0.000 0.297 4243 R C -1.934 174.239 176.300 -0.211 0.000 0.984 4243 R CA -0.502 55.428 56.100 -0.283 0.000 0.884 4243 R CB 1.343 31.551 30.300 -0.153 0.000 1.182 4243 R HN 0.464 nan 8.270 nan 0.000 0.442 4244 V N 4.523 124.342 119.914 -0.157 0.000 2.495 4244 V HA 0.427 4.539 4.120 -0.014 0.000 0.298 4244 V C -0.246 175.820 176.094 -0.046 0.000 1.031 4244 V CA -0.796 61.459 62.300 -0.076 0.000 0.871 4244 V CB 1.913 33.748 31.823 0.020 0.000 0.988 4244 V HN 0.668 nan 8.190 nan 0.000 0.432 4245 K N 2.836 123.201 120.400 -0.059 0.000 2.206 4245 K HA 0.576 4.888 4.320 -0.014 0.000 0.264 4245 K C -1.013 175.551 176.600 -0.059 0.000 0.967 4245 K CA -0.677 55.595 56.287 -0.026 0.000 0.844 4245 K CB 2.202 34.708 32.500 0.010 0.000 1.099 4245 K HN 0.459 nan 8.250 nan 0.000 0.441 4246 V N 4.621 124.499 119.914 -0.060 0.000 2.415 4246 V HA -0.008 4.103 4.120 -0.014 0.000 0.267 4246 V C 1.036 176.993 176.094 -0.230 0.000 1.042 4246 V CA 0.062 62.283 62.300 -0.131 0.000 1.000 4246 V CB 0.951 32.691 31.823 -0.140 0.000 1.015 4246 V HN 0.648 nan 8.190 nan 0.000 0.478 4247 V N 3.986 123.773 119.914 -0.212 0.000 2.949 4247 V HA 0.178 4.290 4.120 -0.014 0.000 0.245 4247 V C 0.813 176.671 176.094 -0.394 0.000 1.086 4247 V CA 0.844 63.010 62.300 -0.224 0.000 1.097 4247 V CB 0.043 31.881 31.823 0.025 0.000 0.762 4247 V HN 0.771 nan 8.190 nan 0.000 0.470 4248 K N 1.099 121.330 120.400 -0.282 0.000 2.371 4248 K HA 0.430 4.741 4.320 -0.014 0.000 0.251 4248 K C -1.503 174.933 176.600 -0.273 0.000 0.934 4248 K CA -0.567 55.546 56.287 -0.290 0.000 0.798 4248 K CB 1.721 34.128 32.500 -0.156 0.000 1.204 4248 K HN 0.119 nan 8.250 nan 0.000 0.427 4249 N N 3.006 121.520 118.700 -0.309 0.000 2.549 4249 N HA 0.192 4.923 4.740 -0.014 0.000 0.290 4249 N C -0.837 174.517 175.510 -0.260 0.000 1.122 4249 N CA -0.306 52.585 53.050 -0.265 0.000 0.885 4249 N CB 1.567 39.871 38.487 -0.303 0.000 1.455 4249 N HN 0.603 nan 8.380 nan 0.000 0.521 4250 K N 2.239 122.525 120.400 -0.190 0.000 2.374 4250 K HA 0.256 4.567 4.320 -0.014 0.000 0.196 4250 K C 0.781 177.263 176.600 -0.197 0.000 1.023 4250 K CA 0.121 56.295 56.287 -0.188 0.000 1.103 4250 K CB 0.600 33.040 32.500 -0.101 0.000 0.848 4250 K HN 0.378 nan 8.250 nan 0.000 0.528 4251 I N -0.212 120.254 120.570 -0.174 0.000 3.883 4251 I HA 0.155 4.316 4.170 -0.014 0.000 0.305 4251 I C 0.236 176.274 176.117 -0.131 0.000 1.247 4251 I CA 0.037 61.263 61.300 -0.125 0.000 1.350 4251 I CB 0.951 38.906 38.000 -0.076 0.000 1.194 4251 I HN -0.050 nan 8.210 nan 0.000 0.441 4252 A N -0.452 122.268 122.820 -0.167 0.000 2.534 4252 A HA 0.851 5.162 4.320 -0.014 0.000 0.300 4252 A C -0.876 176.583 177.584 -0.208 0.000 1.223 4252 A CA -0.182 51.773 52.037 -0.136 0.000 0.666 4252 A CB -0.097 18.856 19.000 -0.079 0.000 1.316 4252 A HN 0.063 nan 8.150 nan 0.000 0.468 4253 A N 1.316 124.047 122.820 -0.147 0.000 2.520 4253 A HA 0.563 4.874 4.320 -0.014 0.000 0.245 4253 A C -2.058 175.366 177.584 -0.266 0.000 1.072 4253 A CA -0.541 51.362 52.037 -0.222 0.000 0.761 4253 A CB -0.744 18.249 19.000 -0.012 0.000 1.004 