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 3cmw_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 AALTPKAEIE XXXXXXXMGL AARMMSQAMR KLAGNLKQSN DATA SEQUENCE TLLIFINQIR XXXXXXXXNP ETTTGGNALK FYASVRLDIR RIGAVKEGEN DATA SEQUENCE VVGSETRVKV VKNKIAAPFK QAEFQILYGE GINFYGELVD LGVKEKLIEK DATA SEQUENCE AGAWYSYKGE KIGQGKANAT AWLKDNPETA KEIEKKVREL LL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.097 176.094 0.004 0.000 1.182 37 V CA 0.000 62.303 62.300 0.006 0.000 1.235 37 V CB 0.000 31.826 31.823 0.006 0.000 1.184 38 E N 2.619 122.821 120.200 0.004 0.000 2.212 38 E HA 0.803 5.144 4.350 -0.016 0.000 0.268 38 E C -0.614 175.986 176.600 -0.000 0.000 0.902 38 E CA -0.280 56.121 56.400 0.001 0.000 0.779 38 E CB 2.354 32.055 29.700 0.000 0.000 1.172 38 E HN 0.873 nan 8.360 nan 0.000 0.409 39 T N 0.979 115.532 114.554 -0.002 0.000 2.930 39 T HA 0.610 4.950 4.350 -0.016 0.000 0.290 39 T C -0.348 174.347 174.700 -0.008 0.000 1.052 39 T CA -0.865 61.233 62.100 -0.004 0.000 1.017 39 T CB 1.105 69.972 68.868 -0.002 0.000 1.137 39 T HN 0.255 nan 8.240 nan 0.000 0.511 40 I N 1.772 122.336 120.570 -0.011 0.000 2.569 40 I HA 0.449 4.610 4.170 -0.016 0.000 0.296 40 I C 0.754 176.860 176.117 -0.019 0.000 1.028 40 I CA -0.737 60.553 61.300 -0.017 0.000 1.082 40 I CB 1.856 39.845 38.000 -0.019 0.000 1.264 40 I HN 0.963 nan 8.210 nan 0.000 0.429 41 S N 2.682 118.367 115.700 -0.026 0.000 2.568 41 S HA 0.079 4.539 4.470 -0.016 0.000 0.282 41 S C 1.314 175.893 174.600 -0.035 0.000 1.338 41 S CA 0.375 58.558 58.200 -0.028 0.000 1.045 41 S CB 0.444 63.620 63.200 -0.041 0.000 0.873 41 S HN 0.795 nan 8.310 nan 0.000 0.516 42 T N 1.025 115.558 114.554 -0.034 0.000 3.081 42 T HA 0.364 4.705 4.350 -0.016 0.000 0.250 42 T C 1.482 176.136 174.700 -0.077 0.000 1.100 42 T CA 0.667 62.740 62.100 -0.044 0.000 1.038 42 T CB -0.298 68.548 68.868 -0.037 0.000 0.962 42 T HN 1.609 nan 8.240 nan 0.000 0.516 43 G N 0.829 109.580 108.800 -0.081 0.000 2.241 43 G HA2 -0.243 3.707 3.960 -0.016 0.000 0.244 43 G HA3 -0.243 3.707 3.960 -0.016 0.000 0.244 43 G C 0.223 175.076 174.900 -0.077 0.000 0.998 43 G CA 0.214 45.249 45.100 -0.107 0.000 0.621 43 G HN 1.092 nan 8.290 nan 0.000 0.519 44 S N -0.096 115.512 115.700 -0.154 0.000 2.449 44 S HA 0.632 5.093 4.470 -0.016 0.000 0.310 44 S C 1.180 175.728 174.600 -0.086 0.000 1.096 44 S CA 0.082 58.132 58.200 -0.250 0.000 1.095 44 S CB 1.545 64.352 63.200 -0.654 0.000 1.007 44 S HN 1.029 nan 8.310 nan 0.000 0.474 45 L N 5.764 126.933 121.223 -0.091 0.000 2.056 45 L HA 0.042 4.373 4.340 -0.016 0.000 0.207 45 L C 2.525 179.365 176.870 -0.049 0.000 1.078 45 L CA 2.678 57.472 54.840 -0.076 0.000 0.749 45 L CB -0.996 40.914 42.059 -0.247 0.000 0.901 45 L HN 0.898 nan 8.230 nan 0.000 0.433 46 S N -1.177 114.500 115.700 -0.038 0.000 2.402 46 S HA -0.168 4.292 4.470 -0.016 0.000 0.229 46 S C 2.097 176.733 174.600 0.059 0.000 1.021 46 S CA 1.194 59.411 58.200 0.028 0.000 0.974 46 S CB -0.926 62.321 63.200 0.079 0.000 0.800 46 S HN 0.497 nan 8.310 nan 0.000 0.484 47 L N 1.444 122.705 121.223 0.063 0.000 2.027 47 L HA -0.113 4.217 4.340 -0.016 0.000 0.206 47 L C 2.007 178.894 176.870 0.030 0.000 1.074 47 L CA 2.019 56.901 54.840 0.070 0.000 0.745 47 L CB -0.678 41.419 42.059 0.064 0.000 0.898 47 L HN 0.241 nan 8.230 nan 0.000 0.433 48 D N 0.129 120.534 120.400 0.009 0.000 2.158 48 D HA -0.217 4.413 4.640 -0.016 0.000 0.197 48 D C 2.122 178.429 176.300 0.012 0.000 0.995 48 D CA 1.392 55.397 54.000 0.008 0.000 0.846 48 D CB -0.105 40.701 40.800 0.010 0.000 0.941 48 D HN 0.379 nan 8.370 nan 0.000 0.456 49 I N 0.747 121.325 120.570 0.014 0.000 2.286 49 I HA -0.195 3.965 4.170 -0.016 0.000 0.245 49 I C 2.434 178.563 176.117 0.020 0.000 1.104 49 I CA 0.887 62.196 61.300 0.016 0.000 1.397 49 I CB -0.164 37.844 38.000 0.014 0.000 1.072 49 I HN -0.081 nan 8.210 nan 0.000 0.417 50 A N 0.757 123.594 122.820 0.028 0.000 1.940 50 A HA -0.164 4.146 4.320 -0.016 0.000 0.219 50 A C 2.221 179.814 177.584 0.015 0.000 1.176 50 A CA 1.432 53.486 52.037 0.029 0.000 0.631 50 A CB -0.912 18.114 19.000 0.043 0.000 0.814 50 A HN 0.415 nan 8.150 nan 0.000 0.446 51 L N -1.360 119.870 121.223 0.011 0.000 2.549 51 L HA 0.036 4.366 4.340 -0.016 0.000 0.229 51 L C 2.146 179.014 176.870 -0.003 0.000 1.158 51 L CA 0.639 55.478 54.840 -0.001 0.000 0.842 51 L CB -0.391 41.669 42.059 0.001 0.000 0.952 51 L HN 0.640 nan 8.230 nan 0.000 0.452 52 G N -0.206 108.596 108.800 0.004 0.000 2.609 52 G HA2 -0.440 3.510 3.960 -0.016 0.000 0.235 52 G HA3 -0.440 3.510 3.960 -0.016 0.000 0.235 52 G C 1.073 175.976 174.900 0.005 0.000 1.177 52 G CA 0.537 45.639 45.100 0.004 0.000 0.707 52 G HN 0.471 nan 8.290 nan 0.000 0.513 53 A N 0.254 123.075 122.820 0.002 0.000 2.275 53 A HA 0.579 4.890 4.320 -0.016 0.000 0.212 53 A C 2.503 180.090 177.584 0.004 0.000 1.201 53 A CA 1.860 53.899 52.037 0.003 0.000 0.843 53 A CB -0.390 18.611 19.000 0.001 0.000 0.873 53 A HN 2.591 nan 8.150 nan 0.000 0.492 54 G N -2.896 105.907 108.800 0.005 0.000 2.176 54 G HA2 0.296 4.247 3.960 -0.016 0.000 0.232 54 G HA3 0.296 4.247 3.960 -0.016 0.000 0.232 54 G C 0.886 175.788 174.900 0.004 0.000 0.986 54 G CA 0.325 45.429 45.100 0.007 0.000 0.643 54 G HN 2.127 nan 8.290 nan 0.000 0.522 55 G N -1.401 107.400 108.800 0.001 0.000 2.333 55 G HA2 0.510 4.461 3.960 -0.016 0.000 0.288 55 G HA3 0.510 4.461 3.960 -0.016 0.000 0.288 55 G C -0.884 174.015 174.900 -0.002 0.000 1.286 55 G CA -0.459 44.639 45.100 -0.002 0.000 0.865 55 G HN 0.868 nan 8.290 nan 0.000 0.506 56 L N 2.047 123.268 121.223 -0.003 0.000 2.371 56 L HA 0.438 4.768 4.340 -0.016 0.000 0.272 56 L C -1.829 175.040 176.870 -0.001 0.000 1.124 56 L CA -1.673 53.167 54.840 -0.001 0.000 0.816 56 L CB 1.524 43.582 42.059 -0.001 0.000 1.129 56 L HN 0.307 nan 8.230 nan 0.000 0.448 57 P HA 0.166 nan 4.420 nan 0.000 0.286 57 P C -0.732 176.571 177.300 0.005 0.000 1.269 57 P CA -0.555 62.547 63.100 0.005 0.000 0.787 57 P CB 0.966 32.672 31.700 0.009 0.000 0.920 58 M N 1.969 121.570 119.600 0.002 0.000 2.248 58 M HA 0.206 4.677 4.480 -0.016 0.000 0.337 58 M C 1.594 177.898 176.300 0.007 0.000 1.121 58 M CA 0.858 56.158 55.300 0.000 0.000 1.155 58 M CB -0.789 31.810 32.600 -0.002 0.000 1.514 58 M HN 0.834 nan 8.290 nan 0.000 0.452 59 G N 2.395 111.199 108.800 0.006 0.000 2.143 59 G HA2 -0.208 3.743 3.960 -0.016 0.000 0.248 59 G HA3 -0.208 3.743 3.960 -0.016 0.000 0.248 59 G C 0.162 175.079 174.900 0.028 0.000 0.991 59 G CA -0.008 45.100 45.100 0.014 0.000 0.689 59 G HN 0.554 nan 8.290 nan 0.000 0.522 60 R N -0.979 119.538 120.500 0.028 0.000 2.930 60 R HA 0.762 5.092 4.340 -0.016 0.000 0.257 60 R C 0.076 176.411 176.300 0.058 0.000 1.107 60 R CA -1.119 55.012 56.100 0.050 0.000 0.999 60 R CB 0.844 31.171 30.300 0.045 0.000 1.209 60 R HN 0.200 nan 8.270 nan 0.000 0.486 61 I N 0.738 121.368 120.570 0.100 0.000 2.392 61 I HA 0.393 4.553 4.170 -0.016 0.000 0.295 61 I C -0.274 175.919 176.117 0.128 0.000 0.985 61 I CA -0.906 60.476 61.300 0.136 0.000 1.221 61 I CB 1.845 39.985 38.000 0.233 0.000 1.366 61 I HN -0.038 nan 8.210 nan 0.000 0.467 62 V N 5.297 125.283 119.914 0.122 0.000 2.656 62 V HA 0.376 4.486 4.120 -0.016 0.000 0.307 62 V C -0.439 175.752 176.094 0.162 0.000 1.051 62 V CA -0.646 61.717 62.300 0.106 0.000 0.893 62 V CB 2.122 33.976 31.823 0.051 0.000 0.999 62 V HN 0.729 nan 8.190 nan 0.000 0.426 63 E N 3.744 124.038 120.200 0.158 0.000 2.199 63 E HA 0.670 5.010 4.350 -0.016 0.000 0.269 63 E C -1.595 175.098 176.600 0.155 0.000 0.899 63 E CA -0.624 55.891 56.400 0.193 0.000 0.772 63 E CB 1.779 31.598 29.700 0.198 0.000 1.155 63 E HN 0.621 nan 8.360 nan 0.000 0.408 64 I N 5.131 125.791 120.570 0.150 0.000 2.436 64 I HA 0.354 4.515 4.170 -0.016 0.000 0.289 64 I C -1.006 175.204 176.117 0.155 0.000 1.010 64 I CA -0.971 60.381 61.300 0.086 0.000 1.098 64 I CB 0.990 39.028 38.000 0.063 0.000 1.266 64 I HN 0.490 nan 8.210 nan 0.000 0.434 65 Y N 3.910 124.244 120.300 0.056 0.000 2.581 65 Y HA 0.997 5.538 4.550 -0.016 0.000 0.345 65 Y C -0.262 175.685 175.900 0.079 0.000 1.036 65 Y CA -1.111 57.018 58.100 0.048 0.000 1.042 65 Y CB 1.985 40.457 38.460 0.020 0.000 1.289 65 Y HN 0.699 nan 8.280 nan 0.000 0.471 66 G N 0.765 109.746 108.800 0.300 0.000 2.316 66 G HA2 0.451 4.401 3.960 -0.016 0.000 0.296 66 G HA3 0.451 4.401 3.960 -0.016 0.000 0.296 66 G C -3.548 171.578 174.900 0.377 0.000 1.399 66 G CA -1.319 43.929 45.100 0.248 0.000 0.833 66 G HN 0.501 nan 8.290 nan 0.000 0.565 67 P HA 0.286 nan 4.420 nan 0.000 0.272 67 P C -0.275 177.071 177.300 0.076 0.000 1.254 67 P CA -0.256 62.992 63.100 0.246 0.000 0.795 67 P CB 0.243 31.988 31.700 0.075 0.000 1.022 68 E N -0.631 119.208 120.200 -0.601 0.000 2.413 68 E HA 0.197 4.537 4.350 -0.016 0.000 0.263 68 E C 0.111 176.619 176.600 -0.154 0.000 1.015 68 E CA -0.124 55.929 56.400 -0.578 0.000 0.916 68 E CB -0.606 28.578 29.700 -0.859 0.000 0.947 68 E HN 0.270 nan 8.360 nan 0.000 0.440 69 S N 0.627 116.303 115.700 -0.040 0.000 3.587 69 S HA -0.224 4.237 4.470 -0.016 0.000 0.337 69 S C 0.964 175.604 174.600 0.067 0.000 1.119 69 S CA 0.977 59.181 58.200 0.006 0.000 0.976 69 S CB -1.784 61.392 63.200 -0.040 0.000 0.922 69 S HN 0.730 nan 8.310 nan 0.000 0.503 70 S N -0.221 115.532 115.700 0.088 0.000 2.527 70 S HA 0.430 4.891 4.470 -0.016 0.000 0.222 70 S C 1.517 176.190 174.600 0.121 0.000 0.985 70 S CA 0.783 59.042 58.200 0.098 0.000 0.921 70 S CB 0.484 63.741 63.200 0.094 0.000 0.772 70 S HN 1.983 nan 8.310 nan 0.000 0.529 71 G N 1.242 110.128 108.800 0.143 0.000 2.145 71 G HA2 -0.176 3.774 3.960 -0.016 0.000 0.145 71 G HA3 -0.176 3.774 3.960 -0.016 0.000 0.145 71 G C 0.584 175.587 174.900 0.173 0.000 1.017 71 G CA 0.098 45.305 45.100 0.178 0.000 0.682 71 G HN 0.435 nan 8.290 nan 0.000 0.504 72 K N -0.195 120.297 120.400 0.154 0.000 2.002 72 K HA -0.051 4.260 4.320 -0.016 0.000 0.209 72 K C 2.560 179.254 176.600 0.156 0.000 1.048 72 K CA 1.910 58.283 56.287 0.144 0.000 0.930 72 K CB -0.359 32.224 32.500 0.138 0.000 0.714 72 K HN 0.272 nan 8.250 nan 0.000 0.438 73 T N 0.937 115.595 114.554 0.174 0.000 2.708 73 T HA -0.142 4.199 4.350 -0.016 0.000 0.266 73 T C 2.003 176.823 174.700 0.200 0.000 1.037 73 T CA 1.876 64.105 62.100 0.216 0.000 1.146 73 T CB -0.477 68.519 68.868 0.214 0.000 0.865 73 T HN 0.277 nan 8.240 nan 0.000 0.435 74 T N 2.680 117.354 114.554 0.199 0.000 2.624 74 T HA -0.112 4.229 4.350 -0.016 0.000 0.268 74 T C 1.871 176.654 174.700 0.137 0.000 1.041 74 T CA 1.127 63.345 62.100 0.197 0.000 1.159 74 T CB -0.633 68.386 68.868 0.251 0.000 0.863 74 T HN 0.196 nan 8.240 nan 0.000 0.434 75 L N 0.373 121.683 121.223 0.144 0.000 1.990 75 L HA -0.209 4.121 4.340 -0.016 0.000 0.213 75 L C 2.706 179.620 176.870 0.074 0.000 1.072 75 L CA 1.854 56.755 54.840 0.101 0.000 0.755 75 L CB -0.918 41.218 42.059 0.129 0.000 0.889 75 L HN 0.330 nan 8.230 nan 0.000 0.432 76 T N 0.451 115.069 114.554 0.107 0.000 2.665 76 T HA -0.246 4.095 4.350 -0.016 0.000 0.268 76 T C 1.889 176.660 174.700 0.120 0.000 1.035 76 T CA 1.770 63.939 62.100 0.116 0.000 1.151 76 T CB -0.260 68.708 68.868 0.167 0.000 0.862 76 T HN 0.282 nan 8.240 nan 0.000 0.438 77 L N 0.690 121.984 121.223 0.119 0.000 2.141 77 L HA -0.084 4.247 4.340 -0.016 0.000 0.209 77 L C 2.963 179.832 176.870 -0.002 0.000 1.094 77 L CA 0.935 55.806 54.840 0.052 0.000 0.763 77 L CB -0.491 41.568 42.059 -0.001 0.000 0.908 77 L HN 0.232 nan 8.230 nan 0.000 0.437 78 Q N -0.384 119.412 119.800 -0.008 0.000 2.119 78 Q HA -0.173 4.157 4.340 -0.016 0.000 0.201 78 Q C 2.446 178.415 176.000 -0.052 0.000 0.972 78 Q CA 1.824 57.598 55.803 -0.049 0.000 0.847 78 Q CB -0.558 28.144 28.738 -0.060 0.000 0.903 78 Q HN 0.547 nan 8.270 nan 0.000 0.433 79 V N -0.217 119.683 119.914 -0.024 0.000 2.358 79 V HA -0.198 3.912 4.120 -0.016 0.000 0.246 79 V C 2.089 178.170 176.094 -0.022 0.000 1.047 79 V CA 1.163 63.447 62.300 -0.026 0.000 1.035 79 V CB -0.471 31.344 31.823 -0.014 0.000 0.658 79 V HN 0.222 nan 8.190 nan 0.000 0.452 80 I N 1.090 121.660 120.570 0.000 0.000 2.163 80 I HA -0.217 3.944 4.170 -0.016 0.000 0.243 80 I C 2.952 179.052 176.117 -0.028 0.000 1.085 80 I CA 1.887 63.188 61.300 0.002 0.000 1.347 80 I CB -0.782 37.242 38.000 0.040 0.000 1.044 80 I HN 0.441 nan 8.210 nan 0.000 0.408 81 A N 0.674 123.466 122.820 -0.047 0.000 1.883 81 A HA -0.231 4.080 4.320 -0.016 0.000 0.217 81 A C 2.537 180.073 177.584 -0.080 0.000 1.186 81 A CA 2.111 54.106 52.037 -0.070 0.000 0.624 81 A CB -0.985 17.961 19.000 -0.090 0.000 0.822 81 A HN 0.458 nan 8.150 nan 0.000 0.444 82 A N -0.308 122.459 122.820 -0.089 0.000 1.902 82 A HA 0.145 4.455 4.320 -0.016 0.000 0.217 82 A C 2.506 180.046 177.584 -0.073 0.000 1.181 82 A CA 2.198 54.175 52.037 -0.101 0.000 0.623 82 A CB -0.997 17.938 19.000 -0.108 0.000 0.818 82 A HN 1.086 nan 8.150 nan 0.000 0.443 83 A N -0.760 122.027 122.820 -0.054 0.000 1.873 83 A HA -0.200 4.111 4.320 -0.016 0.000 0.215 83 A C 2.129 179.690 177.584 -0.039 0.000 1.186 83 A CA 1.606 53.618 52.037 -0.040 0.000 0.616 83 A CB -0.580 18.402 19.000 -0.029 0.000 0.823 83 A HN 0.643 nan 8.150 nan 0.000 0.442 84 Q N -1.185 118.591 119.800 -0.040 0.000 2.124 84 Q HA -0.177 4.153 4.340 -0.016 0.000 0.202 84 Q C 2.284 178.258 176.000 -0.043 0.000 0.977 84 Q CA 1.508 57.289 55.803 -0.037 0.000 0.850 84 Q CB -0.158 28.557 28.738 -0.038 0.000 0.901 84 Q HN 0.563 nan 8.270 nan 0.000 0.429 85 R N 1.106 121.573 120.500 -0.056 0.000 2.200 85 R HA -0.130 4.200 4.340 -0.016 0.000 0.234 85 R C 0.807 177.076 176.300 -0.052 0.000 1.127 85 R CA 1.139 57.202 56.100 -0.061 0.000 0.989 85 R CB 0.189 30.439 30.300 -0.084 0.000 0.869 85 R HN 0.269 nan 8.270 nan 0.000 0.459 86 E N -1.636 118.536 120.200 -0.046 0.000 2.451 86 E HA 0.172 4.512 4.350 -0.016 0.000 0.194 86 E C 0.412 176.994 176.600 -0.029 0.000 1.027 86 E CA 0.338 56.716 56.400 -0.037 0.000 0.914 86 E CB 0.948 30.626 29.700 -0.037 0.000 1.054 86 E HN 0.478 nan 8.360 nan 0.000 0.461 87 G N 2.207 110.989 108.800 -0.029 0.000 2.143 87 G HA2 -0.309 3.641 3.960 -0.016 0.000 0.249 87 G HA3 -0.309 3.641 3.960 -0.016 0.000 0.249 87 G C 0.194 175.083 174.900 -0.020 0.000 0.981 87 G CA 0.145 45.232 45.100 -0.023 0.000 0.665 87 G HN 0.162 nan 8.290 nan 0.000 0.528 88 K N 0.356 120.743 120.400 -0.021 0.000 2.126 88 K HA 0.514 4.825 4.320 -0.016 0.000 0.257 88 K C 0.069 176.659 176.600 -0.016 0.000 1.007 88 K CA 0.026 56.302 56.287 -0.018 0.000 0.928 88 K CB 0.698 33.186 32.500 -0.020 0.000 1.013 88 K HN 0.099 nan 8.250 nan 0.000 0.473 89 T N 1.337 115.883 114.554 -0.013 0.000 2.794 89 T HA 0.329 4.669 4.350 -0.016 0.000 0.280 89 T C -0.487 174.208 174.700 -0.008 0.000 0.987 89 T CA -0.542 61.552 62.100 -0.009 0.000 0.993 89 T CB 0.439 69.303 68.868 -0.007 0.000 0.939 89 T HN 0.533 nan 8.240 nan 0.000 0.449 90 C N 2.364 121.663 119.300 -0.001 0.000 2.707 90 C HA 0.975 5.425 4.460 -0.016 0.000 0.313 90 C C 0.262 175.264 174.990 0.021 0.000 1.209 90 C CA -0.896 58.126 59.018 0.007 0.000 1.635 90 C CB 0.997 28.748 27.740 0.018 0.000 2.206 90 C HN 1.039 nan 8.230 nan 0.000 0.485 91 A N 1.216 124.048 122.820 0.020 0.000 2.435 91 A HA 0.871 5.181 4.320 -0.016 0.000 0.304 91 A C -1.482 176.141 177.584 0.066 0.000 1.064 91 A CA -0.264 51.793 52.037 0.034 0.000 0.727 91 A CB 1.045 20.040 19.000 -0.009 0.000 1.284 91 A HN 0.825 nan 8.150 nan 0.000 0.415 92 F N 3.204 123.118 119.950 -0.060 0.000 2.499 92 F HA 0.558 5.076 4.527 -0.016 0.000 0.333 92 F C -0.764 174.992 175.800 -0.074 0.000 1.138 92 F CA -0.831 57.131 58.000 -0.064 0.000 0.945 92 F CB 1.331 40.302 39.000 -0.048 0.000 1.181 92 F HN 0.373 nan 8.300 nan 0.000 0.435 93 I N 4.868 125.239 120.570 -0.332 0.000 2.282 93 I HA 0.116 4.277 4.170 -0.016 0.000 0.290 93 I C -0.105 175.890 176.117 -0.203 0.000 1.090 93 I CA -0.341 60.839 61.300 -0.200 0.000 1.231 93 I CB 0.443 38.316 38.000 -0.213 0.000 1.434 93 I HN 0.509 nan 8.210 nan 0.000 0.487 94 D N 5.352 125.772 120.400 0.033 0.000 2.619 94 D HA 0.325 4.955 4.640 -0.016 0.000 0.224 94 D C 1.259 177.494 176.300 -0.108 0.000 1.133 94 D CA -0.041 54.021 54.000 0.103 0.000 1.017 94 D CB 0.781 41.697 40.800 0.193 0.000 1.077 94 D HN 0.590 nan 8.370 nan 0.000 0.503 95 A N 2.399 125.186 122.820 -0.055 0.000 2.014 95 A HA -0.104 4.206 4.320 -0.016 0.000 0.218 95 A C 1.917 179.626 177.584 0.209 0.000 1.163 95 A CA 0.754 52.806 52.037 0.025 0.000 0.652 95 A CB -0.204 18.823 19.000 0.044 0.000 0.808 95 A HN 0.516 nan 8.150 nan 0.000 0.449 96 E N -1.048 119.240 120.200 0.146 0.000 2.427 96 E HA -0.072 4.268 4.350 -0.016 0.000 0.196 96 E C -0.542 176.243 176.600 0.309 0.000 1.028 96 E CA 0.008 56.523 56.400 0.192 0.000 0.864 96 E CB -0.154 29.575 29.700 0.048 0.000 0.813 96 E HN 0.693 nan 8.360 nan 0.000 0.514 97 H N -1.922 117.216 119.070 0.113 0.000 2.692 97 H HA -0.207 4.340 4.556 -0.016 0.000 0.316 97 H C -0.087 175.295 175.328 0.089 0.000 1.176 97 H CA 0.531 56.640 56.048 0.100 0.000 1.142 97 H CB -1.296 28.523 29.762 0.095 0.000 1.475 97 H HN 0.237 nan 8.280 nan 0.000 0.423 98 A N 0.616 123.524 122.820 0.147 0.000 2.622 98 A HA 0.247 4.558 4.320 -0.016 0.000 0.283 98 A C 0.226 177.842 177.584 0.053 0.000 0.998 98 A CA -0.455 51.642 52.037 0.100 0.000 0.985 98 A CB 0.669 19.727 19.000 0.096 0.000 1.236 98 A HN 0.145 nan 8.150 nan 0.000 0.559 99 L N 1.243 122.486 121.223 0.033 0.000 2.360 99 L HA 0.459 4.789 4.340 -0.016 0.000 0.276 99 L C -0.527 176.316 176.870 -0.044 0.000 1.121 99 L CA 0.117 54.925 54.840 -0.053 0.000 0.845 99 L CB 0.682 42.632 42.059 -0.182 0.000 1.143 99 L HN 0.225 nan 8.230 nan 0.000 0.452 100 D N 7.358 127.741 120.400 -0.027 0.000 2.428 100 D HA 0.299 4.930 4.640 -0.016 0.000 0.221 100 D C -1.785 174.520 176.300 0.009 0.000 1.123 100 D CA -2.229 51.775 54.000 0.006 0.000 0.869 100 D CB 1.461 42.277 40.800 0.027 0.000 1.032 100 D HN 0.351 nan 8.370 nan 0.000 0.506 101 P HA -0.162 nan 4.420 nan 0.000 0.215 101 P C 1.689 178.980 177.300 -0.016 0.000 1.153 101 P CA 0.620 63.695 63.100 -0.042 0.000 0.853 101 P CB 0.536 32.214 31.700 -0.036 0.000 0.788 102 I N -1.553 119.026 120.570 0.016 0.000 2.208 102 I HA -0.252 3.908 4.170 -0.016 0.000 0.245 102 I C 2.682 178.832 176.117 0.056 0.000 1.097 102 I CA 1.470 62.786 61.300 0.028 0.000 1.363 102 I CB -1.192 36.831 38.000 0.038 0.000 1.051 102 I HN -0.143 nan 8.210 nan 0.000 0.413 103 Y N 1.107 121.383 120.300 -0.041 0.000 2.181 103 Y HA -0.239 4.301 4.550 -0.016 0.000 0.288 103 Y C 2.468 178.341 175.900 -0.044 0.000 1.146 103 Y CA 1.308 59.388 58.100 -0.034 0.000 1.164 103 Y CB -0.625 37.815 38.460 -0.034 0.000 0.982 103 Y HN 0.146 nan 8.280 nan 0.000 0.515 104 A N 0.524 123.308 122.820 -0.061 0.000 1.917 104 A HA -0.246 4.064 4.320 -0.016 0.000 0.219 104 A C 2.434 179.915 177.584 -0.173 0.000 1.182 104 A CA 1.899 53.844 52.037 -0.154 0.000 0.633 104 A CB -0.780 18.131 19.000 -0.149 0.000 0.819 104 A HN 0.478 nan 8.150 nan 0.000 0.448 105 R N -0.158 120.268 120.500 -0.124 0.000 2.081 105 R HA -0.128 4.202 4.340 -0.016 0.000 0.235 105 R C 2.078 178.299 176.300 -0.133 0.000 1.131 105 R CA 1.794 57.831 56.100 -0.105 0.000 0.960 105 R CB -0.280 29.982 30.300 -0.065 0.000 0.856 105 R HN 0.561 nan 8.270 nan 0.000 0.436 106 K N 0.304 120.601 120.400 -0.172 0.000 2.152 106 K HA -0.103 4.208 4.320 -0.016 0.000 0.206 106 K C 1.810 178.270 176.600 -0.234 0.000 1.048 106 K CA 1.047 57.221 56.287 -0.187 0.000 0.933 106 K CB -0.082 32.299 32.500 -0.199 0.000 0.721 106 K HN 0.243 nan 8.250 nan 0.000 0.447 107 L N -0.038 120.988 121.223 -0.328 0.000 2.650 107 L HA 0.071 4.401 4.340 -0.016 0.000 0.235 107 L C 1.010 177.782 176.870 -0.162 0.000 1.149 107 L CA 0.356 55.041 54.840 -0.258 0.000 0.887 107 L CB -0.295 41.586 42.059 -0.296 0.000 1.021 107 L HN 0.425 nan 8.230 nan 0.000 0.441 108 G N -0.044 108.672 108.800 -0.140 0.000 2.141 108 G HA2 -0.240 3.711 3.960 -0.016 0.000 0.242 108 G HA3 -0.240 3.711 3.960 -0.016 0.000 0.242 108 G C 0.198 175.040 174.900 -0.097 0.000 0.982 108 G CA -0.042 44.993 45.100 -0.107 0.000 0.662 108 G HN 0.115 nan 8.290 nan 0.000 0.527 109 V N 1.055 120.907 119.914 -0.103 0.000 2.614 109 V HA 0.337 4.447 4.120 -0.016 0.000 0.291 109 V C 0.756 176.807 176.094 -0.072 0.000 1.049 109 V CA 0.023 62.272 62.300 -0.086 0.000 1.038 109 V CB 1.656 33.422 31.823 -0.096 0.000 0.980 109 V HN 0.350 nan 8.190 nan 0.000 0.481 110 D N 4.401 124.767 120.400 -0.057 0.000 2.455 110 D HA 0.089 4.719 4.640 -0.016 0.000 0.234 110 D C 1.094 177.367 176.300 -0.044 0.000 1.224 110 D CA -0.270 53.702 54.000 -0.047 0.000 0.999 110 D CB 0.350 41.127 40.800 -0.038 0.000 1.072 110 D HN 0.287 nan 8.370 nan 0.000 0.514 111 I N 2.445 122.986 120.570 -0.049 0.000 2.194 111 I HA -0.255 3.905 4.170 -0.016 0.000 0.246 111 I C 1.550 177.646 176.117 -0.034 0.000 1.093 111 I CA 1.168 62.439 61.300 -0.048 0.000 1.355 111 I CB -0.563 37.408 38.000 -0.048 0.000 1.046 111 I HN 0.389 nan 8.210 nan 0.000 0.413 112 D N 0.305 120.688 120.400 -0.027 0.000 2.310 112 D HA -0.096 4.535 4.640 -0.016 0.000 0.212 112 D C 1.408 177.699 176.300 -0.015 0.000 0.965 112 D CA 0.726 54.715 54.000 -0.019 0.000 0.879 112 D CB -0.114 40.675 40.800 -0.018 0.000 0.921 112 D HN 0.403 nan 8.370 nan 0.000 0.510 113 N N -0.036 118.654 118.700 -0.017 0.000 2.171 113 N HA 0.044 4.775 4.740 -0.016 0.000 0.212 113 N C 0.106 175.611 175.510 -0.008 0.000 1.184 113 N CA -0.180 52.863 53.050 -0.012 0.000 0.888 113 N CB 1.491 39.970 38.487 -0.014 0.000 1.038 113 N HN 0.168 nan 8.380 nan 0.000 0.517 114 L N 2.652 123.868 121.223 -0.011 0.000 2.325 114 L HA 0.299 4.629 4.340 -0.016 0.000 0.284 114 L C -0.254 176.623 176.870 0.013 0.000 1.089 114 L CA -0.158 54.682 54.840 0.001 0.000 0.836 114 L CB 0.283 42.333 42.059 -0.016 0.000 1.184 114 L HN -0.058 nan 8.230 nan 0.000 0.444 115 L N 5.289 126.526 121.223 0.024 0.000 2.455 115 L HA 0.112 4.443 4.340 -0.016 0.000 0.272 115 L C 0.068 176.970 176.870 0.054 0.000 1.174 115 L CA 0.149 55.006 54.840 0.028 0.000 0.869 115 L CB 0.921 42.992 42.059 0.021 0.000 1.130 115 L HN 0.664 nan 8.230 nan 0.000 0.474 116 C N 2.956 122.283 119.300 0.045 0.000 2.609 116 C HA 0.700 5.150 4.460 -0.016 0.000 0.313 116 C C -0.260 174.752 174.990 0.037 0.000 1.175 116 C CA -0.350 58.708 59.018 0.068 0.000 1.434 116 C CB 1.727 29.491 27.740 0.041 0.000 2.005 116 C HN 0.825 nan 8.230 nan 0.000 0.471 117 S N 3.615 119.335 115.700 0.034 0.000 2.575 117 S HA 0.553 5.013 4.470 -0.016 0.000 0.278 117 S C -1.348 173.217 174.600 -0.057 0.000 1.139 117 S CA -0.297 57.893 58.200 -0.016 0.000 0.954 117 S CB 1.406 64.581 63.200 -0.041 0.000 1.054 117 S HN 0.843 nan 8.310 nan 0.000 0.483 118 Q N 4.472 124.217 119.800 -0.092 0.000 2.560 118 Q HA 0.341 4.672 4.340 -0.016 0.000 0.238 118 Q C -2.365 173.575 176.000 -0.099 0.000 1.079 118 Q CA -1.901 53.764 55.803 -0.231 0.000 0.866 118 Q CB 1.394 29.943 28.738 -0.315 0.000 1.153 118 Q HN 0.512 nan 8.270 nan 0.000 0.530 119 P HA 0.078 nan 4.420 nan 0.000 0.274 119 P C -0.287 177.050 177.300 0.061 0.000 1.237 119 P CA -0.200 62.872 63.100 -0.047 0.000 0.793 119 P CB 1.388 33.016 31.700 -0.119 0.000 0.977 120 D N -0.642 119.777 120.400 0.031 0.000 2.162 120 D HA -0.015 4.615 4.640 -0.016 0.000 0.205 120 D C 0.998 177.322 176.300 0.041 0.000 0.964 120 D CA 1.535 55.572 54.000 0.061 0.000 0.847 120 D CB -0.060 40.772 40.800 0.052 0.000 0.988 120 D HN 0.534 nan 8.370 nan 0.000 0.480 121 T N -3.765 110.792 114.554 0.005 0.000 2.916 121 T HA 0.549 4.889 4.350 -0.016 0.000 0.292 121 T C 1.338 176.027 174.700 -0.018 0.000 1.064 121 T CA -0.390 61.709 62.100 -0.001 0.000 1.011 121 T CB 1.896 70.764 68.868 0.001 0.000 1.152 121 T HN -0.064 nan 8.240 nan 0.000 0.510 122 G N 0.349 109.143 108.800 -0.011 0.000 2.418 122 G HA2 -0.130 3.820 3.960 -0.016 0.000 0.217 122 G HA3 -0.130 3.820 3.960 -0.016 0.000 0.217 122 G C 1.073 175.959 174.900 -0.024 0.000 1.158 122 G CA 0.828 45.921 45.100 -0.012 0.000 0.771 122 G HN 0.816 nan 8.290 nan 0.000 0.545 123 E N -0.061 120.127 120.200 -0.019 0.000 2.077 123 E HA -0.125 4.215 4.350 -0.016 0.000 0.193 123 E C 2.415 178.989 176.600 -0.042 0.000 0.989 123 E CA 1.245 57.640 56.400 -0.008 0.000 0.800 123 E CB -0.234 29.478 29.700 0.020 0.000 0.746 123 E HN 0.631 nan 8.360 nan 0.000 0.452 124 Q N 0.264 120.003 119.800 -0.102 0.000 2.050 124 Q HA -0.214 4.116 4.340 -0.016 0.000 0.202 124 Q C 2.170 177.947 176.000 -0.372 0.000 0.980 124 Q CA 1.645 57.241 55.803 -0.346 0.000 0.840 124 Q CB -0.221 28.300 28.738 -0.361 0.000 0.898 124 Q HN 0.304 nan 8.270 nan 0.000 0.424 125 A N 0.784 123.482 122.820 -0.203 0.000 1.892 125 A HA -0.207 4.103 4.320 -0.016 0.000 0.218 125 A C 2.042 179.561 177.584 -0.109 0.000 1.188 125 A CA 1.675 53.624 52.037 -0.148 0.000 0.631 125 A CB -0.798 18.160 19.000 -0.069 0.000 0.822 125 A HN 0.473 nan 8.150 nan 0.000 0.447 126 L N -1.184 120.006 121.223 -0.056 0.000 2.179 126 L HA -0.071 4.259 4.340 -0.016 0.000 0.208 126 L C 2.557 179.421 176.870 -0.011 0.000 1.096 126 L CA 0.805 55.642 54.840 -0.005 0.000 0.779 126 L CB -0.418 41.657 42.059 0.026 0.000 0.922 126 L HN 0.276 nan 8.230 nan 0.000 0.443 127 E N 0.500 120.686 120.200 -0.023 0.000 2.106 127 E HA -0.155 4.186 4.350 -0.016 0.000 0.192 127 E C 2.276 178.908 176.600 0.053 0.000 0.984 127 E CA 1.164 57.599 56.400 0.059 0.000 0.806 127 E CB -0.041 29.783 29.700 0.206 0.000 0.750 127 E HN 0.501 nan 8.360 nan 0.000 0.458 128 I N 0.091 120.613 120.570 -0.080 0.000 2.252 128 I HA -0.313 3.847 4.170 -0.016 0.000 0.245 128 I C 2.507 178.609 176.117 -0.025 0.000 1.102 128 I CA 0.611 61.881 61.300 -0.049 0.000 1.385 128 I CB -0.248 37.658 38.000 -0.157 0.000 1.064 128 I HN 0.125 nan 8.210 nan 0.000 0.414 129 C N 0.482 119.751 119.300 -0.051 0.000 2.398 129 C HA -0.241 4.210 4.460 -0.016 0.000 0.276 129 C C 2.580 177.559 174.990 -0.019 0.000 1.222 129 C CA 1.419 60.405 59.018 -0.054 0.000 1.746 129 C CB -1.000 26.701 27.740 -0.066 0.000 2.039 129 C HN 0.542 nan 8.230 nan 0.000 0.470 130 D N 0.314 120.717 120.400 0.006 0.000 2.097 130 D HA -0.081 4.549 4.640 -0.016 0.000 0.195 130 D C 2.207 178.522 176.300 0.027 0.000 0.989 130 D CA 1.682 55.694 54.000 0.019 0.000 0.827 130 D CB -0.247 40.573 40.800 0.033 0.000 0.966 130 D HN 0.407 nan 8.370 nan 0.000 0.456 131 A N 0.001 122.849 122.820 0.047 0.000 1.902 131 A HA -0.114 4.197 4.320 -0.016 0.000 0.217 131 A C 2.419 180.022 177.584 0.032 0.000 1.181 131 A CA 1.082 53.151 52.037 0.054 0.000 0.623 131 A CB -0.769 18.290 19.000 0.099 0.000 0.818 131 A HN 0.342 nan 8.150 nan 0.000 0.443 132 L N -0.993 120.241 121.223 0.019 0.000 2.056 132 L HA -0.144 4.187 4.340 -0.016 0.000 0.207 132 L C 3.125 179.993 176.870 -0.003 0.000 1.078 132 L CA 0.902 55.745 54.840 0.004 0.000 0.749 132 L CB -0.621 41.430 42.059 -0.012 0.000 0.901 132 L HN 0.437 nan 8.230 nan 0.000 0.433 133 A N 0.337 123.152 122.820 -0.007 0.000 1.865 133 A HA -0.238 4.072 4.320 -0.016 0.000 0.217 133 A C 2.379 179.964 177.584 0.003 0.000 1.191 133 A CA 1.697 53.730 52.037 -0.007 0.000 0.623 133 A CB -0.587 18.409 19.000 -0.007 0.000 0.826 133 A HN 0.303 nan 8.150 nan 0.000 0.444 134 R N 0.078 120.584 120.500 0.009 0.000 2.152 134 R HA -0.119 4.212 4.340 -0.016 0.000 0.232 134 R C 2.546 178.852 176.300 0.009 0.000 1.117 134 R CA 1.483 57.589 56.100 0.011 0.000 0.981 134 R CB -0.376 29.933 30.300 0.015 0.000 0.870 134 R HN 0.768 nan 8.270 nan 0.000 0.451 135 S N -0.638 115.068 115.700 0.009 0.000 2.402 135 S HA -0.052 4.408 4.470 -0.016 0.000 0.229 135 S C 1.641 176.243 174.600 0.005 0.000 1.021 135 S CA 0.986 59.191 58.200 0.008 0.000 0.974 135 S CB -0.084 63.122 63.200 0.010 0.000 0.800 135 S HN 0.503 nan 8.310 nan 0.000 0.484 136 G N 0.587 109.388 108.800 0.003 0.000 2.155 136 G HA2 -0.174 3.776 3.960 -0.016 0.000 0.257 136 G HA3 -0.174 3.776 3.960 -0.016 0.000 0.257 136 G C 0.659 175.558 174.900 -0.001 0.000 0.983 136 G CA 0.239 45.339 45.100 0.001 0.000 0.676 136 G HN 1.450 nan 8.290 nan 0.000 0.528 137 A N -1.167 121.653 122.820 -0.001 0.000 2.343 137 A HA 0.700 5.011 4.320 -0.016 0.000 0.223 137 A C 0.797 178.379 177.584 -0.004 0.000 1.214 137 A CA 1.046 53.082 52.037 -0.002 0.000 0.900 137 A CB 0.748 19.748 19.000 0.001 0.000 0.942 137 A HN 0.970 nan 8.150 nan 0.000 0.507 138 V N 0.724 120.634 119.914 -0.007 0.000 2.513 138 V HA 0.261 4.371 4.120 -0.016 0.000 0.299 138 V C 0.073 176.158 176.094 -0.016 0.000 1.035 138 V CA -0.537 61.756 62.300 -0.012 0.000 0.889 138 V CB 1.711 33.525 31.823 -0.015 0.000 0.988 138 V HN 0.380 nan 8.190 nan 0.000 0.440 139 D N 1.735 122.125 120.400 -0.017 0.000 2.338 139 D HA 0.087 4.718 4.640 -0.016 0.000 0.224 139 D C 0.334 176.619 176.300 -0.026 0.000 0.967 139 D CA 1.207 55.196 54.000 -0.018 0.000 0.896 139 D CB 1.565 42.356 40.800 -0.016 0.000 1.028 139 D HN 0.403 nan 8.370 nan 0.000 0.493 140 V N 0.804 120.701 119.914 -0.029 0.000 2.709 140 V HA 0.514 4.625 4.120 -0.016 0.000 0.308 140 V C -1.539 174.521 176.094 -0.056 0.000 1.062 140 V CA -0.713 61.561 62.300 -0.043 0.000 0.901 140 V CB 2.170 33.973 31.823 -0.034 0.000 1.003 140 V HN -0.094 nan 8.190 nan 0.000 0.425 141 I N 6.530 127.040 120.570 -0.101 0.000 2.465 141 I HA 0.636 4.796 4.170 -0.016 0.000 0.291 141 I C -0.568 175.410 176.117 -0.231 0.000 1.014 141 I CA -1.045 60.166 61.300 -0.148 0.000 1.093 141 I CB 2.033 39.930 38.000 -0.171 0.000 1.267 141 I HN 0.634 nan 8.210 nan 0.000 0.431 142 V N 7.103 126.846 119.914 -0.285 0.000 2.495 142 V HA 0.577 4.687 4.120 -0.016 0.000 0.298 142 V C -0.815 174.913 176.094 -0.610 0.000 1.031 142 V CA -0.360 61.687 62.300 -0.422 0.000 0.871 142 V CB 2.007 33.632 31.823 -0.331 0.000 0.988 142 V HN 0.443 nan 8.190 nan 0.000 0.432 143 V N 5.934 125.525 119.914 -0.538 0.000 2.333 143 V HA 0.392 4.503 4.120 -0.016 0.000 0.274 143 V C -0.018 175.891 176.094 -0.308 0.000 1.028 143 V CA -0.345 61.705 62.300 -0.417 0.000 0.851 143 V CB 1.201 32.837 31.823 -0.312 0.000 1.000 143 V HN 0.957 nan 8.190 nan 0.000 0.456 144 D N 3.675 123.854 120.400 -0.369 0.000 2.393 144 D HA 0.294 4.925 4.640 -0.016 0.000 0.232 144 D C 0.006 176.277 176.300 -0.050 0.000 1.192 144 D CA 0.629 54.521 54.000 -0.180 0.000 0.882 144 D CB 0.773 41.526 40.800 -0.078 0.000 1.038 144 D HN 0.635 nan 8.370 nan 0.000 0.499 145 S N 1.297 116.987 115.700 -0.017 0.000 3.080 145 S HA -0.162 4.298 4.470 -0.016 0.000 0.790 145 S C 1.094 175.710 174.600 0.026 0.000 0.736 145 S CA 0.307 58.497 58.200 -0.017 0.000 1.493 145 S CB -0.850 62.306 63.200 -0.074 0.000 1.047 145 S HN 0.498 nan 8.310 nan 0.000 0.709 146 V N 2.815 122.753 119.914 0.039 0.000 2.626 146 V HA 0.046 4.156 4.120 -0.016 0.000 0.252 146 V C 2.226 178.312 176.094 -0.013 0.000 1.067 146 V CA 2.384 64.691 62.300 0.012 0.000 1.081 146 V CB -0.887 30.885 31.823 -0.085 0.000 0.686 146 V HN 1.430 nan 8.190 nan 0.000 0.468 147 A N 0.488 123.290 122.820 -0.030 0.000 2.019 147 A HA 0.149 4.459 4.320 -0.016 0.000 0.219 147 A C 2.337 179.980 177.584 0.098 0.000 1.164 147 A CA 1.951 53.986 52.037 -0.004 0.000 0.644 147 A CB -0.807 18.151 19.000 -0.071 0.000 0.805 147 A HN 1.144 nan 8.150 nan 0.000 0.449 148 A N -1.395 121.487 122.820 0.104 0.000 2.275 148 A HA 0.434 4.744 4.320 -0.016 0.000 0.212 148 A C 0.435 178.086 177.584 0.112 0.000 1.201 148 A CA -0.094 52.052 52.037 0.182 0.000 0.843 148 A CB -0.137 18.983 19.000 0.199 0.000 0.873 148 A HN 0.270 nan 8.150 nan 0.000 0.492 149 L N 2.468 123.728 121.223 0.062 0.000 2.448 149 L HA 0.178 4.508 4.340 -0.016 0.000 0.278 149 L C -0.039 176.839 176.870 0.013 0.000 1.201 149 L CA 0.725 55.585 54.840 0.034 0.000 1.036 149 L CB -0.692 41.379 42.059 0.019 0.000 1.325 149 L HN 0.089 nan 8.230 nan 0.000 0.441 150 T N 4.815 119.377 114.554 0.013 0.000 2.743 150 T HA 0.335 4.676 4.350 -0.016 0.000 0.293 150 T C -2.265 172.412 174.700 -0.038 0.000 0.945 150 T CA -1.382 60.706 62.100 -0.019 0.000 1.030 150 T CB 0.916 69.771 68.868 -0.021 0.000 0.912 150 T HN 0.204 nan 8.240 nan 0.000 0.483 151 P HA 0.041 nan 4.420 nan 0.000 0.266 151 P C 1.045 178.301 177.300 -0.073 0.000 1.193 151 P CA -0.311 62.752 63.100 -0.062 0.000 0.770 151 P CB 0.710 32.363 31.700 -0.078 0.000 0.836 152 K N 3.006 123.384 120.400 -0.038 0.000 2.074 152 K HA -0.238 4.072 4.320 -0.016 0.000 0.209 152 K C 1.721 178.297 176.600 -0.039 0.000 1.048 152 K CA 2.018 58.292 56.287 -0.022 0.000 0.926 152 K CB -0.598 31.906 32.500 0.007 0.000 0.713 152 K HN 0.483 nan 8.250 nan 0.000 0.444 153 A N 1.091 123.884 122.820 -0.045 0.000 1.933 153 A HA -0.215 4.096 4.320 -0.016 0.000 0.218 153 A C 1.978 179.467 177.584 -0.158 0.000 1.175 153 A CA 1.868 53.889 52.037 -0.026 0.000 0.628 153 A CB -0.460 18.570 19.000 0.050 0.000 0.814 153 A HN 0.598 nan 8.150 nan 0.000 0.444 154 E N -0.202 119.760 120.200 -0.398 0.000 2.046 154 E HA -0.135 4.205 4.350 -0.016 0.000 0.190 154 E C 1.877 178.344 176.600 -0.221 0.000 0.982 154 E CA 1.075 57.097 56.400 -0.631 0.000 0.800 154 E CB -0.153 29.217 29.700 -0.551 0.000 0.756 154 E HN 0.507 nan 8.360 nan 0.000 0.449 155 I N 1.426 121.921 120.570 -0.126 0.000 2.118 155 I HA -0.298 3.862 4.170 -0.016 0.000 0.241 155 I C 2.229 178.333 176.117 -0.021 0.000 1.070 155 I CA 1.748 63.015 61.300 -0.054 0.000 1.327 155 I CB -1.088 36.893 38.000 -0.031 0.000 1.034 155 I HN 0.284 nan 8.210 nan 0.000 0.405 156 E N 0.468 120.662 120.200 -0.010 0.000 2.110 156 E HA -0.065 4.276 4.350 -0.016 0.000 0.193 156 E C 1.354 177.978 176.600 0.040 0.000 0.988 156 E CA 0.699 57.109 56.400 0.017 0.000 0.804 156 E CB -0.261 29.453 29.700 0.023 0.000 0.745 156 E HN 0.528 nan 8.360 nan 0.000 0.458 157 G N 0.819 109.659 108.800 0.067 0.000 2.599 157 G HA2 0.061 4.011 3.960 -0.016 0.000 0.264 157 G HA3 0.061 4.011 3.960 -0.016 0.000 0.264 157 G C -0.375 174.592 174.900 0.111 0.000 1.200 157 G CA -0.558 44.619 45.100 0.128 0.000 0.896 157 G HN 0.017 nan 8.290 nan 0.000 0.536 158 E N -0.954 119.314 120.200 0.113 0.000 2.392 158 E HA 0.127 4.468 4.350 -0.016 0.000 0.259 158 E C 0.081 176.745 176.600 0.107 0.000 1.108 158 E CA -0.160 56.299 56.400 0.099 0.000 0.916 158 E CB 1.291 31.047 29.700 0.093 0.000 0.989 158 E HN 0.251 nan 8.360 nan 0.000 0.432 159 I N 1.322 121.942 120.570 0.085 0.000 2.598 159 I HA 0.024 4.184 4.170 -0.016 0.000 0.284 159 I C 1.284 177.439 176.117 0.064 0.000 1.140 159 I CA 1.152 62.491 61.300 0.064 0.000 1.420 159 I CB 0.423 38.447 38.000 0.041 0.000 1.387 159 I HN 0.871 nan 8.210 nan 0.000 0.553 160 G N 3.798 112.631 108.800 0.056 0.000 2.175 160 G HA2 -0.209 3.742 3.960 -0.016 0.000 0.244 160 G HA3 -0.209 3.742 3.960 -0.016 0.000 0.244 160 G C -0.040 174.880 174.900 0.034 0.000 0.982 160 G CA -0.486 44.637 45.100 0.039 0.000 0.641 160 G HN 0.564 nan 8.290 nan 0.000 0.527 161 D N 0.709 121.143 120.400 0.056 0.000 2.302 161 D HA 0.505 5.136 4.640 -0.016 0.000 0.248 161 D C 0.327 176.582 176.300 -0.074 0.000 1.094 161 D CA 0.469 54.459 54.000 -0.017 0.000 0.897 161 D CB 1.581 42.397 40.800 0.026 0.000 1.200 161 D HN 0.138 nan 8.370 nan 0.000 0.429 162 S N 1.899 117.469 115.700 -0.217 0.000 2.475 162 S HA 0.216 4.677 4.470 -0.016 0.000 0.281 162 S C -0.621 173.740 174.600 -0.398 0.000 1.198 162 S CA -0.567 57.529 58.200 -0.175 0.000 1.063 162 S CB 0.113 63.254 63.200 -0.098 0.000 0.972 162 S HN 0.360 nan 8.310 nan 0.000 0.486 163 H N 4.937 124.009 119.070 0.004 0.000 2.429 163 H HA 0.181 4.727 4.556 -0.016 0.000 0.231 163 H C -0.506 174.823 175.328 0.002 0.000 1.416 163 H CA -0.728 55.322 56.048 0.003 0.000 1.443 163 H CB 0.263 30.027 29.762 0.003 0.000 1.591 163 H HN 0.444 nan 8.280 nan 0.000 0.507 164 M N 1.180 120.821 119.600 0.069 0.000 2.327 164 M HA 0.019 4.490 4.480 -0.016 0.000 0.353 164 M C 1.268 177.595 176.300 0.045 0.000 1.539 164 M CA 0.871 56.199 55.300 0.047 0.000 1.039 164 M CB -0.331 32.283 32.600 0.023 0.000 1.967 164 M HN 0.949 nan 8.290 nan 0.000 0.459 165 G N 4.151 112.973 108.800 0.037 0.000 2.321 165 G HA2 -0.269 3.682 3.960 -0.016 0.000 0.287 165 G HA3 -0.269 3.682 3.960 -0.016 0.000 0.287 165 G C 0.673 175.588 174.900 0.024 0.000 1.018 165 G CA 0.520 45.634 45.100 0.024 0.000 0.855 165 G HN 0.700 nan 8.290 nan 0.000 0.507 166 L N -0.118 121.128 121.223 0.039 0.000 2.109 166 L HA 0.378 4.709 4.340 -0.016 0.000 0.207 166 L C 2.950 179.822 176.870 0.002 0.000 1.086 166 L CA 2.843 57.701 54.840 0.031 0.000 0.760 166 L CB -0.486 41.607 42.059 0.057 0.000 0.910 166 L HN 0.456 nan 8.230 nan 0.000 0.437 167 A N -0.764 122.052 122.820 -0.007 0.000 1.930 167 A HA -0.084 4.226 4.320 -0.016 0.000 0.217 167 A C 2.419 179.984 177.584 -0.032 0.000 1.175 167 A CA 1.530 53.552 52.037 -0.025 0.000 0.627 167 A CB -0.948 18.035 19.000 -0.028 0.000 0.815 167 A HN 0.487 nan 8.150 nan 0.000 0.443 168 A N 0.816 123.624 122.820 -0.021 0.000 1.877 168 A HA -0.178 4.132 4.320 -0.016 0.000 0.216 168 A C 2.255 179.826 177.584 -0.021 0.000 1.186 168 A CA 1.805 53.828 52.037 -0.023 0.000 0.620 168 A CB -0.530 18.466 19.000 -0.007 0.000 0.822 168 A HN 0.697 nan 8.150 nan 0.000 0.443 169 R N -0.622 119.871 120.500 -0.011 0.000 2.148 169 R HA 0.007 4.338 4.340 -0.016 0.000 0.227 169 R C 2.096 178.383 176.300 -0.021 0.000 1.103 169 R CA 1.565 57.659 56.100 -0.010 0.000 0.983 169 R CB -0.491 29.810 30.300 0.000 0.000 0.874 169 R HN 0.538 nan 8.270 nan 0.000 0.451 170 M N 0.327 119.911 119.600 -0.025 0.000 2.099 170 M HA -0.112 4.358 4.480 -0.016 0.000 0.262 170 M C 1.870 178.136 176.300 -0.057 0.000 1.067 170 M CA 1.557 56.837 55.300 -0.032 0.000 1.124 170 M CB 0.028 32.611 32.600 -0.028 0.000 1.353 170 M HN 0.223 nan 8.290 nan 0.000 0.410 171 M N -0.481 119.072 119.600 -0.079 0.000 2.117 171 M HA -0.177 4.294 4.480 -0.016 0.000 0.262 171 M C 2.434 178.653 176.300 -0.135 0.000 1.065 171 M CA 1.546 56.767 55.300 -0.131 0.000 1.114 171 M CB -1.409 31.098 32.600 -0.155 0.000 1.361 171 M HN 0.388 nan 8.290 nan 0.000 0.408 172 S N -0.160 115.490 115.700 -0.084 0.000 2.368 172 S HA -0.201 4.260 4.470 -0.016 0.000 0.225 172 S C 1.896 176.440 174.600 -0.093 0.000 1.030 172 S CA 1.475 59.635 58.200 -0.067 0.000 0.999 172 S CB -0.134 63.056 63.200 -0.016 0.000 0.844 172 S HN 0.540 nan 8.310 nan 0.000 0.459 173 Q N 0.042 119.800 119.800 -0.069 0.000 2.079 173 Q HA -0.050 4.281 4.340 -0.016 0.000 0.200 173 Q C 2.201 178.150 176.000 -0.085 0.000 0.974 173 Q CA 1.273 57.041 55.803 -0.059 0.000 0.840 173 Q CB -0.377 28.342 28.738 -0.032 0.000 0.898 173 Q HN 0.622 nan 8.270 nan 0.000 0.430 174 A N 0.902 123.665 122.820 -0.095 0.000 1.883 174 A HA -0.217 4.093 4.320 -0.016 0.000 0.217 174 A C 2.054 179.545 177.584 -0.156 0.000 1.186 174 A CA 1.702 53.688 52.037 -0.087 0.000 0.624 174 A CB -0.512 18.454 19.000 -0.057 0.000 0.822 174 A HN 0.396 nan 8.150 nan 0.000 0.444 175 M N -1.049 118.363 119.600 -0.313 0.000 2.080 175 M HA -0.138 4.332 4.480 -0.016 0.000 0.260 175 M C 2.161 178.104 176.300 -0.596 0.000 1.068 175 M CA 1.794 56.714 55.300 -0.633 0.000 1.109 175 M CB -1.385 30.445 32.600 -1.284 0.000 1.342 175 M HN 0.454 nan 8.290 nan 0.000 0.405 176 R N 0.517 120.767 120.500 -0.415 0.000 2.134 176 R HA -0.206 4.124 4.340 -0.016 0.000 0.248 176 R C 2.199 178.468 176.300 -0.053 0.000 1.143 176 R CA 2.130 58.160 56.100 -0.118 0.000 0.957 176 R CB -0.057 30.215 30.300 -0.047 0.000 0.867 176 R HN 0.404 nan 8.270 nan 0.000 0.441 177 K N -0.456 119.906 120.400 -0.064 0.000 2.098 177 K HA -0.005 4.306 4.320 -0.016 0.000 0.203 177 K C 2.094 178.686 176.600 -0.012 0.000 1.051 177 K CA 0.898 57.172 56.287 -0.022 0.000 0.957 177 K CB 0.005 32.497 32.500 -0.014 0.000 0.738 177 K HN 0.137 nan 8.250 nan 0.000 0.447 178 L N 0.838 122.043 121.223 -0.030 0.000 2.056 178 L HA -0.132 4.199 4.340 -0.016 0.000 0.207 178 L C 2.607 179.490 176.870 0.022 0.000 1.078 178 L CA 0.960 55.799 54.840 -0.000 0.000 0.749 178 L CB -0.588 41.481 42.059 0.017 0.000 0.901 178 L HN 0.201 nan 8.230 nan 0.000 0.433 179 A N 0.499 123.336 122.820 0.029 0.000 1.892 179 A HA -0.218 4.093 4.320 -0.016 0.000 0.218 179 A C 2.380 180.012 177.584 0.081 0.000 1.188 179 A CA 2.130 54.228 52.037 0.101 0.000 0.631 179 A CB -1.408 17.725 19.000 0.221 0.000 0.822 179 A HN 0.459 nan 8.150 nan 0.000 0.447 180 G N -0.625 108.214 108.800 0.065 0.000 2.421 180 G HA2 -0.271 3.679 3.960 -0.016 0.000 0.216 180 G HA3 -0.271 3.679 3.960 -0.016 0.000 0.216 180 G C 1.451 176.372 174.900 0.035 0.000 1.171 180 G CA 1.083 46.213 45.100 0.049 0.000 0.775 180 G HN 0.716 nan 8.290 nan 0.000 0.543 181 N N 0.020 118.737 118.700 0.028 0.000 2.120 181 N HA -0.018 4.712 4.740 -0.016 0.000 0.188 181 N C 2.224 177.745 175.510 0.018 0.000 1.024 181 N CA 0.585 53.647 53.050 0.020 0.000 0.852 181 N CB -0.157 38.339 38.487 0.016 0.000 1.003 181 N HN 0.234 nan 8.380 nan 0.000 0.424 182 L N 0.809 122.045 121.223 0.021 0.000 2.046 182 L HA -0.160 4.170 4.340 -0.016 0.000 0.208 182 L C 2.438 179.319 176.870 0.019 0.000 1.077 182 L CA 1.004 55.854 54.840 0.016 0.000 0.747 182 L CB -0.293 41.779 42.059 0.022 0.000 0.896 182 L HN 0.110 nan 8.230 nan 0.000 0.432 183 K N 0.635 121.053 120.400 0.029 0.000 2.026 183 K HA -0.199 4.112 4.320 -0.016 0.000 0.208 183 K C 2.032 178.643 176.600 0.019 0.000 1.048 183 K CA 1.612 57.915 56.287 0.027 0.000 0.929 183 K CB -0.205 32.316 32.500 0.035 0.000 0.713 183 K HN 0.212 nan 8.250 nan 0.000 0.439 184 Q N -0.482 119.329 119.800 0.018 0.000 2.488 184 Q HA 0.061 4.391 4.340 -0.016 0.000 0.211 184 Q C 0.736 176.742 176.000 0.010 0.000 0.967 184 Q CA 1.114 56.926 55.803 0.014 0.000 0.926 184 Q CB 0.358 29.105 28.738 0.015 0.000 0.992 184 Q HN 0.268 nan 8.270 nan 0.000 0.506 185 S N -0.122 115.583 115.700 0.008 0.000 2.559 185 S HA 0.070 4.530 4.470 -0.016 0.000 0.226 185 S C 0.231 174.832 174.600 0.002 0.000 1.000 185 S CA -0.224 57.979 58.200 0.004 0.000 0.948 185 S CB 0.356 63.558 63.200 0.002 0.000 0.870 185 S HN 0.394 nan 8.310 nan 0.000 0.497 186 N N 2.201 120.904 118.700 0.004 0.000 2.740 186 N HA -0.139 4.592 4.740 -0.016 0.000 0.248 186 N C -1.219 174.289 175.510 -0.003 0.000 1.062 186 N CA 0.839 53.891 53.050 0.002 0.000 0.704 186 N CB -1.615 36.873 38.487 0.001 0.000 0.968 186 N HN 0.339 nan 8.380 nan 0.000 0.547 187 T N 0.813 115.364 114.554 -0.005 0.000 2.767 187 T HA 0.447 4.787 4.350 -0.016 0.000 0.284 187 T C 0.223 174.911 174.700 -0.020 0.000 0.973 187 T CA -0.677 61.414 62.100 -0.016 0.000 0.996 187 T CB 1.539 70.395 68.868 -0.021 0.000 0.927 187 T HN 0.278 nan 8.240 nan 0.000 0.456 188 L N 4.678 125.884 121.223 -0.029 0.000 2.290 188 L HA 0.535 4.865 4.340 -0.016 0.000 0.284 188 L C -0.831 175.996 176.870 -0.072 0.000 1.078 188 L CA -0.286 54.533 54.840 -0.035 0.000 0.815 188 L CB 0.309 42.350 42.059 -0.029 0.000 1.162 188 L HN 0.612 nan 8.230 nan 0.000 0.435 189 L N 7.006 128.177 121.223 -0.088 0.000 2.319 189 L HA 0.527 4.857 4.340 -0.016 0.000 0.281 189 L C -0.964 175.777 176.870 -0.216 0.000 1.005 189 L CA -0.482 54.240 54.840 -0.196 0.000 0.828 189 L CB 1.226 43.151 42.059 -0.223 0.000 1.227 189 L HN 0.668 nan 8.230 nan 0.000 0.415 190 I N 4.532 124.944 120.570 -0.265 0.000 2.321 190 I HA 0.275 4.436 4.170 -0.016 0.000 0.291 190 I C -0.821 175.108 176.117 -0.312 0.000 0.998 190 I CA -0.328 60.863 61.300 -0.182 0.000 1.227 190 I CB 1.312 39.253 38.000 -0.098 0.000 1.368 190 I HN 0.390 nan 8.210 nan 0.000 0.466 191 F N 6.557 126.485 119.950 -0.038 0.000 2.404 191 F HA 0.471 4.988 4.527 -0.016 0.000 0.354 191 F C 0.407 176.193 175.800 -0.023 0.000 1.122 191 F CA -0.428 57.544 58.000 -0.047 0.000 1.080 191 F CB 0.987 39.971 39.000 -0.027 0.000 1.131 191 F HN 0.216 nan 8.300 nan 0.000 0.471 192 I N 3.464 124.112 120.570 0.130 0.000 2.428 192 I HA 0.207 4.367 4.170 -0.016 0.000 0.289 192 I C -0.129 176.045 176.117 0.095 0.000 1.019 192 I CA -0.089 61.270 61.300 0.098 0.000 1.351 192 I CB 1.110 39.139 38.000 0.048 0.000 1.412 192 I HN 0.646 nan 8.210 nan 0.000 0.513 193 N N 3.877 122.631 118.700 0.090 0.000 2.312 193 N HA 0.394 5.125 4.740 -0.016 0.000 0.296 193 N C -1.281 174.196 175.510 -0.054 0.000 1.193 193 N CA -0.693 52.365 53.050 0.013 0.000 0.773 193 N CB 1.793 40.292 38.487 0.020 0.000 1.435 193 N HN 0.540 nan 8.380 nan 0.000 0.484 194 Q N 0.737 120.392 119.800 -0.241 0.000 2.194 194 Q HA 0.517 4.848 4.340 -0.016 0.000 0.245 194 Q C -0.693 175.108 176.000 -0.332 0.000 0.993 194 Q CA -0.682 54.784 55.803 -0.562 0.000 0.930 194 Q CB 2.045 30.139 28.738 -1.073 0.000 1.238 194 Q HN 0.469 nan 8.270 nan 0.000 0.486 195 I N 1.199 121.595 120.570 -0.290 0.000 2.392 195 I HA 0.397 4.558 4.170 -0.016 0.000 0.295 195 I C -0.152 175.960 176.117 -0.008 0.000 0.985 195 I CA -0.677 60.605 61.300 -0.030 0.000 1.221 195 I CB 0.929 39.038 38.000 0.182 0.000 1.366 195 I HN 0.352 nan 8.210 nan 0.000 0.467 196 R N 4.665 125.155 120.500 -0.017 0.000 2.888 196 R HA 0.622 4.952 4.340 -0.016 0.000 0.266 196 R C -0.914 175.395 176.300 0.015 0.000 1.020 196 R CA -1.249 54.858 56.100 0.012 0.000 0.963 196 R CB 1.541 31.831 30.300 -0.015 0.000 1.197 196 R HN 0.358 nan 8.270 nan 0.000 0.481 197 M N 1.545 121.157 119.600 0.020 0.000 2.359 197 M HA 0.289 4.759 4.480 -0.016 0.000 0.322 197 M C 0.127 176.426 176.300 -0.003 0.000 1.166 197 M CA -0.555 54.751 55.300 0.009 0.000 1.067 197 M CB 0.603 33.209 32.600 0.010 0.000 1.523 197 M HN 0.267 nan 8.290 nan 0.000 0.467 198 K N 2.614 123.009 120.400 -0.009 0.000 2.404 198 K HA 0.503 4.814 4.320 -0.016 0.000 0.257 198 K C -1.066 175.524 176.600 -0.016 0.000 1.026 198 K CA -0.258 56.026 56.287 -0.006 0.000 0.951 198 K CB 0.107 32.609 32.500 0.003 0.000 1.203 198 K HN 0.616 nan 8.250 nan 0.000 0.446 199 I N 2.212 122.775 120.570 -0.011 0.000 2.533 199 I HA 0.129 4.289 4.170 -0.016 0.000 0.284 199 I C 1.125 177.231 176.117 -0.018 0.000 1.109 199 I CA 0.750 62.038 61.300 -0.019 0.000 1.412 199 I CB 0.518 38.514 38.000 -0.006 0.000 1.396 199 I HN 1.056 nan 8.210 nan 0.000 0.543 200 G N 4.102 112.871 108.800 -0.050 0.000 2.184 200 G HA2 -0.182 3.769 3.960 -0.016 0.000 0.206 200 G HA3 -0.182 3.769 3.960 -0.016 0.000 0.206 200 G C -0.061 174.763 174.900 -0.127 0.000 0.995 200 G CA -0.507 44.568 45.100 -0.043 0.000 0.651 200 G HN 0.449 nan 8.290 nan 0.000 0.511 201 V N 3.400 123.172 119.914 -0.236 0.000 2.348 201 V HA 0.551 4.662 4.120 -0.016 0.000 0.270 201 V C 0.899 176.470 176.094 -0.870 0.000 1.037 201 V CA -0.052 61.910 62.300 -0.563 0.000 0.872 201 V CB 1.192 32.923 31.823 -0.153 0.000 1.002 201 V HN 0.390 nan 8.190 nan 0.000 0.464 202 M N 5.999 124.538 119.600 -1.768 0.000 2.869 202 M HA 0.458 4.928 4.480 -0.016 0.000 0.353 202 M C -0.901 175.003 176.300 -0.659 0.000 1.224 202 M CA 0.093 54.839 55.300 -0.923 0.000 0.917 202 M CB -0.404 31.896 32.600 -0.500 0.000 1.322 202 M HN 0.571 nan 8.290 nan 0.000 0.516 203 F N -1.182 118.773 119.950 0.007 0.000 3.596 203 F HA 0.671 5.188 4.527 -0.016 0.000 0.407 203 F C 0.027 175.829 175.800 0.003 0.000 1.168 203 F CA -0.941 57.062 58.000 0.005 0.000 1.405 203 F CB -0.217 38.785 39.000 0.004 0.000 2.272 203 F HN 0.457 nan 8.300 nan 0.000 0.758 204 G N 1.261 110.138 108.800 0.128 0.000 2.592 204 G HA2 -0.151 3.800 3.960 -0.016 0.000 0.684 204 G HA3 -0.151 3.800 3.960 -0.016 0.000 0.684 204 G C -1.022 173.905 174.900 0.044 0.000 1.291 204 G CA -0.785 44.368 45.100 0.089 0.000 0.891 204 G HN 0.998 nan 8.290 nan 0.000 0.544 205 N N 1.454 120.177 118.700 0.038 0.000 2.315 205 N HA 0.136 4.866 4.740 -0.016 0.000 0.270 205 N C -0.638 174.882 175.510 0.018 0.000 1.329 205 N CA -0.269 52.797 53.050 0.026 0.000 0.860 205 N CB 0.704 39.211 38.487 0.033 0.000 1.095 205 N HN 0.344 nan 8.380 nan 0.000 0.487 206 P HA 0.026 nan 4.420 nan 0.000 0.249 206 P C -0.597 176.703 177.300 0.000 0.000 1.229 206 P CA 0.609 63.702 63.100 -0.011 0.000 0.788 206 P CB 0.290 31.975 31.700 -0.025 0.000 1.072 207 E N 0.282 120.488 120.200 0.011 0.000 2.331 207 E HA 0.304 4.645 4.350 -0.016 0.000 0.272 207 E C 0.057 176.637 176.600 -0.033 0.000 1.036 207 E CA 0.199 56.604 56.400 0.008 0.000 0.864 207 E CB 0.820 30.543 29.700 0.040 0.000 1.035 207 E HN 0.112 nan 8.360 nan 0.000 0.408 208 T N 0.242 114.759 114.554 -0.060 0.000 2.669 208 T HA 0.460 4.800 4.350 -0.016 0.000 0.283 208 T C -0.360 174.235 174.700 -0.176 0.000 1.019 208 T CA -0.742 61.287 62.100 -0.118 0.000 1.039 208 T CB 1.755 70.576 68.868 -0.079 0.000 1.374 208 T HN 0.307 nan 8.240 nan 0.000 0.523 209 T N 0.919 115.353 114.554 -0.201 0.000 2.906 209 T HA 0.624 4.964 4.350 -0.016 0.000 0.295 209 T C -0.605 174.005 174.700 -0.150 0.000 1.075 209 T CA -0.406 61.554 62.100 -0.232 0.000 1.005 209 T CB 1.650 70.302 68.868 -0.361 0.000 1.136 209 T HN 0.659 nan 8.240 nan 0.000 0.498 210 T N 1.062 115.534 114.554 -0.137 0.000 2.882 210 T HA 0.516 4.857 4.350 -0.016 0.000 0.287 210 T C 1.234 175.874 174.700 -0.099 0.000 1.014 210 T CA 0.675 62.714 62.100 -0.102 0.000 1.049 210 T CB 0.831 69.642 68.868 -0.094 0.000 1.001 210 T HN 1.104 nan 8.240 nan 0.000 0.525 211 G N 0.285 109.039 108.800 -0.076 0.000 2.141 211 G HA2 0.208 4.159 3.960 -0.016 0.000 0.242 211 G HA3 0.208 4.159 3.960 -0.016 0.000 0.242 211 G C 0.673 175.530 174.900 -0.072 0.000 0.982 211 G CA 0.113 45.163 45.100 -0.082 0.000 0.662 211 G HN 1.726 nan 8.290 nan 0.000 0.527 212 G N -0.503 108.266 108.800 -0.051 0.000 2.587 212 G HA2 -0.076 3.875 3.960 -0.016 0.000 0.212 212 G HA3 -0.076 3.875 3.960 -0.016 0.000 0.212 212 G C 0.396 175.294 174.900 -0.004 0.000 1.327 212 G CA 0.505 45.593 45.100 -0.020 0.000 0.898 212 G HN 0.874 nan 8.290 nan 0.000 0.551 213 N N 0.287 119.020 118.700 0.055 0.000 2.388 213 N HA 0.226 4.956 4.740 -0.016 0.000 0.176 213 N C 2.479 178.142 175.510 0.255 0.000 1.062 213 N CA 1.419 54.549 53.050 0.134 0.000 0.895 213 N CB -0.098 38.514 38.487 0.209 0.000 1.018 213 N HN 0.914 nan 8.380 nan 0.000 0.456 214 A N 1.609 124.551 122.820 0.202 0.000 1.873 214 A HA -0.163 4.147 4.320 -0.016 0.000 0.218 214 A C 2.159 179.947 177.584 0.340 0.000 1.193 214 A CA 1.237 53.451 52.037 0.296 0.000 0.629 214 A CB -0.839 18.230 19.000 0.114 0.000 0.826 214 A HN 0.218 nan 8.150 nan 0.000 0.447 215 L N -0.081 121.202 121.223 0.101 0.000 2.079 215 L HA -0.186 4.144 4.340 -0.016 0.000 0.210 215 L C 2.233 179.161 176.870 0.095 0.000 1.081 215 L CA 2.296 57.161 54.840 0.041 0.000 0.752 215 L CB -0.635 41.332 42.059 -0.153 0.000 0.896 215 L HN 0.397 nan 8.230 nan 0.000 0.433 216 K N -1.159 119.258 120.400 0.028 0.000 2.059 216 K HA -0.249 4.061 4.320 -0.016 0.000 0.212 216 K C 2.045 178.573 176.600 -0.120 0.000 1.050 216 K CA 2.265 58.491 56.287 -0.101 0.000 0.927 216 K CB -0.492 31.838 32.500 -0.283 0.000 0.714 216 K HN 0.287 nan 8.250 nan 0.000 0.447 217 F N -0.833 119.141 119.950 0.039 0.000 2.163 217 F HA -0.129 4.389 4.527 -0.016 0.000 0.297 217 F C 2.039 177.786 175.800 -0.088 0.000 1.094 217 F CA 1.091 59.062 58.000 -0.048 0.000 1.290 217 F CB -0.307 38.620 39.000 -0.121 0.000 1.017 217 F HN 0.023 nan 8.300 nan 0.000 0.483 218 Y N -0.018 120.395 120.300 0.189 0.000 2.519 218 Y HA 0.251 4.792 4.550 -0.016 0.000 0.287 218 Y C 1.523 177.477 175.900 0.091 0.000 1.128 218 Y CA -0.111 58.061 58.100 0.121 0.000 1.282 218 Y CB -0.627 37.891 38.460 0.097 0.000 1.027 218 Y HN -0.121 nan 8.280 nan 0.000 0.551 219 A N -0.195 122.748 122.820 0.205 0.000 2.488 219 A HA 0.173 4.484 4.320 -0.016 0.000 0.249 219 A C 1.261 178.897 177.584 0.086 0.000 1.083 219 A CA 0.277 52.400 52.037 0.144 0.000 0.768 219 A CB 0.239 19.309 19.000 0.117 0.000 1.017 219 A HN 0.308 nan 8.150 nan 0.000 0.496 220 S N 0.624 116.370 115.700 0.076 0.000 2.446 220 S HA 0.140 4.601 4.470 -0.016 0.000 0.225 220 S C 0.427 175.036 174.600 0.015 0.000 1.016 220 S CA 0.607 58.830 58.200 0.039 0.000 0.943 220 S CB 0.037 63.261 63.200 0.039 0.000 0.786 220 S HN 0.568 nan 8.310 nan 0.000 0.508 221 V N 2.181 122.111 119.914 0.026 0.000 2.760 221 V HA 0.482 4.592 4.120 -0.016 0.000 0.309 221 V C -0.772 175.340 176.094 0.031 0.000 1.077 221 V CA -0.882 61.423 62.300 0.008 0.000 0.910 221 V CB 2.111 33.938 31.823 0.007 0.000 1.008 221 V HN 0.126 nan 8.190 nan 0.000 0.424 222 R N 3.928 124.438 120.500 0.017 0.000 2.534 222 R HA 0.699 5.029 4.340 -0.016 0.000 0.301 222 R C -1.896 174.404 176.300 -0.000 0.000 0.961 222 R CA -0.907 55.229 56.100 0.060 0.000 0.871 222 R CB 2.318 32.694 30.300 0.125 0.000 1.170 222 R HN 0.349 nan 8.270 nan 0.000 0.446 223 L N 2.301 123.495 121.223 -0.049 0.000 2.333 223 L HA 0.290 4.621 4.340 -0.016 0.000 0.280 223 L C -0.383 176.227 176.870 -0.433 0.000 1.004 223 L CA -0.570 54.184 54.840 -0.143 0.000 0.820 223 L CB 1.550 43.573 42.059 -0.060 0.000 1.247 223 L HN 0.492 nan 8.230 nan 0.000 0.416 224 D N 4.326 124.453 120.400 -0.456 0.000 2.412 224 D HA 0.271 4.901 4.640 -0.016 0.000 0.224 224 D C -0.689 175.455 176.300 -0.260 0.000 1.093 224 D CA -0.177 53.446 54.000 -0.629 0.000 0.850 224 D CB 0.922 41.471 40.800 -0.419 0.000 1.046 224 D HN 0.459 nan 8.370 nan 0.000 0.507 225 I N 3.414 123.867 120.570 -0.194 0.000 2.392 225 I HA 0.493 4.653 4.170 -0.016 0.000 0.295 225 I C -0.698 175.401 176.117 -0.029 0.000 0.985 225 I CA -0.677 60.584 61.300 -0.066 0.000 1.221 225 I CB 0.692 38.696 38.000 0.007 0.000 1.366 225 I HN 0.263 nan 8.210 nan 0.000 0.467 226 R N 5.539 126.016 120.500 -0.039 0.000 2.626 226 R HA 0.378 4.708 4.340 -0.016 0.000 0.274 226 R C -1.132 175.148 176.300 -0.033 0.000 1.031 226 R CA -0.908 55.183 56.100 -0.016 0.000 0.898 226 R CB 2.061 32.352 30.300 -0.014 0.000 1.222 226 R HN 0.565 nan 8.270 nan 0.000 0.455 227 R N 4.054 124.556 120.500 0.004 0.000 2.267 227 R HA 0.197 4.528 4.340 -0.016 0.000 0.319 227 R C 0.685 176.980 176.300 -0.008 0.000 1.067 227 R CA 0.036 56.140 56.100 0.008 0.000 0.936 227 R CB 0.411 30.751 30.300 0.066 0.000 1.006 227 R HN 0.763 nan 8.270 nan 0.000 0.452 228 I N 0.694 121.242 120.570 -0.036 0.000 4.082 228 I HA 0.500 4.661 4.170 -0.016 0.000 0.337 228 I C 0.384 176.479 176.117 -0.036 0.000 1.352 228 I CA -0.220 61.057 61.300 -0.039 0.000 1.097 228 I CB 0.956 38.921 38.000 -0.058 0.000 1.048 228 I HN 0.667 nan 8.210 nan 0.000 0.393 229 G N 1.040 109.820 108.800 -0.034 0.000 2.320 229 G HA2 0.604 4.555 3.960 -0.016 0.000 0.296 229 G HA3 0.604 4.555 3.960 -0.016 0.000 0.296 229 G C -1.974 172.897 174.900 -0.049 0.000 1.306 229 G CA -0.237 44.835 45.100 -0.046 0.000 0.836 229 G HN 0.325 nan 8.290 nan 0.000 0.517 230 A N -0.712 122.063 122.820 -0.075 0.000 2.324 230 A HA 0.781 5.092 4.320 -0.016 0.000 0.330 230 A C -0.268 177.276 177.584 -0.067 0.000 1.165 230 A CA -0.548 51.437 52.037 -0.087 0.000 0.813 230 A CB 1.580 20.483 19.000 -0.161 0.000 1.197 230 A HN 1.479 nan 8.150 nan 0.000 0.484 231 V N 3.009 122.882 119.914 -0.069 0.000 2.383 231 V HA 0.345 4.455 4.120 -0.016 0.000 0.275 231 V C 0.096 176.159 176.094 -0.052 0.000 1.036 231 V CA -0.278 61.981 62.300 -0.067 0.000 0.889 231 V CB 0.882 32.649 31.823 -0.094 0.000 0.985 231 V HN 0.837 nan 8.190 nan 0.000 0.459 232 K N 3.410 123.788 120.400 -0.036 0.000 2.345 232 K HA 0.453 4.763 4.320 -0.016 0.000 0.255 232 K C -0.660 175.934 176.600 -0.010 0.000 0.934 232 K CA -0.721 55.555 56.287 -0.019 0.000 0.801 232 K CB 2.415 34.901 32.500 -0.024 0.000 1.137 232 K HN 0.520 nan 8.250 nan 0.000 0.424 233 E N 2.273 122.475 120.200 0.004 0.000 2.069 233 E HA 0.111 4.451 4.350 -0.016 0.000 0.254 233 E C 0.813 177.418 176.600 0.008 0.000 1.088 233 E CA -0.028 56.376 56.400 0.007 0.000 1.017 233 E CB 0.697 30.408 29.700 0.018 0.000 1.226 233 E HN 0.986 nan 8.360 nan 0.000 0.458 234 G N 3.697 112.497 108.800 0.000 0.000 3.434 234 G HA2 -0.449 3.501 3.960 -0.016 0.000 0.343 234 G HA3 -0.449 3.501 3.960 -0.016 0.000 0.343 234 G C 1.124 176.025 174.900 0.002 0.000 1.240 234 G CA 0.709 45.809 45.100 -0.000 0.000 0.996 234 G HN 0.488 nan 8.290 nan 0.000 0.650 235 E N 1.941 122.147 120.200 0.010 0.000 2.033 235 E HA -0.022 4.319 4.350 -0.016 0.000 0.189 235 E C 1.096 177.711 176.600 0.026 0.000 0.979 235 E CA 1.049 57.458 56.400 0.015 0.000 0.802 235 E CB -0.378 29.334 29.700 0.020 0.000 0.763 235 E HN 0.760 nan 8.360 nan 0.000 0.449 236 N N 1.302 120.025 118.700 0.039 0.000 2.514 236 N HA 0.165 4.896 4.740 -0.016 0.000 0.277 236 N C -0.739 174.816 175.510 0.076 0.000 1.126 236 N CA -0.246 52.845 53.050 0.069 0.000 0.978 236 N CB 1.671 40.205 38.487 0.078 0.000 1.106 236 N HN -0.194 nan 8.380 nan 0.000 0.461 237 V N 2.431 122.419 119.914 0.124 0.000 2.405 237 V HA 0.020 4.131 4.120 -0.016 0.000 0.264 237 V C 0.765 177.008 176.094 0.248 0.000 1.048 237 V CA -0.092 62.300 62.300 0.154 0.000 0.966 237 V CB 0.994 32.924 31.823 0.178 0.000 1.015 237 V HN 0.626 nan 8.190 nan 0.000 0.477 238 V N 4.381 124.348 119.914 0.088 0.000 3.605 238 V HA 0.623 4.733 4.120 -0.016 0.000 0.284 238 V C 0.839 176.700 176.094 -0.389 0.000 1.386 238 V CA 1.198 63.513 62.300 0.024 0.000 1.053 238 V CB 0.362 32.196 31.823 0.018 0.000 0.857 238 V HN 0.928 nan 8.190 nan 0.000 0.436 239 G N -1.062 107.388 108.800 -0.583 0.000 2.550 239 G HA2 0.495 4.445 3.960 -0.016 0.000 0.293 239 G HA3 0.495 4.445 3.960 -0.016 0.000 0.293 239 G C -1.478 173.152 174.900 -0.450 0.000 1.402 239 G CA -0.265 44.240 45.100 -0.991 0.000 0.784 239 G HN 0.013 nan 8.290 nan 0.000 0.482 240 S N -0.151 115.411 115.700 -0.230 0.000 2.449 240 S HA 0.511 4.972 4.470 -0.016 0.000 0.310 240 S C -0.469 174.123 174.600 -0.013 0.000 1.096 240 S CA -0.435 57.789 58.200 0.040 