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 1d7k_1_A DATA FIRST_RESID 7 DATA SEQUENCE EEFDCHFLDE GFTAKDILDQ KINEVSSSDD KDAFYVADLG DILKKHLRWL DATA SEQUENCE KALPRVTPFY AVXCNDSKAI VKTLAATGTG FDCASKTEIQ LVQSLGVPPE DATA SEQUENCE RIIYANPCKQ VSQIKYAANN GVQMMTFDSE VELMKVARAH PKAKLVLRIA DATA SEQUENCE TDDSKAVCRL SVKFGATLRT SRLLLERAKE LNIDVVGVSF HVGSGCTDPE DATA SEQUENCE TFVQAISDAR CVFDMGAEVG FSMYLLDIGG GFPGSEDVKL KFEEITGVIN DATA SEQUENCE PALDKYFPSD SGVRIIAEPG RYYVASAFTL AVNIIAKKIV LKEQTXXXXX DATA SEQUENCE XXXXEQTFMY YVNDGVYGSF NCILYDHAHV KPLLQKRPKP DERYYSSSIW DATA SEQUENCE GPTCDGLDRI VERCDLPEMH VGDWMLFENM GAYTVAAAST FNGFQRPTIY DATA SEQUENCE YVMSGPAWQL MQQFQNPDFP P 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.319 176.600 -0.469 0.000 1.382 7 E CA 0.000 56.023 56.400 -0.629 0.000 0.976 7 E CB 0.000 29.050 29.700 -1.083 0.000 0.812 8 E N -0.758 119.083 120.200 -0.600 0.000 2.684 8 E HA 0.203 4.554 4.350 0.001 0.000 0.204 8 E C 0.399 176.854 176.600 -0.242 0.000 0.900 8 E CA 0.218 56.444 56.400 -0.289 0.000 1.481 8 E CB 0.302 29.941 29.700 -0.101 0.000 1.468 8 E HN 0.432 nan 8.360 nan 0.000 0.778 9 F N 2.044 121.954 119.950 -0.067 0.000 2.587 9 F HA 0.160 4.687 4.527 0.001 0.000 0.319 9 F C 0.554 176.319 175.800 -0.058 0.000 1.253 9 F CA -0.434 57.540 58.000 -0.043 0.000 1.345 9 F CB 0.016 38.987 39.000 -0.049 0.000 1.172 9 F HN -0.284 nan 8.300 nan 0.000 0.588 10 D N 0.986 121.569 120.400 0.305 0.000 2.517 10 D HA 0.161 4.801 4.640 0.001 0.000 0.220 10 D C -1.232 175.169 176.300 0.167 0.000 1.158 10 D CA 0.064 54.137 54.000 0.121 0.000 0.992 10 D CB 0.005 40.853 40.800 0.079 0.000 1.058 10 D HN 0.795 nan 8.370 nan 0.000 0.516 11 C N 4.079 123.316 119.300 -0.105 0.000 2.379 11 C HA 0.576 5.037 4.460 0.001 0.000 0.323 11 C C -0.709 173.912 174.990 -0.614 0.000 1.262 11 C CA -0.532 58.407 59.018 -0.132 0.000 1.581 11 C CB -0.126 27.627 27.740 0.022 0.000 2.221 11 C HN 0.637 nan 8.230 nan 0.000 0.497 12 H N 3.172 122.151 119.070 -0.151 0.000 2.572 12 H HA 0.534 5.091 4.556 0.001 0.000 0.359 12 H C -0.732 174.424 175.328 -0.287 0.000 1.134 12 H CA -0.259 55.633 56.048 -0.260 0.000 1.187 12 H CB 1.229 30.945 29.762 -0.078 0.000 1.597 12 H HN 0.609 nan 8.280 nan 0.000 0.524 13 F N 1.908 121.917 119.950 0.099 0.000 2.389 13 F HA 0.198 4.726 4.527 0.002 0.000 0.337 13 F C 0.411 176.250 175.800 0.066 0.000 1.112 13 F CA -0.866 57.163 58.000 0.048 0.000 1.192 13 F CB 0.616 39.587 39.000 -0.047 0.000 1.185 13 F HN 0.123 nan 8.300 nan 0.000 0.552 14 L N 2.231 123.622 121.223 0.280 0.000 2.452 14 L HA 0.147 4.488 4.340 0.001 0.000 0.267 14 L C -0.053 176.902 176.870 0.142 0.000 1.188 14 L CA -0.482 54.468 54.840 0.184 0.000 0.821 14 L CB 0.226 42.398 42.059 0.189 0.000 1.102 14 L HN 0.539 nan 8.230 nan 0.000 0.470 15 D N 0.526 120.977 120.400 0.086 0.000 2.312 15 D HA 0.115 4.756 4.640 0.001 0.000 0.248 15 D C 0.570 176.952 176.300 0.138 0.000 1.086 15 D CA -0.420 53.608 54.000 0.047 0.000 0.948 15 D CB 1.190 41.930 40.800 -0.100 0.000 1.162 15 D HN 0.502 nan 8.370 nan 0.000 0.446 16 E N 0.842 121.110 120.200 0.114 0.000 1.954 16 E HA -0.170 4.180 4.350 0.001 0.000 0.240 16 E C 1.666 178.404 176.600 0.231 0.000 0.886 16 E CA 1.194 57.678 56.400 0.139 0.000 1.118 16 E CB -1.124 28.635 29.700 0.099 0.000 0.804 16 E HN 0.476 nan 8.360 nan 0.000 0.604 17 G N -0.531 108.425 108.800 0.260 0.000 3.135 17 G HA2 0.093 4.054 3.960 0.001 0.000 0.208 17 G HA3 0.093 4.054 3.960 0.001 0.000 0.208 17 G C -0.685 174.204 174.900 -0.018 0.000 1.212 17 G CA -0.234 44.944 45.100 0.131 0.000 0.928 17 G HN 0.095 nan 8.290 nan 0.000 0.500 18 F N 0.891 120.853 119.950 0.020 0.000 2.427 18 F HA 0.515 5.042 4.527 0.000 0.000 0.346 18 F C 0.764 176.581 175.800 0.029 0.000 1.120 18 F CA -0.706 57.305 58.000 0.017 0.000 1.033 18 F CB 2.132 41.138 39.000 0.011 0.000 1.126 18 F HN 0.024 nan 8.300 nan 0.000 0.462 19 T N -0.514 114.099 114.554 0.100 0.000 2.888 19 T HA 0.699 5.049 4.350 0.001 0.000 0.288 19 T C 0.799 175.540 174.700 0.069 0.000 1.063 19 T CA -0.255 61.883 62.100 0.063 0.000 1.010 19 T CB 1.630 70.498 68.868 -0.000 0.000 1.214 19 T HN 0.514 nan 8.240 nan 0.000 0.533 20 A N 0.627 123.481 122.820 0.057 0.000 1.898 20 A HA 0.042 4.363 4.320 0.001 0.000 0.216 20 A C 2.227 179.831 177.584 0.033 0.000 1.181 20 A CA 1.963 54.031 52.037 0.052 0.000 0.620 20 A CB -0.982 18.044 19.000 0.044 0.000 0.819 20 A HN 0.940 nan 8.150 nan 0.000 0.442 21 K N -0.278 120.133 120.400 0.018 0.000 2.211 21 K HA -0.152 4.168 4.320 0.001 0.000 0.203 21 K C 1.082 177.679 176.600 -0.006 0.000 1.050 21 K CA 1.581 57.869 56.287 0.002 0.000 0.945 21 K CB -0.099 32.397 32.500 -0.007 0.000 0.732 21 K HN 0.376 nan 8.250 nan 0.000 0.451 22 D N 0.520 120.918 120.400 -0.004 0.000 2.149 22 D HA -0.105 4.536 4.640 0.001 0.000 0.201 22 D C 1.753 178.088 176.300 0.058 0.000 0.972 22 D CA 0.804 54.807 54.000 0.006 0.000 0.835 22 D CB 0.074 40.863 40.800 -0.017 0.000 0.966 22 D HN 0.213 nan 8.370 nan 0.000 0.476 23 I N 0.841 121.447 120.570 0.060 0.000 2.439 23 I HA -0.164 4.006 4.170 0.001 0.000 0.251 23 I C 2.354 178.458 176.117 -0.021 0.000 1.139 23 I CA 0.447 61.762 61.300 0.025 0.000 1.438 23 I CB -0.609 37.404 38.000 0.022 0.000 1.085 23 I HN 0.049 nan 8.210 nan 0.000 0.427 24 L N 1.511 122.736 121.223 0.004 0.000 1.970 24 L HA -0.220 4.121 4.340 0.001 0.000 0.212 24 L C 2.073 178.923 176.870 -0.033 0.000 1.071 24 L CA 2.082 56.932 54.840 0.017 0.000 0.751 24 L CB -0.978 41.085 42.059 0.008 0.000 0.889 24 L HN 0.135 nan 8.230 nan 0.000 0.432 25 D N -0.367 120.010 120.400 -0.038 0.000 2.127 25 D HA -0.321 4.320 4.640 0.001 0.000 0.190 25 D C 2.043 178.306 176.300 -0.063 0.000 1.000 25 D CA 1.933 55.903 54.000 -0.049 0.000 0.839 25 D CB -0.564 40.221 40.800 -0.025 0.000 0.955 25 D HN 0.678 nan 8.370 nan 0.000 0.446 26 Q N 0.811 120.586 119.800 -0.042 0.000 2.082 26 Q HA -0.276 4.064 4.340 0.001 0.000 0.211 26 Q C 1.989 177.908 176.000 -0.135 0.000 1.002 26 Q CA 2.134 57.899 55.803 -0.064 0.000 0.868 26 Q CB -0.131 28.578 28.738 -0.047 0.000 0.931 26 Q HN 0.191 nan 8.270 nan 0.000 0.414 27 K N 0.114 120.392 120.400 -0.203 0.000 2.314 27 K HA -0.023 4.297 4.320 0.001 0.000 0.198 27 K C 2.075 178.446 176.600 -0.381 0.000 1.045 27 K CA 0.688 56.768 56.287 -0.345 0.000 0.988 27 K CB -0.019 32.162 32.500 -0.532 0.000 0.783 27 K HN 0.474 nan 8.250 nan 0.000 0.484 28 I N -1.496 118.872 120.570 -0.336 0.000 2.928 28 I HA 0.007 4.178 4.170 0.001 0.000 0.266 28 I C 0.525 176.556 176.117 -0.143 0.000 1.234 28 I CA 0.983 62.026 61.300 -0.427 0.000 1.483 28 I CB 0.043 37.603 38.000 -0.733 0.000 1.097 28 I HN -0.078 nan 8.210 nan 0.000 0.455 29 N N 1.181 119.817 118.700 -0.107 0.000 2.320 29 N HA 0.097 4.838 4.740 0.001 0.000 0.237 29 N C 0.674 176.156 175.510 -0.048 0.000 1.129 29 N CA 0.157 53.183 53.050 -0.040 0.000 0.854 29 N CB 0.285 38.752 38.487 -0.032 0.000 1.083 29 N HN 0.564 nan 8.380 nan 0.000 0.504 30 E N -0.482 119.675 120.200 -0.072 0.000 2.419 30 E HA 0.114 4.465 4.350 0.001 0.000 0.197 30 E C 0.408 176.994 176.600 -0.024 0.000 0.920 30 E CA 0.209 56.572 56.400 -0.062 0.000 1.085 30 E CB 0.063 29.700 29.700 -0.106 0.000 1.084 30 E HN -0.078 nan 8.360 nan 0.000 0.490 31 V N 2.516 122.417 119.914 -0.022 0.000 2.583 31 V HA -0.034 4.086 4.120 0.001 0.000 0.302 31 V C 0.867 177.030 176.094 0.115 0.000 1.033 31 V CA 0.869 63.211 62.300 0.070 0.000 1.194 31 V CB 0.399 32.310 31.823 0.147 0.000 0.879 31 V HN 0.201 nan 8.190 nan 0.000 0.482 32 S N 1.397 117.160 115.700 0.105 0.000 2.348 32 S HA 0.154 4.625 4.470 0.001 0.000 0.276 32 S C 0.307 174.955 174.600 0.080 0.000 1.027 32 S CA 0.448 58.717 58.200 0.115 0.000 1.386 32 S CB 0.675 63.925 63.200 0.083 0.000 1.122 32 S HN 0.776 nan 8.310 nan 0.000 0.573 33 S N 0.592 116.329 115.700 0.061 0.000 2.627 33 S HA 0.662 5.133 4.470 0.001 0.000 0.283 33 S C -0.599 174.026 174.600 0.041 0.000 1.127 33 S CA 0.413 58.639 58.200 0.043 0.000 0.863 33 S CB 1.435 64.652 63.200 0.029 0.000 1.121 33 S HN 1.211 nan 8.310 nan 0.000 0.479 34 S N 1.901 117.621 115.700 0.033 0.000 3.339 34 S HA -0.192 4.279 4.470 0.001 0.000 0.320 34 S C 0.441 175.071 174.600 0.050 0.000 0.870 34 S CA 1.564 59.785 58.200 0.035 0.000 1.365 34 S CB -1.805 61.412 63.200 0.028 0.000 1.157 34 S HN 0.833 nan 8.310 nan 0.000 0.516 35 D N 0.725 121.158 120.400 0.055 0.000 2.083 35 D HA 0.216 4.856 4.640 0.001 0.000 0.225 35 D C 0.531 176.883 176.300 0.086 0.000 0.974 35 D CA 0.468 54.515 54.000 0.079 0.000 0.906 35 D CB -0.303 40.530 40.800 0.055 0.000 1.028 35 D HN 0.567 nan 8.370 nan 0.000 0.446 36 D N -0.722 119.722 120.400 0.072 0.000 2.697 36 D HA -0.141 4.500 4.640 0.001 0.000 0.238 36 D C -0.895 175.479 176.300 0.123 0.000 1.152 36 D CA 0.419 54.472 54.000 0.088 0.000 0.666 36 D CB -0.915 39.939 40.800 0.090 0.000 1.037 36 D HN 0.334 nan 8.370 nan 0.000 0.423 37 K N 1.073 121.531 120.400 0.097 0.000 2.737 37 K HA 0.058 4.379 4.320 0.001 0.000 0.251 37 K C -0.141 176.589 176.600 0.216 0.000 1.280 37 K CA -0.474 55.910 56.287 0.161 0.000 1.219 37 K CB 0.261 32.712 32.500 -0.083 0.000 1.587 37 K HN 0.222 nan 8.250 nan 0.000 0.279 38 D N 1.389 121.964 120.400 0.291 0.000 2.400 38 D HA 0.021 4.661 4.640 0.001 0.000 0.238 38 D C 0.363 176.939 176.300 0.460 0.000 1.157 38 D CA 0.101 54.277 54.000 0.294 0.000 0.889 38 D CB 0.735 41.695 40.800 0.266 0.000 1.199 38 D HN 0.372 nan 8.370 nan 0.000 0.436 39 A N 1.043 124.078 122.820 0.357 0.000 2.406 39 A HA 0.507 4.828 4.320 0.001 0.000 0.243 39 A C -0.349 177.486 177.584 0.420 0.000 1.082 39 A CA -0.049 52.202 52.037 0.357 0.000 0.786 39 A CB -0.137 18.960 19.000 0.162 0.000 1.029 39 A HN 0.502 nan 8.150 nan 0.000 0.495 40 F N -1.753 118.289 119.950 0.152 0.000 2.668 40 F HA 0.701 5.229 4.527 0.001 0.000 0.309 40 F C -1.524 174.294 175.800 0.029 0.000 1.117 40 F CA -1.461 56.630 58.000 0.150 0.000 0.951 40 F CB 0.840 39.997 39.000 0.261 0.000 1.323 40 F HN 0.452 nan 8.300 nan 0.000 0.451 41 Y N 0.993 121.460 120.300 0.278 0.000 2.419 41 Y HA 0.694 5.245 4.550 0.001 0.000 0.328 41 Y C -0.344 175.686 175.900 0.218 0.000 1.162 41 Y CA -1.090 57.088 58.100 0.130 0.000 1.174 41 Y CB 2.143 40.660 38.460 0.096 0.000 1.228 41 Y HN 0.553 nan 8.280 nan 0.000 0.473 42 V N 2.635 122.683 119.914 0.223 0.000 2.417 42 V HA 0.719 4.840 4.120 0.001 0.000 0.291 42 V C -0.468 175.535 176.094 -0.153 0.000 1.024 42 V CA -0.895 61.456 62.300 0.085 0.000 0.861 42 V CB 1.163 33.037 31.823 0.085 0.000 0.985 42 V HN 0.828 nan 8.190 nan 0.000 0.436 43 A N 3.106 125.696 122.820 -0.383 0.000 2.291 43 A HA 0.616 4.936 4.320 0.001 0.000 0.311 43 A C -0.568 176.871 177.584 -0.242 0.000 1.224 43 A CA -0.458 51.167 52.037 -0.686 0.000 0.821 43 A CB 0.732 18.929 19.000 -1.338 0.000 1.172 43 A HN 0.752 nan 8.150 nan 0.000 0.494 44 D N 3.352 123.673 120.400 -0.132 0.000 2.456 44 D HA 0.300 4.940 4.640 0.001 0.000 0.219 44 D C 0.963 177.300 176.300 0.061 0.000 1.126 44 D CA -0.296 53.715 54.000 0.018 0.000 0.890 44 D CB 0.355 41.176 40.800 0.036 0.000 1.025 44 D HN 0.456 nan 8.370 nan 0.000 0.511 45 L N 2.552 123.843 121.223 0.114 0.000 2.349 45 L HA -0.020 4.321 4.340 0.001 0.000 0.220 45 L C 2.333 179.270 176.870 0.112 0.000 1.130 45 L CA 1.029 55.937 54.840 0.112 0.000 0.791 45 L CB -0.165 41.972 42.059 0.130 0.000 0.918 45 L HN 0.450 nan 8.230 nan 0.000 0.444 46 G N -0.434 108.444 108.800 0.131 0.000 2.471 46 G HA2 -0.272 3.689 3.960 0.001 0.000 0.219 46 G HA3 -0.272 3.689 3.960 0.001 0.000 0.219 46 G C 1.177 176.135 174.900 0.098 0.000 1.125 46 G CA 0.741 45.917 45.100 0.127 0.000 0.775 46 G HN 0.366 nan 8.290 nan 0.000 0.548 47 D N 0.193 120.641 120.400 0.079 0.000 2.269 47 D HA 0.005 4.646 4.640 0.001 0.000 0.208 47 D C 2.401 178.729 176.300 0.047 0.000 0.963 47 D CA 0.255 54.288 54.000 0.055 0.000 0.864 47 D CB -0.099 40.728 40.800 0.045 0.000 0.936 47 D HN 0.369 nan 8.370 nan 0.000 0.505 48 I N 0.084 120.692 120.570 0.063 0.000 2.252 48 I HA -0.206 3.965 4.170 0.001 0.000 0.245 48 I C 2.053 178.240 176.117 0.116 0.000 1.102 48 I CA 0.425 61.772 61.300 0.079 0.000 1.385 48 I CB -0.126 37.886 38.000 0.020 0.000 1.064 48 I HN 0.155 nan 8.210 nan 0.000 0.414 49 L N 0.588 121.872 121.223 0.103 0.000 2.083 49 L HA -0.204 4.137 4.340 0.001 0.000 0.209 49 L C 2.507 179.490 176.870 0.188 0.000 1.083 49 L CA 1.764 56.695 54.840 0.152 0.000 0.752 49 L CB -1.088 41.065 42.059 0.157 0.000 0.899 49 L HN 0.206 nan 8.230 nan 0.000 0.433 50 K N 0.215 120.694 120.400 0.131 0.000 2.032 50 K HA -0.163 4.158 4.320 0.001 0.000 0.209 50 K C 2.111 178.770 176.600 0.099 0.000 1.048 50 K CA 1.224 57.576 56.287 0.109 0.000 0.927 50 K CB 0.020 32.557 32.500 0.062 0.000 0.712 50 K HN 0.047 nan 8.250 nan 0.000 0.441 51 K N -0.582 119.837 120.400 0.032 0.000 2.057 51 K HA -0.185 4.136 4.320 0.001 0.000 0.207 51 K C 2.222 178.916 176.600 0.157 0.000 1.049 51 K CA 1.592 57.816 56.287 -0.106 0.000 0.931 51 K CB -0.533 31.638 32.500 -0.548 0.000 0.714 51 K HN 0.345 nan 8.250 nan 0.000 0.440 52 H N 1.055 120.232 119.070 0.179 0.000 2.387 52 H HA 0.027 4.583 4.556 0.001 0.000 0.299 52 H C 1.945 177.407 175.328 0.223 0.000 1.090 52 H CA 1.225 57.419 56.048 0.244 0.000 1.332 52 H CB -0.055 29.756 29.762 0.082 0.000 1.386 52 H HN -0.001 nan 8.280 nan 0.000 0.516 53 L N -0.093 121.225 121.223 0.158 0.000 2.072 53 L HA -0.098 4.242 4.340 0.001 0.000 0.205 53 L C 2.637 179.586 176.870 0.132 0.000 1.079 53 L CA 1.447 56.382 54.840 0.158 0.000 0.752 53 L CB -0.468 41.718 42.059 0.211 0.000 0.906 53 L HN 0.323 nan 8.230 nan 0.000 0.436 54 R N -0.415 120.183 120.500 0.163 0.000 2.092 54 R HA -0.236 4.105 4.340 0.001 0.000 0.231 54 R C 2.349 178.786 176.300 0.228 0.000 1.119 54 R CA 1.356 57.567 56.100 0.185 0.000 0.970 54 R CB -0.342 30.076 30.300 0.197 0.000 0.864 54 R HN 0.464 nan 8.270 nan 0.000 0.440 55 W N 1.431 122.749 121.300 0.031 0.000 2.335 55 W HA -0.221 4.439 4.660 0.001 0.000 0.311 55 W C 1.406 177.886 176.519 -0.066 0.000 1.213 55 W CA 1.349 58.660 57.345 -0.056 0.000 1.274 55 W CB -0.372 28.970 29.460 -0.196 0.000 1.148 55 W HN 0.153 nan 8.180 nan 0.000 0.498 56 L N 0.766 122.077 121.223 0.146 0.000 2.093 