4253 A HN 0.515 nan 8.150 nan 0.000 0.499 4254 P HA 0.521 nan 4.420 nan 0.000 0.282 4254 P C -0.137 177.040 177.300 -0.204 0.000 1.287 4254 P CA -0.320 62.495 63.100 -0.475 0.000 0.792 4254 P CB 0.179 31.367 31.700 -0.853 0.000 1.163 4255 F N -4.592 115.319 119.950 -0.064 0.000 2.840 4255 F HA -0.203 4.314 4.527 -0.016 0.000 0.310 4255 F C 0.652 176.450 175.800 -0.004 0.000 0.688 4255 F CA 0.762 58.753 58.000 -0.016 0.000 1.286 4255 F CB -2.411 36.601 39.000 0.021 0.000 1.612 4255 F HN 0.228 nan 8.300 nan 0.000 0.335 4256 K N 1.278 121.733 120.400 0.092 0.000 2.202 4256 K HA 0.454 4.765 4.320 -0.014 0.000 0.264 4256 K C 0.431 177.059 176.600 0.046 0.000 1.010 4256 K CA -0.269 56.058 56.287 0.066 0.000 0.940 4256 K CB 0.749 33.268 32.500 0.033 0.000 0.983 4256 K HN 0.416 nan 8.250 nan 0.000 0.475 4257 Q N 0.230 120.056 119.800 0.043 0.000 2.397 4257 Q HA 0.721 5.053 4.340 -0.014 0.000 0.275 4257 Q C -1.707 174.309 176.000 0.026 0.000 1.090 4257 Q CA -1.236 54.584 55.803 0.027 0.000 0.809 4257 Q CB 2.150 30.903 28.738 0.025 0.000 1.362 4257 Q HN 0.523 nan 8.270 nan 0.000 0.431 4258 A N 2.023 124.860 122.820 0.029 0.000 2.355 4258 A HA 0.638 4.950 4.320 -0.014 0.000 0.317 4258 A C -1.074 176.514 177.584 0.007 0.000 1.094 4258 A CA -0.661 51.413 52.037 0.062 0.000 0.764 4258 A CB 1.508 20.592 19.000 0.140 0.000 1.230 4258 A HN 0.799 nan 8.150 nan 0.000 0.448 4259 E N 0.247 120.450 120.200 0.005 0.000 2.244 4259 E HA 0.774 5.116 4.350 -0.014 0.000 0.266 4259 E C -1.089 175.514 176.600 0.005 0.000 0.914 4259 E CA -0.394 55.930 56.400 -0.126 0.000 0.794 4259 E CB 2.091 31.740 29.700 -0.086 0.000 1.210 4259 E HN 0.666 nan 8.360 nan 0.000 0.414 4260 F N -1.923 118.007 119.950 -0.032 0.000 3.332 4260 F HA 0.346 4.864 4.527 -0.015 0.000 0.327 4260 F C -1.734 174.043 175.800 -0.039 0.000 1.128 4260 F CA -1.177 56.798 58.000 -0.043 0.000 0.854 4260 F CB 0.866 39.834 39.000 -0.052 0.000 1.500 4260 F HN 0.183 nan 8.300 nan 0.000 0.485 4261 Q N 1.263 121.265 119.800 0.337 0.000 2.333 4261 Q HA 0.668 4.999 4.340 -0.014 0.000 0.267 4261 Q C -1.298 174.845 176.000 0.238 0.000 1.012 4261 Q CA -0.758 55.144 55.803 0.166 0.000 0.824 4261 Q CB 3.025 31.798 28.738 0.058 0.000 1.290 4261 Q HN 0.571 nan 8.270 nan 0.000 0.449 4262 I N 3.864 124.516 120.570 0.137 0.000 2.307 4262 I HA 0.222 4.384 4.170 -0.014 0.000 0.289 4262 I C -0.523 175.538 176.117 -0.094 0.000 1.021 4262 I CA -0.435 60.924 61.300 0.099 0.000 1.224 4262 I CB 0.601 38.700 38.000 0.164 0.000 1.376 4262 I HN 0.367 nan 8.210 nan 0.000 0.470 4263 L N 7.107 128.298 121.223 -0.053 0.000 2.278 4263 L HA 0.292 4.624 4.340 -0.014 0.000 0.287 4263 L C -0.551 176.327 176.870 0.014 0.000 1.072 4263 L CA -0.826 53.946 54.840 -0.112 0.000 0.819 4263 L CB 0.024 42.067 42.059 -0.028 0.000 1.176 4263 L HN 0.391 nan 8.230 nan 0.000 0.435 4264 Y N 2.360 122.733 120.300 0.123 0.000 2.729 4264 Y HA 0.180 4.722 4.550 -0.014 0.000 0.331 4264 Y C 1.480 177.501 175.900 0.202 0.000 1.208 4264 Y CA 0.562 58.768 58.100 0.176 0.000 1.521 4264 Y CB -0.149 38.374 38.460 0.106 0.000 