0.000 1.095 240 S CB 1.751 65.082 63.200 0.218 0.000 1.007 240 S HN 0.575 nan 8.310 nan 0.000 0.474 241 E N 2.078 122.259 120.200 -0.032 0.000 2.290 241 E HA 0.345 4.685 4.350 -0.016 0.000 0.277 241 E C -0.672 175.858 176.600 -0.117 0.000 1.035 241 E CA 0.283 56.641 56.400 -0.070 0.000 0.873 241 E CB 0.564 30.227 29.700 -0.062 0.000 1.029 241 E HN 0.462 nan 8.360 nan 0.000 0.419 242 T N 4.877 119.281 114.554 -0.250 0.000 2.876 242 T HA 0.492 4.833 4.350 -0.016 0.000 0.289 242 T C -0.666 173.721 174.700 -0.521 0.000 1.014 242 T CA -0.748 61.113 62.100 -0.399 0.000 0.986 242 T CB 1.263 69.788 68.868 -0.570 0.000 1.021 242 T HN 0.313 nan 8.240 nan 0.000 0.458 243 R N 1.969 122.264 120.500 -0.341 0.000 2.534 243 R HA 0.715 5.045 4.340 -0.016 0.000 0.301 243 R C -1.732 174.459 176.300 -0.182 0.000 0.961 243 R CA -0.560 55.387 56.100 -0.255 0.000 0.871 243 R CB 1.381 31.600 30.300 -0.134 0.000 1.170 243 R HN 0.446 nan 8.270 nan 0.000 0.446 244 V N 4.477 124.322 119.914 -0.116 0.000 2.487 244 V HA 0.391 4.502 4.120 -0.016 0.000 0.298 244 V C -0.410 175.680 176.094 -0.007 0.000 1.028 244 V CA -0.860 61.423 62.300 -0.028 0.000 0.860 244 V CB 1.830 33.706 31.823 0.087 0.000 0.991 244 V HN 0.684 nan 8.190 nan 0.000 0.427 245 K N 2.947 123.334 120.400 -0.023 0.000 2.159 245 K HA 0.605 4.916 4.320 -0.016 0.000 0.266 245 K C -0.878 175.720 176.600 -0.002 0.000 0.975 245 K CA -0.703 55.592 56.287 0.013 0.000 0.865 245 K CB 2.248 34.772 32.500 0.040 0.000 1.087 245 K HN 0.462 nan 8.250 nan 0.000 0.446 246 V N 4.427 124.347 119.914 0.010 0.000 2.356 246 V HA -0.003 4.108 4.120 -0.016 0.000 0.258 246 V C 0.998 177.033 176.094 -0.099 0.000 1.065 246 V CA -0.028 62.246 62.300 -0.045 0.000 0.935 246 V CB 0.832 32.622 31.823 -0.055 0.000 1.061 246 V HN 0.682 nan 8.190 nan 0.000 0.484 247 V N 4.192 124.064 119.914 -0.070 0.000 2.878 247 V HA 0.131 4.242 4.120 -0.016 0.000 0.250 247 V C 0.894 176.870 176.094 -0.197 0.000 1.075 247 V CA 1.237 63.525 62.300 -0.020 0.000 1.096 247 V CB 0.083 31.981 31.823 0.124 0.000 0.724 247 V HN 0.804 nan 8.190 nan 0.000 0.467 248 K N 0.782 121.076 120.400 -0.178 0.000 2.501 248 K HA 0.394 4.705 4.320 -0.016 0.000 0.252 248 K C -1.597 174.902 176.600 -0.167 0.000 0.934 248 K CA -0.572 55.597 56.287 -0.198 0.000 0.797 248 K CB 1.782 34.230 32.500 -0.087 0.000 1.270 248 K HN 0.112 nan 8.250 nan 0.000 0.431 249 N N 2.988 121.579 118.700 -0.181 0.000 2.503 249 N HA 0.228 4.958 4.740 -0.016 0.000 0.287 249 N C -0.936 174.525 175.510 -0.083 0.000 1.096 249 N CA -0.386 52.594 53.050 -0.118 0.000 0.936 249 N CB 1.843 40.251 38.487 -0.131 0.000 1.570 249 N HN 0.680 nan 8.380 nan 0.000 0.504 250 K N 2.278 122.651 120.400 -0.045 0.000 2.353 250 K HA 0.288 4.599 4.320 -0.016 0.000 0.195 250 K C 1.352 177.942 176.600 -0.017 0.000 1.031 250 K CA 0.307 56.578 56.287 -0.026 0.000 1.079 250 K CB 0.362 32.856 32.500 -0.011 0.000 0.857 250 K HN 0.683 nan 8.250 nan 0.000 0.535 251 I N -4.067 116.491 120.570 -0.019 0.000 4.181 251 I HA 0.395 4.555 4.170 -0.016 0.000 0.331 251 I C 0.266 176.376 176.117 -0.012 0.000 1.312 251 I CA -0.432 60.862 61.300 -0.010 0.000 1.146 251 I CB 0.859 38.856 38.000 -0.005 0.000 1.074 251 I HN -0.169 nan 8.210 nan 0.000 0.402 252 A N 1.152 123.959 122.820 -0.021 0.000 2.536 252 A HA 0.798 5.108 4.320 -0.016 0.000 0.293 252 A C -0.666 176.899 177.584 -0.032 0.000 1.119 252 A CA -0.255 51.771 52.037 -0.018 0.000 0.654 252 A CB 0.241 19.234 19.000 -0.012 0.000 1.291 252 A HN 0.334 nan 8.150 nan 0.000 0.439 253 A N 1.257 124.065 122.820 -0.020 0.000 2.561 253 A HA 0.532 4.843 4.320 -0.016 0.000 0.234 253 A C -1.946 175.594 177.584 -0.073 0.000 1.055 253 A CA -0.044 51.979 52.037 -0.023 0.000 0.756 253 A CB -0.783 18.226 19.000 0.014 0.000 0.986 253 A HN 0.567 nan 8.150 nan 0.000 0.505 254 P HA 0.566 nan 4.420 nan 0.000 0.284 254 P C -0.180 176.983 177.300 -0.229 0.000 1.292 254 P CA -0.318 62.551 63.100 -0.385 0.000 0.800 254 P CB 0.235 31.427 31.700 -0.847 0.000 1.188 255 F N -4.510 115.446 119.950 0.010 0.000 2.699 255 F HA -0.193 4.324 4.527 -0.016 0.000 0.343 255 F C 0.673 176.477 175.800 0.006 0.000 0.633 255 F CA 0.598 58.603 58.000 0.007 0.000 1.365 255 F CB -2.433 36.571 39.000 0.007 0.000 1.795 255 F HN 0.231 nan 8.300 nan 0.000 0.304 256 K N 1.283 121.755 120.400 0.119 0.000 2.138 256 K HA 0.510 4.821 4.320 -0.016 0.000 0.251 256 K C 0.471 177.113 176.600 0.069 0.000 1.015 256 K CA -0.269 56.068 56.287 0.082 0.000 0.917 256 K CB 0.761 33.291 32.500 0.050 0.000 1.021 256 K HN 0.422 nan 8.250 nan 0.000 0.485 257 Q N -0.368 119.465 119.800 0.056 0.000 2.456 257 Q HA 0.730 5.061 4.340 -0.016 0.000 0.283 257 Q C -1.732 174.297 176.000 0.048 0.000 1.084 257 Q CA -1.296 54.534 55.803 0.046 0.000 0.801 257 Q CB 2.066 30.824 28.738 0.034 0.000 1.434 257 Q HN 0.529 nan 8.270 nan 0.000 0.419 258 A N 1.247 124.102 122.820 0.059 0.000 2.365 258 A HA 0.672 4.983 4.320 -0.016 0.000 0.318 258 A C -1.212 176.388 177.584 0.027 0.000 1.091 258 A CA -0.615 51.484 52.037 0.104 0.000 0.763 258 A CB 1.682 20.813 19.000 0.220 0.000 1.248 258 A HN 0.747 nan 8.150 nan 0.000 0.442 259 E N 0.496 120.716 120.200 0.033 0.000 2.234 259 E HA 0.654 4.995 4.350 -0.016 0.000 0.266 259 E C -1.432 175.175 176.600 0.013 0.000 0.877 259 E CA -0.304 56.030 56.400 -0.110 0.000 0.758 259 E CB 1.944 31.599 29.700 -0.074 0.000 1.170 259 E HN 0.612 nan 8.360 nan 0.000 0.415 260 F N -0.921 119.023 119.950 -0.010 0.000 2.779 260 F HA 0.444 4.961 4.527 -0.016 0.000 0.316 260 F C -1.145 174.650 175.800 -0.008 0.000 1.164 260 F CA -1.212 56.779 58.000 -0.016 0.000 0.924 260 F CB 0.917 39.907 39.000 -0.015 0.000 1.348 260 F HN 0.149 nan 8.300 nan 0.000 0.467 261 Q N 1.291 121.268 119.800 0.294 0.000 2.245 261 Q HA 0.652 4.983 4.340 -0.016 0.000 0.256 261 Q C -1.150 175.017 176.000 0.278 0.000 0.942 261 Q CA -0.766 55.137 55.803 0.166 0.000 0.896 261 Q CB 2.850 31.630 28.738 0.071 0.000 1.272 261 Q HN 0.583 nan 8.270 nan 0.000 0.442 262 I N 3.508 124.186 120.570 0.180 0.000 2.328 262 I HA 0.236 4.396 4.170 -0.016 0.000 0.287 262 I C -0.637 175.474 176.117 -0.010 0.000 1.012 262 I CA -0.432 60.971 61.300 0.173 0.000 1.195 262 I CB 0.683 38.835 38.000 0.254 0.000 1.350 262 I HN 0.353 nan 8.210 nan 0.000 0.464 263 L N 6.968 128.192 121.223 0.003 0.000 2.276 263 L HA 0.351 4.681 4.340 -0.016 0.000 0.286 263 L C -0.585 176.313 176.870 0.047 0.000 1.061 263 L CA -0.880 53.904 54.840 -0.092 0.000 0.807 263 L CB 0.326 42.375 42.059 -0.017 0.000 1.177 263 L HN 0.377 nan 8.230 nan 0.000 0.429 264 Y N 1.626 122.021 120.300 0.159 0.000 2.610 264 Y HA 0.206 4.747 4.550 -0.016 0.000 0.332 264 Y C 1.503 177.531 175.900 0.214 0.000 1.201 264 Y CA 0.196 58.420 58.100 0.207 0.000 1.465 264 Y CB 0.028 38.579 38.460 0.152 0.000 1.283 264 Y HN 0.856 nan 8.280 nan 0.000 0.563 265 G N 1.693 110.806 108.800 0.522 0.000 2.168 265 G HA2 -0.371 3.579 3.960 -0.016 0.000 0.263 265 G HA3 -0.371 3.579 3.960 -0.016 0.000 0.263 265 G C 0.772 175.711 174.900 0.064 0.000 0.977 265 G CA 0.875 46.151 45.100 0.293 0.000 0.659 265 G HN 0.725 nan 8.290 nan 0.000 0.533 266 E N -1.741 118.497 120.200 0.063 0.000 2.571 266 E HA 0.453 4.794 4.350 -0.016 0.000 0.204 266 E C 1.357 177.951 176.600 -0.010 0.000 0.851 266 E CA 1.179 57.589 56.400 0.015 0.000 1.358 266 E CB 0.502 30.232 29.700 0.051 0.000 1.327 266 E HN 1.752 nan 8.360 nan 0.000 0.665 267 G N 0.963 109.787 108.800 0.041 0.000 2.428 267 G HA2 -0.171 3.779 3.960 -0.016 0.000 0.202 267 G HA3 -0.171 3.779 3.960 -0.016 0.000 0.202 267 G C -0.602 174.340 174.900 0.071 0.000 1.247 267 G CA -0.414 44.711 45.100 0.042 0.000 1.020 267 G HN 0.175 nan 8.290 nan 0.000 0.529 268 I N 1.688 122.281 120.570 0.038 0.000 2.752 268 I HA -0.022 4.139 4.170 -0.016 0.000 0.286 268 I C 0.945 177.092 176.117 0.049 0.000 1.180 268 I CA -0.081 61.230 61.300 0.018 0.000 1.404 268 I CB 0.353 38.243 38.000 -0.183 0.000 1.389 268 I HN 0.473 nan 8.210 nan 0.000 0.549 269 N N 6.872 125.627 118.700 0.092 0.000 2.598 269 N HA -0.139 4.591 4.740 -0.016 0.000 0.300 269 N C 0.689 176.237 175.510 0.063 0.000 1.224 269 N CA 0.383 53.488 53.050 0.092 0.000 1.125 269 N CB -0.196 38.340 38.487 0.082 0.000 1.468 269 N HN 0.514 nan 8.380 nan 0.000 0.504 270 F N 2.845 122.723 119.950 -0.120 0.000 2.102 270 F HA -0.184 4.334 4.527 -0.016 0.000 0.298 270 F C 0.978 176.646 175.800 -0.220 0.000 1.105 270 F CA 1.504 59.358 58.000 -0.242 0.000 1.239 270 F CB -0.170 38.587 39.000 -0.405 0.000 0.991 270 F HN 0.383 nan 8.300 nan 0.000 0.474 271 Y N 0.478 120.833 120.300 0.091 0.000 2.352 271 Y HA 0.020 4.561 4.550 -0.016 0.000 0.292 271 Y C 2.628 178.469 175.900 -0.099 0.000 1.136 271 Y CA 0.926 59.020 58.100 -0.010 0.000 1.227 271 Y CB -1.276 37.229 38.460 0.075 0.000 0.991 271 Y HN 0.147 nan 8.280 nan 0.000 0.545 272 G N -0.005 108.826 108.800 0.052 0.000 2.433 272 G HA2 -0.252 3.698 3.960 -0.016 0.000 0.216 272 G HA3 -0.252 3.698 3.960 -0.016 0.000 0.216 272 G C 1.491 176.354 174.900 -0.063 0.000 1.186 272 G CA 1.056 46.153 45.100 -0.006 0.000 0.779 272 G HN 0.397 nan 8.290 nan 0.000 0.543 273 E N -0.275 119.850 120.200 -0.125 0.000 2.070 273 E HA -0.158 4.182 4.350 -0.016 0.000 0.197 273 E C 2.401 178.880 176.600 -0.201 0.000 1.004 273 E CA 0.926 57.227 56.400 -0.166 0.000 0.805 273 E CB -0.233 29.306 29.700 -0.268 0.000 0.744 273 E HN 0.302 nan 8.360 nan 0.000 0.451 274 L N 0.675 121.716 121.223 -0.304 0.000 2.042 274 L HA -0.182 4.149 4.340 -0.016 0.000 0.210 274 L C 2.214 179.038 176.870 -0.076 0.000 1.076 274 L CA 1.385 56.091 54.840 -0.222 0.000 0.749 274 L CB -0.413 41.520 42.059 -0.210 0.000 0.893 274 L HN -0.023 nan 8.230 nan 0.000 0.432 275 V N -0.187 119.696 119.914 -0.051 0.000 2.220 275 V HA -0.335 3.775 4.120 -0.016 0.000 0.246 275 V C 2.326 178.427 176.094 0.012 0.000 1.049 275 V CA 2.089 64.368 62.300 -0.037 0.000 1.003 275 V CB -0.797 30.944 31.823 -0.136 0.000 0.634 275 V HN 0.425 nan 8.190 nan 0.000 0.444 276 D N -0.068 120.333 120.400 0.001 0.000 2.116 276 D HA -0.161 4.469 4.640 -0.016 0.000 0.193 276 D C 2.047 178.365 176.300 0.030 0.000 0.998 276 D CA 1.155 55.175 54.000 0.034 0.000 0.836 276 D CB -0.364 40.446 40.800 0.017 0.000 0.951 276 D HN 0.162 nan 8.370 nan 0.000 0.449 277 L N 0.642 121.863 121.223 -0.004 0.000 2.046 277 L HA -0.038 4.293 4.340 -0.016 0.000 0.208 277 L C 2.537 179.422 176.870 0.025 0.000 1.077 277 L CA 1.679 56.518 54.840 -0.002 0.000 0.747 277 L CB -1.645 40.391 42.059 -0.040 0.000 0.896 277 L HN 0.083 nan 8.230 nan 0.000 0.432 278 G N -1.031 107.788 108.800 0.032 0.000 2.446 278 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.217 278 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.217 278 G C 1.760 176.720 174.900 0.099 0.000 1.168 278 G CA 1.052 46.194 45.100 0.070 0.000 0.771 278 G HN 0.272 nan 8.290 nan 0.000 0.551 279 V N 0.824 120.806 119.914 0.113 0.000 2.295 279 V HA -0.153 3.957 4.120 -0.016 0.000 0.246 279 V C 2.702 178.843 176.094 0.078 0.000 1.049 279 V CA 2.221 64.594 62.300 0.122 0.000 1.024 279 V CB -0.389 31.536 31.823 0.171 0.000 0.648 279 V HN 0.404 nan 8.190 nan 0.000 0.447 280 K N -0.142 120.296 120.400 0.063 0.000 2.103 280 K HA -0.197 4.113 4.320 -0.016 0.000 0.207 280 K C 1.741 178.366 176.600 0.041 0.000 1.048 280 K CA 1.439 57.753 56.287 0.044 0.000 0.930 280 K CB -0.015 32.506 32.500 0.035 0.000 0.716 280 K HN 0.368 nan 8.250 nan 0.000 0.444 281 E N 0.758 120.987 120.200 0.047 0.000 2.476 281 E HA -0.011 4.330 4.350 -0.016 0.000 0.191 281 E C -0.229 176.403 176.600 0.054 0.000 1.064 281 E CA 0.136 56.564 56.400 0.046 0.000 0.866 281 E CB 0.469 30.197 29.700 0.046 0.000 0.952 281 E HN 0.186 nan 8.360 nan 0.000 0.492 282 K N -0.150 120.286 120.400 0.059 0.000 3.160 282 K HA -0.194 4.116 4.320 -0.016 0.000 0.280 282 K C 0.890 177.536 176.600 0.077 0.000 1.154 282 K CA 0.457 56.778 56.287 0.058 0.000 0.822 282 K CB -2.128 30.394 32.500 0.037 0.000 1.239 282 K HN 0.255 nan 8.250 nan 0.000 0.489 283 L N -0.564 120.728 121.223 0.114 0.000 2.298 283 L HA 0.236 4.566 4.340 -0.016 0.000 0.209 283 L C 1.152 178.179 176.870 0.261 0.000 1.084 283 L CA 0.436 55.384 54.840 0.179 0.000 0.816 283 L CB 0.175 42.358 42.059 0.207 0.000 0.967 283 L HN 0.102 nan 8.230 nan 0.000 0.460 284 I N 0.004 120.706 120.570 0.220 0.000 2.404 284 I HA 0.202 4.363 4.170 -0.016 0.000 0.293 284 I C -0.182 176.031 176.117 0.161 0.000 0.992 284 I CA -0.549 60.900 61.300 0.247 0.000 1.149 284 I CB 2.031 40.178 38.000 0.245 0.000 1.315 284 I HN -0.080 nan 8.210 nan 0.000 0.446 285 E N 6.040 126.314 120.200 0.123 0.000 2.301 285 E HA 0.266 4.606 4.350 -0.016 0.000 0.275 285 E C -0.761 175.845 176.600 0.010 0.000 1.030 285 E CA -0.340 56.090 56.400 0.050 0.000 0.852 285 E CB 1.014 30.724 29.700 0.017 0.000 1.060 285 E HN 0.318 nan 8.360 nan 0.000 0.401 286 K N 2.744 123.104 120.400 -0.065 0.000 2.616 286 K HA 0.526 4.836 4.320 -0.016 0.000 0.241 286 K C -1.720 174.793 176.600 -0.144 0.000 0.961 286 K CA -0.634 55.520 56.287 -0.223 0.000 0.942 286 K CB 1.082 33.380 32.500 -0.336 0.000 1.153 286 K HN 0.506 nan 8.250 nan 0.000 0.452 287 A N 3.383 126.148 122.820 -0.092 0.000 2.444 287 A HA 0.603 4.913 4.320 -0.016 0.000 0.332 287 A C 0.799 178.378 177.584 -0.009 0.000 1.430 287 A CA 0.383 52.401 52.037 -0.032 0.000 0.975 287 A CB 0.111 19.111 19.000 0.000 0.000 1.147 287 A HN 1.021 nan 8.150 nan 0.000 0.524 288 G N 1.958 110.729 108.800 -0.048 0.000 2.687 288 G HA2 -0.070 3.880 3.960 -0.016 0.000 0.303 288 G HA3 -0.070 3.880 3.960 -0.016 0.000 0.303 288 G C 1.291 176.123 174.900 -0.113 0.000 1.209 288 G CA 0.893 45.966 45.100 -0.045 0.000 0.968 288 G HN 1.986 nan 8.290 nan 0.000 0.549 289 A N -0.876 121.881 122.820 -0.104 0.000 2.303 289 A HA 0.517 4.827 4.320 -0.016 0.000 0.217 289 A C 0.607 178.030 177.584 -0.268 0.000 1.205 289 A CA 0.451 52.372 52.037 -0.194 0.000 0.875 289 A CB 0.057 18.939 19.000 -0.197 0.000 0.910 289 A HN 0.566 nan 8.150 nan 0.000 0.501 290 W N -0.111 121.095 121.300 -0.155 0.000 2.335 290 W HA 0.504 5.155 4.660 -0.016 0.000 0.306 290 W C -0.737 175.658 176.519 -0.207 0.000 1.216 290 W CA -0.084 57.200 57.345 -0.101 0.000 1.237 290 W CB 0.365 29.784 29.460 -0.069 0.000 1.243 290 W HN 0.233 nan 8.180 nan 0.000 0.493 291 Y N 2.584 123.023 120.300 0.233 0.000 2.330 291 Y HA 0.448 4.988 4.550 -0.016 0.000 0.336 291 Y C 0.496 176.452 175.900 0.095 0.000 1.036 291 Y CA -0.340 57.830 58.100 0.118 0.000 1.125 291 Y CB 1.389 39.876 38.460 0.044 0.000 1.194 291 Y HN 0.139 nan 8.280 nan 0.000 0.469 292 S N 2.449 118.253 115.700 0.173 0.000 2.526 292 S HA 0.422 4.883 4.470 -0.016 0.000 0.293 292 S C -1.956 172.709 174.600 0.108 0.000 1.092 292 S CA -0.801 57.437 58.200 0.064 0.000 0.980 292 S CB 1.361 64.565 63.200 0.007 0.000 1.048 292 S HN 0.493 nan 8.310 nan 0.000 0.483 293 Y N 2.641 122.869 120.300 -0.119 0.000 2.350 293 Y HA 0.376 4.916 4.550 -0.016 0.000 0.338 293 Y C 0.145 176.020 175.900 -0.041 0.000 0.961 293 Y CA -1.056 57.005 58.100 -0.064 0.000 1.100 293 Y CB 0.686 39.105 38.460 -0.069 0.000 1.179 293 Y HN 0.797 nan 8.280 nan 0.000 0.454 294 K N 4.859 124.923 120.400 -0.561 0.000 3.177 294 K HA -0.274 4.037 4.320 -0.016 0.000 0.266 294 K C 0.961 177.439 176.600 -0.204 0.000 0.937 294 K CA 1.018 57.042 56.287 -0.439 0.000 0.702 294 K CB -1.670 30.481 32.500 -0.582 0.000 1.365 294 K HN 1.294 nan 8.250 nan 0.000 0.466 295 G N -0.121 108.593 108.800 -0.142 0.000 2.320 295 G HA2 -0.349 3.602 3.960 -0.016 0.000 0.242 295 G HA3 -0.349 3.602 3.960 -0.016 0.000 0.242 295 G C -0.104 174.738 174.900 -0.097 0.000 1.033 295 G CA 0.434 45.473 45.100 -0.102 0.000 0.620 295 G HN 0.462 nan 8.290 nan 0.000 0.517 296 E N 1.552 121.697 120.200 -0.091 0.000 2.200 296 E HA 0.377 4.718 4.350 -0.016 0.000 0.283 296 E C 0.078 176.595 176.600 -0.137 0.000 1.015 296 E CA -0.507 55.838 56.400 -0.093 0.000 0.819 296 E CB 0.423 30.098 29.700 -0.042 0.000 1.081 296 E HN 0.369 nan 8.360 nan 0.000 0.397 297 K N 4.161 124.470 120.400 -0.152 0.000 2.412 297 K HA 0.074 4.385 4.320 -0.016 0.000 0.281 297 K C 1.163 177.647 176.600 -0.193 0.000 1.027 297 K CA 0.187 56.398 56.287 -0.126 0.000 0.989 297 K CB 0.525 32.886 32.500 -0.231 0.000 0.935 297 K HN 0.535 nan 8.250 nan 0.000 0.475 298 I N -1.499 118.937 120.570 -0.224 0.000 4.187 298 I HA 0.329 4.489 4.170 -0.016 0.000 0.326 298 I C 0.565 176.571 176.117 -0.184 0.000 1.302 298 I CA -0.318 60.589 61.300 -0.654 0.000 1.196 298 I CB 1.024 38.329 38.000 -1.158 0.000 1.095 298 I HN 0.567 nan 8.210 nan 0.000 0.411 299 G N 1.350 110.237 108.800 0.146 0.000 2.384 299 G HA2 0.184 4.135 3.960 -0.016 0.000 0.300 299 G HA3 0.184 4.135 3.960 -0.016 0.000 0.300 299 G C -2.090 172.791 174.900 -0.031 0.000 1.582 299 G CA -0.694 44.474 45.100 0.113 0.000 0.875 299 G HN 0.208 nan 8.290 nan 0.000 0.628 300 Q N 0.389 119.886 119.800 -0.505 0.000 2.303 300 Q HA 0.554 4.885 4.340 -0.016 0.000 0.257 300 Q C 0.456 176.287 176.000 -0.282 0.000 0.941 300 Q CA 0.549 55.873 55.803 -0.799 0.000 0.931 300 Q CB 1.105 29.020 28.738 -1.372 0.000 1.215 300 Q HN 2.397 nan 8.270 nan 0.000 0.437 301 G N 3.010 111.781 108.800 -0.047 0.000 2.722 301 G HA2 -0.255 3.695 3.960 -0.016 0.000 0.686 301 G HA3 -0.255 3.695 3.960 -0.016 0.000 0.686 301 G C 0.017 174.940 174.900 0.039 0.000 1.282 301 G CA -0.025 45.114 45.100 0.064 0.000 0.817 301 G HN 0.797 nan 8.290 nan 0.000 0.605 302 K N 0.996 121.409 120.400 0.021 0.000 2.074 302 K HA -0.053 4.258 4.320 -0.016 0.000 0.209 302 K C 2.983 179.468 176.600 -0.193 0.000 1.048 302 K CA 2.548 58.693 56.287 -0.237 0.000 0.926 302 K CB -0.356 32.098 32.500 -0.077 0.000 0.713 302 K HN 1.188 nan 8.250 nan 0.000 0.444 303 A N 1.275 124.040 122.820 -0.091 0.000 1.892 303 A HA -0.261 4.049 4.320 -0.016 0.000 0.218 303 A C 1.794 179.342 177.584 -0.060 0.000 1.188 303 A CA 2.171 54.172 52.037 -0.061 0.000 0.631 303 A CB -0.875 18.102 19.000 -0.038 0.000 0.822 303 A HN 0.563 nan 8.150 nan 0.000 0.447 304 N N -0.511 118.148 118.700 -0.068 0.000 2.216 304 N HA 0.020 4.751 4.740 -0.016 0.000 0.183 304 N C 2.007 177.513 175.510 -0.006 0.000 1.017 304 N CA 0.770 53.801 53.050 -0.031 0.000 0.861 304 N CB -0.202 38.259 38.487 -0.043 0.000 0.986 304 N HN 0.500 nan 8.380 nan 0.000 0.428 305 A N 0.853 123.606 122.820 -0.112 0.000 1.902 305 A HA -0.146 4.165 4.320 -0.016 0.000 0.217 305 A C 2.278 179.848 177.584 -0.023 0.000 1.181 305 A CA 1.730 53.693 52.037 -0.124 0.000 0.623 305 A CB -1.019 17.668 19.000 -0.522 0.000 0.818 305 A HN 0.206 nan 8.150 nan 0.000 0.443 306 T N 0.519 115.024 114.554 -0.080 0.000 2.684 306 T HA -0.087 4.254 4.350 -0.016 0.000 0.267 306 T C 2.232 176.914 174.700 -0.030 0.000 1.036 306 T CA 1.808 63.895 62.100 -0.020 0.000 1.148 306 T CB -0.576 68.285 68.868 -0.011 0.000 0.863 306 T HN 0.626 nan 8.240 nan 0.000 0.436 307 A N 0.308 123.120 122.820 -0.012 0.000 1.940 307 A HA -0.142 4.168 4.320 -0.016 0.000 0.219 307 A C 2.058 179.627 177.584 -0.024 0.000 1.176 307 A CA 1.683 53.704 52.037 -0.026 0.000 0.631 307 A CB -1.169 17.835 19.000 0.008 0.000 0.814 307 A HN 0.716 nan 8.150 nan 0.000 0.446 308 W N 0.430 121.661 121.300 -0.115 0.000 2.381 308 W HA -0.112 4.539 4.660 -0.016 0.000 0.301 308 W C 1.826 178.253 176.519 -0.154 0.000 1.205 308 W CA 1.821 59.109 57.345 -0.096 0.000 1.285 308 W CB -0.254 29.182 29.460 -0.040 0.000 1.133 308 W HN 0.254 nan 8.180 nan 0.000 0.521 309 L N 0.531 121.742 121.223 -0.019 0.000 2.046 309 L HA -0.223 4.107 4.340 -0.016 0.000 0.208 309 L C 2.569 179.032 176.870 -0.678 0.000 1.077 309 L CA 1.604 56.288 54.840 -0.261 0.000 0.747 309 L CB -0.927 41.113 42.059 -0.030 0.000 0.896 309 L HN -0.092 nan 8.230 nan 0.000 0.432 310 K N -0.083 119.809 120.400 -0.848 0.000 2.113 310 K HA -0.251 4.060 4.320 -0.016 0.000 0.208 310 K C 1.589 177.884 176.600 -0.509 0.000 1.047 310 K CA 1.904 57.637 56.287 -0.923 0.000 0.928 310 K CB -0.013 32.178 32.500 -0.515 0.000 0.716 310 K HN 0.187 nan 8.250 nan 0.000 0.446 311 D N -0.242 119.891 120.400 -0.445 0.000 2.249 311 D HA -0.029 4.601 4.640 -0.016 0.000 0.205 311 D C -0.418 175.610 176.300 -0.454 0.000 0.962 311 D CA 0.679 54.451 54.000 -0.379 0.000 0.860 311 D CB 0.199 40.797 40.800 -0.337 0.000 0.955 311 D HN 0.100 nan 8.370 nan 0.000 0.505 312 N N -0.003 118.315 118.700 -0.637 0.000 2.976 312 N HA 0.212 4.942 4.740 -0.016 0.000 0.255 312 N C -2.165 173.120 175.510 -0.375 0.000 1.312 312 N CA -1.132 51.559 53.050 -0.599 0.000 0.897 312 N CB 1.780 39.629 38.487 -1.064 0.000 1.184 312 N HN 0.009 nan 8.380 nan 0.000 0.497 313 P HA -0.117 nan 4.420 nan 0.000 0.221 313 P C 0.893 178.165 177.300 -0.047 0.000 1.150 313 P CA 1.054 64.096 63.100 -0.097 0.000 0.800 313 P CB 0.464 32.127 31.700 -0.062 0.000 0.787 314 E N -0.521 119.636 120.200 -0.071 0.000 2.072 314 E HA -0.101 4.239 4.350 -0.016 0.000 0.191 314 E C 1.827 178.421 176.600 -0.009 0.000 0.985 314 E CA 1.475 57.858 56.400 -0.028 0.000 0.801 314 E CB -1.765 27.919 29.700 -0.026 0.000 0.750 314 E HN 0.249 nan 8.360 nan 0.000 0.452 315 T N 1.746 116.274 114.554 -0.042 0.000 2.821 315 T HA -0.024 4.317 4.350 -0.016 0.000 0.267 315 T C 2.051 176.728 174.700 -0.039 0.000 1.046 315 T CA 1.401 63.493 62.100 -0.014 0.000 1.139 315 T CB -0.255 68.612 68.868 -0.003 0.000 0.871 315 T HN 0.315 nan 8.240 nan 0.000 0.454 316 A N 2.198 125.002 122.820 -0.026 0.000 1.883 316 A HA -0.157 4.153 4.320 -0.016 0.000 0.217 316 A C 2.303 179.952 177.584 0.108 0.000 1.186 316 A CA 1.326 53.413 52.037 0.083 0.000 0.624 316 A CB -0.354 18.785 19.000 0.232 0.000 0.822 316 A HN 0.203 nan 8.150 nan 0.000 0.444 317 K N -0.160 120.291 120.400 0.085 0.000 2.063 317 K HA -0.191 4.120 4.320 -0.016 0.000 0.208 317 K C 1.921 178.559 176.600 0.064 0.000 1.048 317 K CA 1.673 58.004 56.287 0.073 0.000 0.928 317 K CB -0.566 31.960 32.500 0.044 0.000 0.713 317 K HN 0.799 nan 8.250 nan 0.000 0.442 318 E N 0.633 120.867 120.200 0.057 0.000 2.058 318 E HA -0.157 4.183 4.350 -0.016 0.000 0.194 318 E C 2.108 178.753 176.600 0.075 0.000 0.997 318 E CA 1.065 57.509 56.400 0.074 0.000 0.801 318 E CB -0.051 29.712 29.700 0.104 0.000 0.746 318 E HN 0.234 nan 8.360 nan 0.000 0.450 319 I N 0.951 121.543 120.570 0.037 0.000 2.226 319 I HA -0.239 3.921 4.170 -0.016 0.000 0.245 319 I C 2.724 178.870 176.117 0.048 0.000 1.100 319 I CA 1.257 62.575 61.300 0.030 0.000 1.374 319 I CB -0.383 37.578 38.000 -0.065 0.000 1.057 319 I HN 0.261 nan 8.210 nan 0.000 0.413 320 E N 1.584 121.819 120.200 0.059 0.000 2.077 320 E HA -0.304 4.036 4.350 -0.016 0.000 0.193 320 E C 2.228 178.863 176.600 0.060 0.000 0.989 320 E CA 1.447 57.887 56.400 0.066 0.000 0.800 320 E CB 0.017 29.797 29.700 0.134 0.000 0.746 320 E HN 0.331 nan 8.360 nan 0.000 0.452 321 K N 0.691 121.128 120.400 0.061 0.000 2.063 321 K HA -0.203 4.107 4.320 -0.016 0.000 0.208 321 K C 2.101 178.731 176.600 0.049 0.000 1.048 321 K CA 1.697 58.015 56.287 0.052 0.000 0.928 321 K CB 0.064 32.594 32.500 0.050 0.000 0.713 321 K HN -0.044 nan 8.250 nan 0.000 0.442 322 K N -0.046 120.389 120.400 0.059 0.000 2.057 322 K HA -0.070 4.241 4.320 -0.016 0.000 0.206 322 K C 1.952 178.581 176.600 0.049 0.000 1.050 322 K CA 1.197 57.520 56.287 0.060 0.000 0.935 322 K CB 0.049 32.599 32.500 0.083 0.000 0.715 322 K HN -0.036 nan 8.250 nan 0.000 0.439 323 V N 1.337 121.277 119.914 0.044 0.000 2.343 323 V HA -0.265 3.846 4.120 -0.016 0.000 0.247 323 V C 2.179 178.287 176.094 0.024 0.000 1.051 323 V CA 1.720 64.037 62.300 0.029 0.000 1.036 323 V CB -0.436 31.393 31.823 0.010 0.000 0.654 323 V HN 0.272 nan 8.190 nan 0.000 0.451 324 R N -0.267 120.249 120.500 0.027 0.000 2.066 324 R HA -0.147 4.184 4.340 -0.016 0.000 0.232 324 R C 2.355 178.670 176.300 0.024 0.000 1.131 324 R CA 1.620 57.735 56.100 0.025 0.000 0.955 324 R CB -0.302 30.016 30.300 0.030 0.000 0.851 324 R HN 0.596 nan 8.270 nan 0.000 0.432 325 E N 0.601 120.818 120.200 0.028 0.000 2.085 325 E HA -0.204 4.136 4.350 -0.016 0.000 0.194 325 E C 1.984 178.599 176.600 0.025 0.000 0.994 325 E CA 1.123 57.539 56.400 0.027 0.000 0.801 325 E CB -0.073 29.645 29.700 0.030 0.000 0.743 325 E HN 0.287 nan 8.360 nan 0.000 0.453 326 L N 0.001 121.240 121.223 0.027 0.000 2.156 326 L HA -0.112 4.219 4.340 -0.016 0.000 0.208 326 L C 2.029 178.912 176.870 0.022 0.000 1.095 326 L CA 0.785 55.640 54.840 0.026 0.000 0.770 326 L CB 0.067 42.144 42.059 0.030 0.000 0.914 326 L HN 0.150 nan 8.230 nan 0.000 0.439 327 L N -1.385 119.850 121.223 0.020 0.000 2.672 327 L HA 0.190 4.521 4.340 -0.016 0.000 0.236 327 L C 0.386 177.266 176.870 0.016 0.000 1.092 327 L CA -0.267 54.583 54.840 0.017 0.000 0.887 327 L CB 0.504 42.572 42.059 0.015 0.000 1.168 327 L HN 0.052 nan 8.230 nan 0.000 0.502 328 L N 0.251 121.484 121.223 0.016 0.000 2.360 328 L HA 0.088 4.419 4.340 -0.016 0.000 0.276 328 L C 1.650 178.529 176.870 0.014 0.000 1.121 328 L CA 0.015 54.864 54.840 0.014 0.000 0.845 328 L CB 1.587 43.654 42.059 0.014 0.000 1.143 328 L HN 0.081 nan 8.230 nan 0.000 0.452 329 S N 3.514 119.222 115.700 0.013 0.000 2.348 329 S HA -0.062 4.399 4.470 -0.016 0.000 0.221 329 S C 0.895 175.502 174.600 0.011 0.000 1.033 329 S CA 0.755 58.962 58.200 0.012 0.000 1.010 329 S CB 0.077 63.284 63.200 0.011 0.000 0.891 329 S HN 0.712 nan 8.310 nan 0.000 0.442 330 N N 2.166 120.872 118.700 0.009 0.000 2.443 330 N HA 0.403 5.133 4.740 -0.016 0.000 0.295 330 N C -3.015 172.501 175.510 0.009 0.000 1.076 330 N CA -1.448 51.607 53.050 0.008 0.000 0.919 330 N CB 1.584 40.075 38.487 0.006 0.000 1.176 330 N HN 0.266 nan 8.380 nan 0.000 0.487 331 P HA 0.349 nan 4.420 nan 0.000 0.251 331 P C -0.631 176.674 177.300 0.007 0.000 1.718 331 P CA -0.213 62.892 63.100 0.009 0.000 1.119 331 P CB 0.351 32.057 31.700 0.010 0.000 1.762 332 N N 0.415 119.119 118.700 0.007 0.000 3.384 332 N HA 0.416 5.146 4.740 -0.016 0.000 0.352 332 N C 0.111 175.623 175.510 0.003 0.000 1.466 332 N CA -0.406 52.647 53.050 0.005 0.000 0.629 332 N CB 0.340 38.829 38.487 0.004 0.000 1.810 332 N HN 0.312 nan 8.380 nan 0.000 0.575 1002 I N 1.517 122.086 120.570 -0.002 0.000 2.406 1002 I HA -0.049 4.111 4.170 -0.016 0.000 0.249 1002 I C 1.915 178.031 176.117 -0.003 0.000 1.122 1002 I CA 1.662 62.961 61.300 -0.002 0.000 1.431 1002 I CB -0.111 37.887 38.000 -0.002 0.000 1.087 1002 I HN 0.481 nan 8.210 nan 0.000 0.424 1003 D N 0.436 120.835 120.400 -0.003 0.000 2.354 1003 D HA -0.090 4.541 4.640 -0.016 0.000 0.209 1003 D C 1.576 177.874 176.300 -0.003 0.000 1.015 1003 D CA 0.530 54.528 54.000 -0.004 0.000 0.867 1003 D CB -0.192 40.605 40.800 -0.005 0.000 0.933 1003 D HN 0.352 nan 8.370 nan 0.000 0.520 1004 E N -0.064 120.134 120.200 -0.002 0.000 2.299 1004 E HA 0.033 4.374 4.350 -0.016 0.000 0.193 1004 E C 1.470 178.070 176.600 -0.001 0.000 0.998 1004 E CA 0.132 56.531 56.400 -0.002 0.000 0.851 1004 E CB 0.131 29.829 29.700 -0.002 0.000 0.795 1004 E HN 0.146 nan 8.360 nan 0.000 0.492 1005 N N 0.879 119.578 118.700 -0.001 0.000 2.300 1005 N HA -0.078 4.653 4.740 -0.016 0.000 0.179 1005 N C 1.371 176.881 175.510 -0.000 0.000 1.016 1005 N CA 0.807 53.856 53.050 -0.000 0.000 0.876 1005 N CB 0.090 38.577 38.487 -0.000 0.000 0.979 1005 N HN 0.109 nan 8.380 nan 0.000 0.432 1006 K N 1.080 121.480 120.400 -0.001 0.000 2.002 1006 K HA -0.095 4.216 4.320 -0.016 0.000 0.209 1006 K C 2.030 178.630 176.600 -0.000 0.000 1.048 1006 K CA 1.167 57.454 56.287 -0.001 0.000 0.930 1006 K CB -0.092 32.406 32.500 -0.002 0.000 0.714 1006 K HN 0.257 nan 8.250 nan 0.000 0.438 1007 Q N 0.593 120.393 119.800 -0.001 0.000 2.119 1007 Q HA -0.157 4.174 4.340 -0.016 0.000 0.201 1007 Q C 2.163 178.164 176.000 0.001 0.000 0.972 1007 Q CA 1.163 56.966 55.803 -0.000 0.000 0.847 1007 Q CB 0.001 28.738 28.738 -0.001 0.000 0.903 1007 Q HN 0.210 nan 8.270 nan 0.000 0.433 1008 K N 0.768 121.169 120.400 0.001 0.000 2.009 1008 K HA -0.164 4.146 4.320 -0.016 0.000 0.210 1008 K C 1.965 178.566 176.600 0.002 0.000 1.049 1008 K CA 1.432 57.720 56.287 0.001 0.000 0.929 1008 K CB -0.157 32.343 32.500 0.001 0.000 0.714 1008 K HN 0.152 nan 8.250 nan 0.000 0.440 1009 A N 1.367 124.189 122.820 0.003 0.000 1.969 1009 A HA -0.099 4.211 4.320 -0.016 0.000 0.218 1009 A C 2.065 179.652 177.584 0.005 0.000 1.169 1009 A CA 1.018 53.057 52.037 0.004 0.000 0.635 1009 A CB -0.455 18.547 19.000 0.003 0.000 0.810 1009 A HN 0.393 nan 8.150 nan 0.000 0.445 1010 L N -0.097 121.128 121.223 0.005 0.000 1.976 1010 L HA -0.050 4.281 4.340 -0.016 0.000 0.209 1010 L C 2.721 179.597 176.870 0.009 0.000 1.071 1010 L CA 2.279 57.122 54.840 0.006 0.000 0.746 1010 L CB -0.860 41.201 42.059 0.004 0.000 0.890 1010 L HN 0.324 nan 8.230 nan 0.000 0.432 1011 A N -0.470 122.354 122.820 0.007 0.000 1.917 1011 A HA -0.192 4.118 4.320 -0.016 0.000 0.219 1011 A C 2.435 180.024 177.584 0.009 0.000 1.182 1011 A CA 2.169 54.211 52.037 0.008 0.000 0.633 1011 A CB -1.279 17.725 19.000 0.005 0.000 0.819 1011 A HN 0.622 nan 8.150 nan 0.000 0.448 1012 A N -0.268 122.557 122.820 0.007 0.000 1.877 1012 A HA 0.167 4.478 4.320 -0.016 0.000 0.216 1012 A C 2.537 180.127 177.584 0.011 0.000 1.186 1012 A CA 2.178 54.219 52.037 0.007 0.000 0.620 1012 A CB -1.083 17.920 19.000 0.005 0.000 0.822 1012 A HN 1.103 nan 8.150 nan 0.000 0.443 1013 A N -0.781 122.048 122.820 0.014 0.000 1.902 1013 A HA 0.003 4.314 4.320 -0.016 0.000 0.217 1013 A C 2.045 179.648 177.584 0.032 0.000 1.181 1013 A CA 1.687 53.737 52.037 0.022 0.000 0.623 1013 A CB -0.559 18.454 19.000 0.022 0.000 0.818 1013 A HN 0.390 nan 8.150 nan 0.000 0.443 1014 L N -0.062 121.177 121.223 0.028 0.000 2.017 1014 L HA -0.088 4.243 4.340 -0.016 0.000 0.208 1014 L C 2.764 179.655 176.870 0.034 0.000 1.073 1014 L CA 2.028 56.888 54.840 0.034 0.000 0.745 1014 L CB -1.248 40.826 42.059 0.024 0.000 0.894 1014 L HN 0.399 nan 8.230 nan 0.000 0.432 1015 G N -1.759 107.054 108.800 0.022 0.000 2.442 1015 G HA2 -0.355 3.596 3.960 -0.016 0.000 0.219 1015 G HA3 -0.355 3.596 3.960 -0.016 0.000 0.219 1015 G C 1.575 176.481 174.900 0.010 0.000 1.141 1015 G CA 0.933 46.042 45.100 0.015 0.000 0.763 1015 G HN 0.391 nan 8.290 nan 0.000 0.554 1016 Q N 0.298 120.104 119.800 0.010 0.000 2.046 1016 Q HA 0.017 4.348 4.340 -0.016 0.000 0.200 1016 Q C 2.437 178.437 176.000 0.000 0.000 0.975 1016 Q CA 1.217 57.018 55.803 -0.004 0.000 0.836 1016 Q CB -0.362 28.377 28.738 0.002 0.000 0.896 1016 Q HN 0.552 nan 8.270 nan 0.000 0.428 1017 I N 0.445 121.054 120.570 0.066 0.000 2.208 1017 I HA -0.279 3.882 4.170 -0.016 0.000 0.245 1017 I C 2.147 178.363 176.117 0.165 0.000 1.097 1017 I CA 1.537 62.945 61.300 0.179 0.000 1.363 1017 I CB -0.299 37.818 38.000 0.195 0.000 1.051 1017 I HN 0.313 nan 8.210 nan 0.000 0.413 1018 E N 0.513 120.767 120.200 0.090 0.000 2.106 1018 E HA -0.239 4.101 4.350 -0.016 0.000 0.192 1018 E C 2.136 178.750 176.600 0.023 0.000 0.984 1018 E CA 0.865 57.308 56.400 0.072 0.000 0.806 1018 E CB -0.059 29.670 29.700 0.049 0.000 0.750 1018 E HN 0.391 nan 8.360 nan 0.000 0.458 1019 K N 0.939 121.329 120.400 -0.018 0.000 2.057 1019 K HA -0.175 4.136 4.320 -0.016 0.000 0.206 1019 K C 2.169 178.694 176.600 -0.126 0.000 1.050 1019 K CA 1.192 57.446 56.287 -0.054 0.000 0.935 1019 K CB 0.118 32.586 32.500 -0.054 0.000 0.715 1019 K HN 0.062 nan 8.250 nan 0.000 0.439 1020 Q N -1.161 118.494 119.800 -0.241 0.000 2.083 1020 Q HA -0.076 4.254 4.340 -0.016 0.000 0.198 1020 Q C 0.866 176.498 176.000 -0.614 0.000 0.969 1020 Q CA 1.270 56.741 55.803 -0.553 0.000 0.838 1020 Q CB 0.240 28.393 28.738 -0.974 0.000 0.900 1020 Q HN 0.249 nan 8.270 nan 0.000 0.436 1021 F N -1.011 118.945 119.950 0.009 0.000 2.688 1021 F HA 0.389 4.907 4.527 -0.016 0.000 0.310 1021 F C 0.725 176.533 175.800 0.015 0.000 1.098 1021 F CA 0.284 58.291 58.000 0.013 0.000 1.228 1021 F CB 1.104 40.113 39.000 0.014 0.000 1.042 1021 F HN 0.021 nan 8.300 nan 0.000 0.557 1022 G N 0.374 109.245 108.800 0.119 0.000 2.663 1022 G HA2 -0.163 3.788 3.960 -0.016 0.000 0.686 1022 G HA3 -0.163 3.788 3.960 -0.016 0.000 0.686 1022 G C 0.562 175.509 174.900 0.078 0.000 1.288 1022 G CA -0.752 44.398 45.100 0.084 0.000 0.836 1022 G HN -0.100 nan 8.290 nan 0.000 0.584 1023 K N 0.227 120.659 120.400 0.054 0.000 1.974 1023 K HA -0.154 4.157 4.320 -0.016 0.000 0.231 1023 K C 2.435 179.065 176.600 0.051 0.000 1.035 1023 K CA 2.164 58.477 56.287 0.044 0.000 1.044 1023 K CB -0.999 31.522 32.500 0.035 0.000 0.738 1023 K HN 1.231 nan 8.250 nan 0.000 0.447 1024 G N 1.099 109.928 108.800 0.048 0.000 3.332 1024 G HA2 -0.006 3.944 3.960 -0.016 0.000 0.242 1024 G HA3 -0.006 3.944 3.960 -0.016 0.000 0.242 1024 G C 1.157 176.086 174.900 0.049 0.000 1.276 1024 G CA 0.561 45.688 45.100 0.044 0.000 0.988 1024 G HN 0.389 nan 8.290 nan 0.000 0.517 1025 S N -0.560 115.180 115.700 0.067 0.000 2.453 1025 S HA 0.167 4.627 4.470 -0.016 0.000 0.231 1025 S C 0.677 175.302 174.600 0.041 0.000 1.005 1025 S CA 0.137 58.377 58.200 0.067 0.000 0.949 1025 S CB 0.280 63.558 63.200 0.129 0.000 0.774 1025 S HN 0.371 nan 8.310 nan 0.000 0.510 1026 I N 1.098 121.696 120.570 0.047 0.000 2.692 1026 I HA 0.594 4.754 4.170 -0.016 0.000 0.293 1026 I C -1.365 174.770 176.117 0.029 0.000 1.200 1026 I CA -1.233 60.086 61.300 0.032 0.000 1.036 1026 I CB 1.962 39.984 38.000 0.036 0.000 1.258 1026 I HN 0.394 nan 8.210 nan 0.000 0.421 1027 M N 4.091 123.704 119.600 0.022 0.000 2.949 1027 M HA 0.577 5.047 4.480 -0.016 0.000 0.270 1027 M C -1.287 175.020 176.300 0.012 0.000 1.221 1027 M CA -1.078 54.232 55.300 0.017 0.000 0.818 1027 M CB 1.451 34.061 32.600 0.016 0.000 1.635 1027 M HN 0.320 nan 8.290 nan 0.000 0.492 1028 R N 1.148 121.653 120.500 0.007 0.000 2.522 1028 R HA 0.249 4.579 4.340 -0.016 0.000 0.284 1028 R C 0.974 177.271 176.300 -0.004 0.000 1.032 1028 R CA -0.078 56.023 56.100 0.001 0.000 1.049 1028 R CB 0.213 30.512 30.300 -0.002 0.000 0.956 1028 R HN 0.691 nan 8.270 nan 0.000 0.422 1029 L N 2.356 123.572 121.223 -0.012 0.000 2.012 1029 L HA -0.177 4.153 4.340 -0.016 0.000 0.210 1029 L C 1.920 178.777 176.870 -0.021 0.000 1.073 1029 L CA 2.129 56.955 54.840 -0.024 0.000 0.748 1029 L CB -0.550 41.480 42.059 -0.048 0.000 0.891 1029 L HN 1.006 nan 8.230 nan 0.000 0.431 1030 G N -0.150 108.638 108.800 -0.020 0.000 2.485 1030 G HA2 -0.274 3.676 3.960 -0.016 0.000 0.221 1030 G HA3 -0.274 3.676 3.960 -0.016 0.000 0.221 1030 G C 1.130 176.024 174.900 -0.010 0.000 1.115 1030 G CA 0.975 46.065 45.100 -0.017 0.000 0.751 1030 G HN 0.721 nan 8.290 nan 0.000 0.567 1031 E N -0.208 119.988 120.200 -0.007 0.000 2.501 1031 E HA 0.109 4.449 4.350 -0.016 0.000 0.201 1031 E C -0.460 176.141 176.600 0.001 0.000 1.016 1031 E CA -0.416 55.983 56.400 -0.002 0.000 0.920 1031 E CB 0.341 30.041 29.700 -0.000 0.000 1.023 1031 E HN 0.137 nan 8.360 nan 0.000 0.474 1032 D N 1.807 122.207 120.400 -0.000 0.000 2.411 1032 D HA 0.078 4.708 4.640 -0.016 0.000 0.225 1032 D C 0.761 177.064 176.300 0.005 0.000 1.156 1032 D CA -0.303 53.700 54.000 0.004 0.000 0.874 1032 D CB 0.717 41.520 40.800 0.004 0.000 1.034 1032 D HN -0.094 nan 8.370 nan 0.000 0.502 1033 R N 1.477 121.981 120.500 0.008 0.000 2.115 1033 R HA -0.089 4.242 4.340 -0.016 0.000 0.230 1033 R C 1.886 178.193 176.300 0.012 0.000 1.111 1033 R CA 0.741 56.846 56.100 0.008 0.000 0.976 1033 R CB -0.842 29.463 30.300 0.009 0.000 0.870 1033 R HN 0.472 nan 8.270 nan 0.000 0.445 1034 S N -0.649 115.061 115.700 0.017 0.000 2.595 1034 S HA -0.070 4.390 4.470 -0.016 0.000 0.235 1034 S C 1.691 176.307 174.600 0.026 0.000 0.974 1034 S CA 0.643 58.857 58.200 0.024 0.000 0.942 1034 S CB -0.009 63.210 63.200 0.032 0.000 0.766 1034 S HN 0.116 nan 8.310 nan 0.000 0.536 1035 M N 1.539 121.149 119.600 0.017 0.000 2.465 1035 M HA 0.315 4.785 4.480 -0.016 0.000 0.249 1035 M C -0.760 175.545 176.300 0.009 0.000 1.130 1035 M CA 0.065 55.372 55.300 0.012 0.000 1.067 1035 M CB 0.222 32.822 32.600 -0.001 0.000 1.394 1035 M HN 0.011 nan 8.290 nan 0.000 0.483 1036 D N 0.888 121.293 120.400 0.008 0.000 2.455 1036 D HA 0.060 4.690 4.640 -0.016 0.000 0.241 1036 D C -0.411 175.894 176.300 0.009 0.000 1.138 1036 D CA 0.215 54.219 54.000 0.007 0.000 0.877 1036 D CB 0.959 41.763 40.800 0.006 0.000 1.187 1036 D HN -0.104 nan 8.370 nan 0.000 0.451 1037 V N 3.026 122.944 119.914 0.007 0.000 2.455 1037 V HA 0.061 4.172 4.120 -0.016 0.000 0.273 1037 V C 0.668 176.764 176.094 0.003 0.000 1.045 1037 V CA 0.039 62.342 62.300 0.005 0.000 0.976 1037 V CB 0.714 32.538 31.823 0.001 0.000 0.993 1037 V HN 0.427 nan 8.190 nan 0.000 0.475 1038 E N 3.651 123.852 120.200 0.002 0.000 2.212 1038 E HA 0.614 4.954 4.350 -0.016 0.000 0.268 1038 E C -0.534 176.063 176.600 -0.004 0.000 0.902 1038 E CA -0.505 55.895 56.400 -0.000 0.000 0.779 1038 E CB 2.090 31.790 29.700 0.000 0.000 1.172 1038 E HN 0.798 nan 8.360 nan 0.000 0.409 1039 T N 0.990 115.539 114.554 -0.007 0.000 2.930 1039 T HA 0.609 4.950 4.350 -0.016 0.000 0.290 1039 T C -0.345 174.346 174.700 -0.015 0.000 1.052 1039 T CA -0.866 61.227 62.100 -0.011 0.000 1.017 1039 T CB 1.105 69.966 68.868 -0.012 0.000 1.137 1039 T HN 0.257 nan 8.240 nan 0.000 0.511 1040 I N 1.772 122.331 120.570 -0.019 0.000 2.569 1040 I HA 0.447 4.608 4.170 -0.016 0.000 0.296 1040 I C 0.757 176.856 176.117 -0.030 0.000 1.028 1040 I CA -0.731 60.553 61.300 -0.026 0.000 1.082 1040 I CB 1.851 39.835 38.000 -0.027 0.000 1.264 1040 I HN 0.965 nan 8.210 nan 0.000 0.429 1041 S N 2.712 118.388 115.700 -0.039 0.000 2.568 1041 S HA 0.077 4.537 4.470 -0.016 0.000 0.282 1041 S C 1.305 175.875 174.600 -0.049 0.000 1.338 1041 S CA 0.384 58.558 58.200 -0.044 0.000 1.045 1041 S CB 0.436 63.597 63.200 -0.065 0.000 0.873 1041 S HN 0.793 nan 8.310 nan 0.000 0.516 1042 T N 0.982 115.508 114.554 -0.048 0.000 3.081 1042 T HA 0.373 4.713 4.350 -0.016 0.000 0.250 1042 T C 1.477 176.124 174.700 -0.089 0.000 1.100 1042 T CA 0.642 62.709 62.100 -0.056 0.000 1.038 1042 T CB -0.271 68.568 68.868 -0.048 0.000 0.962 1042 T HN 1.601 nan 8.240 nan 0.000 0.516 1043 G N 0.856 109.596 108.800 -0.100 0.000 2.241 1043 G HA2 -0.245 3.706 3.960 -0.016 0.000 0.244 1043 G HA3 -0.245 3.706 3.960 -0.016 0.000 0.244 1043 G C 0.222 175.059 174.900 -0.106 0.000 0.998 1043 G CA 0.210 45.230 45.100 -0.132 0.000 0.621 1043 G HN 1.096 nan 8.290 nan 0.000 0.519 1044 S N -0.102 115.504 115.700 -0.156 0.000 2.449 1044 S HA 0.633 5.093 4.470 -0.016 0.000 0.310 1044 S C 1.167 175.736 174.600 -0.052 0.000 1.096 1044 S CA 0.081 58.141 58.200 -0.233 0.000 1.095 1044 S CB 1.547 64.352 63.200 -0.658 0.000 1.007 1044 S HN 1.029 nan 8.310 nan 0.000 0.474 1045 L N 5.762 126.964 121.223 -0.035 0.000 2.056 1045 L HA 0.044 4.374 4.340 -0.016 0.000 0.207 1045 L C 2.526 179.366 176.870 -0.049 0.000 1.078 1045 L CA 2.683 57.495 54.840 -0.046 0.000 0.749 1045 L CB -1.004 40.858 42.059 -0.328 0.000 0.901 1045 L HN 0.899 nan 8.230 nan 0.000 0.433 1046 S N -1.198 114.473 115.700 -0.049 0.000 2.402 1046 S HA -0.167 4.294 4.470 -0.016 0.000 0.229 1046 S C 2.097 176.729 174.600 0.054 0.000 1.021 1046 S CA 1.191 59.402 58.200 0.020 0.000 0.974 1046 S CB -0.915 62.326 63.200 0.069 0.000 0.800 1046 S HN 0.497 nan 8.310 nan 0.000 0.484 1047 L N 1.425 122.682 121.223 0.057 0.000 2.027 1047 L HA -0.110 4.220 4.340 -0.016 0.000 0.206 1047 L C 2.019 178.903 176.870 0.022 0.000 1.074 1047 L CA 1.999 56.876 54.840 0.062 0.000 0.745 1047 L CB -0.669 41.421 42.059 0.052 0.000 0.898 1047 L HN 0.242 nan 8.230 nan 0.000 0.433 1048 D N 0.130 120.533 120.400 0.006 0.000 2.158 1048 D HA -0.218 4.413 4.640 -0.016 0.000 0.197 1048 D C 2.121 178.426 176.300 0.009 0.000 0.995 1048 D CA 1.389 55.392 54.000 0.005 0.000 0.846 1048 D CB -0.106 40.703 40.800 0.014 0.000 0.941 1048 D HN 0.376 nan 8.370 nan 0.000 0.456 1049 I N 0.747 121.325 120.570 0.013 0.000 2.286 1049 I HA -0.199 3.961 4.170 -0.016 0.000 0.245 1049 I C 2.434 178.561 176.117 0.016 0.000 1.104 1049 I CA 0.896 62.205 61.300 0.015 0.000 1.397 1049 I CB -0.163 37.846 38.000 0.014 0.000 1.072 1049 I HN -0.079 nan 8.210 nan 0.000 0.417 1050 A N 0.762 123.595 122.820 0.022 0.000 1.940 1050 A HA -0.165 4.146 4.320 -0.016 0.000 0.219 1050 A C 2.221 179.803 177.584 -0.003 0.000 1.176 1050 A CA 1.434 53.483 52.037 0.020 0.000 0.631 1050 A CB -0.918 18.102 19.000 0.034 0.000 0.814 1050 A HN 0.414 nan 8.150 nan 0.000 0.446 1051 L N -1.349 119.869 121.223 -0.009 0.000 2.549 1051 L HA 0.032 4.362 4.340 -0.016 0.000 0.229 1051 L C 2.149 178.998 176.870 -0.035 0.000 1.158 1051 L CA 0.647 55.468 54.840 -0.031 0.000 0.842 1051 L CB -0.399 41.644 42.059 -0.026 0.000 0.952 1051 L HN 0.643 nan 8.230 nan 0.000 0.452 1052 G N -0.226 108.564 108.800 -0.016 0.000 2.609 1052 G HA2 -0.440 3.510 3.960 -0.016 0.000 0.235 1052 G HA3 -0.440 3.510 3.960 -0.016 0.000 0.235 1052 G C 1.078 175.975 174.900 -0.005 0.000 1.177 1052 G CA 0.534 45.629 45.100 -0.009 0.000 0.707 1052 G HN 0.470 nan 8.290 nan 0.000 0.513 1053 A N 0.278 123.089 122.820 -0.014 0.000 2.275 1053 A HA 0.575 4.885 4.320 -0.016 0.000 0.212 1053 A C 2.519 180.101 177.584 -0.004 0.000 1.201 1053 A CA 1.875 53.907 52.037 -0.009 0.000 0.843 1053 A CB -0.409 18.581 19.000 -0.018 0.000 0.873 1053 A HN 2.596 nan 8.150 nan 0.000 0.492 1054 G N -2.908 105.890 108.800 -0.003 0.000 2.176 1054 G HA2 0.294 4.244 3.960 -0.016 0.000 0.232 1054 G HA3 0.294 4.244 3.960 -0.016 0.000 0.232 1054 G C 0.882 175.779 174.900 -0.004 0.000 0.986 1054 G CA 0.327 45.428 45.100 0.001 0.000 0.643 1054 G HN 2.126 nan 8.290 nan 0.000 0.522 1055 G N -1.409 107.385 108.800 -0.010 0.000 2.333 1055 G HA2 0.510 4.461 3.960 -0.016 0.000 0.288 1055 G HA3 0.510 4.461 3.960 -0.016 0.000 0.288 1055 G C -0.869 174.020 174.900 -0.018 0.000 1.286 1055 G CA -0.468 44.623 45.100 -0.015 0.000 0.865 1055 G HN 0.866 nan 8.290 nan 0.000 0.506 1056 L N 2.077 123.289 121.223 -0.019 0.000 2.371 1056 L HA 0.426 4.757 4.340 -0.016 0.000 0.272 1056 L C -1.813 175.048 176.870 -0.015 0.000 1.124 1056 L CA -1.644 53.186 54.840 -0.017 0.000 0.816 1056 L CB 1.466 43.515 42.059 -0.016 0.000 1.129 1056 L HN 0.306 nan 8.230 nan 0.000 0.448 1057 P HA 0.165 nan 4.420 nan 0.000 0.286 1057 P C -0.735 176.563 177.300 -0.003 0.000 1.269 1057 P CA -0.549 62.546 63.100 -0.008 0.000 0.787 1057 P CB 0.970 32.665 31.700 -0.007 0.000 0.920 1058 M N 1.930 121.529 119.600 -0.002 0.000 2.248 1058 M HA 0.217 4.687 4.480 -0.016 0.000 0.337 1058 M C 1.577 177.882 176.300 0.009 0.000 1.121 1058 M CA 0.814 56.113 55.300 -0.001 0.000 1.155 1058 M CB -0.718 31.881 32.600 -0.002 0.000 1.514 1058 M HN 0.832 nan 8.290 nan 0.000 0.452 1059 G N 2.399 111.204 108.800 0.007 0.000 2.143 1059 G HA2 -0.205 3.745 3.960 -0.016 0.000 0.248 1059 G HA3 -0.205 3.745 3.960 -0.016 0.000 0.248 1059 G C 0.136 175.056 174.900 0.034 0.000 0.991 1059 G CA -0.035 45.077 45.100 0.019 0.000 0.689 1059 G HN 0.552 nan 8.290 nan 0.000 0.522 1060 R N -0.999 119.519 120.500 0.030 0.000 2.930 1060 R HA 0.756 5.086 4.340 -0.016 0.000 0.257 1060 R C 0.053 176.385 176.300 0.053 0.000 1.107 1060 R CA -1.123 55.008 56.100 0.053 0.000 0.999 1060 R CB 0.860 31.187 30.300 0.045 0.000 1.209 1060 R HN 0.197 nan 8.270 nan 0.000 0.486 1061 I N 0.745 121.373 120.570 0.096 0.000 2.392 1061 I HA 0.391 4.552 4.170 -0.016 0.000 0.295 1061 I C -0.246 175.942 176.117 0.118 0.000 0.985 1061 I CA -0.895 60.483 61.300 0.129 0.000 1.221 1061 I CB 1.827 39.963 38.000 0.227 0.000 1.366 1061 I HN -0.036 nan 8.210 nan 0.000 0.467 1062 V N 5.312 125.292 119.914 0.110 0.000 2.735 1062 V HA 0.383 4.494 4.120 -0.016 0.000 0.310 1062 V C -0.435 175.750 176.094 0.152 0.000 1.061 1062 V CA -0.643 61.713 62.300 0.093 0.000 0.913 1062 V CB 2.134 33.980 31.823 0.037 0.000 1.005 1062 V HN 0.729 nan 8.190 nan 0.000 0.428 1063 E N 3.631 123.919 120.200 0.147 0.000 2.199 1063 E HA 0.669 5.009 4.350 -0.016 0.000 0.269 1063 E C -1.615 175.073 176.600 0.147 0.000 0.899 1063 E CA -0.625 55.886 56.400 0.185 0.000 0.772 1063 E CB 1.806 31.622 29.700 0.193 0.000 1.155 1063 E HN 0.618 nan 8.360 nan 0.000 0.408 1064 I N 5.107 125.764 120.570 0.144 0.000 2.436 1064 I HA 0.354 4.514 4.170 -0.016 0.000 0.289 1064 I C -1.019 175.188 176.117 0.150 0.000 1.010 1064 I CA -0.971 60.377 61.300 0.080 0.000 1.098 1064 I CB 0.994 39.029 38.000 0.057 0.000 1.266 1064 I HN 0.489 nan 8.210 nan 0.000 0.434 1065 Y N 3.935 124.266 120.300 0.051 0.000 2.581 1065 Y HA 0.998 5.538 4.550 -0.016 0.000 0.345 1065 Y C -0.261 175.684 175.900 0.075 0.000 1.036 1065 Y CA -1.108 57.020 58.100 0.046 0.000 1.042 1065 Y CB 1.991 40.462 38.460 0.018 0.000 1.289 1065 Y HN 0.696 nan 8.280 nan 0.000 0.471 1066 G N 0.785 109.758 108.800 0.288 0.000 2.328 1066 G HA2 0.454 4.404 3.960 -0.016 0.000 0.295 1066 G HA3 0.454 4.404 3.960 -0.016 0.000 0.295 1066 G C -3.542 171.567 174.900 0.349 0.000 1.413 1066 G CA -1.328 43.911 45.100 0.232 0.000 0.817 1066 G HN 0.502 nan 8.290 nan 0.000 0.546 1067 P HA 0.284 nan 4.420 nan 0.000 0.272 1067 P C -0.267 177.091 177.300 0.097 0.000 1.254 1067 P CA -0.261 62.972 63.100 0.222 0.000 0.795 1067 P CB 0.233 31.977 31.700 0.073 0.000 1.022 1068 E N -0.596 119.352 120.200 -0.419 0.000 2.413 1068 E HA 0.182 4.522 4.350 -0.016 0.000 0.263 1068 E C 0.122 176.661 176.600 -0.102 0.000 1.015 1068 E CA -0.063 56.102 56.400 -0.391 0.000 0.916 1068 E CB -0.633 28.671 29.700 -0.660 0.000 0.947 1068 E HN 0.275 nan 8.360 nan 0.000 0.440 1069 S N 0.634 116.323 115.700 -0.018 0.000 3.521 1069 S HA -0.223 4.238 4.470 -0.016 0.000 0.328 1069 S C 0.954 175.596 174.600 0.070 0.000 1.165 1069 S CA 0.985 59.192 58.200 0.013 0.000 0.941 1069 S CB -1.795 61.385 63.200 -0.033 0.000 0.951 1069 S HN 0.730 nan 8.310 nan 0.000 0.539 1070 S N -0.240 115.512 115.700 0.088 0.000 2.528 1070 S HA 0.436 4.897 4.470 -0.016 0.000 0.219 1070 S C 1.526 176.195 174.600 0.115 0.000 0.985 1070 S CA 0.768 59.025 58.200 0.094 0.000 0.914 1070 S CB 0.510 63.762 63.200 0.088 0.000 0.776 1070 S HN 1.971 nan 8.310 nan 0.000 0.526 1071 G N 1.280 110.162 108.800 0.136 0.000 2.148 1071 G HA2 -0.182 3.768 3.960 -0.016 0.000 0.157 1071 G HA3 -0.182 3.768 3.960 -0.016 0.000 0.157 1071 G C 0.601 175.601 174.900 0.167 0.000 1.012 1071 G CA 0.102 45.305 45.100 0.171 0.000 0.677 1071 G HN 0.438 nan 8.290 nan 0.000 0.506 1072 K N -0.163 120.325 120.400 0.147 0.000 2.002 1072 K HA -0.053 4.257 4.320 -0.016 0.000 0.209 1072 K C 2.560 179.252 176.600 0.152 0.000 1.048 1072 K CA 1.922 58.292 56.287 0.138 0.000 0.930 1072 K CB -0.372 32.207 32.500 0.132 0.000 0.714 1072 K HN 0.277 nan 8.250 nan 0.000 0.438 1073 T N 0.938 115.594 114.554 0.170 0.000 2.674 1073 T HA -0.143 4.197 4.350 -0.016 0.000 0.265 1073 T C 2.000 176.820 174.700 0.199 0.000 1.039 1073 T CA 1.885 64.114 62.100 0.215 0.000 1.150 1073 T CB -0.499 68.497 68.868 0.213 0.000 0.864 1073 T HN 0.277 nan 8.240 nan 0.000 0.427 1074 T N 2.671 117.343 114.554 0.197 0.000 2.624 1074 T HA -0.129 4.212 4.350 -0.016 0.000 0.268 1074 T C 1.862 176.644 174.700 0.137 0.000 1.041 1074 T CA 1.184 63.401 62.100 0.196 0.000 1.159 1074 T CB -0.638 68.379 68.868 0.250 0.000 0.863 1074 T HN 0.198 nan 8.240 nan 0.000 0.434 1075 L N 0.319 121.627 121.223 0.142 0.000 1.989 1075 L HA -0.197 4.133 4.340 -0.016 0.000 0.211 1075 L C 2.710 179.622 176.870 0.071 0.000 1.071 1075 L CA 1.824 56.723 54.840 0.099 0.000 0.749 1075 L CB -0.904 41.230 42.059 0.124 0.000 0.890 1075 L HN 0.331 nan 8.230 nan 0.000 0.431 1076 T N 0.483 115.099 114.554 0.104 0.000 2.665 1076 T HA -0.244 4.097 4.350 -0.016 0.000 0.268 1076 T C 1.894 176.665 174.700 0.118 0.000 1.035 1076 T CA 1.756 63.924 62.100 0.113 0.000 1.151 1076 T CB -0.264 68.704 68.868 0.167 0.000 0.862 1076 T HN 0.281 nan 8.240 nan 0.000 0.438 1077 L N 0.716 122.010 121.223 0.118 0.000 2.141 1077 L HA -0.089 4.242 4.340 -0.016 0.000 0.209 1077 L C 2.955 179.824 176.870 -0.001 0.000 1.094 1077 L CA 0.959 55.829 54.840 0.051 0.000 0.763 1077 L CB -0.488 41.571 42.059 -0.001 0.000 0.908 1077 L HN 0.238 nan 8.230 nan 0.000 0.437 1078 Q N -0.435 119.361 119.800 -0.006 0.000 2.119 1078 Q HA -0.162 4.168 4.340 -0.016 0.000 0.201 1078 Q C 2.445 178.413 176.000 -0.052 0.000 0.972 1078 Q CA 1.773 57.548 55.803 -0.047 0.000 0.847 1078 Q CB -0.490 28.212 28.738 -0.060 0.000 0.903 1078 Q HN 0.548 nan 8.270 nan 0.000 0.433 1079 V N -0.206 119.692 119.914 -0.027 0.000 2.358 1079 V HA -0.196 3.914 4.120 -0.016 0.000 0.246 1079 V C 2.089 178.168 176.094 -0.025 0.000 1.047 1079 V CA 1.143 63.424 62.300 -0.031 0.000 1.035 1079 V CB -0.474 31.337 31.823 -0.020 0.000 0.658 1079 V HN 0.218 nan 8.190 nan 0.000 0.452 1080 I N 1.143 121.713 120.570 -0.001 0.000 2.163 1080 I HA -0.233 3.928 4.170 -0.016 0.000 0.243 1080 I C 2.952 179.051 176.117 -0.029 0.000 1.085 1080 I CA 1.933 63.233 61.300 0.000 0.000 1.347 1080 I CB -0.788 37.235 38.000 0.039 0.000 1.044 1080 I HN 0.445 nan 8.210 nan 0.000 0.408 1081 A N 0.646 123.438 122.820 -0.045 0.000 1.883 1081 A HA -0.219 4.092 4.320 -0.016 0.000 0.217 1081 A C 2.538 180.076 177.584 -0.076 0.000 1.186 1081 A CA 2.072 54.069 52.037 -0.066 0.000 0.624 1081 A CB -0.961 17.989 19.000 -0.083 0.000 0.822 1081 A HN 0.458 nan 8.150 nan 0.000 0.444 1082 A N -0.295 122.474 122.820 -0.086 0.000 1.902 1082 A HA 0.153 4.464 4.320 -0.016 0.000 0.217 1082 A C 2.501 180.040 177.584 -0.075 0.000 1.181 1082 A CA 2.157 54.134 52.037 -0.100 0.000 0.623 1082 A CB -0.983 17.950 19.000 -0.113 0.000 0.818 1082 A HN 1.071 nan 8.150 nan 0.000 0.443 1083 A N -0.743 122.043 122.820 -0.056 0.000 1.898 1083 A HA -0.198 4.113 4.320 -0.016 0.000 0.216 1083 A C 2.127 179.687 177.584 -0.040 0.000 1.181 1083 A CA 1.600 53.611 52.037 -0.043 0.000 0.620 1083 A CB -0.577 18.403 19.000 -0.032 0.000 0.819 1083 A HN 0.641 nan 8.150 nan 0.000 0.442 1084 Q N -1.179 118.596 119.800 -0.040 0.000 2.124 1084 Q HA -0.178 4.153 4.340 -0.016 0.000 0.202 1084 Q C 2.284 178.258 176.000 -0.043 0.000 0.977 1084 Q CA 1.513 57.294 55.803 -0.037 0.000 0.850 1084 Q CB -0.158 28.558 28.738 -0.037 0.000 0.901 1084 Q HN 0.562 nan 8.270 nan 0.000 0.429 1085 R N 1.104 121.571 120.500 -0.054 0.000 2.200 1085 R HA -0.128 4.202 4.340 -0.016 0.000 0.234 1085 R C 0.810 177.079 176.300 -0.052 0.000 1.127 1085 R CA 1.136 57.200 56.100 -0.059 0.000 0.989 1085 R CB 0.192 30.444 30.300 -0.080 0.000 0.869 1085 R HN 0.269 nan 8.270 nan 0.000 0.459 1086 E N -1.626 118.546 120.200 -0.048 0.000 2.451 1086 E HA 0.172 4.512 4.350 -0.016 0.000 0.194 1086 E C 0.414 176.995 176.600 -0.031 0.000 1.027 1086 E CA 0.339 56.715 56.400 -0.040 0.000 0.914 1086 E CB 0.942 30.617 29.700 -0.040 0.000 1.054 1086 E HN 0.478 nan 8.360 nan 0.000 0.461 1087 G N 2.218 111.000 108.800 -0.030 0.000 2.143 1087 G HA2 -0.311 3.640 3.960 -0.016 0.000 0.249 1087 G HA3 -0.311 3.640 3.960 -0.016 0.000 0.249 1087 G C 0.202 175.090 174.900 -0.020 0.000 0.981 1087 G CA 0.151 45.237 45.100 -0.023 0.000 0.665 1087 G HN 0.164 nan 8.290 nan 0.000 0.528 1088 K N 0.339 120.725 120.400 -0.023 0.000 2.126 1088 K HA 0.507 4.818 4.320 -0.016 0.000 0.257 1088 K C 0.073 176.663 176.600 -0.017 0.000 1.007 1088 K CA 0.066 56.341 56.287 -0.020 0.000 0.928 1088 K CB 0.665 33.152 32.500 -0.022 0.000 1.013 1088 K HN 0.099 nan 8.250 nan 0.000 0.473 1089 T N 1.333 115.879 114.554 -0.014 0.000 2.794 1089 T HA 0.329 4.670 4.350 -0.016 0.000 0.280 1089 T C -0.497 174.198 174.700 -0.010 0.000 0.987 1089 T CA -0.543 61.550 62.100 -0.011 0.000 0.993 1089 T CB 0.445 69.307 68.868 -0.009 0.000 0.939 1089 T HN 0.534 nan 8.240 nan 0.000 0.449 1090 C N 2.364 121.663 119.300 -0.003 0.000 2.707 1090 C HA 0.979 5.429 4.460 -0.016 0.000 0.313 1090 C C 0.249 175.251 174.990 0.019 0.000 1.209 1090 C CA -0.886 58.135 59.018 0.005 0.000 1.635 1090 C CB 1.013 28.763 27.740 0.017 0.000 2.206 1090 C HN 1.038 nan 8.230 nan 0.000 0.485 1091 A N 1.186 124.017 122.820 0.019 0.000 2.435 1091 A HA 0.871 5.182 4.320 -0.016 0.000 0.304 1091 A C -1.495 176.129 177.584 0.067 0.000 1.064 1091 A CA -0.265 51.793 52.037 0.034 0.000 0.727 1091 A CB 1.060 20.055 19.000 -0.009 0.000 1.284 1091 A HN 0.824 nan 8.150 nan 0.000 0.415 1092 F N 3.120 123.034 119.950 -0.060 0.000 2.507 1092 F HA 0.570 5.088 4.527 -0.016 0.000 0.328 1092 F C -0.787 174.968 175.800 -0.074 0.000 1.136 1092 F CA -0.829 57.133 58.000 -0.065 0.000 0.930 1092 F CB 1.343 40.314 39.000 -0.049 0.000 1.166 1092 F HN 0.371 nan 8.300 nan 0.000 0.436 1093 I N 4.896 125.270 120.570 -0.327 0.000 2.310 1093 I HA 0.121 4.281 4.170 -0.016 0.000 0.287 1093 I C -0.141 175.852 176.117 -0.206 0.000 1.073 1093 I CA -0.362 60.819 61.300 -0.197 0.000 1.216 1093 I CB 0.517 38.390 38.000 -0.211 0.000 1.415 1093 I HN 0.509 nan 8.210 nan 0.000 0.480 1094 D N 5.373 125.791 120.400 0.029 0.000 2.619 1094 D HA 0.331 4.961 4.640 -0.016 0.000 0.224 1094 D C 1.257 177.489 176.300 -0.114 0.000 1.133 1094 D CA -0.047 54.010 54.000 0.095 0.000 1.017 1094 D CB 0.783 41.694 40.800 0.185 0.000 1.077 1094 D HN 0.592 nan 8.370 nan 0.000 0.503 1095 A N 2.347 125.129 122.820 -0.062 0.000 2.015 1095 A HA -0.109 4.201 4.320 -0.016 0.000 0.219 1095 A C 1.922 179.626 177.584 0.199 0.000 1.163 1095 A CA 0.776 52.823 52.037 0.016 0.000 0.646 1095 A CB -0.212 18.812 19.000 0.040 0.000 0.806 1095 A HN 0.514 nan 8.150 nan 0.000 0.448 1096 E N -1.070 119.213 120.200 0.138 0.000 2.427 1096 E HA -0.079 4.261 4.350 -0.016 0.000 0.196 1096 E C -0.538 176.241 176.600 0.298 0.000 1.028 1096 E CA 0.046 56.554 56.400 0.180 0.000 0.864 1096 E CB -0.155 29.576 29.700 0.052 0.000 0.813 1096 E HN 0.696 nan 8.360 nan 0.000 0.514 1097 H N -1.990 117.143 119.070 0.105 0.000 2.692 1097 H HA -0.204 4.342 4.556 -0.016 0.000 0.316 1097 H C -0.092 175.286 175.328 0.083 0.000 1.176 1097 H CA 0.519 56.624 56.048 0.094 0.000 1.142 1097 H CB -1.324 28.491 29.762 0.090 0.000 1.475 1097 H HN 0.238 nan 8.280 nan 0.000 0.423 1098 A N 0.597 123.504 122.820 0.145 0.000 2.622 1098 A HA 0.250 4.561 4.320 -0.016 0.000 0.283 1098 A C 0.238 177.853 177.584 0.052 0.000 0.998 1098 A CA -0.451 51.644 52.037 0.097 0.000 0.985 1098 A CB 0.673 19.728 19.000 0.090 0.000 1.236 1098 A HN 0.145 nan 8.150 nan 0.000 0.559 1099 L N 1.223 122.467 121.223 0.035 0.000 2.360 1099 L HA 0.455 4.786 4.340 -0.016 0.000 0.276 1099 L C -0.517 176.327 176.870 -0.042 0.000 1.121 1099 L CA 0.123 54.933 54.840 -0.049 0.000 0.845 1099 L CB 0.682 42.639 42.059 -0.171 0.000 1.143 1099 L HN 0.225 nan 8.230 nan 0.000 0.452 1100 D N 7.321 127.704 120.400 -0.027 0.000 2.428 1100 D HA 0.299 4.929 4.640 -0.016 0.000 0.221 1100 D C -1.781 174.525 176.300 0.009 0.000 1.123 1100 D CA -2.222 51.781 54.000 0.006 0.000 0.869 1100 D CB 1.450 42.266 40.800 0.026 0.000 1.032 1100 D HN 0.353 nan 8.370 nan 0.000 0.506 1101 P HA -0.163 nan 4.420 nan 0.000 0.215 1101 P C 1.685 178.976 177.300 -0.015 0.000 1.153 1101 P CA 0.617 63.692 63.100 -0.041 0.000 0.853 1101 P CB 0.539 32.218 31.700 -0.036 0.000 0.788 1102 I N -1.558 119.022 120.570 0.017 0.000 2.208 1102 I HA -0.251 3.910 4.170 -0.016 0.000 0.245 1102 I C 2.682 178.832 176.117 0.056 0.000 1.097 1102 I CA 1.456 62.773 61.300 0.029 0.000 1.363 1102 I CB -1.189 36.834 38.000 0.039 0.000 1.051 1102 I HN -0.145 nan 8.210 nan 0.000 0.413 1103 Y N 1.112 121.388 120.300 -0.040 0.000 2.181 1103 Y HA -0.250 4.291 4.550 -0.016 0.000 0.288 1103 Y C 2.475 178.348 175.900 -0.044 0.000 1.146 1103 Y CA 1.344 59.424 58.100 -0.034 0.000 1.164 1103 Y CB -0.633 37.807 38.460 -0.034 0.000 0.982 1103 Y HN 0.149 nan 8.280 nan 0.000 0.515 1104 A N 0.487 123.271 122.820 -0.059 0.000 1.917 1104 A HA -0.249 4.061 4.320 -0.016 0.000 0.219 1104 A C 2.432 179.913 177.584 -0.171 0.000 1.182 1104 A CA 1.913 53.859 52.037 -0.152 0.000 0.633 1104 A CB -0.775 18.137 19.000 -0.148 0.000 0.819 1104 A HN 0.480 nan 8.150 nan 0.000 0.448 1105 R N -0.182 120.244 120.500 -0.124 0.000 2.081 1105 R HA -0.119 4.212 4.340 -0.016 0.000 0.235 1105 R C 2.069 178.290 176.300 -0.132 0.000 1.131 1105 R CA 1.757 57.794 56.100 -0.104 0.000 0.960 1105 R CB -0.271 29.991 30.300 -0.064 0.000 0.856 1105 R HN 0.560 nan 8.270 nan 0.000 0.436 1106 K N 0.309 120.605 120.400 -0.173 0.000 2.152 1106 K HA -0.096 4.215 4.320 -0.016 0.000 0.206 1106 K C 1.792 178.251 176.600 -0.236 0.000 1.048 1106 K CA 1.018 57.191 56.287 -0.190 0.000 0.933 1106 K CB -0.072 32.305 32.500 -0.206 0.000 0.721 1106 K HN 0.238 nan 8.250 nan 0.000 0.447 1107 L N -0.002 121.024 121.223 -0.329 0.000 2.650 1107 L HA 0.072 4.403 4.340 -0.016 0.000 0.235 1107 L C 1.004 177.779 176.870 -0.158 0.000 1.149 1107 L CA 0.348 55.035 54.840 -0.255 0.000 0.887 1107 L CB -0.315 41.569 42.059 -0.291 0.000 1.021 1107 L HN 0.423 nan 8.230 nan 0.000 0.441 1108 G N -0.065 108.654 108.800 -0.136 0.000 2.141 1108 G HA2 -0.242 3.709 3.960 -0.016 0.000 0.242 1108 G HA3 -0.242 3.709 3.960 -0.016 0.000 0.242 1108 G C 0.203 175.048 174.900 -0.092 0.000 0.982 1108 G CA -0.037 45.002 45.100 -0.102 0.000 0.662 1108 G HN 0.119 nan 8.290 nan 0.000 0.527 1109 V N 1.096 120.950 119.914 -0.100 0.000 2.614 1109 V HA 0.333 4.443 4.120 -0.016 0.000 0.291 1109 V C 0.769 176.821 176.094 -0.070 0.000 1.049 1109 V CA 0.017 62.267 62.300 -0.083 0.000 1.038 1109 V CB 1.656 33.422 31.823 -0.095 0.000 0.980 1109 V HN 0.349 nan 8.190 nan 0.000 0.481 1110 D N 4.495 124.862 120.400 -0.056 0.000 2.455 1110 D HA 0.075 4.705 4.640 -0.016 0.000 0.234 1110 D C 1.125 177.399 176.300 -0.043 0.000 1.224 1110 D CA -0.251 53.722 