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 1ffu_1_E DATA FIRST_RESID 7 DATA SEQUENCE DAEARELALA GMGASRLRKE DARFIQGKGN YVDDIKMPGM LHMDIVRAPI DATA SEQUENCE AHGRIKKIHK DAALAMPGVH AVLTAEDLKP LKLHWMPTLA GDVAAVLADE DATA SEQUENCE KVHFQMQEVA IVIADDRYIA ADAVEAVKVE YDELPVVIDP IDALKPDAPV DATA SEQUENCE LREDLAGKTS GAHGPREHHN HIFTWGAGDK AATDAVFANA PVTVSQHMYY DATA SEQUENCE PRVHPCPLET CGCVASFDPI KGDLTTYITS QAPHVVRTVV SMLSGIPESK DATA SEQUENCE VRIVSPDIGG GFGNKVGIYP GYVCAIVASI VLGRPVKWVE DRVENISTTA DATA SEQUENCE FARDYHMDGE LAATPDGKIL GLRVNVVADH GAFDACADPT KFPAGLFHIC DATA SEQUENCE SGSYDIPRAH CSVKGVYTNK APGGVAYXXS FRVTEAVYLI ERMVDVLAQK DATA SEQUENCE LNMDKAEIRA KNFIRKEQFP YTTQFGFEYD SGDYHTALKK VLDAVDYPAL DATA SEQUENCE RAEQAARRAD PNSPTLMGIG LVTFTEVVGA GPSKMCDILG VGMFDSCEIR DATA SEQUENCE IHPTGSAIAR MGTITQGQGH QTTYAQIIAT ELGIPSEVIQ VEEGDTSTAP DATA SEQUENCE YGLGTYGSRS TPVAGAAIAL AARKIHAKAR KIAAHMLEVN ENDLDWEVDR DATA SEQUENCE FKVKGDDSKF KTMADIAWQA YHQPPAGLEP GLEAVHYYDP PNFTYPFGIY DATA SEQUENCE LCVVDIDRAT GETKVRRFYA LDDCGTRINP MIIEGQIHGG LTEGYAVAMG DATA SEQUENCE QQMPFDAQGN LLGNTLMDYF LPTAVETPHW ETDHTVTPSP HHPIGAKGVA DATA SEQUENCE ESPHVGSIPT FTAAVVDAFA HVGVTHLDMP HTSYRVWKSL KEHNLAL 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 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.241 176.300 -0.098 0.000 2.045 7 D CA 0.000 53.951 54.000 -0.081 0.000 0.868 7 D CB 0.000 40.742 40.800 -0.096 0.000 0.688 8 A N 0.656 123.413 122.820 -0.104 0.000 1.975 8 A HA 0.019 4.339 4.320 0.001 0.000 0.215 8 A C 1.926 179.456 177.584 -0.089 0.000 1.170 8 A CA 1.549 53.515 52.037 -0.118 0.000 0.656 8 A CB -0.345 18.580 19.000 -0.124 0.000 0.821 8 A HN 0.300 nan 8.150 nan 0.000 0.449 9 E N 0.088 120.248 120.200 -0.067 0.000 2.107 9 E HA -0.059 4.291 4.350 0.001 0.000 0.191 9 E C 2.046 178.620 176.600 -0.044 0.000 0.982 9 E CA 0.890 57.261 56.400 -0.049 0.000 0.809 9 E CB -0.193 29.485 29.700 -0.037 0.000 0.756 9 E HN 0.508 nan 8.360 nan 0.000 0.459 10 A N 1.140 123.932 122.820 -0.046 0.000 1.897 10 A HA -0.113 4.208 4.320 0.001 0.000 0.215 10 A C 2.174 179.733 177.584 -0.041 0.000 1.181 10 A CA 1.242 53.256 52.037 -0.038 0.000 0.620 10 A CB -0.398 18.580 19.000 -0.037 0.000 0.821 10 A HN 0.139 nan 8.150 nan 0.000 0.443 11 R N -0.549 119.916 120.500 -0.059 0.000 2.091 11 R HA -0.173 4.168 4.340 0.001 0.000 0.238 11 R C 2.316 178.584 176.300 -0.052 0.000 1.136 11 R CA 1.739 57.800 56.100 -0.064 0.000 0.959 11 R CB -0.256 29.983 30.300 -0.101 0.000 0.856 11 R HN 0.791 nan 8.270 nan 0.000 0.437 12 E N 0.582 120.748 120.200 -0.056 0.000 2.077 12 E HA -0.215 4.135 4.350 0.001 0.000 0.193 12 E C 1.982 178.571 176.600 -0.019 0.000 0.989 12 E CA 0.998 57.376 56.400 -0.037 0.000 0.800 12 E CB -0.043 29.633 29.700 -0.039 0.000 0.746 12 E HN 0.262 nan 8.360 nan 0.000 0.452 13 L N 0.484 121.695 121.223 -0.020 0.000 2.083 13 L HA -0.109 4.231 4.340 0.001 0.000 0.209 13 L C 2.331 179.197 176.870 -0.007 0.000 1.083 13 L CA 1.713 56.546 54.840 -0.012 0.000 0.752 13 L CB -0.287 41.764 42.059 -0.013 0.000 0.899 13 L HN 0.189 nan 8.230 nan 0.000 0.433 14 A N -0.627 122.187 122.820 -0.011 0.000 2.121 14 A HA -0.102 4.219 4.320 0.001 0.000 0.218 14 A C 2.144 179.730 177.584 0.004 0.000 1.154 14 A CA 1.313 53.347 52.037 -0.005 0.000 0.679 14 A CB -0.716 18.278 19.000 -0.009 0.000 0.795 14 A HN 0.537 nan 8.150 nan 0.000 0.458 15 L N -1.720 119.506 121.223 0.005 0.000 2.179 15 L HA 0.051 4.391 4.340 0.001 0.000 0.208 15 L C 1.755 178.635 176.870 0.018 0.000 1.096 15 L CA 0.572 55.422 54.840 0.017 0.000 0.779 15 L CB -0.494 41.580 42.059 0.024 0.000 0.922 15 L HN 0.531 nan 8.230 nan 0.000 0.443 16 A N 0.324 123.151 122.820 0.011 0.000 2.739 16 A HA -0.133 4.187 4.320 0.001 0.000 0.296 16 A C 0.898 178.489 177.584 0.013 0.000 1.488 16 A CA 0.542 52.585 52.037 0.010 0.000 0.746 16 A CB -2.146 16.860 19.000 0.011 0.000 1.047 16 A HN 0.492 nan 8.150 nan 0.000 0.477 17 G N -0.701 108.107 108.800 0.013 0.000 3.022 17 G HA2 0.550 4.510 3.960 0.001 0.000 0.157 17 G HA3 0.550 4.510 3.960 0.001 0.000 0.157 17 G C 0.518 175.421 174.900 0.004 0.000 1.468 17 G CA -0.388 44.720 45.100 0.014 0.000 1.058 17 G HN 0.467 nan 8.290 nan 0.000 0.581 18 M N 1.164 120.764 119.600 0.000 0.000 2.290 18 M HA 0.177 4.658 4.480 0.001 0.000 0.356 18 M C 1.548 177.838 176.300 -0.016 0.000 1.448 18 M CA 1.419 56.712 55.300 -0.012 0.000 0.993 18 M CB -0.341 32.249 32.600 -0.016 0.000 1.934 18 M HN 1.266 nan 8.290 nan 0.000 0.461 19 G N 2.384 111.168 108.800 -0.027 0.000 2.225 19 G HA2 -0.192 3.769 3.960 0.001 0.000 0.254 19 G HA3 -0.192 3.769 3.960 0.001 0.000 0.254 19 G C 0.321 175.206 174.900 -0.025 0.000 0.988 19 G CA 0.195 45.276 45.100 -0.031 0.000 0.625 19 G HN 1.097 nan 8.290 nan 0.000 0.527 20 A N 0.308 123.118 122.820 -0.016 0.000 2.388 20 A HA 0.699 5.019 4.320 0.001 0.000 0.257 20 A C 0.997 178.573 177.584 -0.014 0.000 1.095 20 A CA 0.932 52.962 52.037 -0.011 0.000 0.791 20 A CB 0.668 19.666 19.000 -0.004 0.000 1.029 20 A HN 0.892 nan 8.150 nan 0.000 0.489 21 S N 1.164 116.858 115.700 -0.011 0.000 2.849 21 S HA 0.136 4.606 4.470 0.001 0.000 0.244 21 S C 0.632 175.231 174.600 -0.002 0.000 1.297 21 S CA -0.381 57.813 58.200 -0.010 0.000 1.241 21 S CB -0.812 62.383 63.200 -0.008 0.000 0.958 21 S HN 0.762 nan 8.310 nan 0.000 0.489 22 R N 0.646 121.146 120.500 0.000 0.000 2.679 22 R HA 0.310 4.650 4.340 0.001 0.000 0.268 22 R C -0.211 176.094 176.300 0.008 0.000 1.044 22 R CA -0.366 55.737 56.100 0.005 0.000 1.105 22 R CB 0.133 30.437 30.300 0.007 0.000 0.989 22 R HN 0.185 nan 8.270 nan 0.000 0.447 23 L N 2.194 123.424 121.223 0.011 0.000 2.476 23 L HA 0.213 4.554 4.340 0.001 0.000 0.264 23 L C 0.958 177.838 176.870 0.017 0.000 1.224 23 L CA -0.512 54.337 54.840 0.016 0.000 0.821 23 L CB 0.219 42.289 42.059 0.018 0.000 1.101 23 L HN 0.603 nan 8.230 nan 0.000 0.488 24 R N 1.166 121.680 120.500 0.023 0.000 2.543 24 R HA 0.075 4.416 4.340 0.001 0.000 0.277 24 R C 0.618 176.929 176.300 0.019 0.000 1.074 24 R CA -0.310 55.805 56.100 0.026 0.000 1.076 24 R CB 0.713 31.040 30.300 0.044 0.000 0.993 24 R HN 0.541 nan 8.270 nan 0.000 0.459 25 K N 1.947 122.352 120.400 0.009 0.000 2.305 25 K HA -0.093 4.228 4.320 0.001 0.000 0.199 25 K C 1.231 177.811 176.600 -0.033 0.000 1.047 25 K CA 1.056 57.338 56.287 -0.008 0.000 0.976 25 K CB 0.246 32.742 32.500 -0.008 0.000 0.765 25 K HN 0.479 nan 8.250 nan 0.000 0.474 26 E N 1.259 121.451 120.200 -0.014 0.000 2.150 26 E HA -0.154 4.196 4.350 0.001 0.000 0.193 26 E C 1.320 177.884 176.600 -0.061 0.000 0.985 26 E CA 1.111 57.480 56.400 -0.051 0.000 0.814 26 E CB -0.079 29.697 29.700 0.126 0.000 0.752 26 E HN 0.177 nan 8.360 nan 0.000 0.466 27 D N 0.748 121.189 120.400 0.068 0.000 2.133 27 D HA -0.248 4.392 4.640 0.001 0.000 0.192 27 D C 1.870 178.191 176.300 0.034 0.000 1.001 27 D CA 1.651 55.717 54.000 0.110 0.000 0.844 27 D CB -0.567 40.285 40.800 0.088 0.000 0.944 27 D HN 0.230 nan 8.370 nan 0.000 0.447 28 A N 1.360 124.164 122.820 -0.026 0.000 1.896 28 A HA -0.335 3.986 4.320 0.001 0.000 0.220 28 A C 2.163 179.705 177.584 -0.069 0.000 1.206 28 A CA 3.020 55.032 52.037 -0.040 0.000 0.647 28 A CB -0.790 18.179 19.000 -0.053 0.000 0.828 28 A HN 0.463 nan 8.150 nan 0.000 0.455 29 R N -2.431 117.961 120.500 -0.181 0.000 2.073 29 R HA -0.000 4.340 4.340 0.001 0.000 0.229 29 R C 1.776 178.003 176.300 -0.121 0.000 1.120 29 R CA 1.597 57.565 56.100 -0.221 0.000 0.967 29 R CB -0.692 29.377 30.300 -0.384 0.000 0.862 29 R HN 0.349 nan 8.270 nan 0.000 0.436 30 F N 2.576 122.532 119.950 0.010 0.000 2.186 30 F HA 0.020 4.548 4.527 0.001 0.000 0.299 30 F C 2.267 178.093 175.800 0.043 0.000 1.090 30 F CA 0.530 58.555 58.000 0.042 0.000 1.307 30 F CB -0.398 38.631 39.000 0.049 0.000 1.019 30 F HN 0.079 nan 8.300 nan 0.000 0.489 31 I N -2.139 118.548 120.570 0.195 0.000 3.428 31 I HA -0.042 4.128 4.170 0.001 0.000 0.286 31 I C 0.968 177.133 176.117 0.081 0.000 1.287 31 I CA 1.002 62.374 61.300 0.121 0.000 1.396 31 I CB -0.475 37.577 38.000 0.087 0.000 1.062 31 I HN 0.156 nan 8.210 nan 0.000 0.471 32 Q N 1.344 121.187 119.800 0.072 0.000 2.159 32 Q HA 0.295 4.635 4.340 0.001 0.000 0.217 32 Q C 1.121 177.154 176.000 0.055 0.000 0.818 32 Q CA 0.342 56.173 55.803 0.046 0.000 1.008 32 Q CB 1.296 30.046 28.738 0.020 0.000 1.148 32 Q HN 0.703 nan 8.270 nan 0.000 0.491 33 G N 1.805 110.662 108.800 0.096 0.000 2.160 33 G HA2 -0.257 3.704 3.960 0.001 0.000 0.251 33 G HA3 -0.257 3.704 3.960 0.001 0.000 0.251 33 G C 0.549 175.507 174.900 0.096 0.000 1.008 33 G CA 0.222 45.389 45.100 0.112 0.000 0.724 33 G HN 0.087 nan 8.290 nan 0.000 0.514 34 K N 0.697 121.132 120.400 0.058 0.000 2.570 34 K HA 0.308 4.629 4.320 0.001 0.000 0.210 34 K C 1.411 177.987 176.600 -0.040 0.000 1.048 34 K CA 0.370 56.659 56.287 0.003 0.000 1.167 34 K CB 0.406 32.883 32.500 -0.037 0.000 0.892 34 K HN 0.483 nan 8.250 nan 0.000 0.480 35 G N 1.048 109.883 108.800 0.059 0.000 2.572 35 G HA2 0.073 4.033 3.960 0.001 0.000 0.261 35 G HA3 0.073 4.033 3.960 0.001 0.000 0.261 35 G C -0.427 174.450 174.900 -0.039 0.000 1.197 35 G CA -0.338 44.751 45.100 -0.019 0.000 0.870 35 G HN 0.175 nan 8.290 nan 0.000 0.548 36 N N -0.478 118.096 118.700 -0.211 0.000 2.682 36 N HA 0.354 5.094 4.740 0.001 0.000 0.252 36 N C -1.422 173.983 175.510 -0.175 0.000 1.081 36 N CA -0.503 52.471 53.050 -0.127 0.000 0.844 36 N CB 0.389 38.807 38.487 -0.115 0.000 1.167 36 N HN 0.410 nan 8.380 nan 0.000 0.523 37 Y N 0.803 121.129 120.300 0.043 0.000 2.432 37 Y HA 0.247 4.797 4.550 0.001 0.000 0.322 37 Y C 1.725 177.628 175.900 0.005 0.000 1.246 37 Y CA -1.021 57.098 58.100 0.032 0.000 1.268 37 Y CB 0.836 39.313 38.460 0.028 0.000 1.276 37 Y HN 0.019 nan 8.280 nan 0.000 0.499 38 V N 0.504 120.528 119.914 0.184 0.000 2.277 38 V HA -0.353 3.767 4.120 0.001 0.000 0.253 38 V C 1.604 177.743 176.094 0.076 0.000 1.067 38 V CA 2.535 64.900 62.300 0.108 0.000 1.047 38 V CB -0.366 31.525 31.823 0.113 0.000 0.649 38 V HN 0.853 nan 8.190 nan 0.000 0.447 39 D N -0.665 119.781 120.400 0.077 0.000 2.378 39 D HA -0.098 4.543 4.640 0.001 0.000 0.227 39 D C 1.468 177.803 176.300 0.059 0.000 1.012 39 D CA 0.497 54.530 54.000 0.055 0.000 0.905 39 D CB -0.166 40.650 40.800 0.025 0.000 0.895 39 D HN 0.493 nan 8.370 nan 0.000 0.532 40 D N -0.546 119.898 120.400 0.073 0.000 2.348 40 D HA 0.042 4.683 4.640 0.001 0.000 0.211 40 D C 0.640 176.944 176.300 0.007 0.000 0.998 40 D CA 0.009 54.043 54.000 0.056 0.000 0.873 40 D CB 0.505 41.361 40.800 0.093 0.000 0.925 40 D HN 0.330 nan 8.370 nan 0.000 0.524 41 I N 1.548 122.105 120.570 -0.023 0.000 2.533 41 I HA 0.029 4.199 4.170 0.001 0.000 0.284 41 I C 0.452 176.546 176.117 -0.039 0.000 1.109 41 I CA 0.384 61.629 61.300 -0.091 0.000 1.412 41 I CB 0.469 38.348 38.000 -0.203 0.000 1.396 41 I HN -0.430 nan 8.210 nan 0.000 0.543 42 K N 7.956 128.329 120.400 -0.045 0.000 2.471 42 K HA 0.662 4.983 4.320 0.001 0.000 0.252 42 K C -1.093 175.499 176.600 -0.013 0.000 0.938 42 K CA -0.652 55.631 56.287 -0.006 0.000 0.796 42 K CB 2.456 34.959 32.500 0.005 0.000 1.161 42 K HN 0.502 nan 8.250 nan 0.000 0.425 43 M N 2.154 121.762 119.600 0.013 0.000 2.644 43 M HA 0.411 4.892 4.480 0.001 0.000 0.304 43 M C -2.483 173.834 176.300 0.029 0.000 1.215 43 M CA -2.254 53.059 55.300 0.023 0.000 0.871 43 M CB 1.948 34.579 32.600 0.051 0.000 1.740 43 M HN 0.214 nan 8.290 nan 0.000 0.464 44 P HA 0.112 nan 4.420 nan 0.000 0.263 44 P C 0.593 177.911 177.300 0.030 0.000 1.195 44 P CA 0.927 64.042 63.100 0.026 0.000 0.762 44 P CB 0.302 32.015 31.700 0.022 0.000 