56 L HA -0.207 4.133 4.340 0.001 0.000 0.208 56 L C 2.580 179.453 176.870 0.005 0.000 1.085 56 L CA 1.381 56.265 54.840 0.074 0.000 0.755 56 L CB -0.814 41.265 42.059 0.033 0.000 0.904 56 L HN -0.150 nan 8.230 nan 0.000 0.435 57 K N 0.392 120.803 120.400 0.018 0.000 2.057 57 K HA -0.120 4.200 4.320 0.001 0.000 0.207 57 K C 2.178 178.727 176.600 -0.085 0.000 1.049 57 K CA 1.507 57.787 56.287 -0.011 0.000 0.931 57 K CB -0.281 32.233 32.500 0.024 0.000 0.714 57 K HN 0.282 nan 8.250 nan 0.000 0.440 58 A N 0.553 123.293 122.820 -0.133 0.000 2.072 58 A HA 0.071 4.392 4.320 0.001 0.000 0.216 58 A C 1.125 178.458 177.584 -0.418 0.000 1.156 58 A CA 0.684 52.556 52.037 -0.274 0.000 0.701 58 A CB 0.162 18.959 19.000 -0.338 0.000 0.816 58 A HN 0.174 nan 8.150 nan 0.000 0.458 59 L N -0.082 120.856 121.223 -0.475 0.000 2.574 59 L HA 0.226 4.567 4.340 0.001 0.000 0.258 59 L C -2.034 174.679 176.870 -0.261 0.000 1.520 59 L CA -1.181 53.357 54.840 -0.503 0.000 0.775 59 L CB 1.717 43.206 42.059 -0.950 0.000 1.028 59 L HN 0.079 nan 8.230 nan 0.000 0.516 60 P HA -0.143 nan 4.420 nan 0.000 0.218 60 P C 1.082 178.382 177.300 0.000 0.000 1.148 60 P CA 1.216 64.291 63.100 -0.042 0.000 0.822 60 P CB 0.119 31.801 31.700 -0.030 0.000 0.784 61 R N -0.626 119.865 120.500 -0.015 0.000 2.313 61 R HA 0.163 4.504 4.340 0.001 0.000 0.199 61 R C -0.017 176.323 176.300 0.067 0.000 0.958 61 R CA 0.151 56.269 56.100 0.029 0.000 1.047 61 R CB 0.004 30.318 30.300 0.024 0.000 0.955 61 R HN 0.091 nan 8.270 nan 0.000 0.481 62 V N 1.207 121.182 119.914 0.101 0.000 2.407 62 V HA 0.166 4.286 4.120 0.001 0.000 0.291 62 V C -0.093 176.225 176.094 0.375 0.000 1.018 62 V CA -0.764 61.655 62.300 0.198 0.000 0.842 62 V CB 1.889 33.809 31.823 0.162 0.000 0.996 62 V HN 0.029 nan 8.190 nan 0.000 0.426 63 T N 8.265 123.000 114.554 0.301 0.000 2.749 63 T HA 0.351 4.702 4.350 0.001 0.000 0.295 63 T C -2.496 172.384 174.700 0.300 0.000 0.936 63 T CA -0.913 61.355 62.100 0.280 0.000 1.060 63 T CB 1.261 70.283 68.868 0.258 0.000 0.904 63 T HN 0.464 nan 8.240 nan 0.000 0.500 64 P HA 0.443 nan 4.420 nan 0.000 0.296 64 P C -1.193 176.072 177.300 -0.059 0.000 1.306 64 P CA -0.699 62.298 63.100 -0.173 0.000 0.818 64 P CB 0.630 31.848 31.700 -0.803 0.000 0.969 65 F N 2.864 122.697 119.950 -0.196 0.000 2.375 65 F HA 0.242 4.770 4.527 0.001 0.000 0.361 65 F C 0.585 176.272 175.800 -0.188 0.000 1.117 65 F CA -1.109 56.761 58.000 -0.216 0.000 1.037 65 F CB 0.505 39.438 39.000 -0.113 0.000 1.192 65 F HN 0.281 nan 8.300 nan 0.000 0.452 66 Y N 3.441 123.520 120.300 -0.369 0.000 2.632 66 Y HA 0.371 4.921 4.550 0.001 0.000 0.329 66 Y C 0.170 176.046 175.900 -0.040 0.000 1.174 66 Y CA -1.098 56.836 58.100 -0.277 0.000 1.469 66 Y CB 0.439 38.595 38.460 -0.507 0.000 1.242 66 Y HN 0.664 nan 8.280 nan 0.000 0.540 67 A N 7.776 130.245 122.820 -0.584 0.000 2.544 67 A HA 0.456 4.777 4.320 0.001 0.000 0.301 67 A C 0.100 177.180 177.584 -0.840 0.000 1.368 67 A CA -0.513 51.237 52.037 -0.478 0.000 1.045 67 A CB -1.108 17.774 19.000 -0.197 0.000 1.129 67 A HN 0.707 nan 8.150 nan 0.000 0.540 71 N N 1.120 119.680 118.700 -0.234 0.000 3.466 71 N HA 0.147 4.888 4.740 0.001 0.000 0.217 71 N C -1.023 174.481 175.510 -0.009 0.000 1.265 71 N CA 0.745 53.693 53.050 -0.171 0.000 0.887 71 N CB 0.725 39.082 38.487 -0.217 0.000 1.626 71 N HN 0.549 nan 8.380 nan 0.000 0.700 72 D N 0.376 120.744 120.400 -0.054 0.000 2.342 72 D HA 0.073 4.713 4.640 0.001 0.000 0.221 72 D C -0.400 175.877 176.300 -0.039 0.000 1.101 72 D CA -0.062 53.926 54.000 -0.021 0.000 0.837 72 D CB -0.140 40.629 40.800 -0.051 0.000 0.938 72 D HN 0.184 nan 8.370 nan 0.000 0.508 73 S N 1.199 116.874 115.700 -0.042 0.000 2.673 73 S HA -0.079 4.392 4.470 0.001 0.000 0.308 73 S C 1.234 175.751 174.600 -0.139 0.000 1.246 73 S CA -0.214 57.956 58.200 -0.051 0.000 1.077 73 S CB 1.453 64.687 63.200 0.057 0.000 0.814 73 S HN 0.278 nan 8.310 nan 0.000 0.503 74 K N 3.495 123.793 120.400 -0.170 0.000 2.107 74 K HA -0.276 4.045 4.320 0.001 0.000 0.211 74 K C 2.183 178.544 176.600 -0.399 0.000 1.049 74 K CA 1.659 57.816 56.287 -0.217 0.000 0.927 74 K CB -0.403 32.012 32.500 -0.141 0.000 0.714 74 K HN 0.751 nan 8.250 nan 0.000 0.452 75 A N 0.914 123.217 122.820 -0.861 0.000 1.940 75 A HA -0.157 4.163 4.320 0.001 0.000 0.219 75 A C 1.999 179.227 177.584 -0.593 0.000 1.176 75 A CA 1.416 52.726 52.037 -1.211 0.000 0.631 75 A CB -0.477 17.120 19.000 -2.339 0.000 0.814 75 A HN 0.294 nan 8.150 nan 0.000 0.446 76 I N -0.122 120.209 120.570 -0.397 0.000 2.252 76 I HA -0.157 4.013 4.170 0.001 0.000 0.245 76 I C 2.476 178.466 176.117 -0.211 0.000 1.102 76 I CA 1.165 62.341 61.300 -0.207 0.000 1.385 76 I CB -1.220 36.742 38.000 -0.063 0.000 1.064 76 I HN 0.159 nan 8.210 nan 0.000 0.414 77 V N 1.034 120.857 119.914 -0.153 0.000 2.358 77 V HA -0.262 3.859 4.120 0.001 0.000 0.246 77 V C 2.583 178.610 176.094 -0.110 0.000 1.047 77 V CA 1.789 64.036 62.300 -0.087 0.000 1.035 77 V CB -0.812 30.939 31.823 -0.119 0.000 0.658 77 V HN 0.377 nan 8.190 nan 0.000 0.452 78 K N 0.025 120.344 120.400 -0.134 0.000 2.103 78 K HA -0.195 4.126 4.320 0.001 0.000 0.207 78 K C 2.183 178.748 176.600 -0.058 0.000 1.048 78 K CA 1.990 58.230 56.287 -0.079 0.000 0.930 78 K CB -0.315 32.172 32.500 -0.022 0.000 0.716 78 K HN 0.527 nan 8.250 nan 0.000 0.444 79 T N 1.636 116.135 114.554 -0.093 0.000 2.652 79 T HA -0.146 4.205 4.350 0.001 0.000 0.267 79 T C 1.761 176.367 174.700 -0.158 0.000 1.039 79 T CA 1.551 63.594 62.100 -0.095 0.000 1.153 79 T CB -0.202 68.604 68.868 -0.104 0.000 0.863 79 T HN 0.157 nan 8.240 nan 0.000 0.428 80 L N 0.681 121.781 121.223 -0.206 0.000 2.131 80 L HA -0.063 4.277 4.340 0.001 0.000 0.210 80 L C 2.956 179.749 176.870 -0.128 0.000 1.092 80 L CA 1.076 55.727 54.840 -0.315 0.000 0.759 80 L CB -0.589 41.187 42.059 -0.473 0.000 0.903 80 L HN 0.250 nan 8.230 nan 0.000 0.435 81 A N -0.187 122.695 122.820 0.103 0.000 1.930 81 A HA -0.077 4.244 4.320 0.001 0.000 0.217 81 A C 2.492 180.062 177.584 -0.023 0.000 1.175 81 A CA 1.516 53.632 52.037 0.132 0.000 0.627 81 A CB -0.581 18.436 19.000 0.029 0.000 0.815 81 A HN 0.372 nan 8.150 nan 0.000 0.443 82 A N -1.132 121.654 122.820 -0.057 0.000 1.968 82 A HA 0.009 4.330 4.320 0.001 0.000 0.217 82 A C 2.132 179.663 177.584 -0.089 0.000 1.169 82 A CA 1.895 53.899 52.037 -0.055 0.000 0.638 82 A CB -0.989 17.983 19.000 -0.046 0.000 0.812 82 A HN 0.385 nan 8.150 nan 0.000 0.446 83 T N -0.805 113.631 114.554 -0.197 0.000 3.051 83 T HA 0.267 4.618 4.350 0.001 0.000 0.269 83 T C 1.455 175.883 174.700 -0.453 0.000 1.127 83 T CA 1.394 63.269 62.100 -0.374 0.000 1.107 83 T CB -0.132 68.368 68.868 -0.614 0.000 0.898 83 T HN 1.394 nan 8.240 nan 0.000 0.517 84 G N 1.810 110.429 108.800 -0.303 0.000 2.179 84 G HA2 -0.243 3.717 3.960 0.001 0.000 0.220 84 G HA3 -0.243 3.717 3.960 0.001 0.000 0.220 84 G C 0.400 175.094 174.900 -0.343 0.000 0.990 84 G CA 0.109 45.072 45.100 -0.228 0.000 0.646 84 G HN 0.808 nan 8.290 nan 0.000 0.517 85 T N -0.354 113.872 114.554 -0.546 0.000 2.860 85 T HA 0.584 4.934 4.350 0.001 0.000 0.299 85 T C 1.309 175.529 174.700 -0.800 0.000 1.045 85 T CA 0.578 62.264 62.100 -0.690 0.000 1.071 85 T CB 1.675 69.982 68.868 -0.935 0.000 0.985 85 T HN 1.462 nan 8.240 nan 0.000 0.537 86 G N 0.119 108.293 108.800 -1.044 0.000 2.653 86 G HA2 0.512 4.472 3.960 0.001 0.000 0.265 86 G HA3 0.512 4.472 3.960 0.001 0.000 0.265 86 G C -1.129 173.062 174.900 -1.181 0.000 1.237 86 G CA -0.891 43.411 45.100 -1.330 0.000 0.946 86 G HN 0.646 nan 8.290 nan 0.000 0.522 87 F N -0.783 119.056 119.950 -0.186 0.000 2.557 87 F HA 0.275 4.803 4.527 0.001 0.000 0.316 87 F C -0.465 175.459 175.800 0.205 0.000 1.141 87 F CA -0.965 57.059 58.000 0.039 0.000 0.922 87 F CB 2.395 41.391 39.000 -0.005 0.000 1.194 87 F HN 0.361 nan 8.300 nan 0.000 0.443 88 D N 3.248 123.795 120.400 0.244 0.000 2.339 88 D HA 0.335 4.976 4.640 0.001 0.000 0.241 88 D C -1.027 175.323 176.300 0.083 0.000 1.183 88 D CA 0.101 54.186 54.000 0.142 0.000 0.859 88 D CB 0.560 41.387 40.800 0.044 0.000 1.067 88 D HN 0.421 nan 8.370 nan 0.000 0.484 89 C N 3.226 122.579 119.300 0.088 0.000 2.411 89 C HA 0.823 5.284 4.460 0.001 0.000 0.330 89 C C 1.253 176.270 174.990 0.045 0.000 1.224 89 C CA -0.491 58.538 59.018 0.018 0.000 1.770 89 C CB 0.927 28.640 27.740 -0.045 0.000 2.297 89 C HN 0.793 nan 8.230 nan 0.000 0.507 90 A N 1.541 124.373 122.820 0.020 0.000 2.358 90 A HA 0.504 4.825 4.320 0.001 0.000 0.223 90 A C 0.674 178.338 177.584 0.133 0.000 1.218 90 A CA 0.455 52.561 52.037 0.115 0.000 0.942 90 A CB 0.022 19.047 19.000 0.041 0.000 1.005 90 A HN 1.034 nan 8.150 nan 0.000 0.514 91 S N -1.522 114.145 115.700 -0.055 0.000 2.638 91 S HA 0.443 4.914 4.470 0.001 0.000 0.274 91 S C 0.473 174.931 174.600 -0.236 0.000 1.157 91 S CA 0.031 58.183 58.200 -0.081 0.000 0.826 91 S CB 1.555 64.725 63.200 -0.051 0.000 1.139 91 S HN 0.223 nan 8.310 nan 0.000 0.474 92 K N 0.366 120.628 120.400 -0.228 0.000 2.009 92 K HA -0.157 4.163 4.320 0.001 0.000 0.210 92 K C 2.101 178.492 176.600 -0.348 0.000 1.049 92 K CA 2.337 58.396 56.287 -0.380 0.000 0.929 92 K CB -1.077 31.133 32.500 -0.484 0.000 0.714 92 K HN 0.768 nan 8.250 nan 0.000 0.440 93 T N -0.244 114.163 114.554 -0.245 0.000 2.803 93 T HA -0.158 4.193 4.350 0.001 0.000 0.269 93 T C 1.484 176.096 174.700 -0.147 0.000 1.052 93 T CA 1.863 63.854 62.100 -0.182 0.000 1.136 93 T CB -0.258 68.530 68.868 -0.133 0.000 0.864 93 T HN 0.452 nan 8.240 nan 0.000 0.467 94 E N 0.161 120.278 120.200 -0.139 0.000 2.107 94 E HA 0.017 4.367 4.350 0.001 0.000 0.191 94 E C 2.231 178.754 176.600 -0.129 0.000 0.982 94 E CA 1.192 57.520 56.400 -0.120 0.000 0.809 94 E CB -0.208 29.434 29.700 -0.096 0.000 0.756 94 E HN 0.563 nan 8.360 nan 0.000 0.459 95 I N 1.459 121.940 120.570 -0.148 0.000 2.179 95 I HA -0.336 3.835 4.170 0.001 0.000 0.242 95 I C 2.520 178.607 176.117 -0.050 0.000 1.088 95 I CA 1.330 62.573 61.300 -0.095 0.000 1.357 95 I CB -0.249 37.712 38.000 -0.064 0.000 1.051 95 I HN 0.122 nan 8.210 nan 0.000 0.409 96 Q N 0.083 119.852 119.800 -0.051 0.000 2.045 96 Q HA -0.282 4.058 4.340 0.001 0.000 0.206 96 Q C 2.312 178.270 176.000 -0.069 0.000 0.991 96 Q CA 1.828 57.613 55.803 -0.030 0.000 0.851 96 Q CB -0.457 28.235 28.738 -0.076 0.000 0.911 96 Q HN 0.394 nan 8.270 nan 0.000 0.418 97 L N 0.427 121.589 121.223 -0.102 0.000 1.971 97 L HA -0.192 4.149 4.340 0.001 0.000 0.215 97 L C 2.208 178.975 176.870 -0.171 0.000 1.072 97 L CA 1.682 56.449 54.840 -0.122 0.000 0.758 97 L CB -0.725 41.259 42.059 -0.126 0.000 0.889 97 L HN 0.010 nan 8.230 nan 0.000 0.433 98 V N -0.415 119.360 119.914 -0.230 0.000 2.343 98 V HA -0.328 3.792 4.120 0.001 0.000 0.247 98 V C 2.608 178.562 176.094 -0.232 0.000 1.051 98 V CA 2.126 64.209 62.300 -0.363 0.000 1.036 98 V CB -0.684 30.867 31.823 -0.453 0.000 0.654 98 V HN 0.586 nan 8.190 nan 0.000 0.451 99 Q N 0.081 119.803 119.800 -0.129 0.000 2.224 99 Q HA -0.153 4.187 4.340 0.001 0.000 0.203 99 Q C 2.389 178.349 176.000 -0.067 0.000 0.970 99 Q CA 1.657 57.415 55.803 -0.075 0.000 0.865 99 Q CB -0.242 28.480 28.738 -0.027 0.000 0.922 99 Q HN 0.797 nan 8.270 nan 0.000 0.445 100 S N 0.028 115.686 115.700 -0.071 0.000 2.507 100 S HA -0.046 4.424 4.470 0.001 0.000 0.235 100 S C 1.575 176.134 174.600 -0.069 0.000 0.988 100 S CA 0.595 58.760 58.200 -0.058 0.000 0.944 100 S CB -0.108 63.061 63.200 -0.053 0.000 0.762 100 S HN 0.322 nan 8.310 nan 0.000 0.526 101 L N 0.553 121.713 121.223 -0.104 0.000 2.607 101 L HA 0.395 4.736 4.340 0.001 0.000 0.228 101 L C 1.806 178.630 176.870 -0.077 0.000 1.123 101 L CA 0.303 55.083 54.840 -0.099 0.000 0.890 101 L CB -0.292 41.675 42.059 -0.155 0.000 1.103 101 L HN 0.546 nan 8.230 nan 0.000 0.468 102 G N 0.068 108.827 108.800 -0.068 0.000 2.157 102 G HA2 -0.248 3.713 3.960 0.001 0.000 0.248 102 G HA3 -0.248 3.713 3.960 0.001 0.000 0.248 102 G C 0.300 175.175 174.900 -0.043 0.000 0.979 102 G CA 0.027 45.101 45.100 -0.044 0.000 0.650 102 G HN 0.085 nan 8.290 nan 0.000 0.529 103 V N 2.746 122.618 119.914 -0.070 0.000 2.740 103 V HA 0.359 4.480 4.120 0.001 0.000 0.303 103 V C -0.832 175.256 176.094 -0.010 0.000 1.054 103 V CA -0.610 61.670 62.300 -0.033 0.000 1.106 103 V CB 0.949 32.733 31.823 -0.065 0.000 0.957 103 V HN 0.289 nan 8.190 nan 0.000 0.486 104 P HA 0.216 nan 4.420 nan 0.000 0.274 104 P C -2.154 175.173 177.300 0.046 0.000 1.231 104 P CA -1.760 61.355 63.100 0.025 0.000 0.790 104 P CB 0.154 31.874 31.700 0.033 0.000 0.951 105 P HA -0.221 nan 4.420 nan 0.000 0.217 105 P C 1.340 178.704 177.300 0.108 0.000 1.151 105 P CA 1.644 64.786 63.100 0.070 0.000 0.849 105 P CB -0.168 31.564 31.700 0.053 0.000 0.787 106 E N 0.586 120.846 120.200 0.101 0.000 2.333 106 E HA -0.179 4.171 4.350 0.001 0.000 0.198 106 E C 1.372 178.078 176.600 0.178 0.000 1.007 106 E CA 0.954 57.432 56.400 0.130 0.000 0.845 106 E CB -0.572 29.187 29.700 0.099 0.000 0.766 106 E HN 0.289 nan 8.360 nan 0.000 0.507 107 R N 0.463 121.043 120.500 0.134 0.000 2.426 107 R HA 0.384 4.725 4.340 0.001 0.000 0.263 107 R C 0.110 176.535 176.300 0.208 0.000 0.961 107 R CA -0.138 56.004 56.100 0.069 0.000 1.086 107 R CB 0.284 30.559 30.300 -0.043 0.000 1.186 107 R HN 0.150 nan 8.270 nan 0.000 0.537 108 I N 0.619 121.371 120.570 0.304 0.000 2.493 108 I HA 0.339 4.509 4.170 0.001 0.000 0.298 108 I C -0.456 175.871 176.117 0.349 0.000 0.998 108 I CA -0.984 60.522 61.300 0.342 0.000 1.137 108 I CB 2.100 40.217 38.000 0.195 0.000 1.310 108 I HN -0.029 nan 8.210 nan 0.000 0.445 109 I N 5.641 126.386 120.570 0.292 0.000 2.406 109 I HA 0.261 4.432 4.170 0.001 0.000 0.290 109 I C -1.112 175.105 176.117 0.167 0.000 0.999 109 I CA -0.637 60.728 61.300 0.109 0.000 1.124 109 I CB 1.385 39.299 38.000 -0.142 0.000 1.289 109 I HN 0.510 nan 8.210 nan 0.000 0.441 110 Y N 8.219 128.528 120.300 0.015 0.000 2.636 110 Y HA 0.495 5.046 4.550 0.001 0.000 0.334 110 Y C 0.144 176.021 175.900 -0.038 0.000 1.286 110 Y CA -1.603 56.504 58.100 0.011 0.000 1.688 110 Y CB 0.089 38.573 38.460 0.040 0.000 1.662 110 Y HN 0.596 nan 8.280 nan 0.000 0.465 111 A N 4.481 127.376 122.820 0.125 0.000 3.168 111 A HA 0.216 