1.233 4264 Y HN 0.866 nan 8.280 nan 0.000 0.539 4265 G N 2.015 111.133 108.800 0.529 0.000 2.176 4265 G HA2 -0.334 3.618 3.960 -0.014 0.000 0.253 4265 G HA3 -0.334 3.618 3.960 -0.014 0.000 0.253 4265 G C 0.813 175.742 174.900 0.050 0.000 0.979 4265 G CA 0.609 45.893 45.100 0.307 0.000 0.641 4265 G HN 0.632 nan 8.290 nan 0.000 0.530 4266 E N -1.346 118.878 120.200 0.039 0.000 2.564 4266 E HA 0.475 4.816 4.350 -0.014 0.000 0.203 4266 E C 1.321 177.884 176.600 -0.062 0.000 0.867 4266 E CA 1.277 57.663 56.400 -0.023 0.000 1.250 4266 E CB 0.717 30.426 29.700 0.015 0.000 1.215 4266 E HN 1.637 nan 8.360 nan 0.000 0.566 4267 G N 0.644 109.439 108.800 -0.009 0.000 2.306 4267 G HA2 -0.113 3.839 3.960 -0.014 0.000 0.262 4267 G HA3 -0.113 3.839 3.960 -0.014 0.000 0.262 4267 G C -0.886 174.022 174.900 0.012 0.000 1.263 4267 G CA -0.470 44.622 45.100 -0.013 0.000 1.088 4267 G HN 0.136 nan 8.290 nan 0.000 0.489 4268 I N 1.990 122.543 120.570 -0.028 0.000 2.705 4268 I HA -0.003 4.158 4.170 -0.014 0.000 0.291 4268 I C 0.954 177.047 176.117 -0.041 0.000 1.146 4268 I CA -0.191 61.060 61.300 -0.082 0.000 1.383 4268 I CB -0.031 37.790 38.000 -0.298 0.000 1.454 4268 I HN 0.451 nan 8.210 nan 0.000 0.581 4269 N N 6.082 124.789 118.700 0.012 0.000 2.257 4269 N HA -0.217 4.514 4.740 -0.014 0.000 0.289 4269 N C 0.665 176.181 175.510 0.010 0.000 1.348 4269 N CA 0.589 53.658 53.050 0.033 0.000 1.054 4269 N CB -0.073 38.441 38.487 0.047 0.000 1.478 4269 N HN 0.483 nan 8.380 nan 0.000 0.486 4270 F N 3.887 123.724 119.950 -0.189 0.000 2.113 4270 F HA -0.176 4.342 4.527 -0.014 0.000 0.297 4270 F C 1.047 176.713 175.800 -0.223 0.000 1.103 4270 F CA 1.395 59.226 58.000 -0.281 0.000 1.248 4270 F CB -0.141 38.584 39.000 -0.458 0.000 0.999 4270 F HN 0.456 nan 8.300 nan 0.000 0.475 4271 Y N 0.535 120.954 120.300 0.198 0.000 2.293 4271 Y HA -0.007 4.535 4.550 -0.015 0.000 0.291 4271 Y C 2.650 178.537 175.900 -0.022 0.000 1.137 4271 Y CA 0.832 58.989 58.100 0.096 0.000 1.202 4271 Y CB -1.433 37.087 38.460 0.099 0.000 0.990 4271 Y HN 0.130 nan 8.280 nan 0.000 0.537 4272 G N 0.094 108.959 108.800 0.108 0.000 2.514 4272 G HA2 -0.297 3.654 3.960 -0.014 0.000 0.217 4272 G HA3 -0.297 3.654 3.960 -0.014 0.000 0.217 4272 G C 1.522 176.410 174.900 -0.020 0.000 1.198 4272 G CA 1.276 46.394 45.100 0.030 0.000 0.780 4272 G HN 0.422 nan 8.290 nan 0.000 0.565 4273 E N -0.244 119.906 120.200 -0.083 0.000 2.070 4273 E HA -0.173 4.168 4.350 -0.014 0.000 0.197 4273 E C 2.418 178.928 176.600 -0.150 0.000 1.004 4273 E CA 1.057 57.375 56.400 -0.137 0.000 0.805 4273 E CB -0.261 29.267 29.700 -0.287 0.000 0.744 4273 E HN 0.312 nan 8.360 nan 0.000 0.451 4274 L N 0.720 121.825 121.223 -0.197 0.000 2.046 4274 L HA -0.166 4.165 4.340 -0.014 0.000 0.208 4274 L C 2.221 179.081 176.870 -0.017 0.000 1.077 4274 L CA 1.350 56.118 54.840 -0.120 0.000 0.747 4274 L CB -0.358 41.683 42.059 -0.029 0.000 0.896 4274 L HN -0.031 nan 8.230 nan 0.000 0.432 4275 V N -0.196 119.721 119.914 0.004 0.000 2.255 4275 V HA -0.319 3.792 4.120 -0.014 0.000 0.247 4275 V C 2.326 178.445 