54.000 -0.046 0.000 0.999 1110 D CB 0.302 41.080 40.800 -0.037 0.000 1.072 1110 D HN 0.292 nan 8.370 nan 0.000 0.514 1111 I N 2.379 122.920 120.570 -0.049 0.000 2.185 1111 I HA -0.263 3.897 4.170 -0.016 0.000 0.246 1111 I C 1.560 177.657 176.117 -0.034 0.000 1.088 1111 I CA 1.179 62.450 61.300 -0.048 0.000 1.347 1111 I CB -0.575 37.397 38.000 -0.047 0.000 1.041 1111 I HN 0.384 nan 8.210 nan 0.000 0.415 1112 D N 0.308 120.692 120.400 -0.027 0.000 2.310 1112 D HA -0.102 4.528 4.640 -0.016 0.000 0.212 1112 D C 1.431 177.722 176.300 -0.015 0.000 0.965 1112 D CA 0.751 54.739 54.000 -0.019 0.000 0.879 1112 D CB -0.125 40.665 40.800 -0.017 0.000 0.921 1112 D HN 0.407 nan 8.370 nan 0.000 0.510 1113 N N -0.048 118.642 118.700 -0.017 0.000 2.171 1113 N HA 0.044 4.775 4.740 -0.016 0.000 0.212 1113 N C 0.112 175.617 175.510 -0.008 0.000 1.184 1113 N CA -0.178 52.864 53.050 -0.012 0.000 0.888 1113 N CB 1.476 39.954 38.487 -0.014 0.000 1.038 1113 N HN 0.169 nan 8.380 nan 0.000 0.517 1114 L N 2.662 123.878 121.223 -0.011 0.000 2.325 1114 L HA 0.297 4.628 4.340 -0.016 0.000 0.284 1114 L C -0.249 176.628 176.870 0.012 0.000 1.089 1114 L CA -0.159 54.681 54.840 -0.000 0.000 0.836 1114 L CB 0.278 42.327 42.059 -0.017 0.000 1.184 1114 L HN -0.059 nan 8.230 nan 0.000 0.444 1115 L N 5.255 126.492 121.223 0.023 0.000 2.453 1115 L HA 0.108 4.439 4.340 -0.016 0.000 0.272 1115 L C 0.070 176.971 176.870 0.053 0.000 1.182 1115 L CA 0.165 55.021 54.840 0.027 0.000 0.858 1115 L CB 0.912 42.983 42.059 0.020 0.000 1.120 1115 L HN 0.665 nan 8.230 nan 0.000 0.474 1116 C N 2.901 122.228 119.300 0.044 0.000 2.686 1116 C HA 0.703 5.153 4.460 -0.016 0.000 0.318 1116 C C -0.290 174.723 174.990 0.038 0.000 1.160 1116 C CA -0.350 58.709 59.018 0.068 0.000 1.396 1116 C CB 1.766 29.531 27.740 0.042 0.000 1.924 1116 C HN 0.827 nan 8.230 nan 0.000 0.471 1117 S N 3.525 119.247 115.700 0.036 0.000 2.575 1117 S HA 0.555 5.016 4.470 -0.016 0.000 0.278 1117 S C -1.393 173.174 174.600 -0.055 0.000 1.139 1117 S CA -0.298 57.894 58.200 -0.013 0.000 0.954 1117 S CB 1.431 64.611 63.200 -0.034 0.000 1.054 1117 S HN 0.839 nan 8.310 nan 0.000 0.483 1118 Q N 4.412 124.158 119.800 -0.091 0.000 2.571 1118 Q HA 0.343 4.673 4.340 -0.016 0.000 0.243 1118 Q C -2.379 173.557 176.000 -0.106 0.000 1.055 1118 Q CA -1.894 53.769 55.803 -0.234 0.000 0.815 1118 Q CB 1.420 29.968 28.738 -0.318 0.000 1.151 1118 Q HN 0.509 nan 8.270 nan 0.000 0.519 1119 P HA 0.084 nan 4.420 nan 0.000 0.276 1119 P C -0.281 177.049 177.300 0.050 0.000 1.244 1119 P CA -0.210 62.857 63.100 -0.055 0.000 0.801 1119 P CB 1.390 33.016 31.700 -0.123 0.000 1.006 1120 D N -0.654 119.755 120.400 0.016 0.000 2.162 1120 D HA -0.015 4.615 4.640 -0.016 0.000 0.205 1120 D C 0.998 177.318 176.300 0.032 0.000 0.964 1120 D CA 1.546 55.577 54.000 0.052 0.000 0.847 1120 D CB -0.071 40.755 40.800 0.043 0.000 0.988 1120 D HN 0.533 nan 8.370 nan 0.000 0.480 1121 T N -3.775 110.773 114.554 -0.010 0.000 2.916 1121 T HA 0.551 4.892 4.350 -0.016 0.000 0.292 1121 T C 1.330 176.012 174.700 -0.030 0.000 1.064 1121 T CA -0.392 61.701 62.100 -0.012 0.000 1.011 1121 T CB 1.889 70.750 68.868 -0.012 0.000 1.152 1121 T HN -0.064 nan 8.240 nan 0.000 0.510 1122 G N 0.323 109.114 108.800 -0.016 0.000 2.418 1122 G HA2 -0.122 3.828 3.960 -0.016 0.000 0.217 1122 G HA3 -0.122 3.828 3.960 -0.016 0.000 0.217 1122 G C 1.071 175.953 174.900 -0.030 0.000 1.158 1122 G CA 0.804 45.895 45.100 -0.015 0.000 0.771 1122 G HN 0.816 nan 8.290 nan 0.000 0.545 1123 E N -0.043 120.140 120.200 -0.027 0.000 2.077 1123 E HA -0.132 4.208 4.350 -0.016 0.000 0.193 1123 E C 2.413 178.976 176.600 -0.061 0.000 0.989 1123 E CA 1.260 57.650 56.400 -0.016 0.000 0.800 1123 E CB -0.232 29.477 29.700 0.015 0.000 0.746 1123 E HN 0.632 nan 8.360 nan 0.000 0.452 1124 Q N 0.278 119.990 119.800 -0.146 0.000 2.050 1124 Q HA -0.212 4.118 4.340 -0.016 0.000 0.202 1124 Q C 2.171 177.940 176.000 -0.384 0.000 0.980 1124 Q CA 1.636 57.173 55.803 -0.442 0.000 0.840 1124 Q CB -0.219 28.212 28.738 -0.512 0.000 0.898 1124 Q HN 0.304 nan 8.270 nan 0.000 0.424 1125 A N 0.786 123.480 122.820 -0.211 0.000 1.892 1125 A HA -0.203 4.108 4.320 -0.016 0.000 0.218 1125 A C 2.040 179.564 177.584 -0.099 0.000 1.188 1125 A CA 1.652 53.604 52.037 -0.142 0.000 0.631 1125 A CB -0.773 18.186 19.000 -0.069 0.000 0.822 1125 A HN 0.472 nan 8.150 nan 0.000 0.447 1126 L N -1.193 119.998 121.223 -0.053 0.000 2.179 1126 L HA -0.065 4.266 4.340 -0.016 0.000 0.208 1126 L C 2.546 179.411 176.870 -0.008 0.000 1.096 1126 L CA 0.787 55.625 54.840 -0.003 0.000 0.779 1126 L CB -0.406 41.669 42.059 0.026 0.000 0.922 1126 L HN 0.268 nan 8.230 nan 0.000 0.443 1127 E N 0.499 120.688 120.200 -0.018 0.000 2.106 1127 E HA -0.150 4.190 4.350 -0.016 0.000 0.192 1127 E C 2.275 178.908 176.600 0.055 0.000 0.984 1127 E CA 1.147 57.581 56.400 0.058 0.000 0.806 1127 E CB -0.033 29.781 29.700 0.191 0.000 0.750 1127 E HN 0.499 nan 8.360 nan 0.000 0.458 1128 I N 0.084 120.626 120.570 -0.045 0.000 2.252 1128 I HA -0.315 3.846 4.170 -0.016 0.000 0.245 1128 I C 2.502 178.607 176.117 -0.020 0.000 1.102 1128 I CA 0.620 61.905 61.300 -0.024 0.000 1.385 1128 I CB -0.249 37.688 38.000 -0.104 0.000 1.064 1128 I HN 0.125 nan 8.210 nan 0.000 0.414 1129 C N 0.476 119.748 119.300 -0.047 0.000 2.398 1129 C HA -0.241 4.209 4.460 -0.016 0.000 0.276 1129 C C 2.579 177.552 174.990 -0.029 0.000 1.222 1129 C CA 1.410 60.394 59.018 -0.057 0.000 1.746 1129 C CB -1.006 26.692 27.740 -0.070 0.000 2.039 1129 C HN 0.542 nan 8.230 nan 0.000 0.470 1130 D N 0.319 120.716 120.400 -0.005 0.000 2.097 1130 D HA -0.082 4.548 4.640 -0.016 0.000 0.195 1130 D C 2.209 178.516 176.300 0.012 0.000 0.989 1130 D CA 1.690 55.692 54.000 0.004 0.000 0.827 1130 D CB -0.251 40.560 40.800 0.018 0.000 0.966 1130 D HN 0.407 nan 8.370 nan 0.000 0.456 1131 A N 0.003 122.843 122.820 0.033 0.000 1.902 1131 A HA -0.116 4.195 4.320 -0.016 0.000 0.217 1131 A C 2.420 180.017 177.584 0.020 0.000 1.181 1131 A CA 1.079 53.140 52.037 0.040 0.000 0.623 1131 A CB -0.769 18.278 19.000 0.077 0.000 0.818 1131 A HN 0.341 nan 8.150 nan 0.000 0.443 1132 L N -0.992 120.235 121.223 0.008 0.000 2.056 1132 L HA -0.150 4.181 4.340 -0.016 0.000 0.207 1132 L C 3.135 179.997 176.870 -0.012 0.000 1.078 1132 L CA 0.925 55.762 54.840 -0.005 0.000 0.749 1132 L CB -0.633 41.415 42.059 -0.019 0.000 0.901 1132 L HN 0.438 nan 8.230 nan 0.000 0.433 1133 A N 0.307 123.115 122.820 -0.020 0.000 1.865 1133 A HA -0.244 4.067 4.320 -0.016 0.000 0.217 1133 A C 2.378 179.954 177.584 -0.013 0.000 1.191 1133 A CA 1.730 53.753 52.037 -0.023 0.000 0.623 1133 A CB -0.601 18.381 19.000 -0.031 0.000 0.826 1133 A HN 0.305 nan 8.150 nan 0.000 0.444 1134 R N 0.054 120.550 120.500 -0.007 0.000 2.152 1134 R HA -0.121 4.210 4.340 -0.016 0.000 0.232 1134 R C 2.550 178.852 176.300 0.003 0.000 1.117 1134 R CA 1.501 57.600 56.100 -0.001 0.000 0.981 1134 R CB -0.375 29.928 30.300 0.005 0.000 0.870 1134 R HN 0.771 nan 8.270 nan 0.000 0.451 1135 S N -0.677 115.025 115.700 0.003 0.000 2.423 1135 S HA -0.049 4.412 4.470 -0.016 0.000 0.231 1135 S C 1.631 176.233 174.600 0.003 0.000 1.014 1135 S CA 0.966 59.169 58.200 0.005 0.000 0.965 1135 S CB -0.069 63.134 63.200 0.006 0.000 0.785 1135 S HN 0.502 nan 8.310 nan 0.000 0.495 1136 G N 0.602 109.401 108.800 -0.001 0.000 2.155 1136 G HA2 -0.172 3.778 3.960 -0.016 0.000 0.257 1136 G HA3 -0.172 3.778 3.960 -0.016 0.000 0.257 1136 G C 0.653 175.552 174.900 -0.002 0.000 0.983 1136 G CA 0.233 45.332 45.100 -0.001 0.000 0.676 1136 G HN 1.445 nan 8.290 nan 0.000 0.528 1137 A N -1.188 121.631 122.820 -0.003 0.000 2.343 1137 A HA 0.701 5.011 4.320 -0.016 0.000 0.223 1137 A C 0.790 178.370 177.584 -0.006 0.000 1.214 1137 A CA 1.044 53.079 52.037 -0.003 0.000 0.900 1137 A CB 0.760 19.760 19.000 -0.000 0.000 0.942 1137 A HN 0.970 nan 8.150 nan 0.000 0.507 1138 V N 0.736 120.644 119.914 -0.010 0.000 2.513 1138 V HA 0.260 4.370 4.120 -0.016 0.000 0.299 1138 V C 0.073 176.155 176.094 -0.019 0.000 1.035 1138 V CA -0.541 61.750 62.300 -0.015 0.000 0.889 1138 V CB 1.712 33.524 31.823 -0.019 0.000 0.988 1138 V HN 0.378 nan 8.190 nan 0.000 0.440 1139 D N 1.755 122.143 120.400 -0.020 0.000 2.338 1139 D HA 0.081 4.712 4.640 -0.016 0.000 0.224 1139 D C 0.350 176.633 176.300 -0.030 0.000 0.967 1139 D CA 1.226 55.213 54.000 -0.022 0.000 0.896 1139 D CB 1.521 42.310 40.800 -0.018 0.000 1.028 1139 D HN 0.404 nan 8.370 nan 0.000 0.493 1140 V N 0.833 120.728 119.914 -0.033 0.000 2.638 1140 V HA 0.508 4.619 4.120 -0.016 0.000 0.306 1140 V C -1.500 174.558 176.094 -0.060 0.000 1.052 1140 V CA -0.717 61.554 62.300 -0.047 0.000 0.885 1140 V CB 2.118 33.919 31.823 -0.038 0.000 0.999 1140 V HN -0.092 nan 8.190 nan 0.000 0.424 1141 I N 6.627 127.135 120.570 -0.105 0.000 2.465 1141 I HA 0.626 4.786 4.170 -0.016 0.000 0.291 1141 I C -0.523 175.452 176.117 -0.236 0.000 1.014 1141 I CA -1.033 60.177 61.300 -0.151 0.000 1.093 1141 I CB 2.006 39.901 38.000 -0.174 0.000 1.267 1141 I HN 0.632 nan 8.210 nan 0.000 0.431 1142 V N 7.153 126.895 119.914 -0.286 0.000 2.495 1142 V HA 0.570 4.680 4.120 -0.016 0.000 0.298 1142 V C -0.767 174.960 176.094 -0.611 0.000 1.031 1142 V CA -0.358 61.688 62.300 -0.424 0.000 0.871 1142 V CB 1.999 33.623 31.823 -0.331 0.000 0.988 1142 V HN 0.442 nan 8.190 nan 0.000 0.432 1143 V N 5.972 125.560 119.914 -0.543 0.000 2.333 1143 V HA 0.384 4.495 4.120 -0.016 0.000 0.274 1143 V C -0.003 175.904 176.094 -0.311 0.000 1.028 1143 V CA -0.342 61.705 62.300 -0.422 0.000 0.851 1143 V CB 1.158 32.789 31.823 -0.321 0.000 1.000 1143 V HN 0.958 nan 8.190 nan 0.000 0.456 1144 D N 3.703 123.877 120.400 -0.377 0.000 2.393 1144 D HA 0.292 4.922 4.640 -0.016 0.000 0.232 1144 D C 0.019 176.288 176.300 -0.051 0.000 1.192 1144 D CA 0.653 54.541 54.000 -0.186 0.000 0.882 1144 D CB 0.748 41.493 40.800 -0.091 0.000 1.038 1144 D HN 0.632 nan 8.370 nan 0.000 0.499 1145 S N 1.296 116.987 115.700 -0.016 0.000 3.080 1145 S HA -0.162 4.298 4.470 -0.016 0.000 0.790 1145 S C 1.081 175.696 174.600 0.025 0.000 0.736 1145 S CA 0.299 58.490 58.200 -0.015 0.000 1.493 1145 S CB -0.839 62.318 63.200 -0.071 0.000 1.047 1145 S HN 0.497 nan 8.310 nan 0.000 0.709 1146 V N 2.870 122.807 119.914 0.039 0.000 2.626 1146 V HA 0.058 4.168 4.120 -0.016 0.000 0.252 1146 V C 2.226 178.312 176.094 -0.013 0.000 1.067 1146 V CA 2.375 64.682 62.300 0.011 0.000 1.081 1146 V CB -0.888 30.883 31.823 -0.086 0.000 0.686 1146 V HN 1.443 nan 8.190 nan 0.000 0.468 1147 A N 0.503 123.302 122.820 -0.034 0.000 2.019 1147 A HA 0.147 4.457 4.320 -0.016 0.000 0.219 1147 A C 2.338 179.984 177.584 0.103 0.000 1.164 1147 A CA 1.946 53.978 52.037 -0.008 0.000 0.644 1147 A CB -0.815 18.132 19.000 -0.089 0.000 0.805 1147 A HN 1.141 nan 8.150 nan 0.000 0.449 1148 A N -1.396 121.484 122.820 0.100 0.000 2.275 1148 A HA 0.429 4.740 4.320 -0.016 0.000 0.212 1148 A C 0.442 178.099 177.584 0.122 0.000 1.201 1148 A CA -0.069 52.080 52.037 0.187 0.000 0.843 1148 A CB -0.142 18.965 19.000 0.179 0.000 0.873 1148 A HN 0.271 nan 8.150 nan 0.000 0.492 1149 L N 2.438 123.702 121.223 0.069 0.000 2.448 1149 L HA 0.186 4.517 4.340 -0.016 0.000 0.278 1149 L C -0.049 176.835 176.870 0.024 0.000 1.201 1149 L CA 0.704 55.569 54.840 0.041 0.000 1.036 1149 L CB -0.624 41.449 42.059 0.023 0.000 1.325 1149 L HN 0.086 nan 8.230 nan 0.000 0.441 1150 T N 4.826 119.396 114.554 0.027 0.000 2.743 1150 T HA 0.335 4.675 4.350 -0.016 0.000 0.293 1150 T C -2.270 172.415 174.700 -0.024 0.000 0.945 1150 T CA -1.382 60.719 62.100 0.002 0.000 1.030 1150 T CB 0.910 69.781 68.868 0.006 0.000 0.912 1150 T HN 0.205 nan 8.240 nan 0.000 0.483 1151 P HA 0.042 nan 4.420 nan 0.000 0.266 1151 P C 1.048 178.297 177.300 -0.086 0.000 1.193 1151 P CA -0.314 62.746 63.100 -0.066 0.000 0.770 1151 P CB 0.709 32.355 31.700 -0.089 0.000 0.836 1152 K N 2.993 123.357 120.400 -0.060 0.000 2.074 1152 K HA -0.237 4.073 4.320 -0.016 0.000 0.209 1152 K C 1.714 178.264 176.600 -0.084 0.000 1.048 1152 K CA 2.021 58.280 56.287 -0.048 0.000 0.926 1152 K CB -0.592 31.898 32.500 -0.016 0.000 0.713 1152 K HN 0.484 nan 8.250 nan 0.000 0.444 1153 A N 1.079 123.823 122.820 -0.127 0.000 1.933 1153 A HA -0.209 4.101 4.320 -0.016 0.000 0.218 1153 A C 1.968 179.342 177.584 -0.351 0.000 1.175 1153 A CA 1.840 53.771 52.037 -0.177 0.000 0.628 1153 A CB -0.457 18.447 19.000 -0.160 0.000 0.814 1153 A HN 0.593 nan 8.150 nan 0.000 0.444 1154 E N -0.367 119.539 120.200 -0.490 0.000 2.072 1154 E HA -0.121 4.219 4.350 -0.016 0.000 0.191 1154 E C 1.794 178.307 176.600 -0.145 0.000 0.985 1154 E CA 1.029 57.121 56.400 -0.512 0.000 0.801 1154 E CB -0.207 29.290 29.700 -0.338 0.000 0.750 1154 E HN 0.620 nan 8.360 nan 0.000 0.452 1155 I N 0.989 121.499 120.570 -0.100 0.000 2.286 1155 I HA -0.247 3.914 4.170 -0.016 0.000 0.248 1155 I C 2.051 178.158 176.117 -0.016 0.000 1.115 1155 I CA 1.375 62.653 61.300 -0.038 0.000 1.392 1155 I CB -0.038 37.946 38.000 -0.027 0.000 1.065 1155 I HN 0.171 nan 8.210 nan 0.000 0.418 1156 E N 0.215 120.401 120.200 -0.024 0.000 2.230 1156 E HA 0.021 4.361 4.350 -0.016 0.000 0.192 1156 E C 1.335 177.951 176.600 0.025 0.000 0.987 1156 E CA 0.355 56.756 56.400 0.001 0.000 0.841 1156 E CB -0.109 29.590 29.700 -0.002 0.000 0.783 1156 E HN 0.491 nan 8.360 nan 0.000 0.481 1157 G N 1.035 109.861 108.800 0.043 0.000 2.651 1157 G HA2 0.030 3.981 3.960 -0.016 0.000 0.260 1157 G HA3 0.030 3.981 3.960 -0.016 0.000 0.260 1157 G C -0.178 174.788 174.900 0.109 0.000 1.216 1157 G CA -0.497 44.675 45.100 0.119 0.000 0.913 1157 G HN 0.003 nan 8.290 nan 0.000 0.535 1158 E N -1.224 119.042 120.200 0.109 0.000 2.312 1158 E HA 0.220 4.561 4.350 -0.016 0.000 0.259 1158 E C 0.018 176.675 176.600 0.095 0.000 1.122 1158 E CA -0.398 56.057 56.400 0.092 0.000 0.922 1158 E CB 1.541 31.290 29.700 0.083 0.000 1.109 1158 E HN 0.236 nan 8.360 nan 0.000 0.442 1159 I N 1.292 121.910 120.570 0.080 0.000 2.517 1159 I HA 0.062 4.222 4.170 -0.016 0.000 0.285 1159 I C 1.181 177.324 176.117 0.043 0.000 1.106 1159 I CA 0.920 62.255 61.300 0.057 0.000 1.402 1159 I CB 0.338 38.363 38.000 0.041 0.000 1.399 1159 I HN 0.891 nan 8.210 nan 0.000 0.535 1160 G N 4.116 112.928 108.800 0.020 0.000 2.201 1160 G HA2 -0.199 3.752 3.960 -0.016 0.000 0.212 1160 G HA3 -0.199 3.752 3.960 -0.016 0.000 0.212 1160 G C -0.053 174.822 174.900 -0.041 0.000 0.994 1160 G CA -0.611 44.486 45.100 -0.006 0.000 0.644 1160 G HN 0.553 nan 8.290 nan 0.000 0.508 1161 D N 1.717 122.084 120.400 -0.055 0.000 2.389 1161 D HA 0.478 5.108 4.640 -0.016 0.000 0.247 1161 D C 0.859 176.936 176.300 -0.371 0.000 1.128 1161 D CA 0.834 54.725 54.000 -0.183 0.000 0.884 1161 D CB 1.331 42.044 40.800 -0.145 0.000 1.194 1161 D HN 0.482 nan 8.370 nan 0.000 0.441 1162 S N 2.250 117.724 115.700 -0.377 0.000 2.475 1162 S HA 0.287 4.747 4.470 -0.016 0.000 0.281 1162 S C -0.072 174.237 174.600 -0.485 0.000 1.198 1162 S CA -0.770 57.239 58.200 -0.320 0.000 1.063 1162 S CB 0.845 63.957 63.200 -0.146 0.000 0.972 1162 S HN 0.384 nan 8.310 nan 0.000 0.486 1163 H N 2.649 121.719 119.070 -0.000 0.000 2.429 1163 H HA 0.242 4.789 4.556 -0.016 0.000 0.237 1163 H C -0.282 175.044 175.328 -0.003 0.000 1.378 1163 H CA -0.701 55.347 56.048 -0.001 0.000 1.170 1163 H CB 0.106 29.868 29.762 -0.001 0.000 1.671 1163 H HN 0.474 nan 8.280 nan 0.000 0.541 1164 M N 1.002 120.630 119.600 0.047 0.000 2.501 1164 M HA 0.001 4.472 4.480 -0.016 0.000 0.363 1164 M C 1.256 177.576 176.300 0.035 0.000 1.708 1164 M CA 0.746 56.062 55.300 0.027 0.000 1.078 1164 M CB -0.807 31.795 32.600 0.003 0.000 2.107 1164 M HN 0.857 nan 8.290 nan 0.000 0.466 1165 G N 3.902 112.720 108.800 0.029 0.000 2.249 1165 G HA2 -0.272 3.679 3.960 -0.016 0.000 0.273 1165 G HA3 -0.272 3.679 3.960 -0.016 0.000 0.273 1165 G C 0.677 175.591 174.900 0.023 0.000 1.036 1165 G CA 0.453 45.564 45.100 0.019 0.000 0.824 1165 G HN 0.682 nan 8.290 nan 0.000 0.504 1166 L N -0.058 121.188 121.223 0.040 0.000 2.109 1166 L HA 0.404 4.735 4.340 -0.016 0.000 0.207 1166 L C 2.950 179.821 176.870 0.002 0.000 1.086 1166 L CA 2.870 57.727 54.840 0.028 0.000 0.760 1166 L CB -0.481 41.603 42.059 0.042 0.000 0.910 1166 L HN 0.481 nan 8.230 nan 0.000 0.437 1167 A N -0.771 122.048 122.820 -0.001 0.000 1.930 1167 A HA -0.078 4.232 4.320 -0.016 0.000 0.217 1167 A C 2.417 179.983 177.584 -0.029 0.000 1.175 1167 A CA 1.514 53.539 52.037 -0.019 0.000 0.627 1167 A CB -0.937 18.052 19.000 -0.017 0.000 0.815 1167 A HN 0.484 nan 8.150 nan 0.000 0.443 1168 A N 0.801 123.609 122.820 -0.019 0.000 1.877 1168 A HA -0.173 4.138 4.320 -0.016 0.000 0.216 1168 A C 2.253 179.826 177.584 -0.020 0.000 1.186 1168 A CA 1.777 53.800 52.037 -0.022 0.000 0.620 1168 A CB -0.520 18.475 19.000 -0.009 0.000 0.822 1168 A HN 0.696 nan 8.150 nan 0.000 0.443 1169 R N -0.645 119.850 120.500 -0.009 0.000 2.148 1169 R HA 0.017 4.348 4.340 -0.016 0.000 0.223 1169 R C 2.095 178.387 176.300 -0.014 0.000 1.088 1169 R CA 1.535 57.631 56.100 -0.005 0.000 0.985 1169 R CB -0.488 29.815 30.300 0.006 0.000 0.880 1169 R HN 0.531 nan 8.270 nan 0.000 0.451 1170 M N 0.349 119.937 119.600 -0.020 0.000 2.086 1170 M HA -0.118 4.353 4.480 -0.016 0.000 0.261 1170 M C 1.876 178.145 176.300 -0.051 0.000 1.067 1170 M CA 1.576 56.860 55.300 -0.026 0.000 1.116 1170 M CB 0.022 32.607 32.600 -0.025 0.000 1.348 1170 M HN 0.226 nan 8.290 nan 0.000 0.407 1171 M N -0.505 119.050 119.600 -0.075 0.000 2.108 1171 M HA -0.178 4.292 4.480 -0.016 0.000 0.261 1171 M C 2.435 178.656 176.300 -0.132 0.000 1.066 1171 M CA 1.562 56.785 55.300 -0.130 0.000 1.107 1171 M CB -1.414 31.093 32.600 -0.155 0.000 1.356 1171 M HN 0.388 nan 8.290 nan 0.000 0.406 1172 S N -0.193 115.460 115.700 -0.079 0.000 2.368 1172 S HA -0.196 4.265 4.470 -0.016 0.000 0.225 1172 S C 1.896 176.443 174.600 -0.088 0.000 1.030 1172 S CA 1.448 59.611 58.200 -0.061 0.000 0.999 1172 S CB -0.124 63.070 63.200 -0.010 0.000 0.844 1172 S HN 0.542 nan 8.310 nan 0.000 0.459 1173 Q N 0.062 119.824 119.800 -0.063 0.000 2.079 1173 Q HA -0.045 4.285 4.340 -0.016 0.000 0.200 1173 Q C 2.207 178.156 176.000 -0.086 0.000 0.974 1173 Q CA 1.268 57.039 55.803 -0.053 0.000 0.840 1173 Q CB -0.388 28.343 28.738 -0.011 0.000 0.898 1173 Q HN 0.623 nan 8.270 nan 0.000 0.430 1174 A N 0.959 123.723 122.820 -0.094 0.000 1.883 1174 A HA -0.222 4.089 4.320 -0.016 0.000 0.217 1174 A C 2.061 179.546 177.584 -0.166 0.000 1.186 1174 A CA 1.749 53.732 52.037 -0.091 0.000 0.624 1174 A CB -0.530 18.435 19.000 -0.059 0.000 0.822 1174 A HN 0.402 nan 8.150 nan 0.000 0.444 1175 M N -1.071 118.337 119.600 -0.320 0.000 2.080 1175 M HA -0.142 4.329 4.480 -0.016 0.000 0.260 1175 M C 2.166 178.102 176.300 -0.607 0.000 1.068 1175 M CA 1.813 56.727 55.300 -0.645 0.000 1.109 1175 M CB -1.383 30.434 32.600 -1.304 0.000 1.342 1175 M HN 0.455 nan 8.290 nan 0.000 0.405 1176 R N 0.523 120.772 120.500 -0.418 0.000 2.134 1176 R HA -0.202 4.128 4.340 -0.016 0.000 0.248 1176 R C 2.188 178.440 176.300 -0.080 0.000 1.143 1176 R CA 2.090 58.115 56.100 -0.126 0.000 0.957 1176 R CB -0.044 30.220 30.300 -0.059 0.000 0.867 1176 R HN 0.404 nan 8.270 nan 0.000 0.441 1177 K N -0.507 119.834 120.400 -0.098 0.000 2.137 1177 K HA 0.008 4.318 4.320 -0.016 0.000 0.202 1177 K C 2.070 178.627 176.600 -0.072 0.000 1.052 1177 K CA 0.827 57.074 56.287 -0.066 0.000 0.961 1177 K CB 0.040 32.512 32.500 -0.047 0.000 0.741 1177 K HN 0.136 nan 8.250 nan 0.000 0.452 1178 L N 0.804 121.978 121.223 -0.082 0.000 2.072 1178 L HA -0.116 4.215 4.340 -0.016 0.000 0.205 1178 L C 2.595 179.421 176.870 -0.073 0.000 1.079 1178 L CA 0.925 55.730 54.840 -0.059 0.000 0.752 1178 L CB -0.564 41.483 42.059 -0.020 0.000 0.906 1178 L HN 0.194 nan 8.230 nan 0.000 0.436 1179 A N 0.506 123.284 122.820 -0.069 0.000 1.892 1179 A HA -0.215 4.095 4.320 -0.016 0.000 0.218 1179 A C 2.379 179.809 177.584 -0.257 0.000 1.188 1179 A CA 2.114 54.136 52.037 -0.025 0.000 0.631 1179 A CB -1.406 17.699 19.000 0.175 0.000 0.822 1179 A HN 0.457 nan 8.150 nan 0.000 0.447 1180 G N -0.617 107.913 108.800 -0.450 0.000 2.421 1180 G HA2 -0.274 3.677 3.960 -0.016 0.000 0.216 1180 G HA3 -0.274 3.677 3.960 -0.016 0.000 0.216 1180 G C 1.454 176.130 174.900 -0.372 0.000 1.171 1180 G CA 1.096 45.683 45.100 -0.855 0.000 0.775 1180 G HN 0.716 nan 8.290 nan 0.000 0.543 1181 N N 0.006 118.595 118.700 -0.184 0.000 2.120 1181 N HA -0.013 4.717 4.740 -0.016 0.000 0.188 1181 N C 2.227 177.696 175.510 -0.069 0.000 1.024 1181 N CA 0.577 53.572 53.050 -0.091 0.000 0.852 1181 N CB -0.157 38.297 38.487 -0.057 0.000 1.003 1181 N HN 0.232 nan 8.380 nan 0.000 0.424 1182 L N 0.843 122.023 121.223 -0.072 0.000 2.046 1182 L HA -0.166 4.165 4.340 -0.016 0.000 0.208 1182 L C 2.439 179.298 176.870 -0.019 0.000 1.077 1182 L CA 1.021 55.837 54.840 -0.039 0.000 0.747 1182 L CB -0.303 41.741 42.059 -0.025 0.000 0.896 1182 L HN 0.112 nan 8.230 nan 0.000 0.432 1183 K N 0.628 121.013 120.400 -0.024 0.000 2.026 1183 K HA -0.203 4.107 4.320 -0.016 0.000 0.208 1183 K C 2.035 178.664 176.600 0.048 0.000 1.048 1183 K CA 1.618 57.932 56.287 0.045 0.000 0.929 1183 K CB -0.204 32.388 32.500 0.153 0.000 0.713 1183 K HN 0.216 nan 8.250 nan 0.000 0.439 1184 Q N -0.504 119.313 119.800 0.027 0.000 2.488 1184 Q HA 0.062 4.393 4.340 -0.016 0.000 0.211 1184 Q C 0.744 176.756 176.000 0.021 0.000 0.967 1184 Q CA 1.124 56.950 55.803 0.038 0.000 0.926 1184 Q CB 0.364 29.127 28.738 0.042 0.000 0.992 1184 Q HN 0.267 nan 8.270 nan 0.000 0.506 1185 S N -0.108 115.597 115.700 0.008 0.000 2.559 1185 S HA 0.071 4.532 4.470 -0.016 0.000 0.226 1185 S C 0.217 174.819 174.600 0.003 0.000 1.000 1185 S CA -0.231 57.971 58.200 0.003 0.000 0.948 1185 S CB 0.351 63.547 63.200 -0.006 0.000 0.870 1185 S HN 0.394 nan 8.310 nan 0.000 0.497 1186 N N 2.215 120.921 118.700 0.009 0.000 2.727 1186 N HA -0.139 4.592 4.740 -0.016 0.000 0.249 1186 N C -1.223 174.285 175.510 -0.003 0.000 1.048 1186 N CA 0.838 53.893 53.050 0.008 0.000 0.714 1186 N CB -1.589 36.903 38.487 0.009 0.000 0.959 1186 N HN 0.337 nan 8.380 nan 0.000 0.544 1187 T N 0.801 115.349 114.554 -0.010 0.000 2.767 1187 T HA 0.451 4.791 4.350 -0.016 0.000 0.284 1187 T C 0.207 174.891 174.700 -0.028 0.000 0.973 1187 T CA -0.681 61.405 62.100 -0.023 0.000 0.996 1187 T CB 1.556 70.405 68.868 -0.032 0.000 0.927 1187 T HN 0.278 nan 8.240 nan 0.000 0.456 1188 L N 4.625 125.827 121.223 -0.035 0.000 2.290 1188 L HA 0.535 4.865 4.340 -0.016 0.000 0.284 1188 L C -0.842 175.980 176.870 -0.080 0.000 1.078 1188 L CA -0.277 54.538 54.840 -0.042 0.000 0.815 1188 L CB 0.304 42.342 42.059 -0.035 0.000 1.162 1188 L HN 0.613 nan 8.230 nan 0.000 0.435 1189 L N 7.029 128.194 121.223 -0.097 0.000 2.319 1189 L HA 0.523 4.853 4.340 -0.016 0.000 0.281 1189 L C -0.957 175.777 176.870 -0.225 0.000 1.005 1189 L CA -0.468 54.249 54.840 -0.206 0.000 0.828 1189 L CB 1.190 43.108 42.059 -0.234 0.000 1.227 1189 L HN 0.668 nan 8.230 nan 0.000 0.415 1190 I N 4.487 124.894 120.570 -0.272 0.000 2.321 1190 I HA 0.274 4.434 4.170 -0.016 0.000 0.291 1190 I C -0.821 175.105 176.117 -0.319 0.000 0.998 1190 I CA -0.320 60.866 61.300 -0.190 0.000 1.227 1190 I CB 1.293 39.230 38.000 -0.106 0.000 1.368 1190 I HN 0.388 nan 8.210 nan 0.000 0.466 1191 F N 6.582 126.506 119.950 -0.043 0.000 2.404 1191 F HA 0.472 4.989 4.527 -0.016 0.000 0.354 1191 F C 0.401 176.185 175.800 -0.027 0.000 1.122 1191 F CA -0.436 57.533 58.000 -0.051 0.000 1.080 1191 F CB 0.993 39.975 39.000 -0.031 0.000 1.131 1191 F HN 0.217 nan 8.300 nan 0.000 0.471 1192 I N 3.477 124.122 120.570 0.125 0.000 2.428 1192 I HA 0.203 4.363 4.170 -0.016 0.000 0.289 1192 I C -0.121 176.054 176.117 0.097 0.000 1.019 1192 I CA -0.076 61.283 61.300 0.098 0.000 1.351 1192 I CB 1.085 39.114 38.000 0.049 0.000 1.412 1192 I HN 0.643 nan 8.210 nan 0.000 0.513 1193 N N 3.892 122.647 118.700 0.093 0.000 2.312 1193 N HA 0.389 5.119 4.740 -0.016 0.000 0.296 1193 N C -1.271 174.215 175.510 -0.041 0.000 1.193 1193 N CA -0.691 52.369 53.050 0.017 0.000 0.773 1193 N CB 1.791 40.290 38.487 0.020 0.000 1.435 1193 N HN 0.542 nan 8.380 nan 0.000 0.484 1194 Q N 0.755 120.414 119.800 -0.235 0.000 2.194 1194 Q HA 0.518 4.848 4.340 -0.016 0.000 0.245 1194 Q C -0.689 175.093 176.000 -0.363 0.000 0.993 1194 Q CA -0.676 54.791 55.803 -0.560 0.000 0.930 1194 Q CB 2.017 30.061 28.738 -1.157 0.000 1.238 1194 Q HN 0.470 nan 8.270 nan 0.000 0.486 1195 I N 1.166 121.534 120.570 -0.336 0.000 2.412 1195 I HA 0.397 4.558 4.170 -0.016 0.000 0.296 1195 I C -0.209 175.893 176.117 -0.025 0.000 0.987 1195 I CA -0.705 60.569 61.300 -0.044 0.000 1.180 1195 I CB 0.970 39.087 38.000 0.195 0.000 1.340 1195 I HN 0.339 nan 8.210 nan 0.000 0.455 1196 R N 4.686 125.170 120.500 -0.027 0.000 2.854 1196 R HA 0.600 4.930 4.340 -0.016 0.000 0.271 1196 R C -1.023 175.283 176.300 0.010 0.000 0.994 1196 R CA -1.312 54.792 56.100 0.007 0.000 0.945 1196 R CB 1.678 31.963 30.300 -0.024 0.000 1.194 1196 R HN 0.370 nan 8.270 nan 0.000 0.476 1197 M N 2.018 121.629 119.600 0.017 0.000 2.249 1197 M HA 0.240 4.710 4.480 -0.016 0.000 0.351 1197 M C 0.015 176.307 176.300 -0.014 0.000 1.180 1197 M CA -0.455 54.846 55.300 0.002 0.000 1.127 1197 M CB 0.748 33.351 32.600 0.005 0.000 1.546 1197 M HN 0.247 nan 8.290 nan 0.000 0.461 1198 K N 4.101 124.486 120.400 -0.025 0.000 2.234 1198 K HA 0.489 4.800 4.320 -0.016 0.000 0.277 1198 K C -0.790 175.785 176.600 -0.041 0.000 1.038 1198 K CA -0.338 55.933 56.287 -0.026 0.000 0.888 1198 K CB 0.508 32.997 32.500 -0.018 0.000 1.091 1198 K HN 0.608 nan 8.250 nan 0.000 0.467 1199 I N 1.851 122.402 120.570 -0.031 0.000 2.696 1199 I HA 0.041 4.202 4.170 -0.016 0.000 0.284 1199 I C 1.248 177.336 176.117 -0.048 0.000 1.129 1199 I CA 0.880 62.157 61.300 -0.038 0.000 1.410 1199 I CB 0.536 38.523 38.000 -0.021 0.000 1.399 1199 I HN 1.038 nan 8.210 nan 0.000 0.579 1200 G N 4.028 112.787 108.800 -0.069 0.000 2.198 1200 G HA2 -0.202 3.749 3.960 -0.016 0.000 0.260 1200 G HA3 -0.202 3.749 3.960 -0.016 0.000 0.260 1200 G C -0.154 174.639 174.900 -0.179 0.000 1.025 1200 G CA -0.146 44.910 45.100 -0.074 0.000 0.769 1200 G HN 0.439 nan 8.290 nan 0.000 0.507 1201 V N 0.633 120.353 119.914 -0.323 0.000 2.304 1201 V HA 0.555 4.666 4.120 -0.016 0.000 0.278 1201 V C 0.410 176.018 176.094 -0.810 0.000 1.018 1201 V CA -0.311 61.539 62.300 -0.751 0.000 0.814 1201 V CB 1.331 32.934 31.823 -0.367 0.000 1.021 1201 V HN 0.319 nan 8.190 nan 0.000 0.440 1202 M N 6.523 125.430 119.600 -1.155 0.000 2.972 1202 M HA 0.471 4.942 4.480 -0.016 0.000 0.323 1202 M C -0.852 175.209 176.300 -0.400 0.000 1.213 1202 M CA 0.251 55.219 55.300 -0.553 0.000 0.935 1202 M CB -0.206 32.248 32.600 -0.244 0.000 1.289 1202 M HN 0.506 nan 8.290 nan 0.000 0.525 1203 F N -2.141 117.811 119.950 0.003 0.000 2.730 1203 F HA 0.812 5.330 4.527 -0.016 0.000 0.335 1203 F C 0.551 176.350 175.800 -0.001 0.000 1.212 1203 F CA -1.224 56.776 58.000 -0.000 0.000 1.016 1203 F CB 0.086 39.085 39.000 -0.001 0.000 1.290 1203 F HN 0.324 nan 8.300 nan 0.000 0.495 1204 G N 2.857 111.738 108.800 0.135 0.000 2.536 1204 G HA2 -0.307 3.644 3.960 -0.016 0.000 0.280 1204 G HA3 -0.307 3.644 3.960 -0.016 0.000 0.280 1204 G C -0.774 174.145 174.900 0.032 0.000 1.152 1204 G CA 0.075 45.224 45.100 0.082 0.000 0.970 1204 G HN 1.036 nan 8.290 nan 0.000 0.549 1205 N N 2.343 121.066 118.700 0.038 0.000 2.437 1205 N HA 0.513 5.243 4.740 -0.016 0.000 0.259 1205 N C -1.353 174.155 175.510 -0.003 0.000 0.983 1205 N CA -1.372 51.688 53.050 0.017 0.000 0.937 1205 N CB 1.750 40.256 38.487 0.032 0.000 1.122 1205 N HN 0.315 nan 8.380 nan 0.000 0.499 1206 P HA 0.059 nan 4.420 nan 0.000 0.249 1206 P C -0.570 176.718 177.300 -0.020 0.000 1.229 1206 P CA 0.503 63.576 63.100 -0.045 0.000 0.788 1206 P CB 0.394 32.057 31.700 -0.062 0.000 1.072 1207 E N 0.260 120.458 120.200 -0.003 0.000 2.331 1207 E HA 0.318 4.659 4.350 -0.016 0.000 0.272 1207 E C 0.026 176.602 176.600 -0.040 0.000 1.036 1207 E CA 0.156 56.556 56.400 -0.001 0.000 0.864 1207 E CB 0.870 30.590 29.700 0.034 0.000 1.035 1207 E HN 0.103 nan 8.360 nan 0.000 0.408 1208 T N 0.220 114.733 114.554 -0.068 0.000 2.669 1208 T HA 0.457 4.797 4.350 -0.016 0.000 0.283 1208 T C -0.372 174.218 174.700 -0.184 0.000 1.019 1208 T CA -0.742 61.283 62.100 -0.125 0.000 1.039 1208 T CB 1.762 70.578 68.868 -0.087 0.000 1.374 1208 T HN 0.302 nan 8.240 nan 0.000 0.523 1209 T N 0.946 115.374 114.554 -0.210 0.000 2.906 1209 T HA 0.622 4.963 4.350 -0.016 0.000 0.295 1209 T C -0.559 174.045 174.700 -0.159 0.000 1.075 1209 T CA -0.406 61.549 62.100 -0.242 0.000 1.005 1209 T CB 1.631 70.278 68.868 -0.369 0.000 1.136 1209 T HN 0.660 nan 8.240 nan 0.000 0.498 1210 T N 1.078 115.544 114.554 -0.147 0.000 2.882 1210 T HA 0.511 4.852 4.350 -0.016 0.000 0.287 1210 T C 1.246 175.884 174.700 -0.103 0.000 1.014 1210 T CA 0.681 62.715 62.100 -0.109 0.000 1.049 1210 T CB 0.798 69.604 68.868 -0.103 0.000 1.001 1210 T HN 1.101 nan 8.240 nan 0.000 0.525 1211 G N 0.238 108.991 108.800 -0.079 0.000 2.141 1211 G HA2 0.209 4.159 3.960 -0.016 0.000 0.242 1211 G HA3 0.209 4.159 3.960 -0.016 0.000 0.242 1211 G C 0.672 175.528 174.900 -0.073 0.000 0.982 1211 G CA 0.114 45.164 45.100 -0.083 0.000 0.662 1211 G HN 1.729 nan 8.290 nan 0.000 0.527 1212 G N -0.513 108.255 108.800 -0.054 0.000 2.587 1212 G HA2 -0.072 3.878 3.960 -0.016 0.000 0.212 1212 G HA3 -0.072 3.878 3.960 -0.016 0.000 0.212 1212 G C 0.390 175.287 174.900 -0.005 0.000 1.327 1212 G CA 0.507 45.593 45.100 -0.023 0.000 0.898 1212 G HN 0.872 nan 8.290 nan 0.000 0.551 1213 N N 0.255 118.988 118.700 0.054 0.000 2.368 1213 N HA 0.226 4.957 4.740 -0.016 0.000 0.178 1213 N C 2.482 178.146 175.510 0.256 0.000 1.076 1213 N CA 1.416 54.547 53.050 0.134 0.000 0.889 1213 N CB -0.095 38.517 38.487 0.208 0.000 1.040 1213 N HN 0.915 nan 8.380 nan 0.000 0.463 1214 A N 1.600 124.543 122.820 0.206 0.000 1.873 1214 A HA -0.162 4.148 4.320 -0.016 0.000 0.218 1214 A C 2.158 179.950 177.584 0.346 0.000 1.193 1214 A CA 1.231 53.449 52.037 0.302 0.000 0.629 1214 A CB -0.832 18.243 19.000 0.125 0.000 0.826 1214 A HN 0.217 nan 8.150 nan 0.000 0.447 1215 L N -0.093 121.193 121.223 0.105 0.000 2.079 1215 L HA -0.185 4.146 4.340 -0.016 0.000 0.210 1215 L C 2.233 179.164 176.870 0.101 0.000 1.081 1215 L CA 2.287 57.154 54.840 0.044 0.000 0.752 1215 L CB -0.625 41.342 42.059 -0.153 0.000 0.896 1215 L HN 0.394 nan 8.230 nan 0.000 0.433 1216 K N -1.174 119.247 120.400 0.035 0.000 2.059 1216 K HA -0.245 4.065 4.320 -0.016 0.000 0.212 1216 K C 2.048 178.589 176.600 -0.099 0.000 1.050 1216 K CA 2.246 58.480 56.287 -0.089 0.000 0.927 1216 K CB -0.478 31.865 32.500 -0.262 0.000 0.714 1216 K HN 0.287 nan 8.250 nan 0.000 0.447 1217 F N -0.864 119.119 119.950 0.055 0.000 2.163 1217 F HA -0.129 4.388 4.527 -0.016 0.000 0.297 1217 F C 2.011 177.775 175.800 -0.061 0.000 1.094 1217 F CA 1.079 59.066 58.000 -0.023 0.000 1.290 1217 F CB -0.269 38.678 39.000 -0.088 0.000 1.017 1217 F HN 0.025 nan 8.300 nan 0.000 0.483 1218 Y N -0.055 120.369 120.300 0.207 0.000 2.519 1218 Y HA 0.269 4.810 4.550 -0.016 0.000 0.287 1218 Y C 1.514 177.477 175.900 0.104 0.000 1.128 1218 Y CA -0.121 58.064 58.100 0.142 0.000 1.282 1218 Y CB -0.598 37.930 38.460 0.114 0.000 1.027 1218 Y HN -0.126 nan 8.280 nan 0.000 0.551 1219 A N -0.171 122.775 122.820 0.211 0.000 2.488 1219 A HA 0.165 4.476 4.320 -0.016 0.000 0.249 1219 A C 1.266 178.896 177.584 0.077 0.000 1.083 1219 A CA 0.303 52.424 52.037 0.140 0.000 0.768 1219 A CB 0.226 19.292 19.000 0.110 0.000 1.017 1219 A HN 0.314 nan 8.150 nan 0.000 0.496 1220 S N 0.663 116.400 115.700 0.062 0.000 2.446 1220 S HA 0.136 4.597 4.470 -0.016 0.000 0.225 1220 S C 0.438 175.020 174.600 -0.030 0.000 1.016 1220 S CA 0.628 58.835 58.200 0.011 0.000 0.943 1220 S CB 0.030 63.240 63.200 0.016 0.000 0.786 1220 S HN 0.570 nan 8.310 nan 0.000 0.508 1221 V N 2.145 122.053 119.914 -0.010 0.000 2.760 1221 V HA 0.484 4.595 4.120 -0.016 0.000 0.309 1221 V C -0.765 175.329 176.094 0.000 0.000 1.077 1221 V CA -0.883 61.396 62.300 -0.034 0.000 0.910 1221 V CB 2.116 33.919 31.823 -0.032 0.000 1.008 1221 V HN 0.125 nan 8.190 nan 0.000 0.424 1222 R N 3.888 124.378 120.500 -0.016 0.000 2.561 1222 R HA 0.701 5.032 4.340 -0.016 0.000 0.297 1222 R C -1.910 174.378 176.300 -0.021 0.000 0.969 1222 R CA -0.906 55.218 56.100 0.039 0.000 0.879 1222 R CB 2.335 32.700 30.300 0.110 0.000 1.178 1222 R HN 0.351 nan 8.270 nan 0.000 0.445 1223 L N 2.274 123.458 121.223 -0.065 0.000 2.356 1223 L HA 0.297 4.628 4.340 -0.016 0.000 0.277 1223 L C -0.415 176.192 176.870 -0.439 0.000 0.996 1223 L CA -0.561 54.185 54.840 -0.157 0.000 0.822 1223 L CB 1.581 43.596 42.059 -0.074 0.000 1.256 1223 L HN 0.494 nan 8.230 nan 0.000 0.413 1224 D N 4.343 124.466 120.400 -0.462 0.000 2.427 1224 D HA 0.274 4.905 4.640 -0.016 0.000 0.226 1224 D C -0.718 175.422 176.300 -0.267 0.000 1.076 1224 D CA -0.185 53.433 54.000 -0.636 0.000 0.849 1224 D CB 0.949 41.491 40.800 -0.429 0.000 1.052 1224 D HN 0.461 nan 8.370 nan 0.000 0.515 1225 I N 3.388 123.838 120.570 -0.201 0.000 2.392 1225 I HA 0.495 4.656 4.170 -0.016 0.000 0.295 1225 I C -0.713 175.382 176.117 -0.036 0.000 0.985 1225 I CA -0.662 60.594 61.300 -0.072 0.000 1.221 1225 I CB 0.698 38.698 38.000 -0.000 0.000 1.366 1225 I HN 0.261 nan 8.210 nan 0.000 0.467 1226 R N 5.508 125.982 120.500 -0.043 0.000 2.626 1226 R HA 0.384 4.715 4.340 -0.016 0.000 0.274 1226 R C -1.142 175.136 176.300 -0.036 0.000 1.031 1226 R CA -0.912 55.176 56.100 -0.020 0.000 0.898 1226 R CB 2.064 32.354 30.300 -0.017 0.000 1.222 1226 R HN 0.565 nan 8.270 nan 0.000 0.455 1227 R N 3.986 124.487 120.500 0.001 0.000 2.234 1227 R HA 0.205 4.536 4.340 -0.016 0.000 0.324 1227 R C 0.676 176.969 176.300 -0.011 0.000 1.054 1227 R CA 0.025 56.127 56.100 0.005 0.000 0.912 1227 R CB 0.423 30.761 30.300 0.063 0.000 1.030 1227 R HN 0.762 nan 8.270 nan 0.000 0.455 1228 I N 0.660 121.207 120.570 -0.038 0.000 4.082 1228 I HA 0.503 4.663 4.170 -0.016 0.000 0.337 1228 I C 0.381 176.476 176.117 -0.037 0.000 1.352 1228 I CA -0.223 61.053 61.300 -0.040 0.000 1.097 1228 I CB 0.974 38.939 38.000 -0.058 0.000 1.048 1228 I HN 0.667 nan 8.210 nan 0.000 0.393 1229 G N 1.049 109.829 108.800 -0.034 0.000 2.320 1229 G HA2 0.606 4.557 3.960 -0.016 0.000 0.296 1229 G HA3 0.606 4.557 3.960 -0.016 0.000 0.296 1229 G C -1.977 172.897 174.900 -0.044 0.000 1.306 1229 G CA -0.235 44.839 45.100 -0.043 0.000 0.836 1229 G HN 0.326 nan 8.290 nan 0.000 0.517 1230 A N -0.719 122.062 122.820 -0.065 0.000 2.324 1230 A HA 0.782 5.092 4.320 -0.016 0.000 0.330 1230 A C -0.281 177.268 177.584 -0.058 0.000 1.165 1230 A CA -0.549 51.447 52.037 -0.069 0.000 0.813 1230 A CB 1.590 20.516 19.000 -0.124 0.000 1.197 1230 A HN 1.476 nan 8.150 nan 0.000 0.484 1231 V N 3.011 122.887 119.914 -0.063 0.000 2.383 1231 V HA 0.347 4.458 4.120 -0.016 0.000 0.275 1231 V C 0.096 176.160 176.094 -0.049 0.000 1.036 1231 V CA -0.277 61.984 62.300 -0.065 0.000 0.889 1231 V CB 0.885 32.651 31.823 -0.095 0.000 0.985 1231 V HN 0.839 nan 8.190 nan 0.000 0.459 1232 K N 3.396 123.776 120.400 -0.033 0.000 2.397 1232 K HA 0.454 4.765 4.320 -0.016 0.000 0.253 1232 K C -0.665 175.930 176.600 -0.009 0.000 0.932 1232 K CA -0.725 55.552 56.287 -0.016 0.000 0.795 1232 K CB 2.424 34.912 32.500 -0.020 0.000 1.159 1232 K HN 0.519 nan 8.250 nan 0.000 0.424 1233 E N 2.260 122.462 120.200 0.003 0.000 2.069 1233 E HA 0.112 4.453 4.350 -0.016 0.000 0.254 1233 E C 0.807 177.412 176.600 0.008 0.000 1.088 1233 E CA -0.028 56.376 56.400 0.007 0.000 1.017 1233 E CB 0.701 30.411 29.700 0.016 0.000 1.226 1233 E HN 0.986 nan 8.360 nan 0.000 0.458 1234 G N 3.689 112.490 108.800 0.001 0.000 3.434 1234 G HA2 -0.449 3.502 3.960 -0.016 0.000 0.343 1234 G HA3 -0.449 3.502 3.960 -0.016 0.000 0.343 1234 G C 1.121 176.023 174.900 0.003 0.000 1.240 1234 G CA 0.702 45.802 45.100 0.000 0.000 0.996 1234 G HN 0.487 nan 8.290 nan 0.000 0.650 1235 E N 1.939 122.145 120.200 0.010 0.000 2.033 1235 E HA -0.019 4.321 4.350 -0.016 0.000 0.189 1235 E C 1.098 177.712 176.600 0.025 0.000 0.979 1235 E CA 1.044 57.453 56.400 0.014 0.000 0.802 1235 E CB -0.374 29.337 29.700 0.019 0.000 0.763 1235 E HN 0.759 nan 8.360 nan 0.000 0.449 1236 N N 1.274 119.996 118.700 0.037 0.000 2.514 1236 N HA 0.168 4.898 4.740 -0.016 0.000 0.277 1236 N C -0.741 174.811 175.510 0.070 0.000 1.126 1236 N CA -0.248 52.840 53.050 0.064 0.000 0.978 1236 N CB 1.672 40.203 38.487 0.073 0.000 1.106 1236 N HN -0.194 nan 8.380 nan 0.000 0.461 1237 V N 2.385 122.368 119.914 0.115 0.000 2.405 1237 V HA 0.029 4.139 4.120 -0.016 0.000 0.264 1237 V C 0.738 176.967 176.094 0.224 0.000 1.048 1237 V CA -0.108 62.279 62.300 0.144 0.000 0.966 1237 V CB 1.019 32.950 31.823 0.180 0.000 1.015 1237 V HN 0.625 nan 8.190 nan 0.000 0.477 1238 V N 4.343 124.300 119.914 0.072 0.000 3.605 1238 V HA 0.628 4.738 4.120 -0.016 0.000 0.284 1238 V C 0.825 176.677 176.094 -0.403 0.000 1.386 1238 V CA 1.181 63.487 62.300 0.009 0.000 1.053 1238 V CB 0.388 32.217 31.823 0.011 0.000 0.857 1238 V HN 0.926 nan 8.190 nan 0.000 0.436 1239 G N -1.041 107.403 108.800 -0.593 0.000 2.550 1239 G HA2 0.494 4.445 3.960 -0.016 0.000 0.293 1239 G HA3 0.494 4.445 3.960 -0.016 0.000 0.293 1239 G C -1.475 173.145 174.900 -0.466 0.000 1.402 1239 G CA -0.270 44.231 45.100 -0.999 0.000 0.784 1239 G HN 0.009 nan 8.290 nan 0.000 0.482 1240 S N -0.130 115.425 115.700 -0.243 0.000 2.449 1240 S HA 0.506 4.966 4.470 -0.016 0.000 0.310 1240 S C -0.439 174.150 174.600 -0.019 0.000 1.096 1240 S CA -0.428 57.790 58.200 0.030 0.000 1.095 1240 S CB 1.728 65.051 63.200 0.206 0.000 1.007 1240 S HN 0.572 nan 8.310 nan 0.000 0.474 1241 E N 2.090 122.269 120.200 -0.035 0.000 2.290 1241 E HA 0.342 4.682 4.350 -0.016 0.000 0.277 1241 E C -0.661 175.866 176.600 -0.121 0.000 1.035 1241 E CA 0.293 56.649 56.400 -0.073 0.000 0.873 1241 E CB 0.568 30.231 29.700 -0.063 0.000 1.029 1241 E HN 0.460 nan 8.360 nan 0.000 0.419 1242 T N 4.863 119.264 114.554 -0.255 0.000 2.876 1242 T HA 0.489 4.829 4.350 -0.016 0.000 0.289 1242 T C -0.677 173.712 174.700 -0.518 0.000 1.014 1242 T CA -0.745 61.115 62.100 -0.400 0.000 0.986 1242 T CB 1.257 69.780 68.868 -0.576 0.000 1.021 1242 T HN 0.312 nan 8.240 nan 0.000 0.458 1243 R N 1.997 122.294 120.500 -0.339 0.000 2.534 1243 R HA 0.711 5.042 4.340 -0.016 0.000 0.301 1243 R C -1.717 174.475 176.300 -0.180 0.000 0.961 1243 R CA -0.555 55.395 56.100 -0.251 0.000 0.871 1243 R CB 1.354 31.574 30.300 -0.133 0.000 1.170 1243 R HN 0.444 nan 8.270 nan 0.000 0.446 1244 V N 4.527 124.373 119.914 -0.114 0.000 2.487 1244 V HA 0.389 4.499 4.120 -0.016 0.000 0.298 1244 V C -0.397 175.690 176.094 -0.010 0.000 1.028 1244 V CA -0.859 61.423 62.300 -0.029 0.000 0.860 1244 V CB 1.815 33.688 31.823 0.084 0.000 0.991 1244 V HN 0.683 nan 8.190 nan 0.000 0.427 1245 K N 2.974 123.357 120.400 -0.028 0.000 2.159 1245 K HA 0.603 4.914 4.320 -0.016 0.000 0.266 1245 K C -0.874 175.717 176.600 -0.015 0.000 0.975 1245 K CA -0.701 55.590 56.287 0.007 0.000 0.865 1245 K CB 2.245 34.767 32.500 0.037 0.000 1.087 1245 K HN 0.462 nan 8.250 nan 0.000 0.446 1246 V N 4.441 124.350 119.914 -0.009 0.000 2.356 1246 V HA -0.003 4.107 4.120 -0.016 0.000 0.258 1246 V C 1.000 177.014 176.094 -0.133 0.000 1.065 1246 V CA -0.028 62.227 62.300 -0.075 0.000 0.935 1246 V CB 0.842 32.608 31.823 -0.096 0.000 1.061 1246 V HN 0.683 nan 8.190 nan 0.000 0.484 1247 V N 4.217 124.072 119.914 -0.099 0.000 2.878 1247 V HA 0.128 4.238 4.120 -0.016 0.000 0.250 1247 V C 0.897 176.856 176.094 -0.226 0.000 1.075 1247 V CA 1.235 63.510 62.300 -0.042 0.000 1.096 1247 V CB 0.083 31.972 31.823 0.109 0.000 0.724 1247 V HN 0.803 nan 8.190 nan 0.000 0.467 1248 K N 0.764 121.030 120.400 -0.223 0.000 2.464 1248 K HA 0.402 4.712 4.320 -0.016 0.000 0.253 1248 K C -1.561 174.882 176.600 -0.261 0.000 0.933 1248 K CA -0.583 55.545 56.287 -0.264 0.000 0.801 1248 K CB 1.780 34.203 32.500 -0.129 0.000 1.271 1248 K HN 0.109 nan 8.250 nan 0.000 0.430 1249 N N 2.948 121.455 118.700 -0.321 0.000 2.503 1249 N HA 0.222 4.953 4.740 -0.016 0.000 0.287 1249 N C -0.958 174.375 175.510 -0.294 0.000 1.096 1249 N CA -0.382 52.501 53.050 -0.278 0.000 0.936 1249 N CB 1.831 40.136 38.487 -0.303 0.000 1.570 1249 N HN 0.682 nan 8.380 nan 0.000 0.504 1250 K N 2.287 122.555 120.400 -0.220 0.000 2.355 1250 K HA 0.290 4.601 4.320 -0.016 0.000 0.198 1250 K C 1.352 177.802 176.600 -0.250 0.000 1.039 1250 K CA 0.303 56.451 56.287 -0.231 0.000 1.075 1250 K CB 0.366 32.790 32.500 -0.126 0.000 0.870 1250 K HN 0.682 nan 8.250 nan 0.000 0.540 1251 I N -4.084 116.364 120.570 -0.203 0.000 4.181 1251 I HA 0.396 4.556 4.170 -0.016 0.000 0.331 1251 I C 0.260 176.289 176.117 -0.147 0.000 1.312 1251 I CA -0.437 60.774 61.300 -0.149 0.000 1.146 1251 I CB 0.872 38.824 38.000 -0.081 0.000 1.074 1251 I HN -0.171 nan 8.210 nan 0.000 0.402 1252 A N 1.167 123.869 122.820 -0.196 0.000 2.564 1252 A HA 0.798 5.109 4.320 -0.016 0.000 0.291 1252 A C -0.621 176.824 177.584 -0.232 0.000 1.102 1252 A CA -0.254 51.693 52.037 -0.151 0.000 0.660 1252 A CB 0.280 19.232 19.000 -0.080 0.000 1.283 1252 A HN 0.340 nan 8.150 nan 0.000 0.430 1253 A N 1.299 124.024 122.820 -0.158 0.000 2.565 1253 A HA 0.522 4.832 4.320 -0.016 0.000 0.237 1253 A C -1.975 175.419 177.584 -0.316 0.000 1.053 1253 A CA 0.030 51.923 52.037 -0.240 0.000 0.755 1253 A CB -0.776 18.238 19.000 0.024 0.000 0.980 1253 A HN 0.558 nan 8.150 nan 0.000 0.506 1254 P HA 0.566 nan 4.420 nan 0.000 0.284 1254 P C -0.171 176.936 177.300 -0.323 0.000 1.292 1254 P CA -0.308 62.423 63.100 -0.615 0.000 0.800 1254 P CB 0.257 31.277 31.700 -1.133 0.000 1.188 1255 F N -4.476 115.454 119.950 -0.033 0.000 2.699 1255 F HA -0.192 4.325 4.527 -0.016 0.000 0.343 1255 F C 0.667 176.480 175.800 0.021 0.000 0.633 1255 F CA 0.592 58.600 58.000 0.013 0.000 1.365 1255 F CB -2.440 36.594 39.000 0.058 0.000 1.795 1255 F HN 0.232 nan 8.300 nan 0.000 0.304 1256 K N 1.319 121.791 120.400 0.120 0.000 2.138 1256 K HA 0.506 4.817 4.320 -0.016 0.000 0.251 1256 K C 0.477 177.119 176.600 0.069 0.000 1.015 1256 K CA -0.268 56.072 56.287 0.088 0.000 0.917 1256 K CB 0.757 33.289 32.500 0.053 0.000 1.021 1256 K HN 0.425 nan 8.250 nan 0.000 0.485 1257 Q N -0.345 119.491 119.800 0.059 0.000 2.456 1257 Q HA 0.733 5.064 4.340 -0.016 0.000 0.283 1257 Q C -1.716 174.313 176.000 0.049 0.000 1.084 1257 Q CA -1.299 54.532 55.803 0.047 0.000 0.801 1257 Q CB 2.066 30.826 28.738 0.037 0.000 1.434 1257 Q HN 0.530 nan 8.270 nan 0.000 0.419 1258 A N 1.219 124.075 122.820 0.059 0.000 2.365 1258 A HA 0.671 4.981 4.320 -0.016 0.000 0.318 1258 A C -1.211 176.393 177.584 0.033 0.000 1.091 1258 A CA -0.616 51.483 52.037 0.105 0.000 0.763 1258 A CB 1.687 20.819 19.000 0.220 0.000 1.248 1258 A HN 0.748 nan 8.150 nan 0.000 0.442 1259 E N 0.462 120.685 120.200 0.038 0.000 2.234 1259 E HA 0.658 4.998 4.350 -0.016 0.000 0.266 1259 E C -1.438 175.172 176.600 0.017 0.000 0.877 1259 E CA -0.309 56.028 56.400 -0.105 0.000 0.758 1259 E CB 1.964 31.622 29.700 -0.070 0.000 1.170 1259 E HN 0.613 nan 8.360 nan 0.000 0.415 1260 F N -0.955 118.989 119.950 -0.011 0.000 2.779 1260 F HA 0.439 4.956 4.527 -0.016 0.000 0.316 1260 F C -1.155 174.640 175.800 -0.009 0.000 1.164 1260 F CA -1.215 56.775 58.000 -0.017 0.000 0.924 1260 F CB 0.902 39.892 39.000 -0.016 0.000 1.348 1260 F HN 0.151 nan 8.300 nan 0.000 0.467 1261 Q N 1.306 121.275 119.800 0.282 0.000 2.245 1261 Q HA 0.657 4.988 4.340 -0.016 0.000 0.256 1261 Q C -1.148 175.014 176.000 0.270 0.000 0.942 1261 Q CA -0.761 55.137 55.803 0.158 0.000 0.896 1261 Q CB 2.831 31.609 28.738 0.066 0.000 1.272 1261 Q HN 0.580 nan 8.270 nan 0.000 0.442 1262 I N 3.468 124.141 120.570 0.171 0.000 2.328 1262 I HA 0.244 4.404 4.170 -0.016 0.000 0.287 1262 I C -0.650 175.460 176.117 -0.012 0.000 1.012 1262 I CA -0.453 60.948 61.300 0.168 0.000 1.195 1262 I CB 0.723 38.872 38.000 0.249 0.000 1.350 1262 I HN 0.354 nan 8.210 nan 0.000 0.464 1263 L N 6.942 128.165 121.223 0.001 0.000 2.275 1263 L HA 0.358 4.689 4.340 -0.016 0.000 0.288 1263 L C -0.595 176.303 176.870 0.047 0.000 1.046 1263 L CA -0.887 53.897 54.840 -0.093 0.000 0.805 1263 L CB 0.348 42.394 42.059 -0.022 0.000 1.193 1263 L HN 0.378 nan 8.230 nan 0.000 0.426 1264 Y N 1.621 122.013 120.300 0.154 0.000 2.610 1264 Y HA 0.207 4.747 4.550 -0.016 0.000 0.332 1264 Y C 1.504 177.531 175.900 0.210 0.000 1.201 1264 Y CA 0.219 58.443 58.100 0.206 0.000 1.465 1264 Y CB 0.056 38.608 38.460 0.153 0.000 1.283 1264 Y HN 0.856 nan 8.280 nan 0.000 0.563 1265 G N 1.682 110.790 108.800 0.512 0.000 2.168 1265 G HA2 -0.371 3.579 3.960 -0.016 0.000 0.263 1265 G HA3 -0.371 3.579 3.960 -0.016 0.000 0.263 1265 G C 0.775 175.707 174.900 0.054 0.000 0.977 1265 G CA 0.876 46.143 45.100 0.278 0.000 0.659 1265 G HN 0.726 nan 8.290 nan 0.000 0.533 1266 E N -1.735 118.498 120.200 0.055 0.000 2.571 1266 E HA 0.453 4.794 4.350 -0.016 0.000 0.204 1266 E C 1.363 177.954 176.600 -0.016 0.000 0.851 1266 E CA 1.189 57.594 56.400 0.008 0.000 1.358 1266 E CB 0.494 30.220 29.700 0.043 0.000 1.327 1266 E HN 1.757 nan 8.360 nan 0.000 0.665 1267 G N 0.952 109.774 108.800 0.037 0.000 2.428 1267 G HA2 -0.167 3.783 3.960 -0.016 0.000 0.202 1267 G HA3 -0.167 3.783 3.960 -0.016 0.000 0.202 1267 G C -0.598 174.342 174.900 0.067 0.000 1.247 1267 G CA -0.403 44.721 45.100 0.040 0.000 1.020 1267 G HN 0.175 nan 8.290 nan 0.000 0.529 1268 I N 1.567 122.158 120.570 0.034 0.000 2.668 1268 I HA 0.018 4.179 4.170 -0.016 0.000 0.285 1268 I C 0.792 176.933 176.117 0.040 0.000 1.168 1268 I CA -0.129 61.181 61.300 0.016 0.000 1.424 1268 I CB 0.572 38.463 38.000 -0.181 0.000 1.377 1268 I HN 0.466 nan 8.210 nan 0.000 0.560 1269 N N 6.800 125.550 118.700 0.083 0.000 2.744 1269 N HA -0.069 4.662 4.740 -0.016 0.000 0.290 1269 N C 0.622 176.168 175.510 0.061 0.000 1.206 1269 N CA 0.224 53.326 53.050 0.087 0.000 1.119 1269 N CB -0.163 38.372 38.487 0.079 0.000 1.449 1269 N HN 0.516 nan 8.380 nan 0.000 0.514 1270 F N 2.860 122.735 119.950 -0.125 0.000 2.102 1270 F HA -0.183 4.335 4.527 -0.016 0.000 0.298 1270 F C 0.935 176.602 175.800 -0.222 0.000 1.105 1270 F CA 1.538 59.391 58.000 -0.245 0.000 1.239 1270 F CB -0.137 38.617 39.000 -0.410 0.000 0.991 1270 F HN 0.389 nan 8.300 nan 0.000 0.474 1271 Y N 0.481 120.836 120.300 0.092 0.000 2.352 1271 Y HA 0.018 4.558 4.550 -0.016 0.000 0.292 1271 Y C 2.630 178.471 175.900 -0.098 0.000 1.136 1271 Y CA 0.922 59.016 58.100 -0.009 0.000 1.227 1271 Y CB -1.284 37.221 38.460 0.075 0.000 0.991 1271 Y HN 0.146 nan 8.280 nan 0.000 0.545 1272 G N 0.007 108.839 108.800 0.054 0.000 2.459 1272 G HA2 -0.258 3.693 3.960 -0.016 0.000 0.217 1272 G HA3 -0.258 3.693 3.960 -0.016 0.000 0.217 1272 G C 1.495 176.357 174.900 -0.062 0.000 1.183 1272 G CA 1.082 46.178 45.100 -0.005 0.000 0.776 1272 G HN 0.399 nan 8.290 nan 0.000 0.552 1273 E N -0.281 119.845 120.200 -0.124 0.000 2.070 1273 E HA -0.157 4.183 4.350 -0.016 0.000 0.197 1273 E C 2.404 178.885 176.600 -0.198 0.000 1.004 1273 E CA 0.921 57.223 56.400 -0.163 0.000 0.805 1273 E CB -0.231 29.312 29.700 -0.261 0.000 0.744 1273 E HN 0.301 nan 8.360 nan 0.000 0.451 1274 L N 0.669 121.712 121.223 -0.301 0.000 2.042 1274 L HA -0.181 4.150 4.340 -0.016 0.000 0.210 1274 L C 2.215 179.040 176.870 -0.074 0.000 1.076 1274 L CA 1.379 56.087 54.840 -0.220 0.000 0.749 1274 L CB -0.421 41.513 42.059 -0.207 0.000 0.893 1274 L HN -0.023 nan 8.230 nan 0.000 0.432 1275 V N -0.174 119.710 119.914 -0.049 0.000 2.220 1275 V HA -0.341 3.770 4.120 -0.016 0.000 0.246 1275 V C 2.328 178.430 176.094 0.013 0.000 1.049 1275 V CA 2.102 64.380 62.300 -0.036 0.000 1.003 1275 V CB -0.804 30.938 31.823 -0.135 0.000 0.634 1275 V HN 0.424 nan 8.190 nan 0.000 0.444 1276 D N -0.093 120.308 120.400 0.002 0.000 2.116 1276 D HA -0.161 4.469 4.640 -0.016 0.000 0.193 1276 D C 2.034 178.354 176.300 0.032 0.000 0.998 1276 D CA 1.156 55.178 54.000 0.035 0.000 0.836 1276 D CB -0.357 40.454 40.800 0.018 0.000 0.951 1276 D HN 0.164 nan 8.370 nan 0.000 0.449 1277 L N 0.607 121.829 121.223 -0.002 0.000 2.046 1277 L HA -0.026 4.304 4.340 -0.016 0.000 0.208 1277 L C 2.527 179.413 176.870 0.027 0.000 1.077 1277 L CA 1.643 56.483 54.840 0.001 0.000 0.747 1277 L CB -1.620 40.417 42.059 -0.037 0.000 0.896 1277 L HN 0.080 nan 8.230 nan 0.000 0.432 1278 G N -1.066 107.755 108.800 0.034 0.000 2.446 1278 G HA2 -0.195 3.756 3.960 -0.016 0.000 0.217 1278 G HA3 -0.195 3.756 3.960 -0.016 0.000 0.217 1278 G C 1.755 176.716 174.900 0.101 0.000 1.168 1278 G CA 1.033 46.175 45.100 0.071 0.000 0.771 1278 G HN 0.272 nan 8.290 nan 0.000 0.551 1279 V N 0.801 120.784 119.914 0.115 0.000 2.295 1279 V HA -0.146 3.964 4.120 -0.016 0.000 0.246 1279 V C 2.700 178.842 176.094 0.082 0.000 1.049 1279 V CA 2.200 64.575 62.300 0.125 0.000 1.024 1279 V CB -0.376 31.551 31.823 0.174 0.000 0.648 1279 V HN 0.401 nan 8.190 nan 0.000 0.447 1280 K N -0.138 120.302 120.400 0.066 0.000 2.103 1280 K HA -0.196 4.114 4.320 -0.016 0.000 0.207 1280 K C 1.741 178.368 176.600 0.045 0.000 1.048 1280 K CA 1.430 57.746 56.287 0.048 0.000 0.930 1280 K CB -0.010 32.513 32.500 0.039 0.000 0.716 1280 K HN 0.365 nan 8.250 nan 0.000 0.444 1281 E N 0.745 120.976 120.200 0.051 0.000 2.465 1281 E HA -0.009 4.331 4.350 -0.016 0.000 0.191 1281 E C -0.236 176.399 176.600 0.058 0.000 1.053 1281 E CA 0.135 56.565 56.400 0.051 0.000 0.869 1281 E CB 0.477 30.208 29.700 0.051 0.000 0.977 1281 E HN 0.184 nan 8.360 nan 0.000 0.483 1282 K N -0.142 120.296 120.400 0.063 0.000 3.129 1282 K HA -0.194 4.117 4.320 -0.016 0.000 0.273 1282 K C 0.881 177.530 176.600 0.081 0.000 1.123 1282 K CA 0.448 56.772 56.287 0.062 0.000 0.800 1282 K CB -2.124 30.401 32.500 0.042 0.000 1.238 1282 K HN 0.254 nan 8.250 nan 0.000 0.492 1283 L N -0.570 120.723 121.223 0.118 0.000 2.357 1283 L HA 0.238 4.569 4.340 -0.016 0.000 0.211 1283 L C 1.145 178.174 176.870 0.265 0.000 1.075 1283 L CA 0.428 55.378 54.840 0.183 0.000 0.830 1283 L CB 0.183 42.368 42.059 0.209 0.000 0.996 1283 L HN 0.103 nan 8.230 nan 0.000 0.467 1284 I N 0.010 120.714 120.570 0.222 0.000 2.378 1284 I HA 0.201 4.361 4.170 -0.016 0.000 0.291 1284 I C -0.179 176.036 176.117 0.165 0.000 0.992 1284 I CA -0.549 60.901 61.300 0.249 0.000 1.154 1284 I CB 2.029 40.176 38.000 0.245 0.000 1.315 1284 I HN -0.080 nan 8.210 nan 0.000 0.448 1285 E N 6.049 126.326 120.200 0.127 0.000 2.301 1285 E HA 0.264 4.605 4.350 -0.016 0.000 0.275 1285 E C -0.757 175.851 176.600 0.013 0.000 1.030 1285 E CA -0.327 56.105 56.400 0.054 0.000 0.852 1285 E CB 1.005 30.717 29.700 0.021 0.000 1.060 1285 E HN 0.317 nan 8.360 nan 0.000 0.401 1286 K N 2.722 123.085 120.400 -0.063 0.000 2.616 1286 K HA 0.525 4.836 4.320 -0.016 0.000 0.241 1286 K C -1.728 174.786 176.600 -0.143 0.000 0.961 1286 K CA -0.631 55.523 56.287 -0.221 0.000 0.942 1286 K CB 1.085 33.385 32.500 -0.334 0.000 1.153 1286 K HN 0.505 nan 8.250 nan 0.000 0.452 1287 A N 3.370 126.136 122.820 -0.090 0.000 2.444 1287 A HA 0.605 4.916 4.320 -0.016 0.000 0.332 1287 A C 0.798 178.377 177.584 -0.008 0.000 1.430 1287 A CA 0.384 52.402 52.037 -0.031 0.000 0.975 1287 A CB 0.128 19.129 19.000 0.001 0.000 1.147 1287 A HN 1.020 nan 8.150 nan 0.000 0.524 1288 G N 1.974 110.746 108.800 -0.046 0.000 2.687 1288 G HA2 -0.070 3.881 3.960 -0.016 0.000 0.303 1288 G HA3 -0.070 3.881 3.960 -0.016 0.000 0.303 1288 G C 1.291 176.124 174.900 -0.111 0.000 1.209 1288 G CA 0.900 45.974 45.100 -0.043 0.000 0.968 1288 G HN 1.991 nan 8.290 nan 0.000 0.549 1289 A N -0.876 121.883 122.820 -0.102 0.000 2.303 1289 A HA 0.517 4.827 4.320 -0.016 0.000 0.217 1289 A C 0.605 178.030 177.584 -0.265 0.000 1.205 1289 A CA 0.448 52.370 52.037 -0.191 0.000 0.875 1289 A CB 0.056 18.939 19.000 -0.194 0.000 0.910 1289 A HN 0.564 nan 8.150 nan 0.000 0.501 1290 W N -0.123 121.085 121.300 -0.155 0.000 2.335 1290 W HA 0.505 5.155 4.660 -0.016 0.000 0.306 1290 W C -0.730 175.665 176.519 -0.206 0.000 1.216 1290 W CA -0.080 57.205 57.345 -0.100 0.000 1.237 1290 W CB 0.368 29.787 29.460 -0.068 0.000 1.243 1290 W HN 0.233 nan 8.180 nan 0.000 0.493 1291 Y N 2.569 123.010 120.300 0.235 0.000 2.330 1291 Y HA 0.450 4.991 4.550 -0.016 0.000 0.336 1291 Y C 0.495 176.452 175.900 0.096 0.000 1.036 1291 Y CA -0.341 57.831 58.100 0.120 0.000 1.125 1291 Y CB 1.404 39.892 38.460 0.046 0.000 1.194 1291 Y HN 0.139 nan 8.280 nan 0.000 0.469 1292 S N 2.435 118.240 115.700 0.176 0.000 2.526 1292 S HA 0.422 4.883 4.470 -0.016 0.000 0.293 1292 S C -1.960 172.707 174.600 0.111 0.000 1.092 1292 S CA -0.799 57.441 58.200 0.066 0.000 0.980 1292 S CB 1.361 64.567 63.200 0.009 0.000 1.048 1292 S HN 0.493 nan 8.310 nan 0.000 0.483 1293 Y N 2.634 122.864 120.300 -0.117 0.000 2.350 1293 Y HA 0.377 4.917 4.550 -0.016 0.000 0.338 1293 Y C 0.153 176.029 175.900 -0.039 0.000 0.961 1293 Y CA -1.066 56.997 58.100 -0.061 0.000 1.100 1293 Y CB 0.695 39.116 38.460 -0.065 0.000 1.179 1293 Y HN 0.797 nan 8.280 nan 0.000 0.454 1294 K N 4.852 124.919 120.400 -0.555 0.000 3.177 1294 K HA -0.274 4.036 4.320 -0.016 0.000 0.266 1294 K C 0.958 177.436 176.600 -0.203 0.000 0.937 1294 K CA 1.025 57.049 56.287 -0.438 0.000 0.702 1294 K CB -1.672 30.476 32.500 -0.586 0.000 1.365 1294 K HN 1.295 nan 8.250 nan 0.000 0.466 1295 G N -0.128 108.588 108.800 -0.141 0.000 2.320 1295 G HA2 -0.346 3.604 3.960 -0.016 0.000 0.242 1295 G HA3 -0.346 3.604 3.960 -0.016 0.000 0.242 1295 G C -0.109 174.734 174.900 -0.096 0.000 1.033 1295 G CA 0.423 45.463 45.100 -0.101 0.000 0.620 1295 G HN 0.458 nan 8.290 nan 0.000 0.517 1296 E N 1.547 121.693 120.200 -0.091 0.000 2.200 1296 E HA 0.378 4.718 4.350 -0.016 0.000 0.283 1296 E C 0.076 176.593 176.600 -0.137 0.000 1.015 1296 E CA -0.509 55.835 56.400 -0.093 0.000 0.819 1296 E CB 0.427 30.101 29.700 -0.042 0.000 1.081 1296 E HN 0.368 nan 8.360 nan 0.000 0.397 1297 K N 4.162 124.471 120.400 -0.151 0.000 2.412 1297 K HA 0.074 4.384 4.320 -0.016 0.000 0.281 1297 K C 1.163 177.647 176.600 -0.194 0.000 1.027 1297 K CA 0.191 56.402 56.287 -0.126 0.000 0.989 1297 K CB 0.522 32.883 32.500 -0.231 0.000 0.935 1297 K HN 0.535 nan 8.250 nan 0.000 0.475 1298 I N -1.497 118.939 120.570 -0.225 0.000 4.187 1298 I HA 0.329 4.489 4.170 -0.016 0.000 0.326 1298 I C 0.561 176.567 176.117 -0.184 0.000 1.302 1298 I CA -0.320 60.587 61.300 -0.654 0.000 1.196 1298 I CB 1.026 38.331 38.000 -1.159 0.000 1.095 1298 I HN 0.567 nan 8.210 nan 0.000 0.411 1299 G N 1.355 110.243 108.800 0.147 0.000 2.384 1299 G HA2 0.182 4.133 3.960 -0.016 0.000 0.300 1299 G HA3 0.182 4.133 3.960 -0.016 0.000 0.300 1299 G C -2.087 172.794 174.900 -0.030 0.000 1.582 1299 G CA -0.695 44.473 45.100 0.114 0.000 0.875 1299 G HN 0.209 nan 8.290 nan 0.000 0.628 1300 Q N 0.388 119.884 119.800 -0.506 0.000 2.303 1300 Q HA 0.553 4.884 4.340 -0.016 0.000 0.257 1300 Q C 0.463 176.294 176.000 -0.280 0.000 0.941 1300 Q CA 0.559 55.882 55.803 -0.799 0.000 0.931 1300 Q CB 1.101 29.012 28.738 -1.377 0.000 1.215 1300 Q HN 2.397 nan 8.270 nan 0.000 0.437 1301 G N 3.011 111.784 108.800 -0.046 0.000 2.722 1301 G HA2 -0.256 3.694 3.960 -0.016 0.000 0.686 1301 G HA3 -0.256 3.694 3.960 -0.016 0.000 0.686 1301 G C 0.017 174.941 174.900 0.041 0.000 1.282 1301 G CA -0.023 45.116 45.100 0.065 0.000 0.817 1301 G HN 0.799 nan 8.290 nan 0.000 0.605 1302 K N 1.010 121.424 120.400 0.024 0.000 2.074 1302 K HA -0.053 4.258 4.320 -0.016 0.000 0.209 1302 K C 2.988 179.473 176.600 -0.190 0.000 1.048 1302 K CA 2.549 58.695 56.287 -0.234 0.000 0.926 1302 K CB -0.359 32.096 32.500 -0.075 0.000 0.713 1302 K HN 1.195 nan 8.250 nan 0.000 0.444 1303 A N 1.284 124.050 122.820 -0.090 0.000 1.892 1303 A HA -0.265 4.046 4.320 -0.016 0.000 0.218 1303 A C 1.798 179.347 177.584 -0.059 0.000 1.188 1303 A CA 2.183 54.184 52.037 -0.059 0.000 0.631 1303 A CB -0.887 18.091 19.000 -0.037 0.000 0.822 1303 A HN 0.565 nan 8.150 nan 0.000 0.447 1304 N N -0.514 118.146 118.700 -0.067 0.000 2.216 1304 N HA 0.018 4.748 4.740 -0.016 0.000 0.183 1304 N C 2.010 177.517 175.510 -0.006 0.000 1.017 1304 N CA 0.776 53.808 53.050 -0.030 0.000 0.861 1304 N CB -0.205 38.257 38.487 -0.042 0.000 0.986 1304 N HN 0.501 nan 8.380 nan 0.000 0.428 1305 A N 0.855 123.609 122.820 -0.110 0.000 1.902 1305 A HA -0.146 4.164 4.320 -0.016 0.000 0.217 1305 A C 2.278 179.849 177.584 -0.022 0.000 1.181 1305 A CA 1.732 53.696 52.037 -0.122 0.000 0.623 1305 A CB -1.015 17.674 19.000 -0.518 0.000 0.818 1305 A HN 0.208 nan 8.150 nan 0.000 0.443 1306 T N 0.515 115.022 114.554 -0.079 0.000 2.652 1306 T HA -0.084 4.257 4.350 -0.016 0.000 0.267 1306 T C 2.236 176.918 174.700 -0.029 0.000 1.039 1306 T CA 1.804 63.893 62.100 -0.020 0.000 1.153 1306 T CB -0.581 68.281 68.868 -0.010 0.000 0.863 1306 T HN 0.626 nan 8.240 nan 0.000 0.428 1307 A N 0.325 123.138 122.820 -0.012 0.000 1.940 1307 A HA -0.146 4.165 4.320 -0.016 0.000 0.219 1307 A C 2.058 179.627 177.584 -0.026 0.000 1.176 1307 A CA 1.699 53.720 52.037 -0.026 0.000 0.631 1307 A CB -1.179 17.825 19.000 0.007 0.000 0.814 1307 A HN 0.715 nan 8.150 nan 0.000 0.446 1308 W N 0.437 121.668 121.300 -0.115 0.000 2.355 1308 W HA -0.117 4.533 4.660 -0.016 0.000 0.309 1308 W C 1.834 178.261 176.519 -0.154 0.000 1.206 1308 W CA 1.842 59.130 57.345 -0.096 0.000 1.284 1308 W