4.537 4.320 0.001 0.000 0.260 111 A C -0.026 177.494 177.584 -0.106 0.000 1.598 111 A CA -0.362 51.646 52.037 -0.048 0.000 1.285 111 A CB -0.851 18.094 19.000 -0.092 0.000 1.149 111 A HN 0.585 nan 8.150 nan 0.000 0.630 112 N N 0.993 119.625 118.700 -0.112 0.000 2.448 112 N HA 0.402 5.143 4.740 0.001 0.000 0.279 112 N C -2.650 172.709 175.510 -0.252 0.000 1.025 112 N CA -2.182 50.747 53.050 -0.201 0.000 0.898 112 N CB 2.229 40.711 38.487 -0.008 0.000 1.303 112 N HN -0.071 nan 8.380 nan 0.000 0.495 113 P HA 0.136 nan 4.420 nan 0.000 0.229 113 P C -0.279 177.010 177.300 -0.019 0.000 1.160 113 P CA 0.688 63.686 63.100 -0.170 0.000 0.777 113 P CB 0.326 31.902 31.700 -0.206 0.000 0.814 114 C N 0.884 120.202 119.300 0.030 0.000 2.816 114 C HA 0.354 4.815 4.460 0.001 0.000 0.255 114 C C 0.278 175.299 174.990 0.052 0.000 1.141 114 C CA -0.755 58.319 59.018 0.094 0.000 1.554 114 C CB -0.878 26.994 27.740 0.219 0.000 1.778 114 C HN 0.095 nan 8.230 nan 0.000 0.429 115 K N 1.256 121.653 120.400 -0.004 0.000 2.164 115 K HA 0.413 4.734 4.320 0.001 0.000 0.258 115 K C -0.086 176.541 176.600 0.045 0.000 0.951 115 K CA -0.291 55.998 56.287 0.004 0.000 0.844 115 K CB 1.349 33.774 32.500 -0.124 0.000 1.099 115 K HN 0.595 nan 8.250 nan 0.000 0.435 116 Q N 2.218 122.065 119.800 0.077 0.000 2.311 116 Q HA -0.004 4.337 4.340 0.001 0.000 0.272 116 Q C 0.779 176.827 176.000 0.079 0.000 1.012 116 Q CA -0.157 55.688 55.803 0.069 0.000 0.891 116 Q CB 0.875 29.653 28.738 0.066 0.000 1.201 116 Q HN 0.542 nan 8.270 nan 0.000 0.391 117 V N 3.162 123.112 119.914 0.061 0.000 2.277 117 V HA -0.397 3.724 4.120 0.001 0.000 0.253 117 V C 2.272 178.414 176.094 0.079 0.000 1.067 117 V CA 2.500 64.837 62.300 0.061 0.000 1.047 117 V CB -1.039 30.810 31.823 0.044 0.000 0.649 117 V HN 1.027 nan 8.190 nan 0.000 0.447 118 S N -0.508 115.237 115.700 0.074 0.000 2.383 118 S HA -0.327 4.144 4.470 0.001 0.000 0.229 118 S C 1.863 176.540 174.600 0.127 0.000 1.030 118 S CA 1.963 60.213 58.200 0.083 0.000 1.002 118 S CB -0.495 62.740 63.200 0.059 0.000 0.829 118 S HN 0.743 nan 8.310 nan 0.000 0.467 119 Q N 0.328 120.215 119.800 0.144 0.000 2.212 119 Q HA 0.222 4.562 4.340 0.001 0.000 0.199 119 Q C 2.251 178.450 176.000 0.332 0.000 0.950 119 Q CA 0.924 56.850 55.803 0.206 0.000 0.863 119 Q CB -0.270 28.583 28.738 0.193 0.000 0.944 119 Q HN 0.618 nan 8.270 nan 0.000 0.465 120 I N 0.935 121.667 120.570 0.270 0.000 2.286 120 I HA -0.300 3.870 4.170 0.001 0.000 0.248 120 I C 2.069 178.299 176.117 0.188 0.000 1.115 120 I CA 1.332 62.791 61.300 0.264 0.000 1.392 120 I CB -0.121 37.961 38.000 0.136 0.000 1.065 120 I HN 0.115 nan 8.210 nan 0.000 0.418 121 K N -0.216 120.260 120.400 0.127 0.000 2.103 121 K HA -0.201 4.120 4.320 0.001 0.000 0.204 121 K C 2.167 178.786 176.600 0.031 0.000 1.052 121 K CA 1.315 57.627 56.287 0.042 0.000 0.945 121 K CB -0.305 32.222 32.500 0.044 0.000 0.722 121 K HN 0.228 nan 8.250 nan 0.000 0.443 122 Y N 1.608 121.913 120.300 0.009 0.000 2.165 122 Y HA -0.314 4.236 4.550 0.001 0.000 0.286 122 Y C 2.198 178.081 175.900 -0.027 0.000 1.155 122 Y CA 1.585 59.676 58.100 -0.015 0.000 1.164 122 Y CB -0.267 38.185 38.460 -0.014 0.000 0.978 122 Y HN 0.060 nan 8.280 nan 0.000 0.513 123 A N 0.356 123.257 122.820 0.134 0.000 1.877 123 A HA -0.159 4.162 4.320 0.001 0.000 0.216 123 A C 2.391 179.915 177.584 -0.101 0.000 1.186 123 A CA 2.027 54.120 52.037 0.093 0.000 0.620 123 A CB -1.523 17.703 19.000 0.376 0.000 0.822 123 A HN 0.604 nan 8.150 nan 0.000 0.443 124 A N -0.040 122.605 122.820 -0.292 0.000 1.969 124 A HA -0.146 4.175 4.320 0.001 0.000 0.218 124 A C 1.734 179.116 177.584 -0.336 0.000 1.169 124 A CA 1.483 53.124 52.037 -0.659 0.000 0.635 124 A CB -0.770 17.685 19.000 -0.908 0.000 0.810 124 A HN 0.718 nan 8.150 nan 0.000 0.445 125 N N -0.055 118.475 118.700 -0.283 0.000 2.515 125 N HA -0.007 4.733 4.740 0.001 0.000 0.185 125 N C 0.368 175.718 175.510 -0.268 0.000 1.109 125 N CA 0.425 53.324 53.050 -0.251 0.000 0.903 125 N CB 0.050 38.391 38.487 -0.243 0.000 0.969 125 N HN 0.464 nan 8.380 nan 0.000 0.450 126 N N -0.419 118.112 118.700 -0.282 0.000 2.241 126 N HA 0.094 4.835 4.740 0.001 0.000 0.238 126 N C 0.376 175.814 175.510 -0.120 0.000 1.244 126 N CA 0.210 53.109 53.050 -0.251 0.000 0.880 126 N CB 1.513 39.767 38.487 -0.390 0.000 1.179 126 N HN 0.163 nan 8.380 nan 0.000 0.513 127 G N 0.926 109.673 108.800 -0.089 0.000 2.155 127 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 127 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 127 G C 0.031 174.961 174.900 0.051 0.000 0.983 127 G CA 0.101 45.194 45.100 -0.011 0.000 0.676 127 G HN 0.182 nan 8.290 nan 0.000 0.528 128 V N 1.452 121.415 119.914 0.082 0.000 2.353 128 V HA 0.312 4.433 4.120 0.001 0.000 0.264 128 V C 1.120 177.374 176.094 0.267 0.000 1.049 128 V CA -0.189 62.201 62.300 0.151 0.000 0.896 128 V CB 1.459 33.368 31.823 0.144 0.000 1.025 128 V HN 0.306 nan 8.190 nan 0.000 0.475 129 Q N 2.830 122.750 119.800 0.200 0.000 2.297 129 Q HA 0.231 4.572 4.340 0.001 0.000 0.203 129 Q C 0.789 176.806 176.000 0.029 0.000 0.931 129 Q CA 0.612 56.503 55.803 0.146 0.000 0.885 129 Q CB 0.383 29.177 28.738 0.093 0.000 0.991 129 Q HN 0.714 nan 8.270 nan 0.000 0.498 130 M N 1.402 121.041 119.600 0.065 0.000 2.113 130 M HA 0.364 4.845 4.480 0.001 0.000 0.352 130 M C -1.139 175.170 176.300 0.014 0.000 1.170 130 M CA 0.108 55.410 55.300 0.003 0.000 1.053 130 M CB 0.471 33.071 32.600 -0.001 0.000 1.601 130 M HN -0.020 nan 8.290 nan 0.000 0.459 131 M N 2.257 121.820 119.600 -0.062 0.000 2.658 131 M HA 0.503 4.983 4.480 0.001 0.000 0.295 131 M C -0.427 175.820 176.300 -0.089 0.000 1.248 131 M CA -0.858 54.388 55.300 -0.091 0.000 0.843 131 M CB 2.528 35.008 32.600 -0.199 0.000 1.749 131 M HN 0.478 nan 8.290 nan 0.000 0.464 132 T N 1.136 115.632 114.554 -0.097 0.000 2.936 132 T HA 0.869 5.219 4.350 0.001 0.000 0.282 132 T C -1.336 173.412 174.700 0.081 0.000 1.003 132 T CA -0.179 61.907 62.100 -0.023 0.000 1.005 132 T CB 1.073 69.871 68.868 -0.116 0.000 1.097 132 T HN 0.523 nan 8.240 nan 0.000 0.532 133 F N 0.321 120.179 119.950 -0.152 0.000 2.741 133 F HA 0.617 5.145 4.527 0.001 0.000 0.311 133 F C -1.003 174.757 175.800 -0.068 0.000 1.149 133 F CA -1.481 56.451 58.000 -0.113 0.000 0.930 133 F CB 0.946 39.882 39.000 -0.107 0.000 1.312 133 F HN 0.514 nan 8.300 nan 0.000 0.450 134 D N -0.377 119.907 120.400 -0.194 0.000 2.567 134 D HA 0.290 4.930 4.640 0.001 0.000 0.268 134 D C -0.636 175.583 176.300 -0.135 0.000 1.448 134 D CA 0.556 54.356 54.000 -0.333 0.000 0.811 134 D CB -0.057 40.658 40.800 -0.141 0.000 1.192 134 D HN 0.815 nan 8.370 nan 0.000 0.488 135 S N -0.835 114.895 115.700 0.050 0.000 2.625 135 S HA 0.396 4.867 4.470 0.001 0.000 0.271 135 S C 0.750 175.456 174.600 0.177 0.000 1.161 135 S CA -0.400 57.855 58.200 0.091 0.000 0.820 135 S CB 1.968 65.213 63.200 0.075 0.000 1.137 135 S HN 0.046 nan 8.310 nan 0.000 0.470 136 E N 0.352 120.618 120.200 0.110 0.000 2.158 136 E HA -0.023 4.328 4.350 0.001 0.000 0.191 136 E C 1.296 177.942 176.600 0.076 0.000 0.982 136 E CA 0.878 57.340 56.400 0.103 0.000 0.823 136 E CB -0.376 29.366 29.700 0.071 0.000 0.766 136 E HN 0.364 nan 8.360 nan 0.000 0.468 137 V N 1.363 121.316 119.914 0.064 0.000 2.427 137 V HA -0.224 3.896 4.120 0.001 0.000 0.248 137 V C 2.363 178.486 176.094 0.048 0.000 1.051 137 V CA 2.104 64.433 62.300 0.047 0.000 1.048 137 V CB -0.541 31.305 31.823 0.039 0.000 0.666 137 V HN 0.272 nan 8.190 nan 0.000 0.456 138 E N 0.397 120.642 120.200 0.075 0.000 2.085 138 E HA -0.214 4.136 4.350 0.001 0.000 0.194 138 E C 2.060 178.664 176.600 0.006 0.000 0.994 138 E CA 1.522 57.961 56.400 0.066 0.000 0.801 138 E CB -0.363 29.419 29.700 0.137 0.000 0.743 138 E HN 0.547 nan 8.360 nan 0.000 0.453 139 L N -0.287 120.940 121.223 0.007 0.000 2.046 139 L HA -0.217 4.124 4.340 0.001 0.000 0.208 139 L C 2.540 179.373 176.870 -0.062 0.000 1.077 139 L CA 1.390 56.166 54.840 -0.106 0.000 0.747 139 L CB -0.486 41.523 42.059 -0.083 0.000 0.896 139 L HN 0.294 nan 8.230 nan 0.000 0.432 140 M N -0.331 119.260 119.600 -0.016 0.000 2.082 140 M HA -0.289 4.191 4.480 0.001 0.000 0.258 140 M C 2.240 178.533 176.300 -0.010 0.000 1.071 140 M CA 1.973 57.269 55.300 -0.007 0.000 1.103 140 M CB -0.824 31.781 32.600 0.008 0.000 1.307 140 M HN 0.059 nan 8.290 nan 0.000 0.409 141 K N 0.431 120.827 120.400 -0.006 0.000 2.063 141 K HA -0.117 4.203 4.320 0.001 0.000 0.208 141 K C 1.981 178.577 176.600 -0.006 0.000 1.048 141 K CA 1.488 57.775 56.287 0.000 0.000 0.928 141 K CB -0.477 32.027 32.500 0.006 0.000 0.713 141 K HN 0.140 nan 8.250 nan 0.000 0.442 142 V N 1.192 121.083 119.914 -0.039 0.000 2.295 142 V HA -0.258 3.863 4.120 0.001 0.000 0.246 142 V C 2.302 178.376 176.094 -0.033 0.000 1.049 142 V CA 1.995 64.262 62.300 -0.054 0.000 1.024 142 V CB -0.755 30.975 31.823 -0.156 0.000 0.648 142 V HN 0.393 nan 8.190 nan 0.000 0.447 143 A N -0.110 122.683 122.820 -0.046 0.000 1.986 143 A HA -0.302 4.019 4.320 0.001 0.000 0.220 143 A C 2.409 179.993 177.584 0.000 0.000 1.171 143 A CA 2.405 54.427 52.037 -0.025 0.000 0.640 143 A CB -0.530 18.454 19.000 -0.025 0.000 0.811 143 A HN 0.544 nan 8.150 nan 0.000 0.451 144 R N -1.209 119.296 120.500 0.008 0.000 2.075 144 R HA 0.166 4.506 4.340 0.001 0.000 0.220 144 R C 2.006 178.323 176.300 0.029 0.000 1.118 144 R CA 1.148 57.258 56.100 0.017 0.000 0.986 144 R CB -0.185 30.123 30.300 0.014 0.000 0.884 144 R HN 0.388 nan 8.270 nan 0.000 0.439 145 A N -1.056 121.790 122.820 0.043 0.000 2.252 145 A HA 0.069 4.389 4.320 0.001 0.000 0.213 145 A C 0.142 177.791 177.584 0.107 0.000 1.188 145 A CA 0.260 52.331 52.037 0.056 0.000 0.863 145 A CB 0.359 19.394 19.000 0.058 0.000 0.893 145 A HN 0.444 nan 8.150 nan 0.000 0.495 146 H N -0.632 118.428 119.070 -0.015 0.000 2.927 146 H HA 0.215 4.772 4.556 0.001 0.000 0.213 146 H C -2.630 172.679 175.328 -0.031 0.000 1.363 146 H CA -1.512 54.526 56.048 -0.015 0.000 1.369 146 H CB 0.704 30.462 29.762 -0.008 0.000 2.040 146 H HN 0.132 nan 8.280 nan 0.000 0.544 147 P HA -0.068 nan 4.420 nan 0.000 0.226 147 P C 0.716 178.016 177.300 0.000 0.000 1.153 147 P CA 0.520 63.636 63.100 0.026 0.000 0.777 147 P CB 0.580 32.298 31.700 0.031 0.000 0.794 148 K N -0.222 120.211 120.400 0.055 0.000 2.404 148 K HA 0.271 4.591 4.320 0.001 0.000 0.194 148 K C 1.157 177.687 176.600 -0.116 0.000 1.023 148 K CA -0.538 55.753 56.287 0.006 0.000 1.094 148 K CB -0.753 31.788 32.500 0.068 0.000 0.841 148 K HN 0.045 nan 8.250 nan 0.000 0.523 149 A N 2.097 124.689 122.820 -0.380 0.000 2.583 149 A HA 0.028 4.348 4.320 0.001 0.000 0.231 149 A C 0.066 177.489 177.584 -0.269 0.000 1.065 149 A CA 0.285 51.982 52.037 -0.566 0.000 0.760 149 A CB 0.180 18.725 19.000 -0.759 0.000 1.001 149 A HN -0.015 nan 8.150 nan 0.000 0.509 150 K N 2.043 122.327 120.400 -0.193 0.000 2.264 150 K HA 0.425 4.746 4.320 0.001 0.000 0.277 150 K C -0.663 175.830 176.600 -0.178 0.000 1.067 150 K CA 0.154 56.359 56.287 -0.137 0.000 0.900 150 K CB 0.786 33.258 32.500 -0.047 0.000 1.124 150 K HN 0.580 nan 8.250 nan 0.000 0.469 151 L N 2.356 123.443 121.223 -0.227 0.000 2.343 151 L HA 0.470 4.811 4.340 0.001 0.000 0.275 151 L C -0.043 176.762 176.870 -0.108 0.000 1.056 151 L CA -1.232 53.483 54.840 -0.209 0.000 0.804 151 L CB 1.482 43.279 42.059 -0.436 0.000 1.203 151 L HN 0.092 nan 8.230 nan 0.000 0.440 152 V N 4.068 123.985 119.914 0.007 0.000 2.407 152 V HA 0.287 4.408 4.120 0.001 0.000 0.291 152 V C -0.061 176.065 176.094 0.055 0.000 1.018 152 V CA -0.471 61.818 62.300 -0.018 0.000 0.842 152 V CB 2.015 33.773 31.823 -0.109 0.000 0.996 152 V HN 0.527 nan 8.190 nan 0.000 0.426 153 L N 5.937 127.145 121.223 -0.025 0.000 2.315 153 L HA 0.501 4.841 4.340 0.001 0.000 0.283 153 L C 0.655 177.379 176.870 -0.242 0.000 1.089 153 L CA -0.431 54.217 54.840 -0.320 0.000 0.833 153 L CB 0.444 42.315 42.059 -0.312 0.000 1.170 153 L HN 0.719 nan 8.230 nan 0.000 0.442 154 R N 6.765 127.095 120.500 -0.284 0.000 2.242 154 R HA 0.354 4.694 4.340 0.001 0.000 0.334 154 R C -0.327 175.915 176.300 -0.096 0.000 1.071 154 R CA -0.409 55.606 56.100 -0.142 0.000 0.922 154 R CB 0.286 30.500 30.300 -0.144 0.000 1.023 154 R HN 0.729 nan 8.270 nan 0.000 0.458 155 I N 1.546 122.113 120.570 -0.005 0.000 2.499 155 I HA 0.547 4.718 4.170 0.001 0.000 0.296 155 I C 0.143 176.277 176.117 0.029 0.000 0.992 155 I CA -1.043 60.260 61.300 0.005 0.000 1.297 155 I CB 1.678 39.694 38.000 0.026 0.000 1.410 155 I HN 0.647 nan 8.210 nan 0.000 0.507 156 A N 4.074 126.892 122.820 -0.004 0.000 2.483 156 A HA 0.482 4.802 4.320 0.001 0.000 0.238 156 A C 0.528 178.081 177.584 -0.052 0.000 1.070 156 A CA 0.323 52.354 52.037 -0.010 0.000 0.770 156 A CB -0.192 18.792 19.000 -0.026 0.000 1.008 156 A HN 0.932 nan 8.150 nan 0.000 0.497 157 T N -0.881 113.636 114.554 -0.061 0.000 2.905 157 T HA 0.522 4.873 4.350 0.001 0.000 0.283 157 T C 0.302 174.928 174.700 -0.123 0.000 1.031 157 T CA -0.119 61.898 62.100 -0.139 0.000 1.002 157 T CB 1.220 69.990 68.868 -0.163 0.000 1.200 157 T HN 0.403 nan 8.240 nan 0.000 0.560 158 D N 0.850 121.155 120.400 -0.158 0.000 2.146 158 D HA 0.071 4.712 4.640 0.001 0.000 0.209 158 D C 0.273 176.512 176.300 -0.102 0.000 0.973 158 D CA 1.077 55.003 54.000 -0.122 0.000 0.860 158 D CB -0.314 40.404 40.800 -0.137 0.000 1.015 158 D HN 0.839 nan 8.370 nan 0.000 0.465 159 D N -0.284 120.045 120.400 -0.118 0.000 2.312 159 D HA 0.192 4.833 4.640 0.001 0.000 0.252 159 D C -0.087 176.172 176.300 -0.069 0.000 1.150 159 D CA -0.261 53.681 54.000 -0.097 0.000 0.870 159 D CB 1.071 41.804 40.800 -0.112 0.000 1.153 159 D HN -0.182 nan 8.370 nan 0.000 0.457 160 S N 1.669 117.335 115.700 -0.056 0.000 2.618 160 S HA -0.124 4.346 4.470 0.001 0.000 0.313 160 S C 0.148 174.724 174.600 -0.039 0.000 1.252 160 S CA 0.415 58.589 58.200 -0.044 0.000 1.022 160 S CB 0.136 63.314 63.200 -0.038 0.000 0.706 160 S HN 0.551 nan 8.310 nan 0.000 0.466 161 K N 0.610 120.988 120.400 -0.037 0.000 2.208 161 K HA 0.735 5.056 4.320 0.001 0.000 0.240 161 K C 0.824 177.394 176.600 -0.049 0.000 1.088 161 K CA -0.351 55.913 56.287 -0.039 0.000 0.902 161 K CB 0.924 33.402 