176.094 0.042 0.000 1.051 4275 V CA 2.080 64.384 62.300 0.006 0.000 1.018 4275 V CB -0.764 31.013 31.823 -0.076 0.000 0.641 4275 V HN 0.430 nan 8.190 nan 0.000 0.445 4276 D N -0.117 120.299 120.400 0.026 0.000 2.104 4276 D HA -0.131 4.500 4.640 -0.014 0.000 0.194 4276 D C 2.153 178.478 176.300 0.042 0.000 0.994 4276 D CA 1.035 55.065 54.000 0.050 0.000 0.830 4276 D CB -0.320 40.500 40.800 0.033 0.000 0.959 4276 D HN 0.166 nan 8.370 nan 0.000 0.452 4277 L N 0.609 121.837 121.223 0.009 0.000 2.046 4277 L HA -0.082 4.249 4.340 -0.014 0.000 0.208 4277 L C 2.480 179.368 176.870 0.030 0.000 1.077 4277 L CA 1.694 56.537 54.840 0.005 0.000 0.747 4277 L CB -1.557 40.480 42.059 -0.036 0.000 0.896 4277 L HN 0.098 nan 8.230 nan 0.000 0.432 4278 G N -0.857 107.967 108.800 0.041 0.000 2.418 4278 G HA2 -0.165 3.786 3.960 -0.014 0.000 0.217 4278 G HA3 -0.165 3.786 3.960 -0.014 0.000 0.217 4278 G C 1.725 176.683 174.900 0.097 0.000 1.158 4278 G CA 0.889 46.031 45.100 0.070 0.000 0.771 4278 G HN 0.266 nan 8.290 nan 0.000 0.545 4279 V N 0.620 120.602 119.914 0.112 0.000 2.427 4279 V HA -0.109 4.002 4.120 -0.014 0.000 0.248 4279 V C 2.662 178.801 176.094 0.076 0.000 1.051 4279 V CA 2.008 64.378 62.300 0.117 0.000 1.048 4279 V CB -0.324 31.595 31.823 0.159 0.000 0.666 4279 V HN 0.342 nan 8.190 nan 0.000 0.456 4280 K N -0.149 120.289 120.400 0.064 0.000 2.097 4280 K HA -0.159 4.153 4.320 -0.014 0.000 0.205 4280 K C 1.834 178.459 176.600 0.043 0.000 1.050 4280 K CA 1.169 57.484 56.287 0.046 0.000 0.938 4280 K CB 0.034 32.557 32.500 0.038 0.000 0.718 4280 K HN 0.360 nan 8.250 nan 0.000 0.442 4281 E N 0.582 120.812 120.200 0.049 0.000 2.489 4281 E HA -0.018 4.323 4.350 -0.014 0.000 0.193 4281 E C -0.091 176.542 176.600 0.055 0.000 1.057 4281 E CA 0.170 56.599 56.400 0.048 0.000 0.866 4281 E CB 0.486 30.215 29.700 0.049 0.000 0.916 4281 E HN 0.153 nan 8.360 nan 0.000 0.500 4282 K N -0.404 120.032 120.400 0.060 0.000 3.281 4282 K HA -0.189 4.122 4.320 -0.014 0.000 0.295 4282 K C 0.991 177.641 176.600 0.083 0.000 1.233 4282 K CA 0.434 56.757 56.287 0.060 0.000 0.866 4282 K CB -2.094 30.431 32.500 0.041 0.000 1.265 4282 K HN 0.250 nan 8.250 nan 0.000 0.482 4283 L N -0.323 120.970 121.223 0.116 0.000 2.307 4283 L HA 0.186 4.517 4.340 -0.014 0.000 0.211 4283 L C 1.163 178.193 176.870 0.267 0.000 1.099 4283 L CA 0.628 55.579 54.840 0.183 0.000 0.816 4283 L CB 0.103 42.276 42.059 0.191 0.000 0.952 4283 L HN 0.106 nan 8.230 nan 0.000 0.455 4284 I N -0.308 120.387 120.570 0.209 0.000 2.404 4284 I HA 0.203 4.364 4.170 -0.014 0.000 0.293 4284 I C -0.258 175.947 176.117 0.148 0.000 0.992 4284 I CA -0.608 60.832 61.300 0.232 0.000 1.149 4284 I CB 2.148 40.286 38.000 0.231 0.000 1.315 4284 I HN -0.124 nan 8.210 nan 0.000 0.446 4285 E N 5.561 125.830 120.200 0.115 0.000 2.259 4285 E HA 0.226 4.568 4.350 -0.014 0.000 0.281 4285 E C -0.708 175.877 176.600 -0.026 0.000 1.027 4285 E CA -0.278 56.144 56.400 0.037 0.000 0.838 4285 E CB 0.975 30.684 29.700 0.016 0.000 1.066 4285 E HN 0.276 nan 8.360 nan 0.000 0.401 4286 K N 2.716 123.054 