0.799 45 G N 2.817 111.635 108.800 0.029 0.000 2.155 45 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 45 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 45 G C 0.234 175.146 174.900 0.020 0.000 0.983 45 G CA 0.026 45.142 45.100 0.027 0.000 0.676 45 G HN 0.594 nan 8.290 nan 0.000 0.528 46 M N 0.719 120.337 119.600 0.031 0.000 2.246 46 M HA 0.525 5.005 4.480 0.001 0.000 0.350 46 M C 0.411 176.729 176.300 0.030 0.000 1.406 46 M CA 0.249 55.573 55.300 0.039 0.000 1.089 46 M CB 0.134 32.769 32.600 0.057 0.000 1.782 46 M HN 0.213 nan 8.290 nan 0.000 0.457 47 L N 3.504 124.733 121.223 0.010 0.000 2.365 47 L HA 0.475 4.815 4.340 0.001 0.000 0.267 47 L C -0.656 176.265 176.870 0.085 0.000 1.033 47 L CA -0.986 53.850 54.840 -0.007 0.000 0.802 47 L CB 1.568 43.548 42.059 -0.131 0.000 1.267 47 L HN 0.664 nan 8.230 nan 0.000 0.457 48 H N 0.950 120.037 119.070 0.029 0.000 2.495 48 H HA 0.518 5.074 4.556 0.001 0.000 0.348 48 H C -0.963 174.427 175.328 0.102 0.000 1.113 48 H CA -0.500 55.596 56.048 0.081 0.000 1.195 48 H CB 1.768 31.581 29.762 0.085 0.000 1.521 48 H HN 0.441 nan 8.280 nan 0.000 0.509 49 M N 3.903 123.517 119.600 0.023 0.000 2.364 49 M HA 0.320 4.800 4.480 0.001 0.000 0.334 49 M C -1.652 174.814 176.300 0.278 0.000 1.107 49 M CA -0.606 54.777 55.300 0.139 0.000 0.988 49 M CB 1.286 33.933 32.600 0.079 0.000 1.673 49 M HN 0.630 nan 8.290 nan 0.000 0.441 50 D N 3.914 124.456 120.400 0.237 0.000 2.601 50 D HA 0.565 5.206 4.640 0.001 0.000 0.230 50 D C -1.450 174.938 176.300 0.146 0.000 1.106 50 D CA -0.292 53.860 54.000 0.253 0.000 0.873 50 D CB 2.082 43.005 40.800 0.206 0.000 1.515 50 D HN 0.635 nan 8.370 nan 0.000 0.468 51 I N 1.613 122.272 120.570 0.149 0.000 2.377 51 I HA 0.280 4.451 4.170 0.001 0.000 0.293 51 I C -0.010 176.143 176.117 0.059 0.000 0.987 51 I CA -1.139 60.199 61.300 0.064 0.000 1.185 51 I CB 2.029 40.048 38.000 0.032 0.000 1.341 51 I HN 0.045 nan 8.210 nan 0.000 0.455 52 V N 7.128 127.063 119.914 0.036 0.000 2.427 52 V HA 0.303 4.424 4.120 0.001 0.000 0.268 52 V C 0.396 176.512 176.094 0.037 0.000 1.046 52 V CA -0.328 61.997 62.300 0.042 0.000 0.970 52 V CB 0.268 32.114 31.823 0.038 0.000 1.001 52 V HN 0.683 nan 8.190 nan 0.000 0.476 53 R N 3.116 123.640 120.500 0.041 0.000 2.720 53 R HA 0.754 5.095 4.340 0.001 0.000 0.272 53 R C -0.047 176.265 176.300 0.020 0.000 0.991 53 R CA -0.717 55.394 56.100 0.018 0.000 1.010 53 R CB 1.636 31.945 30.300 0.015 0.000 1.141 53 R HN 0.749 nan 8.270 nan 0.000 0.494 54 A N 3.257 126.053 122.820 -0.040 0.000 2.492 54 A HA 0.170 4.490 4.320 0.001 0.000 0.254 54 A C -1.590 175.898 177.584 -0.159 0.000 1.091 54 A CA -1.023 50.938 52.037 -0.126 0.000 0.768 54 A CB 0.009 18.880 19.000 -0.215 0.000 1.028 54 A HN 0.572 nan 8.150 nan 0.000 0.498 55 P HA 0.048 nan 4.420 nan 0.000 0.235 55 P C 0.315 177.516 177.300 -0.165 0.000 1.177 55 P CA 0.667 63.682 63.100 -0.140 0.000 0.785 55 P CB -0.225 31.418 31.700 -0.096 0.000 0.885 56 I N -5.381 115.016 120.570 -0.289 0.000 2.982 56 I HA 0.722 4.892 4.170 0.001 0.000 0.312 56 I C 1.081 177.121 176.117 -0.128 0.000 1.041 56 I CA -1.262 59.917 61.300 -0.201 0.000 1.053 56 I CB 1.567 39.411 38.000 -0.260 0.000 1.248 56 I HN -0.380 nan 8.210 nan 0.000 0.471 57 A N 0.996 123.800 122.820 -0.026 0.000 1.984 57 A HA 0.131 4.452 4.320 0.001 0.000 0.214 57 A C 0.717 178.354 177.584 0.089 0.000 1.173 57 A CA 0.874 52.941 52.037 0.050 0.000 0.673 57 A CB -0.326 18.731 19.000 0.095 0.000 0.830 57 A HN 0.888 nan 8.150 nan 0.000 0.453 58 H N -2.226 116.806 119.070 -0.064 0.000 3.042 58 H HA 0.484 5.040 4.556 0.001 0.000 0.345 58 H C -0.561 174.728 175.328 -0.066 0.000 1.052 58 H CA -0.171 55.838 56.048 -0.065 0.000 1.311 58 H CB 1.277 31.025 29.762 -0.024 0.000 1.810 58 H HN 0.515 nan 8.280 nan 0.000 0.505 59 G N 3.527 112.310 108.800 -0.028 0.000 2.355 59 G HA2 0.152 4.112 3.960 0.001 0.000 0.296 59 G HA3 0.152 4.112 3.960 0.001 0.000 0.296 59 G C -1.675 173.236 174.900 0.019 0.000 1.507 59 G CA -1.092 43.960 45.100 -0.079 0.000 0.823 59 G HN 0.550 nan 8.290 nan 0.000 0.569 60 R N -0.385 120.127 120.500 0.021 0.000 2.490 60 R HA 0.452 4.792 4.340 0.001 0.000 0.278 60 R C -0.064 176.285 176.300 0.082 0.000 1.069 60 R CA -0.493 55.632 56.100 0.041 0.000 1.080 60 R CB 1.377 31.680 30.300 0.006 0.000 1.030 60 R HN 0.393 nan 8.270 nan 0.000 0.491 61 I N 3.484 124.072 120.570 0.031 0.000 2.291 61 I HA 0.036 4.207 4.170 0.001 0.000 0.292 61 I C 1.342 177.394 176.117 -0.109 0.000 1.064 61 I CA 0.038 61.284 61.300 -0.090 0.000 1.269 61 I CB 1.014 38.949 38.000 -0.108 0.000 1.418 61 I HN 0.537 nan 8.210 nan 0.000 0.485 62 K N 4.603 124.924 120.400 -0.132 0.000 2.007 62 K HA 0.040 4.360 4.320 0.001 0.000 0.206 62 K C 0.691 177.211 176.600 -0.134 0.000 1.047 62 K CA 1.208 57.436 56.287 -0.098 0.000 0.937 62 K CB 0.299 32.760 32.500 -0.065 0.000 0.718 62 K HN 0.448 nan 8.250 nan 0.000 0.438 63 K N 0.085 120.366 120.400 -0.198 0.000 2.578 63 K HA 0.318 4.638 4.320 0.001 0.000 0.269 63 K C -1.819 174.587 176.600 -0.324 0.000 0.941 63 K CA -0.455 55.680 56.287 -0.254 0.000 0.847 63 K CB 1.445 33.784 32.500 -0.269 0.000 1.397 63 K HN -0.083 nan 8.250 nan 0.000 0.422 64 I N 3.523 123.891 120.570 -0.337 0.000 2.406 64 I HA 0.303 4.473 4.170 0.001 0.000 0.290 64 I C -0.490 175.433 176.117 -0.324 0.000 0.999 64 I CA -0.897 60.246 61.300 -0.261 0.000 1.124 64 I CB 1.538 39.440 38.000 -0.164 0.000 1.289 64 I HN 0.471 nan 8.210 nan 0.000 0.441 65 H N 6.359 125.394 119.070 -0.058 0.000 2.556 65 H HA 0.267 4.824 4.556 0.001 0.000 0.310 65 H C -0.215 175.099 175.328 -0.024 0.000 1.057 65 H CA -0.380 55.646 56.048 -0.036 0.000 1.264 65 H CB 1.609 31.353 29.762 -0.030 0.000 1.404 65 H HN 0.533 nan 8.280 nan 0.000 0.462 66 K N 1.265 121.701 120.400 0.061 0.000 2.348 66 K HA 0.007 4.327 4.320 0.001 0.000 0.194 66 K C 1.033 177.659 176.600 0.043 0.000 1.052 66 K CA -0.027 56.283 56.287 0.039 0.000 1.004 66 K CB 0.746 33.252 32.500 0.009 0.000 0.873 66 K HN 0.353 nan 8.250 nan 0.000 0.523 67 D N 1.783 122.214 120.400 0.053 0.000 2.106 67 D HA -0.206 4.434 4.640 0.001 0.000 0.191 67 D C 1.915 178.233 176.300 0.030 0.000 0.997 67 D CA 1.795 55.818 54.000 0.038 0.000 0.834 67 D CB -0.258 40.567 40.800 0.043 0.000 0.956 67 D HN 0.225 nan 8.370 nan 0.000 0.448 68 A N 0.947 123.786 122.820 0.032 0.000 1.877 68 A HA -0.063 4.258 4.320 0.001 0.000 0.216 68 A C 2.328 179.926 177.584 0.025 0.000 1.186 68 A CA 2.519 54.569 52.037 0.021 0.000 0.620 68 A CB -0.795 18.213 19.000 0.013 0.000 0.822 68 A HN 0.255 nan 8.150 nan 0.000 0.443 69 A N -0.404 122.436 122.820 0.032 0.000 1.877 69 A HA -0.024 4.297 4.320 0.001 0.000 0.216 69 A C 2.176 179.780 177.584 0.034 0.000 1.186 69 A CA 1.451 53.510 52.037 0.036 0.000 0.620 69 A CB -0.623 18.402 19.000 0.042 0.000 0.822 69 A HN 0.463 nan 8.150 nan 0.000 0.443 70 L N -0.830 120.411 121.223 0.029 0.000 2.131 70 L HA -0.202 4.138 4.340 0.001 0.000 0.210 70 L C 2.940 179.816 176.870 0.011 0.000 1.092 70 L CA 1.028 55.881 54.840 0.022 0.000 0.759 70 L CB -0.364 41.706 42.059 0.018 0.000 0.903 70 L HN 0.461 nan 8.230 nan 0.000 0.435 71 A N -0.888 121.939 122.820 0.011 0.000 2.119 71 A HA -0.075 4.246 4.320 0.001 0.000 0.216 71 A C 1.395 178.982 177.584 0.005 0.000 1.152 71 A CA 0.062 52.102 52.037 0.005 0.000 0.708 71 A CB -0.296 18.707 19.000 0.006 0.000 0.805 71 A HN 0.333 nan 8.150 nan 0.000 0.460 72 M N 2.306 121.915 119.600 0.014 0.000 2.269 72 M HA 0.132 4.612 4.480 0.001 0.000 0.350 72 M C -2.208 174.100 176.300 0.015 0.000 1.429 72 M CA -1.701 53.611 55.300 0.019 0.000 1.063 72 M CB 0.629 33.248 32.600 0.032 0.000 1.841 72 M HN 0.020 nan 8.290 nan 0.000 0.455 73 P HA 0.138 nan 4.420 nan 0.000 0.271 73 P C 0.345 177.660 177.300 0.026 0.000 1.220 73 P CA 0.727 63.830 63.100 0.005 0.000 0.768 73 P CB 0.820 32.524 31.700 0.007 0.000 0.848 74 G N 1.780 110.590 108.800 0.016 0.000 2.213 74 G HA2 -0.184 3.776 3.960 0.001 0.000 0.226 74 G HA3 -0.184 3.776 3.960 0.001 0.000 0.226 74 G C -0.131 174.873 174.900 0.172 0.000 0.992 74 G CA -0.177 44.977 45.100 0.089 0.000 0.632 74 G HN 0.526 nan 8.290 nan 0.000 0.511 75 V N 2.151 122.122 119.914 0.096 0.000 2.465 75 V HA 0.434 4.555 4.120 0.001 0.000 0.279 75 V C 1.273 177.421 176.094 0.091 0.000 1.045 75 V CA -0.268 62.119 62.300 0.145 0.000 0.938 75 V CB 1.293 33.168 31.823 0.087 0.000 0.986 75 V HN 0.380 nan 8.190 nan 0.000 0.467 76 H N 3.014 122.112 119.070 0.047 0.000 2.557 76 H HA 0.561 5.117 4.556 0.001 0.000 0.281 76 H C 0.607 175.956 175.328 0.034 0.000 0.990 76 H CA 0.810 56.883 56.048 0.041 0.000 1.278 76 H CB 1.287 31.077 29.762 0.048 0.000 1.451 76 H HN 0.712 nan 8.280 nan 0.000 0.516 77 A N 0.721 123.635 122.820 0.157 0.000 2.597 77 A HA 0.487 4.807 4.320 0.001 0.000 0.292 77 A C -1.650 175.974 177.584 0.067 0.000 1.057 77 A CA -0.502 51.588 52.037 0.089 0.000 0.674 77 A CB 1.439 20.488 19.000 0.082 0.000 1.278 77 A HN -0.034 nan 8.150 nan 0.000 0.416 78 V N 1.930 121.868 119.914 0.040 0.000 2.482 78 V HA 0.530 4.651 4.120 0.001 0.000 0.295 78 V C -0.542 175.557 176.094 0.009 0.000 1.026 78 V CA -0.219 62.097 62.300 0.027 0.000 0.856 78 V CB 1.200 33.037 31.823 0.025 0.000 1.001 78 V HN 0.753 nan 8.190 nan 0.000 0.424 79 L N 4.312 125.535 121.223 -0.001 0.000 2.333 79 L HA 0.896 5.236 4.340 0.001 0.000 0.269 79 L C 0.457 177.310 176.870 -0.029 0.000 1.010 79 L CA -0.362 54.467 54.840 -0.017 0.000 0.818 79 L CB 2.493 44.540 42.059 -0.020 0.000 1.306 79 L HN 0.811 nan 8.230 nan 0.000 0.430 80 T N -2.580 111.951 114.554 -0.038 0.000 2.693 80 T HA 0.529 4.879 4.350 0.001 0.000 0.278 80 T C 0.760 175.432 174.700 -0.048 0.000 0.994 80 T CA -0.005 62.067 62.100 -0.046 0.000 1.033 80 T CB 1.447 70.283 68.868 -0.052 0.000 1.342 80 T HN 0.510 nan 8.240 nan 0.000 0.538 81 A N 0.027 122.819 122.820 -0.047 0.000 2.067 81 A HA 0.005 4.326 4.320 0.001 0.000 0.219 81 A C 2.085 179.622 177.584 -0.077 0.000 1.158 81 A CA 1.132 53.148 52.037 -0.035 0.000 0.661 81 A CB -0.937 18.060 19.000 -0.005 0.000 0.801 81 A HN 0.789 nan 8.150 nan 0.000 0.452 82 E N 0.773 120.929 120.200 -0.075 0.000 2.150 82 E HA -0.146 4.205 4.350 0.001 0.000 0.193 82 E C 0.907 177.458 176.600 -0.081 0.000 0.985 82 E CA 1.158 57.506 56.400 -0.087 0.000 0.814 82 E CB -0.342 29.318 29.700 -0.067 0.000 0.752 82 E HN 0.650 nan 8.360 nan 0.000 0.466 83 D N -0.154 120.210 120.400 -0.061 0.000 2.347 83 D HA -0.046 4.595 4.640 0.001 0.000 0.213 83 D C 1.435 177.706 176.300 -0.048 0.000 0.985 83 D CA 0.229 54.200 54.000 -0.048 0.000 0.879 83 D CB 0.379 41.158 40.800 -0.035 0.000 0.919 83 D HN 0.094 nan 8.370 nan 0.000 0.526 84 L N 0.659 121.850 121.223 -0.054 0.000 2.463 84 L HA 0.070 4.410 4.340 0.001 0.000 0.219 84 L C 2.151 178.996 176.870 -0.042 0.000 1.088 84 L CA 0.725 55.551 54.840 -0.024 0.000 0.849 84 L CB -0.029 42.042 42.059 0.020 0.000 1.012 84 L HN -0.211 nan 8.230 nan 0.000 0.468 85 K N 0.165 120.453 120.400 -0.187 0.000 2.032 85 K HA -0.153 4.167 4.320 0.001 0.000 0.209 85 K C -0.430 176.110 176.600 -0.098 0.000 1.048 85 K CA 1.613 57.716 56.287 -0.307 0.000 0.927 85 K CB -1.192 31.076 32.500 -0.386 0.000 0.712 85 K HN 0.238 nan 8.250 nan 0.000 0.441 86 P HA -0.129 nan 4.420 nan 0.000 0.223 86 P C 0.602 177.895 177.300 -0.012 0.000 1.144 86 P CA 1.145 64.225 63.100 -0.034 0.000 0.783 86 P CB 0.114 31.793 31.700 -0.036 0.000 0.771 87 L N -1.991 119.231 121.223 -0.002 0.000 2.693 87 L HA 0.234 4.574 4.340 0.001 0.000 0.235 87 L C 0.378 177.278 176.870 0.049 0.000 1.127 87 L CA -0.136 54.710 54.840 0.010 0.000 0.914 87 