32.500 -0.038 0.000 1.355 161 K HN 0.527 nan 8.250 nan 0.000 0.526 162 A N 0.224 123.008 122.820 -0.060 0.000 1.997 162 A HA 0.293 4.613 4.320 0.001 0.000 0.214 162 A C 0.131 177.680 177.584 -0.059 0.000 1.458 162 A CA 0.548 52.535 52.037 -0.085 0.000 0.692 162 A CB 0.268 19.180 19.000 -0.147 0.000 1.145 162 A HN 0.231 nan 8.150 nan 0.000 0.515 163 V N -1.076 118.811 119.914 -0.045 0.000 3.102 163 V HA 0.478 4.599 4.120 0.001 0.000 0.312 163 V C -1.568 174.509 176.094 -0.028 0.000 1.135 163 V CA -0.845 61.434 62.300 -0.035 0.000 1.022 163 V CB 2.103 33.907 31.823 -0.031 0.000 1.056 163 V HN 0.508 nan 8.190 nan 0.000 0.436 164 C N 4.873 124.157 119.300 -0.027 0.000 2.294 164 C HA 0.922 5.382 4.460 0.001 0.000 0.319 164 C C -0.046 174.929 174.990 -0.025 0.000 1.164 164 C CA -0.722 58.280 59.018 -0.026 0.000 1.497 164 C CB -0.137 27.588 27.740 -0.025 0.000 2.061 164 C HN 0.807 nan 8.230 nan 0.000 0.438 165 R N 1.470 121.955 120.500 -0.026 0.000 2.795 165 R HA 0.664 5.005 4.340 0.001 0.000 0.268 165 R C 0.300 176.583 176.300 -0.029 0.000 1.041 165 R CA -1.003 55.082 56.100 -0.026 0.000 0.927 165 R CB 0.240 30.524 30.300 -0.026 0.000 1.235 165 R HN 0.366 nan 8.270 nan 0.000 0.463 166 L N -0.400 120.805 121.223 -0.029 0.000 2.109 166 L HA 0.231 4.572 4.340 0.001 0.000 0.207 166 L C 0.376 177.226 176.870 -0.033 0.000 1.086 166 L CA 1.131 55.954 54.840 -0.028 0.000 0.760 166 L CB -0.485 41.559 42.059 -0.026 0.000 0.910 166 L HN 0.574 nan 8.230 nan 0.000 0.437 167 S N -2.019 113.657 115.700 -0.040 0.000 2.546 167 S HA 0.646 5.117 4.470 0.001 0.000 0.274 167 S C -0.818 173.745 174.600 -0.062 0.000 1.121 167 S CA -0.814 57.356 58.200 -0.050 0.000 0.887 167 S CB 2.299 65.468 63.200 -0.053 0.000 1.094 167 S HN -0.160 nan 8.310 nan 0.000 0.474 168 V N 2.416 122.291 119.914 -0.064 0.000 2.532 168 V HA 0.432 4.553 4.120 0.001 0.000 0.295 168 V C 1.204 177.218 176.094 -0.133 0.000 1.041 168 V CA -0.682 61.572 62.300 -0.076 0.000 0.926 168 V CB 1.688 33.485 31.823 -0.043 0.000 0.992 168 V HN 1.071 nan 8.190 nan 0.000 0.457 169 K N 3.766 124.028 120.400 -0.230 0.000 2.097 169 K HA 0.024 4.344 4.320 0.001 0.000 0.205 169 K C -0.299 175.950 176.600 -0.586 0.000 1.050 169 K CA 1.392 57.378 56.287 -0.503 0.000 0.938 169 K CB 0.098 32.164 32.500 -0.723 0.000 0.718 169 K HN 0.489 nan 8.250 nan 0.000 0.442 170 F N -0.791 119.153 119.950 -0.010 0.000 2.603 170 F HA 0.522 5.049 4.527 0.001 0.000 0.317 170 F C -0.083 175.702 175.800 -0.025 0.000 1.066 170 F CA -0.694 57.295 58.000 -0.019 0.000 0.941 170 F CB 2.316 41.309 39.000 -0.011 0.000 1.291 170 F HN 0.121 nan 8.300 nan 0.000 0.472 171 G N 1.189 110.089 108.800 0.167 0.000 3.448 171 G HA2 0.495 4.456 3.960 0.001 0.000 0.685 171 G HA3 0.495 4.456 3.960 0.001 0.000 0.685 171 G C -1.054 173.846 174.900 0.000 0.000 1.151 171 G CA -0.741 44.395 45.100 0.059 0.000 1.023 171 G HN 1.056 nan 8.290 nan 0.000 0.499 172 A N 2.589 125.380 122.820 -0.050 0.000 2.322 172 A HA 0.943 5.263 4.320 0.001 0.000 0.269 172 A C 1.245 178.803 177.584 -0.043 0.000 1.094 172 A CA 0.727 52.728 52.037 -0.060 0.000 0.807 172 A CB 0.458 19.389 19.000 -0.115 0.000 1.047 172 A HN 2.353 nan 8.150 nan 0.000 0.487 173 T N -0.083 114.450 114.554 -0.034 0.000 2.754 173 T HA 0.340 4.691 4.350 0.001 0.000 0.286 173 T C 1.324 176.008 174.700 -0.027 0.000 0.997 173 T CA -0.405 61.677 62.100 -0.030 0.000 0.982 173 T CB 0.171 69.023 68.868 -0.025 0.000 1.027 173 T HN 0.409 nan 8.240 nan 0.000 0.529 174 L N 0.115 121.325 121.223 -0.023 0.000 2.079 174 L HA -0.139 4.201 4.340 0.001 0.000 0.210 174 L C 3.078 179.946 176.870 -0.004 0.000 1.081 174 L CA 1.535 56.367 54.840 -0.012 0.000 0.752 174 L CB -0.567 41.484 42.059 -0.013 0.000 0.896 174 L HN 0.635 nan 8.230 nan 0.000 0.433 175 R N -0.635 119.861 120.500 -0.005 0.000 2.073 175 R HA -0.065 4.276 4.340 0.001 0.000 0.229 175 R C 2.248 178.550 176.300 0.004 0.000 1.120 175 R CA 1.538 57.638 56.100 0.001 0.000 0.967 175 R CB -1.319 28.979 30.300 -0.002 0.000 0.862 175 R HN 0.189 nan 8.270 nan 0.000 0.436 176 T N 0.304 114.855 114.554 -0.005 0.000 2.788 176 T HA -0.099 4.251 4.350 0.001 0.000 0.268 176 T C 1.928 176.624 174.700 -0.006 0.000 1.044 176 T CA 1.679 63.775 62.100 -0.006 0.000 1.139 176 T CB -0.247 68.611 68.868 -0.017 0.000 0.867 176 T HN 0.175 nan 8.240 nan 0.000 0.454 177 S N 0.689 116.380 115.700 -0.015 0.000 2.383 177 S HA -0.064 4.407 4.470 0.001 0.000 0.227 177 S C 2.132 176.747 174.600 0.025 0.000 1.026 177 S CA 1.033 59.222 58.200 -0.018 0.000 0.981 177 S CB -0.176 63.014 63.200 -0.016 0.000 0.818 177 S HN 0.369 nan 8.310 nan 0.000 0.472 178 R N 1.410 121.929 120.500 0.032 0.000 2.081 178 R HA 0.041 4.382 4.340 0.001 0.000 0.235 178 R C 2.000 178.337 176.300 0.062 0.000 1.131 178 R CA 1.211 57.342 56.100 0.052 0.000 0.960 178 R CB -0.601 29.724 30.300 0.042 0.000 0.856 178 R HN 0.364 nan 8.270 nan 0.000 0.436 179 L N 0.137 121.390 121.223 0.051 0.000 2.042 179 L HA -0.203 4.138 4.340 0.001 0.000 0.210 179 L C 2.354 179.273 176.870 0.083 0.000 1.076 179 L CA 1.286 56.160 54.840 0.057 0.000 0.749 179 L CB -0.574 41.510 42.059 0.041 0.000 0.893 179 L HN 0.241 nan 8.230 nan 0.000 0.432 180 L N -0.574 120.703 121.223 0.091 0.000 2.083 180 L HA -0.214 4.126 4.340 0.001 0.000 0.209 180 L C 2.511 179.499 176.870 0.197 0.000 1.083 180 L CA 1.136 56.070 54.840 0.156 0.000 0.752 180 L CB -0.363 41.777 42.059 0.136 0.000 0.899 180 L HN 0.263 nan 8.230 nan 0.000 0.433 181 L N -0.704 120.624 121.223 0.174 0.000 2.072 181 L HA -0.174 4.166 4.340 0.001 0.000 0.205 181 L C 2.471 179.507 176.870 0.276 0.000 1.079 181 L CA 1.171 56.157 54.840 0.244 0.000 0.752 181 L CB -0.405 41.798 42.059 0.241 0.000 0.906 181 L HN 0.236 nan 8.230 nan 0.000 0.436 182 E N -0.245 120.055 120.200 0.166 0.000 2.072 182 E HA -0.252 4.099 4.350 0.001 0.000 0.191 182 E C 2.213 178.875 176.600 0.103 0.000 0.985 182 E CA 0.923 57.390 56.400 0.111 0.000 0.801 182 E CB -0.029 29.713 29.700 0.070 0.000 0.750 182 E HN 0.191 nan 8.360 nan 0.000 0.452 183 R N 1.135 121.698 120.500 0.104 0.000 2.081 183 R HA -0.108 4.233 4.340 0.001 0.000 0.235 183 R C 2.026 178.379 176.300 0.088 0.000 1.131 183 R CA 1.609 57.760 56.100 0.084 0.000 0.960 183 R CB -0.624 29.726 30.300 0.082 0.000 0.856 183 R HN 0.164 nan 8.270 nan 0.000 0.436 184 A N 0.714 123.607 122.820 0.121 0.000 1.851 184 A HA -0.227 4.093 4.320 0.001 0.000 0.216 184 A C 2.093 179.783 177.584 0.176 0.000 1.195 184 A CA 2.059 54.155 52.037 0.099 0.000 0.622 184 A CB -0.704 18.331 19.000 0.057 0.000 0.831 184 A HN 0.314 nan 8.150 nan 0.000 0.444 185 K N 0.114 120.683 120.400 0.282 0.000 2.127 185 K HA -0.218 4.103 4.320 0.001 0.000 0.208 185 K C 1.938 178.561 176.600 0.038 0.000 1.047 185 K CA 2.134 58.491 56.287 0.117 0.000 0.927 185 K CB -0.255 32.206 32.500 -0.065 0.000 0.716 185 K HN 0.721 nan 8.250 nan 0.000 0.450 186 E N -0.418 119.808 120.200 0.043 0.000 2.285 186 E HA -0.084 4.266 4.350 0.001 0.000 0.194 186 E C 1.200 177.812 176.600 0.019 0.000 0.997 186 E CA 0.459 56.871 56.400 0.021 0.000 0.845 186 E CB 0.048 29.762 29.700 0.022 0.000 0.782 186 E HN 0.322 nan 8.360 nan 0.000 0.491 187 L N 1.100 122.338 121.223 0.025 0.000 2.599 187 L HA 0.081 4.422 4.340 0.001 0.000 0.230 187 L C 0.121 176.999 176.870 0.013 0.000 1.141 187 L CA -0.118 54.728 54.840 0.011 0.000 0.877 187 L CB -0.330 41.728 42.059 -0.003 0.000 1.009 187 L HN 0.104 nan 8.230 nan 0.000 0.447 188 N N 1.203 119.919 118.700 0.028 0.000 2.714 188 N HA -0.182 4.558 4.740 0.001 0.000 0.253 188 N C -0.402 175.130 175.510 0.036 0.000 1.024 188 N CA 0.829 53.898 53.050 0.033 0.000 0.726 188 N CB -1.124 37.372 38.487 0.014 0.000 0.908 188 N HN 0.348 nan 8.380 nan 0.000 0.542 189 I N 0.143 120.743 120.570 0.049 0.000 2.441 189 I HA 0.146 4.317 4.170 0.001 0.000 0.295 189 I C 0.426 176.566 176.117 0.039 0.000 0.994 189 I CA -0.736 60.556 61.300 -0.014 0.000 1.144 189 I CB 1.706 39.636 38.000 -0.117 0.000 1.314 189 I HN -0.133 nan 8.210 nan 0.000 0.445 190 D N 5.660 126.048 120.400 -0.020 0.000 2.336 190 D HA 0.186 4.826 4.640 0.001 0.000 0.249 190 D C -0.635 175.503 176.300 -0.270 0.000 1.213 190 D CA -0.038 53.959 54.000 -0.005 0.000 0.870 190 D CB 0.975 41.783 40.800 0.013 0.000 1.076 190 D HN 0.028 nan 8.370 nan 0.000 0.483 191 V N 5.213 124.724 119.914 -0.671 0.000 2.408 191 V HA 0.080 4.200 4.120 0.001 0.000 0.267 191 V C 1.461 177.236 176.094 -0.532 0.000 1.047 191 V CA -0.400 61.489 62.300 -0.686 0.000 0.937 191 V CB 1.178 32.426 31.823 -0.959 0.000 0.999 191 V HN 0.538 nan 8.190 nan 0.000 0.472 192 V N 2.029 121.731 119.914 -0.353 0.000 3.621 192 V HA 0.788 4.908 4.120 0.001 0.000 0.285 192 V C 0.707 176.471 176.094 -0.550 0.000 1.346 192 V CA 0.845 62.926 62.300 -0.366 0.000 1.104 192 V CB -0.165 31.459 31.823 -0.331 0.000 0.913 192 V HN 0.973 nan 8.190 nan 0.000 0.432 193 G N -0.787 107.746 108.800 -0.446 0.000 2.325 193 G HA2 0.505 4.465 3.960 0.001 0.000 0.295 193 G HA3 0.505 4.465 3.960 0.001 0.000 0.295 193 G C -1.831 172.971 174.900 -0.163 0.000 1.274 193 G CA 0.082 44.937 45.100 -0.409 0.000 0.857 193 G HN 0.397 nan 8.290 nan 0.000 0.499 194 V N 0.611 120.541 119.914 0.027 0.000 2.789 194 V HA 0.830 4.951 4.120 0.001 0.000 0.311 194 V C 0.104 176.199 176.094 0.002 0.000 1.073 194 V CA -0.078 62.268 62.300 0.077 0.000 0.921 194 V CB 1.683 33.664 31.823 0.262 0.000 1.009 194 V HN 1.519 nan 8.190 nan 0.000 0.426 195 S N 3.300 118.978 115.700 -0.036 0.000 2.632 195 S HA 0.981 5.452 4.470 0.001 0.000 0.289 195 S C -1.041 173.552 174.600 -0.011 0.000 1.115 195 S CA -0.666 57.459 58.200 -0.124 0.000 0.889 195 S CB 2.451 65.553 63.200 -0.163 0.000 1.116 195 S HN 1.070 nan 8.310 nan 0.000 0.486 196 F N -1.532 118.413 119.950 -0.007 0.000 2.662 196 F HA 0.801 5.329 4.527 0.001 0.000 0.312 196 F C -1.144 174.697 175.800 0.069 0.000 1.113 196 F CA -1.052 56.947 58.000 -0.001 0.000 0.951 196 F CB 1.036 40.012 39.000 -0.040 0.000 1.344 196 F HN 0.882 nan 8.300 nan 0.000 0.462 197 H N 0.729 119.911 119.070 0.187 0.000 2.823 197 H HA 0.618 5.174 4.556 0.001 0.000 0.332 197 H C -0.552 174.815 175.328 0.065 0.000 0.980 197 H CA -0.817 55.286 56.048 0.092 0.000 1.286 197 H CB 1.812 31.591 29.762 0.028 0.000 1.541 197 H HN 0.535 nan 8.280 nan 0.000 0.521 198 V N 4.004 123.734 119.914 -0.306 0.000 2.283 198 V HA 0.230 4.350 4.120 0.001 0.000 0.243 198 V C 1.397 177.140 176.094 -0.585 0.000 1.039 198 V CA 1.375 63.380 62.300 -0.493 0.000 1.016 198 V CB -1.119 30.203 31.823 -0.835 0.000 0.650 198 V HN 1.175 nan 8.190 nan 0.000 0.449 199 G N -0.049 108.302 108.800 -0.748 0.000 2.612 199 G HA2 -0.115 3.845 3.960 0.001 0.000 0.686 199 G HA3 -0.115 3.845 3.960 0.001 0.000 0.686 199 G C 0.344 175.141 174.900 -0.172 0.000 1.274 199 G CA 0.046 44.815 45.100 -0.552 0.000 0.849 199 G HN 0.727 nan 8.290 nan 0.000 0.595 200 S N -1.022 114.664 115.700 -0.023 0.000 2.528 200 S HA 0.324 4.794 4.470 0.001 0.000 0.219 200 S C 1.966 176.604 174.600 0.062 0.000 0.985 200 S CA 1.342 59.579 58.200 0.061 0.000 0.914 200 S CB 0.807 64.082 63.200 0.125 0.000 0.776 200 S HN 1.993 nan 8.310 nan 0.000 0.526 201 G N 0.862 109.679 108.800 0.029 0.000 3.233 201 G HA2 0.127 4.088 3.960 0.001 0.000 0.227 201 G HA3 0.127 4.088 3.960 0.001 0.000 0.227 201 G C 0.419 175.319 174.900 0.000 0.000 1.175 201 G CA -0.303 44.815 45.100 0.029 0.000 0.781 201 G HN 0.631 nan 8.290 nan 0.000 0.542 202 C N 1.076 120.359 119.300 -0.028 0.000 1.912 202 C HA 0.031 4.491 4.460 0.001 0.000 0.414 202 C C 2.064 177.074 174.990 0.032 0.000 1.545 202 C CA 1.084 60.094 59.018 -0.014 0.000 1.468 202 C CB -0.705 27.038 27.740 0.005 0.000 2.697 202 C HN 0.338 nan 8.230 nan 0.000 0.597 203 T N 2.438 117.003 114.554 0.019 0.000 3.035 203 T HA 0.048 4.399 4.350 0.001 0.000 0.259 203 T C 0.267 174.991 174.700 0.040 0.000 1.078 203 T CA 1.270 63.388 62.100 0.030 0.000 1.132 203 T CB -0.216 68.660 68.868 0.012 0.000 0.900 203 T HN 0.884 nan 8.240 nan 0.000 0.480 204 D N 0.531 120.954 120.400 0.038 0.000 2.505 204 D HA 0.291 4.931 4.640 0.001 0.000 0.250 204 D C -1.939 174.412 176.300 0.086 0.000 1.164 204 D CA -2.395 51.630 54.000 0.042 0.000 0.870 204 D CB 2.146 42.953 40.800 0.013 0.000 1.160 204 D HN -0.041 nan 8.370 nan 0.000 0.549 205 P HA -0.102 nan 4.420 nan 0.000 0.225 205 P C 0.857 178.270 177.300 0.187 0.000 1.148 205 P CA 0.572 63.791 63.100 0.198 0.000 0.779 205 P CB 0.609 32.367 31.700 0.098 0.000 0.780 206 E N -0.281 119.975 120.200 0.094 0.000 2.204 206 E HA -0.090 4.260 4.350 0.001 0.000 0.195 206 E C 1.798 178.410 176.600 0.021 0.000 0.990 206 E CA 1.142 57.577 56.400 0.059 0.000 0.821 206 E CB -1.247 28.467 29.700 0.023 0.000 0.750 206 E HN 0.311 nan 8.360 nan 0.000 0.477 207 T N 0.617 115.161 114.554 -0.017 0.000 2.778 207 T HA -0.154 4.196 4.350 0.001 0.000 0.269 207 T C 1.631 176.188 174.700 -0.238 0.000 1.050 207 T CA 1.013 63.023 62.100 -0.150 0.000 1.137 207 T CB -0.398 68.339 68.868 -0.219 0.000 0.860 207 T HN 0.137 nan 8.240 nan 0.000 0.468 208 F N 0.734 120.630 119.950 -0.090 0.000 2.234 208 F HA -0.036 4.492 4.527 0.002 0.000 0.299 208 F C 2.419 178.167 175.800 -0.088 0.000 1.087 208 F CA 0.443 58.405 58.000 -0.063 0.000 1.340 208 F CB -0.484 38.547 39.000 0.052 0.000 1.031 208 F HN -0.007 nan 8.300 nan 0.000 0.500 209 V N -0.752 119.227 119.914 0.109 0.000 2.346 209 V HA -0.244 3.876 4.120 0.001 0.000 0.244 209 V C 2.259 178.319 176.094 -0.058 0.000 1.037 209 V CA 1.667 64.015 62.300 0.079 0.000 1.029 209 V CB -0.600 31.281 31.823 0.098 0.000 0.663 209 V HN 0.210 nan 8.190 nan 0.000 0.454 210 Q N 0.948 120.680 119.800 -0.113 0.000 2.124 210 Q HA -0.138 4.202 4.340 0.001 0.000 0.202 210 Q C 2.066 177.879 176.000 -0.311 0.000 0.977 210 Q CA 2.234 57.925 55.803 -0.187 0.000 0.850 210 Q CB -0.533 28.109 28.738 -0.160 0.000 0.901 210 Q HN 0.588 nan 8.270 nan 0.000 0.429 211 A N -0.102 122.433 122.820 -0.476 0.000 1.929 211 A HA -0.072 4.249 4.320 0.001 0.000 0.216 211 A C 2.093 179.285 177.584 -0.654 0.000 1.176 211 A CA 1.232 52.769 52.037 -0.834 0.000 0.628 211 A CB -0.595 17.310 19.000 -1.825 0.000 0.816 211 A HN 0.467 nan 8.150 nan 0.000 0.444 212 I N -0.616 