CB -0.262 29.174 29.460 -0.039 0.000 1.145 1308 W HN 0.256 nan 8.180 nan 0.000 0.502 1309 L N 0.521 121.732 121.223 -0.020 0.000 2.046 1309 L HA -0.224 4.106 4.340 -0.016 0.000 0.208 1309 L C 2.563 179.024 176.870 -0.682 0.000 1.077 1309 L CA 1.607 56.289 54.840 -0.262 0.000 0.747 1309 L CB -0.926 41.114 42.059 -0.031 0.000 0.896 1309 L HN -0.088 nan 8.230 nan 0.000 0.432 1310 K N -0.087 119.806 120.400 -0.845 0.000 2.103 1310 K HA -0.247 4.063 4.320 -0.016 0.000 0.207 1310 K C 1.583 177.876 176.600 -0.511 0.000 1.048 1310 K CA 1.872 57.604 56.287 -0.924 0.000 0.930 1310 K CB -0.007 32.184 32.500 -0.515 0.000 0.716 1310 K HN 0.186 nan 8.250 nan 0.000 0.444 1311 D N -0.244 119.888 120.400 -0.447 0.000 2.249 1311 D HA -0.028 4.602 4.640 -0.016 0.000 0.205 1311 D C -0.423 175.604 176.300 -0.455 0.000 0.962 1311 D CA 0.674 54.445 54.000 -0.381 0.000 0.860 1311 D CB 0.204 40.801 40.800 -0.337 0.000 0.955 1311 D HN 0.097 nan 8.370 nan 0.000 0.505 1312 N N -0.005 118.312 118.700 -0.638 0.000 2.976 1312 N HA 0.212 4.942 4.740 -0.016 0.000 0.255 1312 N C -2.164 173.121 175.510 -0.375 0.000 1.312 1312 N CA -1.132 51.559 53.050 -0.599 0.000 0.897 1312 N CB 1.783 39.630 38.487 -1.066 0.000 1.184 1312 N HN 0.008 nan 8.380 nan 0.000 0.497 1313 P HA -0.118 nan 4.420 nan 0.000 0.221 1313 P C 0.895 178.168 177.300 -0.046 0.000 1.150 1313 P CA 1.059 64.101 63.100 -0.097 0.000 0.800 1313 P CB 0.463 32.126 31.700 -0.062 0.000 0.787 1314 E N -0.518 119.640 120.200 -0.070 0.000 2.072 1314 E HA -0.102 4.239 4.350 -0.016 0.000 0.191 1314 E C 1.827 178.422 176.600 -0.007 0.000 0.985 1314 E CA 1.475 57.859 56.400 -0.027 0.000 0.801 1314 E CB -1.768 27.917 29.700 -0.025 0.000 0.750 1314 E HN 0.250 nan 8.360 nan 0.000 0.452 1315 T N 1.729 116.259 114.554 -0.041 0.000 2.821 1315 T HA -0.022 4.318 4.350 -0.016 0.000 0.267 1315 T C 2.047 176.726 174.700 -0.036 0.000 1.046 1315 T CA 1.389 63.483 62.100 -0.010 0.000 1.139 1315 T CB -0.245 68.624 68.868 0.001 0.000 0.871 1315 T HN 0.315 nan 8.240 nan 0.000 0.454 1316 A N 2.173 124.978 122.820 -0.024 0.000 1.883 1316 A HA -0.149 4.161 4.320 -0.016 0.000 0.217 1316 A C 2.304 179.953 177.584 0.109 0.000 1.186 1316 A CA 1.299 53.387 52.037 0.084 0.000 0.624 1316 A CB -0.345 18.795 19.000 0.234 0.000 0.822 1316 A HN 0.199 nan 8.150 nan 0.000 0.444 1317 K N -0.141 120.311 120.400 0.087 0.000 2.063 1317 K HA -0.192 4.119 4.320 -0.016 0.000 0.208 1317 K C 1.917 178.556 176.600 0.066 0.000 1.048 1317 K CA 1.682 58.014 56.287 0.075 0.000 0.928 1317 K CB -0.572 31.955 32.500 0.045 0.000 0.713 1317 K HN 0.797 nan 8.250 nan 0.000 0.442 1318 E N 0.619 120.855 120.200 0.059 0.000 2.058 1318 E HA -0.159 4.181 4.350 -0.016 0.000 0.194 1318 E C 2.103 178.749 176.600 0.077 0.000 0.997 1318 E CA 1.075 57.520 56.400 0.076 0.000 0.801 1318 E CB -0.050 29.714 29.700 0.106 0.000 0.746 1318 E HN 0.237 nan 8.360 nan 0.000 0.450 1319 I N 0.920 121.513 120.570 0.039 0.000 2.226 1319 I HA -0.235 3.925 4.170 -0.016 0.000 0.245 1319 I C 2.720 178.867 176.117 0.049 0.000 1.100 1319 I CA 1.244 62.562 61.300 0.030 0.000 1.374 1319 I CB -0.379 37.581 38.000 -0.066 0.000 1.057 1319 I HN 0.256 nan 8.210 nan 0.000 0.413 1320 E N 1.592 121.828 120.200 0.060 0.000 2.077 1320 E HA -0.304 4.037 4.350 -0.016 0.000 0.193 1320 E C 2.227 178.864 176.600 0.062 0.000 0.989 1320 E CA 1.438 57.879 56.400 0.068 0.000 0.800 1320 E CB 0.019 29.801 29.700 0.136 0.000 0.746 1320 E HN 0.328 nan 8.360 nan 0.000 0.452 1321 K N 0.691 121.129 120.400 0.063 0.000 2.063 1321 K HA -0.204 4.107 4.320 -0.016 0.000 0.208 1321 K C 2.097 178.729 176.600 0.052 0.000 1.048 1321 K CA 1.701 58.021 56.287 0.054 0.000 0.928 1321 K CB 0.065 32.596 32.500 0.052 0.000 0.713 1321 K HN -0.044 nan 8.250 nan 0.000 0.442 1322 K N -0.053 120.383 120.400 0.061 0.000 2.057 1322 K HA -0.068 4.242 4.320 -0.016 0.000 0.206 1322 K C 1.953 178.585 176.600 0.052 0.000 1.050 1322 K CA 1.189 57.513 56.287 0.063 0.000 0.935 1322 K CB 0.052 32.603 32.500 0.085 0.000 0.715 1322 K HN -0.037 nan 8.250 nan 0.000 0.439 1323 V N 1.334 121.276 119.914 0.047 0.000 2.343 1323 V HA -0.263 3.848 4.120 -0.016 0.000 0.247 1323 V C 2.177 178.288 176.094 0.028 0.000 1.051 1323 V CA 1.717 64.036 62.300 0.033 0.000 1.036 1323 V CB -0.432 31.399 31.823 0.014 0.000 0.654 1323 V HN 0.270 nan 8.190 nan 0.000 0.451 1324 R N -0.260 120.258 120.500 0.031 0.000 2.066 1324 R HA -0.148 4.182 4.340 -0.016 0.000 0.232 1324 R C 2.352 178.670 176.300 0.029 0.000 1.131 1324 R CA 1.625 57.742 56.100 0.029 0.000 0.955 1324 R CB -0.305 30.015 30.300 0.033 0.000 0.851 1324 R HN 0.597 nan 8.270 nan 0.000 0.432 1325 E N 0.603 120.823 120.200 0.033 0.000 2.085 1325 E HA -0.208 4.132 4.350 -0.016 0.000 0.194 1325 E C 1.983 178.601 176.600 0.031 0.000 0.994 1325 E CA 1.141 57.560 56.400 0.032 0.000 0.801 1325 E CB -0.081 29.640 29.700 0.035 0.000 0.743 1325 E HN 0.287 nan 8.360 nan 0.000 0.453 1326 L N -0.010 121.233 121.223 0.033 0.000 2.156 1326 L HA -0.113 4.218 4.340 -0.016 0.000 0.208 1326 L C 2.026 178.914 176.870 0.030 0.000 1.095 1326 L CA 0.790 55.650 54.840 0.033 0.000 0.770 1326 L CB 0.067 42.148 42.059 0.036 0.000 0.914 1326 L HN 0.150 nan 8.230 nan 0.000 0.439 1327 L N -1.382 119.858 121.223 0.028 0.000 2.701 1327 L HA 0.194 4.525 4.340 -0.016 0.000 0.238 1327 L C 0.381 177.267 176.870 0.026 0.000 1.106 1327 L CA -0.274 54.583 54.840 0.027 0.000 0.898 1327 L CB 0.495 42.568 42.059 0.024 0.000 1.188 1327 L HN 0.052 nan 8.230 nan 0.000 0.508 1328 L N 0.455 121.693 121.223 0.025 0.000 2.367 1328 L HA 0.110 4.440 4.340 -0.016 0.000 0.275 1328 L C 1.471 178.357 176.870 0.026 0.000 1.129 1328 L CA -0.068 54.786 54.840 0.023 0.000 0.839 1328 L CB 1.566 43.638 42.059 0.021 0.000 1.133 1328 L HN 0.162 nan 8.230 nan 0.000 0.453 1329 S N 1.263 116.980 115.700 0.028 0.000 2.421 1329 S HA -0.001 4.460 4.470 -0.016 0.000 0.224 1329 S C 0.714 175.334 174.600 0.034 0.000 1.035 1329 S CA 0.058 58.279 58.200 0.035 0.000 0.953 1329 S CB -0.046 63.179 63.200 0.042 0.000 0.810 1329 S HN 0.715 nan 8.310 nan 0.000 0.497 1330 N N 2.851 121.567 118.700 0.026 0.000 2.990 1330 N HA 0.465 5.196 4.740 -0.016 0.000 0.288 1330 N C -3.147 172.373 175.510 0.017 0.000 1.624 1330 N CA -1.383 51.682 53.050 0.024 0.000 0.961 1330 N CB 1.322 39.821 38.487 0.020 0.000 1.259 1330 N HN 0.342 nan 8.380 nan 0.000 0.489 1331 P HA 0.214 nan 4.420 nan 0.000 0.278 1331 P C -0.033 177.275 177.300 0.013 0.000 1.238 1331 P CA -0.289 62.820 63.100 0.015 0.000 0.794 1331 P CB 1.544 33.255 31.700 0.017 0.000 0.955 1332 N N 0.582 119.288 118.700 0.010 0.000 2.171 1332 N HA 0.026 4.756 4.740 -0.016 0.000 0.209 1332 N C 0.241 175.756 175.510 0.008 0.000 1.036 1332 N CA 0.703 53.758 53.050 0.008 0.000 1.042 1332 N CB -0.385 38.105 38.487 0.004 0.000 1.280 1332 N HN 0.715 nan 8.380 nan 0.000 0.548 2002 I N 1.518 122.088 120.570 0.000 0.000 2.406 2002 I HA -0.051 4.110 4.170 -0.016 0.000 0.249 2002 I C 1.922 178.039 176.117 -0.000 0.000 1.122 2002 I CA 1.666 62.966 61.300 0.000 0.000 1.431 2002 I CB -0.116 37.884 38.000 -0.000 0.000 1.087 2002 I HN 0.481 nan 8.210 nan 0.000 0.424 2003 D N 0.447 120.846 120.400 -0.001 0.000 2.354 2003 D HA -0.091 4.540 4.640 -0.016 0.000 0.209 2003 D C 1.580 177.879 176.300 -0.001 0.000 1.015 2003 D CA 0.535 54.533 54.000 -0.002 0.000 0.867 2003 D CB -0.195 40.603 40.800 -0.004 0.000 0.933 2003 D HN 0.354 nan 8.370 nan 0.000 0.520 2004 E N -0.056 120.143 120.200 -0.001 0.000 2.299 2004 E HA 0.031 4.372 4.350 -0.016 0.000 0.193 2004 E C 1.476 178.076 176.600 0.001 0.000 0.998 2004 E CA 0.141 56.541 56.400 -0.000 0.000 0.851 2004 E CB 0.127 29.827 29.700 -0.000 0.000 0.795 2004 E HN 0.147 nan 8.360 nan 0.000 0.492 2005 N N 0.876 119.576 118.700 0.001 0.000 2.270 2005 N HA -0.078 4.653 4.740 -0.016 0.000 0.181 2005 N C 1.370 176.882 175.510 0.002 0.000 1.016 2005 N CA 0.807 53.858 53.050 0.002 0.000 0.870 2005 N CB 0.090 38.579 38.487 0.003 0.000 0.979 2005 N HN 0.111 nan 8.380 nan 0.000 0.431 2006 K N 1.078 121.479 120.400 0.001 0.000 2.002 2006 K HA -0.093 4.218 4.320 -0.016 0.000 0.209 2006 K C 2.029 178.629 176.600 0.001 0.000 1.048 2006 K CA 1.161 57.448 56.287 0.001 0.000 0.930 2006 K CB -0.092 32.408 32.500 -0.001 0.000 0.714 2006 K HN 0.256 nan 8.250 nan 0.000 0.438 2007 Q N 0.598 120.398 119.800 0.000 0.000 2.119 2007 Q HA -0.156 4.175 4.340 -0.016 0.000 0.201 2007 Q C 2.161 178.162 176.000 0.002 0.000 0.972 2007 Q CA 1.158 56.962 55.803 0.001 0.000 0.847 2007 Q CB 0.003 28.741 28.738 0.000 0.000 0.903 2007 Q HN 0.209 nan 8.270 nan 0.000 0.433 2008 K N 0.779 121.180 120.400 0.002 0.000 2.002 2008 K HA -0.163 4.147 4.320 -0.016 0.000 0.209 2008 K C 1.967 178.570 176.600 0.004 0.000 1.048 2008 K CA 1.427 57.716 56.287 0.003 0.000 0.930 2008 K CB -0.157 32.344 32.500 0.003 0.000 0.714 2008 K HN 0.152 nan 8.250 nan 0.000 0.438 2009 A N 1.380 124.203 122.820 0.004 0.000 1.969 2009 A HA -0.102 4.209 4.320 -0.016 0.000 0.218 2009 A C 2.066 179.654 177.584 0.006 0.000 1.169 2009 A CA 1.028 53.068 52.037 0.005 0.000 0.635 2009 A CB -0.458 18.545 19.000 0.005 0.000 0.810 2009 A HN 0.392 nan 8.150 nan 0.000 0.445 2010 L N -0.101 121.125 121.223 0.005 0.000 1.976 2010 L HA -0.049 4.282 4.340 -0.016 0.000 0.209 2010 L C 2.725 179.601 176.870 0.009 0.000 1.071 2010 L CA 2.279 57.122 54.840 0.006 0.000 0.746 2010 L CB -0.878 41.183 42.059 0.004 0.000 0.890 2010 L HN 0.325 nan 8.230 nan 0.000 0.432 2011 A N -0.468 122.357 122.820 0.007 0.000 1.917 2011 A HA -0.197 4.113 4.320 -0.016 0.000 0.219 2011 A C 2.435 180.025 177.584 0.010 0.000 1.182 2011 A CA 2.199 54.241 52.037 0.008 0.000 0.633 2011 A CB -1.287 17.717 19.000 0.006 0.000 0.819 2011 A HN 0.623 nan 8.150 nan 0.000 0.448 2012 A N -0.265 122.560 122.820 0.008 0.000 1.877 2012 A HA 0.164 4.474 4.320 -0.016 0.000 0.216 2012 A C 2.543 180.134 177.584 0.012 0.000 1.186 2012 A CA 2.204 54.246 52.037 0.008 0.000 0.620 2012 A CB -1.104 17.900 19.000 0.006 0.000 0.822 2012 A HN 1.113 nan 8.150 nan 0.000 0.443 2013 A N -0.769 122.060 122.820 0.015 0.000 1.902 2013 A HA -0.010 4.301 4.320 -0.016 0.000 0.217 2013 A C 2.050 179.653 177.584 0.032 0.000 1.181 2013 A CA 1.718 53.768 52.037 0.023 0.000 0.623 2013 A CB -0.571 18.442 19.000 0.021 0.000 0.818 2013 A HN 0.393 nan 8.150 nan 0.000 0.443 2014 L N -0.075 121.165 121.223 0.028 0.000 2.017 2014 L HA -0.087 4.243 4.340 -0.016 0.000 0.208 2014 L C 2.771 179.661 176.870 0.034 0.000 1.073 2014 L CA 2.033 56.893 54.840 0.034 0.000 0.745 2014 L CB -1.260 40.814 42.059 0.024 0.000 0.894 2014 L HN 0.400 nan 8.230 nan 0.000 0.432 2015 G N -1.749 107.064 108.800 0.022 0.000 2.442 2015 G HA2 -0.358 3.593 3.960 -0.016 0.000 0.219 2015 G HA3 -0.358 3.593 3.960 -0.016 0.000 0.219 2015 G C 1.574 176.480 174.900 0.011 0.000 1.141 2015 G CA 0.944 46.053 45.100 0.015 0.000 0.763 2015 G HN 0.391 nan 8.290 nan 0.000 0.554 2016 Q N 0.309 120.116 119.800 0.011 0.000 2.050 2016 Q HA 0.011 4.342 4.340 -0.016 0.000 0.202 2016 Q C 2.441 178.441 176.000 0.000 0.000 0.980 2016 Q CA 1.240 57.041 55.803 -0.003 0.000 0.840 2016 Q CB -0.365 28.375 28.738 0.003 0.000 0.898 2016 Q HN 0.555 nan 8.270 nan 0.000 0.424 2017 I N 0.439 121.048 120.570 0.065 0.000 2.208 2017 I HA -0.279 3.881 4.170 -0.016 0.000 0.245 2017 I C 2.156 178.371 176.117 0.162 0.000 1.097 2017 I CA 1.543 62.949 61.300 0.177 0.000 1.363 2017 I CB -0.309 37.808 38.000 0.195 0.000 1.051 2017 I HN 0.312 nan 8.210 nan 0.000 0.413 2018 E N 0.534 120.788 120.200 0.090 0.000 2.106 2018 E HA -0.243 4.098 4.350 -0.016 0.000 0.192 2018 E C 2.139 178.753 176.600 0.023 0.000 0.984 2018 E CA 0.886 57.329 56.400 0.072 0.000 0.806 2018 E CB -0.067 29.662 29.700 0.049 0.000 0.750 2018 E HN 0.392 nan 8.360 nan 0.000 0.458 2019 K N 0.940 121.329 120.400 -0.017 0.000 2.057 2019 K HA -0.177 4.134 4.320 -0.016 0.000 0.206 2019 K C 2.171 178.696 176.600 -0.125 0.000 1.050 2019 K CA 1.204 57.459 56.287 -0.054 0.000 0.935 2019 K CB 0.113 32.582 32.500 -0.052 0.000 0.715 2019 K HN 0.063 nan 8.250 nan 0.000 0.439 2020 Q N -1.174 118.483 119.800 -0.240 0.000 2.083 2020 Q HA -0.076 4.254 4.340 -0.016 0.000 0.198 2020 Q C 0.852 176.487 176.000 -0.610 0.000 0.969 2020 Q CA 1.265 56.739 55.803 -0.549 0.000 0.838 2020 Q CB 0.243 28.402 28.738 -0.965 0.000 0.900 2020 Q HN 0.250 nan 8.270 nan 0.000 0.436 2021 F N -1.029 118.927 119.950 0.010 0.000 2.688 2021 F HA 0.390 4.908 4.527 -0.016 0.000 0.310 2021 F C 0.715 176.523 175.800 0.014 0.000 1.098 2021 F CA 0.275 58.283 58.000 0.012 0.000 1.228 2021 F CB 1.119 40.127 39.000 0.014 0.000 1.042 2021 F HN 0.018 nan 8.300 nan 0.000 0.557 2022 G N 0.390 109.261 108.800 0.118 0.000 2.663 2022 G HA2 -0.163 3.788 3.960 -0.016 0.000 0.686 2022 G HA3 -0.163 3.788 3.960 -0.016 0.000 0.686 2022 G C 0.561 175.508 174.900 0.078 0.000 1.288 2022 G CA -0.752 44.398 45.100 0.083 0.000 0.836 2022 G HN -0.099 nan 8.290 nan 0.000 0.584 2023 K N 0.236 120.668 120.400 0.054 0.000 1.974 2023 K HA -0.153 4.157 4.320 -0.016 0.000 0.231 2023 K C 2.446 179.076 176.600 0.051 0.000 1.035 2023 K CA 2.167 58.480 56.287 0.044 0.000 1.044 2023 K CB -0.997 31.524 32.500 0.034 0.000 0.738 2023 K HN 1.225 nan 8.250 nan 0.000 0.447 2024 G N 1.104 109.933 108.800 0.048 0.000 3.332 2024 G HA2 -0.012 3.938 3.960 -0.016 0.000 0.242 2024 G HA3 -0.012 3.938 3.960 -0.016 0.000 0.242 2024 G C 1.169 176.098 174.900 0.049 0.000 1.276 2024 G CA 0.577 45.703 45.100 0.044 0.000 0.988 2024 G HN 0.391 nan 8.290 nan 0.000 0.517 2025 S N -0.557 115.184 115.700 0.068 0.000 2.453 2025 S HA 0.158 4.619 4.470 -0.016 0.000 0.231 2025 S C 0.681 175.306 174.600 0.042 0.000 1.005 2025 S CA 0.158 58.399 58.200 0.068 0.000 0.949 2025 S CB 0.262 63.541 63.200 0.131 0.000 0.774 2025 S HN 0.374 nan 8.310 nan 0.000 0.510 2026 I N 1.069 121.667 120.570 0.047 0.000 2.692 2026 I HA 0.594 4.754 4.170 -0.016 0.000 0.293 2026 I C -1.350 174.785 176.117 0.029 0.000 1.200 2026 I CA -1.230 60.089 61.300 0.032 0.000 1.036 2026 I CB 1.961 39.982 38.000 0.035 0.000 1.258 2026 I HN 0.397 nan 8.210 nan 0.000 0.421 2027 M N 4.096 123.709 119.600 0.022 0.000 2.949 2027 M HA 0.578 5.048 4.480 -0.016 0.000 0.270 2027 M C -1.291 175.017 176.300 0.013 0.000 1.221 2027 M CA -1.078 54.233 55.300 0.018 0.000 0.818 2027 M CB 1.455 34.065 32.600 0.017 0.000 1.635 2027 M HN 0.321 nan 8.290 nan 0.000 0.492 2028 R N 1.162 121.667 120.500 0.008 0.000 2.489 2028 R HA 0.256 4.587 4.340 -0.016 0.000 0.287 2028 R C 0.975 177.273 176.300 -0.003 0.000 1.053 2028 R CA -0.088 56.014 56.100 0.002 0.000 1.036 2028 R CB 0.225 30.525 30.300 -0.001 0.000 0.966 2028 R HN 0.692 nan 8.270 nan 0.000 0.432 2029 L N 2.374 123.591 121.223 -0.010 0.000 2.013 2029 L HA -0.183 4.147 4.340 -0.016 0.000 0.212 2029 L C 1.913 178.770 176.870 -0.021 0.000 1.073 2029 L CA 2.140 56.966 54.840 -0.023 0.000 0.753 2029 L CB -0.543 41.487 42.059 -0.048 0.000 0.890 2029 L HN 1.005 nan 8.230 nan 0.000 0.432 2030 G N -0.186 108.602 108.800 -0.020 0.000 2.485 2030 G HA2 -0.273 3.677 3.960 -0.016 0.000 0.221 2030 G HA3 -0.273 3.677 3.960 -0.016 0.000 0.221 2030 G C 1.128 176.022 174.900 -0.010 0.000 1.115 2030 G CA 0.973 46.062 45.100 -0.017 0.000 0.751 2030 G HN 0.724 nan 8.290 nan 0.000 0.567 2031 E N -0.218 119.979 120.200 -0.006 0.000 2.501 2031 E HA 0.109 4.450 4.350 -0.016 0.000 0.201 2031 E C -0.472 176.129 176.600 0.002 0.000 1.016 2031 E CA -0.423 55.977 56.400 -0.001 0.000 0.920 2031 E CB 0.340 30.041 29.700 0.000 0.000 1.023 2031 E HN 0.133 nan 8.360 nan 0.000 0.474 2032 D N 1.812 122.212 120.400 0.001 0.000 2.393 2032 D HA 0.078 4.708 4.640 -0.016 0.000 0.232 2032 D C 0.766 177.069 176.300 0.006 0.000 1.192 2032 D CA -0.297 53.706 54.000 0.005 0.000 0.882 2032 D CB 0.720 41.523 40.800 0.005 0.000 1.038 2032 D HN -0.092 nan 8.370 nan 0.000 0.499 2033 R N 1.473 121.979 120.500 0.009 0.000 2.115 2033 R HA -0.090 4.240 4.340 -0.016 0.000 0.230 2033 R C 1.892 178.200 176.300 0.013 0.000 1.111 2033 R CA 0.758 56.863 56.100 0.009 0.000 0.976 2033 R CB -0.860 29.445 30.300 0.009 0.000 0.870 2033 R HN 0.474 nan 8.270 nan 0.000 0.445 2034 S N -0.639 115.072 115.700 0.018 0.000 2.595 2034 S HA -0.074 4.387 4.470 -0.016 0.000 0.235 2034 S C 1.696 176.313 174.600 0.028 0.000 0.974 2034 S CA 0.664 58.879 58.200 0.025 0.000 0.942 2034 S CB -0.013 63.207 63.200 0.033 0.000 0.766 2034 S HN 0.122 nan 8.310 nan 0.000 0.536 2035 M N 1.516 121.127 119.600 0.019 0.000 2.465 2035 M HA 0.310 4.781 4.480 -0.016 0.000 0.249 2035 M C -0.789 175.517 176.300 0.011 0.000 1.130 2035 M CA 0.083 55.392 55.300 0.015 0.000 1.067 2035 M CB 0.242 32.843 32.600 0.002 0.000 1.394 2035 M HN 0.004 nan 8.290 nan 0.000 0.483 2036 D N 1.041 121.447 120.400 0.010 0.000 2.458 2036 D HA 0.059 4.689 4.640 -0.016 0.000 0.243 2036 D C -0.388 175.918 176.300 0.010 0.000 1.146 2036 D CA 0.211 54.215 54.000 0.008 0.000 0.877 2036 D CB 0.897 41.701 40.800 0.007 0.000 1.176 2036 D HN -0.095 nan 8.370 nan 0.000 0.461 2037 V N 3.085 123.003 119.914 0.008 0.000 2.508 2037 V HA 0.036 4.146 4.120 -0.016 0.000 0.281 2037 V C 0.714 176.810 176.094 0.003 0.000 1.041 2037 V CA 0.143 62.446 62.300 0.006 0.000 1.016 2037 V CB 0.711 32.534 31.823 0.000 0.000 0.984 2037 V HN 0.438 nan 8.190 nan 0.000 0.478 2038 E N 3.565 123.767 120.200 0.003 0.000 2.212 2038 E HA 0.607 4.947 4.350 -0.016 0.000 0.268 2038 E C -0.552 176.045 176.600 -0.004 0.000 0.902 2038 E CA -0.514 55.886 56.400 -0.000 0.000 0.779 2038 E CB 2.079 31.779 29.700 0.000 0.000 1.172 2038 E HN 0.812 nan 8.360 nan 0.000 0.409 2039 T N 1.019 115.569 114.554 -0.008 0.000 2.924 2039 T HA 0.608 4.948 4.350 -0.016 0.000 0.291 2039 T C -0.352 174.338 174.700 -0.017 0.000 1.045 2039 T CA -0.865 61.228 62.100 -0.012 0.000 1.015 2039 T CB 1.109 69.970 68.868 -0.012 0.000 1.103 2039 T HN 0.255 nan 8.240 nan 0.000 0.496 2040 I N 1.795 122.352 120.570 -0.021 0.000 2.569 2040 I HA 0.451 4.611 4.170 -0.016 0.000 0.296 2040 I C 0.763 176.860 176.117 -0.034 0.000 1.028 2040 I CA -0.735 60.547 61.300 -0.030 0.000 1.082 2040 I CB 1.857 39.839 38.000 -0.031 0.000 1.264 2040 I HN 0.967 nan 8.210 nan 0.000 0.429 2041 S N 2.696 118.369 115.700 -0.046 0.000 2.568 2041 S HA 0.074 4.535 4.470 -0.016 0.000 0.282 2041 S C 1.317 175.884 174.600 -0.056 0.000 1.338 2041 S CA 0.378 58.547 58.200 -0.052 0.000 1.045 2041 S CB 0.440 63.589 63.200 -0.086 0.000 0.873 2041 S HN 0.794 nan 8.310 nan 0.000 0.516 2042 T N 1.040 115.565 114.554 -0.049 0.000 3.081 2042 T HA 0.362 4.703 4.350 -0.016 0.000 0.250 2042 T C 1.492 176.138 174.700 -0.089 0.000 1.100 2042 T CA 0.663 62.730 62.100 -0.055 0.000 1.038 2042 T CB -0.316 68.527 68.868 -0.042 0.000 0.962 2042 T HN 1.611 nan 8.240 nan 0.000 0.516 2043 G N 0.854 109.590 108.800 -0.106 0.000 2.241 2043 G HA2 -0.247 3.703 3.960 -0.016 0.000 0.244 2043 G HA3 -0.247 3.703 3.960 -0.016 0.000 0.244 2043 G C 0.231 175.089 174.900 -0.069 0.000 0.998 2043 G CA 0.224 45.239 45.100 -0.142 0.000 0.621 2043 G HN 1.108 nan 8.290 nan 0.000 0.519 2044 S N -0.096 115.532 115.700 -0.120 0.000 2.449 2044 S HA 0.631 5.092 4.470 -0.016 0.000 0.310 2044 S C 1.175 175.762 174.600 -0.020 0.000 1.096 2044 S CA 0.087 58.167 58.200 -0.199 0.000 1.095 2044 S CB 1.556 64.365 63.200 -0.652 0.000 1.007 2044 S HN 1.039 nan 8.310 nan 0.000 0.474 2045 L N 5.739 126.920 121.223 -0.069 0.000 2.056 2045 L HA 0.044 4.375 4.340 -0.016 0.000 0.207 2045 L C 2.510 179.340 176.870 -0.067 0.000 1.078 2045 L CA 2.668 57.449 54.840 -0.100 0.000 0.749 2045 L CB -0.971 40.790 42.059 -0.497 0.000 0.901 2045 L HN 0.899 nan 8.230 nan 0.000 0.433 2046 S N -1.248 114.415 115.700 -0.062 0.000 2.406 2046 S HA -0.155 4.305 4.470 -0.016 0.000 0.228 2046 S C 2.094 176.726 174.600 0.054 0.000 1.020 2046 S CA 1.117 59.326 58.200 0.015 0.000 0.965 2046 S CB -0.901 62.339 63.200 0.066 0.000 0.798 2046 S HN 0.493 nan 8.310 nan 0.000 0.488 2047 L N 1.481 122.741 121.223 0.061 0.000 2.027 2047 L HA -0.120 4.211 4.340 -0.016 0.000 0.206 2047 L C 2.025 178.911 176.870 0.027 0.000 1.074 2047 L CA 2.033 56.913 54.840 0.067 0.000 0.745 2047 L CB -0.677 41.418 42.059 0.060 0.000 0.898 2047 L HN 0.244 nan 8.230 nan 0.000 0.433 2048 D N 0.110 120.518 120.400 0.013 0.000 2.158 2048 D HA -0.220 4.410 4.640 -0.016 0.000 0.197 2048 D C 2.117 178.424 176.300 0.012 0.000 0.995 2048 D CA 1.402 55.409 54.000 0.013 0.000 0.846 2048 D CB -0.112 40.704 40.800 0.027 0.000 0.941 2048 D HN 0.382 nan 8.370 nan 0.000 0.456 2049 I N 0.726 121.305 120.570 0.014 0.000 2.286 2049 I HA -0.194 3.967 4.170 -0.016 0.000 0.245 2049 I C 2.432 178.559 176.117 0.016 0.000 1.104 2049 I CA 0.879 62.188 61.300 0.015 0.000 1.397 2049 I CB -0.155 37.853 38.000 0.013 0.000 1.072 2049 I HN -0.080 nan 8.210 nan 0.000 0.417 2050 A N 0.765 123.598 122.820 0.022 0.000 1.940 2050 A HA -0.162 4.149 4.320 -0.016 0.000 0.219 2050 A C 2.221 179.803 177.584 -0.003 0.000 1.176 2050 A CA 1.411 53.460 52.037 0.020 0.000 0.631 2050 A CB -0.911 18.109 19.000 0.034 0.000 0.814 2050 A HN 0.411 nan 8.150 nan 0.000 0.446 2051 L N -1.342 119.876 121.223 -0.008 0.000 2.456 2051 L HA 0.023 4.354 4.340 -0.016 0.000 0.224 2051 L C 2.154 179.003 176.870 -0.035 0.000 1.148 2051 L CA 0.661 55.483 54.840 -0.030 0.000 0.825 2051 L CB -0.403 41.642 42.059 -0.023 0.000 0.937 2051 L HN 0.645 nan 8.230 nan 0.000 0.450 2052 G N -0.256 108.534 108.800 -0.017 0.000 2.779 2052 G HA2 -0.440 3.510 3.960 -0.016 0.000 0.230 2052 G HA3 -0.440 3.510 3.960 -0.016 0.000 0.230 2052 G C 1.078 175.974 174.900 -0.007 0.000 1.243 2052 G CA 0.522 45.615 45.100 -0.012 0.000 0.769 2052 G HN 0.468 nan 8.290 nan 0.000 0.516 2053 A N 0.316 123.126 122.820 -0.016 0.000 2.275 2053 A HA 0.572 4.883 4.320 -0.016 0.000 0.212 2053 A C 2.525 180.107 177.584 -0.004 0.000 1.201 2053 A CA 1.895 53.926 52.037 -0.010 0.000 0.843 2053 A CB -0.423 18.566 19.000 -0.018 0.000 0.873 2053 A HN 2.609 nan 8.150 nan 0.000 0.492 2054 G N -2.962 105.836 108.800 -0.002 0.000 2.176 2054 G HA2 0.297 4.248 3.960 -0.016 0.000 0.232 2054 G HA3 0.297 4.248 3.960 -0.016 0.000 0.232 2054 G C 0.895 175.795 174.900 -0.001 0.000 0.986 2054 G CA 0.329 45.432 45.100 0.004 0.000 0.643 2054 G HN 2.130 nan 8.290 nan 0.000 0.522 2055 G N -1.384 107.411 108.800 -0.008 0.000 2.333 2055 G HA2 0.505 4.456 3.960 -0.016 0.000 0.288 2055 G HA3 0.505 4.456 3.960 -0.016 0.000 0.288 2055 G C -0.886 174.004 174.900 -0.017 0.000 1.286 2055 G CA -0.454 44.639 45.100 -0.013 0.000 0.865 2055 G HN 0.868 nan 8.290 nan 0.000 0.506 2056 L N 2.080 123.292 121.223 -0.018 0.000 2.371 2056 L HA 0.438 4.769 4.340 -0.016 0.000 0.272 2056 L C -1.826 175.035 176.870 -0.015 0.000 1.124 2056 L CA -1.671 53.159 54.840 -0.016 0.000 0.816 2056 L CB 1.530 43.580 42.059 -0.015 0.000 1.129 2056 L HN 0.309 nan 8.230 nan 0.000 0.448 2057 P HA 0.167 nan 4.420 nan 0.000 0.286 2057 P C -0.739 176.559 177.300 -0.002 0.000 1.269 2057 P CA -0.559 62.537 63.100 -0.007 0.000 0.787 2057 P CB 0.968 32.665 31.700 -0.005 0.000 0.920 2058 M N 1.933 121.532 119.600 -0.002 0.000 2.248 2058 M HA 0.208 4.678 4.480 -0.016 0.000 0.337 2058 M C 1.588 177.893 176.300 0.009 0.000 1.121 2058 M CA 0.836 56.135 55.300 -0.002 0.000 1.155 2058 M CB -0.798 31.800 32.600 -0.003 0.000 1.514 2058 M HN 0.831 nan 8.290 nan 0.000 0.452 2059 G N 2.381 111.184 108.800 0.006 0.000 2.153 2059 G HA2 -0.208 3.742 3.960 -0.016 0.000 0.252 2059 G HA3 -0.208 3.742 3.960 -0.016 0.000 0.252 2059 G C 0.148 175.066 174.900 0.030 0.000 0.994 2059 G CA -0.010 45.099 45.100 0.015 0.000 0.698 2059 G HN 0.553 nan 8.290 nan 0.000 0.521 2060 R N -1.003 119.513 120.500 0.028 0.000 2.930 2060 R HA 0.753 5.084 4.340 -0.016 0.000 0.257 2060 R C 0.115 176.447 176.300 0.052 0.000 1.107 2060 R CA -1.126 55.005 56.100 0.051 0.000 0.999 2060 R CB 0.854 31.181 30.300 0.045 0.000 1.209 2060 R HN 0.199 nan 8.270 nan 0.000 0.486 2061 I N 0.737 121.365 120.570 0.097 0.000 2.392 2061 I HA 0.395 4.555 4.170 -0.016 0.000 0.295 2061 I C -0.241 175.949 176.117 0.121 0.000 0.985 2061 I CA -0.885 60.494 61.300 0.131 0.000 1.221 2061 I CB 1.787 39.924 38.000 0.228 0.000 1.366 2061 I HN -0.039 nan 8.210 nan 0.000 0.467 2062 V N 5.240 125.223 119.914 0.116 0.000 2.789 2062 V HA 0.380 4.490 4.120 -0.016 0.000 0.311 2062 V C -0.465 175.721 176.094 0.153 0.000 1.073 2062 V CA -0.647 61.710 62.300 0.096 0.000 0.921 2062 V CB 2.146 33.993 31.823 0.040 0.000 1.009 2062 V HN 0.735 nan 8.190 nan 0.000 0.426 2063 E N 3.659 123.947 120.200 0.146 0.000 2.199 2063 E HA 0.679 5.019 4.350 -0.016 0.000 0.269 2063 E C -1.624 175.062 176.600 0.144 0.000 0.899 2063 E CA -0.631 55.879 56.400 0.183 0.000 0.772 2063 E CB 1.836 31.649 29.700 0.189 0.000 1.155 2063 E HN 0.623 nan 8.360 nan 0.000 0.408 2064 I N 5.037 125.692 120.570 0.142 0.000 2.436 2064 I HA 0.357 4.518 4.170 -0.016 0.000 0.289 2064 I C -1.032 175.174 176.117 0.148 0.000 1.010 2064 I CA -0.976 60.370 61.300 0.078 0.000 1.098 2064 I CB 1.033 39.068 38.000 0.057 0.000 1.266 2064 I HN 0.493 nan 8.210 nan 0.000 0.434 2065 Y N 3.908 124.239 120.300 0.051 0.000 2.581 2065 Y HA 0.996 5.536 4.550 -0.016 0.000 0.345 2065 Y C -0.272 175.673 175.900 0.075 0.000 1.036 2065 Y CA -1.117 57.011 58.100 0.046 0.000 1.042 2065 Y CB 1.981 40.452 38.460 0.018 0.000 1.289 2065 Y HN 0.703 nan 8.280 nan 0.000 0.471 2066 G N 0.786 109.765 108.800 0.299 0.000 2.316 2066 G HA2 0.448 4.398 3.960 -0.016 0.000 0.296 2066 G HA3 0.448 4.398 3.960 -0.016 0.000 0.296 2066 G C -3.544 171.568 174.900 0.353 0.000 1.399 2066 G CA -1.311 43.933 45.100 0.240 0.000 0.833 2066 G HN 0.504 nan 8.290 nan 0.000 0.565 2067 P HA 0.283 nan 4.420 nan 0.000 0.272 2067 P C -0.266 177.079 177.300 0.074 0.000 1.254 2067 P CA -0.250 62.979 63.100 0.215 0.000 0.795 2067 P CB 0.238 31.980 31.700 0.070 0.000 1.022 2068 E N -0.632 119.271 120.200 -0.496 0.000 2.413 2068 E HA 0.191 4.531 4.350 -0.016 0.000 0.263 2068 E C 0.112 176.633 176.600 -0.133 0.000 1.015 2068 E CA -0.110 55.988 56.400 -0.504 0.000 0.916 2068 E CB -0.614 28.617 29.700 -0.782 0.000 0.947 2068 E HN 0.268 nan 8.360 nan 0.000 0.440 2069 S N 0.625 116.305 115.700 -0.033 0.000 3.587 2069 S HA -0.225 4.236 4.470 -0.016 0.000 0.337 2069 S C 0.964 175.606 174.600 0.070 0.000 1.119 2069 S CA 0.984 59.190 58.200 0.010 0.000 0.976 2069 S CB -1.785 61.395 63.200 -0.034 0.000 0.922 2069 S HN 0.727 nan 8.310 nan 0.000 0.503 2070 S N -0.234 115.519 115.700 0.089 0.000 2.527 2070 S HA 0.430 4.891 4.470 -0.016 0.000 0.222 2070 S C 1.516 176.187 174.600 0.119 0.000 0.985 2070 S CA 0.768 59.026 58.200 0.097 0.000 0.921 2070 S CB 0.482 63.737 63.200 0.091 0.000 0.772 2070 S HN 1.976 nan 8.310 nan 0.000 0.529 2071 G N 1.255 110.140 108.800 0.141 0.000 2.145 2071 G HA2 -0.175 3.775 3.960 -0.016 0.000 0.145 2071 G HA3 -0.175 3.775 3.960 -0.016 0.000 0.145 2071 G C 0.578 175.581 174.900 0.171 0.000 1.017 2071 G CA 0.096 45.301 45.100 0.176 0.000 0.682 2071 G HN 0.436 nan 8.290 nan 0.000 0.504 2072 K N -0.191 120.300 120.400 0.152 0.000 2.002 2072 K HA -0.047 4.264 4.320 -0.016 0.000 0.209 2072 K C 2.563 179.255 176.600 0.155 0.000 1.048 2072 K CA 1.896 58.268 56.287 0.141 0.000 0.930 2072 K CB -0.365 32.217 32.500 0.136 0.000 0.714 2072 K HN 0.271 nan 8.250 nan 0.000 0.438 2073 T N 0.983 115.640 114.554 0.173 0.000 2.674 2073 T HA -0.148 4.192 4.350 -0.016 0.000 0.265 2073 T C 2.004 176.823 174.700 0.199 0.000 1.039 2073 T CA 1.918 64.147 62.100 0.215 0.000 1.150 2073 T CB -0.511 68.484 68.868 0.213 0.000 0.864 2073 T HN 0.278 nan 8.240 nan 0.000 0.427 2074 T N 2.673 117.346 114.554 0.199 0.000 2.624 2074 T HA -0.129 4.212 4.350 -0.016 0.000 0.268 2074 T C 1.863 176.645 174.700 0.137 0.000 1.041 2074 T CA 1.187 63.405 62.100 0.196 0.000 1.159 2074 T CB -0.644 68.374 68.868 0.250 0.000 0.863 2074 T HN 0.199 nan 8.240 nan 0.000 0.434 2075 L N 0.340 121.649 121.223 0.143 0.000 1.989 2075 L HA -0.201 4.129 4.340 -0.016 0.000 0.211 2075 L C 2.701 179.614 176.870 0.071 0.000 1.071 2075 L CA 1.842 56.742 54.840 0.100 0.000 0.749 2075 L CB -0.909 41.226 42.059 0.127 0.000 0.890 2075 L HN 0.330 nan 8.230 nan 0.000 0.431 2076 T N 0.455 115.071 114.554 0.104 0.000 2.699 2076 T HA -0.238 4.103 4.350 -0.016 0.000 0.268 2076 T C 1.893 176.664 174.700 0.117 0.000 1.036 2076 T CA 1.702 63.869 62.100 0.113 0.000 1.147 2076 T CB -0.242 68.726 68.868 0.167 0.000 0.862 2076 T HN 0.281 nan 8.240 nan 0.000 0.446 2077 L N 0.667 121.960 121.223 0.116 0.000 2.141 2077 L HA -0.073 4.257 4.340 -0.016 0.000 0.209 2077 L C 2.953 179.821 176.870 -0.003 0.000 1.094 2077 L CA 0.906 55.776 54.840 0.049 0.000 0.763 2077 L CB -0.470 41.587 42.059 -0.002 0.000 0.908 2077 L HN 0.227 nan 8.230 nan 0.000 0.437 2078 Q N -0.396 119.399 119.800 -0.009 0.000 2.119 2078 Q HA -0.169 4.162 4.340 -0.016 0.000 0.201 2078 Q C 2.442 178.406 176.000 -0.058 0.000 0.972 2078 Q CA 1.802 57.574 55.803 -0.051 0.000 0.847 2078 Q CB -0.531 28.170 28.738 -0.061 0.000 0.903 2078 Q HN 0.542 nan 8.270 nan 0.000 0.433 2079 V N -0.215 119.681 119.914 -0.031 0.000 2.358 2079 V HA -0.199 3.912 4.120 -0.016 0.000 0.246 2079 V C 2.092 178.168 176.094 -0.031 0.000 1.047 2079 V CA 1.163 63.441 62.300 -0.036 0.000 1.035 2079 V CB -0.477 31.333 31.823 -0.023 0.000 0.658 2079 V HN 0.219 nan 8.190 nan 0.000 0.452 2080 I N 1.107 121.674 120.570 -0.005 0.000 2.163 2080 I HA -0.223 3.937 4.170 -0.016 0.000 0.243 2080 I C 2.951 179.048 176.117 -0.032 0.000 1.085 2080 I CA 1.914 63.213 61.300 -0.003 0.000 1.347 2080 I CB -0.778 37.244 38.000 0.037 0.000 1.044 2080 I HN 0.443 nan 8.210 nan 0.000 0.408 2081 A N 0.644 123.435 122.820 -0.049 0.000 1.883 2081 A HA -0.225 4.085 4.320 -0.016 0.000 0.217 2081 A C 2.535 180.070 177.584 -0.082 0.000 1.186 2081 A CA 2.096 54.091 52.037 -0.070 0.000 0.624 2081 A CB -0.983 17.965 19.000 -0.086 0.000 0.822 2081 A HN 0.458 nan 8.150 nan 0.000 0.444 2082 A N -0.293 122.469 122.820 -0.097 0.000 1.902 2082 A HA 0.150 4.460 4.320 -0.016 0.000 0.217 2082 A C 2.508 180.040 177.584 -0.087 0.000 1.181 2082 A CA 2.176 54.143 52.037 -0.117 0.000 0.623 2082 A CB -1.006 17.911 19.000 -0.138 0.000 0.818 2082 A HN 1.084 nan 8.150 nan 0.000 0.443 2083 A N -0.734 122.047 122.820 -0.065 0.000 1.877 2083 A HA -0.212 4.099 4.320 -0.016 0.000 0.216 2083 A C 2.132 179.689 177.584 -0.045 0.000 1.186 2083 A CA 1.642 53.649 52.037 -0.049 0.000 0.620 2083 A CB -0.592 18.386 19.000 -0.037 0.000 0.822 2083 A HN 0.645 nan 8.150 nan 0.000 0.443 2084 Q N -1.237 118.536 119.800 -0.044 0.000 2.124 2084 Q HA -0.173 4.158 4.340 -0.016 0.000 0.202 2084 Q C 2.288 178.261 176.000 -0.045 0.000 0.977 2084 Q CA 1.499 57.278 55.803 -0.040 0.000 0.850 2084 Q CB -0.151 28.564 28.738 -0.039 0.000 0.901 2084 Q HN 0.566 nan 8.270 nan 0.000 0.429 2085 R N 1.099 121.564 120.500 -0.057 0.000 2.200 2085 R HA -0.124 4.207 4.340 -0.016 0.000 0.234 2085 R C 0.797 177.065 176.300 -0.055 0.000 1.127 2085 R CA 1.105 57.168 56.100 -0.062 0.000 0.989 2085 R CB 0.200 30.450 30.300 -0.084 0.000 0.869 2085 R HN 0.262 nan 8.270 nan 0.000 0.459 2086 E N -1.593 118.576 120.200 -0.052 0.000 2.451 2086 E HA 0.170 4.510 4.350 -0.016 0.000 0.194 2086 E C 0.426 177.006 176.600 -0.033 0.000 1.027 2086 E CA 0.339 56.713 56.400 -0.043 0.000 0.914 2086 E CB 0.923 30.596 29.700 -0.045 0.000 1.054 2086 E HN 0.481 nan 8.360 nan 0.000 0.461 2087 G N 2.179 110.960 108.800 -0.031 0.000 2.159 2087 G HA2 -0.311 3.639 3.960 -0.016 0.000 0.256 2087 G HA3 -0.311 3.639 3.960 -0.016 0.000 0.256 2087 G C 0.212 175.098 174.900 -0.022 0.000 0.977 2087 G CA 0.146 45.231 45.100 -0.025 0.000 0.652 2087 G HN 0.168 nan 8.290 nan 0.000 0.531 2088 K N 0.386 120.771 120.400 -0.025 0.000 2.126 2088 K HA 0.511 4.821 4.320 -0.016 0.000 0.257 2088 K C 0.051 176.640 176.600 -0.019 0.000 1.007 2088 K CA 0.064 56.338 56.287 -0.021 0.000 0.928 2088 K CB 0.682 33.167 32.500 -0.024 0.000 1.013 2088 K HN 0.099 nan 8.250 nan 0.000 0.473 2089 T N 1.347 115.892 114.554 -0.016 0.000 2.794 2089 T HA 0.332 4.673 4.350 -0.016 0.000 0.280 2089 T C -0.498 174.195 174.700 -0.011 0.000 0.987 2089 T CA -0.545 61.547 62.100 -0.012 0.000 0.993 2089 T CB 0.449 69.311 68.868 -0.010 0.000 0.939 2089 T HN 0.536 nan 8.240 nan 0.000 0.449 2090 C N 2.347 121.644 119.300 -0.004 0.000 2.707 2090 C HA 0.981 5.431 4.460 -0.016 0.000 0.313 2090 C C 0.234 175.234 174.990 0.018 0.000 1.209 2090 C CA -0.887 58.134 59.018 0.004 0.000 1.635 2090 C CB 1.019 28.768 27.740 0.015 0.000 2.206 2090 C HN 1.039 nan 8.230 nan 0.000 0.485 2091 A N 1.178 124.008 122.820 0.018 0.000 2.435 2091 A HA 0.871 5.181 4.320 -0.016 0.000 0.304 2091 A C -1.504 176.118 177.584 0.064 0.000 1.064 2091 A CA -0.261 51.796 52.037 0.033 0.000 0.727 2091 A CB 1.068 20.061 19.000 -0.011 0.000 1.284 2091 A HN 0.825 nan 8.150 nan 0.000 0.415 2092 F N 3.175 123.089 119.950 -0.061 0.000 2.499 2092 F HA 0.564 5.081 4.527 -0.016 0.000 0.333 2092 F C -0.797 174.958 175.800 -0.075 0.000 1.138 2092 F CA -0.823 57.138 58.000 -0.066 0.000 0.945 2092 F CB 1.344 40.315 39.000 -0.050 0.000 1.181 2092 F HN 0.372 nan 8.300 nan 0.000 0.435 2093 I N 4.878 125.251 120.570 -0.328 0.000 2.282 2093 I HA 0.118 4.279 4.170 -0.016 0.000 0.290 2093 I C -0.107 175.887 176.117 -0.205 0.000 1.090 2093 I CA -0.353 60.828 61.300 -0.199 0.000 1.231 2093 I CB 0.458 38.331 38.000 -0.213 0.000 1.434 2093 I HN 0.508 nan 8.210 nan 0.000 0.487 2094 D N 5.338 125.755 120.400 0.029 0.000 2.619 2094 D HA 0.325 4.956 4.640 -0.016 0.000 0.224 2094 D C 1.262 177.497 176.300 -0.109 0.000 1.133 2094 D CA -0.046 54.014 54.000 0.099 0.000 1.017 2094 D CB 0.778 41.691 40.800 0.188 0.000 1.077 2094 D HN 0.587 nan 8.370 nan 0.000 0.503 2095 A N 2.381 125.165 122.820 -0.060 0.000 2.015 2095 A HA -0.108 4.202 4.320 -0.016 0.000 0.219 2095 A C 1.925 179.627 177.584 0.197 0.000 1.163 2095 A CA 0.772 52.820 52.037 0.018 0.000 0.646 2095 A CB -0.214 18.809 19.000 0.038 0.000 0.806 2095 A HN 0.518 nan 8.150 nan 0.000 0.448 2096 E N -1.084 119.197 120.200 0.135 0.000 2.427 2096 E HA -0.078 4.262 4.350 -0.016 0.000 0.196 2096 E C -0.544 176.233 176.600 0.294 0.000 1.028 2096 E CA 0.045 56.548 56.400 0.172 0.000 0.864 2096 E CB -0.147 29.576 29.700 0.038 0.000 0.813 2096 E HN 0.694 nan 8.360 nan 0.000 0.514 2097 H N -1.964 117.169 119.070 0.105 0.000 2.677 2097 H HA -0.203 4.343 4.556 -0.016 0.000 0.321 2097 H C -0.107 175.272 175.328 0.084 0.000 1.171 2097 H CA 0.525 56.630 56.048 0.095 0.000 1.139 2097 H CB -1.320 28.498 29.762 0.093 0.000 1.515 2097 H HN 0.241 nan 8.280 nan 0.000 0.423 2098 A N 0.613 123.517 122.820 0.141 0.000 2.596 2098 A HA 0.243 4.554 4.320 -0.016 0.000 0.276 2098 A C 0.218 177.833 177.584 0.051 0.000 0.962 2098 A CA -0.449 51.645 52.037 0.096 0.000 1.010 2098 A CB 0.674 19.728 19.000 0.090 0.000 1.220 2098 A HN 0.143 nan 8.150 nan 0.000 0.549 2099 L N 1.258 122.500 121.223 0.032 0.000 2.360 2099 L HA 0.464 4.795 4.340 -0.016 0.000 0.276 2099 L C -0.532 176.313 176.870 -0.043 0.000 1.121 2099 L CA 0.127 54.936 54.840 -0.051 0.000 0.845 2099 L CB 0.685 42.641 42.059 -0.172 0.000 1.143 2099 L HN 0.226 nan 8.230 nan 0.000 0.452 2100 D N 7.316 127.700 120.400 -0.027 0.000 2.443 2100 D HA 0.305 4.935 4.640 -0.016 0.000 0.221 2100 D C -1.789 174.516 176.300 0.009 0.000 1.097 2100 D CA -2.223 51.781 54.000 0.006 0.000 0.865 2100 D CB 1.479 42.295 40.800 0.028 0.000 1.034 2100 D HN 0.350 nan 8.370 nan 0.000 0.511 2101 P HA -0.163 nan 4.420 nan 0.000 0.215 2101 P C 1.688 178.979 177.300 -0.015 0.000 1.153 2101 P CA 0.622 63.698 63.100 -0.041 0.000 0.853 2101 P CB 0.534 32.213 31.700 -0.035 0.000 0.788 2102 I N -1.546 119.034 120.570 0.016 0.000 2.208 2102 I HA -0.253 3.907 4.170 -0.016 0.000 0.245 2102 I C 2.687 178.838 176.117 0.057 0.000 1.097 2102 I CA 1.484 62.801 61.300 0.029 0.000 1.363 2102 I CB -1.198 36.826 38.000 0.040 0.000 1.051 2102 I HN -0.140 nan 8.210 nan 0.000 0.413 2103 Y N 1.107 121.383 120.300 -0.040 0.000 2.200 2103 Y HA -0.232 4.308 4.550 -0.016 0.000 0.290 2103 Y C 2.475 178.349 175.900 -0.043 0.000 1.137 2103 Y CA 1.299 59.380 58.100 -0.032 0.000 1.163 2103 Y CB -0.644 37.797 38.460 -0.033 0.000 0.988 2103 Y HN 0.143 nan 8.280 nan 0.000 0.518 2104 A N 0.578 123.363 122.820 -0.059 0.000 1.917 2104 A HA -0.260 4.051 4.320 -0.016 0.000 0.219 2104 A C 2.435 179.917 177.584 -0.170 0.000 1.182 2104 A CA 1.961 53.907 52.037 -0.153 0.000 0.633 2104 A CB -0.802 18.109 19.000 -0.149 0.000 0.819 2104 A HN 0.485 nan 8.150 nan 0.000 0.448 2105 R N -0.195 120.232 120.500 -0.122 0.000 2.081 2105 R HA -0.129 4.201 4.340 -0.016 0.000 0.235 2105 R C 2.088 178.311 176.300 -0.129 0.000 1.131 2105 R CA 1.805 57.844 56.100 -0.102 0.000 0.960 2105 R CB -0.276 29.987 30.300 -0.063 0.000 0.856 2105 R HN 0.568 nan 8.270 nan 0.000 0.436 2106 K N 0.290 120.588 120.400 -0.170 0.000 2.152 2106 K HA -0.096 4.215 4.320 -0.016 0.000 0.206 2106 K C 1.795 178.258 176.600 -0.229 0.000 1.048 2106 K CA 1.021 57.197 56.287 -0.184 0.000 0.933 2106 K CB -0.071 32.311 32.500 -0.197 0.000 0.721 2106 K HN 0.239 nan 8.250 nan 0.000 0.447 2107 L N 0.005 121.035 121.223 -0.322 0.000 2.650 2107 L HA 0.074 4.404 4.340 -0.016 0.000 0.235 2107 L C 0.994 177.773 176.870 -0.152 0.000 1.149 2107 L CA 0.340 55.031 54.840 -0.249 0.000 0.887 2107 L CB -0.312 41.575 42.059 -0.287 0.000 1.021 2107 L HN 0.420 nan 8.230 nan 0.000 0.441 2108 G N -0.058 108.664 108.800 -0.131 0.000 2.141 2108 G HA2 -0.241 3.709 3.960 -0.016 0.000 0.242 2108 G HA3 -0.241 3.709 3.960 -0.016 0.000 0.242 2108 G C 0.201 175.047 174.900 -0.089 0.000 0.982 2108 G CA -0.035 45.007 45.100 -0.097 0.000 0.662 2108 G HN 0.119 nan 8.290 nan 0.000 0.527 2109 V N 1.056 120.911 119.914 -0.098 0.000 2.614 2109 V HA 0.333 4.443 4.120 -0.016 0.000 0.291 2109 V C 0.763 176.816 176.094 -0.069 0.000 1.049 2109 V CA 0.031 62.282 62.300 -0.082 0.000 1.038 2109 V CB 1.657 33.423 31.823 -0.095 0.000 0.980 2109 V HN 0.350 nan 8.190 nan 0.000 0.481 2110 D N 4.449 124.816 120.400 -0.055 0.000 2.455 2110 D HA 0.085 4.715 4.640 -0.016 0.000 0.234 2110 D C 1.106 177.380 176.300 -0.043 0.000 1.224 2110 D CA -0.265 53.708 54.000 -0.045 0.000 0.999 2110 D CB 0.323 41.100 40.800 -0.037 0.000 1.072 2110 D HN 0.289 nan 8.370 nan 0.000 0.514 2111 I N 2.368 122.909 120.570 -0.048 0.000 2.194 2111 I HA -0.257 3.904 4.170 -0.016 0.000 0.246 2111 I C 1.552 177.649 176.117 -0.033 0.000 1.093 2111 I CA 1.167 62.438 61.300 -0.048 0.000 1.355 2111 I CB -0.562 37.410 38.000 -0.047 0.000 1.046 2111 I HN 0.383 nan 8.210 nan 0.000 0.413 2112 D N 0.301 120.685 120.400 -0.027 0.000 2.310 2112 D HA -0.096 4.535 4.640 -0.016 0.000 0.212 2112 D C 1.407 177.698 176.300 -0.015 0.000 0.965 2112 D CA 0.721 54.709 54.000 -0.019 0.000 0.879 2112 D CB -0.106 40.684 40.800 -0.017 0.000 0.921 2112 D HN 0.403 nan 8.370 nan 0.000 0.510 2113 N N -0.062 118.628 118.700 -0.017 0.000 2.171 2113 N HA 0.045 4.776 4.740 -0.016 0.000 0.212 2113 N C 0.109 175.614 175.510 -0.009 0.000 1.184 2113 N CA -0.183 52.859 53.050 -0.012 0.000 0.888 2113 N CB 1.491 39.969 38.487 -0.014 0.000 1.038 2113 N HN 0.167 nan 8.380 nan 0.000 0.517 2114 L N 2.664 123.880 121.223 -0.011 0.000 2.325 2114 L HA 0.296 4.627 4.340 -0.016 0.000 0.284 2114 L C -0.259 176.618 176.870 0.011 0.000 1.089 2114 L CA -0.154 54.686 54.840 -0.000 0.000 0.836 2114 L CB 0.274 42.323 42.059 -0.017 0.000 1.184 2114 L HN -0.059 nan 8.230 nan 0.000 0.444 2115 L N 5.284 126.521 121.223 0.022 0.000 2.453 2115 L HA 0.119 4.449 4.340 -0.016 0.000 0.272 2115 L C 0.066 176.967 176.870 0.052 0.000 1.182 2115 L CA 0.140 54.996 54.840 0.027 0.000 0.858 2115 L CB 0.930 43.001 42.059 0.019 0.000 1.120 2115 L HN 0.663 nan 8.230 nan 0.000 0.474 2116 C N 2.902 122.228 119.300 0.044 0.000 2.686 2116 C HA 0.702 5.152 4.460 -0.016 0.000 0.318 2116 C C -0.291 174.721 174.990 0.038 0.000 1.160 2116 C CA -0.347 58.711 59.018 0.067 0.000 1.396 2116 C CB 1.735 29.499 27.740 0.041 0.000 1.924 2116 C HN 0.826 nan 8.230 nan 0.000 0.471 2117 S N 3.589 119.310 115.700 0.036 0.000 2.575 2117 S HA 0.549 5.010 4.470 -0.016 0.000 0.278 2117 S C -1.366 173.201 174.600 -0.055 0.000 1.139 2117 S CA -0.294 57.898 58.200 -0.013 0.000 0.954 2117 S CB 1.418 64.597 63.200 -0.034 0.000 1.054 2117 S HN 0.842 nan 8.310 nan 0.000 0.483 2118 Q N 4.461 124.206 119.800 -0.092 0.000 2.560 2118 Q HA 0.341 4.672 4.340 -0.016 0.000 0.238 2118 Q C -2.368 173.568 176.000 -0.108 0.000 1.079 2118 Q CA -1.889 53.774 55.803 -0.233 0.000 0.866 2118 Q CB 1.391 29.939 28.738 -0.316 0.000 1.153 2118 Q HN 0.508 nan 8.270 nan 0.000 0.530 2119 P HA 0.089 nan 4.420 nan 0.000 0.276 2119 P C -0.286 177.040 177.300 0.043 0.000 1.244 2119 P CA -0.221 62.842 63.100 -0.061 0.000 0.801 2119 P CB 1.396 33.016 31.700 -0.133 0.000 1.006 2120 D N -0.617 119.787 120.400 0.007 0.000 2.162 2120 D HA -0.016 4.614 4.640 -0.016 0.000 0.205 2120 D C 0.997 177.312 176.300 0.025 0.000 0.964 2120 D CA 1.545 55.572 54.000 0.046 0.000 0.847 2120 D CB -0.066 40.758 40.800 0.041 0.000 0.988 2120 D HN 0.533 nan 8.370 nan 0.000 0.480 2121 T N -3.778 110.763 114.554 -0.022 0.000 2.916 2121 T HA 0.550 4.891 4.350 -0.016 0.000 0.292 2121 T C 1.338 176.013 174.700 -0.041 0.000 1.064 2121 T CA -0.392 61.694 62.100 -0.022 0.000 1.011 2121 T CB 1.896 70.752 68.868 -0.020 0.000 1.152 2121 T HN -0.063 nan 8.240 nan 0.000 0.510 2122 G N 0.362 109.146 108.800 -0.025 0.000 2.418 2122 G HA2 -0.133 3.818 3.960 -0.016 0.000 0.217 2122 G HA3 -0.133 3.818 3.960 -0.016 0.000 0.217 2122 G C 1.074 175.950 174.900 -0.039 0.000 1.158 2122 G CA 0.848 45.934 45.100 -0.024 0.000 0.771 2122 G HN 0.820 nan 8.290 nan 0.000 0.545 2123 E N -0.041 120.137 120.200 -0.036 0.000 2.085 2123 E HA -0.141 4.199 4.350 -0.016 0.000 0.194 2123 E C 2.418 178.977 176.600 -0.069 0.000 0.994 2123 E CA 1.306 57.692 56.400 -0.024 0.000 0.801 2123 E CB -0.243 29.461 29.700 0.007 0.000 0.743 2123 E HN 0.636 nan 8.360 nan 0.000 0.453 2124 Q N 0.265 119.967 119.800 -0.164 0.000 2.061 2124 Q HA -0.218 4.113 4.340 -0.016 0.000 0.204 2124 Q C 2.171 177.927 176.000 -0.407 0.000 0.984 2124 Q CA 1.661 57.167 55.803 -0.496 0.000 0.846 2124 Q CB -0.223 28.146 28.738 -0.614 0.000 0.902 2124 Q HN 0.305 nan 8.270 nan 0.000 0.421 2125 A N 0.772 123.456 122.820 -0.227 0.000 1.892 2125 A HA -0.202 4.108 4.320 -0.016 0.000 0.218 2125 A C 2.042 179.565 177.584 -0.101 0.000 1.188 2125 A CA 1.655 53.602 52.037 -0.150 0.000 0.631 2125 A CB -0.780 18.174 19.000 -0.077 0.000 0.822 2125 A HN 0.473 nan 8.150 nan 0.000 0.447 2126 L N -1.172 120.019 121.223 -0.055 0.000 2.179 2126 L HA -0.069 4.262 4.340 -0.016 0.000 0.208 2126 L C 2.548 179.414 176.870 -0.007 0.000 1.096 2126 L CA 0.790 55.628 54.840 -0.004 0.000 0.779 2126 L CB -0.413 41.661 42.059 0.025 0.000 0.922 2126 L HN 0.273 nan 8.230 nan 0.000 0.443 2127 E N 0.504 120.696 120.200 -0.013 0.000 2.106 2127 E HA -0.155 4.185 4.350 -0.016 0.000 0.192 2127 E C 2.274 178.910 176.600 0.060 0.000 0.984 2127 E CA 1.160 57.597 56.400 0.063 0.000 0.806 2127 E CB -0.038 29.781 29.700 0.200 0.000 0.750 2127 E HN 0.502 nan 8.360 nan 0.000 0.458 2128 I N 0.076 120.628 120.570 -0.029 0.000 2.252 2128 I HA -0.313 3.847 4.170 -0.016 0.000 0.245 2128 I C 2.506 178.612 176.117 -0.018 0.000 1.102 2128 I CA 0.614 61.906 61.300 -0.013 0.000 1.385 2128 I CB -0.250 37.697 38.000 -0.088 0.000 1.064 2128 I HN 0.125 nan 8.210 nan 0.000 0.414 2129 C N 0.483 119.755 119.300 -0.046 0.000 2.398 2129 C HA -0.239 4.211 4.460 -0.016 0.000 0.276 2129 C C 2.578 177.551 174.990 -0.029 0.000 1.222 2129 C CA 1.414 60.397 59.018 -0.058 0.000 1.746 2129 C CB -1.000 26.697 27.740 -0.072 0.000 2.039 2129 C HN 0.542 nan 8.230 nan 0.000 0.470 2130 D N 0.313 120.711 120.400 -0.004 0.000 2.097 2130 D HA -0.079 4.551 4.640 -0.016 0.000 0.195 2130 D C 2.204 178.510 176.300 0.011 0.000 0.989 2130 D CA 1.664 55.667 54.000 0.005 0.000 0.827 2130 D CB -0.237 40.576 40.800 0.021 0.000 0.966 2130 D HN 0.408 nan 8.370 nan 0.000 0.456 2131 A N 0.014 122.852 122.820 0.030 0.000 1.902 2131 A HA -0.110 4.201 4.320 -0.016 0.000 0.217 2131 A C 2.419 180.014 177.584 0.018 0.000 1.181 2131 A CA 1.072 53.130 52.037 0.036 0.000 0.623 2131 A CB -0.777 18.265 19.000 0.069 0.000 0.818 2131 A HN 0.339 nan 8.150 nan 0.000 0.443 2132 L N -0.940 120.287 121.223 0.006 0.000 2.056 2132 L HA -0.158 4.172 4.340 -0.016 0.000 0.207 2132 L C 3.131 179.993 176.870 -0.014 0.000 1.078 2132 L CA 0.947 55.783 54.840 -0.006 0.000 0.749 2132 L CB -0.637 41.410 42.059 -0.020 0.000 0.901 2132 L HN 0.438 nan 8.230 nan 0.000 0.433 2133 A N 0.301 123.109 122.820 -0.021 0.000 1.865 2133 A HA -0.238 4.072 4.320 -0.016 0.000 0.217 2133 A C 2.383 179.959 177.584 -0.013 0.000 1.191 2133 A CA 1.705 53.727 52.037 -0.024 0.000 0.623 2133 A CB -0.585 18.396 19.000 -0.031 0.000 0.826 2133 A HN 0.306 nan 8.150 nan 0.000 0.444 2134 R N 0.061 120.557 120.500 -0.007 0.000 2.152 2134 R HA -0.114 4.216 4.340 -0.016 0.000 0.232 2134 R C 2.544 178.846 176.300 0.002 0.000 1.117 2134 R CA 1.464 57.563 56.100 -0.001 0.000 0.981 2134 R CB -0.360 29.943 30.300 0.005 0.000 0.870 2134 R HN 0.767 nan 8.270 nan 0.000 0.451 2135 S N -0.645 115.056 115.700 0.002 0.000 2.423 2135 S HA -0.049 4.411 4.470 -0.016 0.000 0.231 2135 S C 1.637 176.238 174.600 0.002 0.000 1.014 2135 S CA 0.970 59.172 58.200 0.004 0.000 0.965 2135 S CB -0.069 63.133 63.200 0.005 0.000 0.785 2135 S HN 0.498 nan 8.310 nan 0.000 0.495 2136 G N 0.606 109.405 108.800 -0.002 0.000 2.155 2136 G HA2 -0.178 3.773 3.960 -0.016 0.000 0.257 2136 G HA3 -0.178 3.773 3.960 -0.016 0.000 0.257 2136 G C 0.662 175.560 174.900 -0.003 0.000 0.983 2136 G CA 0.239 45.338 45.100 -0.002 0.000 0.676 2136 G HN 1.445 nan 8.290 nan 0.000 0.528 2137 A N -1.174 121.644 122.820 -0.004 0.000 2.343 2137 A HA 0.699 5.010 4.320 -0.016 0.000 0.223 2137 A C 0.800 178.379 177.584 -0.007 0.000 1.214 2137 A CA 1.050 53.084 52.037 -0.004 0.000 0.900 2137 A CB 0.743 19.742 19.000 -0.001 0.000 0.942 2137 A HN 0.969 nan 8.150 nan 0.000 0.507 2138 V N 0.709 120.617 119.914 -0.011 0.000 2.513 2138 V HA 0.259 4.370 4.120 -0.016 0.000 0.299 2138 V C 0.071 176.153 176.094 -0.021 0.000 1.035 2138 V CA -0.546 61.744 62.300 -0.016 0.000 0.889 2138 V CB 1.718 33.529 31.823 -0.020 0.000 0.988 2138 V HN 0.378 nan 8.190 nan 0.000 0.440 2139 D N 1.743 122.130 120.400 -0.021 0.000 2.338 2139 D HA 0.084 4.715 4.640 -0.016 0.000 0.224 2139 D C 0.345 176.626 176.300 -0.031 0.000 0.967 2139 D CA 1.229 55.215 54.000 -0.023 0.000 0.896 2139 D CB 1.527 42.315 40.800 -0.020 0.000 1.028 2139 D HN 0.404 nan 8.370 nan 0.000 0.493 2140 V N 0.769 120.662 119.914 -0.035 0.000 2.709 2140 V HA 0.515 4.626 4.120 -0.016 0.000 0.308 2140 V C -1.530 174.527 176.094 -0.062 0.000 1.062 2140 V CA -0.716 61.555 62.300 -0.048 0.000 0.901 2140 V CB 2.172 33.972 31.823 -0.039 0.000 1.003 2140 V HN -0.093 nan 8.190 nan 0.000 0.425 2141 I N 6.482 126.988 120.570 -0.106 0.000 2.465 2141 I HA 0.643 4.803 4.170 -0.016 0.000 0.291 2141 I C -0.587 175.389 176.117 -0.234 0.000 1.014 2141 I CA -1.047 60.161 61.300 -0.152 0.000 1.093 2141 I CB 2.044 39.938 38.000 -0.176 0.000 1.267 2141 I HN 0.635 nan 8.210 nan 0.000 0.431 2142 V N 7.096 126.837 119.914 -0.288 0.000 2.540 2142 V HA 0.574 4.684 4.120 -0.016 0.000 0.302 2142 V C -0.844 174.884 176.094 -0.610 0.000 1.035 2142 V CA -0.363 61.682 62.300 -0.424 0.000 0.873 2142 V CB 2.017 33.640 31.823 -0.333 0.000 0.992 2142 V HN 0.441 nan 8.190 nan 0.000 0.428 2143 V N 5.971 125.561 119.914 -0.540 0.000 2.333 2143 V HA 0.392 4.502 4.120 -0.016 0.000 0.274 2143 V C -0.016 175.892 176.094 -0.310 0.000 1.028 2143 V CA -0.341 61.706 62.300 -0.421 0.000 0.851 2143 V CB 1.189 32.816 31.823 -0.326 0.000 1.000 2143 V HN 0.955 nan 8.190 nan 0.000 0.456 2144 D N 3.692 123.869 120.400 -0.372 0.000 2.393 2144 D HA 0.300 4.931 4.640 -0.016 0.000 0.232 2144 D C -0.006 176.261 176.300 -0.055 0.000 1.192 2144 D CA 0.636 54.526 54.000 -0.184 0.000 0.882 2144 D CB 0.773 41.523 40.800 -0.083 0.000 1.038 2144 D HN 0.632 nan 8.370 nan 0.000 0.499 2145 S N 1.276 116.964 115.700 -0.021 0.000 3.027 2145 S HA -0.162 4.298 4.470 -0.016 0.000 0.809 2145 S C 1.075 175.686 174.600 0.018 0.000 0.729 2145 S CA 0.295 58.482 58.200 -0.022 0.000 1.515 2145 S CB -0.846 62.307 63.200 -0.079 0.000 1.062 2145 S HN 0.492 nan 8.310 nan 0.000 0.682 2146 V N 2.903 122.836 119.914 0.032 0.000 2.626 2146 V HA 0.051 4.161 4.120 -0.016 0.000 0.252 2146 V C 2.237 178.320 176.094 -0.018 0.000 1.067 2146 V CA 2.395 64.699 62.300 0.006 0.000 1.081 2146 V CB -0.896 30.874 31.823 -0.088 0.000 0.686 2146 V HN 1.456 nan 8.190 nan 0.000 0.468 2147 A N 0.467 123.263 122.820 -0.040 0.000 2.024 2147 A HA 0.144 4.455 4.320 -0.016 0.000 0.220 2147 A C 2.330 179.967 177.584 0.088 0.000 1.164 2147 A CA 1.965 53.992 52.037 -0.018 0.000 0.643 2147 A CB -0.805 18.137 19.000 -0.096 0.000 0.806 2147 A HN 1.149 nan 8.150 nan 0.000 0.451 2148 A N -1.413 121.461 122.820 0.090 0.000 2.275 2148 A HA 0.439 4.750 4.320 -0.016 0.000 0.212 2148 A C 0.424 178.076 177.584 0.113 0.000 1.201 2148 A CA -0.105 52.037 52.037 0.175 0.000 0.843 2148 A CB -0.123 18.982 19.000 0.175 0.000 0.873 2148 A HN 0.268 nan 8.150 nan 0.000 0.492 2149 L N 2.469 123.728 121.223 0.061 0.000 2.448 2149 L HA 0.184 4.515 4.340 -0.016 0.000 0.278 2149 L C -0.045 176.835 176.870 0.017 0.000 1.201 2149 L CA 0.722 55.583 54.840 0.034 0.000 1.036 2149 L CB -0.653 41.416 42.059 0.018 0.000 1.325 2149 L HN 0.090 nan 8.230 nan 0.000 0.441 2150 T N 4.856 119.422 114.554 0.019 0.000 2.743 2150 T HA 0.341 4.682 4.350 -0.016 0.000 0.293 2150 T C -2.272 172.408 174.700 -0.033 0.000 0.945 2150 T CA -1.387 60.709 62.100 -0.006 0.000 1.030 2150 T CB 0.948 69.815 68.868 -0.002 0.000 0.912 2150 T HN 0.205 nan 8.240 nan 0.000 0.483 2151 P HA 0.050 nan 4.420 nan 0.000 0.267 2151 P C 1.045 178.288 177.300 -0.096 0.000 1.200 2151 P CA -0.332 62.722 63.100 -0.077 0.000 0.772 2151 P CB 0.712 32.352 31.700 -0.102 0.000 0.855 2152 K N 2.959 123.318 120.400 -0.069 0.000 2.074 2152 K HA -0.236 4.075 4.320 -0.016 0.000 0.209 2152 K C 1.717 178.264 176.600 -0.089 0.000 1.048 2152 K CA 2.017 58.272 56.287 -0.054 0.000 0.926 2152 K CB -0.601 31.886 32.500 -0.021 0.000 0.713 2152 K HN 0.483 nan 8.250 nan 0.000 0.444 2153 A N 1.086 123.827 122.820 -0.131 0.000 1.972 2153 A HA -0.213 4.098 4.320 -0.016 0.000 0.219 2153 A C 1.975 179.348 177.584 -0.351 0.000 1.169 2153 A CA 1.856 53.787 52.037 -0.176 0.000 0.635 2153 A CB -0.453 18.457 19.000 -0.151 0.000 0.810 2153 A HN 0.597 nan 8.150 nan 0.000 0.446 2154 E N -0.324 119.572 120.200 -0.507 0.000 2.046 2154 E HA -0.122 4.218 4.350 -0.016 0.000 0.190 2154 E C 1.814 178.321 176.600 -0.156 0.000 0.982 2154 E CA 1.037 57.107 56.400 -0.550 0.000 0.800 2154 E CB -0.225 29.244 29.700 -0.385 0.000 0.756 2154 E HN 0.600 nan 8.360 nan 0.000 0.449 2155 I N 1.107 121.614 120.570 -0.105 0.000 2.264 2155 I HA -0.278 3.883 4.170 -0.016 0.000 0.248 2155 I C 2.087 178.193 176.117 -0.019 0.000 1.111 2155 I CA 1.499 62.774 61.300 -0.042 0.000 1.382 2155 I CB -0.078 37.904 38.000 -0.031 0.000 1.060 2155 I HN 0.197 nan 8.210 nan 0.000 0.418 2156 E N 0.164 120.348 120.200 -0.025 0.000 2.230 2156 E HA 0.022 4.362 4.350 -0.016 0.000 0.192 2156 E C 1.348 177.963 176.600 0.025 0.000 0.987 2156 E CA 0.366 56.766 56.400 0.000 0.000 0.841 2156 E CB -0.108 29.590 29.700 -0.002 0.000 0.783 2156 E HN 0.506 nan 8.360 nan 0.000 0.481 2157 G N 1.009 109.834 108.800 0.043 0.000 2.653 2157 G HA2 0.033 3.984 3.960 -0.016 0.000 0.265 2157 G HA3 0.033 3.984 3.960 -0.016 0.000 0.265 2157 G C -0.170 174.794 174.900 0.106 0.000 1.237 2157 G CA -0.499 44.672 45.100 0.118 0.000 0.946 2157 G HN 0.001 nan 8.290 nan 0.000 0.522 2158 E N -1.259 119.004 120.200 0.106 0.000 2.312 2158 E HA 0.230 4.570 4.350 -0.016 0.000 0.259 2158 E C -0.001 176.652 176.600 0.089 0.000 1.122 2158 E CA -0.414 56.038 56.400 0.086 0.000 0.922 2158 E CB 1.555 31.300 29.700 0.075 0.000 1.109 2158 E HN 0.233 nan 8.360 nan 0.000 0.442 2159 I N 1.272 121.886 120.570 0.073 0.000 2.517 2159 I HA 0.066 4.226 4.170 -0.016 0.000 0.285 2159 I C 1.177 177.316 176.117 0.037 0.000 1.106 2159 I CA 0.912 62.243 61.300 0.051 0.000 1.402 2159 I CB 0.350 38.372 38.000 0.036 0.000 1.399 2159 I HN 0.890 nan 8.210 nan 0.000 0.535 2160 G N 4.081 112.890 108.800 0.015 0.000 2.195 2160 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.224 2160 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.224 2160 G C -0.059 174.814 174.900 -0.045 0.000 0.990 2160 G CA -0.605 44.489 45.100 -0.010 0.000 0.639 2160 G HN 0.557 nan 8.290 nan 0.000 0.514 2161 D N 1.686 122.050 120.400 -0.059 0.000 2.389 2161 D HA 0.475 5.105 4.640 -0.016 0.000 0.247 2161 D C 0.860 176.934 176.300 -0.376 0.000 1.128 2161 D CA 0.843 54.731 54.000 -0.187 0.000 0.884 2161 D CB 1.326 42.034 40.800 -0.153 0.000 1.194 2161 D HN 0.484 nan 8.370 nan 0.000 0.441 2162 S N 2.209 117.681 115.700 -0.381 0.000 2.475 2162 S HA 0.286 4.746 4.470 -0.016 0.000 0.281 2162 S C -0.072 174.239 174.600 -0.482 0.000 1.198 2162 S CA -0.778 57.230 58.200 -0.320 0.000 1.063 2162 S CB 0.843 63.954 63.200 -0.148 0.000 0.972 2162 S HN 0.383 nan 8.310 nan 0.000 0.486 2163 H N 2.664 121.731 119.070 -0.005 0.000 2.429 2163 H HA 0.244 4.791 4.556 -0.016 0.000 0.237 2163 H C -0.280 175.042 175.328 -0.010 0.000 1.378 2163 H CA -0.692 55.352 56.048 -0.007 0.000 1.170 2163 H CB 0.103 29.861 29.762 -0.007 0.000 1.671 2163 H HN 0.471 nan 8.280 nan 0.000 0.541 2164 M N 0.959 120.584 119.600 0.041 0.000 2.501 2164 M HA 0.006 4.477 4.480 -0.016 0.000 0.363 2164 M C 1.274 177.590 176.300 0.026 0.000 1.708 2164 M CA 0.733 56.046 55.300 0.022 0.000 1.078 2164 M CB -0.707 31.892 32.600 -0.002 0.000 2.107 2164 M HN 0.854 nan 8.290 nan 0.000 0.466 2165 G N 3.919 112.731 108.800 0.021 0.000 2.258 2165 G HA2 -0.274 3.676 3.960 -0.016 0.000 0.274 2165 G HA3 -0.274 3.676 3.960 -0.016 0.000 0.274 2165 G C 0.694 175.601 174.900 0.013 0.000 1.021 2165 G CA 0.489 45.595 45.100 0.010 0.000 0.798 2165 G HN 0.682 nan 8.290 nan 0.000 0.507 2166 L N -0.047 121.194 121.223 0.030 0.000 2.109 2166 L HA 0.400 4.730 4.340 -0.016 0.000 0.207 2166 L C 2.959 179.824 176.870 -0.008 0.000 1.086 2166 L CA 2.867 57.718 54.840 0.018 0.000 0.760 2166 L CB -0.492 41.587 42.059 0.033 0.000 0.910 2166 L HN 0.469 nan 8.230 nan 0.000 0.437 2167 A N -0.760 122.054 122.820 -0.010 0.000 1.930 2167 A HA -0.085 4.226 4.320 -0.016 0.000 0.217 2167 A C 2.421 179.984 177.584 -0.036 0.000 1.175 2167 A CA 1.531 53.552 52.037 -0.026 0.000 0.627 2167 A CB -0.956 18.029 19.000 -0.023 0.000 0.815 2167 A HN 0.487 nan 8.150 nan 0.000 0.443 2168 A N 0.827 123.631 122.820 -0.027 0.000 1.877 2168 A HA -0.185 4.126 4.320 -0.016 0.000 0.216 2168 A C 2.257 179.824 177.584 -0.027 0.000 1.186 2168 A CA 1.841 53.860 52.037 -0.029 0.000 0.620 2168 A CB -0.544 18.446 19.000 -0.016 0.000 0.822 2168 A HN 0.697 nan 8.150 nan 0.000 0.443 2169 R N -0.625 119.864 120.500 -0.019 0.000 2.148 2169 R HA -0.007 4.324 4.340 -0.016 0.000 0.227 2169 R C 2.096 178.381 176.300 -0.025 0.000 1.103 2169 R CA 1.604 57.694 56.100 -0.017 0.000 0.983 2169 R CB -0.488 29.806 30.300 -0.010 0.000 0.874 2169 R HN 0.541 nan 8.270 nan 0.000 0.451 2170 M N 0.294 119.875 119.600 -0.031 0.000 2.099 2170 M HA -0.112 4.358 4.480 -0.016 0.000 0.262 2170 M C 1.884 178.151 176.300 -0.056 0.000 1.067 2170 M CA 1.555 56.833 55.300 -0.036 0.000 1.124 2170 M CB 0.034 32.612 32.600 -0.036 0.000 1.353 2170 M HN 0.226 nan 8.290 nan 0.000 0.410 2171 M N -0.527 119.026 119.600 -0.078 0.000 2.117 2171 M HA -0.174 4.297 4.480 -0.016 0.000 0.262 2171 M C 2.435 178.656 176.300 -0.131 0.000 1.065 2171 M CA 1.534 56.756 55.300 -0.129 0.000 1.114 2171 M CB -1.383 31.124 32.600 -0.155 0.000 1.361 2171 M HN 0.385 nan 8.290 nan 0.000 0.408 2172 S N -0.146 115.506 115.700 -0.081 0.000 2.368 2172 S HA -0.202 4.259 4.470 -0.016 0.000 0.225 2172 S C 1.896 176.445 174.600 -0.084 0.000 1.030 2172 S CA 1.472 59.635 58.200 -0.062 0.000 0.999 2172 S CB -0.134 63.058 63.200 -0.013 0.000 0.844 2172 S HN 0.535 nan 8.310 nan 0.000 0.459 2173 Q N 0.055 119.822 119.800 -0.056 0.000 2.079 2173 Q HA -0.062 4.268 4.340 -0.016 0.000 0.200 2173 Q C 2.206 178.165 176.000 -0.068 0.000 0.974 2173 Q CA 1.320 57.101 55.803 -0.037 0.000 0.840 2173 Q CB -0.385 28.354 28.738 0.001 0.000 0.898 2173 Q HN 0.629 nan 8.270 nan 0.000 0.430 2174 A N 0.845 123.614 122.820 -0.084 0.000 1.883 2174 A HA -0.216 4.094 4.320 -0.016 0.000 0.217 2174 A C 2.054 179.545 177.584 -0.155 0.000 1.186 2174 A CA 1.701 53.690 52.037 -0.081 0.000 0.624 2174 A CB -0.513 18.456 19.000 -0.053 0.000 0.822 2174 A HN 0.397 nan 8.150 nan 0.000 0.444 2175 M N -1.047 118.367 119.600 -0.311 0.000 2.080 2175 M HA -0.138 4.332 4.480 -0.016 0.000 0.260 2175 M C 2.168 178.115 176.300 -0.589 0.000 1.068 2175 M CA 1.788 56.709 55.300 -0.631 0.000 1.109 2175 M CB -1.372 30.452 32.600 -1.293 0.000 1.342 2175 M HN 0.450 nan 8.290 nan 0.000 0.405 2176 R N 0.513 120.769 120.500 -0.407 0.000 2.134 2176 R HA -0.203 4.128 4.340 -0.016 0.000 0.248 2176 R C 2.192 178.456 176.300 -0.060 0.000 1.143 2176 R CA 2.082 58.116 56.100 -0.110 0.000 0.957 2176 R CB -0.043 30.234 30.300 -0.038 0.000 0.867 2176 R HN 0.405 nan 8.270 nan 0.000 