L CB -0.399 41.657 42.059 -0.006 0.000 1.193 87 L HN -0.157 nan 8.230 nan 0.000 0.502 88 K N 0.779 121.235 120.400 0.093 0.000 3.096 88 K HA -0.180 4.140 4.320 0.001 0.000 0.266 88 K C 0.466 177.186 176.600 0.199 0.000 1.043 88 K CA 0.393 56.787 56.287 0.177 0.000 0.758 88 K CB -1.427 31.135 32.500 0.104 0.000 1.260 88 K HN 0.364 nan 8.250 nan 0.000 0.481 89 L N 0.008 121.368 121.223 0.228 0.000 2.906 89 L HA 0.086 4.426 4.340 0.001 0.000 0.255 89 L C 1.955 178.925 176.870 0.168 0.000 1.166 89 L CA -0.386 54.544 54.840 0.151 0.000 0.977 89 L CB 0.006 42.103 42.059 0.063 0.000 1.313 89 L HN 0.360 nan 8.230 nan 0.000 0.549 90 H N -2.039 117.052 119.070 0.035 0.000 2.521 90 H HA -0.054 4.502 4.556 0.001 0.000 0.286 90 H C -0.417 174.791 175.328 -0.200 0.000 1.034 90 H CA 0.063 56.075 56.048 -0.059 0.000 1.278 90 H CB -0.443 29.313 29.762 -0.011 0.000 1.386 90 H HN 0.181 nan 8.280 nan 0.000 0.567 91 W N 0.907 122.003 121.300 -0.340 0.000 2.950 91 W HA 0.552 5.213 4.660 0.001 0.000 0.340 91 W C -0.253 176.149 176.519 -0.196 0.000 1.139 91 W CA -1.189 55.952 57.345 -0.339 0.000 1.188 91 W CB 1.680 30.868 29.460 -0.453 0.000 1.426 91 W HN 0.006 nan 8.180 nan 0.000 0.531 92 M N 2.390 122.040 119.600 0.083 0.000 2.531 92 M HA 0.650 5.131 4.480 0.001 0.000 0.286 92 M C -2.937 173.393 176.300 0.050 0.000 1.232 92 M CA -2.164 53.163 55.300 0.045 0.000 0.877 92 M CB 2.701 35.307 32.600 0.009 0.000 1.726 92 M HN -0.001 nan 8.290 nan 0.000 0.463 93 P HA 0.218 nan 4.420 nan 0.000 0.275 93 P C -0.751 176.574 177.300 0.041 0.000 1.228 93 P CA 0.073 63.195 63.100 0.036 0.000 0.786 93 P CB 1.150 32.864 31.700 0.024 0.000 0.927 94 T N -0.890 113.698 114.554 0.057 0.000 2.950 94 T HA 0.367 4.717 4.350 0.001 0.000 0.288 94 T C 1.500 176.232 174.700 0.054 0.000 1.035 94 T CA -0.935 61.203 62.100 0.063 0.000 1.028 94 T CB 0.611 69.545 68.868 0.111 0.000 1.109 94 T HN 0.179 nan 8.240 nan 0.000 0.514 95 L N 0.691 121.939 121.223 0.041 0.000 2.265 95 L HA 0.070 4.411 4.340 0.001 0.000 0.215 95 L C 2.911 179.817 176.870 0.062 0.000 1.117 95 L CA 1.240 56.101 54.840 0.035 0.000 0.782 95 L CB -0.762 41.303 42.059 0.009 0.000 0.914 95 L HN 0.916 nan 8.230 nan 0.000 0.441 96 A N -0.356 122.522 122.820 0.097 0.000 2.206 96 A HA 0.251 4.572 4.320 0.001 0.000 0.211 96 A C 1.881 179.581 177.584 0.193 0.000 1.158 96 A CA 0.885 53.016 52.037 0.157 0.000 0.761 96 A CB -0.376 18.731 19.000 0.179 0.000 0.801 96 A HN 0.527 nan 8.150 nan 0.000 0.473 97 G N -0.796 108.059 108.800 0.092 0.000 2.175 97 G HA2 -0.246 3.714 3.960 0.001 0.000 0.244 97 G HA3 -0.246 3.714 3.960 0.001 0.000 0.244 97 G C 0.109 175.036 174.900 0.044 0.000 0.982 97 G CA 0.487 45.597 45.100 0.017 0.000 0.641 97 G HN 0.665 nan 8.290 nan 0.000 0.527 98 D N -0.223 120.248 120.400 0.118 0.000 2.529 98 D HA 0.676 5.316 4.640 0.001 0.000 0.273 98 D C 0.773 177.146 176.300 0.122 0.000 1.197 98 D CA 0.387 54.477 54.000 0.150 0.000 1.070 98 D CB 1.665 42.628 40.800 0.273 0.000 1.134 98 D HN 0.877 nan 8.370 nan 0.000 0.590 99 V N -2.229 117.763 119.914 0.130 0.000 2.715 99 V HA 0.960 5.080 4.120 0.001 0.000 0.310 99 V C -0.597 175.597 176.094 0.167 0.000 1.054 99 V CA -0.948 61.430 62.300 0.130 0.000 0.928 99 V CB 0.946 32.798 31.823 0.048 0.000 1.007 99 V HN 0.686 nan 8.190 nan 0.000 0.437 100 A N 2.497 125.328 122.820 0.019 0.000 2.386 100 A HA 0.962 5.282 4.320 0.001 0.000 0.311 100 A C 0.116 177.237 177.584 -0.772 0.000 1.068 100 A CA -0.395 51.324 52.037 -0.531 0.000 0.743 100 A CB 1.520 20.420 19.000 -0.166 0.000 1.258 100 A HN 2.233 nan 8.150 nan 0.000 0.429 101 A N 1.412 123.279 122.820 -1.589 0.000 2.454 101 A HA 0.470 4.791 4.320 0.001 0.000 0.260 101 A C 0.933 178.182 177.584 -0.559 0.000 1.106 101 A CA -0.101 51.170 52.037 -1.276 0.000 0.780 101 A CB 0.022 18.335 19.000 -1.145 0.000 1.044 101 A HN 1.182 nan 8.150 nan 0.000 0.498 102 V N 3.081 122.739 119.914 -0.426 0.000 2.446 102 V HA 0.069 4.189 4.120 0.001 0.000 0.244 102 V C 0.673 176.654 176.094 -0.189 0.000 1.039 102 V CA 1.224 63.393 62.300 -0.218 0.000 1.045 102 V CB -0.545 31.193 31.823 -0.142 0.000 0.681 102 V HN 0.675 nan 8.190 nan 0.000 0.459 103 L N -0.125 120.972 121.223 -0.209 0.000 2.436 103 L HA 0.660 5.001 4.340 0.001 0.000 0.268 103 L C -0.227 176.543 176.870 -0.166 0.000 0.974 103 L CA -0.796 53.956 54.840 -0.146 0.000 0.826 103 L CB 1.839 43.841 42.059 -0.095 0.000 1.291 103 L HN 0.125 nan 8.230 nan 0.000 0.406 104 A N 1.531 124.281 122.820 -0.116 0.000 2.545 104 A HA 0.048 4.368 4.320 0.001 0.000 0.253 104 A C 0.266 177.830 177.584 -0.034 0.000 1.074 104 A CA 0.235 52.229 52.037 -0.072 0.000 0.760 104 A CB 0.136 19.129 19.000 -0.012 0.000 1.005 104 A HN 0.836 nan 8.150 nan 0.000 0.506 105 D N 1.547 121.947 120.400 0.000 0.000 2.435 105 D HA -0.024 4.616 4.640 0.001 0.000 0.257 105 D C 1.521 177.865 176.300 0.075 0.000 1.290 105 D CA 1.264 55.306 54.000 0.071 0.000 0.994 105 D CB 0.015 40.942 40.800 0.211 0.000 1.014 105 D HN 0.643 nan 8.370 nan 0.000 0.378 106 E N -0.520 119.759 120.200 0.130 0.000 2.299 106 E HA 0.066 4.417 4.350 0.001 0.000 0.193 106 E C 0.169 176.812 176.600 0.071 0.000 0.998 106 E CA 0.453 56.912 56.400 0.098 0.000 0.851 106 E CB 0.345 30.123 29.700 0.130 0.000 0.795 106 E HN 0.302 nan 8.360 nan 0.000 0.492 107 K N -0.931 119.513 120.400 0.073 0.000 2.578 107 K HA 0.435 4.755 4.320 0.001 0.000 0.287 107 K C -0.931 175.649 176.600 -0.033 0.000 1.010 107 K CA -0.960 55.336 56.287 0.016 0.000 0.889 107 K CB 1.622 34.100 32.500 -0.037 0.000 1.514 107 K HN -0.095 nan 8.250 nan 0.000 0.424 108 V N -0.961 118.924 119.914 -0.048 0.000 2.513 108 V HA 0.440 4.560 4.120 0.001 0.000 0.299 108 V C -0.275 175.724 176.094 -0.157 0.000 1.035 108 V CA -0.400 61.858 62.300 -0.070 0.000 0.889 108 V CB 1.054 32.846 31.823 -0.053 0.000 0.988 108 V HN 0.940 nan 8.190 nan 0.000 0.440 109 H N 4.006 123.084 119.070 0.013 0.000 2.654 109 H HA 0.490 5.046 4.556 0.001 0.000 0.264 109 H C -0.050 175.301 175.328 0.039 0.000 0.954 109 H CA 0.988 57.021 56.048 -0.025 0.000 1.199 109 H CB 0.513 30.211 29.762 -0.108 0.000 1.446 109 H HN 0.778 nan 8.280 nan 0.000 0.516 110 F N -1.971 117.991 119.950 0.020 0.000 2.678 110 F HA 0.330 4.857 4.527 0.001 0.000 0.308 110 F C -0.933 174.887 175.800 0.032 0.000 1.118 110 F CA -1.601 56.402 58.000 0.005 0.000 0.959 110 F CB 1.247 40.239 39.000 -0.014 0.000 1.305 110 F HN -0.255 nan 8.300 nan 0.000 0.443 111 Q N 3.983 123.907 119.800 0.207 0.000 2.330 111 Q HA 0.277 4.618 4.340 0.001 0.000 0.279 111 Q C 0.325 176.397 176.000 0.121 0.000 1.024 111 Q CA 0.622 56.479 55.803 0.090 0.000 0.900 111 Q CB 0.436 29.250 28.738 0.126 0.000 1.221 111 Q HN 0.981 nan 8.270 nan 0.000 0.396 112 M N 0.771 120.363 119.600 -0.014 0.000 2.976 112 M HA -0.273 4.208 4.480 0.001 0.000 0.209 112 M C -0.185 176.072 176.300 -0.071 0.000 0.579 112 M CA 0.717 56.025 55.300 0.013 0.000 0.783 112 M CB -1.741 30.924 32.600 0.108 0.000 2.807 112 M HN 0.811 nan 8.290 nan 0.000 0.362 113 Q N 1.747 121.301 119.800 -0.410 0.000 2.394 113 Q HA 0.188 4.529 4.340 0.001 0.000 0.248 113 Q C -0.231 175.634 176.000 -0.225 0.000 0.992 113 Q CA 0.198 55.611 55.803 -0.650 0.000 0.888 113 Q CB 0.804 28.877 28.738 -1.109 0.000 1.257 113 Q HN 0.160 nan 8.270 nan 0.000 0.462 114 E N 2.194 122.316 120.200 -0.129 0.000 2.292 114 E HA 0.013 4.363 4.350 0.001 0.000 0.265 114 E C 0.014 176.567 176.600 -0.079 0.000 1.093 114 E CA 0.053 56.406 56.400 -0.078 0.000 0.922 114 E CB 0.950 30.600 29.700 -0.084 0.000 1.001 114 E HN 0.447 nan 8.360 nan 0.000 0.444 115 V N 1.753 121.643 119.914 -0.041 0.000 2.788 115 V HA 0.397 4.518 4.120 0.001 0.000 0.241 115 V C 0.538 176.613 176.094 -0.031 0.000 1.083 115 V CA 1.046 63.336 62.300 -0.017 0.000 1.103 115 V CB 0.129 31.985 31.823 0.053 0.000 0.800 115 V HN 0.678 nan 8.190 nan 0.000 0.476 116 A N 0.252 123.057 122.820 -0.026 0.000 2.610 116 A HA 0.814 5.134 4.320 0.001 0.000 0.291 116 A C -1.360 176.209 177.584 -0.025 0.000 1.086 116 A CA -0.493 51.527 52.037 -0.029 0.000 0.677 116 A CB 1.678 20.666 19.000 -0.019 0.000 1.278 116 A HN 0.380 nan 8.150 nan 0.000 0.414 117 I N -1.116 119.439 120.570 -0.026 0.000 2.785 117 I HA 0.916 5.086 4.170 0.001 0.000 0.302 117 I C -0.648 175.477 176.117 0.015 0.000 1.069 117 I CA -1.254 60.035 61.300 -0.017 0.000 1.045 117 I CB 2.174 40.141 38.000 -0.055 0.000 1.236 117 I HN 0.796 nan 8.210 nan 0.000 0.429 118 V N 2.165 122.105 119.914 0.043 0.000 2.823 118 V HA 0.705 4.826 4.120 0.001 0.000 0.312 118 V C -0.871 175.276 176.094 0.088 0.000 1.072 118 V CA -0.615 61.725 62.300 0.066 0.000 0.937 118 V CB 1.776 33.645 31.823 0.077 0.000 1.013 118 V HN 0.687 nan 8.190 nan 0.000 0.430 119 I N 3.258 123.887 120.570 0.099 0.000 2.465 119 I HA 0.947 5.117 4.170 0.001 0.000 0.291 119 I C 0.363 176.567 176.117 0.146 0.000 1.014 119 I CA -0.099 61.263 61.300 0.104 0.000 1.093 119 I CB 1.601 39.643 38.000 0.070 0.000 1.267 119 I HN 1.204 nan 8.210 nan 0.000 0.431 120 A N 3.667 126.574 122.820 0.145 0.000 2.564 120 A HA 0.563 4.883 4.320 0.001 0.000 0.288 120 A C 0.165 177.824 177.584 0.126 0.000 1.164 120 A CA -0.510 51.640 52.037 0.188 0.000 0.712 120 A CB 0.804 19.907 19.000 0.172 0.000 1.303 120 A HN 0.590 nan 8.150 nan 0.000 0.418 121 D N 0.360 120.855 120.400 0.159 0.000 2.221 121 D HA 0.008 4.649 4.640 0.001 0.000 0.204 121 D C -0.026 176.333 176.300 0.100 0.000 0.982 121 D CA 2.376 56.444 54.000 0.113 0.000 0.857 121 D CB -0.010 40.877 40.800 0.144 0.000 0.934 121 D HN 0.729 nan 8.370 nan 0.000 0.475 122 D N -3.029 117.435 120.400 0.106 0.000 2.665 122 D HA 0.087 4.728 4.640 0.001 0.000 0.287 122 D C 0.745 177.025 176.300 -0.034 0.000 1.266 122 D CA -0.824 53.207 54.000 0.052 0.000 0.830 122 D CB 0.671 41.501 40.800 0.049 0.000 1.356 122 D HN -0.112 nan 8.370 nan 0.000 0.437 123 R N -0.624 119.671 120.500 -0.342 0.000 2.237 123 R HA -0.103 4.237 4.340 0.001 0.000 0.219 123 R C 0.679 176.895 176.300 -0.140 0.000 1.080 123 R CA 0.989 56.809 56.100 -0.466 0.000 0.995 123 R CB -0.671 29.176 30.300 -0.756 0.000 0.875 123 R HN 0.429 nan 8.270 nan 0.000 0.462 124 Y N 1.455 121.684 120.300 -0.118 0.000 2.206 124 Y HA 0.054 4.604 4.550 0.001 0.000 0.292 124 Y C 2.280 178.171 175.900 -0.016 0.000 1.123 124 Y CA 0.914 58.981 58.100 -0.054 0.000 1.142 124 Y CB -0.117 38.318 38.460 -0.043 0.000 1.006 124 Y HN -0.095 nan 8.280 nan 0.000 0.518 125 I N -0.678 119.987 120.570 0.158 0.000 2.315 125 I HA -0.285 3.886 4.170 0.001 0.000 0.248 125 I C 2.503 178.675 176.117 0.092 0.000 1.117 125 I CA 1.010 62.377 61.300 0.111 0.000 1.404 125 I CB -0.555 37.511 38.000 0.110 0.000 1.071 125 I HN 0.176 nan 8.210 nan 0.000 0.419 126 A N 0.977 123.853 122.820 0.093 0.000 1.877 126 A HA -0.194 4.126 4.320 0.001 0.000 0.216 126 A C 2.580 180.208 177.584 0.075 0.000 1.186 126 A CA 1.938 54.041 52.037 0.109 0.000 0.620 126 A CB -0.902 18.201 19.000 0.173 0.000 0.822 126 A HN 0.413 nan 8.150 nan 0.000 0.443 127 A N -0.092 122.745 122.820 0.027 0.000 1.908 127 A HA -0.216 4.105 4.320 0.001 0.000 0.218 127 A C 1.776 179.369 177.584 0.016 0.000 1.181 127 A CA 2.069 54.106 52.037 -0.000 0.000 0.627 127 A CB -0.659 18.293 19.000 -0.081 0.000 0.818 127 A HN 0.478 nan 8.150 nan 0.000 0.445 128 D N 0.031 120.447 120.400 0.027 0.000 2.097 128 D HA -0.056 4.585 4.640 0.001 0.000 0.195 128 D C 2.263 178.587 176.300 0.040 0.000 0.989 128 D CA 1.623 55.644 54.000 0.034 0.000 0.827 128 D CB -0.535 40.294 40.800 0.048 0.000 0.966 128 D HN 0.411 nan 8.370 nan 0.000 0.456 129 A N 0.515 123.367 122.820 0.053 0.000 1.978 