119.730 120.570 -0.373 0.000 2.226 212 I HA -0.214 3.957 4.170 0.001 0.000 0.245 212 I C 2.835 178.830 176.117 -0.204 0.000 1.100 212 I CA 1.504 62.796 61.300 -0.013 0.000 1.374 212 I CB -0.191 37.915 38.000 0.176 0.000 1.057 212 I HN 0.421 nan 8.210 nan 0.000 0.413 213 S N 0.624 115.999 115.700 -0.543 0.000 2.368 213 S HA -0.210 4.261 4.470 0.001 0.000 0.224 213 S C 1.708 176.065 174.600 -0.406 0.000 1.029 213 S CA 1.706 59.380 58.200 -0.876 0.000 0.988 213 S CB -0.281 62.477 63.200 -0.738 0.000 0.838 213 S HN 0.355 nan 8.310 nan 0.000 0.462 214 D N 1.564 121.808 120.400 -0.261 0.000 2.149 214 D HA -0.033 4.607 4.640 0.001 0.000 0.198 214 D C 2.170 178.453 176.300 -0.028 0.000 0.990 214 D CA 1.360 55.277 54.000 -0.138 0.000 0.839 214 D CB -0.634 40.078 40.800 -0.147 0.000 0.948 214 D HN 0.519 nan 8.370 nan 0.000 0.460 215 A N 0.682 123.518 122.820 0.027 0.000 1.930 215 A HA -0.156 4.165 4.320 0.001 0.000 0.217 215 A C 2.166 179.918 177.584 0.280 0.000 1.175 215 A CA 1.695 53.859 52.037 0.211 0.000 0.627 215 A CB -0.411 18.759 19.000 0.284 0.000 0.815 215 A HN 0.136 nan 8.150 nan 0.000 0.443 216 R N -0.264 120.307 120.500 0.117 0.000 2.115 216 R HA -0.135 4.206 4.340 0.001 0.000 0.230 216 R C 2.077 178.390 176.300 0.022 0.000 1.111 216 R CA 1.882 57.917 56.100 -0.109 0.000 0.976 216 R CB -1.429 28.618 30.300 -0.421 0.000 0.870 216 R HN 0.532 nan 8.270 nan 0.000 0.445 217 C N -0.689 118.617 119.300 0.011 0.000 2.422 217 C HA 0.039 4.500 4.460 0.001 0.000 0.279 217 C C 2.343 177.398 174.990 0.109 0.000 1.305 217 C CA 0.796 59.841 59.018 0.045 0.000 1.757 217 C CB -0.782 26.960 27.740 0.004 0.000 1.962 217 C HN 0.429 nan 8.230 nan 0.000 0.499 218 V N 0.187 120.195 119.914 0.158 0.000 2.488 218 V HA -0.059 4.062 4.120 0.001 0.000 0.246 218 V C 2.225 178.481 176.094 0.269 0.000 1.046 218 V CA 1.800 64.207 62.300 0.179 0.000 1.053 218 V CB -0.935 30.981 31.823 0.155 0.000 0.679 218 V HN 0.432 nan 8.190 nan 0.000 0.458 219 F N 1.259 121.282 119.950 0.122 0.000 2.120 219 F HA -0.196 4.332 4.527 0.001 0.000 0.300 219 F C 2.266 178.130 175.800 0.107 0.000 1.095 219 F CA 1.764 59.850 58.000 0.143 0.000 1.249 219 F CB -0.698 38.431 39.000 0.214 0.000 0.995 219 F HN 0.256 nan 8.300 nan 0.000 0.480 220 D N -0.586 119.972 120.400 0.263 0.000 2.183 220 D HA -0.142 4.498 4.640 0.001 0.000 0.203 220 D C 2.357 178.732 176.300 0.125 0.000 0.969 220 D CA 1.050 55.145 54.000 0.159 0.000 0.842 220 D CB -0.420 40.441 40.800 0.101 0.000 0.957 220 D HN 0.266 nan 8.370 nan 0.000 0.484 221 M N 0.489 120.163 119.600 0.122 0.000 2.080 221 M HA -0.065 4.415 4.480 0.001 0.000 0.260 221 M C 2.388 178.765 176.300 0.129 0.000 1.068 221 M CA 1.802 57.165 55.300 0.105 0.000 1.109 221 M CB -0.722 31.933 32.600 0.093 0.000 1.342 221 M HN 0.025 nan 8.290 nan 0.000 0.405 222 G N 0.445 109.339 108.800 0.155 0.000 2.599 222 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 222 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 222 G C 1.654 176.661 174.900 0.178 0.000 1.193 222 G CA 1.534 46.765 45.100 0.217 0.000 0.778 222 G HN 0.570 nan 8.290 nan 0.000 0.589 223 A N 0.565 123.463 122.820 0.131 0.000 1.908 223 A HA -0.092 4.228 4.320 0.001 0.000 0.218 223 A C 2.196 179.812 177.584 0.053 0.000 1.181 223 A CA 2.131 54.224 52.037 0.092 0.000 0.627 223 A CB -0.495 18.565 19.000 0.100 0.000 0.818 223 A HN 0.525 nan 8.150 nan 0.000 0.445 224 E N -0.524 119.711 120.200 0.057 0.000 2.085 224 E HA -0.143 4.208 4.350 0.001 0.000 0.194 224 E C 1.717 178.319 176.600 0.003 0.000 0.994 224 E CA 1.722 58.141 56.400 0.032 0.000 0.801 224 E CB -0.258 29.465 29.700 0.039 0.000 0.743 224 E HN 0.668 nan 8.360 nan 0.000 0.453 225 V N -3.358 116.554 119.914 -0.003 0.000 3.596 225 V HA 0.434 4.555 4.120 0.001 0.000 0.289 225 V C 1.054 177.017 176.094 -0.219 0.000 1.336 225 V CA 0.431 62.684 62.300 -0.078 0.000 1.137 225 V CB 0.090 31.883 31.823 -0.049 0.000 0.966 225 V HN 0.300 nan 8.190 nan 0.000 0.428 226 G N -0.330 108.360 108.800 -0.184 0.000 2.163 226 G HA2 -0.206 3.754 3.960 0.001 0.000 0.213 226 G HA3 -0.206 3.754 3.960 0.001 0.000 0.213 226 G C -0.369 174.342 174.900 -0.315 0.000 0.991 226 G CA -0.171 44.787 45.100 -0.237 0.000 0.653 226 G HN 0.430 nan 8.290 nan 0.000 0.518 227 F N 1.875 121.823 119.950 -0.004 0.000 2.443 227 F HA 0.558 5.086 4.527 0.001 0.000 0.353 227 F C 1.220 177.014 175.800 -0.011 0.000 1.101 227 F CA -0.228 57.761 58.000 -0.018 0.000 1.226 227 F CB 1.659 40.632 39.000 -0.045 0.000 1.140 227 F HN -0.034 nan 8.300 nan 0.000 0.557 228 S N 4.740 120.555 115.700 0.192 0.000 3.363 228 S HA 0.324 4.794 4.470 0.001 0.000 0.267 228 S C 0.101 174.772 174.600 0.118 0.000 1.288 228 S CA -0.491 57.794 58.200 0.141 0.000 0.948 228 S CB -0.452 62.826 63.200 0.130 0.000 1.397 228 S HN 0.425 nan 8.310 nan 0.000 0.493 229 M N 2.807 122.385 119.600 -0.037 0.000 2.235 229 M HA 0.217 4.697 4.480 0.001 0.000 0.351 229 M C 0.602 176.836 176.300 -0.111 0.000 1.178 229 M CA 0.024 55.117 55.300 -0.346 0.000 1.143 229 M CB 0.599 32.615 32.600 -0.974 0.000 1.530 229 M HN 0.791 nan 8.290 nan 0.000 0.461 230 Y N 1.372 121.625 120.300 -0.078 0.000 2.437 230 Y HA 0.502 5.052 4.550 0.001 0.000 0.266 230 Y C -0.592 175.436 175.900 0.213 0.000 1.077 230 Y CA -0.690 57.504 58.100 0.155 0.000 1.235 230 Y CB 0.425 38.939 38.460 0.090 0.000 1.303 230 Y HN 0.463 nan 8.280 nan 0.000 0.536 231 L N 2.975 123.933 121.223 -0.441 0.000 2.262 231 L HA 0.550 4.890 4.340 0.001 0.000 0.288 231 L C -1.262 175.601 176.870 -0.012 0.000 1.035 231 L CA -0.932 53.727 54.840 -0.303 0.000 0.820 231 L CB 1.362 43.060 42.059 -0.602 0.000 1.204 231 L HN 0.343 nan 8.230 nan 0.000 0.424 232 L N 5.273 126.482 121.223 -0.023 0.000 2.305 232 L HA 0.564 4.904 4.340 0.001 0.000 0.284 232 L C -1.147 175.607 176.870 -0.193 0.000 1.013 232 L CA 0.013 54.755 54.840 -0.163 0.000 0.819 232 L CB 1.398 43.122 42.059 -0.558 0.000 1.227 232 L HN 0.573 nan 8.230 nan 0.000 0.417 233 D N 4.787 125.052 120.400 -0.225 0.000 2.471 233 D HA 0.229 4.870 4.640 0.001 0.000 0.245 233 D C 0.666 176.698 176.300 -0.448 0.000 1.116 233 D CA -0.384 53.460 54.000 -0.260 0.000 0.853 233 D CB 1.059 41.710 40.800 -0.249 0.000 1.123 233 D HN 0.633 nan 8.370 nan 0.000 0.540 234 I N 1.110 121.458 120.570 -0.370 0.000 3.812 234 I HA 0.441 4.612 4.170 0.001 0.000 0.320 234 I C 1.026 176.934 176.117 -0.348 0.000 1.276 234 I CA -0.058 60.838 61.300 -0.673 0.000 1.164 234 I CB -0.344 37.632 38.000 -0.040 0.000 1.009 234 I HN 0.462 nan 8.210 nan 0.000 0.431 235 G N 1.012 109.750 108.800 -0.103 0.000 2.542 235 G HA2 -0.033 3.928 3.960 0.001 0.000 0.235 235 G HA3 -0.033 3.928 3.960 0.001 0.000 0.235 235 G C -0.078 175.059 174.900 0.395 0.000 1.286 235 G CA -0.415 44.755 45.100 0.117 0.000 0.904 235 G HN 0.820 nan 8.290 nan 0.000 0.577 236 G N -3.314 105.788 108.800 0.503 0.000 3.262 236 G HA2 0.805 4.766 3.960 0.001 0.000 0.229 236 G HA3 0.805 4.766 3.960 0.001 0.000 0.229 236 G C 1.178 176.156 174.900 0.129 0.000 1.280 236 G CA 1.102 46.482 45.100 0.467 0.000 0.951 236 G HN 2.577 nan 8.290 nan 0.000 0.589 237 G N -1.899 107.021 108.800 0.200 0.000 2.253 237 G HA2 -0.159 3.801 3.960 0.001 0.000 0.209 237 G HA3 -0.159 3.801 3.960 0.001 0.000 0.209 237 G C 0.297 175.243 174.900 0.078 0.000 0.997 237 G CA -0.002 45.112 45.100 0.023 0.000 0.640 237 G HN 0.676 nan 8.290 nan 0.000 0.496 238 F N 3.758 123.944 119.950 0.393 0.000 2.563 238 F HA 0.414 4.942 4.527 0.001 0.000 0.363 238 F C -0.906 175.118 175.800 0.372 0.000 1.123 238 F CA -1.381 56.858 58.000 0.397 0.000 1.307 238 F CB 0.128 39.404 39.000 0.459 0.000 1.115 238 F HN -0.065 nan 8.300 nan 0.000 0.592 239 P HA 0.074 nan 4.420 nan 0.000 0.271 239 P C 0.321 177.801 177.300 0.301 0.000 1.216 239 P CA -0.099 63.208 63.100 0.346 0.000 0.771 239 P CB 1.068 32.943 31.700 0.292 0.000 0.864 240 G N 1.362 110.280 108.800 0.197 0.000 3.088 240 G HA2 0.194 4.155 3.960 0.001 0.000 0.217 240 G HA3 0.194 4.155 3.960 0.001 0.000 0.217 240 G C 0.234 175.147 174.900 0.022 0.000 1.159 240 G CA 0.072 45.211 45.100 0.065 0.000 0.760 240 G HN 0.732 nan 8.290 nan 0.000 0.550 241 S N -1.749 113.996 115.700 0.075 0.000 2.588 241 S HA 0.408 4.878 4.470 0.001 0.000 0.269 241 S C -0.069 174.589 174.600 0.095 0.000 1.157 241 S CA -0.621 57.621 58.200 0.070 0.000 0.824 241 S CB 1.739 64.991 63.200 0.088 0.000 1.126 241 S HN -0.148 nan 8.310 nan 0.000 0.464 242 E N 0.489 120.738 120.200 0.082 0.000 2.511 242 E HA 0.070 4.421 4.350 0.001 0.000 0.196 242 E C -0.273 176.381 176.600 0.090 0.000 1.066 242 E CA 0.516 56.970 56.400 0.089 0.000 0.871 242 E CB -0.322 29.422 29.700 0.073 0.000 0.863 242 E HN 0.727 nan 8.360 nan 0.000 0.520 243 D N 0.337 120.794 120.400 0.094 0.000 3.168 243 D HA 0.072 4.713 4.640 0.001 0.000 0.255 243 D C -0.739 175.621 176.300 0.100 0.000 1.314 243 D CA -0.195 53.859 54.000 0.091 0.000 0.900 243 D CB 0.081 40.938 40.800 0.095 0.000 1.072 243 D HN -0.161 nan 8.370 nan 0.000 0.487 244 V N -2.391 117.584 119.914 0.101 0.000 2.971 244 V HA 0.404 4.525 4.120 0.001 0.000 0.309 244 V C 1.174 177.322 176.094 0.089 0.000 1.130 244 V CA -1.073 61.291 62.300 0.107 0.000 0.964 244 V CB 2.066 33.970 31.823 0.134 0.000 1.029 244 V HN -0.115 nan 8.190 nan 0.000 0.427 245 K N 1.253 121.698 120.400 0.076 0.000 2.032 245 K HA 0.003 4.323 4.320 0.001 0.000 0.209 245 K C 0.688 177.332 176.600 0.073 0.000 1.048 245 K CA 1.726 58.050 56.287 0.062 0.000 0.927 245 K CB -0.080 32.449 32.500 0.048 0.000 0.712 245 K HN 0.675 nan 8.250 nan 0.000 0.441 246 L N 2.561 123.838 121.223 0.089 0.000 2.259 246 L HA 0.165 4.506 4.340 0.001 0.000 0.288 246 L C -0.799 176.147 176.870 0.127 0.000 1.051 246 L CA -0.021 54.876 54.840 0.094 0.000 0.824 246 L CB 0.806 42.922 42.059 0.094 0.000 1.206 246 L HN -0.017 nan 8.230 nan 0.000 0.429 247 K N 3.264 123.735 120.400 0.118 0.000 2.102 247 K HA 0.086 4.407 4.320 0.001 0.000 0.244 247 K C 0.735 177.462 176.600 0.212 0.000 1.021 247 K CA -0.456 55.930 56.287 0.165 0.000 0.913 247 K CB 0.650 33.230 32.500 0.133 0.000 1.062 247 K HN 0.459 nan 8.250 nan 0.000 0.485 248 F N 2.087 122.105 119.950 0.113 0.000 2.069 248 F HA -0.196 4.332 4.527 0.000 0.000 0.298 248 F C 1.739 177.538 175.800 -0.001 0.000 1.113 248 F CA 1.940 60.001 58.000 0.101 0.000 1.214 248 F CB -0.059 39.032 39.000 0.152 0.000 0.978 248 F HN 0.599 nan 8.300 nan 0.000 0.474 249 E N -0.055 120.072 120.200 -0.123 0.000 2.274 249 E HA -0.170 4.180 4.350 0.001 0.000 0.194 249 E C 2.014 178.488 176.600 -0.210 0.000 0.996 249 E CA 0.971 57.200 56.400 -0.285 0.000 0.840 249 E CB -0.282 29.363 29.700 -0.091 0.000 0.772 249 E HN 0.663 nan 8.360 nan 0.000 0.491 250 E N 0.441 120.578 120.200 -0.106 0.000 2.150 250 E HA -0.163 4.187 4.350 0.001 0.000 0.193 250 E C 1.731 178.259 176.600 -0.121 0.000 0.985 250 E CA 0.896 57.248 56.400 -0.081 0.000 0.814 250 E CB -0.015 29.675 29.700 -0.016 0.000 0.752 250 E HN 0.278 nan 8.360 nan 0.000 0.466 251 I N 1.000 121.473 120.570 -0.161 0.000 2.286 251 I HA -0.202 3.968 4.170 0.001 0.000 0.245 251 I C 2.718 178.638 176.117 -0.328 0.000 1.104 251 I CA 1.508 62.684 61.300 -0.206 0.000 1.397 251 I CB -0.450 37.450 38.000 -0.167 0.000 1.072 251 I HN 0.312 nan 8.210 nan 0.000 0.417 252 T N -1.475 112.793 114.554 -0.478 0.000 2.881 252 T HA -0.078 4.273 4.350 0.001 0.000 0.270 252 T C 1.880 176.377 174.700 -0.339 0.000 1.068 252 T CA 1.201 62.975 62.100 -0.543 0.000 1.131 252 T CB -0.818 67.514 68.868 -0.894 0.000 0.871 252 T HN 0.413 nan 8.240 nan 0.000 0.479 253 G N 1.140 109.787 108.800 -0.256 0.000 2.572 253 G HA2 0.055 4.016 3.960 0.001 0.000 0.216 253 G HA3 0.055 4.016 3.960 0.001 0.000 0.216 253 G C 1.659 176.493 174.900 -0.110 0.000 1.133 253 G CA 0.778 45.781 45.100 -0.162 0.000 0.791 253 G HN 0.684 nan 8.290 nan 0.000 0.538 254 V N -1.278 118.578 119.914 -0.097 0.000 2.535 254 V HA 0.128 4.249 4.120 0.001 0.000 0.246 254 V C 2.479 178.558 176.094 -0.025 0.000 1.045 254 V CA 0.735 63.011 62.300 -0.041 0.000 1.058 254 V CB -0.435 31.387 31.823 -0.001 0.000 0.689 254 V HN 0.289 nan 8.190 nan 0.000 0.461 255 I N 1.150 121.676 120.570 -0.072 0.000 2.113 255 I HA -0.192 3.979 4.170 0.001 0.000 0.238 255 I C 2.721 178.827 176.117 -0.017 0.000 1.070 255 I CA 2.115 63.394 61.300 -0.036 0.000 1.332 255 I CB -0.668 37.250 38.000 -0.137 0.000 1.044 255 I HN 0.320 nan 8.210 nan 0.000 0.402 256 N N 0.675 119.322 118.700 -0.088 0.000 2.060 256 N HA -0.178 4.562 4.740 0.001 0.000 0.195 256 N C -0.904 174.593 175.510 -0.021 0.000 1.028 256 N CA 1.796 54.804 53.050 -0.069 0.000 0.861 256 N CB -1.730 36.685 38.487 -0.120 0.000 1.029 256 N HN 0.315 nan 8.380 nan 0.000 0.428 257 P HA 0.072 nan 4.420 nan 0.000 0.222 257 P C 0.760 178.073 177.300 0.021 0.000 1.153 257 P CA 1.092 64.186 63.100 -0.010 0.000 0.798 257 P CB -0.002 31.685 31.700 -0.021 0.000 0.796 258 A N -0.310 122.554 122.820 0.073 0.000 2.016 258 A HA -0.025 4.295 4.320 0.001 0.000 0.217 258 A C 2.233 179.961 177.584 0.241 0.000 1.162 258 A CA 0.832 52.974 52.037 0.175 0.000 0.662 258 A CB -1.387 17.761 19.000 0.247 0.000 0.812 258 A HN 0.100 nan 8.150 nan 0.000 0.450 259 L N -0.496 120.837 121.223 0.183 0.000 2.072 259 L HA -0.134 4.206 4.340 0.001 0.000 0.205 259 L C 1.815 178.789 176.870 0.174 0.000 1.079 259 L CA 1.205 56.178 54.840 0.221 0.000 0.752 259 L CB -0.603 41.532 42.059 0.128 0.000 0.906 259 L HN 0.269 nan 8.230 nan 0.000 0.436 260 D N 0.179 120.627 120.400 0.080 0.000 2.178 260 D HA -0.192 4.448 4.640 0.001 0.000 0.202 260 D C 2.042 178.335 176.300 -0.011 0.000 0.974 260 D CA 1.078 55.100 54.000 0.036 0.000 0.841 260 D CB 0.010 40.812 40.800 0.003 0.000 0.953 260 D HN 0.267 nan 8.370 nan 0.000 0.478 261 K N -0.364 120.000 120.400 -0.060 0.000 2.025 261 K HA -0.144 4.177 4.320 0.001 0.000 0.207 261 K C 1.685 178.125 176.600 -0.267 0.000 1.049 261 K CA 1.086 57.231 56.287 -0.237 0.000 0.933 261 K CB -0.025 32.218 32.500 -0.429 0.000 0.714 261 K HN 0.109 nan 8.250 nan 0.000 0.438 262 Y N -1.474 118.790 120.300 -0.060 0.000 2.503 262 Y HA 0.168 4.719 4.550 0.001 0.000 0.277 262 Y C 0.144 175.701 175.900 -0.572 0.000 1.102 262 Y CA 0.175 58.108 58.100 -0.279 