0.441 2177 K N -0.501 119.854 120.400 -0.075 0.000 2.098 2177 K HA 0.008 4.318 4.320 -0.016 0.000 0.203 2177 K C 2.077 178.645 176.600 -0.052 0.000 1.051 2177 K CA 0.835 57.096 56.287 -0.043 0.000 0.957 2177 K CB 0.031 32.518 32.500 -0.022 0.000 0.738 2177 K HN 0.133 nan 8.250 nan 0.000 0.447 2178 L N 0.836 122.020 121.223 -0.065 0.000 2.056 2178 L HA -0.124 4.206 4.340 -0.016 0.000 0.207 2178 L C 2.601 179.435 176.870 -0.061 0.000 1.078 2178 L CA 0.953 55.765 54.840 -0.047 0.000 0.749 2178 L CB -0.575 41.477 42.059 -0.013 0.000 0.901 2178 L HN 0.197 nan 8.230 nan 0.000 0.433 2179 A N 0.496 123.283 122.820 -0.055 0.000 1.892 2179 A HA -0.211 4.099 4.320 -0.016 0.000 0.218 2179 A C 2.382 179.823 177.584 -0.238 0.000 1.188 2179 A CA 2.099 54.124 52.037 -0.021 0.000 0.631 2179 A CB -1.397 17.707 19.000 0.172 0.000 0.822 2179 A HN 0.457 nan 8.150 nan 0.000 0.447 2180 G N -0.589 108.000 108.800 -0.353 0.000 2.421 2180 G HA2 -0.273 3.677 3.960 -0.016 0.000 0.216 2180 G HA3 -0.273 3.677 3.960 -0.016 0.000 0.216 2180 G C 1.450 176.158 174.900 -0.320 0.000 1.171 2180 G CA 1.090 45.805 45.100 -0.641 0.000 0.775 2180 G HN 0.715 nan 8.290 nan 0.000 0.543 2181 N N 0.009 118.615 118.700 -0.156 0.000 2.166 2181 N HA -0.015 4.715 4.740 -0.016 0.000 0.186 2181 N C 2.219 177.688 175.510 -0.068 0.000 1.019 2181 N CA 0.573 53.574 53.050 -0.081 0.000 0.856 2181 N CB -0.154 38.304 38.487 -0.048 0.000 0.993 2181 N HN 0.236 nan 8.380 nan 0.000 0.426 2182 L N 0.788 121.966 121.223 -0.074 0.000 2.056 2182 L HA -0.153 4.178 4.340 -0.016 0.000 0.207 2182 L C 2.431 179.282 176.870 -0.031 0.000 1.078 2182 L CA 0.983 55.796 54.840 -0.045 0.000 0.749 2182 L CB -0.285 41.756 42.059 -0.030 0.000 0.901 2182 L HN 0.107 nan 8.230 nan 0.000 0.433 2183 K N 0.649 121.018 120.400 -0.051 0.000 2.026 2183 K HA -0.199 4.112 4.320 -0.016 0.000 0.208 2183 K C 2.037 178.656 176.600 0.032 0.000 1.048 2183 K CA 1.611 57.908 56.287 0.017 0.000 0.929 2183 K CB -0.206 32.352 32.500 0.097 0.000 0.713 2183 K HN 0.208 nan 8.250 nan 0.000 0.439 2184 Q N -0.480 119.326 119.800 0.010 0.000 2.488 2184 Q HA 0.054 4.384 4.340 -0.016 0.000 0.211 2184 Q C 0.758 176.768 176.000 0.016 0.000 0.967 2184 Q CA 1.172 56.993 55.803 0.030 0.000 0.926 2184 Q CB 0.343 29.102 28.738 0.034 0.000 0.992 2184 Q HN 0.269 nan 8.270 nan 0.000 0.506 2185 S N -0.133 115.569 115.700 0.003 0.000 2.559 2185 S HA 0.072 4.532 4.470 -0.016 0.000 0.226 2185 S C 0.224 174.825 174.600 0.001 0.000 1.000 2185 S CA -0.220 57.981 58.200 0.001 0.000 0.948 2185 S CB 0.366 63.561 63.200 -0.008 0.000 0.870 2185 S HN 0.395 nan 8.310 nan 0.000 0.497 2186 N N 2.206 120.909 118.700 0.006 0.000 2.740 2186 N HA -0.139 4.591 4.740 -0.016 0.000 0.248 2186 N C -1.201 174.306 175.510 -0.005 0.000 1.062 2186 N CA 0.853 53.907 53.050 0.005 0.000 0.704 2186 N CB -1.618 36.874 38.487 0.007 0.000 0.968 2186 N HN 0.340 nan 8.380 nan 0.000 0.547 2187 T N 0.785 115.332 114.554 -0.012 0.000 2.767 2187 T HA 0.446 4.787 4.350 -0.016 0.000 0.288 2187 T C 0.227 174.910 174.700 -0.029 0.000 0.963 2187 T CA -0.679 61.406 62.100 -0.025 0.000 1.019 2187 T CB 1.555 70.403 68.868 -0.033 0.000 0.923 2187 T HN 0.276 nan 8.240 nan 0.000 0.468 2188 L N 4.645 125.846 121.223 -0.036 0.000 2.290 2188 L HA 0.531 4.861 4.340 -0.016 0.000 0.284 2188 L C -0.824 175.998 176.870 -0.080 0.000 1.078 2188 L CA -0.297 54.518 54.840 -0.042 0.000 0.815 2188 L CB 0.305 42.343 42.059 -0.036 0.000 1.162 2188 L HN 0.612 nan 8.230 nan 0.000 0.435 2189 L N 6.995 128.161 121.223 -0.096 0.000 2.319 2189 L HA 0.526 4.857 4.340 -0.016 0.000 0.281 2189 L C -0.951 175.788 176.870 -0.220 0.000 1.005 2189 L CA -0.480 54.238 54.840 -0.203 0.000 0.828 2189 L CB 1.210 43.131 42.059 -0.231 0.000 1.227 2189 L HN 0.668 nan 8.230 nan 0.000 0.415 2190 I N 4.535 124.943 120.570 -0.269 0.000 2.321 2190 I HA 0.276 4.436 4.170 -0.016 0.000 0.291 2190 I C -0.822 175.109 176.117 -0.310 0.000 0.998 2190 I CA -0.329 60.860 61.300 -0.184 0.000 1.227 2190 I CB 1.327 39.266 38.000 -0.102 0.000 1.368 2190 I HN 0.388 nan 8.210 nan 0.000 0.466 2191 F N 6.545 126.468 119.950 -0.044 0.000 2.404 2191 F HA 0.473 4.990 4.527 -0.016 0.000 0.354 2191 F C 0.408 176.191 175.800 -0.028 0.000 1.122 2191 F CA -0.426 57.543 58.000 -0.052 0.000 1.080 2191 F CB 1.005 39.986 39.000 -0.032 0.000 1.131 2191 F HN 0.215 nan 8.300 nan 0.000 0.471 2192 I N 3.448 124.094 120.570 0.127 0.000 2.428 2192 I HA 0.206 4.367 4.170 -0.016 0.000 0.289 2192 I C -0.131 176.041 176.117 0.092 0.000 1.019 2192 I CA -0.103 61.254 61.300 0.096 0.000 1.351 2192 I CB 1.129 39.157 38.000 0.046 0.000 1.412 2192 I HN 0.644 nan 8.210 nan 0.000 0.513 2193 N N 3.844 122.597 118.700 0.088 0.000 2.312 2193 N HA 0.396 5.126 4.740 -0.016 0.000 0.296 2193 N C -1.283 174.195 175.510 -0.054 0.000 1.193 2193 N CA -0.689 52.367 53.050 0.011 0.000 0.773 2193 N CB 1.794 40.291 38.487 0.016 0.000 1.435 2193 N HN 0.540 nan 8.380 nan 0.000 0.484 2194 Q N 0.728 120.380 119.800 -0.246 0.000 2.194 2194 Q HA 0.523 4.854 4.340 -0.016 0.000 0.245 2194 Q C -0.714 175.093 176.000 -0.321 0.000 0.993 2194 Q CA -0.698 54.769 55.803 -0.559 0.000 0.930 2194 Q CB 2.071 30.118 28.738 -1.151 0.000 1.238 2194 Q HN 0.467 nan 8.270 nan 0.000 0.486 2195 I N 1.162 121.583 120.570 -0.248 0.000 2.412 2195 I HA 0.404 4.564 4.170 -0.016 0.000 0.296 2195 I C -0.241 175.879 176.117 0.004 0.000 0.987 2195 I CA -0.720 60.572 61.300 -0.012 0.000 1.180 2195 I CB 1.000 39.113 38.000 0.189 0.000 1.340 2195 I HN 0.338 nan 8.210 nan 0.000 0.455 2196 R N 4.724 125.214 120.500 -0.016 0.000 2.854 2196 R HA 0.591 4.922 4.340 -0.016 0.000 0.271 2196 R C -1.011 175.293 176.300 0.007 0.000 0.994 2196 R CA -1.309 54.796 56.100 0.009 0.000 0.945 2196 R CB 1.729 32.016 30.300 -0.021 0.000 1.194 2196 R HN 0.373 nan 8.270 nan 0.000 0.476 2197 M N 2.069 121.676 119.600 0.012 0.000 2.249 2197 M HA 0.228 4.699 4.480 -0.016 0.000 0.351 2197 M C 0.067 176.356 176.300 -0.019 0.000 1.180 2197 M CA -0.404 54.894 55.300 -0.003 0.000 1.127 2197 M CB 0.695 33.294 32.600 -0.002 0.000 1.546 2197 M HN 0.245 nan 8.290 nan 0.000 0.461 2198 K N 4.077 124.459 120.400 -0.029 0.000 2.253 2198 K HA 0.484 4.795 4.320 -0.016 0.000 0.277 2198 K C -0.798 175.774 176.600 -0.046 0.000 1.053 2198 K CA -0.332 55.936 56.287 -0.031 0.000 0.892 2198 K CB 0.474 32.960 32.500 -0.023 0.000 1.102 2198 K HN 0.605 nan 8.250 nan 0.000 0.469 2199 I N 1.899 122.447 120.570 -0.036 0.000 2.696 2199 I HA 0.040 4.201 4.170 -0.016 0.000 0.284 2199 I C 1.246 177.331 176.117 -0.054 0.000 1.129 2199 I CA 0.896 62.170 61.300 -0.043 0.000 1.410 2199 I CB 0.541 38.525 38.000 -0.026 0.000 1.399 2199 I HN 1.040 nan 8.210 nan 0.000 0.579 2200 G N 4.052 112.807 108.800 -0.075 0.000 2.160 2200 G HA2 -0.202 3.749 3.960 -0.016 0.000 0.251 2200 G HA3 -0.202 3.749 3.960 -0.016 0.000 0.251 2200 G C -0.151 174.638 174.900 -0.185 0.000 1.008 2200 G CA -0.154 44.897 45.100 -0.081 0.000 0.724 2200 G HN 0.441 nan 8.290 nan 0.000 0.514 2201 V N 0.657 120.374 119.914 -0.329 0.000 2.304 2201 V HA 0.551 4.661 4.120 -0.016 0.000 0.278 2201 V C 0.420 176.024 176.094 -0.816 0.000 1.018 2201 V CA -0.309 61.537 62.300 -0.758 0.000 0.814 2201 V CB 1.317 32.916 31.823 -0.373 0.000 1.021 2201 V HN 0.319 nan 8.190 nan 0.000 0.440 2202 M N 6.503 125.409 119.600 -1.156 0.000 2.972 2202 M HA 0.470 4.940 4.480 -0.016 0.000 0.323 2202 M C -0.847 175.211 176.300 -0.403 0.000 1.213 2202 M CA 0.258 55.223 55.300 -0.558 0.000 0.935 2202 M CB -0.228 32.223 32.600 -0.248 0.000 1.289 2202 M HN 0.506 nan 8.290 nan 0.000 0.525 2203 F N -2.174 117.776 119.950 0.000 0.000 2.787 2203 F HA 0.807 5.325 4.527 -0.016 0.000 0.340 2203 F C 0.555 176.353 175.800 -0.004 0.000 1.232 2203 F CA -1.211 56.787 58.000 -0.002 0.000 1.051 2203 F CB 0.078 39.076 39.000 -0.003 0.000 1.330 2203 F HN 0.321 nan 8.300 nan 0.000 0.522 2204 G N 2.886 111.766 108.800 0.133 0.000 2.536 2204 G HA2 -0.310 3.641 3.960 -0.016 0.000 0.280 2204 G HA3 -0.310 3.641 3.960 -0.016 0.000 0.280 2204 G C -0.755 174.162 174.900 0.029 0.000 1.152 2204 G CA 0.117 45.265 45.100 0.079 0.000 0.970 2204 G HN 1.031 nan 8.290 nan 0.000 0.549 2205 N N 2.325 121.045 118.700 0.035 0.000 2.444 2205 N HA 0.518 5.249 4.740 -0.016 0.000 0.262 2205 N C -1.404 174.101 175.510 -0.008 0.000 0.974 2205 N CA -1.395 51.663 53.050 0.013 0.000 0.933 2205 N CB 1.849 40.353 38.487 0.028 0.000 1.137 2205 N HN 0.311 nan 8.380 nan 0.000 0.498 2206 P HA 0.058 nan 4.420 nan 0.000 0.249 2206 P C -0.574 176.711 177.300 -0.025 0.000 1.229 2206 P CA 0.496 63.566 63.100 -0.050 0.000 0.788 2206 P CB 0.395 32.055 31.700 -0.066 0.000 1.072 2207 E N 0.311 120.507 120.200 -0.007 0.000 2.331 2207 E HA 0.312 4.653 4.350 -0.016 0.000 0.272 2207 E C 0.034 176.608 176.600 -0.044 0.000 1.036 2207 E CA 0.188 56.584 56.400 -0.006 0.000 0.864 2207 E CB 0.830 30.548 29.700 0.029 0.000 1.035 2207 E HN 0.111 nan 8.360 nan 0.000 0.408 2208 T N 0.233 114.745 114.554 -0.071 0.000 2.654 2208 T HA 0.455 4.796 4.350 -0.016 0.000 0.289 2208 T C -0.363 174.228 174.700 -0.181 0.000 1.062 2208 T CA -0.751 61.273 62.100 -0.126 0.000 1.041 2208 T CB 1.768 70.583 68.868 -0.089 0.000 1.417 2208 T HN 0.301 nan 8.240 nan 0.000 0.510 2209 T N 0.933 115.362 114.554 -0.208 0.000 2.906 2209 T HA 0.627 4.968 4.350 -0.016 0.000 0.295 2209 T C -0.555 174.052 174.700 -0.156 0.000 1.075 2209 T CA -0.401 61.557 62.100 -0.238 0.000 1.005 2209 T CB 1.643 70.292 68.868 -0.365 0.000 1.136 2209 T HN 0.662 nan 8.240 nan 0.000 0.498 2210 T N 1.066 115.534 114.554 -0.143 0.000 2.882 2210 T HA 0.514 4.854 4.350 -0.016 0.000 0.287 2210 T C 1.232 175.869 174.700 -0.104 0.000 1.014 2210 T CA 0.688 62.723 62.100 -0.108 0.000 1.049 2210 T CB 0.828 69.635 68.868 -0.102 0.000 1.001 2210 T HN 1.089 nan 8.240 nan 0.000 0.525 2211 G N 0.299 109.051 108.800 -0.081 0.000 2.141 2211 G HA2 0.210 4.161 3.960 -0.016 0.000 0.242 2211 G HA3 0.210 4.161 3.960 -0.016 0.000 0.242 2211 G C 0.669 175.523 174.900 -0.076 0.000 0.982 2211 G CA 0.106 45.155 45.100 -0.085 0.000 0.662 2211 G HN 1.720 nan 8.290 nan 0.000 0.527 2212 G N -0.499 108.266 108.800 -0.057 0.000 2.587 2212 G HA2 -0.068 3.882 3.960 -0.016 0.000 0.212 2212 G HA3 -0.068 3.882 3.960 -0.016 0.000 0.212 2212 G C 0.386 175.281 174.900 -0.009 0.000 1.327 2212 G CA 0.508 45.592 45.100 -0.027 0.000 0.898 2212 G HN 0.872 nan 8.290 nan 0.000 0.551 2213 N N 0.263 118.994 118.700 0.050 0.000 2.368 2213 N HA 0.229 4.960 4.740 -0.016 0.000 0.178 2213 N C 2.476 178.139 175.510 0.255 0.000 1.076 2213 N CA 1.418 54.547 53.050 0.131 0.000 0.889 2213 N CB -0.093 38.517 38.487 0.204 0.000 1.040 2213 N HN 0.915 nan 8.380 nan 0.000 0.463 2214 A N 1.556 124.499 122.820 0.205 0.000 1.873 2214 A HA -0.158 4.152 4.320 -0.016 0.000 0.218 2214 A C 2.156 179.943 177.584 0.340 0.000 1.193 2214 A CA 1.220 53.438 52.037 0.301 0.000 0.629 2214 A CB -0.807 18.265 19.000 0.119 0.000 0.826 2214 A HN 0.219 nan 8.150 nan 0.000 0.447 2215 L N -0.116 121.167 121.223 0.101 0.000 2.079 2215 L HA -0.171 4.159 4.340 -0.016 0.000 0.210 2215 L C 2.216 179.145 176.870 0.098 0.000 1.081 2215 L CA 2.257 57.122 54.840 0.041 0.000 0.752 2215 L CB -0.618 41.346 42.059 -0.158 0.000 0.896 2215 L HN 0.387 nan 8.230 nan 0.000 0.433 2216 K N -1.128 119.291 120.400 0.032 0.000 2.059 2216 K HA -0.242 4.069 4.320 -0.016 0.000 0.212 2216 K C 2.041 178.578 176.600 -0.105 0.000 1.050 2216 K CA 2.240 58.471 56.287 -0.093 0.000 0.927 2216 K CB -0.475 31.864 32.500 -0.269 0.000 0.714 2216 K HN 0.286 nan 8.250 nan 0.000 0.447 2217 F N -0.813 119.170 119.950 0.054 0.000 2.163 2217 F HA -0.134 4.384 4.527 -0.016 0.000 0.297 2217 F C 2.037 177.801 175.800 -0.061 0.000 1.094 2217 F CA 1.107 59.093 58.000 -0.024 0.000 1.290 2217 F CB -0.313 38.634 39.000 -0.088 0.000 1.017 2217 F HN 0.025 nan 8.300 nan 0.000 0.483 2218 Y N -0.026 120.399 120.300 0.207 0.000 2.475 2218 Y HA 0.253 4.793 4.550 -0.016 0.000 0.289 2218 Y C 1.551 177.512 175.900 0.103 0.000 1.121 2218 Y CA -0.107 58.077 58.100 0.141 0.000 1.257 2218 Y CB -0.633 37.894 38.460 0.112 0.000 1.026 2218 Y HN -0.121 nan 8.280 nan 0.000 0.555 2219 A N -0.143 122.803 122.820 0.209 0.000 2.488 2219 A HA 0.149 4.459 4.320 -0.016 0.000 0.249 2219 A C 1.278 178.908 177.584 0.077 0.000 1.083 2219 A CA 0.337 52.457 52.037 0.139 0.000 0.768 2219 A CB 0.207 19.271 19.000 0.108 0.000 1.017 2219 A HN 0.316 nan 8.150 nan 0.000 0.496 2220 S N 0.646 116.384 115.700 0.064 0.000 2.446 2220 S HA 0.144 4.605 4.470 -0.016 0.000 0.225 2220 S C 0.426 175.011 174.600 -0.025 0.000 1.016 2220 S CA 0.614 58.823 58.200 0.015 0.000 0.943 2220 S CB 0.030 63.242 63.200 0.020 0.000 0.786 2220 S HN 0.571 nan 8.310 nan 0.000 0.508 2221 V N 2.131 122.041 119.914 -0.007 0.000 2.760 2221 V HA 0.484 4.595 4.120 -0.016 0.000 0.309 2221 V C -0.783 175.312 176.094 0.001 0.000 1.077 2221 V CA -0.886 61.396 62.300 -0.031 0.000 0.910 2221 V CB 2.128 33.934 31.823 -0.029 0.000 1.008 2221 V HN 0.122 nan 8.190 nan 0.000 0.424 2222 R N 3.866 124.357 120.500 -0.015 0.000 2.561 2222 R HA 0.704 5.034 4.340 -0.016 0.000 0.297 2222 R C -1.910 174.376 176.300 -0.024 0.000 0.969 2222 R CA -0.910 55.212 56.100 0.037 0.000 0.879 2222 R CB 2.346 32.710 30.300 0.107 0.000 1.178 2222 R HN 0.350 nan 8.270 nan 0.000 0.445 2223 L N 2.248 123.430 121.223 -0.069 0.000 2.356 2223 L HA 0.294 4.624 4.340 -0.016 0.000 0.277 2223 L C -0.406 176.198 176.870 -0.444 0.000 0.996 2223 L CA -0.561 54.183 54.840 -0.160 0.000 0.822 2223 L CB 1.569 43.583 42.059 -0.074 0.000 1.256 2223 L HN 0.493 nan 8.230 nan 0.000 0.413 2224 D N 4.324 124.445 120.400 -0.464 0.000 2.412 2224 D HA 0.274 4.904 4.640 -0.016 0.000 0.224 2224 D C -0.710 175.430 176.300 -0.266 0.000 1.093 2224 D CA -0.178 53.442 54.000 -0.634 0.000 0.850 2224 D CB 0.935 41.481 40.800 -0.424 0.000 1.046 2224 D HN 0.459 nan 8.370 nan 0.000 0.507 2225 I N 3.405 123.855 120.570 -0.199 0.000 2.412 2225 I HA 0.493 4.653 4.170 -0.016 0.000 0.296 2225 I C -0.709 175.388 176.117 -0.033 0.000 0.987 2225 I CA -0.673 60.584 61.300 -0.071 0.000 1.180 2225 I CB 0.697 38.699 38.000 0.002 0.000 1.340 2225 I HN 0.260 nan 8.210 nan 0.000 0.455 2226 R N 5.569 126.043 120.500 -0.042 0.000 2.584 2226 R HA 0.377 4.707 4.340 -0.016 0.000 0.276 2226 R C -1.126 175.154 176.300 -0.035 0.000 1.046 2226 R CA -0.908 55.181 56.100 -0.019 0.000 0.906 2226 R CB 2.063 32.353 30.300 -0.016 0.000 1.215 2226 R HN 0.566 nan 8.270 nan 0.000 0.449 2227 R N 4.078 124.579 120.500 0.003 0.000 2.267 2227 R HA 0.193 4.524 4.340 -0.016 0.000 0.319 2227 R C 0.699 176.994 176.300 -0.009 0.000 1.067 2227 R CA 0.045 56.149 56.100 0.007 0.000 0.936 2227 R CB 0.412 30.751 30.300 0.065 0.000 1.006 2227 R HN 0.762 nan 8.270 nan 0.000 0.452 2228 I N 0.705 121.254 120.570 -0.036 0.000 4.082 2228 I HA 0.498 4.658 4.170 -0.016 0.000 0.337 2228 I C 0.395 176.490 176.117 -0.035 0.000 1.352 2228 I CA -0.209 61.068 61.300 -0.038 0.000 1.097 2228 I CB 0.943 38.909 38.000 -0.057 0.000 1.048 2228 I HN 0.672 nan 8.210 nan 0.000 0.393 2229 G N 1.053 109.832 108.800 -0.034 0.000 2.320 2229 G HA2 0.603 4.553 3.960 -0.016 0.000 0.296 2229 G HA3 0.603 4.553 3.960 -0.016 0.000 0.296 2229 G C -1.975 172.894 174.900 -0.051 0.000 1.306 2229 G CA -0.234 44.839 45.100 -0.045 0.000 0.836 2229 G HN 0.328 nan 8.290 nan 0.000 0.517 2230 A N -0.760 122.015 122.820 -0.075 0.000 2.324 2230 A HA 0.785 5.095 4.320 -0.016 0.000 0.330 2230 A C -0.312 177.231 177.584 -0.068 0.000 1.165 2230 A CA -0.551 51.433 52.037 -0.088 0.000 0.813 2230 A CB 1.617 20.524 19.000 -0.154 0.000 1.197 2230 A HN 1.477 nan 8.150 nan 0.000 0.484 2231 V N 2.999 122.870 119.914 -0.073 0.000 2.383 2231 V HA 0.347 4.457 4.120 -0.016 0.000 0.275 2231 V C 0.075 176.137 176.094 -0.054 0.000 1.036 2231 V CA -0.293 61.965 62.300 -0.070 0.000 0.889 2231 V CB 0.916 32.681 31.823 -0.098 0.000 0.985 2231 V HN 0.839 nan 8.190 nan 0.000 0.459 2232 K N 3.433 123.812 120.400 -0.035 0.000 2.345 2232 K HA 0.457 4.768 4.320 -0.016 0.000 0.255 2232 K C -0.654 175.941 176.600 -0.008 0.000 0.934 2232 K CA -0.722 55.554 56.287 -0.017 0.000 0.801 2232 K CB 2.409 34.897 32.500 -0.020 0.000 1.137 2232 K HN 0.514 nan 8.250 nan 0.000 0.424 2233 E N 2.274 122.477 120.200 0.005 0.000 2.069 2233 E HA 0.113 4.453 4.350 -0.016 0.000 0.254 2233 E C 0.803 177.410 176.600 0.010 0.000 1.088 2233 E CA -0.028 56.377 56.400 0.008 0.000 1.017 2233 E CB 0.696 30.407 29.700 0.018 0.000 1.226 2233 E HN 0.986 nan 8.360 nan 0.000 0.458 2234 G N 3.666 112.468 108.800 0.004 0.000 3.581 2234 G HA2 -0.448 3.503 3.960 -0.016 0.000 0.336 2234 G HA3 -0.448 3.503 3.960 -0.016 0.000 0.336 2234 G C 1.121 176.025 174.900 0.007 0.000 1.259 2234 G CA 0.681 45.784 45.100 0.004 0.000 1.001 2234 G HN 0.486 nan 8.290 nan 0.000 0.662 2235 E N 1.952 122.161 120.200 0.014 0.000 2.028 2235 E HA -0.024 4.317 4.350 -0.016 0.000 0.190 2235 E C 1.100 177.718 176.600 0.030 0.000 0.984 2235 E CA 1.068 57.480 56.400 0.019 0.000 0.800 2235 E CB -0.387 29.328 29.700 0.024 0.000 0.758 2235 E HN 0.760 nan 8.360 nan 0.000 0.448 2236 N N 1.301 120.026 118.700 0.042 0.000 2.514 2236 N HA 0.166 4.897 4.740 -0.016 0.000 0.277 2236 N C -0.742 174.813 175.510 0.074 0.000 1.126 2236 N CA -0.244 52.847 53.050 0.069 0.000 0.978 2236 N CB 1.656 40.190 38.487 0.078 0.000 1.106 2236 N HN -0.192 nan 8.380 nan 0.000 0.461 2237 V N 2.414 122.400 119.914 0.120 0.000 2.405 2237 V HA 0.028 4.138 4.120 -0.016 0.000 0.264 2237 V C 0.739 176.975 176.094 0.238 0.000 1.048 2237 V CA -0.103 62.283 62.300 0.144 0.000 0.966 2237 V CB 1.015 32.932 31.823 0.157 0.000 1.015 2237 V HN 0.627 nan 8.190 nan 0.000 0.477 2238 V N 4.338 124.300 119.914 0.080 0.000 3.605 2238 V HA 0.629 4.739 4.120 -0.016 0.000 0.284 2238 V C 0.824 176.676 176.094 -0.403 0.000 1.386 2238 V CA 1.178 63.487 62.300 0.016 0.000 1.053 2238 V CB 0.394 32.226 31.823 0.014 0.000 0.857 2238 V HN 0.925 nan 8.190 nan 0.000 0.436 2239 G N -1.041 107.402 108.800 -0.596 0.000 2.550 2239 G HA2 0.496 4.447 3.960 -0.016 0.000 0.293 2239 G HA3 0.496 4.447 3.960 -0.016 0.000 0.293 2239 G C -1.479 173.145 174.900 -0.460 0.000 1.402 2239 G CA -0.267 44.235 45.100 -0.997 0.000 0.784 2239 G HN 0.009 nan 8.290 nan 0.000 0.482 2240 S N -0.146 115.414 115.700 -0.234 0.000 2.449 2240 S HA 0.508 4.969 4.470 -0.016 0.000 0.310 2240 S C -0.455 174.136 174.600 -0.015 0.000 1.096 2240 S CA -0.430 57.792 58.200 0.036 0.000 1.095 2240 S CB 1.736 65.068 63.200 0.220 0.000 1.007 2240 S HN 0.573 nan 8.310 nan 0.000 0.474 2241 E N 2.087 122.267 120.200 -0.034 0.000 2.290 2241 E HA 0.343 4.683 4.350 -0.016 0.000 0.277 2241 E C -0.668 175.862 176.600 -0.117 0.000 1.035 2241 E CA 0.283 56.641 56.400 -0.071 0.000 0.873 2241 E CB 0.568 30.231 29.700 -0.062 0.000 1.029 2241 E HN 0.462 nan 8.360 nan 0.000 0.419 2242 T N 4.877 119.281 114.554 -0.249 0.000 2.876 2242 T HA 0.494 4.835 4.350 -0.016 0.000 0.289 2242 T C -0.659 173.730 174.700 -0.519 0.000 1.014 2242 T CA -0.748 61.114 62.100 -0.397 0.000 0.986 2242 T CB 1.261 69.785 68.868 -0.572 0.000 1.021 2242 T HN 0.313 nan 8.240 nan 0.000 0.458 2243 R N 1.975 122.270 120.500 -0.341 0.000 2.561 2243 R HA 0.711 5.041 4.340 -0.016 0.000 0.297 2243 R C -1.721 174.469 176.300 -0.183 0.000 0.969 2243 R CA -0.556 55.392 56.100 -0.254 0.000 0.879 2243 R CB 1.373 31.593 30.300 -0.133 0.000 1.178 2243 R HN 0.446 nan 8.270 nan 0.000 0.445 2244 V N 4.468 124.311 119.914 -0.119 0.000 2.487 2244 V HA 0.397 4.507 4.120 -0.016 0.000 0.298 2244 V C -0.413 175.674 176.094 -0.013 0.000 1.028 2244 V CA -0.853 61.427 62.300 -0.032 0.000 0.860 2244 V CB 1.834 33.706 31.823 0.081 0.000 0.991 2244 V HN 0.684 nan 8.190 nan 0.000 0.427 2245 K N 2.956 123.339 120.400 -0.030 0.000 2.182 2245 K HA 0.610 4.921 4.320 -0.016 0.000 0.262 2245 K C -0.908 175.683 176.600 -0.015 0.000 0.957 2245 K CA -0.714 55.577 56.287 0.006 0.000 0.842 2245 K CB 2.280 34.801 32.500 0.036 0.000 1.099 2245 K HN 0.460 nan 8.250 nan 0.000 0.438 2246 V N 4.407 124.315 119.914 -0.009 0.000 2.356 2246 V HA -0.001 4.110 4.120 -0.016 0.000 0.258 2246 V C 0.983 176.996 176.094 -0.134 0.000 1.065 2246 V CA -0.031 62.224 62.300 -0.075 0.000 0.935 2246 V CB 0.829 32.595 31.823 -0.094 0.000 1.061 2246 V HN 0.683 nan 8.190 nan 0.000 0.484 2247 V N 4.197 124.051 119.914 -0.100 0.000 2.878 2247 V HA 0.131 4.241 4.120 -0.016 0.000 0.250 2247 V C 0.892 176.847 176.094 -0.231 0.000 1.075 2247 V CA 1.225 63.498 62.300 -0.044 0.000 1.096 2247 V CB 0.079 31.966 31.823 0.107 0.000 0.724 2247 V HN 0.803 nan 8.190 nan 0.000 0.467 2248 K N 0.809 121.075 120.400 -0.224 0.000 2.501 2248 K HA 0.397 4.707 4.320 -0.016 0.000 0.252 2248 K C -1.582 174.867 176.600 -0.251 0.000 0.934 2248 K CA -0.576 55.556 56.287 -0.259 0.000 0.797 2248 K CB 1.784 34.207 32.500 -0.128 0.000 1.270 2248 K HN 0.111 nan 8.250 nan 0.000 0.431 2249 N N 3.000 121.517 118.700 -0.304 0.000 2.503 2249 N HA 0.229 4.960 4.740 -0.016 0.000 0.287 2249 N C -0.953 174.396 175.510 -0.269 0.000 1.096 2249 N CA -0.391 52.504 53.050 -0.260 0.000 0.936 2249 N CB 1.845 40.160 38.487 -0.286 0.000 1.570 2249 N HN 0.684 nan 8.380 nan 0.000 0.504 2250 K N 2.303 122.583 120.400 -0.199 0.000 2.355 2250 K HA 0.290 4.601 4.320 -0.016 0.000 0.198 2250 K C 1.339 177.807 176.600 -0.219 0.000 1.039 2250 K CA 0.303 56.468 56.287 -0.203 0.000 1.075 2250 K CB 0.360 32.795 32.500 -0.110 0.000 0.870 2250 K HN 0.684 nan 8.250 nan 0.000 0.540 2251 I N -4.094 116.365 120.570 -0.185 0.000 4.181 2251 I HA 0.398 4.558 4.170 -0.016 0.000 0.331 2251 I C 0.256 176.285 176.117 -0.146 0.000 1.312 2251 I CA -0.438 60.778 61.300 -0.140 0.000 1.146 2251 I CB 0.869 38.822 38.000 -0.077 0.000 1.074 2251 I HN -0.170 nan 8.210 nan 0.000 0.402 2252 A N 1.160 123.863 122.820 -0.195 0.000 2.564 2252 A HA 0.796 5.107 4.320 -0.016 0.000 0.291 2252 A C -0.641 176.798 177.584 -0.241 0.000 1.102 2252 A CA -0.251 51.689 52.037 -0.161 0.000 0.660 2252 A CB 0.257 19.205 19.000 -0.087 0.000 1.283 2252 A HN 0.340 nan 8.150 nan 0.000 0.430 2253 A N 1.273 123.983 122.820 -0.184 0.000 2.561 2253 A HA 0.528 4.838 4.320 -0.016 0.000 0.234 2253 A C -1.964 175.432 177.584 -0.313 0.000 1.055 2253 A CA -0.001 51.872 52.037 -0.274 0.000 0.756 2253 A CB -0.764 18.210 19.000 -0.044 0.000 0.986 2253 A HN 0.565 nan 8.150 nan 0.000 0.505 2254 P HA 0.557 nan 4.420 nan 0.000 0.284 2254 P C -0.178 176.932 177.300 -0.317 0.000 1.292 2254 P CA -0.291 62.458 63.100 -0.585 0.000 0.800 2254 P CB 0.258 31.311 31.700 -1.078 0.000 1.188 2255 F N -4.478 115.451 119.950 -0.036 0.000 2.699 2255 F HA -0.193 4.325 4.527 -0.016 0.000 0.343 2255 F C 0.685 176.493 175.800 0.013 0.000 0.633 2255 F CA 0.601 58.604 58.000 0.005 0.000 1.365 2255 F CB -2.434 36.590 39.000 0.041 0.000 1.795 2255 F HN 0.235 nan 8.300 nan 0.000 0.304 2256 K N 1.279 121.747 120.400 0.114 0.000 2.138 2256 K HA 0.505 4.816 4.320 -0.016 0.000 0.251 2256 K C 0.478 177.118 176.600 0.067 0.000 1.015 2256 K CA -0.253 56.085 56.287 0.084 0.000 0.917 2256 K CB 0.735 33.265 32.500 0.049 0.000 1.021 2256 K HN 0.422 nan 8.250 nan 0.000 0.485 2257 Q N -0.388 119.447 119.800 0.057 0.000 2.456 2257 Q HA 0.730 5.061 4.340 -0.016 0.000 0.283 2257 Q C -1.729 174.299 176.000 0.046 0.000 1.084 2257 Q CA -1.297 54.533 55.803 0.044 0.000 0.801 2257 Q CB 2.066 30.825 28.738 0.035 0.000 1.434 2257 Q HN 0.529 nan 8.270 nan 0.000 0.419 2258 A N 1.235 124.089 122.820 0.056 0.000 2.365 2258 A HA 0.673 4.983 4.320 -0.016 0.000 0.318 2258 A C -1.210 176.390 177.584 0.026 0.000 1.091 2258 A CA -0.615 51.483 52.037 0.102 0.000 0.763 2258 A CB 1.682 20.811 19.000 0.216 0.000 1.248 2258 A HN 0.747 nan 8.150 nan 0.000 0.442 2259 E N 0.475 120.694 120.200 0.032 0.000 2.234 2259 E HA 0.655 4.996 4.350 -0.016 0.000 0.266 2259 E C -1.431 175.177 176.600 0.013 0.000 0.877 2259 E CA -0.306 56.028 56.400 -0.110 0.000 0.758 2259 E CB 1.956 31.612 29.700 -0.073 0.000 1.170 2259 E HN 0.612 nan 8.360 nan 0.000 0.415 2260 F N -0.931 119.012 119.950 -0.010 0.000 2.779 2260 F HA 0.447 4.964 4.527 -0.016 0.000 0.316 2260 F C -1.142 174.653 175.800 -0.008 0.000 1.164 2260 F CA -1.209 56.782 58.000 -0.016 0.000 0.924 2260 F CB 0.921 39.911 39.000 -0.016 0.000 1.348 2260 F HN 0.150 nan 8.300 nan 0.000 0.467 2261 Q N 1.267 121.242 119.800 0.292 0.000 2.245 2261 Q HA 0.657 4.988 4.340 -0.016 0.000 0.256 2261 Q C -1.170 174.995 176.000 0.275 0.000 0.942 2261 Q CA -0.777 55.124 55.803 0.163 0.000 0.896 2261 Q CB 2.879 31.659 28.738 0.069 0.000 1.272 2261 Q HN 0.582 nan 8.270 nan 0.000 0.442 2262 I N 3.424 124.100 120.570 0.177 0.000 2.328 2262 I HA 0.244 4.404 4.170 -0.016 0.000 0.287 2262 I C -0.651 175.462 176.117 -0.007 0.000 1.012 2262 I CA -0.452 60.953 61.300 0.175 0.000 1.195 2262 I CB 0.740 38.895 38.000 0.257 0.000 1.350 2262 I HN 0.355 nan 8.210 nan 0.000 0.464 2263 L N 6.986 128.212 121.223 0.004 0.000 2.275 2263 L HA 0.353 4.683 4.340 -0.016 0.000 0.288 2263 L C -0.593 176.309 176.870 0.053 0.000 1.046 2263 L CA -0.881 53.905 54.840 -0.090 0.000 0.805 2263 L CB 0.358 42.406 42.059 -0.019 0.000 1.193 2263 L HN 0.379 nan 8.230 nan 0.000 0.426 2264 Y N 1.653 122.049 120.300 0.160 0.000 2.610 2264 Y HA 0.196 4.736 4.550 -0.016 0.000 0.332 2264 Y C 1.505 177.534 175.900 0.215 0.000 1.201 2264 Y CA 0.215 58.441 58.100 0.210 0.000 1.465 2264 Y CB 0.024 38.579 38.460 0.158 0.000 1.283 2264 Y HN 0.855 nan 8.280 nan 0.000 0.563 2265 G N 1.710 110.824 108.800 0.522 0.000 2.168 2265 G HA2 -0.371 3.580 3.960 -0.016 0.000 0.263 2265 G HA3 -0.371 3.580 3.960 -0.016 0.000 0.263 2265 G C 0.769 175.707 174.900 0.064 0.000 0.977 2265 G CA 0.871 46.147 45.100 0.292 0.000 0.659 2265 G HN 0.727 nan 8.290 nan 0.000 0.533 2266 E N -1.757 118.481 120.200 0.063 0.000 2.571 2266 E HA 0.454 4.794 4.350 -0.016 0.000 0.204 2266 E C 1.355 177.951 176.600 -0.007 0.000 0.851 2266 E CA 1.184 57.594 56.400 0.016 0.000 1.358 2266 E CB 0.498 30.227 29.700 0.048 0.000 1.327 2266 E HN 1.756 nan 8.360 nan 0.000 0.665 2267 G N 0.918 109.744 108.800 0.044 0.000 2.428 2267 G HA2 -0.159 3.792 3.960 -0.016 0.000 0.202 2267 G HA3 -0.159 3.792 3.960 -0.016 0.000 0.202 2267 G C -0.600 174.344 174.900 0.074 0.000 1.247 2267 G CA -0.401 44.726 45.100 0.046 0.000 1.020 2267 G HN 0.169 nan 8.290 nan 0.000 0.529 2268 I N 1.404 121.998 120.570 0.040 0.000 2.618 2268 I HA 0.063 4.224 4.170 -0.016 0.000 0.284 2268 I C 0.665 176.803 176.117 0.035 0.000 1.146 2268 I CA -0.168 61.141 61.300 0.016 0.000 1.425 2268 I CB 0.707 38.597 38.000 -0.184 0.000 1.383 2268 I HN 0.462 nan 8.210 nan 0.000 0.562 2269 N N 6.429 125.172 118.700 0.072 0.000 2.807 2269 N HA -0.008 4.723 4.740 -0.016 0.000 0.259 2269 N C 0.541 176.078 175.510 0.044 0.000 1.149 2269 N CA 0.065 53.163 53.050 0.079 0.000 1.042 2269 N CB -0.091 38.445 38.487 0.082 0.000 1.367 2269 N HN 0.518 nan 8.380 nan 0.000 0.516 2270 F N 2.899 122.766 119.950 -0.139 0.000 2.102 2270 F HA -0.172 4.345 4.527 -0.016 0.000 0.298 2270 F C 0.891 176.554 175.800 -0.229 0.000 1.105 2270 F CA 1.555 59.398 58.000 -0.261 0.000 1.239 2270 F CB -0.098 38.648 39.000 -0.422 0.000 0.991 2270 F HN 0.399 nan 8.300 nan 0.000 0.474 2271 Y N 0.462 120.815 120.300 0.088 0.000 2.352 2271 Y HA 0.028 4.568 4.550 -0.016 0.000 0.292 2271 Y C 2.625 178.466 175.900 -0.098 0.000 1.136 2271 Y CA 0.910 59.004 58.100 -0.010 0.000 1.227 2271 Y CB -1.266 37.238 38.460 0.073 0.000 0.991 2271 Y HN 0.145 nan 8.280 nan 0.000 0.545 2272 G N 0.037 108.869 108.800 0.053 0.000 2.459 2272 G HA2 -0.257 3.693 3.960 -0.016 0.000 0.217 2272 G HA3 -0.257 3.693 3.960 -0.016 0.000 0.217 2272 G C 1.487 176.351 174.900 -0.061 0.000 1.183 2272 G CA 1.087 46.184 45.100 -0.004 0.000 0.776 2272 G HN 0.400 nan 8.290 nan 0.000 0.552 2273 E N -0.265 119.861 120.200 -0.124 0.000 2.097 2273 E HA -0.153 4.187 4.350 -0.016 0.000 0.196 2273 E C 2.399 178.881 176.600 -0.197 0.000 1.000 2273 E CA 0.906 57.209 56.400 -0.161 0.000 0.804 2273 E CB -0.231 29.312 29.700 -0.262 0.000 0.740 2273 E HN 0.304 nan 8.360 nan 0.000 0.454 2274 L N 0.684 121.727 121.223 -0.299 0.000 2.042 2274 L HA -0.179 4.152 4.340 -0.016 0.000 0.210 2274 L C 2.212 179.039 176.870 -0.072 0.000 1.076 2274 L CA 1.382 56.091 54.840 -0.218 0.000 0.749 2274 L CB -0.403 41.534 42.059 -0.203 0.000 0.893 2274 L HN -0.024 nan 8.230 nan 0.000 0.432 2275 V N -0.192 119.694 119.914 -0.047 0.000 2.233 2275 V HA -0.332 3.779 4.120 -0.016 0.000 0.247 2275 V C 2.326 178.430 176.094 0.017 0.000 1.050 2275 V CA 2.086 64.367 62.300 -0.031 0.000 1.010 2275 V CB -0.795 30.949 31.823 -0.131 0.000 0.637 2275 V HN 0.424 nan 8.190 nan 0.000 0.444 2276 D N -0.089 120.314 120.400 0.005 0.000 2.116 2276 D HA -0.156 4.475 4.640 -0.016 0.000 0.193 2276 D C 2.051 178.371 176.300 0.034 0.000 0.998 2276 D CA 1.130 55.153 54.000 0.038 0.000 0.836 2276 D CB -0.349 40.463 40.800 0.020 0.000 0.951 2276 D HN 0.162 nan 8.370 nan 0.000 0.449 2277 L N 0.661 121.884 121.223 -0.000 0.000 2.046 2277 L HA -0.037 4.294 4.340 -0.016 0.000 0.208 2277 L C 2.544 179.431 176.870 0.028 0.000 1.077 2277 L CA 1.690 56.531 54.840 0.002 0.000 0.747 2277 L CB -1.653 40.385 42.059 -0.036 0.000 0.896 2277 L HN 0.082 nan 8.230 nan 0.000 0.432 2278 G N -0.985 107.836 108.800 0.035 0.000 2.446 2278 G HA2 -0.210 3.741 3.960 -0.016 0.000 0.217 2278 G HA3 -0.210 3.741 3.960 -0.016 0.000 0.217 2278 G C 1.762 176.723 174.900 0.102 0.000 1.168 2278 G CA 1.094 46.237 45.100 0.072 0.000 0.771 2278 G HN 0.276 nan 8.290 nan 0.000 0.551 2279 V N 0.820 120.804 119.914 0.116 0.000 2.295 2279 V HA -0.153 3.958 4.120 -0.016 0.000 0.246 2279 V C 2.704 178.847 176.094 0.081 0.000 1.049 2279 V CA 2.225 64.599 62.300 0.125 0.000 1.024 2279 V CB -0.388 31.539 31.823 0.172 0.000 0.648 2279 V HN 0.407 nan 8.190 nan 0.000 0.447 2280 K N -0.145 120.295 120.400 0.066 0.000 2.103 2280 K HA -0.195 4.116 4.320 -0.016 0.000 0.207 2280 K C 1.747 178.374 176.600 0.045 0.000 1.048 2280 K CA 1.425 57.740 56.287 0.048 0.000 0.930 2280 K CB -0.015 32.509 32.500 0.039 0.000 0.716 2280 K HN 0.369 nan 8.250 nan 0.000 0.444 2281 E N 0.763 120.994 120.200 0.051 0.000 2.476 2281 E HA -0.012 4.329 4.350 -0.016 0.000 0.191 2281 E C -0.220 176.415 176.600 0.058 0.000 1.064 2281 E CA 0.140 56.571 56.400 0.051 0.000 0.866 2281 E CB 0.462 30.192 29.700 0.050 0.000 0.952 2281 E HN 0.187 nan 8.360 nan 0.000 0.492 2282 K N -0.166 120.272 120.400 0.063 0.000 3.160 2282 K HA -0.193 4.117 4.320 -0.016 0.000 0.280 2282 K C 0.892 177.540 176.600 0.080 0.000 1.154 2282 K CA 0.454 56.778 56.287 0.061 0.000 0.822 2282 K CB -2.122 30.403 32.500 0.041 0.000 1.239 2282 K HN 0.253 nan 8.250 nan 0.000 0.489 2283 L N -0.549 120.745 121.223 0.118 0.000 2.298 2283 L HA 0.235 4.566 4.340 -0.016 0.000 0.209 2283 L C 1.152 178.180 176.870 0.263 0.000 1.084 2283 L CA 0.436 55.385 54.840 0.182 0.000 0.816 2283 L CB 0.175 42.359 42.059 0.209 0.000 0.967 2283 L HN 0.102 nan 8.230 nan 0.000 0.460 2284 I N 0.042 120.746 120.570 0.223 0.000 2.378 2284 I HA 0.198 4.359 4.170 -0.016 0.000 0.291 2284 I C -0.168 176.047 176.117 0.163 0.000 0.992 2284 I CA -0.540 60.909 61.300 0.249 0.000 1.154 2284 I CB 1.993 40.142 38.000 0.247 0.000 1.315 2284 I HN -0.076 nan 8.210 nan 0.000 0.448 2285 E N 6.099 126.374 120.200 0.125 0.000 2.301 2285 E HA 0.264 4.605 4.350 -0.016 0.000 0.275 2285 E C -0.757 175.849 176.600 0.009 0.000 1.030 2285 E CA -0.332 56.099 56.400 0.051 0.000 0.852 2285 E CB 1.004 30.715 29.700 0.019 0.000 1.060 2285 E HN 0.320 nan 8.360 nan 0.000 0.401 2286 K N 2.741 123.102 120.400 -0.065 0.000 2.616 2286 K HA 0.526 4.836 4.320 -0.016 0.000 0.241 2286 K C -1.730 174.784 176.600 -0.143 0.000 0.961 2286 K CA -0.634 55.521 56.287 -0.221 0.000 0.942 2286 K CB 1.094 33.394 32.500 -0.334 0.000 1.153 2286 K HN 0.505 nan 8.250 nan 0.000 0.452 2287 A N 3.389 126.154 122.820 -0.091 0.000 2.412 2287 A HA 0.605 4.915 4.320 -0.016 0.000 0.334 2287 A C 0.794 178.374 177.584 -0.006 0.000 1.419 2287 A CA 0.380 52.399 52.037 -0.030 0.000 0.930 2287 A CB 0.115 19.117 19.000 0.002 0.000 1.149 2287 A HN 1.023 nan 8.150 nan 0.000 0.515 2288 G N 1.945 110.718 108.800 -0.045 0.000 2.687 2288 G HA2 -0.069 3.882 3.960 -0.016 0.000 0.303 2288 G HA3 -0.069 3.882 3.960 -0.016 0.000 0.303 2288 G C 1.292 176.126 174.900 -0.110 0.000 1.209 2288 G CA 0.891 45.966 45.100 -0.042 0.000 0.968 2288 G HN 1.985 nan 8.290 nan 0.000 0.549 2289 A N -0.879 121.880 122.820 -0.101 0.000 2.303 2289 A HA 0.517 4.827 4.320 -0.016 0.000 0.217 2289 A C 0.614 178.041 177.584 -0.262 0.000 1.205 2289 A CA 0.455 52.378 52.037 -0.190 0.000 0.875 2289 A CB 0.056 18.939 19.000 -0.195 0.000 0.910 2289 A HN 0.566 nan 8.150 nan 0.000 0.501 2290 W N -0.126 121.084 121.300 -0.150 0.000 2.335 2290 W HA 0.504 5.155 4.660 -0.016 0.000 0.306 2290 W C -0.736 175.661 176.519 -0.205 0.000 1.216 2290 W CA -0.079 57.208 57.345 -0.097 0.000 1.237 2290 W CB 0.372 29.792 29.460 -0.066 0.000 1.243 2290 W HN 0.233 nan 8.180 nan 0.000 0.493 2291 Y N 2.562 123.004 120.300 0.238 0.000 2.330 2291 Y HA 0.453 4.993 4.550 -0.016 0.000 0.336 2291 Y C 0.486 176.443 175.900 0.096 0.000 1.036 2291 Y CA -0.370 57.802 58.100 0.120 0.000 1.125 2291 Y CB 1.407 39.895 38.460 0.047 0.000 1.194 2291 Y HN 0.139 nan 8.280 nan 0.000 0.469 2292 S N 2.425 118.229 115.700 0.173 0.000 2.526 2292 S HA 0.427 4.887 4.470 -0.016 0.000 0.293 2292 S C -1.961 172.704 174.600 0.108 0.000 1.092 2292 S CA -0.804 57.435 58.200 0.064 0.000 0.980 2292 S CB 1.378 64.582 63.200 0.007 0.000 1.048 2292 S HN 0.494 nan 8.310 nan 0.000 0.483 2293 Y N 2.613 122.842 120.300 -0.118 0.000 2.350 2293 Y HA 0.376 4.916 4.550 -0.016 0.000 0.338 2293 Y C 0.155 176.032 175.900 -0.039 0.000 0.961 2293 Y CA -1.063 57.000 58.100 -0.061 0.000 1.100 2293 Y CB 0.700 39.120 38.460 -0.065 0.000 1.179 2293 Y HN 0.797 nan 8.280 nan 0.000 0.454 2294 K N 4.848 124.905 120.400 -0.571 0.000 3.177 2294 K HA -0.275 4.035 4.320 -0.016 0.000 0.266 2294 K C 0.958 177.436 176.600 -0.205 0.000 0.937 2294 K CA 1.034 57.057 56.287 -0.441 0.000 0.702 2294 K CB -1.673 30.477 32.500 -0.582 0.000 1.365 2294 K HN 1.295 nan 8.250 nan 0.000 0.466 2295 G N -0.139 108.575 108.800 -0.143 0.000 2.284 2295 G HA2 -0.343 3.607 3.960 -0.016 0.000 0.247 2295 G HA3 -0.343 3.607 3.960 -0.016 0.000 0.247 2295 G C -0.114 174.728 174.900 -0.096 0.000 1.012 2295 G CA 0.414 45.453 45.100 -0.102 0.000 0.618 2295 G HN 0.456 nan 8.290 nan 0.000 0.521 2296 E N 1.525 121.670 120.200 -0.091 0.000 2.200 2296 E HA 0.378 4.718 4.350 -0.016 0.000 0.283 2296 E C 0.071 176.588 176.600 -0.138 0.000 1.015 2296 E CA -0.513 55.831 56.400 -0.093 0.000 0.819 2296 E CB 0.431 30.106 29.700 -0.041 0.000 1.081 2296 E HN 0.364 nan 8.360 nan 0.000 0.397 2297 K N 4.175 124.483 120.400 -0.152 0.000 2.412 2297 K HA 0.077 4.387 4.320 -0.016 0.000 0.281 2297 K C 1.153 177.637 176.600 -0.194 0.000 1.027 2297 K CA 0.192 56.401 56.287 -0.128 0.000 0.989 2297 K CB 0.521 32.879 32.500 -0.236 0.000 0.935 2297 K HN 0.535 nan 8.250 nan 0.000 0.475 2298 I N -1.501 118.934 120.570 -0.225 0.000 4.187 2298 I HA 0.331 4.492 4.170 -0.016 0.000 0.326 2298 I C 0.552 176.560 176.117 -0.183 0.000 1.302 2298 I CA -0.330 60.578 61.300 -0.654 0.000 1.196 2298 I CB 1.048 38.351 38.000 -1.161 0.000 1.095 2298 I HN 0.566 nan 8.210 nan 0.000 0.411 2299 G N 1.359 110.248 108.800 0.147 0.000 2.384 2299 G HA2 0.187 4.137 3.960 -0.016 0.000 0.300 2299 G HA3 0.187 4.137 3.960 -0.016 0.000 0.300 2299 G C -2.097 172.788 174.900 -0.024 0.000 1.582 2299 G CA -0.691 44.480 45.100 0.118 0.000 0.875 2299 G HN 0.209 nan 8.290 nan 0.000 0.628 2300 Q N 0.381 119.881 119.800 -0.500 0.000 2.303 2300 Q HA 0.554 4.885 4.340 -0.016 0.000 0.257 2300 Q C 0.454 176.286 176.000 -0.280 0.000 0.941 2300 Q CA 0.553 55.877 55.803 -0.799 0.000 0.931 2300 Q CB 1.105 29.018 28.738 -1.373 0.000 1.215 2300 Q HN 2.395 nan 8.270 nan 0.000 0.437 2301 G N 3.003 111.777 108.800 -0.043 0.000 2.722 2301 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.686 2301 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.686 2301 G C 0.008 174.929 174.900 0.035 0.000 1.282 2301 G CA -0.028 45.110 45.100 0.064 0.000 0.817 2301 G HN 0.795 nan 8.290 nan 0.000 0.605 2302 K N 0.982 121.393 120.400 0.018 0.000 2.074 2302 K HA -0.045 4.265 4.320 -0.016 0.000 0.209 2302 K C 2.987 179.471 176.600 -0.192 0.000 1.048 2302 K CA 2.525 58.670 56.287 -0.236 0.000 0.926 2302 K CB -0.357 32.098 32.500 -0.076 0.000 0.713 2302 K HN 1.184 nan 8.250 nan 0.000 0.444 2303 A N 1.301 124.067 122.820 -0.091 0.000 1.892 2303 A HA -0.264 4.046 4.320 -0.016 0.000 0.218 2303 A C 1.797 179.345 177.584 -0.059 0.000 1.188 2303 A CA 2.179 54.180 52.037 -0.060 0.000 0.631 2303 A CB -0.889 18.089 19.000 -0.037 0.000 0.822 2303 A HN 0.562 nan 8.150 nan 0.000 0.447 2304 N N -0.505 118.154 118.700 -0.068 0.000 2.216 2304 N HA 0.014 4.744 4.740 -0.016 0.000 0.183 2304 N C 2.010 177.516 175.510 -0.006 0.000 1.017 2304 N CA 0.781 53.813 53.050 -0.030 0.000 0.861 2304 N CB -0.205 38.257 38.487 -0.042 0.000 0.986 2304 N HN 0.502 nan 8.380 nan 0.000 0.428 2305 A N 0.850 123.603 122.820 -0.112 0.000 1.902 2305 A HA -0.145 4.166 4.320 -0.016 0.000 0.217 2305 A C 2.280 179.851 177.584 -0.022 0.000 1.181 2305 A CA 1.727 53.690 52.037 -0.124 0.000 0.623 2305 A CB -1.014 17.673 19.000 -0.522 0.000 0.818 2305 A HN 0.208 nan 8.150 nan 0.000 0.443 2306 T N 0.531 115.038 114.554 -0.079 0.000 2.652 2306 T HA -0.088 4.252 4.350 -0.016 0.000 0.267 2306 T C 2.235 176.918 174.700 -0.030 0.000 1.039 2306 T CA 1.817 63.906 62.100 -0.020 0.000 1.153 2306 T CB -0.588 68.274 68.868 -0.010 0.000 0.863 2306 T HN 0.627 nan 8.240 nan 0.000 0.428 2307 A N 0.318 123.131 122.820 -0.012 0.000 1.940 2307 A HA -0.148 4.162 4.320 -0.016 0.000 0.219 2307 A C 2.059 179.629 177.584 -0.024 0.000 1.176 2307 A CA 1.715 53.736 52.037 -0.026 0.000 0.631 2307 A CB -1.179 17.826 19.000 0.008 0.000 0.814 2307 A HN 0.718 nan 8.150 nan 0.000 0.446 2308 W N 0.417 121.648 121.300 -0.115 0.000 2.381 2308 W HA -0.109 4.542 4.660 -0.016 0.000 0.301 2308 W C 1.829 178.256 176.519 -0.154 0.000 1.205 2308 W CA 1.812 59.100 57.345 -0.095 0.000 1.285 2308 W CB -0.255 29.182 29.460 -0.039 0.000 1.133 2308 W HN 0.255 nan 8.180 nan 0.000 0.521 2309 L N 0.543 121.757 121.223 -0.014 0.000 2.046 2309 L HA -0.225 4.105 4.340 -0.016 0.000 0.208 2309 L C 2.568 179.031 176.870 -0.678 0.000 1.077 2309 L CA 1.615 56.300 54.840 -0.258 0.000 0.747 2309 L CB -0.931 41.110 42.059 -0.030 0.000 0.896 2309 L HN -0.093 nan 8.230 nan 0.000 0.432 2310 K N -0.102 119.787 120.400 -0.851 0.000 2.103 2310 K HA -0.249 4.061 4.320 -0.016 0.000 0.207 2310 K C 1.588 177.882 176.600 -0.509 0.000 1.048 2310 K CA 1.887 57.617 56.287 -0.928 0.000 0.930 2310 K CB -0.012 32.176 32.500 -0.520 0.000 0.716 2310 K HN 0.190 nan 8.250 nan 0.000 0.444 2311 D N -0.240 119.893 120.400 -0.445 0.000 2.249 2311 D HA -0.029 4.601 4.640 -0.016 0.000 0.205 2311 D C -0.414 175.614 176.300 -0.454 0.000 0.962 2311 D CA 0.679 54.451 54.000 -0.380 0.000 0.860 2311 D CB 0.203 40.800 40.800 -0.337 0.000 0.955 2311 D HN 0.097 nan 8.370 nan 0.000 0.505 2312 N N 0.019 118.336 118.700 -0.638 0.000 2.976 2312 N HA 0.212 4.942 4.740 -0.016 0.000 0.255 2312 N C -2.162 173.124 175.510 -0.374 0.000 1.312 2312 N CA -1.131 51.560 53.050 -0.598 0.000 0.897 2312 N CB 1.778 39.625 38.487 -1.066 0.000 1.184 2312 N HN 0.012 nan 8.380 nan 0.000 0.497 2313 P HA -0.117 nan 4.420 nan 0.000 0.221 2313 P C 0.897 178.169 177.300 -0.047 0.000 1.150 2313 P CA 1.055 64.097 63.100 -0.097 0.000 0.800 2313 P CB 0.461 32.124 31.700 -0.062 0.000 0.787 2314 E N -0.512 119.646 120.200 -0.070 0.000 2.072 2314 E HA -0.103 4.237 4.350 -0.016 0.000 0.191 2314 E C 1.826 178.421 176.600 -0.008 0.000 0.985 2314 E CA 1.477 57.860 56.400 -0.028 0.000 0.801 2314 E CB -1.773 27.912 29.700 -0.025 0.000 0.750 2314 E HN 0.250 nan 8.360 nan 0.000 0.452 2315 T N 1.731 116.261 114.554 -0.041 0.000 2.821 2315 T HA -0.025 4.316 4.350 -0.016 0.000 0.267 2315 T C 2.048 176.726 174.700 -0.037 0.000 1.046 2315 T CA 1.400 63.492 62.100 -0.012 0.000 1.139 2315 T CB -0.248 68.620 68.868 0.000 0.000 0.871 2315 T HN 0.317 nan 8.240 nan 0.000 0.454 2316 A N 2.172 124.977 122.820 -0.024 0.000 1.883 2316 A HA -0.149 4.161 4.320 -0.016 0.000 0.217 2316 A C 2.303 179.951 177.584 0.107 0.000 1.186 2316 A CA 1.302 53.389 52.037 0.084 0.000 0.624 2316 A CB -0.347 18.792 19.000 0.231 0.000 0.822 2316 A HN 0.199 nan 8.150 nan 0.000 0.444 2317 K N -0.139 120.312 120.400 0.085 0.000 2.063 2317 K HA -0.191 4.119 4.320 -0.016 0.000 0.208 2317 K C 1.916 178.555 176.600 0.064 0.000 1.048 2317 K CA 1.678 58.009 56.287 0.074 0.000 0.928 2317 K CB -0.556 31.971 32.500 0.044 0.000 0.713 2317 K HN 0.800 nan 8.250 nan 0.000 0.442 2318 E N 0.630 120.864 120.200 0.057 0.000 2.051 2318 E HA -0.154 4.187 4.350 -0.016 0.000 0.192 2318 E C 2.102 178.747 176.600 0.076 0.000 0.991 2318 E CA 1.035 57.479 56.400 0.074 0.000 0.799 2318 E CB -0.045 29.718 29.700 0.104 0.000 0.748 2318 E HN 0.235 nan 8.360 nan 0.000 0.449 2319 I N 0.958 121.550 120.570 0.036 0.000 2.226 2319 I HA -0.236 3.924 4.170 -0.016 0.000 0.245 2319 I C 2.721 178.868 176.117 0.049 0.000 1.100 2319 I CA 1.248 62.566 61.300 0.029 0.000 1.374 2319 I CB -0.381 37.579 38.000 -0.067 0.000 1.057 2319 I HN 0.258 nan 8.210 nan 0.000 0.413 2320 E N 1.591 121.827 120.200 0.060 0.000 2.077 2320 E HA -0.301 4.039 4.350 -0.016 0.000 0.193 2320 E C 2.225 178.862 176.600 0.062 0.000 0.989 2320 E CA 1.412 57.853 56.400 0.068 0.000 0.800 2320 E CB 0.025 29.806 29.700 0.136 0.000 0.746 2320 E HN 0.333 nan 8.360 nan 0.000 0.452 2321 K N 0.697 121.134 120.400 0.063 0.000 2.063 2321 K HA -0.199 4.111 4.320 -0.016 0.000 0.208 2321 K C 2.096 178.727 176.600 0.052 0.000 1.048 2321 K CA 1.664 57.983 56.287 0.054 0.000 0.928 2321 K CB 0.070 32.602 32.500 0.052 0.000 0.713 2321 K HN -0.048 nan 8.250 nan 0.000 0.442 2322 K N -0.042 120.394 120.400 0.061 0.000 2.057 2322 K HA -0.068 4.242 4.320 -0.016 0.000 0.206 2322 K C 1.945 178.576 176.600 0.052 0.000 1.050 2322 K CA 1.189 57.513 56.287 0.063 0.000 0.935 2322 K CB 0.054 32.605 32.500 0.085 0.000 0.715 2322 K HN -0.037 nan 8.250 nan 0.000 0.439 2323 V N 1.326 121.268 119.914 0.047 0.000 2.407 2323 V HA -0.263 3.848 4.120 -0.016 0.000 0.248 2323 V C 2.172 178.283 176.094 0.028 0.000 1.055 2323 V CA 1.717 64.037 62.300 0.033 0.000 1.049 2323 V CB -0.434 31.397 31.823 0.014 0.000 0.662 2323 V HN 0.270 nan 8.190 nan 0.000 0.455 2324 R N -0.260 120.259 120.500 0.031 0.000 2.066 2324 R HA -0.142 4.188 4.340 -0.016 0.000 0.232 2324 R C 2.352 178.669 176.300 0.030 0.000 1.131 2324 R CA 1.592 57.710 56.100 0.029 0.000 0.955 2324 R CB -0.296 30.024 30.300 0.033 0.000 0.851 2324 R HN 0.595 nan 8.270 nan 0.000 0.432 2325 E N 0.596 120.816 120.200 0.033 0.000 2.085 2325 E HA -0.201 4.140 4.350 -0.016 0.000 0.194 2325 E C 1.969 178.588 176.600 0.032 0.000 0.994 2325 E CA 1.097 57.517 56.400 0.032 0.000 0.801 2325 E CB -0.059 29.662 29.700 0.035 0.000 0.743 2325 E HN 0.287 nan 8.360 nan 0.000 0.453 2326 L N -0.015 121.228 121.223 0.034 0.000 2.156 2326 L HA -0.098 4.232 4.340 -0.016 0.000 0.208 2326 L C 2.008 178.896 176.870 0.030 0.000 1.095 2326 L CA 0.750 55.610 54.840 0.033 0.000 0.770 2326 L CB 0.090 42.171 42.059 0.036 0.000 0.914 2326 L HN 0.147 nan 8.230 nan 0.000 0.439 2327 L N -1.363 119.877 121.223 0.028 0.000 2.672 2327 L HA 0.194 4.525 4.340 -0.016 0.000 0.236 2327 L C 0.398 177.283 176.870 0.026 0.000 1.092 2327 L CA -0.263 54.593 54.840 0.027 0.000 0.887 2327 L CB 0.499 42.572 42.059 0.023 0.000 1.168 2327 L HN 0.053 nan 8.230 nan 0.000 0.502 2328 L N 0.417 121.655 121.223 0.025 0.000 2.367 2328 L HA 0.113 4.444 4.340 -0.016 0.000 0.275 2328 L C 1.387 178.273 176.870 0.027 0.000 1.129 2328 L CA -0.054 54.800 54.840 0.024 0.000 0.839 2328 L CB 1.545 43.617 42.059 0.021 0.000 1.133 2328 L HN 0.152 nan 8.230 nan 0.000 0.453 2329 S N 0.682 116.399 115.700 0.028 0.000 2.486 2329 S HA 0.070 4.530 4.470 -0.016 0.000 0.220 2329 S C 0.754 175.375 174.600 0.035 0.000 1.011 2329 S CA -0.116 58.105 58.200 0.036 0.000 0.921 2329 S CB 0.138 63.364 63.200 0.043 0.000 0.785 2329 S HN 0.713 nan 8.310 nan 0.000 0.517 2330 N N 2.646 121.362 118.700 0.026 0.000 2.723 2330 N HA 0.324 5.054 4.740 -0.016 0.000 0.290 2330 N C -3.149 172.372 175.510 0.018 0.000 1.882 2330 N CA -0.820 52.245 53.050 0.024 0.000 0.851 2330 N CB 1.415 39.912 38.487 0.016 0.000 1.234 2330 N HN 0.304 nan 8.380 nan 0.000 0.491 2331 P HA 0.154 nan 4.420 nan 0.000 0.272 2331 P C 0.066 177.375 177.300 0.014 0.000 1.230 2331 P CA -0.028 63.082 63.100 0.017 0.000 0.788 2331 P CB 1.023 32.734 31.700 0.019 0.000 0.949 2332 N N -0.290 118.417 118.700 0.011 0.000 3.470 2332 N HA 0.575 5.306 4.740 -0.016 0.000 0.361 2332 N C -0.945 174.569 175.510 0.008 0.000 1.536 2332 N CA -0.466 52.589 53.050 0.008 0.000 0.642 2332 N CB 0.988 39.478 38.487 0.005 0.000 2.002 2332 N HN 0.464 nan 8.380 nan 0.000 0.620 3002 I N 1.522 122.092 120.570 0.000 0.000 2.406 3002 I HA -0.051 4.110 4.170 -0.016 0.000 0.249 3002 I C 1.918 178.035 176.117 -0.000 0.000 1.122 3002 I CA 1.664 62.964 61.300 0.000 0.000 1.431 3002 I CB -0.117 37.883 38.000 -0.000 0.000 1.087 3002 I HN 0.481 nan 8.210 nan 0.000 0.424 3003 D N 0.454 120.853 120.400 -0.001 0.000 2.354 3003 D HA -0.091 4.540 4.640 -0.016 0.000 0.209 3003 D C 1.576 177.875 176.300 -0.002 0.000 1.015 3003 D CA 0.533 54.531 54.000 -0.002 0.000 0.867 3003 D CB -0.191 40.607 40.800 -0.004 0.000 0.933 3003 D HN 0.355 nan 8.370 nan 0.000 0.520 3004 E N -0.064 120.135 120.200 -0.001 0.000 2.299 3004 E HA 0.033 4.373 4.350 -0.016 0.000 0.193 3004 E C 1.473 178.074 176.600 0.001 0.000 0.998 3004 E CA 0.133 56.533 56.400 -0.000 0.000 0.851 3004 E CB 0.130 29.830 29.700 -0.000 0.000 0.795 3004 E HN 0.146 nan 8.360 nan 0.000 0.492 3005 N N 0.875 119.576 118.700 0.001 0.000 2.300 3005 N HA -0.077 4.654 4.740 -0.016 0.000 0.179 3005 N C 1.371 176.882 175.510 0.002 0.000 1.016 3005 N CA 0.807 53.858 53.050 0.002 0.000 0.876 3005 N CB 0.091 38.579 38.487 0.003 0.000 0.979 3005 N HN 0.109 nan 8.380 nan 0.000 0.432 3006 K N 1.070 121.470 120.400 0.001 0.000 2.002 3006 K HA -0.092 4.218 4.320 -0.016 0.000 0.209 3006 K C 2.028 178.628 176.600 0.001 0.000 1.048 3006 K CA 1.155 57.442 56.287 0.000 0.000 0.930 3006 K CB -0.085 32.414 32.500 -0.001 0.000 0.714 3006 K HN 0.257 nan 8.250 nan 0.000 0.438 3007 Q N 0.588 120.388 119.800 0.000 0.000 2.119 3007 Q HA -0.154 4.177 4.340 -0.016 0.000 0.201 3007 Q C 2.162 178.163 176.000 0.002 0.000 0.972 3007 Q CA 1.149 56.953 55.803 0.001 0.000 0.847 3007 Q CB 0.007 28.744 28.738 -0.000 0.000 0.903 3007 Q HN 0.208 nan 8.270 nan 0.000 0.433 3008 K N 0.775 121.176 120.400 0.002 0.000 2.009 3008 K HA -0.164 4.146 4.320 -0.016 0.000 0.210 3008 K C 1.962 178.564 176.600 0.004 0.000 1.049 3008 K CA 1.436 57.725 56.287 0.003 0.000 0.929 3008 K CB -0.158 32.343 32.500 0.002 0.000 0.714 3008 K HN 0.152 nan 8.250 nan 0.000 0.440 3009 A N 1.365 124.187 122.820 0.004 0.000 1.969 3009 A HA -0.099 4.211 4.320 -0.016 0.000 0.218 3009 A C 2.064 179.652 177.584 0.006 0.000 1.169 3009 A CA 1.015 53.055 52.037 0.005 0.000 0.635 3009 A CB -0.452 18.551 19.000 0.005 0.000 0.810 3009 A HN 0.393 nan 8.150 nan 0.000 0.445 3010 L N -0.101 121.124 121.223 0.005 0.000 1.994 3010 L HA -0.048 4.283 4.340 -0.016 0.000 0.208 3010 L C 2.721 179.596 176.870 0.009 0.000 1.071 3010 L CA 2.272 57.116 54.840 0.006 0.000 0.745 3010 L CB -0.863 41.198 42.059 0.004 0.000 0.892 3010 L HN 0.324 nan 8.230 nan 0.000 0.431 3011 A N -0.467 122.357 122.820 0.007 0.000 1.917 3011 A HA -0.192 4.118 4.320 -0.016 0.000 0.219 3011 A C 2.435 180.025 177.584 0.009 0.000 1.182 3011 A CA 2.175 54.217 52.037 0.008 0.000 0.633 3011 A CB -1.280 17.723 19.000 0.006 0.000 0.819 3011 A HN 0.620 nan 8.150 nan 0.000 0.448 3012 A N -0.276 122.549 122.820 0.008 0.000 1.877 3012 A HA 0.169 4.480 4.320 -0.016 0.000 0.216 3012 A C 2.536 180.126 177.584 0.011 0.000 1.186 3012 A CA 2.173 54.215 52.037 0.007 0.000 0.620 3012 A CB -1.078 17.925 19.000 0.006 0.000 0.822 3012 A HN 1.102 nan 8.150 nan 0.000 0.443 3013 A N -0.790 122.039 122.820 0.014 0.000 1.902 3013 A HA 0.007 4.317 4.320 -0.016 0.000 0.217 3013 A C 2.046 179.648 177.584 0.031 0.000 1.181 3013 A CA 1.680 53.730 52.037 0.022 0.000 0.623 3013 A CB -0.554 18.459 19.000 0.021 0.000 0.818 3013 A HN 0.390 nan 8.150 nan 0.000 0.443 3014 L N -0.065 121.174 121.223 0.027 0.000 2.017 3014 L HA -0.084 4.247 4.340 -0.016 0.000 0.208 3014 L C 2.765 179.656 176.870 0.034 0.000 1.073 3014 L CA 2.027 56.886 54.840 0.033 0.000 0.745 3014 L CB -1.251 40.822 42.059 0.024 0.000 0.894 3014 L HN 0.398 nan 8.230 nan 0.000 0.432 3015 G N -1.739 107.074 108.800 0.021 0.000 2.442 3015 G HA2 -0.359 3.592 3.960 -0.016 0.000 0.219 3015 G HA3 -0.359 3.592 3.960 -0.016 0.000 0.219 3015 G C 1.573 176.479 174.900 0.010 0.000 1.141 3015 G CA 0.947 46.056 45.100 0.014 0.000 0.763 3015 G HN 0.392 nan 8.290 nan 0.000 0.554 3016 Q N 0.301 120.107 119.800 0.010 0.000 2.050 3016 Q HA 0.014 4.344 4.340 -0.016 0.000 0.202 3016 Q C 2.438 178.437 176.000 -0.002 0.000 0.980 3016 Q CA 1.231 57.031 55.803 -0.005 0.000 0.840 3016 Q CB -0.364 28.375 28.738 0.002 0.000 0.898 3016 Q HN 0.555 nan 8.270 nan 0.000 0.424 3017 I N 0.439 121.046 120.570 0.063 0.000 2.208 3017 I HA -0.278 3.882 4.170 -0.016 0.000 0.245 3017 I C 2.149 178.361 176.117 0.159 0.000 1.097 3017 I CA 1.538 62.941 61.300 0.173 0.000 1.363 3017 I CB -0.301 37.814 38.000 0.192 0.000 1.051 3017 I HN 0.313 nan 8.210 nan 0.000 0.413 3018 E N 0.520 120.773 120.200 0.088 0.000 2.106 3018 E HA -0.243 4.098 4.350 -0.016 0.000 0.192 3018 E C 2.136 178.747 176.600 0.020 0.000 0.984 3018 E CA 0.883 57.324 56.400 0.069 0.000 0.806 3018 E CB -0.064 29.664 29.700 0.047 0.000 0.750 3018 E HN 0.392 nan 8.360 nan 0.000 0.458 3019 K N 0.928 121.316 120.400 -0.020 0.000 2.057 3019 K HA -0.173 4.137 4.320 -0.016 0.000 0.206 3019 K C 2.170 178.693 176.600 -0.128 0.000 1.050 3019 K CA 1.185 57.438 56.287 -0.056 0.000 0.935 3019 K CB 0.119 32.586 32.500 -0.055 0.000 0.715 3019 K HN 0.063 nan 8.250 nan 0.000 0.439 3020 Q N -1.163 118.490 119.800 -0.244 0.000 2.083 3020 Q HA -0.075 4.256 4.340 -0.016 0.000 0.198 3020 Q C 0.850 176.481 176.000 -0.615 0.000 0.969 3020 Q CA 1.262 56.732 55.803 -0.554 0.000 0.838 3020 Q CB 0.244 28.398 28.738 -0.974 0.000 0.900 3020 Q HN 0.248 nan 8.270 nan 0.000 0.436 3021 F N -1.006 118.949 119.950 0.009 0.000 2.688 3021 F HA 0.391 4.908 4.527 -0.016 0.000 0.310 3021 F C 0.718 176.526 175.800 0.014 0.000 1.098 3021 F CA 0.277 58.284 58.000 0.012 0.000 1.228 3021 F CB 1.106 40.114 39.000 0.013 0.000 1.042 3021 F HN 0.022 nan 8.300 nan 0.000 0.557 3022 G N 0.375 109.245 108.800 0.116 0.000 2.663 3022 G HA2 -0.163 3.787 3.960 -0.016 0.000 0.686 3022 G HA3 -0.163 3.787 3.960 -0.016 0.000 0.686 3022 G C 0.567 175.512 174.900 0.076 0.000 1.288 3022 G CA -0.750 44.399 45.100 0.082 0.000 0.836 3022 G HN -0.099 nan 8.290 nan 0.000 0.584 3023 K N 0.223 120.655 120.400 0.053 0.000 1.974 3023 K HA -0.155 4.156 4.320 -0.016 0.000 0.231 3023 K C 2.435 179.065 176.600 0.050 0.000 1.035 3023 K CA 2.174 58.487 56.287 0.044 0.000 1.044 3023 K CB -0.995 31.525 32.500 0.034 0.000 0.738 3023 K HN 1.227 nan 8.250 nan 0.000 0.447 3024 G N 1.092 109.921 108.800 0.049 0.000 3.332 3024 G HA2 -0.005 3.945 3.960 -0.016 0.000 0.242 3024 G HA3 -0.005 3.945 3.960 -0.016 0.000 0.242 3024 G C 1.155 176.085 174.900 0.050 0.000 1.276 3024 G CA 0.555 45.681 45.100 0.044 0.000 0.988 3024 G HN 0.387 nan 8.290 nan 0.000 0.517 3025 S N -0.552 115.189 115.700 0.068 0.000 2.453 3025 S HA 0.162 4.623 4.470 -0.016 0.000 0.231 3025 S C 0.674 175.300 174.600 0.043 0.000 1.005 3025 S CA 0.148 58.390 58.200 0.069 0.000 0.949 3025 S CB 0.275 63.554 63.200 0.132 0.000 0.774 3025 S HN 0.374 nan 8.310 nan 0.000 0.510 3026 I N 1.079 121.677 120.570 0.047 0.000 2.692 3026 I HA 0.591 4.752 4.170 -0.016 0.000 0.293 3026 I C -1.368 174.767 176.117 0.029 0.000 1.200 3026 I CA -1.224 60.095 61.300 0.032 0.000 1.036 3026 I CB 1.960 39.981 38.000 0.035 0.000 1.258 3026 I HN 0.395 nan 8.210 nan 0.000 0.421 3027 M N 4.103 123.716 119.600 0.022 0.000 2.949 3027 M HA 0.577 5.048 4.480 -0.016 0.000 0.270 3027 M C -1.304 175.004 176.300 0.013 0.000 1.221 3027 M CA -1.075 54.236 55.300 0.018 0.000 0.818 3027 M CB 1.462 34.072 32.600 0.017 0.000 1.635 3027 M HN 0.323 nan 8.290 nan 0.000 0.492 3028 R N 1.145 121.650 120.500 0.008 0.000 2.489 3028 R HA 0.256 4.587 4.340 -0.016 0.000 0.287 3028 R C 0.969 177.268 176.300 -0.002 0.000 1.053 3028 R CA -0.082 56.019 56.100 0.003 0.000 1.036 3028 R CB 0.230 30.530 30.300 -0.000 0.000 0.966 3028 R HN 0.695 nan 8.270 nan 0.000 0.432 3029 L N 2.348 123.565 121.223 -0.010 0.000 2.012 3029 L HA -0.177 4.153 4.340 -0.016 0.000 0.210 3029 L C 1.918 178.777 176.870 -0.019 0.000 1.073 3029 L CA 2.125 56.952 54.840 -0.021 0.000 0.748 3029 L CB -0.543 41.489 42.059 -0.045 0.000 0.891 3029 L HN 1.005 nan 8.230 nan 0.000 0.431 3030 G N -0.189 108.600 108.800 -0.019 0.000 2.485 3030 G HA2 -0.272 3.678 3.960 -0.016 0.000 0.221 3030 G HA3 -0.272 3.678 3.960 -0.016 0.000 0.221 3030 G C 1.126 176.021 174.900 -0.009 0.000 1.115 3030 G CA 0.976 46.066 45.100 -0.016 0.000 0.751 3030 G HN 0.722 nan 8.290 nan 0.000 0.567 3031 E N -0.235 119.962 120.200 -0.005 0.000 2.501 3031 E HA 0.108 4.448 4.350 -0.016 0.000 0.201 3031 E C -0.454 176.148 176.600 0.002 0.000 1.016 3031 E CA -0.424 55.975 56.400 -0.001 0.000 0.920 3031 E CB 0.338 30.038 29.700 0.001 0.000 1.023 3031 E HN 0.130 nan 8.360 nan 0.000 0.474 3032 D N 1.866 122.267 120.400 0.001 0.000 2.393 3032 D HA 0.072 4.702 4.640 -0.016 0.000 0.232 3032 D C 0.773 177.076 176.300 0.006 0.000 1.192 3032 D CA -0.268 53.735 54.000 0.006 0.000 0.882 3032 D CB 0.690 41.493 40.800 0.005 0.000 1.038 3032 D HN -0.085 nan 8.370 nan 0.000 0.499 3033 R N 1.460 121.965 120.500 0.009 0.000 2.115 3033 R HA -0.092 4.239 4.340 -0.016 0.000 0.230 3033 R C 1.885 178.193 176.300 0.013 0.000 1.111 3033 R CA 0.754 56.859 56.100 0.009 0.000 0.976 3033 R CB -0.849 29.457 30.300 0.009 0.000 0.870 3033 R HN 0.467 nan 8.270 nan 0.000 0.445 3034 S N -0.656 115.055 115.700 0.018 0.000 2.603 3034 S HA -0.067 4.393 4.470 -0.016 0.000 0.229 3034 S C 1.690 176.307 174.600 0.028 0.000 0.972 3034 S CA 0.628 58.843 58.200 0.025 0.000 0.935 3034 S CB -0.008 63.212 63.200 0.033 0.000 0.769 3034 S HN 0.122 nan 8.310 nan 0.000 0.536 3035 M N 1.505 121.116 119.600 0.019 0.000 2.414 3035 M HA 0.314 4.785 4.480 -0.016 0.000 0.251 3035 M C -0.730 175.576 176.300 0.010 0.000 1.116 3035 M CA 0.091 55.400 55.300 0.015 0.000 1.056 3035 M CB 0.243 32.844 32.600 0.002 0.000 1.388 3035 M HN 0.021 nan 8.290 nan 0.000 0.487 3036 D N 0.749 121.154 120.400 0.010 0.000 2.414 3036 D HA 0.082 4.712 4.640 -0.016 0.000 0.242 3036 D C -0.438 175.868 176.300 0.010 0.000 1.129 3036 D CA 0.194 54.199 54.000 0.008 0.000 0.885 3036 D CB 1.030 41.834 40.800 0.007 0.000 1.198 3036 D HN -0.108 nan 8.370 nan 0.000 0.437 3037 V N 2.569 122.488 119.914 0.008 0.000 2.461 3037 V HA 0.107 4.217 4.120 -0.016 0.000 0.275 3037 V C 0.594 176.691 176.094 0.004 0.000 1.047 3037 V CA -0.134 62.170 62.300 0.006 0.000 0.955 3037 V CB 0.998 32.822 31.823 0.002 0.000 0.988 3037 V HN 0.427 nan 8.190 nan 0.000 0.471 3038 E N 3.414 123.616 120.200 0.003 0.000 2.212 3038 E HA 0.623 4.963 4.350 -0.016 0.000 0.268 3038 E C -0.613 175.985 176.600 -0.003 0.000 0.902 3038 E CA -0.488 55.912 56.400 0.000 0.000 0.779 3038 E CB 2.113 31.814 29.700 0.001 0.000 1.172 3038 E HN 0.814 nan 8.360 nan 0.000 0.409 3039 T N 0.945 115.496 114.554 -0.006 0.000 2.930 3039 T HA 0.613 4.953 4.350 -0.016 0.000 0.290 3039 T C -0.356 174.335 174.700 -0.014 0.000 1.052 3039 T CA -0.864 61.230 62.100 -0.010 0.000 1.017 3039 T CB 1.119 69.981 68.868 -0.010 0.000 1.137 3039 T HN 0.256 nan 8.240 nan 0.000 0.511 3040 I N 1.717 122.276 120.570 -0.018 0.000 2.569 3040 I HA 0.455 4.615 4.170 -0.016 0.000 0.296 3040 I C 0.737 176.837 176.117 -0.029 0.000 1.028 3040 I CA -0.741 60.544 61.300 -0.026 0.000 1.082 3040 I CB 1.883 39.867 38.000 -0.027 0.000 1.264 3040 I HN 0.965 nan 8.210 nan 0.000 0.429 3041 S N 2.636 118.313 115.700 -0.038 0.000 2.568 3041 S HA 0.083 4.543 4.470 -0.016 0.000 0.282 3041 S C 1.300 175.871 174.600 -0.047 0.000 1.338 3041 S CA 0.378 58.553 58.200 -0.041 0.000 1.045 3041 S CB 0.442 63.603 63.200 -0.065 0.000 0.873 3041 S HN 0.794 nan 8.310 nan 0.000 0.516 3042 T N 0.977 115.506 114.554 -0.042 0.000 3.081 3042 T HA 0.367 4.708 4.350 -0.016 0.000 0.250 3042 T C 1.476 176.126 174.700 -0.083 0.000 1.100 3042 T CA 0.655 62.725 62.100 -0.051 0.000 1.038 3042 T CB -0.295 68.547 68.868 -0.042 0.000 0.962 3042 T HN 1.607 nan 8.240 nan 0.000 0.516 3043 G N 0.848 109.593 108.800 -0.091 0.000 2.217 3043 G HA2 -0.247 3.704 3.960 -0.016 0.000 0.246 3043 G HA3 -0.247 3.704 3.960 -0.016 0.000 0.246 3043 G C 0.222 175.079 174.900 -0.072 0.000 0.990 3043 G CA 0.221 45.249 45.100 -0.120 0.000 0.627 3043 G HN 1.101 nan 8.290 nan 0.000 0.522 3044 S N -0.111 115.509 115.700 -0.134 0.000 2.449 3044 S HA 0.630 5.091 4.470 -0.016 0.000 0.310 3044 