120.400 -0.103 0.000 2.464 4286 K HA 0.492 4.804 4.320 -0.014 0.000 0.252 4286 K C -1.355 175.145 176.600 -0.166 0.000 1.000 4286 K CA -0.600 55.519 56.287 -0.281 0.000 0.951 4286 K CB 0.934 33.201 32.500 -0.388 0.000 1.183 4286 K HN 0.516 nan 8.250 nan 0.000 0.445 4287 A N 3.738 126.497 122.820 -0.102 0.000 3.016 4287 A HA 0.500 4.811 4.320 -0.014 0.000 0.303 4287 A C 0.924 178.517 177.584 0.014 0.000 1.507 4287 A CA 0.371 52.393 52.037 -0.025 0.000 1.196 4287 A CB -0.480 18.522 19.000 0.003 0.000 1.169 4287 A HN 1.058 nan 8.150 nan 0.000 0.544 4288 G N 1.416 110.192 108.800 -0.039 0.000 3.274 4288 G HA2 -0.140 3.811 3.960 -0.014 0.000 0.313 4288 G HA3 -0.140 3.811 3.960 -0.014 0.000 0.313 4288 G C 1.334 176.195 174.900 -0.066 0.000 1.295 4288 G CA 0.798 45.886 45.100 -0.020 0.000 1.004 4288 G HN 1.891 nan 8.290 nan 0.000 0.614 4289 A N -0.790 122.023 122.820 -0.012 0.000 2.348 4289 A HA 0.545 4.856 4.320 -0.014 0.000 0.224 4289 A C 0.457 177.946 177.584 -0.158 0.000 1.227 4289 A CA 0.465 52.451 52.037 -0.084 0.000 0.885 4289 A CB 0.068 19.009 19.000 -0.097 0.000 0.933 4289 A HN 0.546 nan 8.150 nan 0.000 0.506 4290 W N -0.730 120.504 121.300 -0.110 0.000 2.390 4290 W HA 0.577 5.228 4.660 -0.015 0.000 0.312 4290 W C -0.858 175.550 176.519 -0.184 0.000 1.123 4290 W CA -0.095 57.215 57.345 -0.059 0.000 1.202 4290 W CB 0.592 30.021 29.460 -0.052 0.000 1.251 4290 W HN 0.186 nan 8.180 nan 0.000 0.511 4291 Y N 2.350 122.758 120.300 0.179 0.000 2.328 4291 Y HA 0.454 4.996 4.550 -0.015 0.000 0.337 4291 Y C 0.297 176.236 175.900 0.065 0.000 0.966 4291 Y CA -0.574 57.576 58.100 0.083 0.000 1.136 4291 Y CB 1.499 39.964 38.460 0.008 0.000 1.170 4291 Y HN 0.141 nan 8.280 nan 0.000 0.470 4292 S N 3.027 118.818 115.700 0.152 0.000 2.482 4292 S HA 0.409 4.870 4.470 -0.014 0.000 0.303 4292 S C -1.810 172.856 174.600 0.111 0.000 1.091 4292 S CA -0.756 57.487 58.200 0.072 0.000 1.057 4292 S CB 1.116 64.330 63.200 0.022 0.000 1.031 4292 S HN 0.500 nan 8.310 nan 0.000 0.485 4293 Y N 2.818 123.063 120.300 -0.092 0.000 2.326 4293 Y HA 0.369 4.910 4.550 -0.015 0.000 0.331 4293 Y C 0.203 176.088 175.900 -0.025 0.000 0.962 4293 Y CA -0.991 57.082 58.100 -0.044 0.000 1.167 4293 Y CB 0.525 38.960 38.460 -0.043 0.000 1.148 4293 Y HN 0.805 nan 8.280 nan 0.000 0.463 4294 K N 4.938 125.018 120.400 -0.533 0.000 3.077 4294 K HA -0.267 4.045 4.320 -0.014 0.000 0.264 4294 K C 0.957 177.433 176.600 -0.206 0.000 1.008 4294 K CA 1.003 57.028 56.287 -0.437 0.000 0.740 4294 K CB -1.630 30.501 32.500 -0.615 0.000 1.273 4294 K HN 1.328 nan 8.250 nan 0.000 0.477 4295 G N 0.155 108.875 108.800 -0.134 0.000 2.320 4295 G HA2 -0.373 3.578 3.960 -0.014 0.000 0.242 4295 G HA3 -0.373 3.578 3.960 -0.014 0.000 0.242 4295 G C -0.053 174.802 174.900 -0.076 0.000 1.033 4295 G CA 0.502 45.548 45.100 -0.090 0.000 0.620 4295 G HN 0.511 nan 8.290 nan 0.000 0.517 4296 E N 1.725 121.881 120.200 -0.073 0.000 2.259 4296 E HA 0.362 4.703 4.350 -0.014 0.000 0.281 4296 E C 0.179 176.721 176.600 -0.097 0.000 1.037 4296 E CA -0.510 55.853 56.400 -0.063 0.000 