129 A HA -0.161 4.160 4.320 0.001 0.000 0.220 129 A C 2.495 180.110 177.584 0.051 0.000 1.170 129 A CA 1.249 53.319 52.037 0.055 0.000 0.636 129 A CB -0.698 18.345 19.000 0.071 0.000 0.810 129 A HN 0.164 nan 8.150 nan 0.000 0.448 130 V N 0.137 120.082 119.914 0.052 0.000 2.358 130 V HA -0.182 3.939 4.120 0.001 0.000 0.246 130 V C 2.504 178.622 176.094 0.041 0.000 1.047 130 V CA 2.031 64.360 62.300 0.049 0.000 1.035 130 V CB -0.618 31.237 31.823 0.052 0.000 0.658 130 V HN 0.518 nan 8.190 nan 0.000 0.452 131 E N 0.442 120.662 120.200 0.034 0.000 2.150 131 E HA -0.113 4.237 4.350 0.001 0.000 0.193 131 E C 2.244 178.861 176.600 0.028 0.000 0.985 131 E CA 1.350 57.767 56.400 0.028 0.000 0.814 131 E CB -0.434 29.278 29.700 0.020 0.000 0.752 131 E HN 0.576 nan 8.360 nan 0.000 0.466 132 A N 0.977 123.815 122.820 0.030 0.000 2.119 132 A HA 0.001 4.322 4.320 0.001 0.000 0.217 132 A C 1.256 178.860 177.584 0.033 0.000 1.153 132 A CA 0.186 52.239 52.037 0.027 0.000 0.692 132 A CB 0.123 19.140 19.000 0.028 0.000 0.799 132 A HN 0.022 nan 8.150 nan 0.000 0.458 133 V N 1.914 121.853 119.914 0.041 0.000 2.389 133 V HA 0.125 4.245 4.120 0.001 0.000 0.264 133 V C 0.113 176.243 176.094 0.059 0.000 1.049 133 V CA -0.191 62.140 62.300 0.052 0.000 0.932 133 V CB 0.626 32.476 31.823 0.045 0.000 1.011 133 V HN 0.342 nan 8.190 nan 0.000 0.475 134 K N 3.867 124.313 120.400 0.077 0.000 2.172 134 K HA 0.715 5.035 4.320 0.001 0.000 0.276 134 K C -0.997 175.677 176.600 0.124 0.000 1.013 134 K CA -0.518 55.818 56.287 0.082 0.000 0.913 134 K CB 2.003 34.512 32.500 0.015 0.000 1.055 134 K HN 0.456 nan 8.250 nan 0.000 0.461 135 V N 2.504 122.456 119.914 0.064 0.000 2.638 135 V HA 0.237 4.357 4.120 0.001 0.000 0.306 135 V C -0.689 175.306 176.094 -0.165 0.000 1.052 135 V CA -0.995 61.241 62.300 -0.106 0.000 0.885 135 V CB 1.853 33.531 31.823 -0.242 0.000 0.999 135 V HN 0.737 nan 8.190 nan 0.000 0.424 136 E N 3.186 123.238 120.200 -0.247 0.000 2.175 136 E HA 0.651 5.001 4.350 0.001 0.000 0.278 136 E C -1.708 174.709 176.600 -0.306 0.000 0.969 136 E CA -0.392 55.924 56.400 -0.139 0.000 0.796 136 E CB 1.784 31.466 29.700 -0.029 0.000 1.104 136 E HN 0.643 nan 8.360 nan 0.000 0.395 137 Y N 0.383 120.685 120.300 0.002 0.000 2.576 137 Y HA 0.325 4.876 4.550 0.001 0.000 0.346 137 Y C -0.365 175.524 175.900 -0.018 0.000 1.018 137 Y CA -1.190 56.902 58.100 -0.014 0.000 1.050 137 Y CB 1.768 40.217 38.460 -0.017 0.000 1.280 137 Y HN 0.342 nan 8.280 nan 0.000 0.474 138 D N 1.959 122.443 120.400 0.141 0.000 2.441 138 D HA 0.176 4.817 4.640 0.001 0.000 0.231 138 D C -0.724 175.588 176.300 0.021 0.000 1.073 138 D CA -0.399 53.634 54.000 0.055 0.000 0.850 138 D CB 1.161 41.971 40.800 0.017 0.000 1.062 138 D HN 0.574 nan 8.370 nan 0.000 0.524 139 E N 1.689 121.892 120.200 0.006 0.000 2.413 139 E HA 0.185 4.536 4.350 0.001 0.000 0.263 139 E C -0.059 176.486 176.600 -0.091 0.000 1.015 139 E CA 0.209 56.585 56.400 -0.039 0.000 0.916 139 E CB 1.252 30.938 29.700 -0.023 0.000 0.947 139 E HN 0.323 nan 8.360 nan 0.000 0.440 140 L N 3.601 124.722 121.223 -0.171 0.000 2.341 140 L HA 0.423 4.763 4.340 0.001 0.000 0.267 140 L C -2.182 174.601 176.870 -0.146 0.000 1.009 140 L CA -2.508 52.168 54.840 -0.273 0.000 0.819 140 L CB 1.873 43.509 42.059 -0.704 0.000 1.323 140 L HN 0.379 nan 8.230 nan 0.000 0.425 141 P HA 0.034 nan 4.420 nan 0.000 0.263 141 P C -0.483 176.927 177.300 0.184 0.000 1.195 141 P CA -0.030 63.102 63.100 0.053 0.000 0.762 141 P CB 0.705 32.436 31.700 0.053 0.000 0.799 142 V N 4.458 124.459 119.914 0.144 0.000 2.881 142 V HA 0.160 4.280 4.120 0.001 0.000 0.303 142 V C 0.725 176.873 176.094 0.090 0.000 1.070 142 V CA -0.257 62.132 62.300 0.148 0.000 1.074 142 V CB 1.529 33.406 31.823 0.090 0.000 1.012 142 V HN 0.299 nan 8.190 nan 0.000 0.482 143 V N 4.917 124.854 119.914 0.038 0.000 2.409 143 V HA 0.370 4.490 4.120 0.001 0.000 0.290 143 V C 0.447 176.497 176.094 -0.073 0.000 1.017 143 V CA -0.120 62.178 62.300 -0.003 0.000 0.841 143 V CB 1.292 33.120 31.823 0.009 0.000 1.003 143 V HN 0.841 nan 8.190 nan 0.000 0.426 144 I N 0.042 120.562 120.570 -0.084 0.000 4.312 144 I HA 0.509 4.679 4.170 0.001 0.000 0.324 144 I C 0.381 176.413 176.117 -0.140 0.000 1.298 144 I CA 0.153 61.357 61.300 -0.161 0.000 1.231 144 I CB 0.836 38.764 38.000 -0.120 0.000 1.152 144 I HN 0.547 nan 8.210 nan 0.000 0.421 145 D N 2.027 122.368 120.400 -0.099 0.000 2.256 145 D HA 0.357 4.997 4.640 0.001 0.000 0.240 145 D C -1.867 174.349 176.300 -0.141 0.000 1.062 145 D CA -2.182 51.749 54.000 -0.114 0.000 0.832 145 D CB 2.348 43.088 40.800 -0.100 0.000 1.135 145 D HN -0.174 nan 8.370 nan 0.000 0.484 146 P HA -0.160 nan 4.420 nan 0.000 0.216 146 P C 1.337 178.511 177.300 -0.210 0.000 1.153 146 P CA 0.724 63.707 63.100 -0.196 0.000 0.858 146 P CB 0.213 31.756 31.700 -0.262 0.000 0.789 147 I N -0.229 120.201 120.570 -0.234 0.000 2.202 147 I HA -0.190 3.980 4.170 0.001 0.000 0.242 147 I C 1.441 177.460 176.117 -0.163 0.000 1.091 147 I CA 1.803 62.984 61.300 -0.197 0.000 1.368 147 I CB -1.603 36.287 38.000 -0.184 0.000 1.058 147 I HN -0.022 nan 8.210 nan 0.000 0.410 148 D N 1.099 121.420 120.400 -0.132 0.000 2.264 148 D HA -0.061 4.579 4.640 0.001 0.000 0.208 148 D C 2.210 178.452 176.300 -0.096 0.000 0.966 148 D CA 1.138 55.082 54.000 -0.093 0.000 0.864 148 D CB -0.014 40.749 40.800 -0.062 0.000 0.933 148 D HN 0.294 nan 8.370 nan 0.000 0.499 149 A N 0.008 122.755 122.820 -0.121 0.000 2.015 149 A HA -0.033 4.287 4.320 0.001 0.000 0.219 149 A C 1.908 179.324 177.584 -0.280 0.000 1.163 149 A CA 0.702 52.670 52.037 -0.115 0.000 0.646 149 A CB -0.394 18.552 19.000 -0.089 0.000 0.806 149 A HN 0.252 nan 8.150 nan 0.000 0.448 150 L N -0.663 120.323 121.223 -0.396 0.000 2.592 150 L HA 0.097 4.437 4.340 0.001 0.000 0.227 150 L C 0.321 176.819 176.870 -0.621 0.000 1.127 150 L CA -0.126 54.252 54.840 -0.770 0.000 0.884 150 L CB -0.136 41.619 42.059 -0.507 0.000 1.065 150 L HN 0.182 nan 8.230 nan 0.000 0.457 151 K N 0.870 121.110 120.400 -0.266 0.000 2.355 151 K HA 0.056 4.377 4.320 0.001 0.000 0.270 151 K C -1.458 175.209 176.600 0.112 0.000 1.003 151 K CA -1.386 54.860 56.287 -0.067 0.000 0.957 151 K CB 0.677 33.161 32.500 -0.027 0.000 0.939 151 K HN -0.246 nan 8.250 nan 0.000 0.482 152 P HA -0.230 nan 4.420 nan 0.000 0.216 152 P C 0.204 177.624 177.300 0.200 0.000 1.157 152 P CA 1.590 64.803 63.100 0.188 0.000 0.880 152 P CB 0.083 31.841 31.700 0.096 0.000 0.791 153 D N -1.399 119.086 120.400 0.140 0.000 2.349 153 D HA 0.136 4.777 4.640 0.001 0.000 0.224 153 D C 0.387 176.785 176.300 0.163 0.000 1.029 153 D CA -0.147 53.931 54.000 0.130 0.000 0.879 153 D CB -0.818 40.029 40.800 0.078 0.000 0.906 153 D HN 0.082 nan 8.370 nan 0.000 0.528 154 A N 1.860 124.811 122.820 0.219 0.000 2.511 154 A HA 0.327 4.647 4.320 0.001 0.000 0.242 154 A C -1.840 175.953 177.584 0.348 0.000 1.069 154 A CA -1.057 51.123 52.037 0.239 0.000 0.763 154 A CB -0.074 19.048 19.000 0.203 0.000 1.001 154 A HN 0.162 nan 8.150 nan 0.000 0.498 155 P HA 0.123 nan 4.420 nan 0.000 0.269 155 P C -0.461 176.987 177.300 0.247 0.000 1.215 155 P CA -0.053 63.175 63.100 0.212 0.000 0.780 155 P CB 0.492 32.319 31.700 0.211 0.000 0.898 156 V N 4.295 124.243 119.914 0.057 0.000 2.427 156 V HA 0.026 4.146 4.120 0.001 0.000 0.268 156 V C 1.823 178.019 176.094 0.170 0.000 1.046 156 V CA 0.153 62.424 62.300 -0.047 0.000 0.970 156 V CB 0.195 31.881 31.823 -0.229 0.000 1.001 156 V HN 0.474 nan 8.190 nan 0.000 0.476 157 L N 4.176 125.521 121.223 0.203 0.000 2.121 157 L HA 0.224 4.564 4.340 0.001 0.000 0.200 157 L C 1.208 178.231 176.870 0.254 0.000 1.077 157 L CA 0.528 55.461 54.840 0.156 0.000 0.766 157 L CB -0.178 41.916 42.059 0.059 0.000 0.931 157 L HN 0.467 nan 8.230 nan 0.000 0.452 158 R N 1.766 122.349 120.500 0.138 0.000 2.891 158 R HA 0.093 4.433 4.340 0.001 0.000 0.248 158 R C 0.614 176.994 176.300 0.133 0.000 1.439 158 R CA 0.082 56.248 56.100 0.109 0.000 1.288 158 R CB 0.144 30.368 30.300 -0.126 0.000 1.212 158 R HN 0.397 nan 8.270 nan 0.000 0.605 159 E N 0.805 121.117 120.200 0.186 0.000 2.347 159 E HA -0.154 4.196 4.350 0.001 0.000 0.196 159 E C 1.119 177.764 176.600 0.075 0.000 1.008 159 E CA 0.911 57.379 56.400 0.113 0.000 0.852 159 E CB 0.290 30.065 29.700 0.126 0.000 0.783 159 E HN 0.535 nan 8.360 nan 0.000 0.505 160 D N 1.314 121.757 120.400 0.072 0.000 2.183 160 D HA -0.149 4.492 4.640 0.001 0.000 0.203 160 D C 1.384 177.621 176.300 -0.104 0.000 0.969 160 D CA 0.738 54.699 54.000 -0.065 0.000 0.842 160 D CB -0.045 40.596 40.800 -0.265 0.000 0.957 160 D HN 0.213 nan 8.370 nan 0.000 0.484 161 L N -1.059 120.133 121.223 -0.052 0.000 2.978 161 L HA 0.648 4.988 4.340 0.001 0.000 0.239 161 L C 0.205 177.087 176.870 0.021 0.000 1.293 161 L CA -0.719 54.105 54.840 -0.027 0.000 1.085 161 L CB -0.884 41.173 42.059 -0.003 0.000 1.432 161 L HN -0.146 nan 8.230 nan 0.000 0.512 162 A N 0.329 123.157 122.820 0.014 0.000 2.454 162 A HA 0.556 4.876 4.320 0.001 0.000 0.260 162 A C 1.372 178.964 177.584 0.013 0.000 1.106 162 A CA 0.681 52.731 52.037 0.022 0.000 0.780 162 A CB 0.063 19.069 19.000 0.010 0.000 1.044 162 A HN 1.093 nan 8.150 nan 0.000 0.498 163 G N 1.868 110.682 108.800 0.024 0.000 2.179 163 G HA2 -0.177 3.784 3.960 0.001 0.000 0.220 163 G HA3 -0.177 3.784 3.960 0.001 0.000 0.220 163 G C 0.064 174.976 174.900 0.020 0.000 0.990 163 G CA 0.222 45.333 45.100 0.017 0.000 0.646 163 G HN 0.764 nan 8.290 nan 0.000 0.517 164 K N 1.300 121.719 120.400 0.031 0.000 2.263 164 K HA 0.475 4.796 4.320 0.001 0.000 0.272 164 K C 1.322 177.952 176.600 0.049 0.000 1.033 164 K CA 0.170 56.476 56.287 0.032 0.000 0.884 164 K CB 1.192 33.709 32.500 0.028 0.000 1.107 164 K HN 0.248 nan 8.250 nan 0.000 0.460 165 T N -2.128 112.451 114.554 0.041 0.000 3.129 165 T HA -0.006 4.345 4.350 0.001 0.000 0.251 165 T C 0.698 175.431 174.700 0.055 0.000 1.117 165 T CA -0.215 61.916 62.100 0.051 0.000 1.034 165 T CB -0.101 68.791 68.868 0.039 0.000 0.968 165 T HN 0.467 nan 8.240 nan 0.000 0.526 166 S N -1.034 114.693 115.700 0.045 0.000 2.618 166 S HA 0.852 5.322 4.470 0.001 0.000 0.277 166 S C -0.209 174.413 174.600 0.035 0.000 1.138 166 S CA -0.577 57.648 58.200 0.041 0.000 0.844 166 S CB 1.813 65.029 63.200 0.026 0.000 1.127 166 S HN 0.484 nan 8.310 nan 0.000 0.474 167 G N -0.349 108.470 108.800 0.031 0.000 3.243 167 G HA2 0.677 4.637 3.960 0.001 0.000 0.248 167 G HA3 0.677 4.637 3.960 0.001 0.000 0.248 167 G C 0.633 175.515 174.900 -0.031 0.000 1.267 167 G CA -0.309 44.807 45.100 0.026 0.000 0.906 167 G HN 1.237 nan 8.290 nan 0.000 0.592 168 A N -1.261 121.512 122.820 -0.078 0.000 2.119 168 A HA 0.157 4.477 4.320 0.001 0.000 0.217 168 A C 1.104 178.368 177.584 -0.533 0.000 1.153 168 A CA 0.994 52.860 52.037 -0.285 0.000 0.692 168 A CB -0.363 18.435 19.000 -0.336 0.000 0.799 168 A HN 0.526 nan 8.150 nan 0.000 0.458 169 H N -0.981 118.060 119.070 -0.049 0.000 2.492 169 H HA 0.408 4.965 4.556 0.001 0.000 0.264 169 H C 0.886 176.227 175.328 0.022 0.000 1.150 169 H CA 0.467 56.473 56.048 -0.069 0.000 0.962 169 H CB -0.052 29.567 29.762 -0.238 0.000 1.766 169 H HN 0.604 nan 8.280 nan 0.000 0.589 170 G N 2.032 110.877 108.800 0.076 0.000 2.422 170 G HA2 -0.170 3.790 3.960 0.001 0.000 0.607 170 G HA3 -0.170 3.790 3.960 0.001 0.000 0.607 170 G C -2.863 172.085 174.900 0.080 0.000 1.270 170 G CA -1.187 43.964 45.100 0.085 0.000 0.992 170 G HN 0.036 nan 8.290 nan 0.000 0.499 171 P HA 0.344 nan 4.420 nan 0.000 0.271 171 P C -0.609 176.764 177.300 0.123 0.000 1.218 171 P CA 0.143 63.299 