0.000 1.261 262 Y CB 0.665 39.002 38.460 -0.206 0.000 1.096 262 Y HN -0.092 nan 8.280 nan 0.000 0.546 263 F N 1.134 121.117 119.950 0.055 0.000 2.646 263 F HA 0.385 4.912 4.527 0.001 0.000 0.336 263 F C -2.574 173.236 175.800 0.016 0.000 1.437 263 F CA -2.985 55.015 58.000 -0.000 0.000 1.142 263 F CB 0.387 39.358 39.000 -0.047 0.000 1.530 263 F HN -0.207 nan 8.300 nan 0.000 0.591 264 P HA 0.024 nan 4.420 nan 0.000 0.267 264 P C 0.903 178.264 177.300 0.102 0.000 1.200 264 P CA 0.346 63.494 63.100 0.080 0.000 0.772 264 P CB 1.002 32.721 31.700 0.032 0.000 0.855 265 S N 1.571 117.320 115.700 0.081 0.000 2.402 265 S HA -0.255 4.215 4.470 0.001 0.000 0.233 265 S C 1.055 175.702 174.600 0.078 0.000 1.030 265 S CA 1.767 60.014 58.200 0.080 0.000 1.003 265 S CB -1.266 61.969 63.200 0.059 0.000 0.813 265 S HN 0.636 nan 8.310 nan 0.000 0.477 266 D N 1.887 122.326 120.400 0.065 0.000 2.349 266 D HA 0.023 4.663 4.640 0.001 0.000 0.224 266 D C 1.484 177.830 176.300 0.076 0.000 1.029 266 D CA 0.644 54.680 54.000 0.060 0.000 0.879 266 D CB -0.373 40.453 40.800 0.043 0.000 0.906 266 D HN 0.572 nan 8.370 nan 0.000 0.528 267 S N -1.645 114.117 115.700 0.102 0.000 2.556 267 S HA 0.410 4.881 4.470 0.001 0.000 0.216 267 S C 1.815 176.513 174.600 0.163 0.000 0.970 267 S CA 0.022 58.297 58.200 0.126 0.000 0.912 267 S CB -0.021 63.265 63.200 0.143 0.000 0.790 267 S HN 0.531 nan 8.310 nan 0.000 0.504 268 G N 0.323 109.213 108.800 0.150 0.000 2.194 268 G HA2 -0.238 3.723 3.960 0.001 0.000 0.236 268 G HA3 -0.238 3.723 3.960 0.001 0.000 0.236 268 G C 0.128 175.154 174.900 0.210 0.000 0.987 268 G CA -0.047 45.147 45.100 0.156 0.000 0.635 268 G HN 0.926 nan 8.290 nan 0.000 0.520 269 V N 1.200 121.263 119.914 0.247 0.000 2.775 269 V HA 0.698 4.819 4.120 0.001 0.000 0.299 269 V C 0.780 177.011 176.094 0.228 0.000 1.062 269 V CA 0.173 62.656 62.300 0.304 0.000 1.063 269 V CB 1.369 33.384 31.823 0.320 0.000 0.994 269 V HN 0.580 nan 8.190 nan 0.000 0.483 270 R N 5.626 126.279 120.500 0.256 0.000 2.437 270 R HA 0.625 4.966 4.340 0.001 0.000 0.310 270 R C -1.353 175.005 176.300 0.096 0.000 0.955 270 R CA -0.598 55.613 56.100 0.185 0.000 0.851 270 R CB 1.166 31.616 30.300 0.249 0.000 1.161 270 R HN 0.746 nan 8.270 nan 0.000 0.446 271 I N 7.487 128.095 120.570 0.064 0.000 2.382 271 I HA 0.346 4.516 4.170 0.001 0.000 0.286 271 I C 0.198 176.351 176.117 0.060 0.000 1.002 271 I CA -0.742 60.564 61.300 0.010 0.000 1.135 271 I CB 1.386 39.380 38.000 -0.010 0.000 1.288 271 I HN 0.610 nan 8.210 nan 0.000 0.448 272 I N 3.137 123.719 120.570 0.019 0.000 3.237 272 I HA 1.054 5.225 4.170 0.001 0.000 0.308 272 I C -0.509 175.659 176.117 0.086 0.000 1.093 272 I CA -0.676 60.671 61.300 0.077 0.000 1.001 272 I CB 2.220 40.164 38.000 -0.093 0.000 1.245 272 I HN 0.563 nan 8.210 nan 0.000 0.485 273 A N 1.468 124.392 122.820 0.175 0.000 2.593 273 A HA 0.655 4.975 4.320 0.001 0.000 0.290 273 A C -1.214 176.479 177.584 0.182 0.000 1.126 273 A CA -0.659 51.514 52.037 0.226 0.000 0.695 273 A CB 1.639 20.945 19.000 0.510 0.000 1.290 273 A HN 0.783 nan 8.150 nan 0.000 0.414 274 E N 1.503 121.829 120.200 0.211 0.000 3.588 274 E HA 0.243 4.593 4.350 0.001 0.000 0.213 274 E C -2.623 174.125 176.600 0.246 0.000 1.168 274 E CA -1.598 54.899 56.400 0.163 0.000 1.254 274 E CB 0.763 30.497 29.700 0.058 0.000 1.302 274 E HN 0.456 nan 8.360 nan 0.000 0.429 275 P HA 0.006 nan 4.420 nan 0.000 0.271 275 P C 0.169 177.680 177.300 0.353 0.000 1.220 275 P CA 0.307 63.639 63.100 0.387 0.000 0.768 275 P CB 2.039 33.836 31.700 0.162 0.000 0.848 276 G N 4.615 113.621 108.800 0.343 0.000 2.710 276 G HA2 -0.048 3.913 3.960 0.001 0.000 0.215 276 G HA3 -0.048 3.913 3.960 0.001 0.000 0.215 276 G C 1.347 176.447 174.900 0.333 0.000 1.345 276 G CA -0.134 45.089 45.100 0.205 0.000 0.812 276 G HN 0.524 nan 8.290 nan 0.000 0.606 277 R N -0.630 120.059 120.500 0.314 0.000 2.148 277 R HA -0.015 4.326 4.340 0.001 0.000 0.227 277 R C 2.151 178.599 176.300 0.246 0.000 1.103 277 R CA 1.391 57.643 56.100 0.253 0.000 0.983 277 R CB -0.946 29.550 30.300 0.328 0.000 0.874 277 R HN 0.391 nan 8.270 nan 0.000 0.451 278 Y N 1.302 121.723 120.300 0.202 0.000 2.069 278 Y HA -0.344 4.206 4.550 0.001 0.000 0.278 278 Y C 1.516 177.371 175.900 -0.074 0.000 1.175 278 Y CA 1.873 60.003 58.100 0.049 0.000 1.134 278 Y CB -0.485 37.985 38.460 0.016 0.000 0.965 278 Y HN 0.012 nan 8.280 nan 0.000 0.498 279 Y N -1.002 119.301 120.300 0.004 0.000 2.373 279 Y HA -0.071 4.480 4.550 0.001 0.000 0.293 279 Y C 2.322 178.141 175.900 -0.135 0.000 1.129 279 Y CA 1.681 59.693 58.100 -0.148 0.000 1.226 279 Y CB 0.009 38.413 38.460 -0.092 0.000 1.000 279 Y HN 0.204 nan 8.280 nan 0.000 0.549 280 V N -5.231 114.740 119.914 0.095 0.000 3.485 280 V HA 0.475 4.595 4.120 0.001 0.000 0.280 280 V C 1.790 177.932 176.094 0.080 0.000 1.495 280 V CA 0.455 62.811 62.300 0.093 0.000 1.018 280 V CB -0.325 31.536 31.823 0.064 0.000 0.818 280 V HN 0.042 nan 8.190 nan 0.000 0.436 281 A N 2.523 125.373 122.820 0.049 0.000 1.877 281 A HA -0.148 4.172 4.320 0.001 0.000 0.216 281 A C 2.470 180.120 177.584 0.110 0.000 1.186 281 A CA 2.776 54.853 52.037 0.066 0.000 0.620 281 A CB -0.949 18.104 19.000 0.087 0.000 0.822 281 A HN 1.054 nan 8.150 nan 0.000 0.443 282 S N -0.264 115.483 115.700 0.079 0.000 2.461 282 S HA 0.226 4.696 4.470 0.001 0.000 0.228 282 S C 1.980 176.657 174.600 0.128 0.000 1.005 282 S CA 0.985 59.238 58.200 0.089 0.000 0.942 282 S CB -0.462 62.760 63.200 0.036 0.000 0.776 282 S HN 0.864 nan 8.310 nan 0.000 0.514 283 A N 0.813 123.732 122.820 0.164 0.000 2.019 283 A HA 0.214 4.534 4.320 0.001 0.000 0.219 283 A C 0.446 178.140 177.584 0.184 0.000 1.164 283 A CA 0.682 52.823 52.037 0.174 0.000 0.644 283 A CB -0.590 18.533 19.000 0.205 0.000 0.805 283 A HN 0.507 nan 8.150 nan 0.000 0.449 284 F N -0.012 119.971 119.950 0.056 0.000 2.427 284 F HA 0.475 5.002 4.527 0.001 0.000 0.346 284 F C 0.244 176.147 175.800 0.170 0.000 1.120 284 F CA -0.455 57.608 58.000 0.106 0.000 1.033 284 F CB 1.780 40.806 39.000 0.042 0.000 1.126 284 F HN -0.232 nan 8.300 nan 0.000 0.462 285 T N 4.960 119.683 114.554 0.282 0.000 2.829 285 T HA 0.577 4.928 4.350 0.001 0.000 0.280 285 T C -1.156 173.610 174.700 0.110 0.000 0.999 285 T CA -0.525 61.684 62.100 0.182 0.000 0.983 285 T CB 1.559 70.471 68.868 0.073 0.000 0.968 285 T HN 0.424 nan 8.240 nan 0.000 0.446 286 L N 2.887 124.103 121.223 -0.012 0.000 2.329 286 L HA 0.878 5.219 4.340 0.001 0.000 0.279 286 L C -0.629 176.089 176.870 -0.253 0.000 1.014 286 L CA -0.571 54.038 54.840 -0.384 0.000 0.814 286 L CB 1.042 42.733 42.059 -0.613 0.000 1.257 286 L HN 0.731 nan 8.230 nan 0.000 0.424 287 A N 5.255 127.767 122.820 -0.513 0.000 2.303 287 A HA 0.720 5.040 4.320 0.001 0.000 0.320 287 A C -0.777 176.782 177.584 -0.043 0.000 1.192 287 A CA -0.235 51.582 52.037 -0.367 0.000 0.821 287 A CB 1.086 19.478 19.000 -1.014 0.000 1.188 287 A HN 1.158 nan 8.150 nan 0.000 0.492 288 V N 1.010 121.063 119.914 0.232 0.000 2.715 288 V HA 0.585 4.706 4.120 0.001 0.000 0.310 288 V C -0.165 176.037 176.094 0.181 0.000 1.054 288 V CA -1.128 61.324 62.300 0.253 0.000 0.928 288 V CB 1.913 33.884 31.823 0.246 0.000 1.007 288 V HN 0.826 nan 8.190 nan 0.000 0.437 289 N N 2.977 121.636 118.700 -0.068 0.000 2.426 289 N HA 0.403 5.143 4.740 0.001 0.000 0.275 289 N C -0.300 175.089 175.510 -0.201 0.000 1.019 289 N CA -0.579 52.205 53.050 -0.443 0.000 0.941 289 N CB 1.302 39.357 38.487 -0.720 0.000 1.123 289 N HN 0.788 nan 8.380 nan 0.000 0.486 290 I N 5.114 125.574 120.570 -0.184 0.000 2.741 290 I HA -0.097 4.073 4.170 0.001 0.000 0.288 290 I C 1.715 177.799 176.117 -0.054 0.000 1.192 290 I CA 0.470 61.733 61.300 -0.061 0.000 1.426 290 I CB 0.376 38.349 38.000 -0.046 0.000 1.367 290 I HN 0.594 nan 8.210 nan 0.000 0.563 291 I N 2.971 123.559 120.570 0.030 0.000 4.288 291 I HA 0.609 4.779 4.170 0.001 0.000 0.331 291 I C 0.520 176.659 176.117 0.037 0.000 1.322 291 I CA -0.117 61.190 61.300 0.012 0.000 1.149 291 I CB 0.594 38.599 38.000 0.009 0.000 1.112 291 I HN 0.537 nan 8.210 nan 0.000 0.403 292 A N 1.256 124.142 122.820 0.110 0.000 2.597 292 A HA 0.758 5.078 4.320 0.001 0.000 0.292 292 A C -1.395 176.315 177.584 0.210 0.000 1.057 292 A CA -0.624 51.441 52.037 0.047 0.000 0.674 292 A CB 1.581 20.480 19.000 -0.168 0.000 1.278 292 A HN 0.204 nan 8.150 nan 0.000 0.416 293 K N 0.689 121.145 120.400 0.093 0.000 2.578 293 K HA 0.606 4.926 4.320 0.001 0.000 0.269 293 K C -1.891 174.730 176.600 0.035 0.000 0.941 293 K CA -0.525 55.839 56.287 0.128 0.000 0.847 293 K CB 1.714 34.279 32.500 0.108 0.000 1.397 293 K HN 0.743 nan 8.250 nan 0.000 0.422 294 K N 2.897 123.318 120.400 0.035 0.000 2.527 294 K HA 0.511 4.832 4.320 0.001 0.000 0.260 294 K C -1.218 175.365 176.600 -0.028 0.000 0.937 294 K CA -0.783 55.503 56.287 -0.003 0.000 0.826 294 K CB 1.999 34.496 32.500 -0.005 0.000 1.359 294 K HN 0.421 nan 8.250 nan 0.000 0.434 295 I N 1.513 122.036 120.570 -0.077 0.000 2.569 295 I HA 0.398 4.569 4.170 0.001 0.000 0.296 295 I C -0.947 175.035 176.117 -0.224 0.000 1.028 295 I CA -1.107 60.063 61.300 -0.217 0.000 1.082 295 I CB 2.207 40.101 38.000 -0.177 0.000 1.264 295 I HN 0.188 nan 8.210 nan 0.000 0.429 296 V N 5.493 125.222 119.914 -0.308 0.000 2.447 296 V HA 0.359 4.479 4.120 0.001 0.000 0.292 296 V C 0.415 176.395 176.094 -0.189 0.000 1.021 296 V CA -0.684 61.500 62.300 -0.193 0.000 0.850 296 V CB 1.301 33.044 31.823 -0.134 0.000 1.005 296 V HN 0.552 nan 8.190 nan 0.000 0.426 297 L N 2.726 123.870 121.223 -0.131 0.000 1.972 297 L HA 0.276 4.616 4.340 0.001 0.000 0.209 297 L C 1.946 178.770 176.870 -0.076 0.000 1.125 297 L CA 1.371 56.142 54.840 -0.114 0.000 0.784 297 L CB -0.676 41.337 42.059 -0.076 0.000 0.902 297 L HN 0.668 nan 8.230 nan 0.000 0.444 298 K N -1.219 119.153 120.400 -0.047 0.000 2.380 298 K HA 0.090 4.411 4.320 0.001 0.000 0.198 298 K C -1.082 175.508 176.600 -0.018 0.000 1.070 298 K CA 0.085 56.357 56.287 -0.025 0.000 1.040 298 K CB 0.604 33.093 32.500 -0.017 0.000 0.903 298 K HN 0.195 nan 8.250 nan 0.000 0.549 299 E N 0.249 120.435 120.200 -0.023 0.000 7.515 299 E HA -0.136 4.214 4.350 0.001 0.000 0.265 299 E C -1.213 175.381 176.600 -0.011 0.000 0.812 299 E CA 0.338 56.730 56.400 -0.015 0.000 1.543 299 E CB -1.625 28.071 29.700 -0.006 0.000 0.907 299 E HN 0.278 nan 8.360 nan 0.000 0.262 300 Q N 2.501 122.295 119.800 -0.010 0.000 3.021 300 Q HA 0.425 4.765 4.340 0.001 0.000 0.234 300 Q C -0.473 175.526 176.000 -0.003 0.000 0.930 300 Q CA 0.499 56.298 55.803 -0.007 0.000 0.714 300 Q CB 0.656 29.389 28.738 -0.009 0.000 1.325 300 Q HN 0.978 nan 8.270 nan 0.000 0.473 312 Q N 1.330 121.063 119.800 -0.112 0.000 2.265 312 Q HA -0.198 4.143 4.340 0.001 0.000 0.219 312 Q C 1.039 177.003 176.000 -0.059 0.000 1.031 312 Q CA 2.628 58.449 55.803 0.030 0.000 0.949 312 Q CB -0.810 27.938 28.738 0.018 0.000 1.022 312 Q HN 0.669 nan 8.270 nan 0.000 0.419 313 T N -2.979 111.366 114.554 -0.348 0.000 2.908 313 T HA 0.679 5.030 4.350 0.001 0.000 0.290 313 T C -0.511 173.722 174.700 -0.778 0.000 1.034 313 T CA -0.856 61.025 62.100 -0.366 0.000 1.010 313 T CB 1.413 70.204 68.868 -0.128 0.000 1.068 313 T HN -0.036 nan 8.240 nan 0.000 0.481 314 F N 0.525 120.390 119.950 -0.142 0.000 2.577 314 F HA 0.722 5.250 4.527 0.001 0.000 0.318 314 F C 0.048 175.651 175.800 -0.328 0.000 1.065 314 F CA -1.317 56.477 58.000 -0.343 0.000 0.929 314 F CB 2.612 41.254 39.000 -0.597 0.000 1.237 314 F HN 0.412 nan 8.300 nan 0.000 0.468 315 M N 2.579 122.064 119.600 -0.191 0.000 2.151 315 M HA 0.408 4.888 4.480 0.001 0.000 0.290 315 M C -1.872 174.365 176.300 -0.105 0.000 0.965 315 M CA -0.495 54.781 55.300 -0.041 0.000 0.930 315 M CB 1.896 34.532 32.600 0.059 0.000 1.560 315 M HN 0.463 nan 8.290 nan 0.000 0.438 316 Y N 1.684 122.085 120.300 0.169 0.000 2.377 316 Y HA 0.531 5.082 4.550 0.001 0.000 0.339 316 Y C -0.986 174.946 175.900 0.053 0.000 1.011 316 Y CA -0.693 57.498 58.100 0.152 0.000 1.093 316 Y CB 1.294 39.798 38.460 0.073 0.000 1.201 316 Y HN 0.416 nan 8.280 nan 0.000 0.455 317 Y N 2.324 122.776 120.300 0.252 0.000 2.328 317 Y HA 0.536 5.087 4.550 0.001 0.000 0.337 317 Y C 0.082 176.044 175.900 0.103 0.000 0.966 317 Y CA -1.271 56.932 58.100 0.173 0.000 1.136 317 Y CB 1.247 39.751 38.460 0.073 0.000 1.170 317 Y HN 0.427 nan 8.280 nan 0.000 0.470 318 V N 0.220 120.227 119.914 0.154 0.000 2.994 318 V HA 0.559 4.679 4.120 0.001 0.000 0.318 318 V C 0.047 176.161 176.094 0.034 0.000 1.085 318 V CA -1.119 61.230 62.300 0.083 0.000 0.998 318 V CB 2.123 33.996 31.823 0.083 0.000 1.063 318 V HN 0.786 nan 8.190 nan 0.000 0.447 319 N N 0.477 119.186 118.700 0.015 0.000 2.466 319 N HA 0.301 5.042 4.740 0.001 0.000 0.251 319 N C -0.619 174.908 175.510 0.029 0.000 1.164 319 N CA -0.083 52.947 53.050 -0.035 0.000 0.888 319 N CB -0.201 38.283 38.487 -0.006 0.000 1.177 319 N HN 0.875 nan 8.380 nan 0.000 0.498 320 D N -1.718 118.735 120.400 0.090 0.000 2.599 320 D HA 0.733 5.374 4.640 0.001 0.000 0.252 320 D C -0.647 175.806 176.300 0.255 0.000 1.232 320 D CA -0.402 53.698 54.000 0.167 0.000 0.819 320 D CB 1.984 42.898 40.800 0.190 0.000 1.401 320 D HN 0.208 nan 8.370 nan 0.000 0.429 321 G N -0.822 108.177 108.800 0.330 0.000 2.731 321 G HA2 0.366 4.327 3.960 0.001 0.000 0.309 321 G HA3 0.366 4.327 3.960 0.001 0.000 0.309 321 G C 0.722 175.820 174.900 0.331 0.000 1.273 321 G CA -0.007 45.263 45.100 0.283 0.000 0.798 321 G HN 0.789 nan 8.290 nan 0.000 0.509 322 V N -1.879 118.149 119.914 0.190 0.000 2.759 322 V HA -0.024 4.097 4.120 0.001 0.000 0.256 322 V C 1.902 178.015 176.094 0.032 0.000 1.080 322 V CA 1.816 64.164 62.300 0.080 0.000 1.101 322 V CB -1.179 30.590 31.823 -0.088 0.000 0.698 322 V HN 0.575 nan 8.190 nan 0.000 0.477 323 Y N 1.843 122.250 120.300 0.178 0.000 2.420 323 Y HA 0.411 4.961 4.550 0.001 0.000 0.292 323 Y C 2.327 178.342 175.900 0.190 0.000 1.119 323 Y CA 0.943 59.156 58.100 0.188 0.000 1.229 323 Y CB -0.466 38.158 38.460 0.273 0.000 1.026 323 Y HN 0.408 nan 8.280 nan 0.000 0.554 324 G N -1.081 107.916 108.800 0.329 0.000 3.380 324 G HA2 0.004 3.964 3.960 0.001 0.000 0.188 324 G HA3 0.004 3.964 3.960 