S C 1.178 175.745 174.600 -0.055 0.000 1.096 3044 S CA 0.082 58.147 58.200 -0.225 0.000 1.095 3044 S CB 1.537 64.348 63.200 -0.648 0.000 1.007 3044 S HN 1.031 nan 8.310 nan 0.000 0.474 3045 L N 5.772 126.941 121.223 -0.090 0.000 2.056 3045 L HA 0.040 4.370 4.340 -0.016 0.000 0.207 3045 L C 2.519 179.347 176.870 -0.071 0.000 1.078 3045 L CA 2.681 57.454 54.840 -0.112 0.000 0.749 3045 L CB -0.976 40.811 42.059 -0.454 0.000 0.901 3045 L HN 0.897 nan 8.230 nan 0.000 0.433 3046 S N -1.228 114.436 115.700 -0.059 0.000 2.406 3046 S HA -0.159 4.301 4.470 -0.016 0.000 0.228 3046 S C 2.094 176.725 174.600 0.053 0.000 1.020 3046 S CA 1.144 59.354 58.200 0.016 0.000 0.965 3046 S CB -0.899 62.342 63.200 0.069 0.000 0.798 3046 S HN 0.495 nan 8.310 nan 0.000 0.488 3047 L N 1.454 122.711 121.223 0.058 0.000 2.027 3047 L HA -0.113 4.217 4.340 -0.016 0.000 0.206 3047 L C 2.021 178.905 176.870 0.024 0.000 1.074 3047 L CA 2.024 56.902 54.840 0.063 0.000 0.745 3047 L CB -0.687 41.406 42.059 0.056 0.000 0.898 3047 L HN 0.244 nan 8.230 nan 0.000 0.433 3048 D N 0.134 120.539 120.400 0.008 0.000 2.158 3048 D HA -0.222 4.409 4.640 -0.016 0.000 0.197 3048 D C 2.115 178.421 176.300 0.010 0.000 0.995 3048 D CA 1.411 55.416 54.000 0.009 0.000 0.846 3048 D CB -0.114 40.698 40.800 0.020 0.000 0.941 3048 D HN 0.379 nan 8.370 nan 0.000 0.456 3049 I N 0.704 121.281 120.570 0.012 0.000 2.286 3049 I HA -0.190 3.970 4.170 -0.016 0.000 0.245 3049 I C 2.425 178.552 176.117 0.017 0.000 1.104 3049 I CA 0.864 62.172 61.300 0.014 0.000 1.397 3049 I CB -0.146 37.862 38.000 0.013 0.000 1.072 3049 I HN -0.079 nan 8.210 nan 0.000 0.417 3050 A N 0.754 123.587 122.820 0.023 0.000 1.933 3050 A HA -0.156 4.155 4.320 -0.016 0.000 0.218 3050 A C 2.217 179.800 177.584 -0.001 0.000 1.175 3050 A CA 1.396 53.446 52.037 0.021 0.000 0.628 3050 A CB -0.895 18.126 19.000 0.035 0.000 0.814 3050 A HN 0.409 nan 8.150 nan 0.000 0.444 3051 L N -1.323 119.895 121.223 -0.008 0.000 2.549 3051 L HA 0.033 4.363 4.340 -0.016 0.000 0.229 3051 L C 2.142 178.992 176.870 -0.033 0.000 1.158 3051 L CA 0.645 55.468 54.840 -0.029 0.000 0.842 3051 L CB -0.394 41.651 42.059 -0.023 0.000 0.952 3051 L HN 0.642 nan 8.230 nan 0.000 0.452 3052 G N -0.225 108.567 108.800 -0.014 0.000 2.609 3052 G HA2 -0.438 3.512 3.960 -0.016 0.000 0.235 3052 G HA3 -0.438 3.512 3.960 -0.016 0.000 0.235 3052 G C 1.069 175.967 174.900 -0.004 0.000 1.177 3052 G CA 0.524 45.619 45.100 -0.008 0.000 0.707 3052 G HN 0.470 nan 8.290 nan 0.000 0.513 3053 A N 0.281 123.093 122.820 -0.013 0.000 2.275 3053 A HA 0.579 4.890 4.320 -0.016 0.000 0.212 3053 A C 2.497 180.080 177.584 -0.002 0.000 1.201 3053 A CA 1.860 53.892 52.037 -0.007 0.000 0.843 3053 A CB -0.400 18.590 19.000 -0.016 0.000 0.873 3053 A HN 2.593 nan 8.150 nan 0.000 0.492 3054 G N -2.894 105.905 108.800 -0.001 0.000 2.176 3054 G HA2 0.300 4.250 3.960 -0.016 0.000 0.232 3054 G HA3 0.300 4.250 3.960 -0.016 0.000 0.232 3054 G C 0.885 175.785 174.900 0.000 0.000 0.986 3054 G CA 0.314 45.416 45.100 0.005 0.000 0.643 3054 G HN 2.140 nan 8.290 nan 0.000 0.522 3055 G N -1.409 107.387 108.800 -0.007 0.000 2.333 3055 G HA2 0.507 4.458 3.960 -0.016 0.000 0.288 3055 G HA3 0.507 4.458 3.960 -0.016 0.000 0.288 3055 G C -0.855 174.036 174.900 -0.016 0.000 1.286 3055 G CA -0.464 44.630 45.100 -0.011 0.000 0.865 3055 G HN 0.872 nan 8.290 nan 0.000 0.506 3056 L N 2.011 123.224 121.223 -0.016 0.000 2.371 3056 L HA 0.433 4.763 4.340 -0.016 0.000 0.272 3056 L C -1.816 175.045 176.870 -0.014 0.000 1.124 3056 L CA -1.657 53.173 54.840 -0.016 0.000 0.816 3056 L CB 1.481 43.531 42.059 -0.015 0.000 1.129 3056 L HN 0.307 nan 8.230 nan 0.000 0.448 3057 P HA 0.170 nan 4.420 nan 0.000 0.286 3057 P C -0.727 176.571 177.300 -0.002 0.000 1.269 3057 P CA -0.560 62.536 63.100 -0.006 0.000 0.787 3057 P CB 0.982 32.679 31.700 -0.005 0.000 0.920 3058 M N 1.941 121.540 119.600 -0.002 0.000 2.248 3058 M HA 0.213 4.683 4.480 -0.016 0.000 0.337 3058 M C 1.591 177.896 176.300 0.008 0.000 1.121 3058 M CA 0.828 56.127 55.300 -0.002 0.000 1.155 3058 M CB -0.755 31.844 32.600 -0.003 0.000 1.514 3058 M HN 0.830 nan 8.290 nan 0.000 0.452 3059 G N 2.368 111.171 108.800 0.006 0.000 2.153 3059 G HA2 -0.209 3.741 3.960 -0.016 0.000 0.252 3059 G HA3 -0.209 3.741 3.960 -0.016 0.000 0.252 3059 G C 0.163 175.081 174.900 0.031 0.000 0.994 3059 G CA 0.015 45.124 45.100 0.016 0.000 0.698 3059 G HN 0.551 nan 8.290 nan 0.000 0.521 3060 R N -1.037 119.480 120.500 0.028 0.000 2.930 3060 R HA 0.762 5.093 4.340 -0.016 0.000 0.257 3060 R C 0.052 176.382 176.300 0.051 0.000 1.107 3060 R CA -1.118 55.013 56.100 0.051 0.000 0.999 3060 R CB 0.823 31.150 30.300 0.045 0.000 1.209 3060 R HN 0.197 nan 8.270 nan 0.000 0.486 3061 I N 0.696 121.323 120.570 0.094 0.000 2.392 3061 I HA 0.405 4.566 4.170 -0.016 0.000 0.295 3061 I C -0.282 175.906 176.117 0.119 0.000 0.985 3061 I CA -0.913 60.464 61.300 0.127 0.000 1.221 3061 I CB 1.870 40.005 38.000 0.225 0.000 1.366 3061 I HN -0.040 nan 8.210 nan 0.000 0.467 3062 V N 5.240 125.221 119.914 0.111 0.000 2.735 3062 V HA 0.379 4.489 4.120 -0.016 0.000 0.310 3062 V C -0.452 175.732 176.094 0.150 0.000 1.061 3062 V CA -0.642 61.714 62.300 0.093 0.000 0.913 3062 V CB 2.134 33.979 31.823 0.037 0.000 1.005 3062 V HN 0.734 nan 8.190 nan 0.000 0.428 3063 E N 3.730 124.016 120.200 0.145 0.000 2.199 3063 E HA 0.670 5.011 4.350 -0.016 0.000 0.269 3063 E C -1.596 175.090 176.600 0.143 0.000 0.899 3063 E CA -0.627 55.882 56.400 0.181 0.000 0.772 3063 E CB 1.793 31.606 29.700 0.188 0.000 1.155 3063 E HN 0.621 nan 8.360 nan 0.000 0.408 3064 I N 5.136 125.790 120.570 0.140 0.000 2.436 3064 I HA 0.352 4.512 4.170 -0.016 0.000 0.289 3064 I C -1.025 175.178 176.117 0.144 0.000 1.010 3064 I CA -0.968 60.377 61.300 0.076 0.000 1.098 3064 I CB 0.991 39.024 38.000 0.055 0.000 1.266 3064 I HN 0.494 nan 8.210 nan 0.000 0.434 3065 Y N 3.975 124.305 120.300 0.049 0.000 2.581 3065 Y HA 0.995 5.536 4.550 -0.015 0.000 0.345 3065 Y C -0.268 175.676 175.900 0.073 0.000 1.036 3065 Y CA -1.112 57.014 58.100 0.043 0.000 1.042 3065 Y CB 1.976 40.444 38.460 0.014 0.000 1.289 3065 Y HN 0.697 nan 8.280 nan 0.000 0.471 3066 G N 0.793 109.769 108.800 0.295 0.000 2.316 3066 G HA2 0.448 4.398 3.960 -0.016 0.000 0.296 3066 G HA3 0.448 4.398 3.960 -0.016 0.000 0.296 3066 G C -3.549 171.567 174.900 0.362 0.000 1.399 3066 G CA -1.302 43.942 45.100 0.240 0.000 0.833 3066 G HN 0.504 nan 8.290 nan 0.000 0.565 3067 P HA 0.296 nan 4.420 nan 0.000 0.272 3067 P C -0.291 177.064 177.300 0.092 0.000 1.254 3067 P CA -0.283 62.956 63.100 0.231 0.000 0.795 3067 P CB 0.243 31.983 31.700 0.066 0.000 1.022 3068 E N -0.669 119.224 120.200 -0.511 0.000 2.413 3068 E HA 0.194 4.535 4.350 -0.016 0.000 0.263 3068 E C 0.097 176.623 176.600 -0.123 0.000 1.015 3068 E CA -0.107 56.014 56.400 -0.466 0.000 0.916 3068 E CB -0.620 28.631 29.700 -0.747 0.000 0.947 3068 E HN 0.270 nan 8.360 nan 0.000 0.440 3069 S N 0.602 116.287 115.700 -0.025 0.000 3.587 3069 S HA -0.221 4.239 4.470 -0.016 0.000 0.337 3069 S C 0.937 175.577 174.600 0.066 0.000 1.119 3069 S CA 0.987 59.192 58.200 0.009 0.000 0.976 3069 S CB -1.800 61.378 63.200 -0.038 0.000 0.922 3069 S HN 0.729 nan 8.310 nan 0.000 0.503 3070 S N -0.256 115.496 115.700 0.087 0.000 2.528 3070 S HA 0.442 4.903 4.470 -0.016 0.000 0.219 3070 S C 1.505 176.175 174.600 0.116 0.000 0.985 3070 S CA 0.754 59.011 58.200 0.094 0.000 0.914 3070 S CB 0.544 63.797 63.200 0.090 0.000 0.776 3070 S HN 1.978 nan 8.310 nan 0.000 0.526 3071 G N 1.310 110.192 108.800 0.137 0.000 2.145 3071 G HA2 -0.182 3.769 3.960 -0.016 0.000 0.145 3071 G HA3 -0.182 3.769 3.960 -0.016 0.000 0.145 3071 G C 0.588 175.587 174.900 0.166 0.000 1.017 3071 G CA 0.105 45.308 45.100 0.171 0.000 0.682 3071 G HN 0.438 nan 8.290 nan 0.000 0.504 3072 K N -0.193 120.295 120.400 0.147 0.000 1.985 3072 K HA -0.051 4.259 4.320 -0.016 0.000 0.210 3072 K C 2.567 179.258 176.600 0.151 0.000 1.047 3072 K CA 1.911 58.281 56.287 0.137 0.000 0.932 3072 K CB -0.376 32.203 32.500 0.131 0.000 0.716 3072 K HN 0.274 nan 8.250 nan 0.000 0.439 3073 T N 0.968 115.623 114.554 0.169 0.000 2.674 3073 T HA -0.149 4.191 4.350 -0.016 0.000 0.265 3073 T C 2.004 176.821 174.700 0.195 0.000 1.039 3073 T CA 1.921 64.148 62.100 0.211 0.000 1.150 3073 T CB -0.513 68.479 68.868 0.206 0.000 0.864 3073 T HN 0.279 nan 8.240 nan 0.000 0.427 3074 T N 2.658 117.328 114.554 0.194 0.000 2.624 3074 T HA -0.131 4.209 4.350 -0.016 0.000 0.268 3074 T C 1.863 176.643 174.700 0.134 0.000 1.041 3074 T CA 1.195 63.410 62.100 0.192 0.000 1.159 3074 T CB -0.648 68.367 68.868 0.244 0.000 0.863 3074 T HN 0.197 nan 8.240 nan 0.000 0.434 3075 L N 0.329 121.637 121.223 0.141 0.000 1.989 3075 L HA -0.203 4.128 4.340 -0.016 0.000 0.211 3075 L C 2.709 179.621 176.870 0.070 0.000 1.071 3075 L CA 1.838 56.737 54.840 0.098 0.000 0.749 3075 L CB -0.905 41.228 42.059 0.124 0.000 0.890 3075 L HN 0.333 nan 8.230 nan 0.000 0.431 3076 T N 0.444 115.060 114.554 0.103 0.000 2.665 3076 T HA -0.242 4.099 4.350 -0.016 0.000 0.268 3076 T C 1.895 176.665 174.700 0.117 0.000 1.035 3076 T CA 1.726 63.894 62.100 0.112 0.000 1.151 3076 T CB -0.251 68.718 68.868 0.167 0.000 0.862 3076 T HN 0.279 nan 8.240 nan 0.000 0.438 3077 L N 0.698 121.991 121.223 0.115 0.000 2.141 3077 L HA -0.089 4.241 4.340 -0.016 0.000 0.209 3077 L C 2.973 179.841 176.870 -0.003 0.000 1.094 3077 L CA 0.961 55.830 54.840 0.049 0.000 0.763 3077 L CB -0.497 41.561 42.059 -0.002 0.000 0.908 3077 L HN 0.235 nan 8.230 nan 0.000 0.437 3078 Q N -0.395 119.400 119.800 -0.009 0.000 2.119 3078 Q HA -0.177 4.153 4.340 -0.016 0.000 0.201 3078 Q C 2.440 178.408 176.000 -0.054 0.000 0.972 3078 Q CA 1.840 57.614 55.803 -0.049 0.000 0.847 3078 Q CB -0.580 28.122 28.738 -0.060 0.000 0.903 3078 Q HN 0.548 nan 8.270 nan 0.000 0.433 3079 V N -0.150 119.747 119.914 -0.027 0.000 2.358 3079 V HA -0.205 3.905 4.120 -0.016 0.000 0.246 3079 V C 2.107 178.184 176.094 -0.028 0.000 1.047 3079 V CA 1.190 63.471 62.300 -0.032 0.000 1.035 3079 V CB -0.494 31.317 31.823 -0.020 0.000 0.658 3079 V HN 0.227 nan 8.190 nan 0.000 0.452 3080 I N 1.131 121.700 120.570 -0.003 0.000 2.151 3080 I HA -0.240 3.921 4.170 -0.016 0.000 0.243 3080 I C 2.953 179.052 176.117 -0.030 0.000 1.080 3080 I CA 1.964 63.263 61.300 -0.001 0.000 1.339 3080 I CB -0.797 37.226 38.000 0.039 0.000 1.039 3080 I HN 0.448 nan 8.210 nan 0.000 0.409 3081 A N 0.625 123.417 122.820 -0.047 0.000 1.883 3081 A HA -0.213 4.097 4.320 -0.016 0.000 0.217 3081 A C 2.535 180.071 177.584 -0.080 0.000 1.186 3081 A CA 2.060 54.056 52.037 -0.068 0.000 0.624 3081 A CB -0.954 17.995 19.000 -0.085 0.000 0.822 3081 A HN 0.459 nan 8.150 nan 0.000 0.444 3082 A N -0.290 122.475 122.820 -0.092 0.000 1.902 3082 A HA 0.161 4.471 4.320 -0.016 0.000 0.217 3082 A C 2.500 180.035 177.584 -0.082 0.000 1.181 3082 A CA 2.125 54.096 52.037 -0.110 0.000 0.623 3082 A CB -0.981 17.944 19.000 -0.126 0.000 0.818 3082 A HN 1.067 nan 8.150 nan 0.000 0.443 3083 A N -0.724 122.059 122.820 -0.061 0.000 1.902 3083 A HA -0.204 4.107 4.320 -0.016 0.000 0.217 3083 A C 2.129 179.687 177.584 -0.043 0.000 1.181 3083 A CA 1.618 53.627 52.037 -0.047 0.000 0.623 3083 A CB -0.576 18.403 19.000 -0.035 0.000 0.818 3083 A HN 0.642 nan 8.150 nan 0.000 0.443 3084 Q N -1.211 118.563 119.800 -0.043 0.000 2.124 3084 Q HA -0.170 4.161 4.340 -0.016 0.000 0.202 3084 Q C 2.285 178.258 176.000 -0.045 0.000 0.977 3084 Q CA 1.475 57.255 55.803 -0.039 0.000 0.850 3084 Q CB -0.151 28.564 28.738 -0.038 0.000 0.901 3084 Q HN 0.564 nan 8.270 nan 0.000 0.429 3085 R N 1.117 121.583 120.500 -0.057 0.000 2.200 3085 R HA -0.130 4.201 4.340 -0.016 0.000 0.234 3085 R C 0.824 177.091 176.300 -0.055 0.000 1.127 3085 R CA 1.138 57.200 56.100 -0.063 0.000 0.989 3085 R CB 0.187 30.436 30.300 -0.085 0.000 0.869 3085 R HN 0.267 nan 8.270 nan 0.000 0.459 3086 E N -1.619 118.550 120.200 -0.051 0.000 2.451 3086 E HA 0.168 4.509 4.350 -0.016 0.000 0.194 3086 E C 0.426 177.007 176.600 -0.032 0.000 1.027 3086 E CA 0.343 56.718 56.400 -0.042 0.000 0.914 3086 E CB 0.923 30.597 29.700 -0.043 0.000 1.054 3086 E HN 0.485 nan 8.360 nan 0.000 0.461 3087 G N 2.183 110.965 108.800 -0.031 0.000 2.159 3087 G HA2 -0.307 3.644 3.960 -0.016 0.000 0.256 3087 G HA3 -0.307 3.644 3.960 -0.016 0.000 0.256 3087 G C 0.203 175.090 174.900 -0.022 0.000 0.977 3087 G CA 0.122 45.207 45.100 -0.025 0.000 0.652 3087 G HN 0.162 nan 8.290 nan 0.000 0.531 3088 K N 0.376 120.762 120.400 -0.024 0.000 2.126 3088 K HA 0.513 4.824 4.320 -0.016 0.000 0.257 3088 K C 0.065 176.654 176.600 -0.018 0.000 1.007 3088 K CA 0.034 56.309 56.287 -0.021 0.000 0.928 3088 K CB 0.690 33.176 32.500 -0.023 0.000 1.013 3088 K HN 0.098 nan 8.250 nan 0.000 0.473 3089 T N 1.346 115.891 114.554 -0.015 0.000 2.794 3089 T HA 0.327 4.668 4.350 -0.016 0.000 0.280 3089 T C -0.475 174.218 174.700 -0.011 0.000 0.987 3089 T CA -0.542 61.551 62.100 -0.012 0.000 0.993 3089 T CB 0.438 69.300 68.868 -0.010 0.000 0.939 3089 T HN 0.534 nan 8.240 nan 0.000 0.449 3090 C N 2.334 121.631 119.300 -0.004 0.000 2.614 3090 C HA 0.980 5.430 4.460 -0.016 0.000 0.320 3090 C C 0.256 175.257 174.990 0.018 0.000 1.200 3090 C CA -0.892 58.128 59.018 0.004 0.000 1.700 3090 C CB 1.020 28.769 27.740 0.016 0.000 2.275 3090 C HN 1.037 nan 8.230 nan 0.000 0.492 3091 A N 1.132 123.962 122.820 0.017 0.000 2.435 3091 A HA 0.870 5.180 4.320 -0.016 0.000 0.304 3091 A C -1.501 176.119 177.584 0.061 0.000 1.064 3091 A CA -0.261 51.794 52.037 0.031 0.000 0.727 3091 A CB 1.058 20.050 19.000 -0.013 0.000 1.284 3091 A HN 0.821 nan 8.150 nan 0.000 0.415 3092 F N 3.138 123.052 119.950 -0.061 0.000 2.499 3092 F HA 0.559 5.077 4.527 -0.015 0.000 0.333 3092 F C -0.766 174.989 175.800 -0.075 0.000 1.138 3092 F CA -0.831 57.129 58.000 -0.066 0.000 0.945 3092 F CB 1.342 40.312 39.000 -0.050 0.000 1.181 3092 F HN 0.372 nan 8.300 nan 0.000 0.435 3093 I N 4.862 125.227 120.570 -0.342 0.000 2.282 3093 I HA 0.114 4.274 4.170 -0.016 0.000 0.290 3093 I C -0.071 175.925 176.117 -0.201 0.000 1.090 3093 I CA -0.346 60.832 61.300 -0.203 0.000 1.231 3093 I CB 0.422 38.294 38.000 -0.214 0.000 1.434 3093 I HN 0.508 nan 8.210 nan 0.000 0.487 3094 D N 5.356 125.778 120.400 0.038 0.000 2.619 3094 D HA 0.317 4.947 4.640 -0.016 0.000 0.224 3094 D C 1.277 177.513 176.300 -0.106 0.000 1.133 3094 D CA -0.030 54.033 54.000 0.105 0.000 1.017 3094 D CB 0.756 41.669 40.800 0.188 0.000 1.077 3094 D HN 0.590 nan 8.370 nan 0.000 0.503 3095 A N 2.344 125.132 122.820 -0.053 0.000 2.015 3095 A HA -0.113 4.197 4.320 -0.016 0.000 0.219 3095 A C 1.924 179.637 177.584 0.215 0.000 1.163 3095 A CA 0.792 52.847 52.037 0.029 0.000 0.646 3095 A CB -0.209 18.818 19.000 0.046 0.000 0.806 3095 A HN 0.514 nan 8.150 nan 0.000 0.448 3096 E N -1.072 119.218 120.200 0.150 0.000 2.427 3096 E HA -0.071 4.270 4.350 -0.016 0.000 0.196 3096 E C -0.554 176.229 176.600 0.306 0.000 1.028 3096 E CA 0.013 56.529 56.400 0.193 0.000 0.864 3096 E CB -0.152 29.581 29.700 0.054 0.000 0.813 3096 E HN 0.693 nan 8.360 nan 0.000 0.514 3097 H N -1.907 117.229 119.070 0.110 0.000 2.677 3097 H HA -0.205 4.342 4.556 -0.016 0.000 0.321 3097 H C -0.110 175.269 175.328 0.085 0.000 1.171 3097 H CA 0.532 56.638 56.048 0.097 0.000 1.139 3097 H CB -1.308 28.509 29.762 0.092 0.000 1.515 3097 H HN 0.237 nan 8.280 nan 0.000 0.423 3098 A N 0.651 123.555 122.820 0.140 0.000 2.538 3098 A HA 0.249 4.560 4.320 -0.016 0.000 0.276 3098 A C 0.182 177.794 177.584 0.047 0.000 0.908 3098 A CA -0.461 51.632 52.037 0.094 0.000 1.042 3098 A CB 0.661 19.716 19.000 0.090 0.000 1.218 3098 A HN 0.144 nan 8.150 nan 0.000 0.517 3099 L N 1.220 122.458 121.223 0.025 0.000 2.360 3099 L HA 0.471 4.801 4.340 -0.016 0.000 0.276 3099 L C -0.523 176.318 176.870 -0.048 0.000 1.121 3099 L CA 0.099 54.903 54.840 -0.061 0.000 0.845 3099 L CB 0.721 42.668 42.059 -0.186 0.000 1.143 3099 L HN 0.227 nan 8.230 nan 0.000 0.452 3100 D N 7.350 127.731 120.400 -0.032 0.000 2.428 3100 D HA 0.295 4.926 4.640 -0.016 0.000 0.221 3100 D C -1.788 174.516 176.300 0.007 0.000 1.123 3100 D CA -2.227 51.774 54.000 0.002 0.000 0.869 3100 D CB 1.449 42.263 40.800 0.023 0.000 1.032 3100 D HN 0.349 nan 8.370 nan 0.000 0.506 3101 P HA -0.164 nan 4.420 nan 0.000 0.215 3101 P C 1.703 178.993 177.300 -0.017 0.000 1.153 3101 P CA 0.625 63.699 63.100 -0.043 0.000 0.853 3101 P CB 0.527 32.204 31.700 -0.037 0.000 0.788 3102 I N -1.597 118.981 120.570 0.014 0.000 2.208 3102 I HA -0.254 3.906 4.170 -0.016 0.000 0.245 3102 I C 2.677 178.826 176.117 0.054 0.000 1.097 3102 I CA 1.488 62.804 61.300 0.027 0.000 1.363 3102 I CB -1.154 36.868 38.000 0.037 0.000 1.051 3102 I HN -0.138 nan 8.210 nan 0.000 0.413 3103 Y N 1.051 121.325 120.300 -0.043 0.000 2.200 3103 Y HA -0.218 4.324 4.550 -0.014 0.000 0.290 3103 Y C 2.467 178.339 175.900 -0.046 0.000 1.137 3103 Y CA 1.284 59.362 58.100 -0.036 0.000 1.163 3103 Y CB -0.602 37.836 38.460 -0.036 0.000 0.988 3103 Y HN 0.141 nan 8.280 nan 0.000 0.518 3104 A N 0.554 123.337 122.820 -0.063 0.000 1.917 3104 A HA -0.245 4.066 4.320 -0.016 0.000 0.219 3104 A C 2.428 179.910 177.584 -0.169 0.000 1.182 3104 A CA 1.885 53.830 52.037 -0.153 0.000 0.633 3104 A CB -0.775 18.135 19.000 -0.149 0.000 0.819 3104 A HN 0.478 nan 8.150 nan 0.000 0.448 3105 R N -0.157 120.270 120.500 -0.122 0.000 2.081 3105 R HA -0.129 4.202 4.340 -0.016 0.000 0.235 3105 R C 2.067 178.289 176.300 -0.130 0.000 1.131 3105 R CA 1.812 57.850 56.100 -0.103 0.000 0.960 3105 R CB -0.275 29.987 30.300 -0.064 0.000 0.856 3105 R HN 0.561 nan 8.270 nan 0.000 0.436 3106 K N 0.302 120.600 120.400 -0.169 0.000 2.147 3106 K HA -0.092 4.218 4.320 -0.016 0.000 0.205 3106 K C 1.795 178.257 176.600 -0.231 0.000 1.049 3106 K CA 0.991 57.168 56.287 -0.184 0.000 0.936 3106 K CB -0.067 32.315 32.500 -0.198 0.000 0.722 3106 K HN 0.240 nan 8.250 nan 0.000 0.446 3107 L N 0.001 121.031 121.223 -0.322 0.000 2.650 3107 L HA 0.073 4.403 4.340 -0.016 0.000 0.235 3107 L C 1.004 177.781 176.870 -0.155 0.000 1.149 3107 L CA 0.349 55.039 54.840 -0.251 0.000 0.887 3107 L CB -0.326 41.561 42.059 -0.287 0.000 1.021 3107 L HN 0.417 nan 8.230 nan 0.000 0.441 3108 G N -0.062 108.658 108.800 -0.133 0.000 2.141 3108 G HA2 -0.241 3.710 3.960 -0.016 0.000 0.242 3108 G HA3 -0.241 3.710 3.960 -0.016 0.000 0.242 3108 G C 0.196 175.041 174.900 -0.091 0.000 0.982 3108 G CA -0.043 44.997 45.100 -0.100 0.000 0.662 3108 G HN 0.118 nan 8.290 nan 0.000 0.527 3109 V N 1.096 120.951 119.914 -0.099 0.000 2.614 3109 V HA 0.335 4.445 4.120 -0.016 0.000 0.291 3109 V C 0.764 176.816 176.094 -0.069 0.000 1.049 3109 V CA 0.016 62.267 62.300 -0.082 0.000 1.038 3109 V CB 1.657 33.424 31.823 -0.094 0.000 0.980 3109 V HN 0.352 nan 8.190 nan 0.000 0.481 3110 D N 4.531 124.898 120.400 -0.056 0.000 2.455 3110 D HA 0.075 4.705 4.640 -0.016 0.000 0.234 3110 D C 1.115 177.390 176.300 -0.043 0.000 1.224 3110 D CA -0.253 53.720 54.000 -0.045 0.000 0.999 3110 D CB 0.309 41.087 40.800 -0.038 0.000 1.072 3110 D HN 0.290 nan 8.370 nan 0.000 0.514 3111 I N 2.394 122.935 120.570 -0.048 0.000 2.194 3111 I HA -0.260 3.901 4.170 -0.016 0.000 0.246 3111 I C 1.563 177.660 176.117 -0.033 0.000 1.093 3111 I CA 1.171 62.442 61.300 -0.048 0.000 1.355 3111 I CB -0.578 37.394 38.000 -0.047 0.000 1.046 3111 I HN 0.384 nan 8.210 nan 0.000 0.413 3112 D N 0.315 120.699 120.400 -0.027 0.000 2.310 3112 D HA -0.099 4.531 4.640 -0.016 0.000 0.212 3112 D C 1.402 177.693 176.300 -0.016 0.000 0.965 3112 D CA 0.743 54.731 54.000 -0.019 0.000 0.879 3112 D CB -0.120 40.669 40.800 -0.018 0.000 0.921 3112 D HN 0.406 nan 8.370 nan 0.000 0.510 3113 N N -0.050 118.639 118.700 -0.017 0.000 2.171 3113 N HA 0.045 4.776 4.740 -0.016 0.000 0.212 3113 N C 0.093 175.598 175.510 -0.008 0.000 1.184 3113 N CA -0.181 52.862 53.050 -0.012 0.000 0.888 3113 N CB 1.485 39.963 38.487 -0.014 0.000 1.038 3113 N HN 0.167 nan 8.380 nan 0.000 0.517 3114 L N 2.659 123.875 121.223 -0.011 0.000 2.325 3114 L HA 0.296 4.626 4.340 -0.016 0.000 0.284 3114 L C -0.240 176.637 176.870 0.012 0.000 1.089 3114 L CA -0.158 54.682 54.840 0.001 0.000 0.836 3114 L CB 0.260 42.311 42.059 -0.014 0.000 1.184 3114 L HN -0.056 nan 8.230 nan 0.000 0.444 3115 L N 5.241 126.478 121.223 0.023 0.000 2.455 3115 L HA 0.098 4.429 4.340 -0.016 0.000 0.272 3115 L C 0.079 176.981 176.870 0.053 0.000 1.174 3115 L CA 0.175 55.031 54.840 0.027 0.000 0.869 3115 L CB 0.872 42.942 42.059 0.019 0.000 1.130 3115 L HN 0.661 nan 8.230 nan 0.000 0.474 3116 C N 2.935 122.262 119.300 0.044 0.000 2.609 3116 C HA 0.702 5.153 4.460 -0.016 0.000 0.313 3116 C C -0.269 174.744 174.990 0.037 0.000 1.175 3116 C CA -0.346 58.712 59.018 0.067 0.000 1.434 3116 C CB 1.749 29.513 27.740 0.041 0.000 2.005 3116 C HN 0.828 nan 8.230 nan 0.000 0.471 3117 S N 3.565 119.285 115.700 0.033 0.000 2.575 3117 S HA 0.554 5.015 4.470 -0.016 0.000 0.278 3117 S C -1.389 173.177 174.600 -0.056 0.000 1.139 3117 S CA -0.298 57.893 58.200 -0.015 0.000 0.954 3117 S CB 1.427 64.605 63.200 -0.037 0.000 1.054 3117 S HN 0.840 nan 8.310 nan 0.000 0.483 3118 Q N 4.416 124.160 119.800 -0.092 0.000 2.571 3118 Q HA 0.345 4.676 4.340 -0.016 0.000 0.243 3118 Q C -2.378 173.562 176.000 -0.101 0.000 1.055 3118 Q CA -1.896 53.767 55.803 -0.233 0.000 0.815 3118 Q CB 1.440 29.984 28.738 -0.324 0.000 1.151 3118 Q HN 0.509 nan 8.270 nan 0.000 0.519 3119 P HA 0.088 nan 4.420 nan 0.000 0.276 3119 P C -0.300 177.031 177.300 0.051 0.000 1.244 3119 P CA -0.211 62.858 63.100 -0.052 0.000 0.801 3119 P CB 1.404 33.030 31.700 -0.124 0.000 1.006 3120 D N -0.682 119.727 120.400 0.015 0.000 2.162 3120 D HA -0.012 4.619 4.640 -0.016 0.000 0.205 3120 D C 0.997 177.313 176.300 0.027 0.000 0.964 3120 D CA 1.517 55.546 54.000 0.048 0.000 0.847 3120 D CB -0.043 40.781 40.800 0.040 0.000 0.988 3120 D HN 0.531 nan 8.370 nan 0.000 0.480 3121 T N -3.753 110.793 114.554 -0.013 0.000 2.916 3121 T HA 0.548 4.889 4.350 -0.016 0.000 0.292 3121 T C 1.333 176.012 174.700 -0.034 0.000 1.064 3121 T CA -0.393 61.697 62.100 -0.018 0.000 1.011 3121 T CB 1.894 70.750 68.868 -0.019 0.000 1.152 3121 T HN -0.067 nan 8.240 nan 0.000 0.510 3122 G N 0.311 109.097 108.800 -0.023 0.000 2.418 3122 G HA2 -0.122 3.829 3.960 -0.016 0.000 0.217 3122 G HA3 -0.122 3.829 3.960 -0.016 0.000 0.217 3122 G C 1.070 175.948 174.900 -0.037 0.000 1.158 3122 G CA 0.800 45.886 45.100 -0.022 0.000 0.771 3122 G HN 0.815 nan 8.290 nan 0.000 0.545 3123 E N -0.048 120.131 120.200 -0.036 0.000 2.077 3123 E HA -0.130 4.211 4.350 -0.016 0.000 0.193 3123 E C 2.411 178.972 176.600 -0.065 0.000 0.989 3123 E CA 1.254 57.639 56.400 -0.025 0.000 0.800 3123 E CB -0.230 29.471 29.700 0.002 0.000 0.746 3123 E HN 0.632 nan 8.360 nan 0.000 0.452 3124 Q N 0.265 119.980 119.800 -0.142 0.000 2.050 3124 Q HA -0.207 4.123 4.340 -0.016 0.000 0.202 3124 Q C 2.167 177.935 176.000 -0.387 0.000 0.980 3124 Q CA 1.625 57.175 55.803 -0.421 0.000 0.840 3124 Q CB -0.215 28.238 28.738 -0.475 0.000 0.898 3124 Q HN 0.304 nan 8.270 nan 0.000 0.424 3125 A N 0.778 123.470 122.820 -0.214 0.000 1.892 3125 A HA -0.200 4.110 4.320 -0.016 0.000 0.218 3125 A C 2.038 179.559 177.584 -0.107 0.000 1.188 3125 A CA 1.631 53.579 52.037 -0.149 0.000 0.631 3125 A CB -0.765 18.191 19.000 -0.074 0.000 0.822 3125 A HN 0.470 nan 8.150 nan 0.000 0.447 3126 L N -1.185 120.003 121.223 -0.059 0.000 2.179 3126 L HA -0.066 4.265 4.340 -0.016 0.000 0.208 3126 L C 2.544 179.405 176.870 -0.014 0.000 1.096 3126 L CA 0.791 55.626 54.840 -0.009 0.000 0.779 3126 L CB -0.415 41.656 42.059 0.020 0.000 0.922 3126 L HN 0.271 nan 8.230 nan 0.000 0.443 3127 E N 0.494 120.679 120.200 -0.025 0.000 2.150 3127 E HA -0.153 4.187 4.350 -0.016 0.000 0.193 3127 E C 2.272 178.903 176.600 0.052 0.000 0.985 3127 E CA 1.149 57.581 56.400 0.054 0.000 0.814 3127 E CB -0.029 29.784 29.700 0.189 0.000 0.752 3127 E HN 0.504 nan 8.360 nan 0.000 0.466 3128 I N 0.040 120.576 120.570 -0.056 0.000 2.202 3128 I HA -0.309 3.852 4.170 -0.016 0.000 0.242 3128 I C 2.507 178.610 176.117 -0.023 0.000 1.091 3128 I CA 0.603 61.885 61.300 -0.030 0.000 1.368 3128 I CB -0.244 37.685 38.000 -0.119 0.000 1.058 3128 I HN 0.124 nan 8.210 nan 0.000 0.410 3129 C N 0.490 119.759 119.300 -0.051 0.000 2.398 3129 C HA -0.237 4.214 4.460 -0.016 0.000 0.276 3129 C C 2.576 177.548 174.990 -0.030 0.000 1.222 3129 C CA 1.418 60.400 59.018 -0.060 0.000 1.746 3129 C CB -0.992 26.704 27.740 -0.075 0.000 2.039 3129 C HN 0.542 nan 8.230 nan 0.000 0.470 3130 D N 0.310 120.707 120.400 -0.005 0.000 2.097 3130 D HA -0.078 4.552 4.640 -0.016 0.000 0.195 3130 D C 2.204 178.512 176.300 0.013 0.000 0.989 3130 D CA 1.662 55.665 54.000 0.005 0.000 0.827 3130 D CB -0.236 40.576 40.800 0.020 0.000 0.966 3130 D HN 0.407 nan 8.370 nan 0.000 0.456 3131 A N 0.012 122.852 122.820 0.034 0.000 1.902 3131 A HA -0.109 4.201 4.320 -0.016 0.000 0.217 3131 A C 2.419 180.016 177.584 0.022 0.000 1.181 3131 A CA 1.069 53.131 52.037 0.042 0.000 0.623 3131 A CB -0.767 18.282 19.000 0.082 0.000 0.818 3131 A HN 0.341 nan 8.150 nan 0.000 0.443 3132 L N -0.972 120.256 121.223 0.009 0.000 2.056 3132 L HA -0.148 4.182 4.340 -0.016 0.000 0.207 3132 L C 3.130 179.993 176.870 -0.013 0.000 1.078 3132 L CA 0.921 55.759 54.840 -0.004 0.000 0.749 3132 L CB -0.636 41.412 42.059 -0.019 0.000 0.901 3132 L HN 0.437 nan 8.230 nan 0.000 0.433 3133 A N 0.322 123.130 122.820 -0.020 0.000 1.865 3133 A HA -0.241 4.069 4.320 -0.016 0.000 0.217 3133 A C 2.380 179.956 177.584 -0.013 0.000 1.191 3133 A CA 1.719 53.742 52.037 -0.023 0.000 0.623 3133 A CB -0.596 18.386 19.000 -0.030 0.000 0.826 3133 A HN 0.305 nan 8.150 nan 0.000 0.444 3134 R N 0.059 120.556 120.500 -0.006 0.000 2.152 3134 R HA -0.118 4.213 4.340 -0.016 0.000 0.232 3134 R C 2.544 178.846 176.300 0.003 0.000 1.117 3134 R CA 1.477 57.577 56.100 -0.001 0.000 0.981 3134 R CB -0.364 29.939 30.300 0.005 0.000 0.870 3134 R HN 0.770 nan 8.270 nan 0.000 0.451 3135 S N -0.703 114.999 115.700 0.003 0.000 2.402 3135 S HA -0.047 4.414 4.470 -0.016 0.000 0.229 3135 S C 1.636 176.237 174.600 0.002 0.000 1.021 3135 S CA 0.973 59.175 58.200 0.004 0.000 0.974 3135 S CB -0.046 63.157 63.200 0.005 0.000 0.800 3135 S HN 0.499 nan 8.310 nan 0.000 0.484 3136 G N 0.590 109.389 108.800 -0.001 0.000 2.155 3136 G HA2 -0.175 3.776 3.960 -0.016 0.000 0.257 3136 G HA3 -0.175 3.776 3.960 -0.016 0.000 0.257 3136 G C 0.664 175.562 174.900 -0.003 0.000 0.983 3136 G CA 0.226 45.325 45.100 -0.002 0.000 0.676 3136 G HN 1.448 nan 8.290 nan 0.000 0.528 3137 A N -1.134 121.684 122.820 -0.004 0.000 2.343 3137 A HA 0.703 5.014 4.320 -0.016 0.000 0.223 3137 A C 0.793 178.373 177.584 -0.007 0.000 1.214 3137 A CA 1.046 53.081 52.037 -0.004 0.000 0.900 3137 A CB 0.740 19.739 19.000 -0.001 0.000 0.942 3137 A HN 0.971 nan 8.150 nan 0.000 0.507 3138 V N 0.682 120.590 119.914 -0.011 0.000 2.513 3138 V HA 0.262 4.373 4.120 -0.016 0.000 0.299 3138 V C 0.067 176.149 176.094 -0.020 0.000 1.035 3138 V CA -0.540 61.751 62.300 -0.016 0.000 0.889 3138 V CB 1.730 33.541 31.823 -0.020 0.000 0.988 3138 V HN 0.382 nan 8.190 nan 0.000 0.440 3139 D N 1.705 122.093 120.400 -0.021 0.000 2.338 3139 D HA 0.090 4.720 4.640 -0.016 0.000 0.224 3139 D C 0.321 176.603 176.300 -0.031 0.000 0.967 3139 D CA 1.203 55.190 54.000 -0.023 0.000 0.896 3139 D CB 1.580 42.368 40.800 -0.020 0.000 1.028 3139 D HN 0.399 nan 8.370 nan 0.000 0.493 3140 V N 0.841 120.734 119.914 -0.034 0.000 2.709 3140 V HA 0.509 4.619 4.120 -0.016 0.000 0.308 3140 V C -1.546 174.511 176.094 -0.062 0.000 1.062 3140 V CA -0.715 61.556 62.300 -0.048 0.000 0.901 3140 V CB 2.151 33.951 31.823 -0.039 0.000 1.003 3140 V HN -0.093 nan 8.190 nan 0.000 0.425 3141 I N 6.570 127.076 120.570 -0.106 0.000 2.465 3141 I HA 0.642 4.803 4.170 -0.016 0.000 0.291 3141 I C -0.559 175.415 176.117 -0.238 0.000 1.014 3141 I CA -1.045 60.162 61.300 -0.154 0.000 1.093 3141 I CB 2.020 39.914 38.000 -0.177 0.000 1.267 3141 I HN 0.632 nan 8.210 nan 0.000 0.431 3142 V N 7.085 126.823 119.914 -0.293 0.000 2.540 3142 V HA 0.576 4.687 4.120 -0.016 0.000 0.302 3142 V C -0.833 174.892 176.094 -0.616 0.000 1.035 3142 V CA -0.363 61.681 62.300 -0.427 0.000 0.873 3142 V CB 2.024 33.647 31.823 -0.333 0.000 0.992 3142 V HN 0.443 nan 8.190 nan 0.000 0.428 3143 V N 5.944 125.535 119.914 -0.538 0.000 2.333 3143 V HA 0.392 4.503 4.120 -0.016 0.000 0.274 3143 V C -0.017 175.894 176.094 -0.305 0.000 1.028 3143 V CA -0.345 61.705 62.300 -0.417 0.000 0.851 3143 V CB 1.181 32.818 31.823 -0.311 0.000 1.000 3143 V HN 0.956 nan 8.190 nan 0.000 0.456 3144 D N 3.692 123.872 120.400 -0.367 0.000 2.393 3144 D HA 0.293 4.924 4.640 -0.016 0.000 0.232 3144 D C 0.005 176.278 176.300 -0.046 0.000 1.192 3144 D CA 0.645 54.540 54.000 -0.175 0.000 0.882 3144 D CB 0.746 41.507 40.800 -0.065 0.000 1.038 3144 D HN 0.633 nan 8.370 nan 0.000 0.499 3145 S N 1.258 116.948 115.700 -0.015 0.000 3.027 3145 S HA -0.164 4.297 4.470 -0.016 0.000 0.809 3145 S C 1.081 175.695 174.600 0.024 0.000 0.729 3145 S CA 0.293 58.483 58.200 -0.016 0.000 1.515 3145 S CB -0.846 62.312 63.200 -0.070 0.000 1.062 3145 S HN 0.491 nan 8.310 nan 0.000 0.682 3146 V N 2.871 122.806 119.914 0.035 0.000 2.626 3146 V HA 0.042 4.153 4.120 -0.016 0.000 0.252 3146 V C 2.220 178.306 176.094 -0.014 0.000 1.067 3146 V CA 2.412 64.717 62.300 0.008 0.000 1.081 3146 V CB -0.878 30.892 31.823 -0.089 0.000 0.686 3146 V HN 1.448 nan 8.190 nan 0.000 0.468 3147 A N 0.413 123.214 122.820 -0.032 0.000 2.019 3147 A HA 0.187 4.497 4.320 -0.016 0.000 0.219 3147 A C 2.316 179.960 177.584 0.100 0.000 1.164 3147 A CA 1.866 53.900 52.037 -0.006 0.000 0.644 3147 A CB -0.771 18.183 19.000 -0.075 0.000 0.805 3147 A HN 1.145 nan 8.150 nan 0.000 0.449 3148 A N -1.380 121.503 122.820 0.104 0.000 2.275 3148 A HA 0.447 4.757 4.320 -0.016 0.000 0.212 3148 A C 0.387 178.040 177.584 0.115 0.000 1.201 3148 A CA -0.116 52.032 52.037 0.186 0.000 0.843 3148 A CB -0.114 19.006 19.000 0.202 0.000 0.873 3148 A HN 0.262 nan 8.150 nan 0.000 0.492 3149 L N 2.427 123.688 121.223 0.063 0.000 2.448 3149 L HA 0.197 4.527 4.340 -0.016 0.000 0.278 3149 L C -0.058 176.821 176.870 0.015 0.000 1.201 3149 L CA 0.716 55.576 54.840 0.034 0.000 1.036 3149 L CB -0.604 41.466 42.059 0.017 0.000 1.325 3149 L HN 0.087 nan 8.230 nan 0.000 0.441 3150 T N 4.839 119.402 114.554 0.016 0.000 2.743 3150 T HA 0.348 4.689 4.350 -0.016 0.000 0.293 3150 T C -2.284 172.395 174.700 -0.036 0.000 0.945 3150 T CA -1.399 60.695 62.100 -0.009 0.000 1.030 3150 T CB 0.984 69.848 68.868 -0.006 0.000 0.912 3150 T HN 0.202 nan 8.240 nan 0.000 0.483 3151 P HA 0.047 nan 4.420 nan 0.000 0.267 3151 P C 1.037 178.277 177.300 -0.101 0.000 1.200 3151 P CA -0.326 62.726 63.100 -0.080 0.000 0.772 3151 P CB 0.718 32.355 31.700 -0.105 0.000 0.855 3152 K N 2.959 123.315 120.400 -0.074 0.000 2.063 3152 K HA -0.229 4.081 4.320 -0.016 0.000 0.208 3152 K C 1.713 178.255 176.600 -0.095 0.000 1.048 3152 K CA 1.983 58.234 56.287 -0.060 0.000 0.928 3152 K CB -0.591 31.893 32.500 -0.028 0.000 0.713 3152 K HN 0.479 nan 8.250 nan 0.000 0.442 3153 A N 1.108 123.845 122.820 -0.139 0.000 1.933 3153 A HA -0.211 4.100 4.320 -0.016 0.000 0.218 3153 A C 1.976 179.345 177.584 -0.357 0.000 1.175 3153 A CA 1.847 53.773 52.037 -0.184 0.000 0.628 3153 A CB -0.453 18.449 19.000 -0.165 0.000 0.814 3153 A HN 0.596 nan 8.150 nan 0.000 0.444 3154 E N -0.345 119.549 120.200 -0.509 0.000 2.046 3154 E HA -0.117 4.224 4.350 -0.016 0.000 0.190 3154 E C 1.818 178.324 176.600 -0.158 0.000 0.982 3154 E CA 0.999 57.074 56.400 -0.542 0.000 0.800 3154 E CB -0.218 29.256 29.700 -0.375 0.000 0.756 3154 E HN 0.604 nan 8.360 nan 0.000 0.449 3155 I N 1.095 121.598 120.570 -0.112 0.000 2.208 3155 I HA -0.275 3.885 4.170 -0.016 0.000 0.245 3155 I C 2.089 178.189 176.117 -0.029 0.000 1.097 3155 I CA 1.492 62.762 61.300 -0.050 0.000 1.363 3155 I CB -0.070 37.907 38.000 -0.038 0.000 1.051 3155 I HN 0.194 nan 8.210 nan 0.000 0.413 3156 E N 0.169 120.348 120.200 -0.034 0.000 2.216 3156 E HA 0.017 4.358 4.350 -0.016 0.000 0.192 3156 E C 1.329 177.938 176.600 0.015 0.000 0.988 3156 E CA 0.372 56.767 56.400 -0.008 0.000 0.834 3156 E CB -0.113 29.581 29.700 -0.009 0.000 0.772 3156 E HN 0.504 nan 8.360 nan 0.000 0.479 3157 G N 1.014 109.833 108.800 0.032 0.000 2.651 3157 G HA2 0.036 3.986 3.960 -0.016 0.000 0.260 3157 G HA3 0.036 3.986 3.960 -0.016 0.000 0.260 3157 G C -0.174 174.779 174.900 0.088 0.000 1.216 3157 G CA -0.501 44.662 45.100 0.106 0.000 0.913 3157 G HN 0.001 nan 8.290 nan 0.000 0.535 3158 E N -1.243 119.007 120.200 0.084 0.000 2.312 3158 E HA 0.225 4.566 4.350 -0.016 0.000 0.259 3158 E C -0.005 176.629 176.600 0.055 0.000 1.122 3158 E CA -0.404 56.026 56.400 0.051 0.000 0.922 3158 E CB 1.544 31.262 29.700 0.029 0.000 1.109 3158 E HN 0.233 nan 8.360 nan 0.000 0.442 3159 I N 1.260 121.849 120.570 0.031 0.000 2.517 3159 I HA 0.070 4.231 4.170 -0.016 0.000 0.285 3159 I C 1.171 177.293 176.117 0.008 0.000 1.106 3159 I CA 0.908 62.221 61.300 0.022 0.000 1.402 3159 I CB 0.365 38.373 38.000 0.013 0.000 1.399 3159 I HN 0.889 nan 8.210 nan 0.000 0.535 3160 G N 4.105 112.904 108.800 -0.003 0.000 2.201 3160 G HA2 -0.199 3.751 3.960 -0.016 0.000 0.212 3160 G HA3 -0.199 3.751 3.960 -0.016 0.000 0.212 3160 G C -0.056 174.808 174.900 -0.060 0.000 0.994 3160 G CA -0.612 44.473 45.100 -0.025 0.000 0.644 3160 G HN 0.553 nan 8.290 nan 0.000 0.508 3161 D N 1.715 122.069 120.400 -0.076 0.000 2.389 3161 D HA 0.478 5.108 4.640 -0.016 0.000 0.247 3161 D C 0.855 176.925 176.300 -0.384 0.000 1.128 3161 D CA 0.840 54.721 54.000 -0.198 0.000 0.884 3161 D CB 1.328 42.031 40.800 -0.162 0.000 1.194 3161 D HN 0.483 nan 8.370 nan 0.000 0.441 3162 S N 2.209 117.674 115.700 -0.391 0.000 2.475 3162 S HA 0.294 4.754 4.470 -0.016 0.000 0.281 3162 S C -0.073 174.227 174.600 -0.500 0.000 1.198 3162 S CA -0.773 57.227 58.200 -0.333 0.000 1.063 3162 S CB 0.877 63.982 63.200 -0.158 0.000 0.972 3162 S HN 0.388 nan 8.310 nan 0.000 0.486 3163 H N 2.584 121.647 119.070 -0.012 0.000 2.429 3163 H HA 0.241 4.788 4.556 -0.016 0.000 0.237 3163 H C -0.277 175.042 175.328 -0.016 0.000 1.378 3163 H CA -0.696 55.344 56.048 -0.013 0.000 1.170 3163 H CB 0.110 29.864 29.762 -0.013 0.000 1.671 3163 H HN 0.478 nan 8.280 nan 0.000 0.541 3164 M N 0.991 120.611 119.600 0.033 0.000 2.501 3164 M HA -0.008 4.463 4.480 -0.016 0.000 0.363 3164 M C 1.260 177.573 176.300 0.021 0.000 1.708 3164 M CA 0.781 56.090 55.300 0.015 0.000 1.078 3164 M CB -0.815 31.780 32.600 -0.009 0.000 2.107 3164 M HN 0.853 nan 8.290 nan 0.000 0.466 3165 G N 3.879 112.689 108.800 0.017 0.000 2.249 3165 G HA2 -0.272 3.678 3.960 -0.016 0.000 0.273 3165 G HA3 -0.272 3.678 3.960 -0.016 0.000 0.273 3165 G C 0.677 175.583 174.900 0.010 0.000 1.036 3165 G CA 0.458 45.562 45.100 0.006 0.000 0.824 3165 G HN 0.681 nan 8.290 nan 0.000 0.504 3166 L N -0.062 121.177 121.223 0.027 0.000 2.109 3166 L HA 0.412 4.743 4.340 -0.016 0.000 0.207 3166 L C 2.951 179.814 176.870 -0.011 0.000 1.086 3166 L CA 2.852 57.701 54.840 0.014 0.000 0.760 3166 L CB -0.491 41.586 42.059 0.029 0.000 0.910 3166 L HN 0.474 nan 8.230 nan 0.000 0.437 3167 A N -0.735 122.077 122.820 -0.013 0.000 1.930 3167 A HA -0.088 4.222 4.320 -0.016 0.000 0.217 3167 A C 2.421 179.982 177.584 -0.038 0.000 1.175 3167 A CA 1.542 53.561 52.037 -0.029 0.000 0.627 3167 A CB -0.960 18.025 19.000 -0.026 0.000 0.815 3167 A HN 0.486 nan 8.150 nan 0.000 0.443 3168 A N 0.799 123.601 122.820 -0.029 0.000 1.877 3168 A HA -0.181 4.130 4.320 -0.016 0.000 0.216 3168 A C 2.255 179.822 177.584 -0.028 0.000 1.186 3168 A CA 1.816 53.834 52.037 -0.031 0.000 0.620 3168 A CB -0.533 18.456 19.000 -0.018 0.000 0.822 3168 A HN 0.699 nan 8.150 nan 0.000 0.443 3169 R N -0.625 119.863 120.500 -0.020 0.000 2.148 3169 R HA 0.000 4.331 4.340 -0.016 0.000 0.227 3169 R C 2.098 178.382 176.300 -0.026 0.000 1.103 3169 R CA 1.574 57.663 56.100 -0.018 0.000 0.983 3169 R CB -0.491 29.803 30.300 -0.011 0.000 0.874 3169 R HN 0.539 nan 8.270 nan 0.000 0.451 3170 M N 0.333 119.913 119.600 -0.033 0.000 2.099 3170 M HA -0.116 4.354 4.480 -0.016 0.000 0.262 3170 M C 1.886 178.151 176.300 -0.058 0.000 1.067 3170 M CA 1.571 56.848 55.300 -0.038 0.000 1.124 3170 M CB 0.020 32.597 32.600 -0.038 0.000 1.353 3170 M HN 0.225 nan 8.290 nan 0.000 0.410 3171 M N -0.466 119.086 119.600 -0.080 0.000 2.108 3171 M HA -0.179 4.292 4.480 -0.016 0.000 0.261 3171 M C 2.435 178.657 176.300 -0.130 0.000 1.066 3171 M CA 1.558 56.781 55.300 -0.130 0.000 1.107 3171 M CB -1.417 31.091 32.600 -0.154 0.000 1.356 3171 M HN 0.390 nan 8.290 nan 0.000 0.406 3172 S N -0.180 115.473 115.700 -0.079 0.000 2.368 3172 S HA -0.200 4.261 4.470 -0.016 0.000 0.225 3172 S C 1.896 176.447 174.600 -0.082 0.000 1.030 3172 S CA 1.475 59.640 58.200 -0.058 0.000 0.999 3172 S CB -0.126 63.067 63.200 -0.011 0.000 0.844 3172 S HN 0.542 nan 8.310 nan 0.000 0.459 3173 Q N 0.065 119.830 119.800 -0.057 0.000 2.079 3173 Q HA -0.047 4.284 4.340 -0.016 0.000 0.200 3173 Q C 2.216 178.172 176.000 -0.072 0.000 0.974 3173 Q CA 1.269 57.048 55.803 -0.040 0.000 0.840 3173 Q CB -0.392 28.344 28.738 -0.003 0.000 0.898 3173 Q HN 0.620 nan 8.270 nan 0.000 0.430 3174 A N 0.951 123.720 122.820 -0.086 0.000 1.883 3174 A HA -0.226 4.084 4.320 -0.016 0.000 0.217 3174 A C 2.059 179.546 177.584 -0.161 0.000 1.186 3174 A CA 1.769 53.755 52.037 -0.085 0.000 0.624 3174 A CB -0.534 18.432 19.000 -0.057 0.000 0.822 3174 A HN 0.403 nan 8.150 nan 0.000 0.444 3175 M N -1.131 118.280 119.600 -0.315 0.000 2.080 3175 M HA -0.132 4.339 4.480 -0.016 0.000 0.260 3175 M C 2.168 178.100 176.300 -0.613 0.000 1.068 3175 M CA 1.789 56.705 55.300 -0.640 0.000 1.109 3175 M CB -1.371 30.461 32.600 -1.279 0.000 1.342 3175 M HN 0.458 nan 8.290 nan 0.000 0.405 3176 R N 0.508 120.755 120.500 -0.421 0.000 2.134 3176 R HA -0.205 4.125 4.340 -0.016 0.000 0.248 3176 R C 2.178 178.434 176.300 -0.073 0.000 1.143 3176 R CA 2.085 58.111 56.100 -0.124 0.000 0.957 3176 R CB -0.040 30.232 30.300 -0.046 0.000 0.867 3176 R HN 0.401 nan 8.270 nan 0.000 0.441 3177 K N -0.520 119.829 120.400 -0.086 0.000 2.098 3177 K HA 0.008 4.318 4.320 -0.016 0.000 0.203 3177 K C 2.069 178.631 176.600 -0.062 0.000 1.051 3177 K CA 0.834 57.090 56.287 -0.052 0.000 0.957 3177 K CB 0.037 32.520 32.500 -0.028 0.000 0.738 3177 K HN 0.137 nan 8.250 nan 0.000 0.447 3178 L N 0.789 121.967 121.223 -0.075 0.000 2.072 3178 L HA -0.111 4.220 4.340 -0.016 0.000 0.205 3178 L C 2.586 179.417 176.870 -0.066 0.000 1.079 3178 L CA 0.897 55.704 54.840 -0.054 0.000 0.752 3178 L CB -0.543 41.505 42.059 -0.019 0.000 0.906 3178 L HN 0.196 nan 8.230 nan 0.000 0.436 3179 A N 0.466 123.246 122.820 -0.066 0.000 1.892 3179 A HA -0.202 4.108 4.320 -0.016 0.000 0.218 3179 A C 2.376 179.822 177.584 -0.229 0.000 1.188 3179 A CA 2.067 54.087 52.037 -0.028 0.000 0.631 3179 A CB -1.362 17.733 19.000 0.159 0.000 0.822 3179 A HN 0.453 nan 8.150 nan 0.000 0.447 3180 G N -0.566 108.010 108.800 -0.374 0.000 2.404 3180 G HA2 -0.266 3.685 3.960 -0.016 0.000 0.215 3180 G HA3 -0.266 3.685 3.960 -0.016 0.000 0.215 3180 G C 1.447 176.172 174.900 -0.292 0.000 1.174 3180 G CA 1.064 45.774 45.100 -0.651 0.000 0.780 3180 G HN 0.712 nan 8.290 nan 0.000 0.537 3181 N N 0.051 118.661 118.700 -0.150 0.000 2.120 3181 N HA -0.030 4.700 4.740 -0.016 0.000 0.188 3181 N C 2.220 177.694 175.510 -0.060 0.000 1.024 3181 N CA 0.634 53.638 53.050 -0.076 0.000 0.852 3181 N CB -0.167 38.292 38.487 -0.048 0.000 1.003 3181 N HN 0.234 nan 8.380 nan 0.000 0.424 3182 L N 0.793 121.977 121.223 -0.064 0.000 2.046 3182 L HA -0.159 4.172 4.340 -0.016 0.000 0.208 3182 L C 2.433 179.290 176.870 -0.021 0.000 1.077 3182 L CA 1.000 55.818 54.840 -0.037 0.000 0.747 3182 L CB -0.286 41.758 42.059 -0.025 0.000 0.896 3182 L HN 0.114 nan 8.230 nan 0.000 0.432 3183 K N 0.620 121.002 120.400 -0.030 0.000 2.025 3183 K HA -0.192 4.118 4.320 -0.016 0.000 0.207 3183 K C 2.031 178.652 176.600 0.034 0.000 1.049 3183 K CA 1.586 57.890 56.287 0.028 0.000 0.933 3183 K CB -0.197 32.365 32.500 0.103 0.000 0.714 3183 K HN 0.206 nan 8.250 nan 0.000 0.438 3184 Q N -0.444 119.365 119.800 0.016 0.000 2.488 3184 Q HA 0.059 4.390 4.340 -0.016 0.000 0.211 3184 Q C 0.723 176.733 176.000 0.016 0.000 0.967 3184 Q CA 1.131 56.952 55.803 0.029 0.000 0.926 3184 Q CB 0.349 29.106 28.738 0.032 0.000 0.992 3184 Q HN 0.268 nan 8.270 nan 0.000 0.506 3185 S N -0.117 115.586 115.700 0.005 0.000 2.559 3185 S HA 0.071 4.531 4.470 -0.016 0.000 0.226 3185 S C 0.223 174.824 174.600 0.001 0.000 1.000 3185 S CA -0.228 57.973 58.200 0.001 0.000 0.948 3185 S CB 0.360 63.555 63.200 -0.007 0.000 0.870 3185 S HN 0.395 nan 8.310 nan 0.000 0.497 3186 N N 2.205 120.908 118.700 0.006 0.000 2.740 3186 N HA -0.139 4.592 4.740 -0.016 0.000 0.248 3186 N C -1.202 174.305 175.510 -0.005 0.000 1.062 3186 N CA 0.848 53.901 53.050 0.006 0.000 0.704 3186 N CB -1.608 36.883 38.487 0.007 0.000 0.968 3186 N HN 0.340 nan 8.380 nan 0.000 0.547 3187 T N 0.774 115.322 114.554 -0.011 0.000 2.767 3187 T HA 0.455 4.796 4.350 -0.016 0.000 0.284 3187 T C 0.208 174.891 174.700 -0.029 0.000 0.973 3187 T CA -0.676 61.410 62.100 -0.024 0.000 0.996 3187 T CB 1.576 70.425 68.868 -0.032 0.000 0.927 3187 T HN 0.275 nan 8.240 nan 0.000 0.456 3188 L N 4.616 125.817 121.223 -0.036 0.000 2.290 3188 L HA 0.548 4.879 4.340 -0.016 0.000 0.284 3188 L C -0.860 175.961 176.870 -0.081 0.000 1.078 3188 L CA -0.335 54.480 54.840 -0.043 0.000 0.815 3188 L CB 0.362 42.399 42.059 -0.036 0.000 1.162 3188 L HN 0.613 nan 8.230 nan 0.000 0.435 3189 L N 6.977 128.142 121.223 -0.098 0.000 2.319 3189 L HA 0.528 4.858 4.340 -0.016 0.000 0.281 3189 L C -0.962 175.774 176.870 -0.224 0.000 1.005 3189 L CA -0.476 54.240 54.840 -0.206 0.000 0.828 3189 L CB 1.217 43.134 42.059 -0.236 0.000 1.227 3189 L HN 0.670 nan 8.230 nan 0.000 0.415 3190 I N 4.513 124.921 120.570 -0.270 0.000 2.321 3190 I HA 0.277 4.437 4.170 -0.016 0.000 0.291 3190 I C -0.824 175.106 176.117 -0.312 0.000 0.998 3190 I CA -0.329 60.858 61.300 -0.188 0.000 1.227 3190 I CB 1.315 39.252 38.000 -0.104 0.000 1.368 3190 I HN 0.388 nan 8.210 nan 0.000 0.466 3191 F N 6.544 126.468 119.950 -0.044 0.000 2.404 3191 F HA 0.476 4.994 4.527 -0.015 0.000 0.354 3191 F C 0.391 176.174 175.800 -0.028 0.000 1.122 3191 F CA -0.428 57.541 58.000 -0.052 0.000 1.080 3191 F CB 1.017 39.997 39.000 -0.032 0.000 1.131 3191 F HN 0.215 nan 8.300 nan 0.000 0.471 3192 I N 3.445 124.092 120.570 0.127 0.000 2.428 3192 I HA 0.219 4.380 4.170 -0.016 0.000 0.289 3192 I C -0.145 176.027 176.117 0.092 0.000 1.019 3192 I CA -0.123 61.234 61.300 0.095 0.000 1.351 3192 I CB 1.180 39.208 38.000 0.047 0.000 1.412 3192 I HN 0.649 nan 8.210 nan 0.000 0.513 3193 N N 3.828 122.580 118.700 0.088 0.000 2.312 3193 N HA 0.405 5.136 4.740 -0.016 0.000 0.296 3193 N C -1.297 174.181 175.510 -0.052 0.000 1.193 3193 N CA -0.689 52.367 53.050 0.011 0.000 0.773 3193 N CB 1.810 40.306 38.487 0.015 0.000 1.435 3193 N HN 0.539 nan 8.380 nan 0.000 0.484 3194 Q N 0.674 120.331 119.800 -0.238 0.000 2.194 3194 Q HA 0.523 4.854 4.340 -0.016 0.000 0.245 3194 Q C -0.727 175.064 176.000 -0.349 0.000 0.993 3194 Q CA -0.710 54.758 55.803 -0.557 0.000 0.930 3194 Q CB 2.095 30.171 28.738 -1.104 0.000 1.238 3194 Q HN 0.467 nan 8.270 nan 0.000 0.486 3195 I N 1.245 121.626 120.570 -0.314 0.000 2.392 3195 I HA 0.396 4.556 4.170 -0.016 0.000 0.295 3195 I C -0.226 175.878 176.117 -0.022 0.000 0.985 3195 I CA -0.699 60.576 61.300 -0.041 0.000 1.221 3195 I CB 0.942 39.053 38.000 0.185 0.000 1.366 3195 I HN 0.336 nan 8.210 nan 0.000 0.467 3196 R N 4.776 125.258 120.500 -0.030 0.000 2.854 3196 R HA 0.596 4.927 4.340 -0.016 0.000 0.271 3196 R C -0.997 175.304 176.300 0.001 0.000 0.994 3196 R CA -1.312 54.788 56.100 0.001 0.000 0.945 3196 R CB 1.710 31.992 30.300 -0.029 0.000 1.194 3196 R HN 0.373 nan 8.270 nan 0.000 0.476 3197 M N 2.037 121.640 119.600 0.006 0.000 2.249 3197 M HA 0.234 4.705 4.480 -0.016 0.000 0.351 3197 M C 0.039 176.324 176.300 -0.026 0.000 1.180 3197 M CA -0.436 54.858 55.300 -0.010 0.000 1.127 3197 M CB 0.735 33.330 32.600 -0.009 0.000 1.546 3197 M HN 0.247 nan 8.290 nan 0.000 0.461 3198 K N 4.068 124.446 120.400 -0.036 0.000 2.253 3198 K HA 0.481 4.792 4.320 -0.016 0.000 0.277 3198 K C -0.797 175.771 176.600 -0.053 0.000 1.053 3198 K CA -0.329 55.936 56.287 -0.038 0.000 0.892 3198 K CB 0.464 32.947 32.500 -0.028 0.000 1.102 3198 K HN 0.608 nan 8.250 nan 0.000 0.469 3199 I N 1.905 122.448 120.570 -0.044 0.000 2.696 3199 I HA 0.039 4.199 4.170 -0.016 0.000 0.284 3199 I C 1.244 177.325 176.117 -0.060 0.000 1.129 3199 I CA 0.904 62.174 61.300 -0.051 0.000 1.410 3199 I CB 0.539 38.518 38.000 -0.035 0.000 1.399 3199 I HN 1.040 nan 8.210 nan 0.000 0.579 3200 G N 4.059 112.810 108.800 -0.082 0.000 2.176 3200 G HA2 -0.201 3.750 3.960 -0.016 0.000 0.252 3200 G HA3 -0.201 3.750 3.960 -0.016 0.000 0.252 3200 G C -0.159 174.626 174.900 -0.191 0.000 1.024 3200 G CA -0.159 44.890 45.100 -0.086 0.000 0.755 3200 G HN 0.441 nan 8.290 nan 0.000 0.507 3201 V N 0.642 120.354 119.914 -0.337 0.000 2.304 3201 V HA 0.557 4.668 4.120 -0.016 0.000 0.278 3201 V C 0.409 176.003 176.094 -0.834 0.000 1.018 3201 V CA -0.315 61.523 62.300 -0.771 0.000 0.814 3201 V CB 1.337 32.931 31.823 -0.382 0.000 1.021 3201 V HN 0.319 nan 8.190 nan 0.000 0.440 3202 M N 6.558 125.450 119.600 -1.180 0.000 2.972 3202 M HA 0.471 4.942 4.480 -0.016 0.000 0.323 3202 M C -0.858 175.193 176.300 -0.414 0.000 1.213 3202 M CA 0.255 55.211 55.300 -0.573 0.000 0.935 3202 M CB -0.210 32.232 32.600 -0.264 0.000 1.289 3202 M HN 0.506 nan 8.290 nan 0.000 0.525 3203 F N -2.135 117.813 119.950 -0.004 0.000 2.730 3203 F HA 0.815 5.332 4.527 -0.016 0.000 0.335 3203 F C 0.550 176.348 175.800 -0.004 0.000 1.212 3203 F CA -1.219 56.778 58.000 -0.004 0.000 1.016 3203 F CB 0.096 39.093 39.000 -0.005 0.000 1.290 3203 F HN 0.325 nan 8.300 nan 0.000 0.495 3204 G N 2.865 111.746 108.800 0.135 0.000 2.536 3204 G HA2 -0.304 3.647 3.960 -0.016 0.000 0.280 3204 G HA3 -0.304 3.647 3.960 -0.016 0.000 0.280 3204 G C -0.800 174.120 174.900 0.033 0.000 1.152 3204 G CA 0.073 45.224 45.100 0.085 0.000 0.970 3204 G HN 1.036 nan 8.290 nan 0.000 0.549 3205 N N 2.305 121.028 118.700 0.037 0.000 2.444 3205 N HA 0.518 5.248 4.740 -0.016 0.000 0.262 3205 N C -1.368 174.136 175.510 -0.009 0.000 0.974 3205 N CA -1.398 51.661 53.050 0.015 0.000 0.933 3205 N CB 1.830 40.337 38.487 0.033 0.000 1.137 3205 N HN 0.313 nan 8.380 nan 0.000 0.498 3206 P HA 0.054 nan 4.420 nan 0.000 0.249 3206 P C -0.560 176.722 177.300 -0.029 0.000 1.229 3206 P CA 0.519 63.585 63.100 -0.056 0.000 0.788 3206 P CB 0.396 32.051 31.700 -0.075 0.000 1.072 3207 E N 0.259 120.452 120.200 -0.010 0.000 2.331 3207 E HA 0.315 4.655 4.350 -0.016 0.000 0.272 3207 E C 0.034 176.605 176.600 -0.047 0.000 1.036 3207 E CA 0.171 56.566 56.400 -0.008 0.000 0.864 3207 E CB 0.859 30.576 29.700 0.029 0.000 1.035 3207 E HN 0.106 nan 8.360 nan 0.000 0.408 3208 T N 0.229 114.739 114.554 -0.074 0.000 2.669 3208 T HA 0.456 4.797 4.350 -0.016 0.000 0.283 3208 T C -0.385 174.203 174.700 -0.187 0.000 1.019 3208 T CA -0.739 61.282 62.100 -0.131 0.000 1.039 3208 T CB 1.756 70.568 68.868 -0.093 0.000 1.374 3208 T HN 0.305 nan 8.240 nan 0.000 0.523 3209 T N 0.965 115.392 114.554 -0.211 0.000 2.906 3209 T HA 0.624 4.964 4.350 -0.016 0.000 0.295 3209 T C -0.607 173.997 174.700 -0.159 0.000 1.075 3209 T CA -0.408 61.547 62.100 -0.241 0.000 1.005 3209 T CB 1.647 70.294 68.868 -0.369 0.000 1.136 3209 T HN 0.660 nan 8.240 nan 0.000 0.498 3210 T N 1.094 115.561 114.554 -0.146 0.000 2.882 3210 T HA 0.515 4.856 4.350 -0.016 0.000 0.287 3210 T C 1.239 175.876 174.700 -0.106 0.000 1.014 3210 T CA 0.673 62.707 62.100 -0.110 0.000 1.049 3210 T CB 0.836 69.643 68.868 -0.102 0.000 1.001 3210 T HN 1.100 nan 8.240 nan 0.000 0.525 3211 G N 0.317 109.067 108.800 -0.083 0.000 2.141 3211 G HA2 0.212 4.162 3.960 -0.016 0.000 0.242 3211 G HA3 0.212 4.162 3.960 -0.016 0.000 0.242 3211 G C 0.668 175.522 174.900 -0.077 0.000 0.982 3211 G CA 0.102 45.150 45.100 -0.087 0.000 0.662 3211 G HN 1.728 nan 8.290 nan 0.000 0.527 3212 G N -0.505 108.260 108.800 -0.059 0.000 2.587 3212 G HA2 -0.072 3.879 3.960 -0.016 0.000 0.212 3212 G HA3 -0.072 3.879 3.960 -0.016 0.000 0.212 3212 G C 0.396 175.289 174.900 -0.010 0.000 1.327 3212 G CA 0.502 45.584 45.100 -0.029 0.000 0.898 3212 G HN 0.867 nan 8.290 nan 0.000 0.551 3213 N N 0.280 119.009 118.700 0.049 0.000 2.388 3213 N HA 0.220 4.950 4.740 -0.016 0.000 0.176 3213 N C 2.482 178.139 175.510 0.246 0.000 1.062 3213 N CA 1.431 54.557 53.050 0.126 0.000 0.895 3213 N CB -0.114 38.493 38.487 0.200 0.000 1.018 3213 N HN 0.913 nan 8.380 nan 0.000 0.456 3214 A N 1.513 124.453 122.820 0.200 0.000 1.892 3214 A HA -0.153 4.158 4.320 -0.016 0.000 0.218 3214 A C 2.159 179.948 177.584 0.342 0.000 1.188 3214 A CA 1.188 53.406 52.037 0.302 0.000 0.631 3214 A CB -0.789 18.289 19.000 0.131 0.000 0.822 3214 A HN 0.219 nan 8.150 nan 0.000 0.447 3215 L N -0.113 121.173 121.223 0.105 0.000 2.079 3215 L HA -0.168 4.162 4.340 -0.016 0.000 0.210 3215 L C 2.213 179.141 176.870 0.098 0.000 1.081 3215 L CA 2.247 57.115 54.840 0.046 0.000 0.752 3215 L CB -0.611 41.356 42.059 -0.153 0.000 0.896 3215 L HN 0.382 nan 8.230 nan 0.000 0.433 3216 K N -1.131 119.286 120.400 0.029 0.000 2.059 3216 K HA -0.242 4.068 4.320 -0.016 0.000 0.212 3216 K C 2.041 178.575 176.600 -0.110 0.000 1.050 3216 K CA 2.240 58.468 56.287 -0.098 0.000 0.927 3216 K CB -0.469 31.866 32.500 -0.275 0.000 0.714 3216 K HN 0.289 nan 8.250 nan 0.000 0.447 3217 F N -0.853 119.127 119.950 0.050 0.000 2.163 3217 F HA -0.127 4.390 4.527 -0.016 0.000 0.297 3217 F C 2.008 177.767 175.800 -0.069 0.000 1.094 3217 F CA 1.071 59.053 58.000 -0.029 0.000 1.290 3217 F CB -0.285 38.658 39.000 -0.095 0.000 1.017 3217 F HN 0.021 nan 8.300 nan 0.000 0.483 3218 Y N -0.015 120.409 120.300 0.205 0.000 2.519 3218 Y HA 0.250 4.790 4.550 -0.016 0.000 0.287 3218 Y C 1.517 177.479 175.900 0.103 0.000 1.128 3218 Y CA -0.108 58.076 58.100 0.140 0.000 1.282 3218 Y CB -0.617 37.911 38.460 0.112 0.000 1.027 3218 Y HN -0.122 nan 8.280 nan 0.000 0.551 3219 A N -0.217 122.726 122.820 0.205 0.000 2.488 3219 A HA 0.183 4.494 4.320 -0.016 0.000 0.249 3219 A C 1.252 178.882 177.584 0.076 0.000 1.083 3219 A CA 0.253 52.373 52.037 0.138 0.000 0.768 3219 A CB 0.251 19.315 19.000 0.108 0.000 1.017 3219 A HN 0.304 nan 8.150 nan 0.000 0.496 3220 S N 0.618 116.355 115.700 0.062 0.000 2.446 3220 S HA 0.138 4.598 4.470 -0.016 0.000 0.225 3220 S C 0.424 175.007 174.600 -0.028 0.000 1.016 3220 S CA 0.590 58.797 58.200 0.012 0.000 0.943 3220 S CB 0.043 63.254 63.200 0.019 0.000 0.786 3220 S HN 0.565 nan 8.310 nan 0.000 0.508 3221 V N 2.266 122.175 119.914 -0.009 0.000 2.760 3221 V HA 0.477 4.588 4.120 -0.016 0.000 0.309 3221 V C -0.744 175.350 176.094 0.001 0.000 1.077 3221 V CA -0.880 61.400 62.300 -0.032 0.000 0.910 3221 V CB 2.084 33.889 31.823 -0.030 0.000 1.008 3221 V HN 0.130 nan 8.190 nan 0.000 0.424 3222 R N 3.966 124.457 120.500 -0.015 0.000 2.534 3222 R HA 0.699 5.029 4.340 -0.016 0.000 0.301 3222 R C -1.860 174.426 176.300 -0.024 0.000 0.961 3222 R CA -0.911 55.211 56.100 0.037 0.000 0.871 3222 R CB 2.296 32.660 30.300 0.107 0.000 1.170 3222 R HN 0.347 nan 8.270 nan 0.000 0.446 3223 L N 2.300 123.482 121.223 -0.068 0.000 2.333 3223 L HA 0.290 4.620 4.340 -0.016 0.000 0.280 3223 L C -0.369 176.236 176.870 -0.441 0.000 1.004 3223 L CA -0.552 54.193 54.840 -0.158 0.000 0.820 3223 L CB 1.538 43.553 42.059 -0.075 0.000 1.247 3223 L HN 0.495 nan 8.230 nan 0.000 0.416 3224 D N 4.354 124.477 120.400 -0.461 0.000 2.373 3224 D HA 0.277 4.907 4.640 -0.016 0.000 0.227 3224 D C -0.729 175.414 176.300 -0.262 0.000 1.091 3224 D CA -0.186 53.435 54.000 -0.632 0.000 0.840 3224 D CB 0.967 41.517 40.800 -0.417 0.000 1.060 3224 D HN 0.461 nan 8.370 nan 0.000 0.502 3225 I N 3.377 123.829 120.570 -0.196 0.000 2.412 3225 I HA 0.506 4.666 4.170 -0.016 0.000 0.296 3225 I C -0.751 175.347 176.117 -0.031 0.000 0.987 3225 I CA -0.683 60.576 61.300 -0.068 0.000 1.180 3225 I CB 0.744 38.745 38.000 0.002 0.000 1.340 3225 I HN 0.268 nan 8.210 nan 0.000 0.455 3226 R N 5.469 125.946 120.500 -0.038 0.000 2.626 3226 R HA 0.380 4.711 4.340 -0.016 0.000 0.274 3226 R C -1.154 175.126 176.300 -0.033 0.000 1.031 3226 R CA -0.908 55.183 56.100 -0.015 0.000 0.898 3226 R CB 2.065 32.358 30.300 -0.011 0.000 1.222 3226 R HN 0.565 nan 8.270 nan 0.000 0.455 3227 R N 4.047 124.548 120.500 0.003 0.000 2.234 3227 R HA 0.206 4.536 4.340 -0.016 0.000 0.324 3227 R C 0.679 176.974 176.300 -0.009 0.000 1.054 3227 R CA 0.019 56.123 56.100 0.006 0.000 0.912 3227 R CB 0.416 30.754 30.300 0.063 0.000 1.030 3227 R HN 0.765 nan 8.270 nan 0.000 0.455 3228 I N 0.689 121.238 120.570 -0.035 0.000 4.082 3228 I HA 0.501 4.662 4.170 -0.016 0.000 0.337 3228 I C 0.383 176.478 176.117 -0.037 0.000 1.352 3228 I CA -0.219 61.059 61.300 -0.037 0.000 1.097 3228 I CB 0.952 38.920 38.000 -0.053 0.000 1.048 3228 I HN 0.669 nan 8.210 nan 0.000 0.393 3229 G N 1.054 109.834 108.800 -0.034 0.000 2.320 3229 G HA2 0.605 4.555 3.960 -0.016 0.000 0.296 3229 G HA3 0.605 4.555 3.960 -0.016 0.000 0.296 3229 G C -1.974 172.899 174.900 -0.044 0.000 1.306 3229 G CA -0.235 44.838 45.100 -0.045 0.000 0.836 3229 G HN 0.324 nan 8.290 nan 0.000 0.517 3230 A N -0.717 122.062 122.820 -0.067 0.000 2.324 3230 A HA 0.777 5.087 4.320 -0.016 0.000 0.330 3230 A C -0.275 177.276 177.584 -0.056 0.000 1.165 3230 A CA -0.543 51.453 52.037 -0.069 0.000 0.813 3230 A CB 1.572 20.495 19.000 -0.129 0.000 1.197 3230 A HN 1.477 nan 8.150 nan 0.000 0.484 3231 V N 3.047 122.925 119.914 -0.061 0.000 2.383 3231 V HA 0.343 4.453 4.120 -0.016 0.000 0.275 3231 V C 0.098 176.164 176.094 -0.047 0.000 1.036 3231 V CA -0.277 61.985 62.300 -0.063 0.000 0.889 3231 V CB 0.857 32.623 31.823 -0.095 0.000 0.985 3231 V HN 0.837 nan 8.190 nan 0.000 0.459 3232 K N 3.407 123.789 120.400 -0.030 0.000 2.345 3232 K HA 0.453 4.763 4.320 -0.016 0.000 0.255 3232 K C -0.652 175.945 176.600 -0.006 0.000 0.934 3232 K CA -0.723 55.556 56.287 -0.013 0.000 0.801 3232 K CB 2.416 34.906 32.500 -0.016 0.000 1.137 3232 K HN 0.519 nan 8.250 nan 0.000 0.424 3233 E N 2.273 122.477 120.200 0.007 0.000 2.069 3233 E HA 0.108 4.449 4.350 -0.016 0.000 0.254 3233 E C 0.821 177.427 176.600 0.012 0.000 1.088 3233 E CA -0.023 56.383 56.400 0.010 0.000 1.017 3233 E CB 0.690 30.401 29.700 0.019 0.000 1.226 3233 E HN 0.984 nan 8.360 nan 0.000 0.458 3234 G N 3.748 112.551 108.800 0.005 0.000 3.434 3234 G HA2 -0.451 3.500 3.960 -0.016 0.000 0.343 3234 G HA3 -0.451 3.500 3.960 -0.016 0.000 0.343 3234 G C 1.127 176.031 174.900 0.007 0.000 1.240 3234 G CA 0.724 45.826 45.100 0.004 0.000 0.996 3234 G HN 0.490 nan 8.290 nan 0.000 0.650 3235 E N 1.941 122.150 120.200 0.015 0.000 2.033 3235 E HA -0.023 4.318 4.350 -0.016 0.000 0.189 3235 E C 1.100 177.719 176.600 0.031 0.000 0.979 3235 E CA 1.053 57.465 56.400 0.020 0.000 0.802 3235 E CB -0.381 29.333 29.700 0.024 0.000 0.763 3235 E HN 0.761 nan 8.360 nan 0.000 0.449 3236 N N 1.289 120.015 118.700 0.043 0.000 2.514 3236 N HA 0.166 4.897 4.740 -0.016 0.000 0.277 3236 N C -0.741 174.817 175.510 0.080 0.000 1.126 3236 N CA -0.247 52.846 53.050 0.071 0.000 0.978 3236 N CB 1.670 40.203 38.487 0.078 0.000 1.106 3236 N HN -0.193 nan 8.380 nan 0.000 0.461 3237 V N 2.419 122.410 119.914 0.129 0.000 2.405 3237 V HA 0.024 4.135 4.120 -0.016 0.000 0.264 3237 V C 0.746 176.984 176.094 0.240 0.000 1.048 3237 V CA -0.092 62.306 62.300 0.165 0.000 0.966 3237 V CB 1.003 32.963 31.823 0.228 0.000 1.015 3237 V HN 0.627 nan 8.190 nan 0.000 0.477 3238 V N 4.357 124.320 119.914 0.080 0.000 3.605 3238 V HA 0.626 4.736 4.120 -0.016 0.000 0.284 3238 V C 0.826 176.675 176.094 -0.409 0.000 1.386 3238 V CA 1.174 63.482 62.300 0.013 0.000 1.053 3238 V CB 0.387 32.218 31.823 0.013 0.000 0.857 3238 V HN 0.923 nan 8.190 nan 0.000 0.436 3239 G N -1.056 107.379 108.800 -0.608 0.000 2.600 3239 G HA2 0.496 4.447 3.960 -0.016 0.000 0.293 3239 G HA3 0.496 4.447 3.960 -0.016 0.000 0.293 3239 G C -1.478 173.134 174.900 -0.480 0.000 1.408 3239 G CA -0.274 44.221 45.100 -1.008 0.000 0.782 3239 G HN 0.005 nan 8.290 nan 0.000 0.482 3240 S N -0.141 115.408 115.700 -0.251 0.000 2.449 3240 S HA 0.502 4.963 4.470 -0.016 0.000 0.310 3240 S C -0.437 174.153 174.600 -0.018 0.000 1.096 3240 S CA -0.429 57.788 58.200 0.029 0.000 1.095 3240 S CB 1.723 65.047 63.200 0.206 0.000 1.007 3240 S HN 0.575 nan 8.310 nan 0.000 0.474 3241 E N 2.102 122.282 120.200 -0.034 0.000 2.290 3241 E HA 0.338 4.678 4.350 -0.016 0.000 0.277 3241 E C -0.658 175.872 176.600 -0.116 0.000 1.035 3241 E CA 0.301 56.658 56.400 -0.070 0.000 0.873 3241 E CB 0.563 30.227 29.700 -0.061 0.000 1.029 3241 E HN 0.459 nan 8.360 nan 0.000 0.419 3242 T N 4.859 119.264 114.554 -0.249 0.000 2.876 3242 T HA 0.494 4.834 4.350 -0.016 0.000 0.289 3242 T C -0.674 173.717 174.700 -0.515 0.000 1.014 3242 T CA -0.747 61.117 62.100 -0.393 0.000 0.986 3242 T CB 1.268 69.800 68.868 -0.561 0.000 1.021 3242 T HN 0.319 nan 8.240 nan 0.000 0.458 3243 R N 1.936 122.235 120.500 -0.335 