63.100 0.093 0.000 0.780 171 P CB 0.575 32.330 31.700 0.092 0.000 0.901 172 R N 2.147 122.722 120.500 0.126 0.000 2.393 172 R HA 0.219 4.559 4.340 0.001 0.000 0.315 172 R C 0.883 177.348 176.300 0.275 0.000 0.952 172 R CA -0.439 55.778 56.100 0.195 0.000 0.842 172 R CB 1.356 31.713 30.300 0.094 0.000 1.163 172 R HN 0.477 nan 8.270 nan 0.000 0.450 173 E N 0.610 121.069 120.200 0.431 0.000 2.371 173 E HA -0.053 4.297 4.350 0.001 0.000 0.194 173 E C -0.078 176.602 176.600 0.132 0.000 1.012 173 E CA 0.666 57.160 56.400 0.156 0.000 0.860 173 E CB 0.302 29.990 29.700 -0.019 0.000 0.811 173 E HN 0.427 nan 8.360 nan 0.000 0.502 174 H N -1.361 117.756 119.070 0.079 0.000 2.980 174 H HA 0.104 4.660 4.556 0.001 0.000 0.367 174 H C 0.895 176.246 175.328 0.040 0.000 1.206 174 H CA -0.703 55.328 56.048 -0.029 0.000 1.126 174 H CB 0.937 30.608 29.762 -0.152 0.000 1.838 174 H HN 0.028 nan 8.280 nan 0.000 0.552 175 H N 1.733 120.770 119.070 -0.055 0.000 2.518 175 H HA -0.038 4.519 4.556 0.001 0.000 0.289 175 H C -0.012 175.534 175.328 0.363 0.000 1.051 175 H CA 0.948 57.075 56.048 0.132 0.000 1.280 175 H CB 0.292 30.062 29.762 0.014 0.000 1.380 175 H HN 0.391 nan 8.280 nan 0.000 0.566 176 N N 0.131 119.111 118.700 0.468 0.000 2.236 176 N HA -0.044 4.697 4.740 0.001 0.000 0.196 176 N C 0.025 175.639 175.510 0.173 0.000 1.114 176 N CA -0.040 53.257 53.050 0.412 0.000 0.859 176 N CB 0.173 38.804 38.487 0.239 0.000 0.982 176 N HN 0.570 nan 8.380 nan 0.000 0.493 177 H N 0.889 119.981 119.070 0.036 0.000 2.690 177 H HA 0.168 4.724 4.556 0.001 0.000 0.314 177 H C 0.893 176.100 175.328 -0.201 0.000 1.069 177 H CA -0.111 55.860 56.048 -0.128 0.000 1.436 177 H CB 0.918 30.656 29.762 -0.041 0.000 1.462 177 H HN -0.053 nan 8.280 nan 0.000 0.511 178 I N 5.509 125.678 120.570 -0.670 0.000 2.512 178 I HA 0.024 4.194 4.170 0.001 0.000 0.247 178 I C -0.083 175.765 176.117 -0.449 0.000 1.094 178 I CA 0.548 61.477 61.300 -0.618 0.000 1.427 178 I CB 0.180 37.776 38.000 -0.674 0.000 1.149 178 I HN 0.408 nan 8.210 nan 0.000 0.438 179 F N -1.691 117.847 119.950 -0.687 0.000 2.900 179 F HA 0.591 5.119 4.527 0.001 0.000 0.321 179 F C -1.314 174.426 175.800 -0.101 0.000 1.160 179 F CA -1.010 56.740 58.000 -0.416 0.000 0.890 179 F CB 1.075 39.981 39.000 -0.156 0.000 1.334 179 F HN -0.454 nan 8.300 nan 0.000 0.459 180 T N 1.337 116.113 114.554 0.371 0.000 2.937 180 T HA 0.390 4.741 4.350 0.001 0.000 0.297 180 T C -2.257 172.728 174.700 0.475 0.000 0.991 180 T CA -0.254 62.067 62.100 0.368 0.000 0.990 180 T CB 1.083 70.124 68.868 0.289 0.000 0.991 180 T HN 0.797 nan 8.240 nan 0.000 0.440 181 W N 2.528 123.995 121.300 0.279 0.000 2.844 181 W HA 0.734 5.394 4.660 0.001 0.000 0.340 181 W C -0.460 176.134 176.519 0.125 0.000 1.093 181 W CA -0.374 57.077 57.345 0.177 0.000 1.212 181 W CB 1.666 31.209 29.460 0.139 0.000 1.422 181 W HN 0.878 nan 8.180 nan 0.000 0.515 182 G N 1.658 109.968 108.800 -0.817 0.000 2.690 182 G HA2 0.850 4.810 3.960 0.001 0.000 0.291 182 G HA3 0.850 4.810 3.960 0.001 0.000 0.291 182 G C -2.079 172.125 174.900 -1.161 0.000 1.403 182 G CA -0.377 44.244 45.100 -0.799 0.000 0.864 182 G HN 1.103 nan 8.290 nan 0.000 0.480 183 A N -0.913 121.470 122.820 -0.728 0.000 2.594 183 A HA 1.112 5.432 4.320 0.001 0.000 0.295 183 A C 0.210 177.905 177.584 0.184 0.000 1.071 183 A CA 0.373 52.242 52.037 -0.281 0.000 0.685 183 A CB 1.422 20.263 19.000 -0.265 0.000 1.285 183 A HN 2.785 nan 8.150 nan 0.000 0.405 184 G N 0.210 109.164 108.800 0.257 0.000 2.655 184 G HA2 0.246 4.206 3.960 0.001 0.000 0.680 184 G HA3 0.246 4.206 3.960 0.001 0.000 0.680 184 G C -0.986 174.004 174.900 0.151 0.000 1.302 184 G CA -0.081 45.085 45.100 0.110 0.000 0.872 184 G HN 1.128 nan 8.290 nan 0.000 0.540 185 D N 0.055 120.487 120.400 0.053 0.000 2.365 185 D HA 0.390 5.031 4.640 0.001 0.000 0.237 185 D C 1.302 177.618 176.300 0.027 0.000 1.190 185 D CA -0.358 53.667 54.000 0.041 0.000 0.867 185 D CB 1.513 42.311 40.800 -0.004 0.000 1.050 185 D HN 0.573 nan 8.370 nan 0.000 0.491 186 K N 3.846 124.203 120.400 -0.073 0.000 1.984 186 K HA -0.086 4.234 4.320 0.001 0.000 0.209 186 K C 1.670 178.172 176.600 -0.164 0.000 1.046 186 K CA 1.656 57.733 56.287 -0.350 0.000 0.934 186 K CB -0.294 31.856 32.500 -0.583 0.000 0.717 186 K HN 0.289 nan 8.250 nan 0.000 0.438 187 A N 0.782 123.543 122.820 -0.099 0.000 1.908 187 A HA -0.081 4.239 4.320 0.001 0.000 0.218 187 A C 2.433 180.006 177.584 -0.019 0.000 1.181 187 A CA 2.214 54.220 52.037 -0.052 0.000 0.627 187 A CB -1.228 17.749 19.000 -0.038 0.000 0.818 187 A HN 0.516 nan 8.150 nan 0.000 0.445 188 A N -1.227 121.586 122.820 -0.010 0.000 1.898 188 A HA -0.053 4.268 4.320 0.001 0.000 0.216 188 A C 2.309 179.918 177.584 0.042 0.000 1.181 188 A CA 2.231 54.273 52.037 0.008 0.000 0.620 188 A CB -1.204 17.796 19.000 -0.000 0.000 0.819 188 A HN 0.432 nan 8.150 nan 0.000 0.442 189 T N 0.296 114.887 114.554 0.062 0.000 2.708 189 T HA -0.124 4.227 4.350 0.001 0.000 0.266 189 T C 1.516 176.357 174.700 0.235 0.000 1.037 189 T CA 1.546 63.744 62.100 0.163 0.000 1.146 189 T CB -0.440 68.534 68.868 0.176 0.000 0.865 189 T HN 0.443 nan 8.240 nan 0.000 0.435 190 D N 1.325 121.791 120.400 0.110 0.000 2.149 190 D HA -0.038 4.602 4.640 0.001 0.000 0.198 190 D C 2.296 178.672 176.300 0.126 0.000 0.990 190 D CA 1.192 55.253 54.000 0.102 0.000 0.839 190 D CB -0.457 40.350 40.800 0.011 0.000 0.948 190 D HN 0.408 nan 8.370 nan 0.000 0.460 191 A N 0.425 123.293 122.820 0.081 0.000 1.902 191 A HA -0.136 4.184 4.320 0.001 0.000 0.217 191 A C 2.529 180.146 177.584 0.054 0.000 1.181 191 A CA 1.218 53.287 52.037 0.054 0.000 0.623 191 A CB -0.688 18.328 19.000 0.026 0.000 0.818 191 A HN 0.154 nan 8.150 nan 0.000 0.443 192 V N -1.424 118.525 119.914 0.058 0.000 2.307 192 V HA -0.223 3.897 4.120 0.001 0.000 0.245 192 V C 2.279 178.333 176.094 -0.066 0.000 1.045 192 V CA 1.998 64.280 62.300 -0.031 0.000 1.024 192 V CB -0.951 30.814 31.823 -0.097 0.000 0.651 192 V HN 0.567 nan 8.190 nan 0.000 0.449 193 F N 0.594 120.550 119.950 0.010 0.000 2.293 193 F HA -0.060 4.468 4.527 0.001 0.000 0.300 193 F C 2.361 178.167 175.800 0.011 0.000 1.086 193 F CA 1.140 59.149 58.000 0.015 0.000 1.375 193 F CB -0.603 38.412 39.000 0.025 0.000 1.045 193 F HN 0.089 nan 8.300 nan 0.000 0.516 194 A N -0.040 122.879 122.820 0.164 0.000 1.969 194 A HA -0.140 4.180 4.320 0.001 0.000 0.218 194 A C 1.701 179.316 177.584 0.052 0.000 1.169 194 A CA 1.826 53.919 52.037 0.094 0.000 0.635 194 A CB -0.366 18.673 19.000 0.066 0.000 0.810 194 A HN 0.370 nan 8.150 nan 0.000 0.445 195 N N -0.936 117.779 118.700 0.025 0.000 2.159 195 N HA 0.260 5.000 4.740 0.001 0.000 0.217 195 N C 0.303 175.799 175.510 -0.023 0.000 1.223 195 N CA 0.551 53.602 53.050 0.002 0.000 0.896 195 N CB 0.159 38.644 38.487 -0.004 0.000 1.064 195 N HN 0.377 nan 8.380 nan 0.000 0.518 196 A N 2.717 125.506 122.820 -0.051 0.000 2.531 196 A HA 0.205 4.525 4.320 0.001 0.000 0.236 196 A C -0.608 176.942 177.584 -0.056 0.000 1.062 196 A CA -0.581 51.402 52.037 -0.091 0.000 0.760 196 A CB 0.345 19.225 19.000 -0.199 0.000 0.995 196 A HN 0.025 nan 8.150 nan 0.000 0.501 197 P HA -0.005 nan 4.420 nan 0.000 0.218 197 P C 0.107 177.389 177.300 -0.030 0.000 1.152 197 P CA 0.950 64.029 63.100 -0.034 0.000 0.826 197 P CB 0.009 31.688 31.700 -0.035 0.000 0.790 198 V N 0.176 120.063 119.914 -0.046 0.000 2.495 198 V HA 0.440 4.561 4.120 0.001 0.000 0.298 198 V C -0.163 175.911 176.094 -0.033 0.000 1.031 198 V CA -0.154 62.126 62.300 -0.032 0.000 0.871 198 V CB 1.795 33.596 31.823 -0.038 0.000 0.988 198 V HN -0.037 nan 8.190 nan 0.000 0.432 199 T N 3.902 118.464 114.554 0.014 0.000 2.991 199 T HA 0.586 4.936 4.350 0.001 0.000 0.303 199 T C -0.723 174.034 174.700 0.094 0.000 1.015 199 T CA -0.470 61.671 62.100 0.069 0.000 1.007 199 T CB 1.673 70.609 68.868 0.114 0.000 1.034 199 T HN 0.719 nan 8.240 nan 0.000 0.446 200 V N 0.545 120.536 119.914 0.127 0.000 2.680 200 V HA 0.987 5.107 4.120 0.001 0.000 0.309 200 V C -0.326 175.852 176.094 0.140 0.000 1.052 200 V CA -0.724 61.642 62.300 0.109 0.000 0.908 200 V CB 2.007 33.875 31.823 0.076 0.000 1.001 200 V HN 0.773 nan 8.190 nan 0.000 0.431 201 S N 2.009 117.773 115.700 0.107 0.000 2.547 201 S HA 0.772 5.242 4.470 0.001 0.000 0.281 201 S C -1.138 173.516 174.600 0.089 0.000 1.118 201 S CA -0.430 57.830 58.200 0.099 0.000 0.947 201 S CB 1.846 65.099 63.200 0.088 0.000 1.053 201 S HN 1.135 nan 8.310 nan 0.000 0.482 202 Q N 2.410 122.262 119.800 0.087 0.000 2.268 202 Q HA 0.388 4.728 4.340 0.001 0.000 0.266 202 Q C -1.788 174.263 176.000 0.085 0.000 1.006 202 Q CA -0.496 55.352 55.803 0.076 0.000 0.824 202 Q CB 1.182 29.933 28.738 0.022 0.000 1.306 202 Q HN 0.847 nan 8.270 nan 0.000 0.424 203 H N 4.234 123.328 119.070 0.040 0.000 2.473 203 H HA 0.754 5.311 4.556 0.001 0.000 0.327 203 H C -0.728 174.623 175.328 0.038 0.000 1.105 203 H CA -0.249 55.837 56.048 0.063 0.000 1.280 203 H CB 0.673 30.486 29.762 0.085 0.000 1.450 203 H HN 0.707 nan 8.280 nan 0.000 0.492 204 M N 3.896 123.216 119.600 -0.467 0.000 2.470 204 M HA 0.320 4.801 4.480 0.001 0.000 0.285 204 M C -2.113 174.129 176.300 -0.098 0.000 1.213 204 M CA -1.249 53.913 55.300 -0.229 0.000 0.901 204 M CB 2.354 34.735 32.600 -0.365 0.000 1.718 204 M HN 0.542 nan 8.290 nan 0.000 0.469 205 Y N 2.183 122.471 120.300 -0.021 0.000 2.328 205 Y HA 0.519 5.070 4.550 0.001 0.000 0.336 205 Y C -2.110 173.776 175.900 -0.024 0.000 0.960 205 Y CA -1.361 56.698 58.100 -0.068 0.000 1.134 205 Y CB 1.141 39.570 38.460 -0.051 0.000 1.166 205 Y HN 0.684 nan 8.280 nan 0.000 0.464 206 Y N 9.371 129.340 120.300 -0.553 0.000 2.594 206 Y HA 0.468 5.019 4.550 0.001 0.000 0.342 206 Y C -2.401 172.925 175.900 -0.957 0.000 1.010 206 Y CA -3.468 54.246 58.100 -0.643 0.000 1.270 206 Y CB 0.488 38.707 38.460 -0.402 0.000 1.125 206 Y HN 0.541 nan 8.280 nan 0.000 0.513 207 P HA -0.014 nan 4.420 nan 0.000 0.266 207 P C -0.538 176.665 177.300 -0.163 0.000 1.193 207 P CA 0.059 62.756 63.100 -0.673 0.000 0.770 207 P CB 0.478 31.989 31.700 -0.315 0.000 0.836 208 R N 2.608 123.103 120.500 -0.007 0.000 2.421 208 R HA 0.264 4.604 4.340 0.001 0.000 0.305 208 R C -0.280 176.133 176.300 0.190 0.000 1.039 208 R CA -0.055 56.111 56.100 0.111 0.000 1.003 208 R CB -0.318 30.026 30.300 0.074 0.000 0.959 208 R HN 0.367 nan 8.270 nan 0.000 0.427 209 V N 0.820 120.899 119.914 0.275 0.000 3.158 209 V HA 0.527 4.647 4.120 0.001 0.000 0.311 209 V C -0.865 175.491 176.094 0.436 0.000 1.181 209 V CA -1.011 61.528 62.300 0.398 0.000 1.054 209 V CB 1.931 34.006 31.823 0.420 0.000 1.085 209 V HN 0.769 nan 8.190 nan 0.000 0.446 210 H N 1.733 121.012 119.070 0.348 0.000 2.589 210 H HA 0.492 5.049 4.556 0.001 0.000 0.351 210 H C -2.243 172.924 175.328 -0.269 0.000 1.074 210 H CA -1.715 54.351 56.048 0.031 0.000 1.203 210 H CB 3.113 32.727 29.762 -0.247 0.000 1.558 210 H HN 0.490 nan 8.280 nan 0.000 0.522 211 P HA -0.162 nan 4.420 nan 0.000 0.218 211 P C 0.678 177.689 177.300 -0.482 0.000 1.146 211 P CA 0.706 63.208 63.100 -0.997 0.000 0.813 211 P CB -0.168 31.240 31.700 -0.487 0.000 0.778 212 C N 1.222 120.547 119.300 0.041 0.000 3.069 212 C HA -0.084 4.376 4.460 0.001 0.000 0.249 212 C C -1.682 173.304 174.990 -0.006 0.000 1.370 212 C CA -0.967 58.072 59.018 0.034 0.000 2.276 212 C CB -2.488 25.246 27.740 -0.011 0.000 1.466 212 C HN 0.333 nan 8.230 nan 0.000 0.470 213 P HA 0.133 nan 4.420 nan 0.000 0.271 213 P C 0.877 178.220 177.300 0.071 0.000 1.218 213 P CA -0.099 63.118 63.100 0.195 0.000 0.780 213 P CB 0.696 32.548 31.700 