0.001 0.000 0.188 324 G C 1.418 176.396 174.900 0.130 0.000 1.892 324 G CA 0.325 45.562 45.100 0.228 0.000 0.912 324 G HN 0.123 nan 8.290 nan 0.000 0.609 325 S N 0.351 116.072 115.700 0.034 0.000 2.419 325 S HA -0.015 4.455 4.470 0.001 0.000 0.233 325 S C 1.478 175.916 174.600 -0.269 0.000 1.016 325 S CA 0.945 59.059 58.200 -0.145 0.000 0.974 325 S CB -0.282 62.725 63.200 -0.321 0.000 0.786 325 S HN 0.316 nan 8.310 nan 0.000 0.492 326 F N 2.540 122.484 119.950 -0.010 0.000 2.664 326 F HA 0.187 4.714 4.527 0.001 0.000 0.301 326 F C 1.580 177.364 175.800 -0.028 0.000 1.126 326 F CA -0.590 57.374 58.000 -0.060 0.000 1.373 326 F CB -0.998 37.919 39.000 -0.137 0.000 1.042 326 F HN 0.244 nan 8.300 nan 0.000 0.535 327 N N 0.359 119.143 118.700 0.139 0.000 2.272 327 N HA -0.247 4.493 4.740 0.001 0.000 0.185 327 N C 1.908 177.513 175.510 0.158 0.000 1.014 327 N CA 1.511 54.653 53.050 0.153 0.000 0.870 327 N CB -0.995 37.616 38.487 0.206 0.000 0.975 327 N HN 0.391 nan 8.380 nan 0.000 0.433 328 C N 0.672 120.036 119.300 0.107 0.000 2.398 328 C HA -0.099 4.361 4.460 0.001 0.000 0.279 328 C C 2.539 177.547 174.990 0.030 0.000 1.250 328 C CA 0.331 59.398 59.018 0.081 0.000 1.786 328 C CB -1.856 25.923 27.740 0.065 0.000 2.018 328 C HN 0.701 nan 8.230 nan 0.000 0.494 329 I N -0.444 120.144 120.570 0.029 0.000 2.493 329 I HA -0.040 4.131 4.170 0.001 0.000 0.254 329 I C 2.166 178.234 176.117 -0.081 0.000 1.160 329 I CA 1.584 62.863 61.300 -0.035 0.000 1.445 329 I CB -0.444 37.540 38.000 -0.026 0.000 1.086 329 I HN 0.273 nan 8.210 nan 0.000 0.433 330 L N 0.159 121.313 121.223 -0.115 0.000 2.071 330 L HA -0.011 4.330 4.340 0.001 0.000 0.201 330 L C 2.396 179.063 176.870 -0.338 0.000 1.076 330 L CA 1.680 56.375 54.840 -0.241 0.000 0.755 330 L CB -1.131 40.697 42.059 -0.386 0.000 0.915 330 L HN 0.069 nan 8.230 nan 0.000 0.445 331 Y N -1.291 118.875 120.300 -0.223 0.000 2.448 331 Y HA -0.020 4.531 4.550 0.001 0.000 0.289 331 Y C 1.744 177.397 175.900 -0.411 0.000 1.114 331 Y CA 0.778 58.714 58.100 -0.274 0.000 1.235 331 Y CB 0.098 38.460 38.460 -0.163 0.000 1.045 331 Y HN 0.136 nan 8.280 nan 0.000 0.554 332 D N -1.623 118.668 120.400 -0.182 0.000 2.431 332 D HA 0.068 4.708 4.640 0.001 0.000 0.213 332 D C -0.524 175.668 176.300 -0.180 0.000 1.130 332 D CA 0.133 54.005 54.000 -0.214 0.000 0.834 332 D CB -0.356 40.398 40.800 -0.077 0.000 0.985 332 D HN 0.332 nan 8.370 nan 0.000 0.504 333 H N -1.552 117.473 119.070 -0.075 0.000 2.791 333 H HA -0.184 4.372 4.556 0.001 0.000 0.302 333 H C 0.087 175.224 175.328 -0.319 0.000 1.198 333 H CA 0.097 56.050 56.048 -0.157 0.000 1.145 333 H CB -1.526 28.186 29.762 -0.083 0.000 1.385 333 H HN 0.229 nan 8.280 nan 0.000 0.409 334 A N 0.893 123.612 122.820 -0.168 0.000 2.322 334 A HA 0.415 4.736 4.320 0.001 0.000 0.269 334 A C 0.136 177.484 177.584 -0.394 0.000 1.094 334 A CA -0.471 51.469 52.037 -0.162 0.000 0.807 334 A CB 0.529 19.533 19.000 0.007 0.000 1.047 334 A HN 0.491 nan 8.150 nan 0.000 0.487 335 H N 1.475 120.617 119.070 0.119 0.000 2.638 335 H HA 0.401 4.957 4.556 0.001 0.000 0.303 335 H C -0.119 175.296 175.328 0.146 0.000 1.034 335 H CA -0.386 55.728 56.048 0.109 0.000 1.225 335 H CB 0.771 30.585 29.762 0.087 0.000 1.394 335 H HN 0.572 nan 8.280 nan 0.000 0.477 336 V N 1.049 121.109 119.914 0.244 0.000 2.863 336 V HA 0.501 4.621 4.120 0.001 0.000 0.307 336 V C 0.127 176.431 176.094 0.349 0.000 1.061 336 V CA -0.866 61.633 62.300 0.332 0.000 1.024 336 V CB 1.826 33.873 31.823 0.375 0.000 1.049 336 V HN 0.606 nan 8.190 nan 0.000 0.471 337 K N 3.185 123.807 120.400 0.371 0.000 2.646 337 K HA 0.426 4.746 4.320 0.001 0.000 0.210 337 K C -2.841 173.750 176.600 -0.014 0.000 1.020 337 K CA -1.552 54.838 56.287 0.171 0.000 1.040 337 K CB 1.536 34.110 32.500 0.123 0.000 1.253 337 K HN 0.628 nan 8.250 nan 0.000 0.532 338 P HA -0.071 nan 4.420 nan 0.000 0.260 338 P C -0.849 176.233 177.300 -0.364 0.000 1.172 338 P CA -0.260 62.488 63.100 -0.586 0.000 0.760 338 P CB 0.532 32.066 31.700 -0.276 0.000 0.773 339 L N 4.891 125.849 121.223 -0.442 0.000 2.333 339 L HA 0.301 4.642 4.340 0.001 0.000 0.280 339 L C 0.013 176.766 176.870 -0.195 0.000 1.004 339 L CA -0.833 53.869 54.840 -0.229 0.000 0.820 339 L CB 1.180 43.135 42.059 -0.173 0.000 1.247 339 L HN 0.215 nan 8.230 nan 0.000 0.416 340 L N 3.513 124.661 121.223 -0.126 0.000 2.426 340 L HA 0.112 4.453 4.340 0.001 0.000 0.271 340 L C 1.068 177.906 176.870 -0.054 0.000 1.169 340 L CA 0.398 55.183 54.840 -0.093 0.000 0.836 340 L CB 0.984 42.993 42.059 -0.084 0.000 1.112 340 L HN 0.849 nan 8.230 nan 0.000 0.465 341 Q N 1.399 121.184 119.800 -0.024 0.000 2.431 341 Q HA 0.094 4.435 4.340 0.001 0.000 0.244 341 Q C 0.368 176.376 176.000 0.013 0.000 0.880 341 Q CA 0.145 55.945 55.803 -0.005 0.000 0.954 341 Q CB -0.010 28.729 28.738 0.003 0.000 1.105 341 Q HN 0.284 nan 8.270 nan 0.000 0.558 342 K N 2.413 122.831 120.400 0.031 0.000 2.402 342 K HA 0.056 4.376 4.320 0.001 0.000 0.279 342 K C -0.687 175.925 176.600 0.019 0.000 1.082 342 K CA 0.123 56.431 56.287 0.036 0.000 1.080 342 K CB 0.365 32.892 32.500 0.045 0.000 0.899 342 K HN 0.225 nan 8.250 nan 0.000 0.469 343 R N 5.333 125.845 120.500 0.020 0.000 2.389 343 R HA 0.160 4.501 4.340 0.001 0.000 0.295 343 R C -1.782 174.532 176.300 0.024 0.000 1.075 343 R CA -1.715 54.395 56.100 0.017 0.000 1.005 343 R CB -0.070 30.238 30.300 0.013 0.000 0.987 343 R HN 0.504 nan 8.270 nan 0.000 0.452 344 P HA -0.086 nan 4.420 nan 0.000 0.279 344 P C -0.782 176.548 177.300 0.049 0.000 1.278 344 P CA 0.191 63.318 63.100 0.046 0.000 0.846 344 P CB 0.426 32.167 31.700 0.068 0.000 1.218 345 K N -0.123 120.318 120.400 0.069 0.000 2.426 345 K HA 0.380 4.701 4.320 0.001 0.000 0.254 345 K C -2.514 174.132 176.600 0.075 0.000 0.936 345 K CA -1.892 54.433 56.287 0.064 0.000 0.801 345 K CB 0.445 32.983 32.500 0.064 0.000 1.139 345 K HN 0.160 nan 8.250 nan 0.000 0.424 346 P HA -0.105 nan 4.420 nan 0.000 0.242 346 P C -0.893 176.435 177.300 0.047 0.000 1.116 346 P CA 0.721 63.847 63.100 0.043 0.000 0.954 346 P CB -0.247 31.470 31.700 0.029 0.000 0.908 347 D N 1.508 121.938 120.400 0.051 0.000 2.897 347 D HA -0.161 4.480 4.640 0.001 0.000 0.250 347 D C 0.468 176.810 176.300 0.069 0.000 1.086 347 D CA 0.677 54.693 54.000 0.027 0.000 0.799 347 D CB -1.091 39.711 40.800 0.003 0.000 1.043 347 D HN 0.529 nan 8.370 nan 0.000 0.427 348 E N 1.056 121.353 120.200 0.162 0.000 2.474 348 E HA 0.052 4.402 4.350 0.001 0.000 0.195 348 E C 0.042 176.755 176.600 0.188 0.000 1.039 348 E CA -0.148 56.358 56.400 0.177 0.000 0.881 348 E CB 0.249 30.069 29.700 0.199 0.000 0.970 348 E HN 0.351 nan 8.360 nan 0.000 0.486 349 R N 0.065 120.680 120.500 0.192 0.000 1.317 349 R HA -0.164 4.176 4.340 0.001 0.000 0.418 349 R C -2.308 174.086 176.300 0.156 0.000 1.296 349 R CA 0.285 56.444 56.100 0.099 0.000 0.915 349 R CB -1.904 28.415 30.300 0.032 0.000 2.946 349 R HN 0.080 nan 8.270 nan 0.000 0.503 350 Y N 4.720 124.872 120.300 -0.246 0.000 2.549 350 Y HA 0.670 5.220 4.550 0.001 0.000 0.339 350 Y C -0.100 175.605 175.900 -0.324 0.000 1.053 350 Y CA -0.866 57.147 58.100 -0.145 0.000 1.105 350 Y CB 1.553 39.996 38.460 -0.028 0.000 1.258 350 Y HN 0.447 nan 8.280 nan 0.000 0.478 351 Y N -0.746 119.707 120.300 0.255 0.000 2.492 351 Y HA 0.367 4.917 4.550 0.001 0.000 0.346 351 Y C 0.076 176.107 175.900 0.219 0.000 0.997 351 Y CA -1.138 57.113 58.100 0.252 0.000 1.025 351 Y CB 2.209 40.912 38.460 0.406 0.000 1.263 351 Y HN 0.479 nan 8.280 nan 0.000 0.454 352 S N 1.688 117.579 115.700 0.318 0.000 2.549 352 S HA 0.518 4.988 4.470 0.001 0.000 0.283 352 S C -0.342 174.398 174.600 0.234 0.000 1.320 352 S CA 0.199 58.529 58.200 0.217 0.000 1.058 352 S CB 0.152 63.434 63.200 0.137 0.000 0.882 352 S HN 0.615 nan 8.310 nan 0.000 0.498 353 S N 1.852 117.671 115.700 0.199 0.000 2.533 353 S HA 0.608 5.079 4.470 0.001 0.000 0.271 353 S C -1.233 173.465 174.600 0.164 0.000 1.143 353 S CA -0.733 57.611 58.200 0.239 0.000 0.891 353 S CB 1.774 65.168 63.200 0.323 0.000 1.105 353 S HN 0.967 nan 8.310 nan 0.000 0.468 354 S N 2.992 118.788 115.700 0.160 0.000 2.536 354 S HA 0.851 5.322 4.470 0.001 0.000 0.298 354 S C -0.949 173.679 174.600 0.047 0.000 1.083 354 S CA -0.733 57.501 58.200 0.057 0.000 0.995 354 S CB 0.888 64.165 63.200 0.128 0.000 1.058 354 S HN 0.599 nan 8.310 nan 0.000 0.488 355 I N 1.570 122.019 120.570 -0.202 0.000 2.498 355 I HA 0.550 4.721 4.170 0.001 0.000 0.290 355 I C -1.451 174.364 176.117 -0.505 0.000 1.032 355 I CA -0.588 60.615 61.300 -0.161 0.000 1.073 355 I CB 1.660 39.617 38.000 -0.072 0.000 1.251 355 I HN 0.668 nan 8.210 nan 0.000 0.426 356 W N 3.061 124.197 121.300 -0.274 0.000 2.864 356 W HA 0.700 5.361 4.660 0.001 0.000 0.343 356 W C 0.504 176.908 176.519 -0.190 0.000 1.109 356 W CA -0.429 56.737 57.345 -0.299 0.000 1.192 356 W CB 1.724 30.850 29.460 -0.556 0.000 1.426 356 W HN 0.518 nan 8.180 nan 0.000 0.529 357 G N 1.354 110.222 108.800 0.114 0.000 2.563 357 G HA2 0.418 4.378 3.960 0.001 0.000 0.283 357 G HA3 0.418 4.378 3.960 0.001 0.000 0.283 357 G C -1.917 173.054 174.900 0.118 0.000 1.309 357 G CA -0.956 44.198 45.100 0.090 0.000 1.022 357 G HN 0.294 nan 8.290 nan 0.000 0.501 358 P HA 0.076 nan 4.420 nan 0.000 0.239 358 P C 1.131 178.350 177.300 -0.135 0.000 1.188 358 P CA 0.448 63.386 63.100 -0.269 0.000 0.794 358 P CB -0.092 31.013 31.700 -0.993 0.000 0.937 359 T N -1.827 112.791 114.554 0.106 0.000 2.903 359 T HA 0.013 4.364 4.350 0.001 0.000 0.314 359 T C 0.973 175.841 174.700 0.280 0.000 1.078 359 T CA -0.313 61.987 62.100 0.334 0.000 1.114 359 T CB -0.291 68.817 68.868 0.400 0.000 0.987 359 T HN 0.020 nan 8.240 nan 0.000 0.548 360 C N 2.534 121.972 119.300 0.231 0.000 2.473 360 C HA 0.101 4.562 4.460 0.001 0.000 0.357 360 C C 0.838 175.947 174.990 0.198 0.000 1.448 360 C CA 0.237 59.354 59.018 0.165 0.000 1.468 360 C CB -2.594 25.192 27.740 0.076 0.000 1.537 360 C HN 0.867 nan 8.230 nan 0.000 0.608 361 D N -0.872 119.691 120.400 0.271 0.000 2.863 361 D HA 0.278 4.918 4.640 0.001 0.000 0.245 361 D C 0.852 177.323 176.300 0.284 0.000 1.211 361 D CA -0.165 54.021 54.000 0.310 0.000 0.888 361 D CB 1.608 42.697 40.800 0.482 0.000 1.483 361 D HN 0.197 nan 8.370 nan 0.000 0.533 362 G N 2.024 110.957 108.800 0.223 0.000 2.679 362 G HA2 0.019 3.980 3.960 0.001 0.000 0.212 362 G HA3 0.019 3.980 3.960 0.001 0.000 0.212 362 G C 1.342 176.419 174.900 0.295 0.000 1.137 362 G CA 1.050 46.282 45.100 0.220 0.000 0.787 362 G HN 0.550 nan 8.290 nan 0.000 0.534 363 L N -0.249 121.118 121.223 0.240 0.000 2.585 363 L HA 0.407 4.748 4.340 0.001 0.000 0.226 363 L C 1.225 178.182 176.870 0.145 0.000 1.113 363 L CA 0.895 55.836 54.840 0.168 0.000 0.876 363 L CB -0.404 41.708 42.059 0.087 0.000 1.072 363 L HN 0.179 nan 8.230 nan 0.000 0.468 364 D N 1.279 121.830 120.400 0.251 0.000 2.498 364 D HA 0.201 4.842 4.640 0.001 0.000 0.229 364 D C 0.231 176.660 176.300 0.215 0.000 1.188 364 D CA 0.115 54.250 54.000 0.225 0.000 1.028 364 D CB -0.255 40.765 40.800 0.367 0.000 1.087 364 D HN 0.575 nan 8.370 nan 0.000 0.510 365 R N 3.349 123.810 120.500 -0.064 0.000 2.621 365 R HA 0.415 4.756 4.340 0.001 0.000 0.292 365 R C 0.501 176.540 176.300 -0.435 0.000 0.969 365 R CA -0.668 55.140 56.100 -0.486 0.000 0.887 365 R CB 1.008 30.744 30.300 -0.940 0.000 1.180 365 R HN 0.258 nan 8.270 nan 0.000 0.450 366 I N 2.452 122.710 120.570 -0.520 0.000 2.810 366 I HA 0.119 4.289 4.170 0.001 0.000 0.262 366 I C -0.169 175.723 176.117 -0.374 0.000 1.131 366 I CA 0.348 61.348 61.300 -0.500 0.000 1.453 366 I CB 0.929 38.476 38.000 -0.754 0.000 1.161 366 I HN 0.206 nan 8.210 nan 0.000 0.444 367 V N 0.866 120.560 119.914 -0.367 0.000 2.524 367 V HA 0.121 4.241 4.120 0.001 0.000 0.297 367 V C 0.665 176.602 176.094 -0.262 0.000 1.035 367 V CA -0.576 61.598 62.300 -0.211 0.000 0.867 367 V CB 1.910 33.679 31.823 -0.090 0.000 1.004 367 V HN 0.148 nan 8.190 nan 0.000 0.426 368 E N 3.749 123.829 120.200 -0.200 0.000 2.106 368 E HA 0.027 4.378 4.350 0.001 0.000 0.192 368 E C 0.897 177.446 176.600 -0.085 0.000 0.984 368 E CA 0.722 57.013 56.400 -0.182 0.000 0.806 368 E CB 0.365 29.999 29.700 -0.111 0.000 0.750 368 E HN 0.481 nan 8.360 nan 0.000 0.458 369 R N 0.281 120.760 120.500 -0.035 0.000 2.631 369 R HA 0.207 4.548 4.340 0.001 0.000 0.289 369 R C -1.259 175.065 176.300 0.040 0.000 1.303 369 R CA -0.472 55.639 56.100 0.018 0.000 0.989 369 R CB 0.731 31.047 30.300 0.027 0.000 1.208 369 R HN 0.217 nan 8.270 nan 0.000 0.461 370 C N -0.110 119.230 119.300 0.067 0.000 2.407 370 C HA 0.634 5.094 4.460 0.001 0.000 0.366 370 C C -0.181 174.888 174.990 0.131 0.000 1.213 370 C CA -1.032 58.039 59.018 0.088 0.000 2.011 370 C CB 1.365 29.151 27.740 0.076 0.000 2.306 370 C HN 0.576 nan 8.230 nan 0.000 0.527 371 D N 1.703 122.190 120.400 0.146 0.000 2.359 371 D HA 0.647 5.287 4.640 0.001 0.000 0.230 371 D C -0.316 176.108 176.300 0.207 0.000 1.118 371 D CA 0.371 54.497 54.000 0.211 0.000 0.844 371 D CB 0.934 41.868 40.800 0.224 0.000 1.059 371 D HN 0.516 nan 8.370 nan 0.000 0.493 372 L N 3.096 124.393 121.223 0.122 0.000 2.309 372 L HA 0.515 4.856 4.340 0.001 0.000 0.261 372 L C -2.399 174.324 176.870 -0.245 0.000 1.021 372 L CA -2.270 52.472 54.840 -0.164 0.000 0.823 372 L CB 2.762 44.776 42.059 -0.074 0.000 1.366 372 L HN 0.050 nan 8.230 nan 0.000 0.423 373 P HA 0.045 nan 4.420 nan 0.000 0.280 373 P C -0.779 176.476 177.300 -0.075 0.000 1.244 373 P CA -0.307 62.649 63.100 -0.240 0.000 0.784 373 P CB 0.760 32.235 31.700 -0.374 0.000 0.913 374 E N 3.731 123.944 120.200 0.021 0.000 2.966 374 E HA -0.085 4.266 4.350 0.001 0.000 0.254 374 E C -0.622 175.715 176.600 -0.438 0.000 0.923 374 E CA 0.655 56.727 56.400 -0.546 0.000 0.960 374 E CB 0.047 29.319 29.700 -0.714 0.000 0.901 374 E HN 0.344 nan 8.360 nan 0.000 0.525 375 M N 3.043 122.352 119.600 -0.485 0.000 2.796 375 M HA 0.431 4.912 4.480 0.001 0.000 0.303 375 M C -0.579 175.383 176.300 -0.564 0.000 1.240 375 M CA -0.902 54.121 55.300 -0.462 0.000 0.831 375 M CB 2.170 34.447 32.600 -0.539 0.000 1.750 375 M HN 0.507 nan 8.290 nan 0.000 0.484 376 H N -0.143 118.883 119.070 -0.073 0.000 2.679 