0.000 2.534 3243 R HA 0.719 5.049 4.340 -0.016 0.000 0.301 3243 R C -1.734 174.461 176.300 -0.176 0.000 0.961 3243 R CA -0.562 55.389 56.100 -0.248 0.000 0.871 3243 R CB 1.376 31.600 30.300 -0.126 0.000 1.170 3243 R HN 0.445 nan 8.270 nan 0.000 0.446 3244 V N 4.466 124.313 119.914 -0.111 0.000 2.487 3244 V HA 0.391 4.501 4.120 -0.016 0.000 0.298 3244 V C -0.430 175.660 176.094 -0.008 0.000 1.028 3244 V CA -0.856 61.428 62.300 -0.027 0.000 0.860 3244 V CB 1.835 33.710 31.823 0.086 0.000 0.991 3244 V HN 0.687 nan 8.190 nan 0.000 0.427 3245 K N 2.984 123.369 120.400 -0.024 0.000 2.185 3245 K HA 0.604 4.914 4.320 -0.016 0.000 0.269 3245 K C -0.883 175.710 176.600 -0.012 0.000 0.987 3245 K CA -0.702 55.592 56.287 0.011 0.000 0.865 3245 K CB 2.247 34.772 32.500 0.042 0.000 1.090 3245 K HN 0.462 nan 8.250 nan 0.000 0.450 3246 V N 4.423 124.333 119.914 -0.007 0.000 2.356 3246 V HA -0.002 4.109 4.120 -0.016 0.000 0.258 3246 V C 0.975 176.989 176.094 -0.133 0.000 1.065 3246 V CA -0.025 62.231 62.300 -0.073 0.000 0.935 3246 V CB 0.839 32.606 31.823 -0.093 0.000 1.061 3246 V HN 0.681 nan 8.190 nan 0.000 0.484 3247 V N 4.225 124.079 119.914 -0.100 0.000 2.992 3247 V HA 0.143 4.253 4.120 -0.016 0.000 0.250 3247 V C 0.881 176.838 176.094 -0.228 0.000 1.090 3247 V CA 1.184 63.458 62.300 -0.044 0.000 1.101 3247 V CB 0.118 32.006 31.823 0.109 0.000 0.743 3247 V HN 0.804 nan 8.190 nan 0.000 0.468 3248 K N 0.812 121.079 120.400 -0.222 0.000 2.464 3248 K HA 0.401 4.712 4.320 -0.016 0.000 0.253 3248 K C -1.564 174.883 176.600 -0.255 0.000 0.933 3248 K CA -0.578 55.552 56.287 -0.261 0.000 0.801 3248 K CB 1.781 34.204 32.500 -0.129 0.000 1.271 3248 K HN 0.107 nan 8.250 nan 0.000 0.430 3249 N N 2.963 121.476 118.700 -0.311 0.000 2.503 3249 N HA 0.223 4.953 4.740 -0.016 0.000 0.287 3249 N C -0.958 174.384 175.510 -0.280 0.000 1.096 3249 N CA -0.382 52.507 53.050 -0.268 0.000 0.936 3249 N CB 1.830 40.141 38.487 -0.294 0.000 1.570 3249 N HN 0.680 nan 8.380 nan 0.000 0.504 3250 K N 2.300 122.576 120.400 -0.207 0.000 2.355 3250 K HA 0.292 4.603 4.320 -0.016 0.000 0.198 3250 K C 1.328 177.795 176.600 -0.223 0.000 1.039 3250 K CA 0.299 56.459 56.287 -0.212 0.000 1.075 3250 K CB 0.363 32.794 32.500 -0.115 0.000 0.870 3250 K HN 0.681 nan 8.250 nan 0.000 0.540 3251 I N -4.146 116.313 120.570 -0.186 0.000 4.181 3251 I HA 0.404 4.565 4.170 -0.016 0.000 0.331 3251 I C 0.236 176.271 176.117 -0.136 0.000 1.312 3251 I CA -0.458 60.762 61.300 -0.134 0.000 1.146 3251 I CB 0.903 38.858 38.000 -0.074 0.000 1.074 3251 I HN -0.169 nan 8.210 nan 0.000 0.402 3252 A N 1.171 123.878 122.820 -0.188 0.000 2.564 3252 A HA 0.796 5.106 4.320 -0.016 0.000 0.291 3252 A C -0.643 176.804 177.584 -0.229 0.000 1.102 3252 A CA -0.253 51.694 52.037 -0.149 0.000 0.660 3252 A CB 0.248 19.201 19.000 -0.079 0.000 1.283 3252 A HN 0.347 nan 8.150 nan 0.000 0.430 3253 A N 1.283 124.006 122.820 -0.161 0.000 2.561 3253 A HA 0.525 4.835 4.320 -0.016 0.000 0.234 3253 A C -1.976 175.423 177.584 -0.310 0.000 1.055 3253 A CA 0.028 51.921 52.037 -0.240 0.000 0.756 3253 A CB -0.772 18.226 19.000 -0.003 0.000 0.986 3253 A HN 0.561 nan 8.150 nan 0.000 0.505 3254 P HA 0.568 nan 4.420 nan 0.000 0.284 3254 P C -0.179 176.925 177.300 -0.327 0.000 1.292 3254 P CA -0.302 62.434 63.100 -0.606 0.000 0.800 3254 P CB 0.269 31.299 31.700 -1.118 0.000 1.188 3255 F N -4.462 115.467 119.950 -0.035 0.000 2.699 3255 F HA -0.191 4.327 4.527 -0.016 0.000 0.343 3255 F C 0.669 176.482 175.800 0.022 0.000 0.633 3255 F CA 0.591 58.599 58.000 0.014 0.000 1.365 3255 F CB -2.418 36.617 39.000 0.059 0.000 1.795 3255 F HN 0.232 nan 8.300 nan 0.000 0.304 3256 K N 1.283 121.756 120.400 0.121 0.000 2.138 3256 K HA 0.520 4.831 4.320 -0.016 0.000 0.251 3256 K C 0.466 177.110 176.600 0.072 0.000 1.015 3256 K CA -0.276 56.065 56.287 0.091 0.000 0.917 3256 K CB 0.770 33.303 32.500 0.055 0.000 1.021 3256 K HN 0.419 nan 8.250 nan 0.000 0.485 3257 Q N -0.402 119.436 119.800 0.062 0.000 2.456 3257 Q HA 0.738 5.068 4.340 -0.016 0.000 0.283 3257 Q C -1.728 174.302 176.000 0.051 0.000 1.084 3257 Q CA -1.309 54.524 55.803 0.049 0.000 0.801 3257 Q CB 2.060 30.823 28.738 0.041 0.000 1.434 3257 Q HN 0.529 nan 8.270 nan 0.000 0.419 3258 A N 1.137 123.992 122.820 0.059 0.000 2.365 3258 A HA 0.681 4.991 4.320 -0.016 0.000 0.318 3258 A C -1.243 176.360 177.584 0.031 0.000 1.091 3258 A CA -0.612 51.487 52.037 0.104 0.000 0.763 3258 A CB 1.741 20.871 19.000 0.217 0.000 1.248 3258 A HN 0.743 nan 8.150 nan 0.000 0.442 3259 E N 0.436 120.658 120.200 0.037 0.000 2.256 3259 E HA 0.657 4.998 4.350 -0.016 0.000 0.268 3259 E C -1.454 175.154 176.600 0.013 0.000 0.877 3259 E CA -0.312 56.025 56.400 -0.106 0.000 0.757 3259 E CB 1.983 31.642 29.700 -0.068 0.000 1.183 3259 E HN 0.616 nan 8.360 nan 0.000 0.418 3260 F N -0.928 119.017 119.950 -0.008 0.000 2.779 3260 F HA 0.441 4.959 4.527 -0.016 0.000 0.316 3260 F C -1.199 174.596 175.800 -0.008 0.000 1.164 3260 F CA -1.201 56.790 58.000 -0.014 0.000 0.924 3260 F CB 0.923 39.915 39.000 -0.014 0.000 1.348 3260 F HN 0.151 nan 8.300 nan 0.000 0.467 3261 Q N 1.317 121.288 119.800 0.285 0.000 2.245 3261 Q HA 0.652 4.983 4.340 -0.016 0.000 0.256 3261 Q C -1.150 175.010 176.000 0.266 0.000 0.942 3261 Q CA -0.764 55.134 55.803 0.158 0.000 0.896 3261 Q CB 2.862 31.640 28.738 0.066 0.000 1.272 3261 Q HN 0.583 nan 8.270 nan 0.000 0.442 3262 I N 3.583 124.256 120.570 0.171 0.000 2.307 3262 I HA 0.234 4.394 4.170 -0.016 0.000 0.289 3262 I C -0.637 175.471 176.117 -0.015 0.000 1.021 3262 I CA -0.436 60.964 61.300 0.167 0.000 1.224 3262 I CB 0.677 38.825 38.000 0.247 0.000 1.376 3262 I HN 0.357 nan 8.210 nan 0.000 0.470 3263 L N 7.011 128.232 121.223 -0.003 0.000 2.275 3263 L HA 0.349 4.680 4.340 -0.016 0.000 0.288 3263 L C -0.591 176.308 176.870 0.048 0.000 1.046 3263 L CA -0.887 53.894 54.840 -0.097 0.000 0.805 3263 L CB 0.322 42.366 42.059 -0.025 0.000 1.193 3263 L HN 0.376 nan 8.230 nan 0.000 0.426 3264 Y N 1.687 122.076 120.300 0.150 0.000 2.610 3264 Y HA 0.202 4.742 4.550 -0.016 0.000 0.332 3264 Y C 1.499 177.522 175.900 0.205 0.000 1.201 3264 Y CA 0.234 58.455 58.100 0.201 0.000 1.465 3264 Y CB 0.016 38.565 38.460 0.148 0.000 1.283 3264 Y HN 0.857 nan 8.280 nan 0.000 0.563 3265 G N 1.757 110.860 108.800 0.506 0.000 2.155 3265 G HA2 -0.367 3.584 3.960 -0.016 0.000 0.257 3265 G HA3 -0.367 3.584 3.960 -0.016 0.000 0.257 3265 G C 0.756 175.687 174.900 0.052 0.000 0.983 3265 G CA 0.849 46.111 45.100 0.270 0.000 0.676 3265 G HN 0.726 nan 8.290 nan 0.000 0.528 3266 E N -1.749 118.482 120.200 0.053 0.000 2.571 3266 E HA 0.452 4.792 4.350 -0.016 0.000 0.204 3266 E C 1.357 177.949 176.600 -0.014 0.000 0.851 3266 E CA 1.180 57.585 56.400 0.009 0.000 1.358 3266 E CB 0.480 30.205 29.700 0.042 0.000 1.327 3266 E HN 1.775 nan 8.360 nan 0.000 0.665 3267 G N 0.965 109.787 108.800 0.036 0.000 2.428 3267 G HA2 -0.171 3.780 3.960 -0.016 0.000 0.202 3267 G HA3 -0.171 3.780 3.960 -0.016 0.000 0.202 3267 G C -0.560 174.378 174.900 0.064 0.000 1.247 3267 G CA -0.391 44.732 45.100 0.039 0.000 1.020 3267 G HN 0.178 nan 8.290 nan 0.000 0.529 3268 I N 1.435 122.024 120.570 0.032 0.000 2.683 3268 I HA 0.045 4.205 4.170 -0.016 0.000 0.286 3268 I C 0.716 176.852 176.117 0.031 0.000 1.175 3268 I CA -0.169 61.137 61.300 0.011 0.000 1.429 3268 I CB 0.670 38.558 38.000 -0.186 0.000 1.371 3268 I HN 0.469 nan 8.210 nan 0.000 0.569 3269 N N 6.572 125.314 118.700 0.069 0.000 2.739 3269 N HA -0.030 4.701 4.740 -0.016 0.000 0.266 3269 N C 0.546 176.086 175.510 0.049 0.000 1.168 3269 N CA 0.135 53.231 53.050 0.077 0.000 1.055 3269 N CB -0.094 38.438 38.487 0.075 0.000 1.393 3269 N HN 0.516 nan 8.380 nan 0.000 0.514 3270 F N 3.123 122.992 119.950 -0.134 0.000 2.102 3270 F HA -0.168 4.347 4.527 -0.019 0.000 0.298 3270 F C 0.898 176.561 175.800 -0.228 0.000 1.105 3270 F CA 1.525 59.373 58.000 -0.253 0.000 1.239 3270 F CB -0.103 38.648 39.000 -0.415 0.000 0.991 3270 F HN 0.407 nan 8.300 nan 0.000 0.474 3271 Y N 0.471 120.832 120.300 0.102 0.000 2.352 3271 Y HA 0.025 4.572 4.550 -0.005 0.000 0.292 3271 Y C 2.630 178.474 175.900 -0.094 0.000 1.136 3271 Y CA 0.923 59.022 58.100 -0.001 0.000 1.227 3271 Y CB -1.276 37.231 38.460 0.078 0.000 0.991 3271 Y HN 0.144 nan 8.280 nan 0.000 0.545 3272 G N 0.018 108.852 108.800 0.056 0.000 2.459 3272 G HA2 -0.259 3.692 3.960 -0.016 0.000 0.217 3272 G HA3 -0.259 3.692 3.960 -0.016 0.000 0.217 3272 G C 1.492 176.354 174.900 -0.062 0.000 1.183 3272 G CA 1.087 46.184 45.100 -0.005 0.000 0.776 3272 G HN 0.401 nan 8.290 nan 0.000 0.552 3273 E N -0.283 119.841 120.200 -0.126 0.000 2.097 3273 E HA -0.155 4.186 4.350 -0.016 0.000 0.196 3273 E C 2.398 178.878 176.600 -0.199 0.000 1.000 3273 E CA 0.902 57.203 56.400 -0.166 0.000 0.804 3273 E CB -0.224 29.314 29.700 -0.270 0.000 0.740 3273 E HN 0.307 nan 8.360 nan 0.000 0.454 3274 L N 0.641 121.685 121.223 -0.298 0.000 2.042 3274 L HA -0.174 4.156 4.340 -0.016 0.000 0.210 3274 L C 2.198 179.025 176.870 -0.072 0.000 1.076 3274 L CA 1.360 56.070 54.840 -0.217 0.000 0.749 3274 L CB -0.385 41.554 42.059 -0.200 0.000 0.893 3274 L HN -0.026 nan 8.230 nan 0.000 0.432 3275 V N -0.182 119.704 119.914 -0.047 0.000 2.220 3275 V HA -0.332 3.778 4.120 -0.016 0.000 0.246 3275 V C 2.323 178.427 176.094 0.016 0.000 1.049 3275 V CA 2.086 64.367 62.300 -0.032 0.000 1.003 3275 V CB -0.795 30.950 31.823 -0.131 0.000 0.634 3275 V HN 0.420 nan 8.190 nan 0.000 0.444 3276 D N -0.055 120.348 120.400 0.005 0.000 2.116 3276 D HA -0.164 4.466 4.640 -0.016 0.000 0.193 3276 D C 2.041 178.361 176.300 0.034 0.000 0.998 3276 D CA 1.165 55.188 54.000 0.038 0.000 0.836 3276 D CB -0.367 40.445 40.800 0.020 0.000 0.951 3276 D HN 0.161 nan 8.370 nan 0.000 0.449 3277 L N 0.632 121.855 121.223 -0.001 0.000 2.046 3277 L HA -0.036 4.294 4.340 -0.016 0.000 0.208 3277 L C 2.535 179.422 176.870 0.029 0.000 1.077 3277 L CA 1.672 56.513 54.840 0.001 0.000 0.747 3277 L CB -1.634 40.403 42.059 -0.037 0.000 0.896 3277 L HN 0.083 nan 8.230 nan 0.000 0.432 3278 G N -1.076 107.745 108.800 0.036 0.000 2.446 3278 G HA2 -0.195 3.756 3.960 -0.016 0.000 0.217 3278 G HA3 -0.195 3.756 3.960 -0.016 0.000 0.217 3278 G C 1.758 176.719 174.900 0.102 0.000 1.168 3278 G CA 1.035 46.179 45.100 0.073 0.000 0.771 3278 G HN 0.273 nan 8.290 nan 0.000 0.551 3279 V N 0.798 120.781 119.914 0.116 0.000 2.295 3279 V HA -0.145 3.965 4.120 -0.016 0.000 0.246 3279 V C 2.701 178.844 176.094 0.083 0.000 1.049 3279 V CA 2.201 64.576 62.300 0.126 0.000 1.024 3279 V CB -0.380 31.547 31.823 0.173 0.000 0.648 3279 V HN 0.399 nan 8.190 nan 0.000 0.447 3280 K N -0.129 120.311 120.400 0.068 0.000 2.103 3280 K HA -0.200 4.110 4.320 -0.016 0.000 0.207 3280 K C 1.757 178.385 176.600 0.047 0.000 1.048 3280 K CA 1.461 57.778 56.287 0.050 0.000 0.930 3280 K CB -0.020 32.505 32.500 0.040 0.000 0.716 3280 K HN 0.365 nan 8.250 nan 0.000 0.444 3281 E N 0.751 120.982 120.200 0.053 0.000 2.476 3281 E HA -0.013 4.327 4.350 -0.016 0.000 0.191 3281 E C -0.223 176.412 176.600 0.059 0.000 1.064 3281 E CA 0.148 56.579 56.400 0.052 0.000 0.866 3281 E CB 0.453 30.184 29.700 0.052 0.000 0.952 3281 E HN 0.188 nan 8.360 nan 0.000 0.492 3282 K N -0.153 120.286 120.400 0.064 0.000 3.129 3282 K HA -0.194 4.116 4.320 -0.016 0.000 0.273 3282 K C 0.879 177.528 176.600 0.082 0.000 1.123 3282 K CA 0.446 56.770 56.287 0.062 0.000 0.800 3282 K CB -2.117 30.408 32.500 0.042 0.000 1.238 3282 K HN 0.255 nan 8.250 nan 0.000 0.492 3283 L N -0.558 120.736 121.223 0.118 0.000 2.357 3283 L HA 0.237 4.568 4.340 -0.016 0.000 0.211 3283 L C 1.138 178.167 176.870 0.264 0.000 1.075 3283 L CA 0.428 55.378 54.840 0.183 0.000 0.830 3283 L CB 0.187 42.371 42.059 0.208 0.000 0.996 3283 L HN 0.105 nan 8.230 nan 0.000 0.467 3284 I N 0.008 120.711 120.570 0.223 0.000 2.378 3284 I HA 0.199 4.359 4.170 -0.016 0.000 0.291 3284 I C -0.179 176.036 176.117 0.164 0.000 0.992 3284 I CA -0.542 60.907 61.300 0.249 0.000 1.154 3284 I CB 2.031 40.179 38.000 0.247 0.000 1.315 3284 I HN -0.081 nan 8.210 nan 0.000 0.448 3285 E N 6.074 126.350 120.200 0.127 0.000 2.301 3285 E HA 0.269 4.610 4.350 -0.016 0.000 0.275 3285 E C -0.767 175.841 176.600 0.013 0.000 1.030 3285 E CA -0.345 56.087 56.400 0.053 0.000 0.852 3285 E CB 1.017 30.729 29.700 0.021 0.000 1.060 3285 E HN 0.319 nan 8.360 nan 0.000 0.401 3286 K N 2.739 123.102 120.400 -0.062 0.000 2.616 3286 K HA 0.526 4.836 4.320 -0.016 0.000 0.241 3286 K C -1.726 174.789 176.600 -0.142 0.000 0.961 3286 K CA -0.633 55.522 56.287 -0.219 0.000 0.942 3286 K CB 1.087 33.389 32.500 -0.330 0.000 1.153 3286 K HN 0.506 nan 8.250 nan 0.000 0.452 3287 A N 3.376 126.142 122.820 -0.090 0.000 2.444 3287 A HA 0.604 4.914 4.320 -0.016 0.000 0.332 3287 A C 0.798 178.379 177.584 -0.006 0.000 1.430 3287 A CA 0.383 52.402 52.037 -0.030 0.000 0.975 3287 A CB 0.116 19.117 19.000 0.002 0.000 1.147 3287 A HN 1.021 nan 8.150 nan 0.000 0.524 3288 G N 1.962 110.735 108.800 -0.045 0.000 2.687 3288 G HA2 -0.070 3.881 3.960 -0.016 0.000 0.303 3288 G HA3 -0.070 3.881 3.960 -0.016 0.000 0.303 3288 G C 1.290 176.125 174.900 -0.110 0.000 1.209 3288 G CA 0.896 45.971 45.100 -0.042 0.000 0.968 3288 G HN 1.988 nan 8.290 nan 0.000 0.549 3289 A N -0.873 121.887 122.820 -0.100 0.000 2.303 3289 A HA 0.517 4.827 4.320 -0.016 0.000 0.217 3289 A C 0.609 178.035 177.584 -0.263 0.000 1.205 3289 A CA 0.446 52.369 52.037 -0.190 0.000 0.875 3289 A CB 0.054 18.938 19.000 -0.194 0.000 0.910 3289 A HN 0.564 nan 8.150 nan 0.000 0.501 3290 W N -0.138 121.071 121.300 -0.152 0.000 2.335 3290 W HA 0.503 5.151 4.660 -0.020 0.000 0.306 3290 W C -0.727 175.668 176.519 -0.206 0.000 1.216 3290 W CA -0.070 57.215 57.345 -0.100 0.000 1.237 3290 W CB 0.364 29.784 29.460 -0.067 0.000 1.243 3290 W HN 0.233 nan 8.180 nan 0.000 0.493 3291 Y N 2.571 123.014 120.300 0.240 0.000 2.330 3291 Y HA 0.451 4.993 4.550 -0.013 0.000 0.336 3291 Y C 0.485 176.443 175.900 0.098 0.000 1.036 3291 Y CA -0.356 57.817 58.100 0.122 0.000 1.125 3291 Y CB 1.413 39.902 38.460 0.048 0.000 1.194 3291 Y HN 0.141 nan 8.280 nan 0.000 0.469 3292 S N 2.445 118.249 115.700 0.173 0.000 2.526 3292 S HA 0.430 4.890 4.470 -0.016 0.000 0.293 3292 S C -1.964 172.701 174.600 0.109 0.000 1.092 3292 S CA -0.803 57.436 58.200 0.064 0.000 0.980 3292 S CB 1.392 64.597 63.200 0.008 0.000 1.048 3292 S HN 0.493 nan 8.310 nan 0.000 0.483 3293 Y N 2.579 122.809 120.300 -0.116 0.000 2.350 3293 Y HA 0.379 4.920 4.550 -0.015 0.000 0.338 3293 Y C 0.130 176.007 175.900 -0.039 0.000 0.961 3293 Y CA -1.061 57.003 58.100 -0.060 0.000 1.100 3293 Y CB 0.698 39.121 38.460 -0.062 0.000 1.179 3293 Y HN 0.800 nan 8.280 nan 0.000 0.454 3294 K N 4.846 124.918 120.400 -0.546 0.000 3.177 3294 K HA -0.272 4.038 4.320 -0.016 0.000 0.266 3294 K C 0.956 177.435 176.600 -0.202 0.000 0.937 3294 K CA 1.021 57.047 56.287 -0.435 0.000 0.702 3294 K CB -1.668 30.482 32.500 -0.583 0.000 1.365 3294 K HN 1.302 nan 8.250 nan 0.000 0.466 3295 G N -0.118 108.598 108.800 -0.140 0.000 2.320 3295 G HA2 -0.349 3.602 3.960 -0.016 0.000 0.242 3295 G HA3 -0.349 3.602 3.960 -0.016 0.000 0.242 3295 G C -0.106 174.736 174.900 -0.096 0.000 1.033 3295 G CA 0.439 45.479 45.100 -0.100 0.000 0.620 3295 G HN 0.458 nan 8.290 nan 0.000 0.517 3296 E N 1.543 121.689 120.200 -0.091 0.000 2.200 3296 E HA 0.377 4.717 4.350 -0.016 0.000 0.283 3296 E C 0.077 176.594 176.600 -0.139 0.000 1.015 3296 E CA -0.514 55.830 56.400 -0.093 0.000 0.819 3296 E CB 0.425 30.100 29.700 -0.043 0.000 1.081 3296 E HN 0.368 nan 8.360 nan 0.000 0.397 3297 K N 4.183 124.490 120.400 -0.154 0.000 2.412 3297 K HA 0.071 4.382 4.320 -0.016 0.000 0.281 3297 K C 1.159 177.642 176.600 -0.196 0.000 1.027 3297 K CA 0.199 56.408 56.287 -0.130 0.000 0.989 3297 K CB 0.511 32.868 32.500 -0.238 0.000 0.935 3297 K HN 0.535 nan 8.250 nan 0.000 0.475 3298 I N -1.488 118.945 120.570 -0.227 0.000 4.187 3298 I HA 0.329 4.489 4.170 -0.016 0.000 0.326 3298 I C 0.559 176.565 176.117 -0.185 0.000 1.302 3298 I CA -0.327 60.580 61.300 -0.655 0.000 1.196 3298 I CB 1.028 38.331 38.000 -1.161 0.000 1.095 3298 I HN 0.566 nan 8.210 nan 0.000 0.411 3299 G N 1.360 110.249 108.800 0.148 0.000 2.384 3299 G HA2 0.183 4.133 3.960 -0.016 0.000 0.300 3299 G HA3 0.183 4.133 3.960 -0.016 0.000 0.300 3299 G C -2.093 172.792 174.900 -0.025 0.000 1.582 3299 G CA -0.693 44.479 45.100 0.119 0.000 0.875 3299 G HN 0.208 nan 8.290 nan 0.000 0.628 3300 Q N 0.381 119.877 119.800 -0.505 0.000 2.303 3300 Q HA 0.554 4.885 4.340 -0.016 0.000 0.257 3300 Q C 0.459 176.291 176.000 -0.280 0.000 0.941 3300 Q CA 0.552 55.876 55.803 -0.799 0.000 0.931 3300 Q CB 1.114 29.023 28.738 -1.382 0.000 1.215 3300 Q HN 2.398 nan 8.270 nan 0.000 0.437 3301 G N 3.009 111.782 108.800 -0.045 0.000 2.722 3301 G HA2 -0.256 3.695 3.960 -0.016 0.000 0.686 3301 G HA3 -0.256 3.695 3.960 -0.016 0.000 0.686 3301 G C 0.019 174.943 174.900 0.039 0.000 1.282 3301 G CA -0.021 45.119 45.100 0.066 0.000 0.817 3301 G HN 0.799 nan 8.290 nan 0.000 0.605 3302 K N 1.023 121.436 120.400 0.022 0.000 2.074 3302 K HA -0.058 4.252 4.320 -0.016 0.000 0.209 3302 K C 2.997 179.482 176.600 -0.191 0.000 1.048 3302 K CA 2.563 58.708 56.287 -0.238 0.000 0.926 3302 K CB -0.364 32.091 32.500 -0.075 0.000 0.713 3302 K HN 1.204 nan 8.250 nan 0.000 0.444 3303 A N 1.288 124.055 122.820 -0.089 0.000 1.903 3303 A HA -0.269 4.041 4.320 -0.016 0.000 0.219 3303 A C 1.802 179.351 177.584 -0.059 0.000 1.191 3303 A CA 2.205 54.206 52.037 -0.059 0.000 0.638 3303 A CB -0.905 18.074 19.000 -0.036 0.000 0.823 3303 A HN 0.569 nan 8.150 nan 0.000 0.451 3304 N N -0.541 118.119 118.700 -0.067 0.000 2.216 3304 N HA 0.023 4.753 4.740 -0.016 0.000 0.183 3304 N C 2.005 177.512 175.510 -0.005 0.000 1.017 3304 N CA 0.765 53.798 53.050 -0.029 0.000 0.861 3304 N CB -0.201 38.261 38.487 -0.042 0.000 0.986 3304 N HN 0.504 nan 8.380 nan 0.000 0.428 3305 A N 0.855 123.609 122.820 -0.111 0.000 1.902 3305 A HA -0.145 4.166 4.320 -0.016 0.000 0.217 3305 A C 2.277 179.848 177.584 -0.022 0.000 1.181 3305 A CA 1.723 53.686 52.037 -0.123 0.000 0.623 3305 A CB -1.015 17.675 19.000 -0.516 0.000 0.818 3305 A HN 0.206 nan 8.150 nan 0.000 0.443 3306 T N 0.536 115.042 114.554 -0.079 0.000 2.684 3306 T HA -0.092 4.248 4.350 -0.016 0.000 0.267 3306 T C 2.229 176.911 174.700 -0.028 0.000 1.036 3306 T CA 1.821 63.910 62.100 -0.018 0.000 1.148 3306 T CB -0.577 68.285 68.868 -0.009 0.000 0.863 3306 T HN 0.626 nan 8.240 nan 0.000 0.436 3307 A N 0.279 123.093 122.820 -0.011 0.000 1.940 3307 A HA -0.136 4.174 4.320 -0.016 0.000 0.219 3307 A C 2.057 179.626 177.584 -0.025 0.000 1.176 3307 A CA 1.653 53.675 52.037 -0.025 0.000 0.631 3307 A CB -1.157 17.848 19.000 0.008 0.000 0.814 3307 A HN 0.715 nan 8.150 nan 0.000 0.446 3308 W N 0.435 121.665 121.300 -0.115 0.000 2.381 3308 W HA -0.108 4.548 4.660 -0.008 0.000 0.301 3308 W C 1.817 178.243 176.519 -0.155 0.000 1.205 3308 W CA 1.806 59.093 57.345 -0.096 0.000 1.285 3308 W CB -0.253 29.183 29.460 -0.040 0.000 1.133 3308 W HN 0.253 nan 8.180 nan 0.000 0.521 3309 L N 0.538 121.747 121.223 -0.023 0.000 2.046 3309 L HA -0.223 4.108 4.340 -0.016 0.000 0.208 3309 L C 2.567 179.024 176.870 -0.688 0.000 1.077 3309 L CA 1.608 56.285 54.840 -0.270 0.000 0.747 3309 L CB -0.925 41.110 42.059 -0.039 0.000 0.896 3309 L HN -0.093 nan 8.230 nan 0.000 0.432 3310 K N -0.092 119.798 120.400 -0.850 0.000 2.103 3310 K HA -0.248 4.063 4.320 -0.016 0.000 0.207 3310 K C 1.587 177.880 176.600 -0.512 0.000 1.048 3310 K CA 1.877 57.607 56.287 -0.927 0.000 0.930 3310 K CB -0.008 32.183 32.500 -0.516 0.000 0.716 3310 K HN 0.187 nan 8.250 nan 0.000 0.444 3311 D N -0.231 119.900 120.400 -0.448 0.000 2.249 3311 D HA -0.030 4.601 4.640 -0.016 0.000 0.205 3311 D C -0.416 175.610 176.300 -0.456 0.000 0.962 3311 D CA 0.683 54.454 54.000 -0.381 0.000 0.860 3311 D CB 0.201 40.799 40.800 -0.337 0.000 0.955 3311 D HN 0.097 nan 8.370 nan 0.000 0.505 3312 N N 0.007 118.322 118.700 -0.642 0.000 2.976 3312 N HA 0.212 4.942 4.740 -0.016 0.000 0.255 3312 N C -2.164 173.118 175.510 -0.380 0.000 1.312 3312 N CA -1.134 51.556 53.050 -0.600 0.000 0.897 3312 N CB 1.784 39.633 38.487 -1.064 0.000 1.184 3312 N HN 0.010 nan 8.380 nan 0.000 0.497 3313 P HA -0.116 nan 4.420 nan 0.000 0.221 3313 P C 0.890 178.160 177.300 -0.049 0.000 1.150 3313 P CA 1.051 64.091 63.100 -0.101 0.000 0.800 3313 P CB 0.463 32.125 31.700 -0.064 0.000 0.787 3314 E N -0.521 119.636 120.200 -0.072 0.000 2.072 3314 E HA -0.101 4.240 4.350 -0.016 0.000 0.191 3314 E C 1.819 178.414 176.600 -0.009 0.000 0.985 3314 E CA 1.470 57.853 56.400 -0.028 0.000 0.801 3314 E CB -1.759 27.926 29.700 -0.026 0.000 0.750 3314 E HN 0.250 nan 8.360 nan 0.000 0.452 3315 T N 1.713 116.241 114.554 -0.043 0.000 2.821 3315 T HA -0.018 4.323 4.350 -0.016 0.000 0.267 3315 T C 2.046 176.723 174.700 -0.038 0.000 1.046 3315 T CA 1.372 63.464 62.100 -0.013 0.000 1.139 3315 T CB -0.237 68.629 68.868 -0.004 0.000 0.871 3315 T HN 0.314 nan 8.240 nan 0.000 0.454 3316 A N 2.174 124.978 122.820 -0.026 0.000 1.877 3316 A HA -0.146 4.164 4.320 -0.016 0.000 0.216 3316 A C 2.302 179.953 177.584 0.110 0.000 1.186 3316 A CA 1.290 53.378 52.037 0.084 0.000 0.620 3316 A CB -0.343 18.795 19.000 0.229 0.000 0.822 3316 A HN 0.198 nan 8.150 nan 0.000 0.443 3317 K N -0.123 120.329 120.400 0.087 0.000 2.063 3317 K HA -0.194 4.117 4.320 -0.016 0.000 0.208 3317 K C 1.918 178.558 176.600 0.066 0.000 1.048 3317 K CA 1.686 58.019 56.287 0.075 0.000 0.928 3317 K CB -0.577 31.950 32.500 0.045 0.000 0.713 3317 K HN 0.798 nan 8.250 nan 0.000 0.442 3318 E N 0.634 120.869 120.200 0.059 0.000 2.058 3318 E HA -0.161 4.180 4.350 -0.016 0.000 0.194 3318 E C 2.114 178.761 176.600 0.079 0.000 0.997 3318 E CA 1.091 57.537 56.400 0.077 0.000 0.801 3318 E CB -0.059 29.706 29.700 0.107 0.000 0.746 3318 E HN 0.235 nan 8.360 nan 0.000 0.450 3319 I N 0.968 121.562 120.570 0.041 0.000 2.226 3319 I HA -0.245 3.915 4.170 -0.016 0.000 0.245 3319 I C 2.731 178.879 176.117 0.052 0.000 1.100 3319 I CA 1.298 62.618 61.300 0.034 0.000 1.374 3319 I CB -0.393 37.571 38.000 -0.061 0.000 1.057 3319 I HN 0.265 nan 8.210 nan 0.000 0.413 3320 E N 1.569 121.806 120.200 0.063 0.000 2.077 3320 E HA -0.303 4.037 4.350 -0.016 0.000 0.193 3320 E C 2.228 178.866 176.600 0.063 0.000 0.989 3320 E CA 1.432 57.874 56.400 0.070 0.000 0.800 3320 E CB 0.018 29.800 29.700 0.138 0.000 0.746 3320 E HN 0.334 nan 8.360 nan 0.000 0.452 3321 K N 0.684 121.123 120.400 0.065 0.000 2.063 3321 K HA -0.199 4.112 4.320 -0.016 0.000 0.208 3321 K C 2.092 178.724 176.600 0.053 0.000 1.048 3321 K CA 1.649 57.969 56.287 0.055 0.000 0.928 3321 K CB 0.072 32.603 32.500 0.053 0.000 0.713 3321 K HN -0.046 nan 8.250 nan 0.000 0.442 3322 K N -0.044 120.394 120.400 0.062 0.000 2.057 3322 K HA -0.064 4.246 4.320 -0.016 0.000 0.206 3322 K C 1.944 178.576 176.600 0.053 0.000 1.050 3322 K CA 1.166 57.491 56.287 0.064 0.000 0.935 3322 K CB 0.059 32.611 32.500 0.086 0.000 0.715 3322 K HN -0.040 nan 8.250 nan 0.000 0.439 3323 V N 1.344 121.287 119.914 0.048 0.000 2.407 3323 V HA -0.266 3.845 4.120 -0.016 0.000 0.248 3323 V C 2.173 178.284 176.094 0.029 0.000 1.055 3323 V CA 1.725 64.045 62.300 0.033 0.000 1.049 3323 V CB -0.435 31.396 31.823 0.014 0.000 0.662 3323 V HN 0.270 nan 8.190 nan 0.000 0.455 3324 R N -0.295 120.224 120.500 0.032 0.000 2.075 3324 R HA -0.135 4.196 4.340 -0.016 0.000 0.232 3324 R C 2.354 178.672 176.300 0.030 0.000 1.126 3324 R CA 1.552 57.670 56.100 0.030 0.000 0.963 3324 R CB -0.284 30.036 30.300 0.034 0.000 0.858 3324 R HN 0.594 nan 8.270 nan 0.000 0.435 3325 E N 0.607 120.827 120.200 0.034 0.000 2.085 3325 E HA -0.199 4.142 4.350 -0.016 0.000 0.194 3325 E C 1.969 178.589 176.600 0.032 0.000 0.994 3325 E CA 1.092 57.512 56.400 0.033 0.000 0.801 3325 E CB -0.058 29.663 29.700 0.035 0.000 0.743 3325 E HN 0.283 nan 8.360 nan 0.000 0.453 3326 L N 0.001 121.244 121.223 0.034 0.000 2.156 3326 L HA -0.108 4.222 4.340 -0.016 0.000 0.208 3326 L C 2.007 178.896 176.870 0.031 0.000 1.095 3326 L CA 0.780 55.641 54.840 0.034 0.000 0.770 3326 L CB 0.078 42.159 42.059 0.037 0.000 0.914 3326 L HN 0.150 nan 8.230 nan 0.000 0.439 3327 L N -1.397 119.843 121.223 0.029 0.000 2.749 3327 L HA 0.190 4.520 4.340 -0.016 0.000 0.242 3327 L C 0.378 177.264 176.870 0.027 0.000 1.103 3327 L CA -0.267 54.589 54.840 0.028 0.000 0.906 3327 L CB 0.500 42.573 42.059 0.024 0.000 1.228 3327 L HN 0.047 nan 8.230 nan 0.000 0.517 3328 L N 0.732 121.971 121.223 0.026 0.000 2.360 3328 L HA 0.094 4.424 4.340 -0.016 0.000 0.276 3328 L C 1.443 178.330 176.870 0.027 0.000 1.121 3328 L CA -0.073 54.781 54.840 0.023 0.000 0.845 3328 L CB 1.466 43.537 42.059 0.021 0.000 1.143 3328 L HN 0.165 nan 8.230 nan 0.000 0.452 3329 S N 1.063 116.780 115.700 0.028 0.000 2.528 3329 S HA 0.019 4.480 4.470 -0.016 0.000 0.219 3329 S C 0.612 175.233 174.600 0.035 0.000 0.985 3329 S CA -0.008 58.213 58.200 0.036 0.000 0.914 3329 S CB -0.107 63.119 63.200 0.043 0.000 0.776 3329 S HN 0.773 nan 8.310 nan 0.000 0.526 3330 N N 1.968 120.684 118.700 0.026 0.000 2.711 3330 N HA 0.401 5.131 4.740 -0.016 0.000 0.263 3330 N C -3.278 172.243 175.510 0.018 0.000 1.667 3330 N CA -1.000 52.064 53.050 0.024 0.000 0.785 3330 N CB 1.550 40.048 38.487 0.018 0.000 1.231 3330 N HN 0.230 nan 8.380 nan 0.000 0.503 3331 P HA 0.116 nan 4.420 nan 0.000 0.271 3331 P C 0.068 177.376 177.300 0.014 0.000 1.218 3331 P CA -0.128 62.982 63.100 0.016 0.000 0.780 3331 P CB 1.168 32.879 31.700 0.019 0.000 0.901 3332 N N 0.333 119.040 118.700 0.010 0.000 2.135 3332 N HA 0.183 4.913 4.740 -0.016 0.000 0.237 3332 N C 0.111 175.626 175.510 0.009 0.000 1.267 3332 N CA 0.510 53.565 53.050 0.008 0.000 0.953 3332 N CB -0.015 38.474 38.487 0.005 0.000 1.094 3332 N HN 0.639 nan 8.380 nan 0.000 0.414 4002 I N 1.522 122.092 120.570 -0.001 0.000 2.406 4002 I HA -0.051 4.110 4.170 -0.016 0.000 0.249 4002 I C 1.918 178.034 176.117 -0.001 0.000 1.122 4002 I CA 1.666 62.966 61.300 -0.000 0.000 1.431 4002 I CB -0.117 37.883 38.000 -0.001 0.000 1.087 4002 I HN 0.482 nan 8.210 nan 0.000 0.424 4003 D N 0.449 120.848 120.400 -0.002 0.000 2.354 4003 D HA -0.090 4.540 4.640 -0.016 0.000 0.209 4003 D C 1.575 177.873 176.300 -0.002 0.000 1.015 4003 D CA 0.531 54.530 54.000 -0.003 0.000 0.867 4003 D CB -0.186 40.611 40.800 -0.004 0.000 0.933 4003 D HN 0.355 nan 8.370 nan 0.000 0.520 4004 E N -0.066 120.133 120.200 -0.002 0.000 2.299 4004 E HA 0.034 4.374 4.350 -0.016 0.000 0.193 4004 E C 1.474 178.074 176.600 -0.000 0.000 0.998 4004 E CA 0.125 56.525 56.400 -0.001 0.000 0.851 4004 E CB 0.132 29.831 29.700 -0.001 0.000 0.795 4004 E HN 0.145 nan 8.360 nan 0.000 0.492 4005 N N 0.893 119.594 118.700 0.000 0.000 2.216 4005 N HA -0.080 4.651 4.740 -0.016 0.000 0.183 4005 N C 1.374 176.885 175.510 0.001 0.000 1.017 4005 N CA 0.814 53.865 53.050 0.001 0.000 0.861 4005 N CB 0.087 38.575 38.487 0.002 0.000 0.986 4005 N HN 0.110 nan 8.380 nan 0.000 0.428 4006 K N 1.076 121.476 120.400 0.000 0.000 2.002 4006 K HA -0.095 4.216 4.320 -0.016 0.000 0.209 4006 K C 2.032 178.632 176.600 0.000 0.000 1.048 4006 K CA 1.162 57.449 56.287 -0.000 0.000 0.930 4006 K CB -0.091 32.408 32.500 -0.002 0.000 0.714 4006 K HN 0.259 nan 8.250 nan 0.000 0.438 4007 Q N 0.591 120.391 119.800 -0.000 0.000 2.119 4007 Q HA -0.157 4.174 4.340 -0.016 0.000 0.201 4007 Q C 2.166 178.167 176.000 0.001 0.000 0.972 4007 Q CA 1.165 56.968 55.803 0.000 0.000 0.847 4007 Q CB 0.000 28.738 28.738 -0.001 0.000 0.903 4007 Q HN 0.208 nan 8.270 nan 0.000 0.433 4008 K N 0.767 121.168 120.400 0.001 0.000 2.002 4008 K HA -0.163 4.148 4.320 -0.016 0.000 0.209 4008 K C 1.964 178.565 176.600 0.003 0.000 1.048 4008 K CA 1.426 57.714 56.287 0.002 0.000 0.930 4008 K CB -0.155 32.346 32.500 0.002 0.000 0.714 4008 K HN 0.152 nan 8.250 nan 0.000 0.438 4009 A N 1.382 124.204 122.820 0.003 0.000 1.969 4009 A HA -0.101 4.209 4.320 -0.016 0.000 0.218 4009 A C 2.068 179.656 177.584 0.005 0.000 1.169 4009 A CA 1.034 53.073 52.037 0.004 0.000 0.635 4009 A CB -0.456 18.546 19.000 0.004 0.000 0.810 4009 A HN 0.394 nan 8.150 nan 0.000 0.445 4010 L N -0.118 121.107 121.223 0.004 0.000 1.994 4010 L HA -0.043 4.288 4.340 -0.016 0.000 0.208 4010 L C 2.711 179.586 176.870 0.008 0.000 1.071 4010 L CA 2.263 57.107 54.840 0.005 0.000 0.745 4010 L CB -0.841 41.220 42.059 0.003 0.000 0.892 4010 L HN 0.321 nan 8.230 nan 0.000 0.431 4011 A N -0.468 122.355 122.820 0.006 0.000 1.908 4011 A HA -0.179 4.131 4.320 -0.016 0.000 0.218 4011 A C 2.434 180.023 177.584 0.008 0.000 1.181 4011 A CA 2.111 54.152 52.037 0.007 0.000 0.627 4011 A CB -1.256 17.747 19.000 0.005 0.000 0.818 4011 A HN 0.617 nan 8.150 nan 0.000 0.445 4012 A N -0.261 122.564 122.820 0.007 0.000 1.877 4012 A HA 0.177 4.487 4.320 -0.016 0.000 0.216 4012 A C 2.533 180.123 177.584 0.010 0.000 1.186 4012 A CA 2.134 54.175 52.037 0.007 0.000 0.620 4012 A CB -1.068 17.935 19.000 0.005 0.000 0.822 4012 A HN 1.085 nan 8.150 nan 0.000 0.443 4013 A N -0.742 122.086 122.820 0.013 0.000 1.902 4013 A HA 0.004 4.315 4.320 -0.016 0.000 0.217 4013 A C 2.042 179.644 177.584 0.030 0.000 1.181 4013 A CA 1.683 53.733 52.037 0.021 0.000 0.623 4013 A CB -0.565 18.447 19.000 0.020 0.000 0.818 4013 A HN 0.388 nan 8.150 nan 0.000 0.443 4014 L N -0.041 121.197 121.223 0.026 0.000 2.012 4014 L HA -0.094 4.236 4.340 -0.016 0.000 0.210 4014 L C 2.771 179.661 176.870 0.033 0.000 1.073 4014 L CA 2.043 56.902 54.840 0.032 0.000 0.748 4014 L CB -1.272 40.801 42.059 0.023 0.000 0.891 4014 L HN 0.401 nan 8.230 nan 0.000 0.431 4015 G N -1.752 107.060 108.800 0.020 0.000 2.442 4015 G HA2 -0.359 3.592 3.960 -0.016 0.000 0.219 4015 G HA3 -0.359 3.592 3.960 -0.016 0.000 0.219 4015 G C 1.574 176.480 174.900 0.009 0.000 1.141 4015 G CA 0.949 46.057 45.100 0.013 0.000 0.763 4015 G HN 0.394 nan 8.290 nan 0.000 0.554 4016 Q N 0.300 120.105 119.800 0.008 0.000 2.050 4016 Q HA 0.011 4.341 4.340 -0.016 0.000 0.202 4016 Q C 2.436 178.434 176.000 -0.005 0.000 0.980 4016 Q CA 1.247 57.046 55.803 -0.007 0.000 0.840 4016 Q CB -0.365 28.373 28.738 -0.000 0.000 0.898 4016 Q HN 0.554 nan 8.270 nan 0.000 0.424 4017 I N 0.428 121.035 120.570 0.061 0.000 2.208 4017 I HA -0.275 3.885 4.170 -0.016 0.000 0.245 4017 I C 2.154 178.364 176.117 0.156 0.000 1.097 4017 I CA 1.516 62.918 61.300 0.171 0.000 1.363 4017 I CB -0.295 37.822 38.000 0.195 0.000 1.051 4017 I HN 0.311 nan 8.210 nan 0.000 0.413 4018 E N 0.532 120.784 120.200 0.086 0.000 2.106 4018 E HA -0.243 4.097 4.350 -0.016 0.000 0.192 4018 E C 2.140 178.751 176.600 0.019 0.000 0.984 4018 E CA 0.891 57.331 56.400 0.068 0.000 0.806 4018 E CB -0.067 29.661 29.700 0.046 0.000 0.750 4018 E HN 0.389 nan 8.360 nan 0.000 0.458 4019 K N 0.945 121.333 120.400 -0.021 0.000 2.057 4019 K HA -0.182 4.128 4.320 -0.016 0.000 0.207 4019 K C 2.181 178.704 176.600 -0.128 0.000 1.049 4019 K CA 1.237 57.491 56.287 -0.057 0.000 0.931 4019 K CB 0.106 32.573 32.500 -0.055 0.000 0.714 4019 K HN 0.064 nan 8.250 nan 0.000 0.440 4020 Q N -1.171 118.482 119.800 -0.245 0.000 2.083 4020 Q HA -0.080 4.250 4.340 -0.016 0.000 0.198 4020 Q C 0.882 176.514 176.000 -0.613 0.000 0.969 4020 Q CA 1.285 56.758 55.803 -0.551 0.000 0.838 4020 Q CB 0.233 28.391 28.738 -0.967 0.000 0.900 4020 Q HN 0.251 nan 8.270 nan 0.000 0.436 4021 F N -1.026 118.929 119.950 0.008 0.000 2.688 4021 F HA 0.390 4.907 4.527 -0.016 0.000 0.310 4021 F C 0.723 176.530 175.800 0.012 0.000 1.098 4021 F CA 0.283 58.289 58.000 0.010 0.000 1.228 4021 F CB 1.105 40.111 39.000 0.011 0.000 1.042 4021 F HN 0.022 nan 8.300 nan 0.000 0.557 4022 G N 0.367 109.237 108.800 0.117 0.000 2.663 4022 G HA2 -0.162 3.788 3.960 -0.016 0.000 0.686 4022 G HA3 -0.162 3.788 3.960 -0.016 0.000 0.686 4022 G C 0.561 175.506 174.900 0.076 0.000 1.288 4022 G CA -0.751 44.397 45.100 0.081 0.000 0.836 4022 G HN -0.101 nan 8.290 nan 0.000 0.584 4023 K N 0.229 120.660 120.400 0.052 0.000 1.974 4023 K HA -0.148 4.162 4.320 -0.016 0.000 0.231 4023 K C 2.434 179.063 176.600 0.049 0.000 1.035 4023 K CA 2.151 58.463 56.287 0.043 0.000 1.044 4023 K CB -0.990 31.530 32.500 0.033 0.000 0.738 4023 K HN 1.216 nan 8.250 nan 0.000 0.447 4024 G N 1.113 109.942 108.800 0.047 0.000 3.332 4024 G HA2 -0.005 3.945 3.960 -0.016 0.000 0.242 4024 G HA3 -0.005 3.945 3.960 -0.016 0.000 0.242 4024 G C 1.149 176.078 174.900 0.048 0.000 1.276 4024 G CA 0.549 45.674 45.100 0.042 0.000 0.988 4024 G HN 0.387 nan 8.290 nan 0.000 0.517 4025 S N -0.552 115.188 115.700 0.066 0.000 2.453 4025 S HA 0.166 4.627 4.470 -0.016 0.000 0.231 4025 S C 0.676 175.301 174.600 0.042 0.000 1.005 4025 S CA 0.132 58.373 58.200 0.067 0.000 0.949 4025 S CB 0.272 63.550 63.200 0.130 0.000 0.774 4025 S HN 0.372 nan 8.310 nan 0.000 0.510 4026 I N 1.119 121.716 120.570 0.046 0.000 2.692 4026 I HA 0.588 4.749 4.170 -0.016 0.000 0.293 4026 I C -1.337 174.797 176.117 0.028 0.000 1.200 4026 I CA -1.221 60.098 61.300 0.031 0.000 1.036 4026 I CB 1.950 39.971 38.000 0.035 0.000 1.258 4026 I HN 0.391 nan 8.210 nan 0.000 0.421 4027 M N 4.165 123.778 119.600 0.021 0.000 2.880 4027 M HA 0.585 5.055 4.480 -0.016 0.000 0.269 4027 M C -1.255 175.052 176.300 0.012 0.000 1.248 4027 M CA -1.083 54.227 55.300 0.017 0.000 0.821 4027 M CB 1.463 34.073 32.600 0.016 0.000 1.650 4027 M HN 0.316 nan 8.290 nan 0.000 0.479 4028 R N 1.134 121.639 120.500 0.007 0.000 2.489 4028 R HA 0.253 4.584 4.340 -0.016 0.000 0.287 4028 R C 0.969 177.267 176.300 -0.004 0.000 1.053 4028 R CA -0.078 56.023 56.100 0.001 0.000 1.036 4028 R CB 0.227 30.526 30.300 -0.002 0.000 0.966 4028 R HN 0.691 nan 8.270 nan 0.000 0.432 4029 L N 2.351 123.567 121.223 -0.012 0.000 2.013 4029 L HA -0.184 4.146 4.340 -0.016 0.000 0.212 4029 L C 1.917 178.774 176.870 -0.022 0.000 1.073 4029 L CA 2.125 56.950 54.840 -0.024 0.000 0.753 4029 L CB -0.532 41.498 42.059 -0.049 0.000 0.890 4029 L HN 1.005 nan 8.230 nan 0.000 0.432 4030 G N -0.208 108.579 108.800 -0.021 0.000 2.485 4030 G HA2 -0.269 3.681 3.960 -0.016 0.000 0.221 4030 G HA3 -0.269 3.681 3.960 -0.016 0.000 0.221 4030 G C 1.120 176.013 174.900 -0.011 0.000 1.115 4030 G CA 0.958 46.047 45.100 -0.018 0.000 0.751 4030 G HN 0.721 nan 8.290 nan 0.000 0.567 4031 E N -0.218 119.977 120.200 -0.007 0.000 2.548 4031 E HA 0.110 4.451 4.350 -0.016 0.000 0.206 4031 E C -0.481 176.119 176.600 0.000 0.000 1.005 4031 E CA -0.424 55.974 56.400 -0.003 0.000 0.951 4031 E CB 0.350 30.050 29.700 -0.001 0.000 1.035 4031 E HN 0.132 nan 8.360 nan 0.000 0.470 4032 D N 1.812 122.211 120.400 -0.001 0.000 2.411 4032 D HA 0.080 4.710 4.640 -0.016 0.000 0.225 4032 D C 0.759 177.061 176.300 0.004 0.000 1.156 4032 D CA -0.317 53.685 54.000 0.003 0.000 0.874 4032 D CB 0.705 41.507 40.800 0.003 0.000 1.034 4032 D HN -0.094 nan 8.370 nan 0.000 0.502 4033 R N 1.459 121.963 120.500 0.007 0.000 2.148 4033 R HA -0.087 4.244 4.340 -0.016 0.000 0.227 4033 R C 1.858 178.165 176.300 0.011 0.000 1.103 4033 R CA 0.716 56.820 56.100 0.007 0.000 0.983 4033 R CB -0.798 29.506 30.300 0.007 0.000 0.874 4033 R HN 0.466 nan 8.270 nan 0.000 0.451 4034 S N -0.716 114.994 115.700 0.016 0.000 2.603 4034 S HA -0.060 4.400 4.470 -0.016 0.000 0.229 4034 S C 1.684 176.299 174.600 0.025 0.000 0.972 4034 S CA 0.581 58.795 58.200 0.023 0.000 0.935 4034 S CB 0.005 63.224 63.200 0.031 0.000 0.769 4034 S HN 0.117 nan 8.310 nan 0.000 0.536 4035 M N 1.540 121.150 119.600 0.016 0.000 2.414 4035 M HA 0.319 4.789 4.480 -0.016 0.000 0.251 4035 M C -0.746 175.558 176.300 0.008 0.000 1.116 4035 M CA 0.065 55.372 55.300 0.012 0.000 1.056 4035 M CB 0.226 32.825 32.600 -0.002 0.000 1.388 4035 M HN 0.016 nan 8.290 nan 0.000 0.487 4036 D N 0.743 121.148 120.400 0.007 0.000 2.414 4036 D HA 0.070 4.701 4.640 -0.016 0.000 0.242 4036 D C -0.427 175.877 176.300 0.007 0.000 1.129 4036 D CA 0.208 54.211 54.000 0.006 0.000 0.885 4036 D CB 1.002 41.805 40.800 0.005 0.000 1.198 4036 D HN -0.110 nan 8.370 nan 0.000 0.437 4037 V N 2.713 122.630 119.914 0.005 0.000 2.432 4037 V HA 0.096 4.207 4.120 -0.016 0.000 0.271 4037 V C 0.607 176.702 176.094 0.001 0.000 1.046 4037 V CA -0.077 62.225 62.300 0.003 0.000 0.945 4037 V CB 0.806 32.627 31.823 -0.003 0.000 0.992 4037 V HN 0.419 nan 8.190 nan 0.000 0.471 4038 E N 3.595 123.796 120.200 0.001 0.000 2.212 4038 E HA 0.622 4.963 4.350 -0.016 0.000 0.268 4038 E C -0.577 176.020 176.600 -0.006 0.000 0.902 4038 E CA -0.493 55.906 56.400 -0.002 0.000 0.779 4038 E CB 2.142 31.842 29.700 -0.001 0.000 1.172 4038 E HN 0.794 nan 8.360 nan 0.000 0.409 4039 T N 0.976 115.525 114.554 -0.008 0.000 2.930 4039 T HA 0.608 4.949 4.350 -0.016 0.000 0.290 4039 T C -0.337 174.355 174.700 -0.015 0.000 1.052 4039 T CA -0.865 61.227 62.100 -0.012 0.000 1.017 4039 T CB 1.100 69.960 68.868 -0.013 0.000 1.137 4039 T HN 0.256 nan 8.240 nan 0.000 0.511 4040 I N 1.805 122.364 120.570 -0.018 0.000 2.569 4040 I HA 0.447 4.608 4.170 -0.016 0.000 0.296 4040 I C 0.765 176.867 176.117 -0.025 0.000 1.028 4040 I CA -0.731 60.556 61.300 -0.023 0.000 1.082 4040 I CB 1.849 39.835 38.000 -0.024 0.000 1.264 4040 I HN 0.967 nan 8.210 nan 0.000 0.429 4041 S N 2.712 118.394 115.700 -0.031 0.000 2.568 4041 S HA 0.073 4.534 4.470 -0.016 0.000 0.282 4041 S C 1.314 175.890 174.600 -0.040 0.000 1.338 4041 S CA 0.367 58.547 58.200 -0.034 0.000 1.045 4041 S CB 0.442 63.617 63.200 -0.043 0.000 0.873 4041 S HN 0.795 nan 8.310 nan 0.000 0.516 4042 T N 1.057 115.585 114.554 -0.043 0.000 3.081 4042 T HA 0.359 4.700 4.350 -0.016 0.000 0.250 4042 T C 1.491 176.141 174.700 -0.083 0.000 1.100 4042 T CA 0.665 62.733 62.100 -0.053 0.000 1.038 4042 T CB -0.349 68.489 68.868 -0.051 0.000 0.962 4042 T HN 1.621 nan 8.240 nan 0.000 0.516 4043 G N 0.846 109.595 108.800 -0.085 0.000 2.241 4043 G HA2 -0.251 3.699 3.960 -0.016 0.000 0.244 4043 G HA3 -0.251 3.699 3.960 -0.016 0.000 0.244 4043 G C 0.231 175.063 174.900 -0.113 0.000 0.998 4043 G CA 0.235 45.273 45.100 -0.105 0.000 0.621 4043 G HN 1.115 nan 8.290 nan 0.000 0.519 4044 S N -0.104 115.484 115.700 -0.187 0.000 2.449 4044 S HA 0.632 5.093 4.470 -0.016 0.000 0.310 4044 S C 1.184 175.718 174.600 -0.110 0.000 1.096 4044 S CA 0.089 58.118 58.200 -0.284 0.000 1.095 4044 S CB 1.556 64.340 63.200 -0.693 0.000 1.007 4044 S HN 1.035 nan 8.310 nan 0.000 0.474 4045 L N 5.753 126.922 121.223 -0.090 0.000 2.056 4045 L HA 0.036 4.366 4.340 -0.016 0.000 0.207 4045 L C 2.535 179.372 176.870 -0.055 0.000 1.078 4045 L CA 2.702 57.502 54.840 -0.067 0.000 0.749 4045 L CB -1.018 40.908 42.059 -0.222 0.000 0.901 4045 L HN 0.903 nan 8.230 nan 0.000 0.433 4046 S N -1.200 114.470 115.700 -0.050 0.000 2.402 4046 S HA -0.167 4.293 4.470 -0.016 0.000 0.229 4046 S C 2.100 176.728 174.600 0.046 0.000 1.021 4046 S CA 1.188 59.398 58.200 0.016 0.000 0.974 4046 S CB -0.921 62.318 63.200 0.066 0.000 0.800 4046 S HN 0.497 nan 8.310 nan 0.000 0.484 4047 L N 1.440 122.690 121.223 0.046 0.000 2.027 4047 L HA -0.114 4.217 4.340 -0.016 0.000 0.206 4047 L C 2.018 178.896 176.870 0.013 0.000 1.074 4047 L CA 2.021 56.891 54.840 0.051 0.000 0.745 4047 L CB -0.676 41.407 42.059 0.041 0.000 0.898 4047 L HN 0.245 nan 8.230 nan 0.000 0.433 4048 D N 0.114 120.510 120.400 -0.006 0.000 2.158 4048 D HA -0.214 4.416 4.640 -0.016 0.000 0.197 4048 D C 2.124 178.424 176.300 0.000 0.000 0.995 4048 D CA 1.368 55.365 54.000 -0.006 0.000 0.846 4048 D CB -0.104 40.694 40.800 -0.002 0.000 0.941 4048 D HN 0.377 nan 8.370 nan 0.000 0.456 4049 I N 0.763 121.336 120.570 0.005 0.000 2.286 4049 I HA -0.202 3.959 4.170 -0.016 0.000 0.245 4049 I C 2.434 178.558 176.117 0.012 0.000 1.104 4049 I CA 0.906 62.212 61.300 0.009 0.000 1.397 4049 I CB -0.165 37.841 38.000 0.011 0.000 1.072 4049 I HN -0.079 nan 8.210 nan 0.000 0.417 4050 A N 0.737 123.567 122.820 0.017 0.000 1.940 4050 A HA -0.160 4.151 4.320 -0.016 0.000 0.219 4050 A C 2.219 179.799 177.584 -0.007 0.000 1.176 4050 A CA 1.415 53.462 52.037 0.016 0.000 0.631 4050 A CB -0.900 18.118 19.000 0.030 0.000 0.814 4050 A HN 0.414 nan 8.150 nan 0.000 0.446 4051 L N -1.354 119.861 121.223 -0.013 0.000 2.549 4051 L HA 0.041 4.372 4.340 -0.016 0.000 0.229 4051 L C 2.135 178.982 176.870 -0.039 0.000 1.158 4051 L CA 0.632 55.452 54.840 -0.035 0.000 0.842 4051 L CB -0.376 41.666 42.059 -0.029 0.000 0.952 4051 L HN 0.642 nan 8.230 nan 0.000 0.452 4052 G N -0.189 108.599 108.800 -0.020 0.000 2.609 4052 G HA2 -0.439 3.512 3.960 -0.016 0.000 0.235 4052 G HA3 -0.439 3.512 3.960 -0.016 0.000 0.235 4052 G C 1.065 175.959 174.900 -0.010 0.000 1.177 4052 G CA 0.509 45.601 45.100 -0.014 0.000 0.707 4052 G HN 0.467 nan 8.290 nan 0.000 0.513 4053 A N 0.345 123.153 122.820 -0.019 0.000 2.275 4053 A HA 0.578 4.889 4.320 -0.016 0.000 0.212 4053 A C 2.507 180.086 177.584 -0.008 0.000 1.201 4053 A CA 1.844 53.873 52.037 -0.013 0.000 0.843 4053 A CB -0.433 18.554 19.000 -0.022 0.000 0.873 4053 A HN 2.600 nan 8.150 nan 0.000 0.492 4054 G N -2.870 105.926 108.800 -0.008 0.000 2.176 4054 G HA2 0.280 4.231 3.960 -0.016 0.000 0.232 4054 G HA3 0.280 4.231 3.960 -0.016 0.000 0.232 4054 G C 0.895 175.790 174.900 -0.009 0.000 0.986 4054 G CA 0.344 45.442 45.100 -0.004 0.000 0.643 4054 G HN 2.126 nan 8.290 nan 0.000 0.522 4055 G N -1.426 107.366 108.800 -0.014 0.000 2.333 4055 G HA2 0.513 4.463 3.960 -0.016 0.000 0.288 4055 G HA3 0.513 4.463 3.960 -0.016 0.000 0.288 4055 G C -0.890 173.998 174.900 -0.020 0.000 1.286 4055 G CA -0.461 44.629 45.100 -0.017 0.000 0.865 4055 G HN 0.860 nan 8.290 nan 0.000 0.506 4056 L N 2.034 123.245 121.223 -0.019 0.000 2.371 4056 L HA 0.441 4.772 4.340 -0.016 0.000 0.272 4056 L C -1.840 175.021 176.870 -0.015 0.000 1.124 4056 L CA -1.682 53.148 54.840 -0.017 0.000 0.816 4056 L CB 1.565 43.615 42.059 -0.015 0.000 1.129 4056 L HN 0.304 nan 8.230 nan 0.000 0.448 4057 P HA 0.169 nan 4.420 nan 0.000 0.286 4057 P C -0.737 176.562 177.300 -0.003 0.000 1.269 4057 P CA -0.560 62.535 63.100 -0.008 0.000 0.787 4057 P CB 0.950 32.645 31.700 -0.008 0.000 0.920 4058 M N 1.937 121.536 119.600 -0.003 0.000 2.245 4058 M HA 0.207 4.678 4.480 -0.016 0.000 0.344 4058 M C 1.583 177.888 176.300 0.008 0.000 1.170 4058 M CA 0.857 56.156 55.300 -0.002 0.000 1.135 4058 M CB -0.786 31.812 32.600 -0.003 0.000 1.574 4058 M HN 0.835 nan 8.290 nan 0.000 0.452 4059 G N 2.416 111.220 108.800 0.006 0.000 2.143 4059 G HA2 -0.207 3.744 3.960 -0.016 0.000 0.248 4059 G HA3 -0.207 3.744 3.960 -0.016 0.000 0.248 4059 G C 0.167 175.087 174.900 0.033 0.000 0.991 4059 G CA -0.016 45.094 45.100 0.017 0.000 0.689 4059 G HN 0.557 nan 8.290 nan 0.000 0.522 4060 R N -1.000 119.518 120.500 0.030 0.000 2.930 4060 R HA 0.765 5.095 4.340 -0.016 0.000 0.257 4060 R C 0.084 176.417 176.300 0.054 0.000 1.107 4060 R CA -1.102 55.029 56.100 0.053 0.000 0.999 4060 R CB 0.825 31.152 30.300 0.045 0.000 1.209 4060 R HN 0.200 nan 8.270 nan 0.000 0.486 4061 I N 0.721 121.350 120.570 0.098 0.000 2.392 4061 I HA 0.398 4.558 4.170 -0.016 0.000 0.295 4061 I C -0.279 175.912 176.117 0.123 0.000 0.985 4061 I CA -0.913 60.467 61.300 0.133 0.000 1.221 4061 I CB 1.866 40.005 38.000 0.232 0.000 1.366 4061 I HN -0.037 nan 8.210 nan 0.000 0.467 4062 V N 5.205 125.189 119.914 0.117 0.000 2.735 4062 V HA 0.383 4.494 4.120 -0.016 0.000 0.310 4062 V C -0.458 175.733 176.094 0.162 0.000 1.061 4062 V CA -0.646 61.714 62.300 0.101 0.000 0.913 4062 V CB 2.148 33.998 31.823 0.043 0.000 1.005 4062 V HN 0.732 nan 8.190 nan 0.000 0.428 4063 E N 3.577 123.871 120.200 0.157 0.000 2.199 4063 E HA 0.674 5.015 4.350 -0.016 0.000 0.269 4063 E C -1.616 175.078 176.600 0.155 0.000 0.899 4063 E CA -0.630 55.888 56.400 0.197 0.000 0.772 4063 E CB 1.819 31.642 29.700 0.205 0.000 1.155 4063 E HN 0.620 nan 8.360 nan 0.000 0.408 4064 I N 5.042 125.705 120.570 0.155 0.000 2.436 4064 I HA 0.356 4.517 4.170 -0.016 0.000 0.289 4064 I C -1.020 175.194 176.117 0.161 0.000 1.010 4064 I CA -0.971 60.381 61.300 0.086 0.000 1.098 4064 I CB 1.012 39.048 38.000 0.060 0.000 1.266 4064 I HN 0.489 nan 8.210 nan 0.000 0.434 4065 Y N 3.892 124.223 120.300 0.052 0.000 2.581 4065 Y HA 0.996 5.537 4.550 -0.016 0.000 0.345 4065 Y C -0.267 175.658 175.900 0.042 0.000 1.036 4065 Y CA -1.107 57.020 58.100 0.045 0.000 1.042 4065 Y CB 1.984 40.464 38.460 0.033 0.000 1.289 4065 Y HN 0.700 nan 8.280 nan 0.000 0.471 4066 G N 0.842 109.778 108.800 0.227 0.000 2.328 4066 G HA2 0.453 4.403 3.960 -0.016 0.000 0.295 4066 G HA3 0.453 4.403 3.960 -0.016 0.000 0.295 4066 G C -3.517 171.456 174.900 0.121 0.000 1.413 4066 G CA -1.313 43.865 45.100 0.130 0.000 0.817 4066 G HN 0.509 nan 8.290 nan 0.000 0.546 4067 P HA 0.284 nan 4.420 nan 0.000 0.272 4067 P C -0.270 177.064 177.300 0.056 0.000 1.254 4067 P CA -0.252 62.888 63.100 0.065 0.000 0.795 4067 P CB 0.231 31.960 31.700 0.048 0.000 1.022 4068 E N -0.671 119.555 120.200 0.044 0.000 2.413 4068 E HA 0.206 4.547 4.350 -0.016 0.000 0.263 4068 E C 0.095 176.715 176.600 0.033 0.000 1.015 4068 E CA -0.149 56.274 56.400 0.038 0.000 0.916 4068 E CB -0.588 29.127 29.700 0.025 0.000 0.947 4068 E HN 0.274 nan 8.360 nan 0.000 0.440 4069 S N 0.604 116.324 115.700 0.033 0.000 3.521 4069 S HA -0.223 4.237 4.470 -0.016 0.000 0.328 4069 S C 0.961 175.592 174.600 0.053 0.000 1.165 4069 S CA 0.989 59.208 58.200 0.030 0.000 0.941 4069 S CB -1.822 61.380 63.200 0.004 0.000 0.951 4069 S HN 0.732 nan 8.310 nan 0.000 0.539 4070 S N -0.205 115.529 115.700 0.057 0.000 2.528 4070 S HA 0.433 4.894 4.470 -0.016 0.000 0.219 4070 S C 1.516 176.163 174.600 0.078 0.000 0.985 4070 S CA 0.781 59.014 58.200 0.054 0.000 0.914 4070 S CB 0.494 63.717 63.200 0.038 0.000 0.776 4070 S HN 1.984 nan 8.310 nan 0.000 0.526 4071 G N 1.260 110.122 108.800 0.103 0.000 2.145 4071 G HA2 -0.176 3.774 3.960 -0.016 0.000 0.145 4071 G HA3 -0.176 3.774 3.960 -0.016 0.000 0.145 4071 G C 0.586 175.572 174.900 0.144 0.000 1.017 4071 G CA 0.094 45.281 45.100 0.145 0.000 0.682 4071 G HN 0.433 nan 8.290 nan 0.000 0.504 4072 K N -0.171 120.301 120.400 0.119 0.000 1.985 4072 K HA -0.060 4.250 4.320 -0.016 0.000 0.210 4072 K C 2.561 179.247 176.600 0.143 0.000 1.047 4072 K CA 1.938 58.296 56.287 0.118 0.000 0.932 4072 K CB -0.388 32.177 32.500 0.107 0.000 0.716 4072 K HN 0.273 nan 8.250 nan 0.000 0.439 4073 T N 0.981 115.633 114.554 0.162 0.000 2.674 4073 T HA -0.150 4.191 4.350 -0.016 0.000 0.265 4073 T C 2.004 176.822 174.700 0.197 0.000 1.039 4073 T CA 1.928 64.155 62.100 0.213 0.000 1.150 4073 T CB -0.515 68.481 68.868 0.213 0.000 0.864 4073 T HN 0.286 nan 8.240 nan 0.000 0.427 4074 T N 2.673 117.342 114.554 0.192 0.000 2.597 4074 T HA -0.130 4.210 4.350 -0.016 0.000 0.267 4074 T C 1.864 176.643 174.700 0.131 0.000 1.053 4074 T CA 1.199 63.413 62.100 0.189 0.000 1.165 4074 T CB -0.654 68.356 68.868 0.237 0.000 0.863 4074 T HN 0.199 nan 8.240 nan 0.000 0.427 4075 L N 0.347 121.651 121.223 0.135 0.000 1.989 4075 L HA -0.205 4.126 4.340 -0.016 0.000 0.211 4075 L C 2.710 179.622 176.870 0.070 0.000 1.071 4075 L CA 1.852 56.748 54.840 0.093 0.000 0.749 4075 L CB -0.917 41.212 42.059 0.117 0.000 0.890 4075 L HN 0.332 nan 8.230 nan 0.000 0.431 4076 T N 0.443 115.059 114.554 0.104 0.000 2.699 4076 T HA -0.242 4.098 4.350 -0.016 0.000 0.268 4076 T C 1.885 176.658 174.700 0.122 0.000 1.036 4076 T CA 1.718 63.888 62.100 0.117 0.000 1.147 4076 T CB -0.243 68.727 68.868 0.169 0.000 0.862 4076 T HN 0.281 nan 8.240 nan 0.000 0.446 4077 L N 0.632 121.927 121.223 0.119 0.000 2.156 4077 L HA -0.067 4.263 4.340 -0.016 0.000 0.208 4077 L C 2.953 179.824 176.870 0.002 0.000 1.095 4077 L CA 0.891 55.764 54.840 0.055 0.000 0.770 4077 L CB -0.467 41.595 42.059 0.004 0.000 0.914 4077 L HN 0.222 nan 8.230 nan 0.000 0.439 4078 Q N -0.384 119.414 119.800 -0.004 0.000 2.119 4078 Q HA -0.172 4.159 4.340 -0.016 0.000 0.201 4078 Q C 2.439 178.413 176.000 -0.043 0.000 0.972 4078 Q CA 1.803 57.581 55.803 -0.041 0.000 0.847 4078 Q CB -0.548 28.157 28.738 -0.055 0.000 0.903 4078 Q HN 0.539 nan 8.270 nan 0.000 0.433 4079 V N -0.103 119.799 119.914 -0.019 0.000 2.358 4079 V HA -0.206 3.904 4.120 -0.016 0.000 0.246 4079 V C 2.103 178.186 176.094 -0.018 0.000 1.047 4079 V CA 1.187 63.474 62.300 -0.023 0.000 1.035 4079 V CB -0.489 31.326 31.823 -0.014 0.000 0.658 4079 V HN 0.226 nan 8.190 nan 0.000 0.452 4080 I N 1.113 121.685 120.570 0.005 0.000 2.151 4080 I HA -0.242 3.919 4.170 -0.016 0.000 0.243 4080 I C 2.951 179.054 176.117 -0.023 0.000 1.080 4080 I CA 1.966 63.269 61.300 0.006 0.000 1.339 4080 I CB -0.802 37.225 38.000 0.044 0.000 1.039 4080 I HN 0.448 nan 8.210 nan 0.000 0.409 4081 A N 0.644 123.440 122.820 -0.040 0.000 1.883 4081 A HA -0.226 4.085 4.320 -0.016 0.000 0.217 4081 A C 2.542 180.085 177.584 -0.069 0.000 1.186 4081 A CA 2.109 54.109 52.037 -0.061 0.000 0.624 4081 A CB -0.990 17.962 19.000 -0.079 0.000 0.822 4081 A HN 0.461 nan 8.150 nan 0.000 0.444 4082 A N -0.248 122.527 122.820 -0.074 0.000 1.902 4082 A HA 0.130 4.441 4.320 -0.016 0.000 0.217 4082 A C 2.522 180.068 177.584 -0.064 0.000 1.181 4082 A CA 2.263 54.250 52.037 -0.083 0.000 0.623 4082 A CB -1.057 17.891 19.000 -0.087 0.000 0.818 4082 A HN 1.109 nan 8.150 nan 0.000 0.443 4083 A N -0.769 122.022 122.820 -0.048 0.000 1.877 4083 A HA -0.223 4.088 4.320 -0.016 0.000 0.216 4083 A C 2.133 179.695 177.584 -0.037 0.000 1.186 4083 A CA 1.679 53.693 52.037 -0.038 0.000 0.620 4083 A CB -0.604 18.380 19.000 -0.028 0.000 0.822 4083 A HN 0.653 nan 8.150 nan 0.000 0.443 4084 Q N -1.282 118.495 119.800 -0.038 0.000 2.124 4084 Q HA -0.167 4.164 4.340 -0.016 0.000 0.202 4084 Q C 2.287 178.261 176.000 -0.043 0.000 0.977 4084 Q CA 1.467 57.248 55.803 -0.037 0.000 0.850 4084 Q CB -0.144 28.572 28.738 -0.037 0.000 0.901 4084 Q HN 0.567 nan 8.270 nan 0.000 0.429 4085 R N 1.101 121.570 120.500 -0.053 0.000 2.193 4085 R HA -0.122 4.209 4.340 -0.016 0.000 0.229 4085 R C 0.798 177.066 176.300 -0.052 0.000 1.110 4085 R CA 1.105 57.170 56.100 -0.059 0.000 0.988 4085 R CB 0.207 30.460 30.300 -0.079 0.000 0.871 4085 R HN 0.264 nan 8.270 nan 0.000 0.458 4086 E N -1.596 118.576 120.200 -0.047 0.000 2.451 4086 E HA 0.174 4.515 4.350 -0.016 0.000 0.194 4086 E C 0.407 176.989 176.600 -0.031 0.000 1.027 4086 E CA 0.341 56.717 56.400 -0.039 0.000 0.914 4086 E CB 0.941 30.618 29.700 -0.038 0.000 1.054 4086 E HN 0.472 nan 8.360 nan 0.000 0.461 4087 G N 2.186 110.968 108.800 -0.030 0.000 2.143 4087 G HA2 -0.306 3.644 3.960 -0.016 0.000 0.249 4087 G HA3 -0.306 3.644 3.960 -0.016 0.000 0.249 4087 G C 0.193 175.079 174.900 -0.022 0.000 0.981 4087 G CA 0.103 45.188 45.100 -0.025 0.000 0.665 4087 G HN 0.161 nan 8.290 nan 0.000 0.528 4088 K N 0.356 120.742 120.400 -0.023 0.000 2.126 4088 K HA 0.512 4.823 4.320 -0.016 0.000 0.257 4088 K C 0.077 176.666 176.600 -0.018 0.000 1.007 4088 K CA 0.044 56.319 56.287 -0.020 0.000 0.928 4088 K CB 0.678 33.165 32.500 -0.022 0.000 1.013 4088 K HN 0.100 nan 8.250 nan 0.000 0.473 4089 T N 1.307 115.851 114.554 -0.016 0.000 2.794 4089 T HA 0.324 4.664 4.350 -0.016 0.000 0.280 4089 T C -0.469 174.224 174.700 -0.011 0.000 0.987 4089 T CA -0.545 61.547 62.100 -0.013 0.000 0.993 4089 T CB 0.459 69.320 68.868 -0.012 0.000 0.939 4089 T HN 0.530 nan 8.240 nan 0.000 0.449 4090 C N 2.373 121.670 119.300 -0.004 0.000 2.614 4090 C HA 0.978 5.428 4.460 -0.016 0.000 0.320 4090 C C 0.290 175.292 174.990 0.019 0.000 1.200 4090 C CA -0.857 58.164 59.018 0.005 0.000 1.700 4090 C CB 0.999 28.750 27.740 0.018 0.000 2.275 4090 C HN 1.041 nan 8.230 nan 0.000 0.492 4091 A N 1.182 124.014 122.820 0.020 0.000 2.435 4091 A HA 0.876 5.186 4.320 -0.016 0.000 0.304 4091 A C -1.496 176.132 177.584 0.073 0.000 1.064 4091 A CA -0.270 51.789 52.037 0.036 0.000 0.727 4091 A CB 1.068 20.064 19.000 -0.008 0.000 1.284 4091 A HN 0.823 nan 8.150 nan 0.000 0.415 4092 F N 3.066 122.985 119.950 -0.052 0.000 2.499 4092 F HA 0.552 5.069 4.527 -0.016 0.000 0.333 4092 F C -0.785 174.981 175.800 -0.058 0.000 1.138 4092 F CA -0.816 57.152 58.000 -0.053 0.000 0.945 4092 F CB 1.340 40.316 39.000 -0.040 0.000 1.181 4092 F HN 0.372 nan 8.300 nan 0.000 0.435 4093 I N 4.847 125.236 120.570 -0.301 0.000 2.282 4093 I HA 0.113 4.273 4.170 -0.016 0.000 0.290 4093 I C -0.061 175.954 176.117 -0.171 0.000 1.090 4093 I CA -0.325 60.876 61.300 -0.165 0.000 1.231 4093 I CB 0.388 38.286 38.000 -0.170 0.000 1.434 4093 I HN 0.509 nan 8.210 nan 0.000 0.487 4094 D N 5.348 125.785 120.400 0.060 0.000 2.608 4094 D HA 0.309 4.940 4.640 -0.016 0.000 0.224 4094 D C 1.273 177.518 176.300 -0.092 0.000 1.123 4094 D CA -0.017 54.054 54.000 0.118 0.000 1.030 4094 D CB 0.757 41.673 40.800 0.194 0.000 1.093 4094 D HN 0.591 nan 8.370 nan 0.000 0.497 4095 A N 2.390 125.190 122.820 -0.033 0.000 2.015 4095 A HA -0.107 4.203 4.320 -0.016 0.000 0.219 4095 A C 1.923 179.624 177.584 0.196 0.000 1.163 4095 A CA 0.755 52.815 52.037 0.038 0.000 0.646 4095 A CB -0.206 18.832 19.000 0.063 0.000 0.806 4095 A HN 0.514 nan 8.150 nan 0.000 0.448 4096 E N -1.018 119.271 120.200 0.147 0.000 2.427 4096 E HA -0.077 4.264 4.350 -0.016 0.000 0.196 4096 E C -0.544 176.211 176.600 0.259 0.000 1.028 4096 E CA 0.016 56.526 56.400 0.183 0.000 0.864 4096 E CB -0.164 29.616 29.700 0.134 0.000 0.813 4096 E HN 0.696 nan 8.360 nan 0.000 0.514 4097 H N -1.914 117.202 119.070 0.077 0.000 2.677 4097 H HA -0.207 4.339 4.556 -0.016 0.000 0.321 4097 H C -0.080 175.279 175.328 0.051 0.000 1.171 4097 H CA 0.507 56.592 56.048 0.062 0.000 1.139 4097 H CB -1.277 28.510 29.762 0.041 0.000 1.515 4097 H HN 0.236 nan 8.280 nan 0.000 0.423 4098 A N 0.655 123.551 122.820 0.127 0.000 2.622 4098 A HA 0.246 4.556 4.320 -0.016 0.000 0.283 4098 A C 0.231 177.842 177.584 0.046 0.000 0.998 4098 A CA -0.452 51.634 52.037 0.082 0.000 0.985 4098 A CB 0.683 19.730 19.000 0.078 0.000 1.236 4098 A HN 0.148 nan 8.150 nan 0.000 0.559 4099 L N 1.230 122.471 121.223 0.029 0.000 2.360 4099 L HA 0.462 4.792 4.340 -0.016 0.000 0.276 4099 L C -0.547 176.295 176.870 -0.047 0.000 1.121 4099 L CA 0.086 54.894 54.840 -0.053 0.000 0.845 4099 L CB 0.694 42.648 42.059 -0.175 0.000 1.143 4099 L HN 0.219 nan 8.230 nan 0.000 0.452 4100 D N 7.322 127.704 120.400 -0.030 0.000 2.428 4100 D HA 0.297 4.927 4.640 -0.016 0.000 0.221 4100 D C -1.750 174.553 176.300 0.006 0.000 1.123 4100 D CA -2.187 51.814 54.000 0.003 0.000 0.869 4100 D CB 1.441 42.256 40.800 0.026 0.000 1.032 4100 D HN 0.362 nan 8.370 nan 0.000 0.506 4101 P HA -0.159 nan 4.420 nan 0.000 0.215 4101 P C 1.683 178.972 177.300 -0.019 0.000 1.153 4101 P CA 0.593 63.666 63.100 -0.046 0.000 0.853 4101 P CB 0.545 32.220 31.700 -0.041 0.000 0.788 4102 I N -1.512 119.065 120.570 0.012 0.000 2.208 4102 I HA -0.251 3.909 4.170 -0.016 0.000 0.245 4102 I C 2.686 178.833 176.117 0.050 0.000 1.097 4102 I CA 1.455 62.769 61.300 0.023 0.000 1.363 4102 I CB -1.186 36.835 38.000 0.034 0.000 1.051 4102 I HN -0.143 nan 8.210 nan 0.000 0.413 4103 Y N 1.100 121.374 120.300 -0.044 0.000 2.181 4103 Y HA -0.246 4.295 4.550 -0.016 0.000 0.288 4103 Y C 2.473 178.345 175.900 -0.047 0.000 1.146 4103 Y CA 1.353 59.431 58.100 -0.036 0.000 1.164 4103 Y CB -0.613 37.826 38.460 -0.034 0.000 0.982 4103 Y HN 0.147 nan 8.280 nan 0.000 0.515 4104 A N 0.520 123.303 122.820 -0.061 0.000 1.917 4104 A HA -0.248 4.062 4.320 -0.016 0.000 0.219 4104 A C 2.430 179.911 177.584 -0.170 0.000 1.182 4104 A CA 1.907 53.854 52.037 -0.151 0.000 0.633 4104 A CB -0.779 18.132 19.000 -0.148 0.000 0.819 4104 A HN 0.481 nan 8.150 nan 0.000 0.448 4105 R N -0.160 120.265 120.500 -0.125 0.000 2.081 4105 R HA -0.126 4.205 4.340 -0.016 0.000 0.235 4105 R C 2.079 178.298 176.300 -0.135 0.000 1.131 4105 R CA 1.785 57.821 56.100 -0.107 0.000 0.960 4105 R CB -0.279 29.979 30.300 -0.069 0.000 0.856 4105 R HN 0.564 nan 8.270 nan 0.000 0.436 4106 K N 0.305 120.600 120.400 -0.175 0.000 2.152 4106 K HA -0.104 4.207 4.320 -0.016 0.000 0.206 4106 K C 1.801 178.258 176.600 -0.238 0.000 1.048 4106 K CA 1.057 57.227 56.287 -0.194 0.000 0.933 4106 K CB -0.085 32.286 32.500 -0.215 0.000 0.721 4106 K HN 0.242 nan 8.250 nan 0.000 0.447 4107 L N -0.007 121.021 121.223 -0.325 0.000 2.627 4107 L HA 0.079 4.409 4.340 -0.016 0.000 0.233 4107 L C 0.975 177.749 176.870 -0.159 0.000 1.144 4107 L CA 0.324 55.012 54.840 -0.254 0.000 0.892 4107 L CB -0.294 41.592 42.059 -0.288 0.000 1.039 4107 L HN 0.420 nan 8.230 nan 0.000 0.442 4108 G N 0.014 108.730 108.800 -0.139 0.000 2.132 4108 G HA2 -0.237 3.713 3.960 -0.016 0.000 0.234 4108 G HA3 -0.237 3.713 3.960 -0.016 0.000 0.234 4108 G C 0.168 175.011 174.900 -0.095 0.000 0.989 4108 G CA -0.058 44.979 45.100 -0.106 0.000 0.676 4108 G HN 0.116 nan 8.290 nan 0.000 0.522 4109 V N 0.991 120.844 119.914 -0.101 0.000 2.614 4109 V HA 0.346 4.456 4.120 -0.016 0.000 0.291 4109 V C 0.739 176.790 176.094 -0.072 0.000 1.049 4109 V CA -0.044 62.206 62.300 -0.084 0.000 1.038 4109 V CB 1.682 33.448 31.823 -0.095 0.000 0.980 4109 V HN 0.347 nan 8.190 nan 0.000 0.481 4110 D N 4.428 124.793 120.400 -0.058 0.000 2.455 4110 D HA 0.082 4.712 4.640 -0.016 0.000 0.234 4110 D C 1.117 177.390 176.300 -0.046 0.000 1.224 4110 D CA -0.248 53.723 54.000 -0.048 0.000 0.999 4110 D CB 0.318 41.094 40.800 -0.040 0.000 1.072 4110 D HN 0.288 nan 8.370 nan 0.000 0.514 4111 I N 2.398 122.937 120.570 -0.052 0.000 2.194 4111 I HA -0.260 3.900 4.170 -0.016 