0.854 4296 E CB 0.260 29.947 29.700 -0.022 0.000 1.051 4296 E HN 0.321 nan 8.360 nan 0.000 0.409 4297 K N 5.064 125.417 120.400 -0.077 0.000 2.379 4297 K HA 0.111 4.423 4.320 -0.014 0.000 0.284 4297 K C 0.928 177.444 176.600 -0.140 0.000 1.044 4297 K CA 0.084 56.359 56.287 -0.021 0.000 0.974 4297 K CB 0.635 33.160 32.500 0.040 0.000 0.962 4297 K HN 0.573 nan 8.250 nan 0.000 0.474 4298 I N -1.672 118.747 120.570 -0.252 0.000 4.181 4298 I HA 0.291 4.453 4.170 -0.014 0.000 0.331 4298 I C 0.604 176.520 176.117 -0.335 0.000 1.312 4298 I CA -0.316 60.537 61.300 -0.744 0.000 1.146 4298 I CB 1.013 38.240 38.000 -1.288 0.000 1.074 4298 I HN 0.538 nan 8.210 nan 0.000 0.402 4299 G N 0.770 109.542 108.800 -0.046 0.000 2.523 4299 G HA2 0.377 4.328 3.960 -0.014 0.000 0.291 4299 G HA3 0.377 4.328 3.960 -0.014 0.000 0.291 4299 G C -2.106 172.695 174.900 -0.165 0.000 1.450 4299 G CA -0.576 44.486 45.100 -0.062 0.000 0.790 4299 G HN 0.116 nan 8.290 nan 0.000 0.496 4300 Q N 0.111 119.690 119.800 -0.369 0.000 2.363 4300 Q HA 0.529 4.861 4.340 -0.014 0.000 0.265 4300 Q C 0.129 175.980 176.000 -0.248 0.000 1.032 4300 Q CA 0.236 55.664 55.803 -0.626 0.000 0.746 4300 Q CB 1.113 29.247 28.738 -1.006 0.000 1.237 4300 Q HN 2.190 nan 8.270 nan 0.000 0.475 4301 G N 2.869 111.675 108.800 0.009 0.000 2.764 4301 G HA2 -0.262 3.689 3.960 -0.014 0.000 0.686 4301 G HA3 -0.262 3.689 3.960 -0.014 0.000 0.686 4301 G C 0.191 175.040 174.900 -0.086 0.000 1.258 4301 G CA 0.014 45.171 45.100 0.094 0.000 0.846 4301 G HN 0.758 nan 8.290 nan 0.000 0.596 4302 K N 1.155 121.483 120.400 -0.120 0.000 2.144 4302 K HA -0.197 4.114 4.320 -0.014 0.000 0.209 4302 K C 2.896 179.361 176.600 -0.226 0.000 1.047 4302 K CA 2.727 58.809 56.287 -0.341 0.000 0.927 4302 K CB -0.354 32.069 32.500 -0.128 0.000 0.716 4302 K HN 1.246 nan 8.250 nan 0.000 0.454 4303 A N 1.315 124.061 122.820 -0.124 0.000 1.869 4303 A HA -0.286 4.025 4.320 -0.014 0.000 0.218 4303 A C 1.765 179.298 177.584 -0.085 0.000 1.203 4303 A CA 2.323 54.311 52.037 -0.082 0.000 0.638 4303 A CB -0.972 17.993 19.000 -0.058 0.000 0.831 4303 A HN 0.624 nan 8.150 nan 0.000 0.450 4304 N N -0.264 118.375 118.700 -0.102 0.000 2.216 4304 N HA 0.078 4.809 4.740 -0.014 0.000 0.183 4304 N C 1.965 177.447 175.510 -0.046 0.000 1.017 4304 N CA 0.938 53.949 53.050 -0.064 0.000 0.861 4304 N CB -0.274 38.166 38.487 -0.079 0.000 0.986 4304 N HN 0.500 nan 8.380 nan 0.000 0.428 4305 A N 0.810 123.531 122.820 -0.165 0.000 1.908 4305 A HA -0.193 4.119 4.320 -0.014 0.000 0.218 4305 A C 2.265 179.822 177.584 -0.046 0.000 1.181 4305 A CA 1.955 53.888 52.037 -0.173 0.000 0.627 4305 A CB -1.173 17.480 19.000 -0.579 0.000 0.818 4305 A HN 0.234 nan 8.150 nan 0.000 0.445 4306 T N 0.370 114.871 114.554 -0.089 0.000 2.652 4306 T HA -0.070 4.271 4.350 -0.014 0.000 0.267 4306 T C 2.222 176.903 174.700 -0.032 0.000 1.039 4306 T CA 1.830 63.919 62.100 -0.018 0.000 1.153 4306 T CB -0.559 68.308 68.868 -0.001 0.000 0.863 4306 T HN 0.638 nan 8.240 nan 0.000 0.428 4307 A N 0.024 122.833 122.820 -0.018 0.000 1.972 4307 A HA -0.110 