0.255 0.000 0.901 214 L N 1.549 122.810 121.223 0.063 0.000 2.042 214 L HA -0.105 4.235 4.340 0.001 0.000 0.210 214 L C 1.207 178.041 176.870 -0.061 0.000 1.076 214 L CA 1.752 56.581 54.840 -0.018 0.000 0.749 214 L CB -0.740 41.299 42.059 -0.034 0.000 0.893 214 L HN 0.519 nan 8.230 nan 0.000 0.432 215 E N -0.121 120.042 120.200 -0.062 0.000 2.200 215 E HA 0.195 4.545 4.350 0.001 0.000 0.283 215 E C -0.136 176.432 176.600 -0.053 0.000 1.015 215 E CA -0.086 56.255 56.400 -0.098 0.000 0.819 215 E CB 0.722 30.346 29.700 -0.126 0.000 1.081 215 E HN 0.358 nan 8.360 nan 0.000 0.397 216 T N 0.795 115.299 114.554 -0.084 0.000 2.732 216 T HA 0.179 4.529 4.350 0.001 0.000 0.287 216 T C 0.639 175.293 174.700 -0.076 0.000 0.993 216 T CA -0.802 61.243 62.100 -0.092 0.000 0.966 216 T CB 0.508 69.281 68.868 -0.158 0.000 1.047 216 T HN 0.493 nan 8.240 nan 0.000 0.527 217 C N 0.750 119.996 119.300 -0.090 0.000 2.604 217 C HA 0.803 5.264 4.460 0.001 0.000 0.396 217 C C 1.189 176.054 174.990 -0.208 0.000 1.282 217 C CA 0.404 59.424 59.018 0.004 0.000 2.292 217 C CB -0.244 27.574 27.740 0.130 0.000 2.633 217 C HN 1.268 nan 8.230 nan 0.000 0.620 218 G N -0.183 108.665 108.800 0.080 0.000 2.466 218 G HA2 0.650 4.610 3.960 0.001 0.000 0.291 218 G HA3 0.650 4.610 3.960 0.001 0.000 0.291 218 G C -1.252 173.846 174.900 0.330 0.000 1.460 218 G CA 0.156 45.259 45.100 0.005 0.000 0.791 218 G HN 1.449 nan 8.290 nan 0.000 0.505 219 C N -1.598 117.907 119.300 0.342 0.000 3.311 219 C HA 0.849 5.309 4.460 0.001 0.000 0.325 219 C C -1.129 174.004 174.990 0.239 0.000 1.352 219 C CA -0.903 58.286 59.018 0.286 0.000 1.308 219 C CB 1.220 29.154 27.740 0.324 0.000 1.619 219 C HN 1.074 nan 8.230 nan 0.000 0.469 220 V N 2.323 122.370 119.914 0.222 0.000 2.385 220 V HA 0.696 4.816 4.120 0.001 0.000 0.277 220 V C 0.657 176.880 176.094 0.214 0.000 1.012 220 V CA 0.315 62.743 62.300 0.213 0.000 0.832 220 V CB 0.867 32.825 31.823 0.225 0.000 1.028 220 V HN 1.400 nan 8.190 nan 0.000 0.436 221 A N 3.245 126.160 122.820 0.160 0.000 2.327 221 A HA 0.811 5.132 4.320 0.001 0.000 0.283 221 A C 0.215 177.873 177.584 0.123 0.000 1.127 221 A CA -0.283 51.825 52.037 0.119 0.000 0.810 221 A CB 1.188 20.253 19.000 0.109 0.000 1.066 221 A HN 0.837 nan 8.150 nan 0.000 0.492 222 S N 1.771 117.537 115.700 0.109 0.000 2.673 222 S HA 0.483 4.954 4.470 0.001 0.000 0.256 222 S C -1.460 173.219 174.600 0.132 0.000 1.141 222 S CA -0.429 57.841 58.200 0.116 0.000 1.109 222 S CB 0.057 63.322 63.200 0.108 0.000 1.101 222 S HN 0.784 nan 8.310 nan 0.000 0.471 223 F N 4.523 124.484 119.950 0.018 0.000 2.405 223 F HA 0.518 5.045 4.527 0.001 0.000 0.355 223 F C -0.065 175.745 175.800 0.017 0.000 1.121 223 F CA -0.837 57.170 58.000 0.012 0.000 1.112 223 F CB 0.955 39.962 39.000 0.012 0.000 1.126 223 F HN 0.486 nan 8.300 nan 0.000 0.481 224 D N 9.109 129.100 120.400 -0.682 0.000 2.428 224 D HA 0.249 4.889 4.640 0.001 0.000 0.221 224 D C -1.715 174.115 176.300 -0.784 0.000 1.123 224 D CA -2.577 51.118 54.000 -0.509 0.000 0.869 224 D CB 1.525 42.148 40.800 -0.295 0.000 1.032 224 D HN 0.294 nan 8.370 nan 0.000 0.506 225 P HA -0.119 nan 4.420 nan 0.000 0.222 225 P C 1.665 178.885 177.300 -0.134 0.000 1.147 225 P CA 0.706 63.678 63.100 -0.214 0.000 0.790 225 P CB 0.651 32.383 31.700 0.054 0.000 0.780 226 I N 0.211 120.699 120.570 -0.137 0.000 2.162 226 I HA -0.151 4.020 4.170 0.001 0.000 0.238 226 I C 2.396 178.457 176.117 -0.093 0.000 1.076 226 I CA 1.495 62.747 61.300 -0.080 0.000 1.353 226 I CB -0.529 37.434 38.000 -0.061 0.000 1.063 226 I HN -0.136 nan 8.210 nan 0.000 0.408 227 K N 0.717 121.036 120.400 -0.136 0.000 2.432 227 K HA 0.087 4.407 4.320 0.001 0.000 0.196 227 K C 1.159 177.680 176.600 -0.132 0.000 1.038 227 K CA 0.706 56.925 56.287 -0.113 0.000 0.986 227 K CB 0.051 32.486 32.500 -0.108 0.000 0.782 227 K HN 0.508 nan 8.250 nan 0.000 0.485 228 G N 3.269 111.926 108.800 -0.238 0.000 2.198 228 G HA2 -0.247 3.713 3.960 0.001 0.000 0.260 228 G HA3 -0.247 3.713 3.960 0.001 0.000 0.260 228 G C -0.798 174.018 174.900 -0.140 0.000 1.025 228 G CA 0.728 45.716 45.100 -0.186 0.000 0.769 228 G HN 0.535 nan 8.290 nan 0.000 0.507 229 D N -1.352 118.865 120.400 -0.305 0.000 2.671 229 D HA 0.637 5.277 4.640 0.001 0.000 0.232 229 D C -0.394 175.858 176.300 -0.080 0.000 1.114 229 D CA -1.233 52.717 54.000 -0.084 0.000 0.858 229 D CB 1.445 42.224 40.800 -0.036 0.000 1.544 229 D HN 0.397 nan 8.370 nan 0.000 0.471 230 L N 0.604 121.908 121.223 0.135 0.000 2.307 230 L HA 0.692 5.033 4.340 0.001 0.000 0.282 230 L C -0.795 176.086 176.870 0.017 0.000 1.051 230 L CA 0.379 55.314 54.840 0.159 0.000 0.804 230 L CB 1.687 43.889 42.059 0.238 0.000 1.197 230 L HN 0.582 nan 8.230 nan 0.000 0.431 231 T N 3.212 117.749 114.554 -0.028 0.000 2.890 231 T HA 0.486 4.836 4.350 0.001 0.000 0.295 231 T C -0.744 173.838 174.700 -0.197 0.000 0.993 231 T CA -0.463 61.545 62.100 -0.153 0.000 0.979 231 T CB 1.123 69.884 68.868 -0.179 0.000 0.967 231 T HN 0.741 nan 8.240 nan 0.000 0.441 232 T N 3.091 117.484 114.554 -0.269 0.000 2.881 232 T HA 0.589 4.939 4.350 0.001 0.000 0.291 232 T C -1.137 173.387 174.700 -0.294 0.000 0.990 232 T CA -0.578 61.402 62.100 -0.199 0.000 0.976 232 T CB 0.350 69.185 68.868 -0.055 0.000 0.970 232 T HN 0.408 nan 8.240 nan 0.000 0.438 233 Y N 4.514 124.811 120.300 -0.005 0.000 2.319 233 Y HA 0.699 5.249 4.550 0.001 0.000 0.328 233 Y C 0.562 176.447 175.900 -0.026 0.000 1.133 233 Y CA -0.702 57.389 58.100 -0.015 0.000 1.265 233 Y CB 0.941 39.405 38.460 0.007 0.000 1.218 233 Y HN 0.672 nan 8.280 nan 0.000 0.508 234 I N 1.227 121.838 120.570 0.069 0.000 2.908 234 I HA 0.198 4.368 4.170 0.001 0.000 0.300 234 I C -0.551 175.557 176.117 -0.014 0.000 1.385 234 I CA -0.818 60.465 61.300 -0.027 0.000 1.004 234 I CB 2.271 40.130 38.000 -0.235 0.000 1.309 234 I HN 0.651 nan 8.210 nan 0.000 0.449 235 T N 1.938 116.509 114.554 0.028 0.000 4.104 235 T HA 0.272 4.622 4.350 0.001 0.000 0.285 235 T C -0.113 174.622 174.700 0.058 0.000 1.346 235 T CA -0.288 61.862 62.100 0.083 0.000 1.158 235 T CB -0.341 68.626 68.868 0.165 0.000 1.290 235 T HN 0.435 nan 8.240 nan 0.000 0.975 236 S N 1.612 117.304 115.700 -0.013 0.000 2.500 236 S HA 0.321 4.792 4.470 0.001 0.000 0.301 236 S C 0.659 175.264 174.600 0.008 0.000 1.092 236 S CA -0.812 57.375 58.200 -0.021 0.000 1.030 236 S CB 1.699 64.840 63.200 -0.099 0.000 1.031 236 S HN 0.642 nan 8.310 nan 0.000 0.483 237 Q N 2.203 122.028 119.800 0.041 0.000 2.360 237 Q HA 0.348 4.689 4.340 0.001 0.000 0.202 237 Q C 0.137 176.230 176.000 0.154 0.000 0.915 237 Q CA 0.136 55.994 55.803 0.092 0.000 0.943 237 Q CB 0.752 29.574 28.738 0.141 0.000 1.064 237 Q HN 0.668 nan 8.270 nan 0.000 0.511 238 A N 1.078 123.953 122.820 0.093 0.000 3.399 238 A HA 0.241 4.562 4.320 0.001 0.000 0.262 238 A C -2.201 175.388 177.584 0.008 0.000 1.145 238 A CA -0.815 51.283 52.037 0.101 0.000 0.916 238 A CB 0.490 19.596 19.000 0.177 0.000 1.360 238 A HN -0.062 nan 8.150 nan 0.000 0.628 239 P HA -0.211 nan 4.420 nan 0.000 0.216 239 P C 1.031 178.204 177.300 -0.211 0.000 1.150 239 P CA 1.592 64.607 63.100 -0.140 0.000 0.837 239 P CB 0.105 31.695 31.700 -0.182 0.000 0.786 240 H N -0.498 118.440 119.070 -0.219 0.000 2.326 240 H HA -0.056 4.500 4.556 0.001 0.000 0.301 240 H C 2.116 177.290 175.328 -0.256 0.000 1.081 240 H CA 1.290 57.094 56.048 -0.406 0.000 1.334 240 H CB -0.939 28.252 29.762 -0.952 0.000 1.385 240 H HN -0.132 nan 8.280 nan 0.000 0.504 241 V N 0.037 119.928 119.914 -0.038 0.000 2.343 241 V HA -0.229 3.891 4.120 0.001 0.000 0.247 241 V C 2.317 178.447 176.094 0.059 0.000 1.051 241 V CA 1.463 63.814 62.300 0.084 0.000 1.036 241 V CB -0.482 31.391 31.823 0.083 0.000 0.654 241 V HN 0.269 nan 8.190 nan 0.000 0.451 242 V N -0.049 119.865 119.914 -0.000 0.000 2.343 242 V HA -0.248 3.872 4.120 0.001 0.000 0.247 242 V C 2.632 178.723 176.094 -0.005 0.000 1.051 242 V CA 2.162 64.451 62.300 -0.018 0.000 1.036 242 V CB -0.835 30.945 31.823 -0.072 0.000 0.654 242 V HN 0.471 nan 8.190 nan 0.000 0.451 243 R N 0.172 120.661 120.500 -0.018 0.000 2.083 243 R HA -0.177 4.163 4.340 0.001 0.000 0.237 243 R C 2.330 178.672 176.300 0.071 0.000 1.137 243 R CA 2.373 58.477 56.100 0.006 0.000 0.951 243 R CB -0.775 29.514 30.300 -0.018 0.000 0.851 243 R HN 0.553 nan 8.270 nan 0.000 0.434 244 T N 0.786 115.422 114.554 0.137 0.000 2.684 244 T HA -0.109 4.242 4.350 0.001 0.000 0.267 244 T C 1.949 176.704 174.700 0.093 0.000 1.036 244 T CA 1.585 63.778 62.100 0.154 0.000 1.148 244 T CB -0.268 68.740 68.868 0.234 0.000 0.863 244 T HN 0.043 nan 8.240 nan 0.000 0.436 245 V N 1.170 121.131 119.914 0.078 0.000 2.295 245 V HA -0.147 3.974 4.120 0.001 0.000 0.246 245 V C 2.691 178.808 176.094 0.038 0.000 1.049 245 V CA 1.329 63.661 62.300 0.052 0.000 1.024 245 V CB -0.719 31.130 31.823 0.043 0.000 0.648 245 V HN 0.306 nan 8.190 nan 0.000 0.447 246 V N -0.291 119.641 119.914 0.031 0.000 2.343 246 V HA -0.270 3.850 4.120 0.001 0.000 0.247 246 V C 2.691 178.800 176.094 0.025 0.000 1.051 246 V CA 2.340 64.653 62.300 0.022 0.000 1.036 246 V CB -0.686 31.143 31.823 0.011 0.000 0.654 246 V HN 0.637 nan 8.190 nan 0.000 0.451 247 S N -0.623 115.098 115.700 0.036 0.000 2.359 247 S HA -0.256 4.214 4.470 0.001 0.000 0.224 247 S C 2.018 176.636 174.600 0.031 0.000 1.035 247 S CA 2.179 60.402 58.200 0.038 0.000 1.018 247 S CB -0.275 62.957 63.200 0.052 0.000 0.876 247 S HN 0.521 nan 8.310 nan 0.000 0.448 248 M N 0.507 120.127 119.600 0.033 0.000 2.175 248 M HA 0.007 4.487 4.480 0.001 0.000 0.264 248 M C 2.023 178.335 176.300 0.019 0.000 1.063 248 M CA 1.202 56.518 55.300 0.026 0.000 1.119 248 M CB -0.403 32.214 32.600 0.028 0.000 1.377 248 M HN 0.343 nan 8.290 nan 0.000 0.415 249 L N -0.612 120.623 121.223 0.019 0.000 2.217 249 L HA -0.111 4.230 4.340 0.001 0.000 0.211 249 L C 2.519 179.393 176.870 0.006 0.000 1.107 249 L CA 1.227 56.076 54.840 0.016 0.000 0.783 249 L CB -0.624 41.447 42.059 0.019 0.000 0.919 249 L HN 0.386 nan 8.230 nan 0.000 0.442 250 S N -1.444 114.256 115.700 -0.001 0.000 2.503 250 S HA 0.186 4.656 4.470 0.001 0.000 0.215 250 S C 1.631 176.219 174.600 -0.021 0.000 1.003 250 S CA 0.430 58.617 58.200 -0.022 0.000 0.910 250 S CB 0.769 63.948 63.200 -0.034 0.000 0.790 250 S HN 0.466 nan 8.310 nan 0.000 0.514 251 G N 1.375 110.175 108.800 -0.001 0.000 2.179 251 G HA2 -0.242 3.719 3.960 0.001 0.000 0.260 251 G HA3 -0.242 3.719 3.960 0.001 0.000 0.260 251 G C 0.049 174.959 174.900 0.016 0.000 0.977 251 G CA 0.257 45.359 45.100 0.005 0.000 0.641 251 G HN 0.598 nan 8.290 nan 0.000 0.533 252 I N 3.519 124.102 120.570 0.021 0.000 2.471 252 I HA 0.215 4.385 4.170 0.001 0.000 0.286 252 I C -1.452 174.696 176.117 0.052 0.000 1.079 252 I CA -1.970 59.362 61.300 0.052 0.000 1.398 252 I CB 0.837 38.885 38.000 0.080 0.000 1.403 252 I HN -0.074 nan 8.210 nan 0.000 0.530 253 P HA -0.080 nan 4.420 nan 0.000 0.262 253 P C 0.508 177.839 177.300 0.051 0.000 1.182 253 P CA 0.298 63.426 63.100 0.046 0.000 0.761 253 P CB 0.653 32.378 31.700 0.042 0.000 0.795 254 E N 2.792 123.023 120.200 0.051 0.000 2.147 254 E HA -0.249 4.101 4.350 0.001 0.000 0.199 254 E C 1.664 178.301 176.600 0.061 0.000 1.005 254 E CA 2.001 58.438 56.400 0.062 0.000 0.810 254 E CB -0.081 29.665 29.700 0.076 0.000 0.736 254 E HN 0.546 nan 8.360 nan 0.000 0.460 255 S N -0.088 115.645 115.700 0.054 0.000 2.474 255 S HA -0.072 4.398 4.470 0.001 0.000 0.235 255 S C 1.356 175.979 174.600 0.038 0.000 0.997 255 S CA 0.654 58.883 58.200 0.048 0.000 0.949 255 S CB 0.014 63.239 63.200 0.041 