376 H HA 0.330 4.886 4.556 0.001 0.000 0.360 376 H C -1.013 174.299 175.328 -0.027 0.000 1.105 376 H CA -0.735 55.298 56.048 -0.024 0.000 1.196 376 H CB 1.872 31.610 29.762 -0.040 0.000 1.636 376 H HN 0.357 nan 8.280 nan 0.000 0.531 377 V N 1.915 121.893 119.914 0.107 0.000 2.839 377 V HA -0.087 4.034 4.120 0.001 0.000 0.296 377 V C 1.466 177.557 176.094 -0.006 0.000 1.239 377 V CA 2.246 64.571 62.300 0.042 0.000 1.349 377 V CB 0.185 32.029 31.823 0.035 0.000 0.852 377 V HN 1.243 nan 8.190 nan 0.000 0.504 378 G N 3.370 112.108 108.800 -0.104 0.000 2.213 378 G HA2 -0.169 3.792 3.960 0.001 0.000 0.226 378 G HA3 -0.169 3.792 3.960 0.001 0.000 0.226 378 G C -0.094 174.650 174.900 -0.260 0.000 0.992 378 G CA 0.050 45.044 45.100 -0.176 0.000 0.632 378 G HN 0.695 nan 8.290 nan 0.000 0.511 379 D N -0.213 120.084 120.400 -0.172 0.000 2.344 379 D HA 0.513 5.154 4.640 0.001 0.000 0.244 379 D C 0.131 176.284 176.300 -0.245 0.000 1.134 379 D CA 0.148 54.070 54.000 -0.129 0.000 0.930 379 D CB 0.434 41.199 40.800 -0.060 0.000 1.175 379 D HN 0.313 nan 8.370 nan 0.000 0.437 380 W N 0.758 122.049 121.300 -0.016 0.000 2.551 380 W HA 0.501 5.161 4.660 0.001 0.000 0.330 380 W C 0.225 176.701 176.519 -0.071 0.000 1.063 380 W CA -0.772 56.562 57.345 -0.019 0.000 1.222 380 W CB 1.048 30.512 29.460 0.006 0.000 1.349 380 W HN -0.047 nan 8.180 nan 0.000 0.536 381 M N 3.460 123.158 119.600 0.163 0.000 2.465 381 M HA 0.577 5.058 4.480 0.001 0.000 0.316 381 M C -1.443 174.847 176.300 -0.016 0.000 1.121 381 M CA -0.655 54.642 55.300 -0.004 0.000 0.934 381 M CB 1.431 34.001 32.600 -0.051 0.000 1.692 381 M HN 0.324 nan 8.290 nan 0.000 0.444 382 L N 3.708 124.803 121.223 -0.215 0.000 2.346 382 L HA 0.584 4.925 4.340 0.001 0.000 0.276 382 L C -1.573 175.056 176.870 -0.401 0.000 1.006 382 L CA -0.533 54.205 54.840 -0.170 0.000 0.817 382 L CB 1.926 43.918 42.059 -0.111 0.000 1.272 382 L HN 0.631 nan 8.230 nan 0.000 0.421 383 F N 0.941 120.908 119.950 0.028 0.000 2.513 383 F HA 0.364 4.891 4.527 0.001 0.000 0.358 383 F C 0.495 176.331 175.800 0.060 0.000 1.118 383 F CA -0.568 57.477 58.000 0.075 0.000 1.037 383 F CB 1.449 40.539 39.000 0.150 0.000 1.276 383 F HN 0.456 nan 8.300 nan 0.000 0.446 384 E N 1.301 121.605 120.200 0.174 0.000 2.376 384 E HA 0.196 4.547 4.350 0.001 0.000 0.254 384 E C -0.166 176.545 176.600 0.185 0.000 1.213 384 E CA -0.527 55.964 56.400 0.152 0.000 0.945 384 E CB 0.290 30.048 29.700 0.098 0.000 1.057 384 E HN 0.582 nan 8.360 nan 0.000 0.479 385 N N 0.445 119.245 118.700 0.167 0.000 2.714 385 N HA -0.186 4.555 4.740 0.001 0.000 0.253 385 N C -0.443 175.169 175.510 0.170 0.000 1.024 385 N CA -0.045 53.101 53.050 0.159 0.000 0.726 385 N CB -0.272 38.299 38.487 0.140 0.000 0.908 385 N HN 0.313 nan 8.380 nan 0.000 0.542 386 M N -0.681 119.046 119.600 0.211 0.000 2.685 386 M HA 0.191 4.672 4.480 0.001 0.000 0.355 386 M C 1.656 178.000 176.300 0.074 0.000 1.197 386 M CA 0.256 55.660 55.300 0.173 0.000 0.947 386 M CB 0.350 33.095 32.600 0.242 0.000 1.346 386 M HN 0.381 nan 8.290 nan 0.000 0.516 387 G N 0.380 109.187 108.800 0.013 0.000 2.712 387 G HA2 0.287 4.248 3.960 0.001 0.000 0.212 387 G HA3 0.287 4.248 3.960 0.001 0.000 0.212 387 G C 0.463 175.121 174.900 -0.403 0.000 1.142 387 G CA 0.248 45.122 45.100 -0.377 0.000 0.789 387 G HN 0.478 nan 8.290 nan 0.000 0.535 388 A N -0.494 122.212 122.820 -0.189 0.000 2.318 388 A HA 0.632 4.952 4.320 0.001 0.000 0.317 388 A C -0.265 177.236 177.584 -0.137 0.000 1.159 388 A CA -0.816 51.081 52.037 -0.233 0.000 0.799 388 A CB 0.414 19.393 19.000 -0.036 0.000 1.194 388 A HN 0.676 nan 8.150 nan 0.000 0.479 389 Y N 1.065 121.311 120.300 -0.089 0.000 3.689 389 Y HA -0.316 4.234 4.550 0.001 0.000 0.221 389 Y C 1.437 177.280 175.900 -0.094 0.000 1.247 389 Y CA 1.223 59.273 58.100 -0.083 0.000 1.671 389 Y CB -2.525 35.909 38.460 -0.044 0.000 1.521 389 Y HN 0.924 nan 8.280 nan 0.000 0.632 390 T N -5.232 109.270 114.554 -0.086 0.000 3.463 390 T HA 0.146 4.497 4.350 0.001 0.000 0.203 390 T C 1.647 176.289 174.700 -0.098 0.000 0.955 390 T CA 0.602 62.650 62.100 -0.087 0.000 1.230 390 T CB -0.870 67.927 68.868 -0.118 0.000 1.392 390 T HN 0.344 nan 8.240 nan 0.000 0.361 391 V N 1.928 121.734 119.914 -0.181 0.000 2.332 391 V HA 0.012 4.133 4.120 0.001 0.000 0.248 391 V C 2.900 178.929 176.094 -0.108 0.000 1.055 391 V CA 1.883 64.097 62.300 -0.143 0.000 1.038 391 V CB -1.965 29.706 31.823 -0.253 0.000 0.651 391 V HN 0.690 nan 8.190 nan 0.000 0.450 392 A N 0.503 123.235 122.820 -0.147 0.000 2.019 392 A HA 0.259 4.580 4.320 0.001 0.000 0.219 392 A C 2.151 179.686 177.584 -0.080 0.000 1.164 392 A CA 1.942 53.909 52.037 -0.117 0.000 0.644 392 A CB -0.670 18.241 19.000 -0.147 0.000 0.805 392 A HN 1.200 nan 8.150 nan 0.000 0.449 393 A N -1.345 121.430 122.820 -0.074 0.000 2.535 393 A HA 0.689 5.009 4.320 0.001 0.000 0.273 393 A C 0.844 178.407 177.584 -0.034 0.000 1.267 393 A CA 0.480 52.457 52.037 -0.100 0.000 0.940 393 A CB -0.565 18.324 19.000 -0.184 0.000 1.101 393 A HN 0.830 nan 8.150 nan 0.000 0.521 394 A N 0.706 123.531 122.820 0.008 0.000 2.340 394 A HA 0.651 4.971 4.320 0.001 0.000 0.268 394 A C 0.728 178.377 177.584 0.108 0.000 1.100 394 A CA 0.376 52.459 52.037 0.076 0.000 0.803 394 A CB 0.257 19.306 19.000 0.082 0.000 1.043 394 A HN 1.024 nan 8.150 nan 0.000 0.488 395 S N -0.204 115.603 115.700 0.178 0.000 2.798 395 S HA 0.657 5.128 4.470 0.001 0.000 0.312 395 S C 0.352 175.083 174.600 0.219 0.000 1.122 395 S CA 0.197 58.507 58.200 0.184 0.000 0.949 395 S CB 1.189 64.518 63.200 0.215 0.000 1.235 395 S HN 1.269 nan 8.310 nan 0.000 0.552 396 T N -1.473 113.195 114.554 0.190 0.000 3.258 396 T HA 0.313 4.664 4.350 0.001 0.000 0.263 396 T C -0.073 174.722 174.700 0.158 0.000 0.983 396 T CA -0.527 61.676 62.100 0.171 0.000 0.907 396 T CB -1.053 67.876 68.868 0.102 0.000 1.096 396 T HN 0.471 nan 8.240 nan 0.000 0.556 397 F N 3.184 123.153 119.950 0.032 0.000 2.623 397 F HA 0.034 4.562 4.527 0.001 0.000 0.381 397 F C 1.177 176.917 175.800 -0.099 0.000 1.081 397 F CA 0.724 58.665 58.000 -0.098 0.000 1.293 397 F CB -0.421 38.383 39.000 -0.326 0.000 1.006 397 F HN 0.667 nan 8.300 nan 0.000 0.578 398 N N 2.552 120.746 118.700 -0.844 0.000 2.878 398 N HA -0.209 4.532 4.740 0.001 0.000 0.247 398 N C 0.852 175.980 175.510 -0.636 0.000 1.021 398 N CA 0.552 53.125 53.050 -0.794 0.000 0.873 398 N CB -1.351 36.728 38.487 -0.681 0.000 1.128 398 N HN 1.395 nan 8.380 nan 0.000 0.571 399 G N -1.155 107.396 108.800 -0.415 0.000 2.179 399 G HA2 -0.330 3.631 3.960 0.001 0.000 0.260 399 G HA3 -0.330 3.631 3.960 0.001 0.000 0.260 399 G C 0.063 174.781 174.900 -0.304 0.000 0.977 399 G CA 0.416 45.309 45.100 -0.346 0.000 0.641 399 G HN 0.387 nan 8.290 nan 0.000 0.533 400 F N 1.837 121.779 119.950 -0.013 0.000 2.438 400 F HA 0.484 5.012 4.527 0.001 0.000 0.356 400 F C 1.010 176.855 175.800 0.074 0.000 1.099 400 F CA -0.581 57.443 58.000 0.041 0.000 1.185 400 F CB 0.920 39.962 39.000 0.069 0.000 1.115 400 F HN -0.016 nan 8.300 nan 0.000 0.526 401 Q N 3.164 123.132 119.800 0.280 0.000 2.260 401 Q HA 0.376 4.717 4.340 0.001 0.000 0.238 401 Q C -0.156 175.960 176.000 0.194 0.000 0.948 401 Q CA -0.667 55.248 55.803 0.188 0.000 0.895 401 Q CB 1.220 30.048 28.738 0.151 0.000 1.218 401 Q HN 0.616 nan 8.270 nan 0.000 0.470 402 R N 1.401 121.999 120.500 0.162 0.000 2.490 402 R HA 0.295 4.636 4.340 0.001 0.000 0.280 402 R C -2.014 174.399 176.300 0.188 0.000 1.077 402 R CA -1.515 54.688 56.100 0.172 0.000 1.065 402 R CB -0.536 29.850 30.300 0.143 0.000 1.003 402 R HN 0.294 nan 8.270 nan 0.000 0.470 403 P HA -0.078 nan 4.420 nan 0.000 0.262 403 P C -0.218 177.244 177.300 0.270 0.000 1.182 403 P CA 0.200 63.455 63.100 0.257 0.000 0.761 403 P CB 0.560 32.399 31.700 0.232 0.000 0.795 404 T N 3.422 118.106 114.554 0.218 0.000 2.919 404 T HA 0.308 4.659 4.350 0.001 0.000 0.302 404 T C 0.042 174.770 174.700 0.048 0.000 1.031 404 T CA -0.260 61.886 62.100 0.075 0.000 1.127 404 T CB -0.250 68.616 68.868 -0.004 0.000 0.952 404 T HN 0.141 nan 8.240 nan 0.000 0.540 405 I N 4.418 124.927 120.570 -0.101 0.000 2.412 405 I HA 0.330 4.501 4.170 0.001 0.000 0.296 405 I C -0.953 174.878 176.117 -0.477 0.000 0.987 405 I CA -0.937 60.257 61.300 -0.176 0.000 1.180 405 I CB 1.413 39.222 38.000 -0.319 0.000 1.340 405 I HN 0.616 nan 8.210 nan 0.000 0.455 406 Y N 5.350 125.544 120.300 -0.176 0.000 2.342 406 Y HA 0.378 4.928 4.550 0.001 0.000 0.338 406 Y C -0.571 175.182 175.900 -0.245 0.000 0.965 406 Y CA -0.411 57.617 58.100 -0.119 0.000 1.159 406 Y CB 0.719 39.180 38.460 0.001 0.000 1.157 406 Y HN 0.350 nan 8.280 nan 0.000 0.486 407 Y N 3.000 123.372 120.300 0.120 0.000 2.316 407 Y HA 0.458 5.009 4.550 0.001 0.000 0.331 407 Y C 0.272 176.225 175.900 0.088 0.000 1.083 407 Y CA -0.792 57.332 58.100 0.040 0.000 1.206 407 Y CB 1.015 39.498 38.460 0.038 0.000 1.195 407 Y HN 0.383 nan 8.280 nan 0.000 0.497 408 V N 2.498 122.534 119.914 0.204 0.000 2.864 408 V HA 0.748 4.869 4.120 0.001 0.000 0.314 408 V C -0.690 175.533 176.094 0.215 0.000 1.073 408 V CA -1.062 61.352 62.300 0.190 0.000 0.956 408 V CB 2.095 34.011 31.823 0.155 0.000 1.023 408 V HN 0.878 nan 8.190 nan 0.000 0.435 409 M N 3.739 123.507 119.600 0.280 0.000 2.371 409 M HA 0.578 5.059 4.480 0.001 0.000 0.287 409 M C -0.122 176.387 176.300 0.350 0.000 1.149 409 M CA -0.289 55.213 55.300 0.336 0.000 0.929 409 M CB 2.430 35.302 32.600 0.453 0.000 1.683 409 M HN 1.186 nan 8.290 nan 0.000 0.470 410 S N 2.345 118.191 115.700 0.244 0.000 2.593 410 S HA 0.371 4.842 4.470 0.001 0.000 0.269 410 S C 0.993 175.681 174.600 0.146 0.000 1.334 410 S CA 0.013 58.325 58.200 0.186 0.000 1.015 410 S CB 1.149 64.434 63.200 0.142 0.000 0.912 410 S HN 0.945 nan 8.310 nan 0.000 0.541 411 G N 1.361 110.201 108.800 0.067 0.000 2.418 411 G HA2 -0.040 3.920 3.960 0.001 0.000 0.217 411 G HA3 -0.040 3.920 3.960 0.001 0.000 0.217 411 G C -1.013 173.941 174.900 0.090 0.000 1.158 411 G CA 0.573 45.665 45.100 -0.012 0.000 0.771 411 G HN 0.667 nan 8.290 nan 0.000 0.545 412 P HA -0.004 nan 4.420 nan 0.000 0.216 412 P C 2.185 179.550 177.300 0.108 0.000 1.153 412 P CA 1.851 65.005 63.100 0.090 0.000 0.848 412 P CB -0.158 31.586 31.700 0.074 0.000 0.787 413 A N -1.268 121.633 122.820 0.134 0.000 1.908 413 A HA -0.194 4.127 4.320 0.001 0.000 0.218 413 A C 2.216 179.908 177.584 0.180 0.000 1.181 413 A CA 1.486 53.615 52.037 0.154 0.000 0.627 413 A CB -1.981 17.119 19.000 0.167 0.000 0.818 413 A HN 0.252 nan 8.150 nan 0.000 0.445 414 W N 0.727 122.027 121.300 -0.000 0.000 2.363 414 W HA -0.174 4.486 4.660 0.000 0.000 0.296 414 W C 2.278 178.777 176.519 -0.033 0.000 1.212 414 W CA 1.911 59.233 57.345 -0.038 0.000 1.260 414 W CB 0.057 29.382 29.460 -0.225 0.000 1.131 414 W HN 0.371 nan 8.180 nan 0.000 0.530 415 Q N -0.102 119.739 119.800 0.069 0.000 2.123 415 Q HA -0.163 4.177 4.340 0.001 0.000 0.199 415 Q C 2.223 178.143 176.000 -0.134 0.000 0.966 415 Q CA 1.351 57.095 55.803 -0.099 0.000 0.845 415 Q CB -1.175 27.575 28.738 0.020 0.000 0.907 415 Q HN 0.416 nan 8.270 nan 0.000 0.439 416 L N 0.768 121.966 121.223 -0.040 0.000 2.043 416 L HA -0.178 4.163 4.340 0.001 0.000 0.212 416 L C 2.364 179.238 176.870 0.008 0.000 1.075 416 L CA 1.691 56.514 54.840 -0.028 0.000 0.752 416 L CB -0.488 41.620 42.059 0.081 0.000 0.891 416 L HN 0.197 nan 8.230 nan 0.000 0.432 417 M N -1.497 118.102 119.600 -0.001 0.000 2.086 417 M HA -0.234 4.246 4.480 0.001 0.000 0.261 417 M C 2.165 178.392 176.300 -0.122 0.000 1.067 417 M CA 1.636 56.941 55.300 0.009 0.000 1.116 417 M CB -0.174 32.366 32.600 -0.100 0.000 1.348 417 M HN 0.332 nan 8.290 nan 0.000 0.407 418 Q N 0.430 120.007 119.800 -0.371 0.000 2.135 418 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 418 Q C 1.844 177.722 176.000 -0.204 0.000 0.981 418 Q CA 1.851 57.434 55.803 -0.366 0.000 0.856 418 Q CB -0.746 27.671 28.738 -0.535 0.000 0.902 418 Q HN 0.697 nan 8.270 nan 0.000 0.425 419 Q N -0.690 118.990 119.800 -0.200 0.000 2.167 419 Q HA -0.053 4.288 4.340 0.001 0.000 0.202 419 Q C 1.901 177.764 176.000 -0.228 0.000 0.970 419 Q CA 0.881 56.554 55.803 -0.216 0.000 0.855 419 Q CB -0.121 28.459 28.738 -0.263 0.000 0.911 419 Q HN 0.346 nan 8.270 nan 0.000 0.438 420 F N 1.113 121.031 119.950 -0.053 0.000 2.146 420 F HA -0.137 4.391 4.527 0.002 0.000 0.298 420 F C 1.307 177.072 175.800 -0.058 0.000 1.096 420 F CA 0.230 58.212 58.000 -0.030 0.000 1.275 420 F CB -0.126 38.861 39.000 -0.022 0.000 1.008 420 F HN 0.091 nan 8.300 nan 0.000 0.480 421 Q N 1.871 121.718 119.800 0.079 0.000 2.398 421 Q HA -0.203 4.138 4.340 0.001 0.000 0.329 421 Q C -0.440 175.571 176.000 0.018 0.000 1.079 421 Q CA 0.459 56.264 55.803 0.004 0.000 1.041 421 Q CB 0.003 28.693 28.738 -0.079 0.000 1.084 421 Q HN 0.264 nan 8.270 nan 0.000 0.386 422 N N 5.565 124.278 118.700 0.023 0.000 2.752 422 N HA 0.299 5.040 4.740 0.001 0.000 0.260 422 N C -2.450 173.078 175.510 0.030 0.000 1.562 422 N CA -1.471 51.606 53.050 0.046 0.000 0.788 422 N CB 0.955 39.468 38.487 0.043 0.000 1.192 422 N HN 0.429 nan 8.380 nan 0.000 0.503 423 P HA 0.046 nan 4.420 nan 0.000 0.198 423 P C -0.940 176.398 177.300 0.064 0.000 1.020 423 P CA 0.903 64.024 63.100 0.035 0.000 0.835 423 P CB 0.063 31.776 31.700 0.022 0.000 0.659 424 D N -1.763 118.678 120.400 0.068 0.000 3.241 424 D HA -0.161 4.479 4.640 0.001 0.000 0.248 424 D C -0.186 176.250 176.300 0.226 0.000 1.093 424 D CA 0.707 54.769 54.000 0.103 0.000 0.940 424 D CB -1.386 39.480 40.800 0.110 0.000 0.980 424 D HN 0.368 nan 8.370 nan 0.000 0.421 425 F N -0.726 119.236 119.950 0.020 0.000 1.811 425 F HA 0.054 4.582 4.527 0.001 0.000 0.239 425 F C -1.110 174.702 175.800 0.020 0.000 1.269 425 F CA 0.268 58.281 58.000 0.023 0.000 1.239 425 F CB -0.842 38.177 39.000 0.031 0.000 2.058 425 F HN 0.116 nan 8.300 nan 0.000 0.113 426 P HA -0.235 nan 4.420 nan 0.000 0.245 426 P C -2.055 175.531 177.300 0.476 0.000 0.756 426 P CA 1.935 65.293 63.100 0.430 0.000 1.075 426 P CB -1.812 29.999 31.700 0.185 0.000 0.774 427 P HA 0.000 nan 4.420 nan 0.000 0.216 427 P CA 0.000 63.205 63.100 0.175 0.000 0.800 427 P CB 0.000 31.749 31.700 0.081 0.000 0.726