4.201 4.320 -0.014 0.000 0.219 4307 A C 2.035 179.599 177.584 -0.032 0.000 1.169 4307 A CA 1.467 53.485 52.037 -0.031 0.000 0.635 4307 A CB -1.032 17.966 19.000 -0.003 0.000 0.810 4307 A HN 0.724 nan 8.150 nan 0.000 0.446 4308 W N 0.251 121.467 121.300 -0.139 0.000 2.409 4308 W HA -0.036 4.615 4.660 -0.015 0.000 0.299 4308 W C 1.715 178.127 176.519 -0.178 0.000 1.203 4308 W CA 1.524 58.798 57.345 -0.119 0.000 1.298 4308 W CB -0.215 29.204 29.460 -0.068 0.000 1.127 4308 W HN 0.227 nan 8.180 nan 0.000 0.528 4309 L N 0.742 121.951 121.223 -0.024 0.000 2.191 4309 L HA -0.215 4.116 4.340 -0.014 0.000 0.212 4309 L C 2.471 178.909 176.870 -0.721 0.000 1.103 4309 L CA 1.391 56.054 54.840 -0.295 0.000 0.769 4309 L CB -0.696 41.290 42.059 -0.121 0.000 0.908 4309 L HN -0.044 nan 8.230 nan 0.000 0.438 4310 K N -0.034 119.911 120.400 -0.758 0.000 2.026 4310 K HA -0.185 4.127 4.320 -0.014 0.000 0.208 4310 K C 1.509 177.823 176.600 -0.476 0.000 1.048 4310 K CA 1.707 57.534 56.287 -0.767 0.000 0.929 4310 K CB 0.044 32.305 32.500 -0.399 0.000 0.713 4310 K HN 0.214 nan 8.250 nan 0.000 0.439 4311 D N 0.046 120.181 120.400 -0.441 0.000 2.277 4311 D HA -0.048 4.584 4.640 -0.014 0.000 0.208 4311 D C -0.296 175.718 176.300 -0.478 0.000 0.962 4311 D CA 0.835 54.597 54.000 -0.396 0.000 0.865 4311 D CB 0.026 40.606 40.800 -0.367 0.000 0.939 4311 D HN 0.125 nan 8.370 nan 0.000 0.510 4312 N N 0.275 118.581 118.700 -0.657 0.000 3.012 4312 N HA 0.195 4.927 4.740 -0.014 0.000 0.270 4312 N C -2.128 173.156 175.510 -0.376 0.000 1.469 4312 N CA -1.152 51.542 53.050 -0.593 0.000 0.928 4312 N CB 1.702 39.585 38.487 -1.006 0.000 1.219 4312 N HN -0.072 nan 8.380 nan 0.000 0.492 4313 P HA -0.115 nan 4.420 nan 0.000 0.220 4313 P C 0.971 178.225 177.300 -0.076 0.000 1.148 4313 P CA 1.037 64.060 63.100 -0.129 0.000 0.803 4313 P CB 0.506 32.155 31.700 -0.086 0.000 0.782 4314 E N -0.492 119.654 120.200 -0.091 0.000 2.051 4314 E HA -0.109 4.233 4.350 -0.014 0.000 0.192 4314 E C 1.836 178.425 176.600 -0.019 0.000 0.991 4314 E CA 1.611 57.985 56.400 -0.043 0.000 0.799 4314 E CB -1.535 28.141 29.700 -0.039 0.000 0.748 4314 E HN 0.295 nan 8.360 nan 0.000 0.449 4315 T N 1.446 115.971 114.554 -0.048 0.000 2.904 4315 T HA 0.016 4.357 4.350 -0.014 0.000 0.267 4315 T C 2.026 176.706 174.700 -0.033 0.000 1.059 4315 T CA 1.121 63.221 62.100 -0.001 0.000 1.137 4315 T CB -0.147 68.742 68.868 0.034 0.000 0.879 4315 T HN 0.254 nan 8.240 nan 0.000 0.467 4316 A N 2.273 125.068 122.820 -0.042 0.000 1.877 4316 A HA -0.106 4.206 4.320 -0.014 0.000 0.216 4316 A C 2.335 179.972 177.584 0.089 0.000 1.186 4316 A CA 1.115 53.177 52.037 0.042 0.000 0.620 4316 A CB -0.316 18.748 19.000 0.107 0.000 0.822 4316 A HN 0.203 nan 8.150 nan 0.000 0.443 4317 K N -0.183 120.258 120.400 0.068 0.000 2.063 4317 K HA -0.197 4.115 4.320 -0.014 0.000 0.208 4317 K C 1.933 178.571 176.600 0.063 0.000 1.048 4317 K CA 1.616 57.943 56.287 0.067 0.000 0.928 4317 K CB -0.430 32.093 32.500 0.037 0.000 0.713 4317 K HN 0.786 nan 8.250 nan 0.000 0.442 4318 E N 0.719 120.951 120.200 0.054 