0.000 0.766 255 S HN 0.160 nan 8.310 nan 0.000 0.517 256 K N 1.089 121.515 120.400 0.042 0.000 2.397 256 K HA 0.321 4.641 4.320 0.001 0.000 0.202 256 K C -0.559 176.067 176.600 0.043 0.000 1.022 256 K CA 0.000 56.311 56.287 0.040 0.000 1.141 256 K CB 0.746 33.279 32.500 0.056 0.000 0.857 256 K HN 0.282 nan 8.250 nan 0.000 0.514 257 V N 1.866 121.802 119.914 0.036 0.000 2.448 257 V HA 0.336 4.457 4.120 0.001 0.000 0.295 257 V C -0.319 175.767 176.094 -0.014 0.000 1.025 257 V CA -0.937 61.377 62.300 0.023 0.000 0.859 257 V CB 1.862 33.703 31.823 0.031 0.000 0.988 257 V HN 0.139 nan 8.190 nan 0.000 0.431 258 R N 5.297 125.765 120.500 -0.053 0.000 2.409 258 R HA 0.596 4.937 4.340 0.001 0.000 0.313 258 R C -1.529 174.672 176.300 -0.166 0.000 0.953 258 R CA -0.583 55.456 56.100 -0.102 0.000 0.849 258 R CB 1.025 31.261 30.300 -0.107 0.000 1.171 258 R HN 0.568 nan 8.270 nan 0.000 0.458 259 I N 5.662 126.125 120.570 -0.180 0.000 2.378 259 I HA 0.302 4.472 4.170 0.001 0.000 0.291 259 I C -0.386 175.598 176.117 -0.221 0.000 0.992 259 I CA -0.790 60.386 61.300 -0.207 0.000 1.154 259 I CB 1.591 39.481 38.000 -0.182 0.000 1.315 259 I HN 0.407 nan 8.210 nan 0.000 0.448 260 V N 5.597 125.382 119.914 -0.215 0.000 2.482 260 V HA 0.499 4.619 4.120 0.001 0.000 0.295 260 V C -0.319 175.764 176.094 -0.019 0.000 1.026 260 V CA -0.135 62.094 62.300 -0.118 0.000 0.856 260 V CB 1.910 33.685 31.823 -0.080 0.000 1.001 260 V HN 0.748 nan 8.190 nan 0.000 0.424 261 S N 10.172 125.856 115.700 -0.027 0.000 2.411 261 S HA 0.491 4.961 4.470 0.001 0.000 0.294 261 S C -2.054 172.559 174.600 0.022 0.000 1.115 261 S CA -0.683 57.517 58.200 0.001 0.000 1.071 261 S CB 1.086 64.274 63.200 -0.021 0.000 0.967 261 S HN 0.903 nan 8.310 nan 0.000 0.488 262 P HA 0.250 nan 4.420 nan 0.000 0.343 262 P C -0.758 176.516 177.300 -0.044 0.000 1.358 262 P CA -0.438 62.668 63.100 0.009 0.000 0.802 262 P CB 0.358 32.070 31.700 0.021 0.000 1.886 263 D N -0.198 120.119 120.400 -0.138 0.000 2.390 263 D HA 0.300 4.941 4.640 0.001 0.000 0.249 263 D C 0.067 176.292 176.300 -0.125 0.000 1.144 263 D CA 0.487 54.357 54.000 -0.216 0.000 0.880 263 D CB 0.215 40.714 40.800 -0.502 0.000 1.182 263 D HN 0.179 nan 8.370 nan 0.000 0.451 264 I N 0.683 121.264 120.570 0.018 0.000 2.433 264 I HA 0.251 4.421 4.170 0.001 0.000 0.292 264 I C 1.171 177.404 176.117 0.193 0.000 1.001 264 I CA -0.874 60.513 61.300 0.145 0.000 1.119 264 I CB 2.109 40.124 38.000 0.026 0.000 1.289 264 I HN 0.317 nan 8.210 nan 0.000 0.438 265 G N 4.424 113.364 108.800 0.233 0.000 3.316 265 G HA2 0.470 4.430 3.960 0.001 0.000 0.255 265 G HA3 0.470 4.430 3.960 0.001 0.000 0.255 265 G C 0.545 175.428 174.900 -0.029 0.000 0.880 265 G CA 0.218 45.346 45.100 0.047 0.000 1.956 265 G HN 1.080 nan 8.290 nan 0.000 0.634 266 G N -1.077 107.643 108.800 -0.132 0.000 2.777 266 G HA2 0.284 4.245 3.960 0.001 0.000 0.686 266 G HA3 0.284 4.245 3.960 0.001 0.000 0.686 266 G C 0.655 175.308 174.900 -0.411 0.000 1.177 266 G CA -0.350 44.509 45.100 -0.403 0.000 0.775 266 G HN 1.122 nan 8.290 nan 0.000 0.613 267 G N -0.075 108.276 108.800 -0.750 0.000 2.766 267 G HA2 0.537 4.497 3.960 0.001 0.000 0.201 267 G HA3 0.537 4.497 3.960 0.001 0.000 0.201 267 G C 0.928 175.685 174.900 -0.238 0.000 1.177 267 G CA 0.851 45.749 45.100 -0.336 0.000 0.773 267 G HN 1.677 nan 8.290 nan 0.000 0.648 268 F N 0.433 120.364 119.950 -0.031 0.000 2.973 268 F HA -0.195 4.332 4.527 0.001 0.000 0.299 268 F C 1.941 177.695 175.800 -0.077 0.000 0.737 268 F CA 1.183 59.153 58.000 -0.050 0.000 1.151 268 F CB -1.551 37.410 39.000 -0.065 0.000 1.440 268 F HN 1.153 nan 8.300 nan 0.000 0.367 269 G N -0.829 107.982 108.800 0.017 0.000 2.232 269 G HA2 -0.404 3.557 3.960 0.001 0.000 0.226 269 G HA3 -0.404 3.557 3.960 0.001 0.000 0.226 269 G C 0.749 175.625 174.900 -0.040 0.000 0.996 269 G CA 0.516 45.592 45.100 -0.041 0.000 0.626 269 G HN 0.579 nan 8.290 nan 0.000 0.509 270 N N 0.801 119.505 118.700 0.007 0.000 2.309 270 N HA 0.024 4.764 4.740 0.001 0.000 0.182 270 N C 1.521 177.133 175.510 0.169 0.000 1.018 270 N CA 1.593 54.671 53.050 0.047 0.000 0.876 270 N CB -0.189 38.324 38.487 0.044 0.000 0.972 270 N HN 0.538 nan 8.380 nan 0.000 0.434 271 K N -0.586 119.883 120.400 0.116 0.000 2.576 271 K HA 0.211 4.531 4.320 0.001 0.000 0.209 271 K C 0.556 177.197 176.600 0.068 0.000 1.049 271 K CA -0.193 56.192 56.287 0.163 0.000 1.140 271 K CB 0.935 33.517 32.500 0.137 0.000 0.871 271 K HN -0.019 nan 8.250 nan 0.000 0.479 272 V N 0.267 120.171 119.914 -0.016 0.000 2.500 272 V HA -0.007 4.113 4.120 0.001 0.000 0.243 272 V C 1.369 177.381 176.094 -0.136 0.000 1.039 272 V CA 1.103 63.338 62.300 -0.109 0.000 1.053 272 V CB -0.043 31.614 31.823 -0.277 0.000 0.695 272 V HN 0.432 nan 8.190 nan 0.000 0.463 273 G N -0.416 108.256 108.800 -0.212 0.000 2.562 273 G HA2 0.513 4.474 3.960 0.001 0.000 0.275 273 G HA3 0.513 4.474 3.960 0.001 0.000 0.275 273 G C -0.607 174.061 174.900 -0.386 0.000 1.196 273 G CA -0.523 44.385 45.100 -0.320 0.000 0.908 273 G HN 0.250 nan 8.290 nan 0.000 0.524 274 I N 0.717 121.138 120.570 -0.249 0.000 2.315 274 I HA 0.214 4.385 4.170 0.001 0.000 0.291 274 I C -0.764 175.244 176.117 -0.183 0.000 1.006 274 I CA -0.446 60.851 61.300 -0.006 0.000 1.265 274 I CB 0.820 38.856 38.000 0.061 0.000 1.387 274 I HN 0.268 nan 8.210 nan 0.000 0.475 275 Y N 7.716 128.042 120.300 0.045 0.000 2.419 275 Y HA 0.310 4.860 4.550 0.001 0.000 0.328 275 Y C -1.376 174.368 175.900 -0.259 0.000 1.162 275 Y CA -2.317 55.671 58.100 -0.185 0.000 1.174 275 Y CB 0.274 38.536 38.460 -0.329 0.000 1.228 275 Y HN 0.427 nan 8.280 nan 0.000 0.473 276 P HA -0.179 nan 4.420 nan 0.000 0.218 276 P C 1.367 178.445 177.300 -0.370 0.000 1.146 276 P CA 2.023 65.033 63.100 -0.151 0.000 0.813 276 P CB 0.034 31.669 31.700 -0.107 0.000 0.778 277 G N -0.790 107.572 108.800 -0.731 0.000 2.442 277 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 277 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 277 G C 1.295 175.710 174.900 -0.809 0.000 1.141 277 G CA 0.593 44.748 45.100 -1.575 0.000 0.763 277 G HN 0.177 nan 8.290 nan 0.000 0.554 278 Y N 0.689 120.843 120.300 -0.244 0.000 2.133 278 Y HA -0.025 4.525 4.550 0.001 0.000 0.287 278 Y C 3.039 178.903 175.900 -0.060 0.000 1.134 278 Y CA 0.163 58.261 58.100 -0.004 0.000 1.133 278 Y CB -1.163 37.353 38.460 0.094 0.000 0.987 278 Y HN 0.027 nan 8.280 nan 0.000 0.502 279 V N -1.240 118.722 119.914 0.080 0.000 2.332 279 V HA -0.344 3.777 4.120 0.001 0.000 0.248 279 V C 2.446 178.519 176.094 -0.036 0.000 1.055 279 V CA 1.774 64.085 62.300 0.017 0.000 1.038 279 V CB -1.186 30.630 31.823 -0.011 0.000 0.651 279 V HN 0.520 nan 8.190 nan 0.000 0.450 280 C N 0.125 119.357 119.300 -0.113 0.000 2.446 280 C HA -0.031 4.429 4.460 0.001 0.000 0.277 280 C C 3.111 178.053 174.990 -0.080 0.000 1.275 280 C CA 0.696 59.637 59.018 -0.127 0.000 1.727 280 C CB -1.320 26.288 27.740 -0.221 0.000 2.010 280 C HN 0.638 nan 8.230 nan 0.000 0.486 281 A N 0.442 123.225 122.820 -0.062 0.000 1.902 281 A HA -0.116 4.204 4.320 0.001 0.000 0.217 281 A C 2.015 179.623 177.584 0.040 0.000 1.181 281 A CA 1.566 53.616 52.037 0.021 0.000 0.623 281 A CB -0.595 18.474 19.000 0.116 0.000 0.818 281 A HN 0.586 nan 8.150 nan 0.000 0.443 282 I N -0.438 120.157 120.570 0.043 0.000 2.163 282 I HA -0.236 3.934 4.170 0.001 0.000 0.243 282 I C 2.382 178.498 176.117 -0.003 0.000 1.085 282 I CA 1.298 62.619 61.300 0.034 0.000 1.347 282 I CB -0.336 37.682 38.000 0.030 0.000 1.044 282 I HN 0.164 nan 8.210 nan 0.000 0.408 283 V N 1.016 120.917 119.914 -0.022 0.000 2.287 283 V HA -0.324 3.797 4.120 0.001 0.000 0.248 283 V C 2.704 178.780 176.094 -0.031 0.000 1.053 283 V CA 2.067 64.341 62.300 -0.043 0.000 1.027 283 V CB -1.095 30.704 31.823 -0.040 0.000 0.646 283 V HN 0.516 nan 8.190 nan 0.000 0.447 284 A N -0.779 122.033 122.820 -0.012 0.000 1.902 284 A HA -0.250 4.070 4.320 0.001 0.000 0.217 284 A C 2.560 180.161 177.584 0.028 0.000 1.181 284 A CA 2.306 54.346 52.037 0.006 0.000 0.623 284 A CB -0.814 18.190 19.000 0.008 0.000 0.818 284 A HN 0.481 nan 8.150 nan 0.000 0.443 285 S N -0.513 115.213 115.700 0.044 0.000 2.368 285 S HA -0.112 4.359 4.470 0.001 0.000 0.225 285 S C 1.890 176.561 174.600 0.118 0.000 1.030 285 S CA 1.421 59.675 58.200 0.090 0.000 0.999 285 S CB -0.501 62.769 63.200 0.116 0.000 0.844 285 S HN 0.489 nan 8.310 nan 0.000 0.459 286 I N 0.826 121.411 120.570 0.024 0.000 2.286 286 I HA -0.115 4.055 4.170 0.001 0.000 0.248 286 I C 2.189 178.279 176.117 -0.045 0.000 1.115 286 I CA 0.861 62.078 61.300 -0.139 0.000 1.392 286 I CB -0.255 37.506 38.000 -0.398 0.000 1.065 286 I HN 0.205 nan 8.210 nan 0.000 0.418 287 V N 0.721 120.623 119.914 -0.019 0.000 2.453 287 V HA -0.179 3.941 4.120 0.001 0.000 0.247 287 V C 2.042 178.166 176.094 0.051 0.000 1.048 287 V CA 1.435 63.739 62.300 0.006 0.000 1.049 287 V CB -0.214 31.608 31.823 -0.001 0.000 0.672 287 V HN 0.370 nan 8.190 nan 0.000 0.457 288 L N 0.143 121.406 121.223 0.067 0.000 2.567 288 L HA 0.327 4.667 4.340 0.001 0.000 0.225 288 L C 1.662 178.592 176.870 0.100 0.000 1.119 288 L CA 0.739 55.628 54.840 0.081 0.000 0.871 288 L CB -0.447 41.653 42.059 0.068 0.000 1.036 288 L HN 0.514 nan 8.230 nan 0.000 0.459 289 G N 1.996 110.881 108.800 0.142 0.000 2.249 289 G HA2 -0.305 3.656 3.960 0.001 0.000 0.273 289 G HA3 -0.305 3.656 3.960 0.001 0.000 0.273 289 G C 0.218 175.186 174.900 0.113 0.000 1.036 289 G CA 0.822 46.024 45.100 0.169 0.000 0.824 289 G HN 0.603 nan 8.290 nan 0.000 0.504 290 R N -2.536 118.028 120.500 0.107 0.000 2.733 290 R HA 0.659 4.999 4.340 0.001 0.000 0.272 290 R C -3.463 172.883 176.300 0.077 0.000 1.029 290 R CA -2.130 54.014 56.100 0.074 0.000 0.888 290 R CB 0.376 30.704 30.300 0.048 0.000 1.251 290 R HN -0.009 nan 8.270 nan 0.000 0.464 291 P HA 0.070 nan 4.420 nan 0.000 0.265 291 P C -0.982 176.357 177.300 0.065 0.000 1.193 291 P CA -0.261 62.888 63.100 0.081 0.000 0.765 291 P CB 0.751 32.501 31.700 0.083 0.000 0.823 292 V N 4.365 124.324 119.914 0.076 0.000 2.483 292 V HA 0.327 4.448 4.120 0.001 0.000 0.297 292 V C 0.115 176.249 176.094 0.066 0.000 1.027 292 V CA -0.608 61.726 62.300 0.057 0.000 0.855 292 V CB 1.668 33.523 31.823 0.055 0.000 0.995 292 V HN 0.416 nan 8.190 nan 0.000 0.424 293 K N 3.951 124.353 120.400 0.004 0.000 2.159 293 K HA 0.476 4.797 4.320 0.001 0.000 0.266 293 K C -1.690 174.811 176.600 -0.165 0.000 0.975 293 K CA -0.562 55.701 56.287 -0.040 0.000 0.865 293 K CB 1.624 34.096 32.500 -0.046 0.000 1.087 293 K HN 0.640 nan 8.250 nan 0.000 0.446 294 W N 5.002 126.194 121.300 -0.179 0.000 2.715 294 W HA 0.441 5.101 4.660 0.001 0.000 0.331 294 W C -2.130 174.375 176.519 -0.024 0.000 1.031 294 W CA -0.560 56.697 57.345 -0.148 0.000 1.237 294 W CB 1.266 30.712 29.460 -0.023 0.000 1.378 294 W HN 0.197 nan 8.180 nan 0.000 0.454 295 V N 6.907 126.415 119.914 -0.677 0.000 2.488 295 V HA 0.200 4.321 4.120 0.001 0.000 0.293 295 V C 0.001 175.672 176.094 -0.707 0.000 1.027 295 V CA -0.989 60.934 62.300 -0.630 0.000 0.862 295 V CB 1.406 33.108 31.823 -0.203 0.000 1.008 295 V HN 0.569 nan 8.190 nan 0.000 0.428 296 E N 3.328 122.971 120.200 -0.930 0.000 2.374 296 E HA 0.340 4.690 4.350 0.001 0.000 0.260 296 E C -1.018 175.423 176.600 -0.266 0.000 1.101 296 E CA -0.692 55.399 56.400 -0.516 0.000 0.907 296 E CB 1.054 30.484 29.700 -0.449 0.000 1.014 296 E HN 0.511 nan 8.360 nan 0.000 0.427 297 D N 0.758 121.065 120.400 -0.155 0.000 2.340 297 D HA 0.058 4.698 4.640 0.001 0.000 0.251 297 D C 0.874 177.097 176.300 -0.129 0.000 1.080 297 