0.000 0.246 4111 I C 1.553 177.647 176.117 -0.038 0.000 1.093 4111 I CA 1.178 62.447 61.300 -0.051 0.000 1.355 4111 I CB -0.573 37.396 38.000 -0.052 0.000 1.046 4111 I HN 0.387 nan 8.210 nan 0.000 0.413 4112 D N 0.329 120.710 120.400 -0.031 0.000 2.310 4112 D HA -0.104 4.527 4.640 -0.016 0.000 0.212 4112 D C 1.411 177.699 176.300 -0.020 0.000 0.965 4112 D CA 0.756 54.742 54.000 -0.024 0.000 0.879 4112 D CB -0.121 40.666 40.800 -0.022 0.000 0.921 4112 D HN 0.406 nan 8.370 nan 0.000 0.510 4113 N N -0.072 118.615 118.700 -0.021 0.000 2.171 4113 N HA 0.046 4.776 4.740 -0.016 0.000 0.212 4113 N C 0.091 175.594 175.510 -0.012 0.000 1.184 4113 N CA -0.182 52.858 53.050 -0.016 0.000 0.888 4113 N CB 1.485 39.961 38.487 -0.018 0.000 1.038 4113 N HN 0.165 nan 8.380 nan 0.000 0.517 4114 L N 2.667 123.882 121.223 -0.014 0.000 2.325 4114 L HA 0.299 4.629 4.340 -0.016 0.000 0.284 4114 L C -0.253 176.623 176.870 0.009 0.000 1.089 4114 L CA -0.166 54.673 54.840 -0.002 0.000 0.836 4114 L CB 0.269 42.318 42.059 -0.017 0.000 1.184 4114 L HN -0.055 nan 8.230 nan 0.000 0.444 4115 L N 5.276 126.511 121.223 0.020 0.000 2.455 4115 L HA 0.094 4.424 4.340 -0.016 0.000 0.272 4115 L C 0.075 176.976 176.870 0.052 0.000 1.174 4115 L CA 0.176 55.030 54.840 0.023 0.000 0.869 4115 L CB 0.851 42.918 42.059 0.014 0.000 1.130 4115 L HN 0.660 nan 8.230 nan 0.000 0.474 4116 C N 3.006 122.331 119.300 0.043 0.000 2.609 4116 C HA 0.698 5.148 4.460 -0.016 0.000 0.313 4116 C C -0.241 174.774 174.990 0.042 0.000 1.175 4116 C CA -0.344 58.716 59.018 0.069 0.000 1.434 4116 C CB 1.726 29.489 27.740 0.039 0.000 2.005 4116 C HN 0.826 nan 8.230 nan 0.000 0.471 4117 S N 3.596 119.324 115.700 0.047 0.000 2.575 4117 S HA 0.549 5.010 4.470 -0.016 0.000 0.278 4117 S C -1.356 173.226 174.600 -0.031 0.000 1.139 4117 S CA -0.301 57.902 58.200 0.006 0.000 0.954 4117 S CB 1.402 64.601 63.200 -0.001 0.000 1.054 4117 S HN 0.840 nan 8.310 nan 0.000 0.483 4118 Q N 4.403 124.160 119.800 -0.071 0.000 2.560 4118 Q HA 0.344 4.675 4.340 -0.016 0.000 0.238 4118 Q C -2.325 173.635 176.000 -0.067 0.000 1.079 4118 Q CA -1.839 53.835 55.803 -0.215 0.000 0.866 4118 Q CB 1.314 29.856 28.738 -0.326 0.000 1.153 4118 Q HN 0.515 nan 8.270 nan 0.000 0.530 4119 P HA 0.100 nan 4.420 nan 0.000 0.276 4119 P C -0.285 177.090 177.300 0.125 0.000 1.244 4119 P CA -0.235 62.895 63.100 0.050 0.000 0.801 4119 P CB 1.395 33.113 31.700 0.030 0.000 1.006 4120 D N -0.632 119.823 120.400 0.092 0.000 2.162 4120 D HA -0.017 4.613 4.640 -0.016 0.000 0.205 4120 D C 0.987 177.329 176.300 0.070 0.000 0.964 4120 D CA 1.522 55.575 54.000 0.088 0.000 0.847 4120 D CB -0.059 40.773 40.800 0.054 0.000 0.988 4120 D HN 0.545 nan 8.370 nan 0.000 0.480 4121 T N -3.785 110.801 114.554 0.053 0.000 2.916 4121 T HA 0.549 4.889 4.350 -0.016 0.000 0.292 4121 T C 1.336 176.061 174.700 0.041 0.000 1.064 4121 T CA -0.388 61.736 62.100 0.040 0.000 1.011 4121 T CB 1.896 70.778 68.868 0.024 0.000 1.152 4121 T HN -0.062 nan 8.240 nan 0.000 0.510 4122 G N 0.382 109.203 108.800 0.034 0.000 2.418 4122 G HA2 -0.137 3.814 3.960 -0.016 0.000 0.217 4122 G HA3 -0.137 3.814 3.960 -0.016 0.000 0.217 4122 G C 1.071 175.988 174.900 0.028 0.000 1.158 4122 G CA 0.858 45.977 45.100 0.033 0.000 0.771 4122 G HN 0.817 nan 8.290 nan 0.000 0.545 4123 E N -0.084 120.127 120.200 0.018 0.000 2.077 4123 E HA -0.118 4.223 4.350 -0.016 0.000 0.193 4123 E C 2.417 179.028 176.600 0.018 0.000 0.989 4123 E CA 1.223 57.632 56.400 0.014 0.000 0.800 4123 E CB -0.231 29.473 29.700 0.006 0.000 0.746 4123 E HN 0.633 nan 8.360 nan 0.000 0.452 4124 Q N 0.297 120.109 119.800 0.020 0.000 2.050 4124 Q HA -0.213 4.117 4.340 -0.016 0.000 0.202 4124 Q C 2.166 178.177 176.000 0.018 0.000 0.980 4124 Q CA 1.635 57.450 55.803 0.019 0.000 0.840 4124 Q CB -0.218 28.534 28.738 0.023 0.000 0.898 4124 Q HN 0.302 nan 8.270 nan 0.000 0.424 4125 A N 0.820 123.655 122.820 0.024 0.000 1.892 4125 A HA -0.208 4.102 4.320 -0.016 0.000 0.218 4125 A C 2.046 179.641 177.584 0.019 0.000 1.188 4125 A CA 1.694 53.742 52.037 0.019 0.000 0.631 4125 A CB -0.813 18.206 19.000 0.033 0.000 0.822 4125 A HN 0.474 nan 8.150 nan 0.000 0.447 4126 L N -1.171 120.074 121.223 0.035 0.000 2.179 4126 L HA -0.074 4.257 4.340 -0.016 0.000 0.208 4126 L C 2.554 179.436 176.870 0.019 0.000 1.096 4126 L CA 0.821 55.687 54.840 0.043 0.000 0.779 4126 L CB -0.422 41.669 42.059 0.054 0.000 0.922 4126 L HN 0.277 nan 8.230 nan 0.000 0.443 4127 E N 0.496 120.704 120.200 0.013 0.000 2.106 4127 E HA -0.151 4.190 4.350 -0.016 0.000 0.192 4127 E C 2.277 178.877 176.600 -0.000 0.000 0.984 4127 E CA 1.144 57.549 56.400 0.007 0.000 0.806 4127 E CB -0.035 29.671 29.700 0.009 0.000 0.750 4127 E HN 0.502 nan 8.360 nan 0.000 0.458 4128 I N 0.079 120.647 120.570 -0.003 0.000 2.252 4128 I HA -0.314 3.846 4.170 -0.016 0.000 0.245 4128 I C 2.506 178.608 176.117 -0.024 0.000 1.102 4128 I CA 0.618 61.911 61.300 -0.012 0.000 1.385 4128 I CB -0.247 37.745 38.000 -0.013 0.000 1.064 4128 I HN 0.125 nan 8.210 nan 0.000 0.414 4129 C N 0.472 119.754 119.300 -0.031 0.000 2.398 4129 C HA -0.239 4.211 4.460 -0.016 0.000 0.276 4129 C C 2.580 177.547 174.990 -0.037 0.000 1.222 4129 C CA 1.405 60.392 59.018 -0.051 0.000 1.746 4129 C CB -0.997 26.710 27.740 -0.055 0.000 2.039 4129 C HN 0.540 nan 8.230 nan 0.000 0.470 4130 D N 0.306 120.694 120.400 -0.021 0.000 2.097 4130 D HA -0.079 4.552 4.640 -0.016 0.000 0.195 4130 D C 2.207 178.496 176.300 -0.019 0.000 0.989 4130 D CA 1.655 55.644 54.000 -0.019 0.000 0.827 4130 D CB -0.246 40.548 40.800 -0.010 0.000 0.966 4130 D HN 0.408 nan 8.370 nan 0.000 0.456 4131 A N -0.005 122.806 122.820 -0.014 0.000 1.902 4131 A HA -0.117 4.194 4.320 -0.016 0.000 0.217 4131 A C 2.412 179.986 177.584 -0.016 0.000 1.181 4131 A CA 1.077 53.107 52.037 -0.012 0.000 0.623 4131 A CB -0.759 18.236 19.000 -0.008 0.000 0.818 4131 A HN 0.340 nan 8.150 nan 0.000 0.443 4132 L N -1.020 120.189 121.223 -0.022 0.000 2.072 4132 L HA -0.136 4.194 4.340 -0.016 0.000 0.205 4132 L C 3.129 179.982 176.870 -0.028 0.000 1.079 4132 L CA 0.890 55.715 54.840 -0.026 0.000 0.752 4132 L CB -0.617 41.422 42.059 -0.034 0.000 0.906 4132 L HN 0.435 nan 8.230 nan 0.000 0.436 4133 A N 0.339 123.139 122.820 -0.033 0.000 1.865 4133 A HA -0.243 4.068 4.320 -0.016 0.000 0.217 4133 A C 2.376 179.946 177.584 -0.024 0.000 1.191 4133 A CA 1.726 53.743 52.037 -0.033 0.000 0.623 4133 A CB -0.592 18.384 19.000 -0.039 0.000 0.826 4133 A HN 0.307 nan 8.150 nan 0.000 0.444 4134 R N 0.052 120.539 120.500 -0.021 0.000 2.152 4134 R HA -0.117 4.213 4.340 -0.016 0.000 0.232 4134 R C 2.552 178.847 176.300 -0.010 0.000 1.117 4134 R CA 1.489 57.580 56.100 -0.014 0.000 0.981 4134 R CB -0.370 29.923 30.300 -0.011 0.000 0.870 4134 R HN 0.770 nan 8.270 nan 0.000 0.451 4135 S N -0.661 115.032 115.700 -0.011 0.000 2.402 4135 S HA -0.046 4.415 4.470 -0.016 0.000 0.229 4135 S C 1.636 176.232 174.600 -0.007 0.000 1.021 4135 S CA 0.959 59.154 58.200 -0.008 0.000 0.974 4135 S CB -0.065 63.130 63.200 -0.009 0.000 0.800 4135 S HN 0.497 nan 8.310 nan 0.000 0.484 4136 G N 0.620 109.414 108.800 -0.010 0.000 2.155 4136 G HA2 -0.168 3.783 3.960 -0.016 0.000 0.257 4136 G HA3 -0.168 3.783 3.960 -0.016 0.000 0.257 4136 G C 0.645 175.540 174.900 -0.009 0.000 0.983 4136 G CA 0.224 45.319 45.100 -0.008 0.000 0.676 4136 G HN 1.447 nan 8.290 nan 0.000 0.528 4137 A N -1.163 121.651 122.820 -0.010 0.000 2.343 4137 A HA 0.702 5.013 4.320 -0.016 0.000 0.223 4137 A C 0.783 178.360 177.584 -0.013 0.000 1.214 4137 A CA 1.034 53.065 52.037 -0.010 0.000 0.900 4137 A CB 0.750 19.745 19.000 -0.009 0.000 0.942 4137 A HN 0.974 nan 8.150 nan 0.000 0.507 4138 V N 0.630 120.534 119.914 -0.016 0.000 2.513 4138 V HA 0.264 4.375 4.120 -0.016 0.000 0.299 4138 V C 0.067 176.147 176.094 -0.023 0.000 1.035 4138 V CA -0.552 61.736 62.300 -0.020 0.000 0.889 4138 V CB 1.746 33.554 31.823 -0.025 0.000 0.988 4138 V HN 0.377 nan 8.190 nan 0.000 0.440 4139 D N 1.667 122.054 120.400 -0.022 0.000 2.338 4139 D HA 0.086 4.716 4.640 -0.016 0.000 0.224 4139 D C 0.335 176.616 176.300 -0.030 0.000 0.967 4139 D CA 1.226 55.212 54.000 -0.023 0.000 0.896 4139 D CB 1.549 42.337 40.800 -0.019 0.000 1.028 4139 D HN 0.400 nan 8.370 nan 0.000 0.493 4140 V N 0.793 120.688 119.914 -0.033 0.000 2.709 4140 V HA 0.512 4.623 4.120 -0.016 0.000 0.308 4140 V C -1.533 174.526 176.094 -0.058 0.000 1.062 4140 V CA -0.717 61.556 62.300 -0.045 0.000 0.901 4140 V CB 2.169 33.971 31.823 -0.035 0.000 1.003 4140 V HN -0.094 nan 8.190 nan 0.000 0.425 4141 I N 6.510 127.020 120.570 -0.101 0.000 2.465 4141 I HA 0.642 4.802 4.170 -0.016 0.000 0.291 4141 I C -0.561 175.422 176.117 -0.223 0.000 1.014 4141 I CA -1.053 60.160 61.300 -0.145 0.000 1.093 4141 I CB 2.039 39.938 38.000 -0.169 0.000 1.267 4141 I HN 0.637 nan 8.210 nan 0.000 0.431 4142 V N 7.037 126.787 119.914 -0.274 0.000 2.495 4142 V HA 0.574 4.685 4.120 -0.016 0.000 0.298 4142 V C -0.804 174.939 176.094 -0.584 0.000 1.031 4142 V CA -0.367 61.688 62.300 -0.408 0.000 0.871 4142 V CB 2.011 33.640 31.823 -0.323 0.000 0.988 4142 V HN 0.442 nan 8.190 nan 0.000 0.432 4143 V N 5.889 125.496 119.914 -0.513 0.000 2.333 4143 V HA 0.386 4.497 4.120 -0.016 0.000 0.274 4143 V C 0.005 175.934 176.094 -0.275 0.000 1.028 4143 V CA -0.333 61.736 62.300 -0.384 0.000 0.851 4143 V CB 1.179 32.839 31.823 -0.272 0.000 1.000 4143 V HN 0.958 nan 8.190 nan 0.000 0.456 4144 D N 3.705 123.901 120.400 -0.340 0.000 2.393 4144 D HA 0.293 4.924 4.640 -0.016 0.000 0.232 4144 D C 0.005 176.311 176.300 0.010 0.000 1.192 4144 D CA 0.640 54.556 54.000 -0.139 0.000 0.882 4144 D CB 0.733 41.503 40.800 -0.050 0.000 1.038 4144 D HN 0.637 nan 8.370 nan 0.000 0.499 4145 S N 1.271 117.005 115.700 0.057 0.000 3.027 4145 S HA -0.162 4.298 4.470 -0.016 0.000 0.809 4145 S C 1.087 175.743 174.600 0.094 0.000 0.729 4145 S CA 0.298 58.548 58.200 0.084 0.000 1.515 4145 S CB -0.856 62.392 63.200 0.079 0.000 1.062 4145 S HN 0.493 nan 8.310 nan 0.000 0.682 4146 V N 2.907 122.883 119.914 0.104 0.000 2.626 4146 V HA 0.030 4.141 4.120 -0.016 0.000 0.252 4146 V C 2.242 178.351 176.094 0.026 0.000 1.067 4146 V CA 2.431 64.763 62.300 0.055 0.000 1.081 4146 V CB -0.912 30.881 31.823 -0.050 0.000 0.686 4146 V HN 1.455 nan 8.190 nan 0.000 0.468 4147 A N 0.454 123.293 122.820 0.033 0.000 2.024 4147 A HA 0.137 4.448 4.320 -0.016 0.000 0.220 4147 A C 2.338 179.941 177.584 0.033 0.000 1.164 4147 A CA 1.984 54.036 52.037 0.024 0.000 0.643 4147 A CB -0.815 18.203 19.000 0.030 0.000 0.806 4147 A HN 1.151 nan 8.150 nan 0.000 0.451 4148 A N -1.399 121.452 122.820 0.052 0.000 2.275 4148 A HA 0.435 4.745 4.320 -0.016 0.000 0.212 4148 A C 0.438 178.061 177.584 0.064 0.000 1.201 4148 A CA -0.106 51.970 52.037 0.065 0.000 0.843 4148 A CB -0.132 18.926 19.000 0.096 0.000 0.873 4148 A HN 0.270 nan 8.150 nan 0.000 0.492 4149 L N 2.485 123.738 121.223 0.051 0.000 2.505 4149 L HA 0.172 4.502 4.340 -0.016 0.000 0.279 4149 L C -0.038 176.848 176.870 0.026 0.000 1.211 4149 L CA 0.745 55.611 54.840 0.044 0.000 1.059 4149 L CB -0.736 41.346 42.059 0.039 0.000 1.340 4149 L HN 0.088 nan 8.230 nan 0.000 0.447 4150 T N 4.823 119.394 114.554 0.030 0.000 2.743 4150 T HA 0.338 4.679 4.350 -0.016 0.000 0.293 4150 T C -2.265 172.442 174.700 0.012 0.000 0.945 4150 T CA -1.389 60.721 62.100 0.016 0.000 1.030 4150 T CB 0.940 69.817 68.868 0.016 0.000 0.912 4150 T HN 0.202 nan 8.240 nan 0.000 0.483 4151 P HA 0.040 nan 4.420 nan 0.000 0.266 4151 P C 1.042 178.342 177.300 0.001 0.000 1.193 4151 P CA -0.306 62.794 63.100 -0.001 0.000 0.770 4151 P CB 0.710 32.405 31.700 -0.007 0.000 0.836 4152 K N 2.996 123.396 120.400 0.000 0.000 2.074 4152 K HA -0.237 4.074 4.320 -0.016 0.000 0.209 4152 K C 1.716 178.315 176.600 -0.002 0.000 1.048 4152 K CA 2.009 58.296 56.287 0.001 0.000 0.926 4152 K CB -0.587 31.913 32.500 -0.001 0.000 0.713 4152 K HN 0.484 nan 8.250 nan 0.000 0.444 4153 A N 1.100 123.916 122.820 -0.006 0.000 1.933 4153 A HA -0.209 4.101 4.320 -0.016 0.000 0.218 4153 A C 1.964 179.545 177.584 -0.005 0.000 1.175 4153 A CA 1.836 53.869 52.037 -0.007 0.000 0.628 4153 A CB -0.468 18.526 19.000 -0.009 0.000 0.814 4153 A HN 0.592 nan 8.150 nan 0.000 0.444 4154 E N 0.146 120.343 120.200 -0.005 0.000 2.106 4154 E HA -0.107 4.233 4.350 -0.016 0.000 0.192 4154 E C 1.318 177.915 176.600 -0.004 0.000 0.984 4154 E CA 1.081 57.478 56.400 -0.005 0.000 0.806 4154 E CB -0.245 29.452 29.700 -0.005 0.000 0.750 4154 E HN 0.696 nan 8.360 nan 0.000 0.458 4155 I N 0.947 121.515 120.570 -0.003 0.000 3.555 4155 I HA -0.011 4.149 4.170 -0.016 0.000 0.304 4155 I C 0.231 176.345 176.117 -0.004 0.000 1.246 4155 I CA 0.394 61.692 61.300 -0.004 0.000 1.220 4155 I CB -0.523 37.476 38.000 -0.001 0.000 1.001 4155 I HN 0.061 nan 8.210 nan 0.000 0.513 4165 G N 1.213 110.001 108.800 -0.021 0.000 2.249 4165 G HA2 -0.253 3.697 3.960 -0.016 0.000 0.273 4165 G HA3 -0.253 3.697 3.960 -0.016 0.000 0.273 4165 G C 0.557 175.444 174.900 -0.022 0.000 1.036 4165 G CA 0.766 45.852 45.100 -0.022 0.000 0.824 4165 G HN 0.725 nan 8.290 nan 0.000 0.504 4166 L N -0.057 121.154 121.223 -0.020 0.000 2.109 4166 L HA 0.401 4.731 4.340 -0.016 0.000 0.207 4166 L C 2.944 179.800 176.870 -0.023 0.000 1.086 4166 L CA 2.898 57.726 54.840 -0.020 0.000 0.760 4166 L CB -0.472 41.576 42.059 -0.017 0.000 0.910 4166 L HN 0.483 nan 8.230 nan 0.000 0.437 4167 A N -0.799 122.007 122.820 -0.023 0.000 1.930 4167 A HA -0.063 4.248 4.320 -0.016 0.000 0.217 4167 A C 2.423 179.984 177.584 -0.038 0.000 1.175 4167 A CA 1.467 53.487 52.037 -0.028 0.000 0.627 4167 A CB -0.947 18.037 19.000 -0.026 0.000 0.815 4167 A HN 0.480 nan 8.150 nan 0.000 0.443 4168 A N 0.850 123.650 122.820 -0.034 0.000 1.877 4168 A HA -0.191 4.120 4.320 -0.016 0.000 0.216 4168 A C 2.258 179.823 177.584 -0.032 0.000 1.186 4168 A CA 1.859 53.875 52.037 -0.034 0.000 0.620 4168 A CB -0.542 18.443 19.000 -0.025 0.000 0.822 4168 A HN 0.696 nan 8.150 nan 0.000 0.443 4169 R N -0.638 119.846 120.500 -0.027 0.000 2.148 4169 R HA 0.002 4.332 4.340 -0.016 0.000 0.227 4169 R C 2.100 178.382 176.300 -0.029 0.000 1.103 4169 R CA 1.579 57.664 56.100 -0.025 0.000 0.983 4169 R CB -0.485 29.803 30.300 -0.021 0.000 0.874 4169 R HN 0.541 nan 8.270 nan 0.000 0.451 4170 M N 0.303 119.884 119.600 -0.033 0.000 2.099 4170 M HA -0.111 4.360 4.480 -0.016 0.000 0.262 4170 M C 1.871 178.139 176.300 -0.053 0.000 1.067 4170 M CA 1.550 56.829 55.300 -0.035 0.000 1.124 4170 M CB 0.032 32.615 32.600 -0.029 0.000 1.353 4170 M HN 0.226 nan 8.290 nan 0.000 0.410 4171 M N -0.519 119.036 119.600 -0.074 0.000 2.117 4171 M HA -0.173 4.298 4.480 -0.016 0.000 0.262 4171 M C 2.432 178.655 176.300 -0.128 0.000 1.065 4171 M CA 1.527 56.753 55.300 -0.124 0.000 1.114 4171 M CB -1.375 31.137 32.600 -0.147 0.000 1.361 4171 M HN 0.386 nan 8.290 nan 0.000 0.408 4172 S N -0.157 115.495 115.700 -0.079 0.000 2.368 4172 S HA -0.197 4.263 4.470 -0.016 0.000 0.225 4172 S C 1.893 176.443 174.600 -0.084 0.000 1.030 4172 S CA 1.441 59.604 58.200 -0.061 0.000 0.999 4172 S CB -0.132 63.059 63.200 -0.016 0.000 0.844 4172 S HN 0.536 nan 8.310 nan 0.000 0.459 4173 Q N 0.039 119.804 119.800 -0.058 0.000 2.119 4173 Q HA -0.053 4.277 4.340 -0.016 0.000 0.201 4173 Q C 2.188 178.144 176.000 -0.074 0.000 0.972 4173 Q CA 1.290 57.068 55.803 -0.042 0.000 0.847 4173 Q CB -0.371 28.364 28.738 -0.005 0.000 0.903 4173 Q HN 0.628 nan 8.270 nan 0.000 0.433 4174 A N 0.812 123.579 122.820 -0.088 0.000 1.877 4174 A HA -0.207 4.103 4.320 -0.016 0.000 0.216 4174 A C 2.044 179.533 177.584 -0.159 0.000 1.186 4174 A CA 1.622 53.609 52.037 -0.084 0.000 0.620 4174 A CB -0.482 18.488 19.000 -0.050 0.000 0.822 4174 A HN 0.387 nan 8.150 nan 0.000 0.443 4175 M N -0.996 118.417 119.600 -0.312 0.000 2.065 4175 M HA -0.136 4.335 4.480 -0.016 0.000 0.259 4175 M C 2.157 178.097 176.300 -0.600 0.000 1.069 4175 M CA 1.780 56.698 55.300 -0.638 0.000 1.110 4175 M CB -1.392 30.437 32.600 -1.286 0.000 1.328 4175 M HN 0.452 nan 8.290 nan 0.000 0.405 4176 R N 0.498 120.751 120.500 -0.412 0.000 2.134 4176 R HA -0.209 4.121 4.340 -0.016 0.000 0.248 4176 R C 2.191 178.450 176.300 -0.069 0.000 1.143 4176 R CA 2.146 58.178 56.100 -0.113 0.000 0.957 4176 R CB -0.061 30.213 30.300 -0.044 0.000 0.867 4176 R HN 0.406 nan 8.270 nan 0.000 0.441 4177 K N -0.477 119.872 120.400 -0.086 0.000 2.098 4177 K HA -0.001 4.309 4.320 -0.016 0.000 0.203 4177 K C 2.088 178.647 176.600 -0.068 0.000 1.051 4177 K CA 0.880 57.133 56.287 -0.057 0.000 0.957 4177 K CB 0.021 32.498 32.500 -0.037 0.000 0.738 4177 K HN 0.140 nan 8.250 nan 0.000 0.447 4178 L N 0.823 122.000 121.223 -0.077 0.000 2.056 4178 L HA -0.122 4.208 4.340 -0.016 0.000 0.207 4178 L C 2.604 179.432 176.870 -0.071 0.000 1.078 4178 L CA 0.936 55.742 54.840 -0.057 0.000 0.749 4178 L CB -0.584 41.464 42.059 -0.017 0.000 0.901 4178 L HN 0.195 nan 8.230 nan 0.000 0.433 4179 A N 0.524 123.305 122.820 -0.064 0.000 1.892 4179 A HA -0.219 4.092 4.320 -0.016 0.000 0.218 4179 A C 2.381 179.816 177.584 -0.248 0.000 1.188 4179 A CA 2.143 54.167 52.037 -0.021 0.000 0.631 4179 A CB -1.409 17.698 19.000 0.178 0.000 0.822 4179 A HN 0.457 nan 8.150 nan 0.000 0.447 4180 G N -0.662 107.876 108.800 -0.437 0.000 2.404 4180 G HA2 -0.263 3.687 3.960 -0.016 0.000 0.215 4180 G HA3 -0.263 3.687 3.960 -0.016 0.000 0.215 4180 G C 1.449 176.125 174.900 -0.372 0.000 1.174 4180 G CA 1.071 45.662 45.100 -0.849 0.000 0.780 4180 G HN 0.716 nan 8.290 nan 0.000 0.537 4181 N N 0.035 118.624 118.700 -0.186 0.000 2.120 4181 N HA -0.017 4.713 4.740 -0.016 0.000 0.188 4181 N C 2.219 177.686 175.510 -0.072 0.000 1.024 4181 N CA 0.587 53.581 53.050 -0.095 0.000 0.852 4181 N CB -0.160 38.289 38.487 -0.062 0.000 1.003 4181 N HN 0.231 nan 8.380 nan 0.000 0.424 4182 L N 0.841 122.020 121.223 -0.073 0.000 2.046 4182 L HA -0.167 4.163 4.340 -0.016 0.000 0.208 4182 L C 2.441 179.297 176.870 -0.022 0.000 1.077 4182 L CA 1.023 55.838 54.840 -0.041 0.000 0.747 4182 L CB -0.307 41.737 42.059 -0.026 0.000 0.896 4182 L HN 0.117 nan 8.230 nan 0.000 0.432 4183 K N 0.642 121.025 120.400 -0.027 0.000 2.026 4183 K HA -0.202 4.108 4.320 -0.016 0.000 0.208 4183 K C 2.033 178.660 176.600 0.044 0.000 1.048 4183 K CA 1.616 57.927 56.287 0.040 0.000 0.929 4183 K CB -0.209 32.377 32.500 0.144 0.000 0.713 4183 K HN 0.213 nan 8.250 nan 0.000 0.439 4184 Q N -0.473 119.341 119.800 0.024 0.000 2.488 4184 Q HA 0.059 4.389 4.340 -0.016 0.000 0.211 4184 Q C 0.754 176.764 176.000 0.017 0.000 0.967 4184 Q CA 1.132 56.956 55.803 0.035 0.000 0.926 4184 Q CB 0.356 29.117 28.738 0.039 0.000 0.992 4184 Q HN 0.275 nan 8.270 nan 0.000 0.506 4185 S N -0.142 115.560 115.700 0.004 0.000 2.559 4185 S HA 0.071 4.532 4.470 -0.016 0.000 0.226 4185 S C 0.234 174.834 174.600 -0.000 0.000 1.000 4185 S CA -0.219 57.981 58.200 -0.001 0.000 0.948 4185 S CB 0.362 63.555 63.200 -0.011 0.000 0.870 4185 S HN 0.393 nan 8.310 nan 0.000 0.497 4186 N N 2.178 120.881 118.700 0.006 0.000 2.740 4186 N HA -0.138 4.593 4.740 -0.016 0.000 0.248 4186 N C -1.226 174.281 175.510 -0.005 0.000 1.062 4186 N CA 0.841 53.894 53.050 0.005 0.000 0.704 4186 N CB -1.626 36.865 38.487 0.006 0.000 0.968 4186 N HN 0.344 nan 8.380 nan 0.000 0.547 4187 T N 0.796 115.343 114.554 -0.012 0.000 2.767 4187 T HA 0.450 4.791 4.350 -0.016 0.000 0.284 4187 T C 0.226 174.909 174.700 -0.028 0.000 0.973 4187 T CA -0.681 61.405 62.100 -0.024 0.000 0.996 4187 T CB 1.560 70.407 68.868 -0.034 0.000 0.927 4187 T HN 0.277 nan 8.240 nan 0.000 0.456 4188 L N 4.624 125.826 121.223 -0.034 0.000 2.290 4188 L HA 0.535 4.865 4.340 -0.016 0.000 0.284 4188 L C -0.831 175.993 176.870 -0.077 0.000 1.078 4188 L CA -0.289 54.527 54.840 -0.040 0.000 0.815 4188 L CB 0.307 42.346 42.059 -0.033 0.000 1.162 4188 L HN 0.615 nan 8.230 nan 0.000 0.435 4189 L N 6.979 128.146 121.223 -0.093 0.000 2.319 4189 L HA 0.525 4.855 4.340 -0.016 0.000 0.281 4189 L C -0.952 175.788 176.870 -0.217 0.000 1.005 4189 L CA -0.483 54.237 54.840 -0.201 0.000 0.828 4189 L CB 1.222 43.141 42.059 -0.232 0.000 1.227 4189 L HN 0.668 nan 8.230 nan 0.000 0.415 4190 I N 4.541 124.954 120.570 -0.261 0.000 2.321 4190 I HA 0.272 4.433 4.170 -0.016 0.000 0.291 4190 I C -0.807 175.134 176.117 -0.293 0.000 0.998 4190 I CA -0.314 60.880 61.300 -0.176 0.000 1.227 4190 I CB 1.274 39.217 38.000 -0.095 0.000 1.368 4190 I HN 0.387 nan 8.210 nan 0.000 0.466 4191 F N 6.563 126.498 119.950 -0.025 0.000 2.404 4191 F HA 0.472 4.989 4.527 -0.016 0.000 0.354 4191 F C 0.407 176.207 175.800 0.001 0.000 1.122 4191 F CA -0.431 57.553 58.000 -0.026 0.000 1.080 4191 F CB 1.000 39.997 39.000 -0.006 0.000 1.131 4191 F HN 0.215 nan 8.300 nan 0.000 0.471 4192 I N 3.437 124.106 120.570 0.165 0.000 2.428 4192 I HA 0.211 4.372 4.170 -0.016 0.000 0.289 4192 I C -0.146 176.067 176.117 0.159 0.000 1.019 4192 I CA -0.101 61.283 61.300 0.140 0.000 1.351 4192 I CB 1.120 39.173 38.000 0.088 0.000 1.412 4192 I HN 0.644 nan 8.210 nan 0.000 0.513 4193 N N 3.870 122.668 118.700 0.164 0.000 2.321 4193 N HA 0.391 5.122 4.740 -0.016 0.000 0.290 4193 N C -1.289 174.302 175.510 0.134 0.000 1.212 4193 N CA -0.693 52.434 53.050 0.129 0.000 0.767 4193 N CB 1.808 40.356 38.487 0.101 0.000 1.494 4193 N HN 0.541 nan 8.380 nan 0.000 0.479 4194 Q N 0.760 120.610 119.800 0.084 0.000 2.194 4194 Q HA 0.517 4.848 4.340 -0.016 0.000 0.245 4194 Q C -0.672 175.358 176.000 0.051 0.000 0.993 4194 Q CA -0.675 55.175 55.803 0.078 0.000 0.930 4194 Q CB 2.018 30.788 28.738 0.054 0.000 1.238 4194 Q HN 0.467 nan 8.270 nan 0.000 0.486 4195 I N 1.081 121.684 120.570 0.054 0.000 2.437 4195 I HA 0.393 4.553 4.170 -0.016 0.000 0.298 4195 I C -0.010 176.110 176.117 0.005 0.000 0.984 4195 I CA -0.650 60.664 61.300 0.024 0.000 1.214 4195 I CB 0.936 38.975 38.000 0.065 0.000 1.365 4195 I HN 0.391 nan 8.210 nan 0.000 0.469 4206 P HA 0.126 nan 4.420 nan 0.000 0.249 4206 P C -0.541 176.752 177.300 -0.010 0.000 1.229 4206 P CA 0.477 63.573 63.100 -0.006 0.000 0.788 4206 P CB 0.428 32.126 31.700 -0.003 0.000 1.072 4207 E N 0.454 120.649 120.200 -0.007 0.000 2.331 4207 E HA 0.325 4.665 4.350 -0.016 0.000 0.272 4207 E C -0.082 176.486 176.600 -0.053 0.000 1.036 4207 E CA 0.127 56.518 56.400 -0.016 0.000 0.864 4207 E CB 0.965 30.672 29.700 0.012 0.000 1.035 4207 E HN 0.152 nan 8.360 nan 0.000 0.408 4208 T N 0.229 114.737 114.554 -0.076 0.000 2.669 4208 T HA 0.458 4.798 4.350 -0.016 0.000 0.283 4208 T C -0.350 174.250 174.700 -0.166 0.000 1.019 4208 T CA -0.747 61.279 62.100 -0.124 0.000 1.039 4208 T CB 1.756 70.571 68.868 -0.088 0.000 1.374 4208 T HN 0.302 nan 8.240 nan 0.000 0.523 4209 T N 0.936 115.380 114.554 -0.183 0.000 2.906 4209 T HA 0.624 4.965 4.350 -0.016 0.000 0.295 4209 T C -0.584 174.050 174.700 -0.110 0.000 1.075 4209 T CA -0.406 61.578 62.100 -0.194 0.000 1.005 4209 T CB 1.622 70.292 68.868 -0.330 0.000 1.136 4209 T HN 0.660 nan 8.240 nan 0.000 0.498 4210 T N 1.087 115.596 114.554 -0.076 0.000 2.882 4210 T HA 0.516 4.857 4.350 -0.016 0.000 0.287 4210 T C 1.233 175.891 174.700 -0.069 0.000 1.014 4210 T CA 0.666 62.733 62.100 -0.055 0.000 1.049 4210 T CB 0.845 69.695 68.868 -0.030 0.000 1.001 4210 T HN 1.094 nan 8.240 nan 0.000 0.525 4211 G N 0.317 109.081 108.800 -0.060 0.000 2.141 4211 G HA2 0.210 4.160 3.960 -0.016 0.000 0.242 4211 G HA3 0.210 4.160 3.960 -0.016 0.000 0.242 4211 G C 0.673 175.533 174.900 -0.067 0.000 0.982 4211 G CA 0.106 45.163 45.100 -0.071 0.000 0.662 4211 G HN 1.726 nan 8.290 nan 0.000 0.527 4212 G N -0.468 108.302 108.800 -0.050 0.000 2.568 4212 G HA2 -0.080 3.871 3.960 -0.016 0.000 0.222 4212 G HA3 -0.080 3.871 3.960 -0.016 0.000 0.222 4212 G C 0.403 175.300 174.900 -0.005 0.000 1.321 4212 G CA 0.515 45.600 45.100 -0.025 0.000 0.893 4212 G HN 0.877 nan 8.290 nan 0.000 0.569 4213 N N 0.292 119.023 118.700 0.052 0.000 2.388 4213 N HA 0.228 4.958 4.740 -0.016 0.000 0.176 4213 N C 2.483 178.148 175.510 0.259 0.000 1.062 4213 N CA 1.431 54.561 53.050 0.133 0.000 0.895 4213 N CB -0.116 38.493 38.487 0.205 0.000 1.018 4213 N HN 0.915 nan 8.380 nan 0.000 0.456 4214 A N 1.624 124.569 122.820 0.207 0.000 1.873 4214 A HA -0.164 4.147 4.320 -0.016 0.000 0.218 4214 A C 2.160 179.954 177.584 0.351 0.000 1.193 4214 A CA 1.244 53.463 52.037 0.304 0.000 0.629 4214 A CB -0.852 18.223 19.000 0.125 0.000 0.826 4214 A HN 0.218 nan 8.150 nan 0.000 0.447 4215 L N -0.088 121.203 121.223 0.114 0.000 2.079 4215 L HA -0.188 4.143 4.340 -0.016 0.000 0.210 4215 L C 2.237 179.173 176.870 0.111 0.000 1.081 4215 L CA 2.304 57.178 54.840 0.057 0.000 0.752 4215 L CB -0.626 41.351 42.059 -0.136 0.000 0.896 4215 L HN 0.396 nan 8.230 nan 0.000 0.433 4216 K N -1.203 119.223 120.400 0.044 0.000 2.059 4216 K HA -0.244 4.066 4.320 -0.016 0.000 0.212 4216 K C 2.046 178.591 176.600 -0.092 0.000 1.050 4216 K CA 2.235 58.472 56.287 -0.083 0.000 0.927 4216 K CB -0.465 31.882 32.500 -0.256 0.000 0.714 4216 K HN 0.289 nan 8.250 nan 0.000 0.447 4217 F N -0.879 119.104 119.950 0.056 0.000 2.163 4217 F HA -0.122 4.395 4.527 -0.016 0.000 0.297 4217 F C 2.001 177.764 175.800 -0.062 0.000 1.094 4217 F CA 1.064 59.049 58.000 -0.024 0.000 1.290 4217 F CB -0.272 38.675 39.000 -0.088 0.000 1.017 4217 F HN 0.018 nan 8.300 nan 0.000 0.483 4218 Y N -0.017 120.409 120.300 0.211 0.000 2.519 4218 Y HA 0.258 4.799 4.550 -0.015 0.000 0.287 4218 Y C 1.499 177.463 175.900 0.107 0.000 1.128 4218 Y CA -0.124 58.062 58.100 0.144 0.000 1.282 4218 Y CB -0.617 37.913 38.460 0.117 0.000 1.027 4218 Y HN -0.122 nan 8.280 nan 0.000 0.551 4219 A N -0.221 122.727 122.820 0.214 0.000 2.488 4219 A HA 0.184 4.494 4.320 -0.016 0.000 0.249 4219 A C 1.247 178.879 177.584 0.079 0.000 1.083 4219 A CA 0.260 52.383 52.037 0.145 0.000 0.768 4219 A CB 0.257 19.326 19.000 0.115 0.000 1.017 4219 A HN 0.302 nan 8.150 nan 0.000 0.496 4220 S N 0.558 116.296 115.700 0.064 0.000 2.478 4220 S HA 0.151 4.611 4.470 -0.016 0.000 0.222 4220 S C 0.409 174.992 174.600 -0.028 0.000 1.008 4220 S CA 0.558 58.765 58.200 0.012 0.000 0.928 4220 S CB 0.050 63.259 63.200 0.016 0.000 0.781 4220 S HN 0.564 nan 8.310 nan 0.000 0.518 4221 V N 2.179 122.088 119.914 -0.007 0.000 2.760 4221 V HA 0.485 4.595 4.120 -0.016 0.000 0.309 4221 V C -0.775 175.321 176.094 0.003 0.000 1.077 4221 V CA -0.880 61.402 62.300 -0.031 0.000 0.910 4221 V CB 2.112 33.917 31.823 -0.030 0.000 1.008 4221 V HN 0.124 nan 8.190 nan 0.000 0.424 4222 R N 3.915 124.408 120.500 -0.013 0.000 2.561 4222 R HA 0.690 5.021 4.340 -0.016 0.000 0.297 4222 R C -1.893 174.394 176.300 -0.021 0.000 0.969 4222 R CA -0.902 55.223 56.100 0.041 0.000 0.879 4222 R CB 2.293 32.660 30.300 0.112 0.000 1.178 4222 R HN 0.347 nan 8.270 nan 0.000 0.445 4223 L N 2.324 123.508 121.223 -0.065 0.000 2.333 4223 L HA 0.295 4.626 4.340 -0.016 0.000 0.280 4223 L C -0.354 176.247 176.870 -0.448 0.000 1.004 4223 L CA -0.566 54.178 54.840 -0.161 0.000 0.820 4223 L CB 1.537 43.549 42.059 -0.078 0.000 1.247 4223 L HN 0.492 nan 8.230 nan 0.000 0.416 4224 D N 4.304 124.420 120.400 -0.474 0.000 2.412 4224 D HA 0.273 4.904 4.640 -0.016 0.000 0.224 4224 D C -0.702 175.429 176.300 -0.281 0.000 1.093 4224 D CA -0.187 53.421 54.000 -0.653 0.000 0.850 4224 D CB 0.934 41.466 40.800 -0.447 0.000 1.046 4224 D HN 0.459 nan 8.370 nan 0.000 0.507 4225 I N 3.377 123.815 120.570 -0.221 0.000 2.412 4225 I HA 0.503 4.664 4.170 -0.016 0.000 0.296 4225 I C -0.725 175.352 176.117 -0.067 0.000 0.987 4225 I CA -0.669 60.573 61.300 -0.096 0.000 1.180 4225 I CB 0.704 38.690 38.000 -0.025 0.000 1.340 4225 I HN 0.267 nan 8.210 nan 0.000 0.455 4226 R N 5.481 125.940 120.500 -0.069 0.000 2.626 4226 R HA 0.374 4.705 4.340 -0.016 0.000 0.274 4226 R C -1.148 175.116 176.300 -0.061 0.000 1.031 4226 R CA -0.909 55.164 56.100 -0.046 0.000 0.898 4226 R CB 2.039 32.317 30.300 -0.037 0.000 1.222 4226 R HN 0.567 nan 8.270 nan 0.000 0.455 4227 R N 4.057 124.541 120.500 -0.027 0.000 2.267 4227 R HA 0.198 4.529 4.340 -0.016 0.000 0.319 4227 R C 0.667 176.950 176.300 -0.028 0.000 1.067 4227 R CA 0.046 56.131 56.100 -0.024 0.000 0.936 4227 R CB 0.403 30.712 30.300 0.016 0.000 1.006 4227 R HN 0.763 nan 8.270 nan 0.000 0.452 4228 I N 0.703 121.245 120.570 -0.047 0.000 4.082 4228 I HA 0.502 4.662 4.170 -0.016 0.000 0.337 4228 I C 0.377 176.478 176.117 -0.027 0.000 1.352 4228 I CA -0.230 61.047 61.300 -0.039 0.000 1.097 4228 I CB 0.969 38.935 38.000 -0.055 0.000 1.048 4228 I HN 0.669 nan 8.210 nan 0.000 0.393 4229 G N 1.052 109.840 108.800 -0.021 0.000 2.320 4229 G HA2 0.608 4.559 3.960 -0.016 0.000 0.296 4229 G HA3 0.608 4.559 3.960 -0.016 0.000 0.296 4229 G C -1.979 172.919 174.900 -0.003 0.000 1.306 4229 G CA -0.232 44.862 45.100 -0.010 0.000 0.836 4229 G HN 0.325 nan 8.290 nan 0.000 0.517 4230 A N -0.735 122.086 122.820 0.001 0.000 2.324 4230 A HA 0.783 5.093 4.320 -0.016 0.000 0.330 4230 A C -0.291 177.281 177.584 -0.019 0.000 1.165 4230 A CA -0.549 51.492 52.037 0.006 0.000 0.813 4230 A CB 1.598 20.613 19.000 0.026 0.000 1.197 4230 A HN 1.475 nan 8.150 nan 0.000 0.484 4231 V N 2.981 122.866 119.914 -0.049 0.000 2.383 4231 V HA 0.346 4.456 4.120 -0.016 0.000 0.275 4231 V C 0.087 176.153 176.094 -0.046 0.000 1.036 4231 V CA -0.287 61.975 62.300 -0.062 0.000 0.889 4231 V CB 0.898 32.657 31.823 -0.107 0.000 0.985 4231 V HN 0.837 nan 8.190 nan 0.000 0.459 4232 K N 3.418 123.803 120.400 -0.025 0.000 2.345 4232 K HA 0.454 4.764 4.320 -0.016 0.000 0.255 4232 K C -0.654 175.941 176.600 -0.009 0.000 0.934 4232 K CA -0.719 55.562 56.287 -0.009 0.000 0.801 4232 K CB 2.410 34.910 32.500 0.001 0.000 1.137 4232 K HN 0.518 nan 8.250 nan 0.000 0.424 4233 E N 2.280 122.479 120.200 -0.001 0.000 2.069 4233 E HA 0.110 4.450 4.350 -0.016 0.000 0.254 4233 E C 0.814 177.417 176.600 0.004 0.000 1.088 4233 E CA -0.027 56.373 56.400 0.000 0.000 1.017 4233 E CB 0.683 30.387 29.700 0.006 0.000 1.226 4233 E HN 0.986 nan 8.360 nan 0.000 0.458 4234 G N 3.663 112.464 108.800 0.001 0.000 3.434 4234 G HA2 -0.449 3.502 3.960 -0.016 0.000 0.343 4234 G HA3 -0.449 3.502 3.960 -0.016 0.000 0.343 4234 G C 1.123 176.027 174.900 0.008 0.000 1.240 4234 G CA 0.700 45.802 45.100 0.003 0.000 0.996 4234 G HN 0.487 nan 8.290 nan 0.000 0.650 4235 E N 1.946 122.153 120.200 0.011 0.000 2.033 4235 E HA -0.022 4.319 4.350 -0.016 0.000 0.189 4235 E C 1.099 177.712 176.600 0.021 0.000 0.979 4235 E CA 1.053 57.462 56.400 0.014 0.000 0.802 4235 E CB -0.381 29.328 29.700 0.014 0.000 0.763 4235 E HN 0.760 nan 8.360 nan 0.000 0.449 4236 N N 1.294 120.009 118.700 0.025 0.000 2.514 4236 N HA 0.166 4.897 4.740 -0.016 0.000 0.277 4236 N C -0.739 174.798 175.510 0.046 0.000 1.126 4236 N CA -0.245 52.828 53.050 0.039 0.000 0.978 4236 N CB 1.662 40.174 38.487 0.043 0.000 1.106 4236 N HN -0.193 nan 8.380 nan 0.000 0.461 4237 V N 2.413 122.371 119.914 0.073 0.000 2.405 4237 V HA 0.025 4.136 4.120 -0.016 0.000 0.264 4237 V C 0.747 176.926 176.094 0.142 0.000 1.048 4237 V CA -0.101 62.257 62.300 0.097 0.000 0.966 4237 V CB 1.020 32.923 31.823 0.135 0.000 1.015 4237 V HN 0.627 nan 8.190 nan 0.000 0.477 4238 V N 4.373 124.297 119.914 0.016 0.000 3.605 4238 V HA 0.628 4.739 4.120 -0.016 0.000 0.284 4238 V C 0.826 176.645 176.094 -0.457 0.000 1.386 4238 V CA 1.188 63.463 62.300 -0.042 0.000 1.053 4238 V CB 0.374 32.184 31.823 -0.022 0.000 0.857 4238 V HN 0.930 nan 8.190 nan 0.000 0.436 4239 G N -1.052 107.347 108.800 -0.668 0.000 2.550 4239 G HA2 0.494 4.444 3.960 -0.016 0.000 0.293 4239 G HA3 0.494 4.444 3.960 -0.016 0.000 0.293 4239 G C -1.484 173.091 174.900 -0.542 0.000 1.402 4239 G CA -0.256 44.196 45.100 -1.080 0.000 0.784 4239 G HN 0.012 nan 8.290 nan 0.000 0.482 4240 S N -0.162 115.351 115.700 -0.311 0.000 2.449 4240 S HA 0.517 4.977 4.470 -0.016 0.000 0.310 4240 S C -0.480 174.089 174.600 -0.052 0.000 1.096 4240 S CA -0.442 57.739 58.200 -0.033 0.000 1.095 4240 S CB 1.767 65.042 63.200 0.125 0.000 1.007 4240 S HN 0.581 nan 8.310 nan 0.000 0.474 4241 E N 2.048 122.216 120.200 -0.054 0.000 2.290 4241 E HA 0.356 4.697 4.350 -0.016 0.000 0.277 4241 E C -0.678 175.842 176.600 -0.134 0.000 1.035 4241 E CA 0.285 56.635 56.400 -0.084 0.000 0.873 4241 E CB 0.574 30.236 29.700 -0.062 0.000 1.029 4241 E HN 0.466 nan 8.360 nan 0.000 0.419 4242 T N 4.840 119.233 114.554 -0.268 0.000 2.876 4242 T HA 0.493 4.833 4.350 -0.016 0.000 0.289 4242 T C -0.694 173.688 174.700 -0.530 0.000 1.014 4242 T CA -0.753 61.098 62.100 -0.414 0.000 0.986 4242 T CB 1.281 69.787 68.868 -0.602 0.000 1.021 4242 T HN 0.315 nan 8.240 nan 0.000 0.458 4243 R N 1.942 122.231 120.500 -0.351 0.000 2.561 4243 R HA 0.720 5.051 4.340 -0.016 0.000 0.297 4243 R C -1.751 174.435 176.300 -0.190 0.000 0.969 4243 R CA -0.563 55.381 56.100 -0.261 0.000 0.879 4243 R CB 1.402 31.620 30.300 -0.138 0.000 1.178 4243 R HN 0.448 nan 8.270 nan 0.000 0.445 4244 V N 4.474 124.315 119.914 -0.122 0.000 2.487 4244 V HA 0.392 4.503 4.120 -0.016 0.000 0.298 4244 V C -0.437 175.647 176.094 -0.018 0.000 1.028 4244 V CA -0.860 61.417 62.300 -0.040 0.000 0.860 4244 V CB 1.849 33.716 31.823 0.074 0.000 0.991 4244 V HN 0.686 nan 8.190 nan 0.000 0.427 4245 K N 2.954 123.334 120.400 -0.035 0.000 2.159 4245 K HA 0.613 4.923 4.320 -0.016 0.000 0.266 4245 K C -0.886 175.703 176.600 -0.019 0.000 0.975 4245 K CA -0.709 55.580 56.287 0.002 0.000 0.865 4245 K CB 2.269 34.789 32.500 0.033 0.000 1.087 4245 K HN 0.459 nan 8.250 nan 0.000 0.446 4246 V N 4.397 124.304 119.914 -0.011 0.000 2.356 4246 V HA -0.001 4.109 4.120 -0.016 0.000 0.258 4246 V C 0.981 176.995 176.094 -0.134 0.000 1.065 4246 V CA -0.026 62.228 62.300 -0.076 0.000 0.935 4246 V CB 0.853 32.618 31.823 -0.096 0.000 1.061 4246 V HN 0.684 nan 8.190 nan 0.000 0.484 4247 V N 4.207 124.061 119.914 -0.101 0.000 2.878 4247 V HA 0.135 4.246 4.120 -0.016 0.000 0.250 4247 V C 0.901 176.860 176.094 -0.225 0.000 1.075 4247 V CA 1.219 63.493 62.300 -0.043 0.000 1.096 4247 V CB 0.119 32.005 31.823 0.106 0.000 0.724 4247 V HN 0.798 nan 8.190 nan 0.000 0.467 4248 K N 0.817 121.087 120.400 -0.218 0.000 2.468 4248 K HA 0.396 4.707 4.320 -0.016 0.000 0.252 4248 K C -1.566 174.883 176.600 -0.251 0.000 0.932 4248 K CA -0.569 55.565 56.287 -0.256 0.000 0.794 4248 K CB 1.755 34.180 32.500 -0.125 0.000 1.241 4248 K HN 0.117 nan 8.250 nan 0.000 0.428 4249 N N 2.998 121.513 118.700 -0.308 0.000 2.503 4249 N HA 0.224 4.955 4.740 -0.016 0.000 0.287 4249 N C -0.925 174.418 175.510 -0.279 0.000 1.096 4249 N CA -0.383 52.508 53.050 -0.266 0.000 0.936 4249 N CB 1.829 40.141 38.487 -0.291 0.000 1.570 4249 N HN 0.673 nan 8.380 nan 0.000 0.504 4250 K N 2.318 122.592 120.400 -0.210 0.000 2.358 4250 K HA 0.288 4.599 4.320 -0.016 0.000 0.197 4250 K C 1.320 177.775 176.600 -0.241 0.000 1.025 4250 K CA 0.301 56.455 56.287 -0.221 0.000 1.104 4250 K CB 0.352 32.778 32.500 -0.124 0.000 0.855 4250 K HN 0.682 nan 8.250 nan 0.000 0.531 4251 I N -4.142 116.309 120.570 -0.199 0.000 4.139 4251 I HA 0.400 4.561 4.170 -0.016 0.000 0.335 4251 I C 0.234 176.258 176.117 -0.154 0.000 1.327 4251 I CA -0.446 60.763 61.300 -0.153 0.000 1.112 4251 I CB 0.886 38.835 38.000 -0.085 0.000 1.058 4251 I HN -0.171 nan 8.210 nan 0.000 0.396 4252 A N 1.172 123.873 122.820 -0.199 0.000 2.564 4252 A HA 0.798 5.108 4.320 -0.016 0.000 0.291 4252 A C -0.642 176.799 177.584 -0.239 0.000 1.102 4252 A CA -0.245 51.696 52.037 -0.160 0.000 0.660 4252 A CB 0.275 19.222 19.000 -0.088 0.000 1.283 4252 A HN 0.341 nan 8.150 nan 0.000 0.430 4253 A N 1.277 123.990 122.820 -0.178 0.000 2.561 4253 A HA 0.529 4.839 4.320 -0.016 0.000 0.234 4253 A C -1.965 175.433 177.584 -0.310 0.000 1.055 4253 A CA -0.015 51.861 52.037 -0.269 0.000 0.756 4253 A CB -0.763 18.227 19.000 -0.017 0.000 0.986 4253 A HN 0.565 nan 8.150 nan 0.000 0.505 4254 P HA 0.560 nan 4.420 nan 0.000 0.284 4254 P C -0.201 176.912 177.300 -0.312 0.000 1.292 4254 P CA -0.291 62.460 63.100 -0.580 0.000 0.800 4254 P CB 0.260 31.317 31.700 -1.071 0.000 1.188 4255 F N -4.472 115.463 119.950 -0.026 0.000 2.699 4255 F HA -0.188 4.329 4.527 -0.017 0.000 0.343 4255 F C 0.655 176.465 175.800 0.017 0.000 0.633 4255 F CA 0.579 58.586 58.000 0.011 0.000 1.365 4255 F CB -2.428 36.600 39.000 0.047 0.000 1.795 4255 F HN 0.234 nan 8.300 nan 0.000 0.304 4256 K N 1.262 121.731 120.400 0.115 0.000 2.107 4256 K HA 0.529 4.839 4.320 -0.016 0.000 0.251 4256 K C 0.453 177.093 176.600 0.066 0.000 1.012 4256 K CA -0.322 56.016 56.287 0.085 0.000 0.920 4256 K CB 0.818 33.348 32.500 0.049 0.000 1.033 4256 K HN 0.415 nan 8.250 nan 0.000 0.478 4257 Q N -0.308 119.526 119.800 0.057 0.000 2.456 4257 Q HA 0.734 5.064 4.340 -0.016 0.000 0.283 4257 Q C -1.718 174.310 176.000 0.045 0.000 1.084 4257 Q CA -1.294 54.535 55.803 0.044 0.000 0.801 4257 Q CB 2.075 30.834 28.738 0.035 0.000 1.434 4257 Q HN 0.529 nan 8.270 nan 0.000 0.419 4258 A N 1.256 124.108 122.820 0.055 0.000 2.365 4258 A HA 0.675 4.986 4.320 -0.016 0.000 0.318 4258 A C -1.215 176.386 177.584 0.029 0.000 1.091 4258 A CA -0.619 51.478 52.037 0.100 0.000 0.763 4258 A CB 1.709 20.835 19.000 0.209 0.000 1.248 4258 A HN 0.751 nan 8.150 nan 0.000 0.442 4259 E N 0.458 120.679 120.200 0.036 0.000 2.234 4259 E HA 0.652 4.992 4.350 -0.016 0.000 0.266 4259 E C -1.437 175.168 176.600 0.008 0.000 0.877 4259 E CA -0.302 56.032 56.400 -0.110 0.000 0.758 4259 E CB 1.933 31.590 29.700 -0.072 0.000 1.170 4259 E HN 0.610 nan 8.360 nan 0.000 0.415 4260 F N -0.893 119.045 119.950 -0.020 0.000 2.831 4260 F HA 0.453 4.970 4.527 -0.016 0.000 0.318 4260 F C -1.118 174.669 175.800 -0.022 0.000 1.174 4260 F CA -1.208 56.775 58.000 -0.028 0.000 0.918 4260 F CB 0.919 39.901 39.000 -0.030 0.000 1.364 4260 F HN 0.148 nan 8.300 nan 0.000 0.475 4261 Q N 1.251 121.213 119.800 0.270 0.000 2.245 4261 Q HA 0.655 4.986 4.340 -0.016 0.000 0.256 4261 Q C -1.174 174.976 176.000 0.250 0.000 0.942 4261 Q CA -0.768 55.120 55.803 0.143 0.000 0.896 4261 Q CB 2.874 31.643 28.738 0.052 0.000 1.272 4261 Q HN 0.580 nan 8.270 nan 0.000 0.442 4262 I N 3.467 124.124 120.570 0.145 0.000 2.328 4262 I HA 0.245 4.405 4.170 -0.016 0.000 0.287 4262 I C -0.665 175.426 176.117 -0.044 0.000 1.012 4262 I CA -0.453 60.932 61.300 0.141 0.000 1.195 4262 I CB 0.738 38.869 38.000 0.219 0.000 1.350 4262 I HN 0.353 nan 8.210 nan 0.000 0.464 4263 L N 6.981 128.189 121.223 -0.025 0.000 2.275 4263 L HA 0.357 4.688 4.340 -0.016 0.000 0.288 4263 L C -0.609 176.273 176.870 0.019 0.000 1.046 4263 L CA -0.899 53.867 54.840 -0.123 0.000 0.805 4263 L CB 0.345 42.379 42.059 -0.042 0.000 1.193 4263 L HN 0.377 nan 8.230 nan 0.000 0.426 4264 Y N 1.676 122.048 120.300 0.121 0.000 2.610 4264 Y HA 0.200 4.741 4.550 -0.016 0.000 0.332 4264 Y C 1.506 177.518 175.900 0.186 0.000 1.201 4264 Y CA 0.220 58.426 58.100 0.178 0.000 1.465 4264 Y CB -0.012 38.521 38.460 0.121 0.000 1.283 4264 Y HN 0.858 nan 8.280 nan 0.000 0.563 4265 G N 1.713 110.805 108.800 0.486 0.000 2.168 4265 G HA2 -0.369 3.582 3.960 -0.016 0.000 0.263 4265 G HA3 -0.369 3.582 3.960 -0.016 0.000 0.263 4265 G C 0.764 175.684 174.900 0.034 0.000 0.977 4265 G CA 0.862 46.111 45.100 0.249 0.000 0.659 4265 G HN 0.724 nan 8.290 nan 0.000 0.533 4266 E N -1.762 118.459 120.200 0.036 0.000 2.571 4266 E HA 0.454 4.794 4.350 -0.016 0.000 0.204 4266 E C 1.354 177.937 176.600 -0.028 0.000 0.851 4266 E CA 1.184 57.580 56.400 -0.006 0.000 1.358 4266 E CB 0.490 30.208 29.700 0.029 0.000 1.327 4266 E HN 1.754 nan 8.360 nan 0.000 0.665 4267 G N 0.950 109.763 108.800 0.023 0.000 2.428 4267 G HA2 -0.164 3.786 3.960 -0.016 0.000 0.202 4267 G HA3 -0.164 3.786 3.960 -0.016 0.000 0.202 4267 G C -0.634 174.298 174.900 0.054 0.000 1.247 4267 G CA -0.406 44.711 45.100 0.027 0.000 1.020 4267 G HN 0.172 nan 8.290 nan 0.000 0.529 4268 I N 1.709 122.293 120.570 0.023 0.000 2.664 4268 I HA 0.007 4.167 4.170 -0.016 0.000 0.284 4268 I C 0.862 176.998 176.117 0.031 0.000 1.154 4268 I CA -0.155 61.148 61.300 0.005 0.000 1.402 4268 I CB 0.485 38.368 38.000 -0.195 0.000 1.395 4268 I HN 0.473 nan 8.210 nan 0.000 0.545 4269 N N 6.888 125.632 118.700 0.073 0.000 2.543 4269 N HA -0.122 4.609 4.740 -0.016 0.000 0.289 4269 N C 0.637 176.181 175.510 0.057 0.000 1.223 4269 N CA 0.363 53.461 53.050 0.080 0.000 1.080 4269 N CB -0.132 38.398 38.487 0.072 0.000 1.450 4269 N HN 0.508 nan 8.380 nan 0.000 0.501 4270 F N 3.332 123.208 119.950 -0.122 0.000 2.102 4270 F HA -0.171 4.347 4.527 -0.016 0.000 0.298 4270 F C 0.934 176.602 175.800 -0.220 0.000 1.105 4270 F CA 1.489 59.346 58.000 -0.239 0.000 1.239 4270 F CB -0.146 38.614 39.000 -0.400 0.000 0.991 4270 F HN 0.418 nan 8.300 nan 0.000 0.474 4271 Y N 0.444 120.796 120.300 0.086 0.000 2.373 4271 Y HA 0.035 4.576 4.550 -0.016 0.000 0.293 4271 Y C 2.619 178.458 175.900 -0.103 0.000 1.129 4271 Y CA 0.897 58.988 58.100 -0.015 0.000 1.226 4271 Y CB -1.256 37.247 38.460 0.072 0.000 1.000 4271 Y HN 0.141 nan 8.280 nan 0.000 0.549 4272 G N 0.025 108.855 108.800 0.050 0.000 2.433 4272 G HA2 -0.256 3.694 3.960 -0.016 0.000 0.216 4272 G HA3 -0.256 3.694 3.960 -0.016 0.000 0.216 4272 G C 1.491 176.354 174.900 -0.063 0.000 1.186 4272 G CA 1.074 46.170 45.100 -0.007 0.000 0.779 4272 G HN 0.397 nan 8.290 nan 0.000 0.543 4273 E N -0.267 119.859 120.200 -0.123 0.000 2.070 4273 E HA -0.164 4.177 4.350 -0.016 0.000 0.197 4273 E C 2.401 178.881 176.600 -0.200 0.000 1.004 4273 E CA 0.954 57.256 56.400 -0.162 0.000 0.805 4273 E CB -0.239 29.302 29.700 -0.265 0.000 0.744 4273 E HN 0.302 nan 8.360 nan 0.000 0.451 4274 L N 0.673 121.711 121.223 -0.308 0.000 2.042 4274 L HA -0.179 4.151 4.340 -0.016 0.000 0.210 4274 L C 2.208 179.033 176.870 -0.075 0.000 1.076 4274 L CA 1.371 56.076 54.840 -0.224 0.000 0.749 4274 L CB -0.393 41.539 42.059 -0.212 0.000 0.893 4274 L HN -0.023 nan 8.230 nan 0.000 0.432 4275 V N -0.202 119.682 119.914 -0.050 0.000 2.220 4275 V HA -0.332 3.778 4.120 -0.016 0.000 0.246 4275 V C 2.323 178.425 176.094 0.015 0.000 1.049 4275 V CA 2.081 64.360 62.300 -0.034 0.000 1.003 4275 V CB -0.795 30.950 31.823 -0.131 0.000 0.634 4275 V HN 0.421 nan 8.190 nan 0.000 0.444 4276 D N -0.052 120.350 120.400 0.004 0.000 2.116 4276 D HA -0.163 4.468 4.640 -0.016 0.000 0.193 4276 D C 2.043 178.363 176.300 0.033 0.000 0.998 4276 D CA 1.163 55.185 54.000 0.037 0.000 0.836 4276 D CB -0.361 40.451 40.800 0.020 0.000 0.951 4276 D HN 0.163 nan 8.370 nan 0.000 0.449 4277 L N 0.624 121.847 121.223 -0.001 0.000 2.046 4277 L HA -0.033 4.298 4.340 -0.016 0.000 0.208 4277 L C 2.536 179.422 176.870 0.028 0.000 1.077 4277 L CA 1.659 56.500 54.840 0.001 0.000 0.747 4277 L CB -1.635 40.402 42.059 -0.037 0.000 0.896 4277 L HN 0.082 nan 8.230 nan 0.000 0.432 4278 G N -1.069 107.752 108.800 0.035 0.000 2.446 4278 G HA2 -0.194 3.757 3.960 -0.016 0.000 0.217 4278 G HA3 -0.194 3.757 3.960 -0.016 0.000 0.217 4278 G C 1.758 176.718 174.900 0.101 0.000 1.168 4278 G CA 1.030 46.173 45.100 0.072 0.000 0.771 4278 G HN 0.272 nan 8.290 nan 0.000 0.551 4279 V N 0.782 120.764 119.914 0.114 0.000 2.295 4279 V HA -0.141 3.969 4.120 -0.016 0.000 0.246 4279 V C 2.699 178.842 176.094 0.081 0.000 1.049 4279 V CA 2.187 64.562 62.300 0.124 0.000 1.024 4279 V CB -0.368 31.558 31.823 0.172 0.000 0.648 4279 V HN 0.396 nan 8.190 nan 0.000 0.447 4280 K N -0.157 120.282 120.400 0.066 0.000 2.103 4280 K HA -0.194 4.116 4.320 -0.016 0.000 0.207 4280 K C 1.751 178.379 176.600 0.046 0.000 1.048 4280 K CA 1.407 57.723 56.287 0.049 0.000 0.930 4280 K CB -0.004 32.520 32.500 0.040 0.000 0.716 4280 K HN 0.365 nan 8.250 nan 0.000 0.444 4281 E N 0.718 120.949 120.200 0.052 0.000 2.465 4281 E HA -0.009 4.331 4.350 -0.016 0.000 0.191 4281 E C -0.221 176.414 176.600 0.058 0.000 1.053 4281 E CA 0.141 56.572 56.400 0.051 0.000 0.869 4281 E CB 0.474 30.204 29.700 0.051 0.000 0.977 4281 E HN 0.182 nan 8.360 nan 0.000 0.483 4282 K N -0.137 120.300 120.400 0.063 0.000 3.129 4282 K HA -0.193 4.118 4.320 -0.016 0.000 0.273 4282 K C 0.888 177.536 176.600 0.081 0.000 1.123 4282 K CA 0.445 56.769 56.287 0.062 0.000 0.800 4282 K CB -2.123 30.402 32.500 0.041 0.000 1.238 4282 K HN 0.250 nan 8.250 nan 0.000 0.492 4283 L N -0.552 120.742 121.223 0.118 0.000 2.298 4283 L HA 0.233 4.564 4.340 -0.016 0.000 0.209 4283 L C 1.154 178.183 176.870 0.264 0.000 1.084 4283 L CA 0.452 55.402 54.840 0.182 0.000 0.816 4283 L CB 0.172 42.357 42.059 0.210 0.000 0.967 4283 L HN 0.104 nan 8.230 nan 0.000 0.460 4284 I N 0.051 120.756 120.570 0.224 0.000 2.378 4284 I HA 0.198 4.358 4.170 -0.016 0.000 0.291 4284 I C -0.168 176.048 176.117 0.164 0.000 0.992 4284 I CA -0.550 60.899 61.300 0.249 0.000 1.154 4284 I CB 1.965 40.113 38.000 0.247 0.000 1.315 4284 I HN -0.075 nan 8.210 nan 0.000 0.448 4285 E N 6.103 126.379 120.200 0.126 0.000 2.301 4285 E HA 0.253 4.594 4.350 -0.016 0.000 0.275 4285 E C -0.739 175.869 176.600 0.013 0.000 1.030 4285 E CA -0.296 56.136 56.400 0.053 0.000 0.852 4285 E CB 0.980 30.692 29.700 0.020 0.000 1.060 4285 E HN 0.322 nan 8.360 nan 0.000 0.401 4286 K N 2.739 123.101 120.400 -0.063 0.000 2.616 4286 K HA 0.525 4.836 4.320 -0.016 0.000 0.241 4286 K C -1.722 174.792 176.600 -0.142 0.000 0.961 4286 K CA -0.634 55.521 56.287 -0.220 0.000 0.942 4286 K CB 1.078 33.378 32.500 -0.333 0.000 1.153 4286 K HN 0.505 nan 8.250 nan 0.000 0.452 4287 A N 3.387 126.153 122.820 -0.089 0.000 2.444 4287 A HA 0.604 4.915 4.320 -0.016 0.000 0.332 4287 A C 0.800 178.380 177.584 -0.007 0.000 1.430 4287 A CA 0.385 52.404 52.037 -0.030 0.000 0.975 4287 A CB 0.125 19.127 19.000 0.003 0.000 1.147 4287 A HN 1.021 nan 8.150 nan 0.000 0.524 4288 G N 1.984 110.757 108.800 -0.045 0.000 2.687 4288 G HA2 -0.071 3.879 3.960 -0.016 0.000 0.303 4288 G HA3 -0.071 3.879 3.960 -0.016 0.000 0.303 4288 G C 1.292 176.125 174.900 -0.111 0.000 1.209 4288 G CA 0.908 45.983 45.100 -0.042 0.000 0.968 4288 G HN 1.992 nan 8.290 nan 0.000 0.549 4289 A N -0.884 121.875 122.820 -0.101 0.000 2.303 4289 A HA 0.515 4.825 4.320 -0.016 0.000 0.217 4289 A C 0.609 178.033 177.584 -0.267 0.000 1.205 4289 A CA 0.448 52.370 52.037 -0.192 0.000 0.875 4289 A CB 0.054 18.938 19.000 -0.193 0.000 0.910 4289 A HN 0.565 nan 8.150 nan 0.000 0.501 4290 W N -0.067 121.143 121.300 -0.151 0.000 2.335 4290 W HA 0.500 5.150 4.660 -0.016 0.000 0.306 4290 W C -0.721 175.678 176.519 -0.199 0.000 1.216 4290 W CA -0.063 57.223 57.345 -0.098 0.000 1.237 4290 W CB 0.338 29.758 29.460 -0.066 0.000 1.243 4290 W HN 0.235 nan 8.180 nan 0.000 0.493 4291 Y N 2.576 123.014 120.300 0.229 0.000 2.320 4291 Y HA 0.453 4.993 4.550 -0.016 0.000 0.334 4291 Y C 0.519 176.477 175.900 0.096 0.000 1.055 4291 Y CA -0.325 57.846 58.100 0.118 0.000 1.143 4291 Y CB 1.385 39.872 38.460 0.044 0.000 1.193 4291 Y HN 0.141 nan 8.280 nan 0.000 0.477 4292 S N 2.341 118.147 115.700 0.175 0.000 2.526 4292 S HA 0.432 4.893 4.470 -0.016 0.000 0.293 4292 S C -1.981 172.684 174.600 0.108 0.000 1.092 4292 S CA -0.807 57.432 58.200 0.065 0.000 0.980 4292 S CB 1.417 64.623 63.200 0.010 0.000 1.048 4292 S HN 0.492 nan 8.310 nan 0.000 0.483 4293 Y N 2.554 122.783 120.300 -0.119 0.000 2.350 4293 Y HA 0.380 4.921 4.550 -0.016 0.000 0.338 4293 Y C 0.123 175.998 175.900 -0.041 0.000 0.961 4293 Y CA -1.046 57.016 58.100 -0.063 0.000 1.100 4293 Y CB 0.713 39.133 38.460 -0.067 0.000 1.179 4293 Y HN 0.798 nan 8.280 nan 0.000 0.454 4294 K N 4.844 124.908 120.400 -0.560 0.000 3.177 4294 K HA -0.274 4.037 4.320 -0.016 0.000 0.266 4294 K C 0.956 177.434 176.600 -0.203 0.000 0.937 4294 K CA 1.029 57.054 56.287 -0.437 0.000 0.702 4294 K CB -1.672 30.482 32.500 -0.578 0.000 1.365 4294 K HN 1.301 nan 8.250 nan 0.000 0.466 4295 G N -0.127 108.588 108.800 -0.142 0.000 2.320 4295 G HA2 -0.347 3.603 3.960 -0.016 0.000 0.242 4295 G HA3 -0.347 3.603 3.960 -0.016 0.000 0.242 4295 G C -0.105 174.737 174.900 -0.096 0.000 1.033 4295 G CA 0.433 45.472 45.100 -0.102 0.000 0.620 4295 G HN 0.459 nan 8.290 nan 0.000 0.517 4296 E N 1.538 121.683 120.200 -0.092 0.000 2.200 4296 E HA 0.379 4.719 4.350 -0.016 0.000 0.283 4296 E C 0.079 176.596 176.600 -0.137 0.000 1.015 4296 E CA -0.514 55.830 56.400 -0.093 0.000 0.819 4296 E CB 0.433 30.107 29.700 -0.044 0.000 1.081 4296 E HN 0.367 nan 8.360 nan 0.000 0.397 4297 K N 4.159 124.468 120.400 -0.151 0.000 2.412 4297 K HA 0.074 4.385 4.320 -0.016 0.000 0.281 4297 K C 1.156 177.640 176.600 -0.193 0.000 1.027 4297 K CA 0.196 56.409 56.287 -0.124 0.000 0.989 4297 K CB 0.520 32.883 32.500 -0.227 0.000 0.935 4297 K HN 0.534 nan 8.250 nan 0.000 0.475 4298 I N -1.520 118.916 120.570 -0.224 0.000 4.187 4298 I HA 0.330 4.490 4.170 -0.016 0.000 0.326 4298 I C 0.564 176.569 176.117 -0.186 0.000 1.302 4298 I CA -0.323 60.584 61.300 -0.654 0.000 1.196 4298 I CB 1.037 38.338 38.000 -1.164 0.000 1.095 4298 I HN 0.567 nan 8.210 nan 0.000 0.411 4299 G N 1.339 110.223 108.800 0.141 0.000 2.384 4299 G HA2 0.192 4.143 3.960 -0.016 0.000 0.300 4299 G HA3 0.192 4.143 3.960 -0.016 0.000 0.300 4299 G C -2.107 172.767 174.900 -0.044 0.000 1.582 4299 G CA -0.685 44.480 45.100 0.107 0.000 0.875 4299 G HN 0.204 nan 8.290 nan 0.000 0.628 4300 Q N 0.347 119.836 119.800 -0.518 0.000 2.303 4300 Q HA 0.553 4.884 4.340 -0.016 0.000 0.257 4300 Q C 0.443 176.273 176.000 -0.283 0.000 0.941 4300 Q CA 0.544 55.866 55.803 -0.801 0.000 0.931 4300 Q CB 1.112 29.030 28.738 -1.367 0.000 1.215 4300 Q HN 2.387 nan 8.270 nan 0.000 0.437 4301 G N 3.003 111.775 108.800 -0.048 0.000 2.722 4301 G HA2 -0.254 3.696 3.960 -0.016 0.000 0.686 4301 G HA3 -0.254 3.696 3.960 -0.016 0.000 0.686 4301 G C 0.015 174.936 174.900 0.035 0.000 1.282 4301 G CA -0.026 45.112 45.100 0.062 0.000 0.817 4301 G HN 0.796 nan 8.290 nan 0.000 0.605 4302 K N 1.012 121.424 120.400 0.020 0.000 2.074 4302 K HA -0.056 4.254 4.320 -0.016 0.000 0.209 4302 K C 2.995 179.478 176.600 -0.195 0.000 1.048 4302 K CA 2.560 58.703 56.287 -0.239 0.000 0.926 4302 K CB -0.361 32.092 32.500 -0.077 0.000 0.713 4302 K HN 1.201 nan 8.250 nan 0.000 0.444 4303 A N 1.273 124.037 122.820 -0.094 0.000 1.903 4303 A HA -0.268 4.043 4.320 -0.016 0.000 0.219 4303 A C 1.797 179.343 177.584 -0.064 0.000 1.191 4303 A CA 2.201 54.199 52.037 -0.065 0.000 0.638 4303 A CB -0.892 18.083 19.000 -0.043 0.000 0.823 4303 A HN 0.567 nan 8.150 nan 0.000 0.451 4304 N N -0.543 118.113 118.700 -0.073 0.000 2.250 4304 N HA 0.028 4.759 4.740 -0.016 0.000 0.181 4304 N C 2.016 177.520 175.510 -0.010 0.000 1.017 4304 N CA 0.762 53.791 53.050 -0.035 0.000 0.866 4304 N CB -0.205 38.254 38.487 -0.046 0.000 0.985 4304 N HN 0.499 nan 8.380 nan 0.000 0.429 4305 A N 0.878 123.629 122.820 -0.115 0.000 1.908 4305 A HA -0.155 4.155 4.320 -0.016 0.000 0.218 4305 A C 2.278 179.847 177.584 -0.024 0.000 1.181 4305 A CA 1.781 53.743 52.037 -0.126 0.000 0.627 4305 A CB -1.052 17.636 19.000 -0.520 0.000 0.818 4305 A HN 0.211 nan 8.150 nan 0.000 0.445 4306 T N 0.495 115.000 114.554 -0.083 0.000 2.684 4306 T HA -0.086 4.254 4.350 -0.016 0.000 0.267 4306 T C 2.224 176.903 174.700 -0.035 0.000 1.036 4306 T CA 1.812 63.898 62.100 -0.024 0.000 1.148 4306 T CB -0.569 68.290 68.868 -0.015 0.000 0.863 4306 T HN 0.629 nan 8.240 nan 0.000 0.436 4307 A N 0.249 123.059 122.820 -0.017 0.000 1.940 4307 A HA -0.131 4.179 4.320 -0.016 0.000 0.219 4307 A C 2.053 179.619 177.584 -0.030 0.000 1.176 4307 A CA 1.615 53.633 52.037 -0.032 0.000 0.631 4307 A CB -1.134 17.867 19.000 0.002 0.000 0.814 4307 A HN 0.715 nan 8.150 nan 0.000 0.446 4308 W N 0.429 121.657 121.300 -0.120 0.000 2.381 4308 W HA -0.099 4.551 4.660 -0.016 0.000 0.301 4308 W C 1.808 178.233 176.519 -0.157 0.000 1.205 4308 W CA 1.775 59.060 57.345 -0.099 0.000 1.285 4308 W CB -0.244 29.191 29.460 -0.043 0.000 1.133 4308 W HN 0.250 nan 8.180 nan 0.000 0.521 4309 L N 0.539 121.749 121.223 -0.023 0.000 2.046 4309 L HA -0.219 4.111 4.340 -0.016 0.000 0.208 4309 L C 2.559 179.020 176.870 -0.683 0.000 1.077 4309 L CA 1.585 56.265 54.840 -0.266 0.000 0.747 4309 L CB -0.913 41.127 42.059 -0.032 0.000 0.896 4309 L HN -0.090 nan 8.230 nan 0.000 0.432 4310 K N -0.073 119.817 120.400 -0.850 0.000 2.103 4310 K HA -0.246 4.065 4.320 -0.016 0.000 0.207 4310 K C 1.581 177.872 176.600 -0.514 0.000 1.048 4310 K CA 1.869 57.597 56.287 -0.931 0.000 0.930 4310 K CB -0.003 32.182 32.500 -0.526 0.000 0.716 4310 K HN 0.183 nan 8.250 nan 0.000 0.444 4311 D N -0.234 119.896 120.400 -0.449 0.000 2.249 4311 D HA -0.029 4.602 4.640 -0.016 0.000 0.205 4311 D C -0.418 175.607 176.300 -0.459 0.000 0.962 4311 D CA 0.672 54.442 54.000 -0.383 0.000 0.860 4311 D CB 0.200 40.795 40.800 -0.341 0.000 0.955 4311 D HN 0.098 nan 8.370 nan 0.000 0.505 4312 N N 0.020 118.334 118.700 -0.644 0.000 2.976 4312 N HA 0.210 4.940 4.740 -0.016 0.000 0.255 4312 N C -2.159 173.125 175.510 -0.377 0.000 1.312 4312 N CA -1.134 51.554 53.050 -0.603 0.000 0.897 4312 N CB 1.761 39.602 38.487 -1.076 0.000 1.184 4312 N HN 0.014 nan 8.380 nan 0.000 0.497 4313 P HA -0.116 nan 4.420 nan 0.000 0.221 4313 P C 0.897 178.168 177.300 -0.048 0.000 1.150 4313 P CA 1.053 64.094 63.100 -0.097 0.000 0.800 4313 P CB 0.461 32.124 31.700 -0.061 0.000 0.787 4314 E N -0.507 119.650 120.200 -0.072 0.000 2.072 4314 E HA -0.104 4.237 4.350 -0.016 0.000 0.191 4314 E C 1.820 178.415 176.600 -0.009 0.000 0.985 4314 E CA 1.475 57.858 56.400 -0.029 0.000 0.801 4314 E CB -1.764 27.920 29.700 -0.026 0.000 0.750 4314 E HN 0.251 nan 8.360 nan 0.000 0.452 4315 T N 1.724 116.253 114.554 -0.043 0.000 2.821 4315 T HA -0.022 4.319 4.350 -0.016 0.000 0.267 4315 T C 2.053 176.730 174.700 -0.039 0.000 1.046 4315 T CA 1.406 63.498 62.100 -0.014 0.000 1.139 4315 T CB -0.253 68.613 68.868 -0.003 0.000 0.871 4315 T HN 0.317 nan 8.240 nan 0.000 0.454 4316 A N 2.166 124.971 122.820 -0.026 0.000 1.883 4316 A HA -0.153 4.158 4.320 -0.016 0.000 0.217 4316 A C 2.301 179.950 177.584 0.108 0.000 1.186 4316 A CA 1.315 53.401 52.037 0.083 0.000 0.624 4316 A CB -0.349 18.789 19.000 0.230 0.000 0.822 4316 A HN 0.200 nan 8.150 nan 0.000 0.444 4317 K N -0.146 120.305 120.400 0.085 0.000 2.063 4317 K HA -0.189 4.122 4.320 -0.016 0.000 0.208 4317 K C 1.917 178.555 176.600 0.064 0.000 1.048 4317 K CA 1.667 57.998 56.287 0.073 0.000 0.928 4317 K CB -0.559 31.967 32.500 0.043 0.000 0.713 4317 K HN 0.799 nan 8.250 nan 0.000 0.442 4318 E N 0.632 120.867 120.200 0.057 0.000 2.058 4318 E HA -0.157 4.183 4.350 -0.016 0.000 0.194 4318 E C 2.103 178.749 176.600 0.077 0.000 0.997 4318 E CA 1.066 57.511 56.400 0.075 0.000 0.801 4318 E CB -0.051 29.712 29.700 0.106 0.000 0.746 4318 E HN 0.234 nan 8.360 nan 0.000 0.450 4319 I N 0.953 121.545 120.570 0.038 0.000 2.226 4319 I HA -0.239 3.921 4.170 -0.016 0.000 0.245 4319 I C 2.721 178.868 176.117 0.050 0.000 1.100 4319 I CA 1.261 62.579 61.300 0.030 0.000 1.374 4319 I CB -0.380 37.581 38.000 -0.065 0.000 1.057 4319 I HN 0.258 nan 8.210 nan 0.000 0.413 4320 E N 1.578 121.815 120.200 0.061 0.000 2.077 4320 E HA -0.300 4.040 4.350 -0.016 0.000 0.193 4320 E C 2.225 178.862 176.600 0.062 0.000 0.989 4320 E CA 1.393 57.835 56.400 0.069 0.000 0.800 4320 E CB 0.025 29.808 29.700 0.138 0.000 0.746 4320 E HN 0.333 nan 8.360 nan 0.000 0.452 4321 K N 0.689 121.127 120.400 0.063 0.000 2.063 4321 K HA -0.198 4.112 4.320 -0.016 0.000 0.208 4321 K C 2.089 178.720 176.600 0.051 0.000 1.048 4321 K CA 1.644 57.963 56.287 0.053 0.000 0.928 4321 K CB 0.076 32.606 32.500 0.051 0.000 0.713 4321 K HN -0.046 nan 8.250 nan 0.000 0.442 4322 K N -0.061 120.375 120.400 0.061 0.000 2.057 4322 K HA -0.065 4.246 4.320 -0.016 0.000 0.206 4322 K C 1.950 178.581 176.600 0.052 0.000 1.050 4322 K CA 1.173 57.498 56.287 0.063 0.000 0.935 4322 K CB 0.057 32.608 32.500 0.086 0.000 0.715 4322 K HN -0.040 nan 8.250 nan 0.000 0.439 4323 V N 1.343 121.285 119.914 0.047 0.000 2.343 4323 V HA -0.265 3.845 4.120 -0.016 0.000 0.247 4323 V C 2.181 178.292 176.094 0.027 0.000 1.051 4323 V CA 1.722 64.042 62.300 0.032 0.000 1.036 4323 V CB -0.435 31.396 31.823 0.013 0.000 0.654 4323 V HN 0.270 nan 8.190 nan 0.000 0.451 4324 R N -0.279 120.239 120.500 0.030 0.000 2.066 4324 R HA -0.147 4.183 4.340 -0.016 0.000 0.232 4324 R C 2.355 178.672 176.300 0.027 0.000 1.131 4324 R CA 1.619 57.735 56.100 0.027 0.000 0.955 4324 R CB -0.297 30.022 30.300 0.031 0.000 0.851 4324 R HN 0.599 nan 8.270 nan 0.000 0.432 4325 E N 0.583 120.802 120.200 0.031 0.000 2.085 4325 E HA -0.203 4.137 4.350 -0.016 0.000 0.194 4325 E C 1.985 178.603 176.600 0.030 0.000 0.994 4325 E CA 1.113 57.531 56.400 0.030 0.000 0.801 4325 E CB -0.069 29.651 29.700 0.033 0.000 0.743 4325 E HN 0.287 nan 8.360 nan 0.000 0.453 4326 L N 0.019 121.261 121.223 0.032 0.000 2.156 4326 L HA -0.116 4.215 4.340 -0.016 0.000 0.208 4326 L C 2.045 178.932 176.870 0.029 0.000 1.095 4326 L CA 0.801 55.660 54.840 0.031 0.000 0.770 4326 L CB 0.054 42.134 42.059 0.035 0.000 0.914 4326 L HN 0.150 nan 8.230 nan 0.000 0.439 4327 L N -1.614 119.624 121.223 0.026 0.000 2.672 4327 L HA 0.189 4.519 4.340 -0.016 0.000 0.236 4327 L C 0.802 177.686 176.870 0.022 0.000 1.092 4327 L CA -0.286 54.569 54.840 0.024 0.000 0.887 4327 L CB 0.399 42.471 42.059 0.021 0.000 1.168 4327 L HN 0.081 nan 8.230 nan 0.000 0.502 4328 L N 0.000 121.236 121.223 0.021 0.000 2.949 4328 L HA 0.000 4.330 4.340 -0.016 0.000 0.249 4328 L CA 0.000 54.851 54.840 0.018 0.000 0.813 4328 L CB 0.000 42.069 42.059 0.016 0.000 0.961 4328 L HN 0.000 nan 8.230 nan 0.000 0.502