0.000 2.077 4318 E HA -0.160 4.181 4.350 -0.014 0.000 0.193 4318 E C 2.062 178.706 176.600 0.073 0.000 0.989 4318 E CA 0.984 57.427 56.400 0.072 0.000 0.800 4318 E CB -0.012 29.748 29.700 0.101 0.000 0.746 4318 E HN 0.249 nan 8.360 nan 0.000 0.452 4319 I N 0.807 121.397 120.570 0.034 0.000 2.233 4319 I HA -0.203 3.959 4.170 -0.014 0.000 0.243 4319 I C 2.699 178.847 176.117 0.052 0.000 1.093 4319 I CA 1.118 62.431 61.300 0.023 0.000 1.380 4319 I CB -0.388 37.566 38.000 -0.077 0.000 1.067 4319 I HN 0.216 nan 8.210 nan 0.000 0.413 4320 E N 1.831 122.074 120.200 0.071 0.000 2.058 4320 E HA -0.313 4.029 4.350 -0.014 0.000 0.194 4320 E C 2.261 178.902 176.600 0.068 0.000 0.997 4320 E CA 1.555 58.005 56.400 0.085 0.000 0.801 4320 E CB -0.030 29.765 29.700 0.159 0.000 0.746 4320 E HN 0.282 nan 8.360 nan 0.000 0.450 4321 K N 0.609 121.049 120.400 0.068 0.000 2.044 4321 K HA -0.222 4.089 4.320 -0.014 0.000 0.210 4321 K C 2.184 178.815 176.600 0.052 0.000 1.049 4321 K CA 1.760 58.080 56.287 0.056 0.000 0.927 4321 K CB -0.036 32.496 32.500 0.053 0.000 0.713 4321 K HN 0.011 nan 8.250 nan 0.000 0.443 4322 K N 0.048 120.485 120.400 0.060 0.000 2.097 4322 K HA -0.092 4.219 4.320 -0.014 0.000 0.206 4322 K C 1.992 178.622 176.600 0.051 0.000 1.049 4322 K CA 1.102 57.425 56.287 0.061 0.000 0.933 4322 K CB 0.049 32.598 32.500 0.082 0.000 0.717 4322 K HN -0.024 nan 8.250 nan 0.000 0.442 4323 V N 1.153 121.094 119.914 0.046 0.000 2.343 4323 V HA -0.249 3.862 4.120 -0.014 0.000 0.247 4323 V C 2.150 178.259 176.094 0.024 0.000 1.051 4323 V CA 1.679 63.997 62.300 0.031 0.000 1.036 4323 V CB -0.423 31.409 31.823 0.016 0.000 0.654 4323 V HN 0.278 nan 8.190 nan 0.000 0.451 4324 R N -0.116 120.400 120.500 0.027 0.000 2.081 4324 R HA -0.181 4.150 4.340 -0.014 0.000 0.235 4324 R C 2.320 178.635 176.300 0.025 0.000 1.131 4324 R CA 1.789 57.904 56.100 0.025 0.000 0.960 4324 R CB -0.324 29.995 30.300 0.031 0.000 0.856 4324 R HN 0.624 nan 8.270 nan 0.000 0.436 4325 E N 0.621 120.838 120.200 0.029 0.000 2.077 4325 E HA -0.172 4.169 4.350 -0.014 0.000 0.193 4325 E C 2.026 178.642 176.600 0.027 0.000 0.989 4325 E CA 0.967 57.384 56.400 0.028 0.000 0.800 4325 E CB -0.071 29.648 29.700 0.032 0.000 0.746 4325 E HN 0.289 nan 8.360 nan 0.000 0.452 4326 L N 0.143 121.384 121.223 0.029 0.000 2.217 4326 L HA -0.107 4.225 4.340 -0.014 0.000 0.211 4326 L C 1.923 178.808 176.870 0.024 0.000 1.107 4326 L CA 0.811 55.668 54.840 0.028 0.000 0.783 4326 L CB 0.124 42.203 42.059 0.033 0.000 0.919 4326 L HN 0.161 nan 8.230 nan 0.000 0.442 4327 L N -1.780 119.456 121.223 0.021 0.000 3.039 4327 L HA 0.215 4.546 4.340 -0.014 0.000 0.269 4327 L C 0.628 177.507 176.870 0.015 0.000 1.169 4327 L CA -0.293 54.557 54.840 0.018 0.000 0.986 4327 L CB 0.671 42.738 42.059 0.014 0.000 1.377 4327 L HN 0.065 nan 8.230 nan 0.000 0.575 4328 L N 0.000 121.232 121.223 0.015 0.000 2.949 4328 L HA 0.000 4.331 4.340 -0.014 0.000 0.249 4328 L CA 0.000 54.848 54.840 0.014 0.000 0.813 4328 L CB 0.000 42.067 42.059 0.013 0.000 0.961 4328 L HN 0.000 nan 8.230 nan 0.000 0.502