D CA -0.517 53.409 54.000 -0.123 0.000 0.971 297 D CB 1.320 42.067 40.800 -0.088 0.000 1.137 297 D HN 0.462 nan 8.370 nan 0.000 0.475 298 R N 0.863 121.289 120.500 -0.123 0.000 2.113 298 R HA -0.156 4.184 4.340 0.001 0.000 0.244 298 R C 1.781 177.982 176.300 -0.165 0.000 1.142 298 R CA 1.536 57.552 56.100 -0.140 0.000 0.953 298 R CB -1.076 29.155 30.300 -0.114 0.000 0.860 298 R HN 0.335 nan 8.270 nan 0.000 0.438 299 V N 0.714 120.552 119.914 -0.128 0.000 2.392 299 V HA -0.234 3.887 4.120 0.001 0.000 0.249 299 V C 1.687 177.706 176.094 -0.124 0.000 1.059 299 V CA 2.399 64.625 62.300 -0.124 0.000 1.051 299 V CB -0.313 31.463 31.823 -0.080 0.000 0.658 299 V HN 0.530 nan 8.190 nan 0.000 0.455 300 E N -0.075 120.069 120.200 -0.094 0.000 2.072 300 E HA -0.235 4.116 4.350 0.001 0.000 0.191 300 E C 2.037 178.573 176.600 -0.107 0.000 0.985 300 E CA 1.487 57.854 56.400 -0.054 0.000 0.801 300 E CB -0.255 29.444 29.700 -0.001 0.000 0.750 300 E HN 0.737 nan 8.360 nan 0.000 0.452 301 N N 1.114 119.710 118.700 -0.173 0.000 2.084 301 N HA -0.133 4.608 4.740 0.001 0.000 0.190 301 N C 1.725 176.984 175.510 -0.419 0.000 1.030 301 N CA 1.142 54.062 53.050 -0.216 0.000 0.849 301 N CB -0.038 38.337 38.487 -0.186 0.000 1.012 301 N HN 0.058 nan 8.380 nan 0.000 0.423 302 I N -0.390 119.814 120.570 -0.611 0.000 2.315 302 I HA -0.193 3.977 4.170 0.001 0.000 0.248 302 I C 1.895 177.696 176.117 -0.527 0.000 1.117 302 I CA 0.815 61.500 61.300 -1.024 0.000 1.404 302 I CB -0.237 37.312 38.000 -0.751 0.000 1.071 302 I HN 0.180 nan 8.210 nan 0.000 0.419 303 S N -0.122 115.426 115.700 -0.253 0.000 2.377 303 S HA -0.111 4.360 4.470 0.001 0.000 0.223 303 S C 1.976 176.605 174.600 0.049 0.000 1.030 303 S CA 1.847 60.004 58.200 -0.071 0.000 0.970 303 S CB -0.181 63.007 63.200 -0.021 0.000 0.830 303 S HN 0.627 nan 8.310 nan 0.000 0.473 304 T N -0.325 114.256 114.554 0.044 0.000 2.969 304 T HA 0.122 4.472 4.350 0.001 0.000 0.250 304 T C 0.993 175.697 174.700 0.006 0.000 1.021 304 T CA 0.441 62.607 62.100 0.110 0.000 1.003 304 T CB -0.334 68.653 68.868 0.200 0.000 1.040 304 T HN 0.419 nan 8.240 nan 0.000 0.492 305 T N 0.832 115.347 114.554 -0.065 0.000 2.788 305 T HA 0.678 5.029 4.350 0.001 0.000 0.280 305 T C 0.595 175.378 174.700 0.139 0.000 0.984 305 T CA -0.360 61.612 62.100 -0.214 0.000 0.972 305 T CB 0.643 69.262 68.868 -0.414 0.000 1.039 305 T HN 0.497 nan 8.240 nan 0.000 0.530 306 A N 1.736 124.667 122.820 0.185 0.000 2.553 306 A HA 0.435 4.755 4.320 0.001 0.000 0.258 306 A C 0.271 177.730 177.584 -0.209 0.000 1.069 306 A CA -0.540 51.505 52.037 0.014 0.000 0.767 306 A CB -1.273 17.725 19.000 -0.003 0.000 0.997 306 A HN 0.796 nan 8.150 nan 0.000 0.512 307 F N 1.896 121.774 119.950 -0.120 0.000 2.291 307 F HA 0.814 5.341 4.527 0.001 0.000 0.305 307 F C 0.354 176.078 175.800 -0.126 0.000 1.171 307 F CA -0.812 57.101 58.000 -0.146 0.000 1.090 307 F CB 0.665 39.677 39.000 0.019 0.000 1.436 307 F HN 0.713 nan 8.300 nan 0.000 0.509 308 A N 0.439 123.368 122.820 0.181 0.000 2.498 308 A HA 0.885 5.205 4.320 0.001 0.000 0.298 308 A C -0.312 177.345 177.584 0.120 0.000 1.075 308 A CA -0.913 51.121 52.037 -0.005 0.000 0.714 308 A CB 1.216 20.247 19.000 0.052 0.000 1.299 308 A HN 0.894 nan 8.150 nan 0.000 0.407 309 R N 0.269 120.662 120.500 -0.179 0.000 4.067 309 R HA -0.173 4.168 4.340 0.001 0.000 0.302 309 R C -0.148 176.143 176.300 -0.015 0.000 0.241 309 R CA 1.221 57.111 56.100 -0.349 0.000 1.020 309 R CB -1.559 28.439 30.300 -0.504 0.000 1.057 309 R HN 1.586 nan 8.270 nan 0.000 0.533 310 D N -0.842 119.562 120.400 0.008 0.000 2.767 310 D HA -0.161 4.479 4.640 0.001 0.000 0.239 310 D C -1.361 175.163 176.300 0.373 0.000 1.103 310 D CA 0.876 54.983 54.000 0.178 0.000 0.710 310 D CB -1.117 39.810 40.800 0.212 0.000 1.084 310 D HN 0.295 nan 8.370 nan 0.000 0.435 311 Y N 0.932 121.233 120.300 0.002 0.000 2.331 311 Y HA 0.371 4.921 4.550 0.001 0.000 0.338 311 Y C 0.720 176.681 175.900 0.102 0.000 0.992 311 Y CA -0.657 57.478 58.100 0.059 0.000 1.121 311 Y CB 1.069 39.501 38.460 -0.048 0.000 1.184 311 Y HN 0.075 nan 8.280 nan 0.000 0.469 312 H N 6.044 125.253 119.070 0.230 0.000 2.685 312 H HA 0.366 4.922 4.556 0.001 0.000 0.286 312 H C -0.418 174.929 175.328 0.031 0.000 1.102 312 H CA -0.172 55.995 56.048 0.199 0.000 1.254 312 H CB 0.588 30.457 29.762 0.178 0.000 1.397 312 H HN 0.564 nan 8.280 nan 0.000 0.473 313 M N 2.289 121.908 119.600 0.032 0.000 2.423 313 M HA 0.257 4.737 4.480 0.001 0.000 0.335 313 M C -0.282 175.994 176.300 -0.040 0.000 1.177 313 M CA -0.533 54.784 55.300 0.029 0.000 1.038 313 M CB 1.828 34.517 32.600 0.147 0.000 1.641 313 M HN 0.337 nan 8.290 nan 0.000 0.455 314 D N 2.366 122.820 120.400 0.090 0.000 2.420 314 D HA 0.353 4.993 4.640 0.001 0.000 0.255 314 D C -0.445 175.927 176.300 0.120 0.000 1.185 314 D CA 0.018 54.094 54.000 0.126 0.000 0.904 314 D CB 1.818 42.720 40.800 0.169 0.000 1.102 314 D HN 0.843 nan 8.370 nan 0.000 0.534 315 G N 1.559 110.425 108.800 0.109 0.000 2.400 315 G HA2 0.519 4.479 3.960 0.001 0.000 0.301 315 G HA3 0.519 4.479 3.960 0.001 0.000 0.301 315 G C -0.189 174.775 174.900 0.107 0.000 1.154 315 G CA -0.291 44.884 45.100 0.126 0.000 0.852 315 G HN 0.284 nan 8.290 nan 0.000 0.511 316 E N -0.149 120.124 120.200 0.121 0.000 2.356 316 E HA 0.515 4.866 4.350 0.001 0.000 0.275 316 E C -1.627 175.192 176.600 0.366 0.000 0.904 316 E CA -0.741 55.755 56.400 0.159 0.000 0.757 316 E CB 2.744 32.387 29.700 -0.096 0.000 1.232 316 E HN 0.217 nan 8.360 nan 0.000 0.442 317 L N 1.526 123.019 121.223 0.451 0.000 2.431 317 L HA 0.684 5.024 4.340 0.001 0.000 0.266 317 L C -1.390 175.558 176.870 0.131 0.000 0.978 317 L CA -0.430 54.613 54.840 0.338 0.000 0.822 317 L CB 2.047 44.189 42.059 0.138 0.000 1.310 317 L HN 0.697 nan 8.230 nan 0.000 0.409 318 A N 2.832 125.468 122.820 -0.307 0.000 2.342 318 A HA 1.032 5.352 4.320 0.001 0.000 0.323 318 A C -0.832 176.576 177.584 -0.294 0.000 1.125 318 A CA 0.205 51.900 52.037 -0.570 0.000 0.785 318 A CB 1.469 19.666 19.000 -1.338 0.000 1.221 318 A HN 1.082 nan 8.150 nan 0.000 0.463 319 A N 0.933 123.636 122.820 -0.195 0.000 2.599 319 A HA 0.853 5.173 4.320 0.001 0.000 0.290 319 A C -0.128 177.397 177.584 -0.099 0.000 1.101 319 A CA 0.031 51.990 52.037 -0.131 0.000 0.674 319 A CB 0.504 19.444 19.000 -0.101 0.000 1.277 319 A HN 1.700 nan 8.150 nan 0.000 0.419 320 T N -0.278 114.229 114.554 -0.079 0.000 2.909 320 T HA 0.561 4.912 4.350 0.001 0.000 0.286 320 T C -1.652 173.018 174.700 -0.050 0.000 1.002 320 T CA -1.351 60.713 62.100 -0.059 0.000 1.074 320 T CB 1.202 70.040 68.868 -0.051 0.000 0.984 320 T HN 0.419 nan 8.240 nan 0.000 0.495 321 P HA -0.178 nan 4.420 nan 0.000 0.221 321 P C 0.782 178.063 177.300 -0.032 0.000 1.141 321 P CA 1.206 64.287 63.100 -0.031 0.000 0.794 321 P CB 0.033 31.718 31.700 -0.024 0.000 0.764 322 D N -1.819 118.560 120.400 -0.035 0.000 2.340 322 D HA 0.058 4.699 4.640 0.001 0.000 0.220 322 D C 1.472 177.745 176.300 -0.044 0.000 1.039 322 D CA 0.675 54.655 54.000 -0.033 0.000 0.866 322 D CB -0.476 40.307 40.800 -0.029 0.000 0.913 322 D HN 0.273 nan 8.370 nan 0.000 0.523 323 G N 0.694 109.461 108.800 -0.055 0.000 2.213 323 G HA2 -0.287 3.673 3.960 0.001 0.000 0.226 323 G HA3 -0.287 3.673 3.960 0.001 0.000 0.226 323 G C 0.284 175.130 174.900 -0.090 0.000 0.992 323 G CA 0.054 45.109 45.100 -0.074 0.000 0.632 323 G HN 0.492 nan 8.290 nan 0.000 0.511 324 K N 1.819 122.176 120.400 -0.072 0.000 2.402 324 K HA 0.478 4.799 4.320 0.001 0.000 0.285 324 K C 0.841 177.394 176.600 -0.078 0.000 1.054 324 K CA -0.275 55.971 56.287 -0.068 0.000 1.001 324 K CB -0.201 32.270 32.500 -0.049 0.000 0.946 324 K HN 0.336 nan 8.250 nan 0.000 0.473 325 I N 6.829 127.349 120.570 -0.085 0.000 2.556 325 I HA -0.055 4.116 4.170 0.001 0.000 0.284 325 I C 0.901 176.977 176.117 -0.069 0.000 1.114 325 I CA 0.052 61.303 61.300 -0.083 0.000 1.418 325 I CB 0.582 38.538 38.000 -0.073 0.000 1.394 325 I HN 0.643 nan 8.210 nan 0.000 0.552 326 L N 5.544 126.700 121.223 -0.111 0.000 2.575 326 L HA 0.424 4.764 4.340 0.001 0.000 0.228 326 L C 0.901 177.702 176.870 -0.116 0.000 1.075 326 L CA -0.027 54.744 54.840 -0.115 0.000 0.867 326 L CB 0.081 42.047 42.059 -0.155 0.000 1.097 326 L HN 0.762 nan 8.230 nan 0.000 0.485 327 G N 0.242 108.953 108.800 -0.148 0.000 2.601 327 G HA2 0.528 4.488 3.960 0.001 0.000 0.291 327 G HA3 0.528 4.488 3.960 0.001 0.000 0.291 327 G C -2.462 172.569 174.900 0.218 0.000 1.456 327 G CA -0.393 44.698 45.100 -0.016 0.000 0.804 327 G HN -0.178 nan 8.290 nan 0.000 0.499 328 L N 0.241 121.730 121.223 0.444 0.000 2.436 328 L HA 0.888 5.229 4.340 0.001 0.000 0.268 328 L C -0.490 176.617 176.870 0.395 0.000 0.974 328 L CA -0.781 54.342 54.840 0.471 0.000 0.826 328 L CB 2.041 44.299 42.059 0.332 0.000 1.291 328 L HN 0.640 nan 8.230 nan 0.000 0.406 329 R N 4.335 124.942 120.500 0.178 0.000 2.502 329 R HA 0.826 5.167 4.340 0.001 0.000 0.300 329 R C -2.013 174.332 176.300 0.075 0.000 0.984 329 R CA -0.541 55.555 56.100 -0.007 0.000 0.882 329 R CB 1.897 31.892 30.300 -0.508 0.000 1.180 329 R HN 0.573 nan 8.270 nan 0.000 0.444 330 V N 3.323 123.352 119.914 0.191 0.000 2.735 330 V HA 0.486 4.606 4.120 0.001 0.000 0.310 330 V C -0.777 175.440 176.094 0.205 0.000 1.061 330 V CA -1.037 61.401 62.300 0.228 0.000 0.913 330 V CB 2.224 34.269 31.823 0.370 0.000 1.005 330 V HN 0.803 nan 8.190 nan 0.000 0.428 331 N N 1.692 120.486 118.700 0.157 0.000 2.410 331 N HA 0.734 5.475 4.740 0.001 0.000 0.287 331 N C -1.282 174.265 175.510 0.061 0.000 1.044 331 N CA -0.322 52.791 53.050 0.106 0.000 0.881 331 N CB 2.391 40.925 38.487 0.079 0.000 1.405 331 N HN 0.490 nan 8.380 nan 0.000 0.490 332 V N 1.794 121.695 119.914 -0.022 0.000 2.769 332 V HA 0.559 4.680 4.120 0.001 0.000 0.312 332 V C -0.570 175.416 176.094 -0.180 0.000 1.061 332 V CA -0.788 61.417 62.300 -0.158 0.000 0.931 332 V CB 2.181 33.714 31.823 -0.484 0.000 1.010 332 V HN 0.291 nan 8.190 nan 0.000 0.433 333 V N 2.965 122.795 119.914 -0.140 0.000 2.350 333 V HA 0.734 4.854 4.120 0.001 0.000 0.285 333 V C 0.254 176.298 176.094 -0.084 0.000 1.014 333 V CA -0.523 61.704 62.300 -0.121 0.000 0.831 333 V CB 1.470 33.235 31.823 -0.097 0.000 1.000 333 V HN 0.999 nan 8.190 nan 0.000 0.433 334 A N 3.193 125.930 122.820 -0.139 0.000 2.276 334 A HA 0.610 4.931 4.320 0.001 0.000 0.316 334 A C -0.319 177.415 177.584 0.251 0.000 1.229 334 A CA -0.413 51.675 52.037 0.085 0.000 0.851 334 A CB 0.666 19.773 19.000 0.178 0.000 1.165 334 A HN 0.738 nan 8.150 nan 0.000 0.513 335 D N 1.336 121.931 120.400 0.325 0.000 2.396 335 D HA 0.164 4.805 4.640 0.001 0.000 0.225 335 D C 0.526 177.022 176.300 0.326 0.000 1.121 335 D CA 0.132 54.274 54.000 0.237 0.000 0.853 335 D CB 0.147 41.052 40.800 0.175 0.000 1.043 335 D HN 0.669 nan 8.370 nan 0.000 0.500 336 H N 2.532 121.708 119.070 0.178 0.000 2.575 336 H HA 0.238 4.795 4.556 0.001 0.000 0.267 336 H C 1.289 176.790 175.328 0.288 0.000 0.966 336 H CA 0.281 56.512 56.048 0.305 0.000 1.165 336 H CB 0.958 30.848 29.762 0.214 0.000 1.433 336 H HN 0.668 nan 8.280 nan 0.000 0.544 337 G N 0.467 109.404 108.800 0.228 0.000 2.660 337 G HA2 -0.273 3.687 3.960 0.001 0.000 0.215 337 G HA3 -0.273 3.687 3.960 0.001 0.000 0.215 337 G C 0.985 175.943 174.900 0.098 0.000 1.345 337 G CA 0.002 45.140 45.100 0.064 0.000 0.877 337 G HN 0.358 nan 8.290 nan 0.000 0.549 338 A N -0.703 122.008 122.820 -0.182 0.000 1.851 338 A HA 0.391 4.712 4.320 0.001 0.000 0.216 338 A C 0.940 178.196 177.584 -0.547 0.000 1.195 338 A CA 2.415 54.158 52.037 -0.491 0.000 0.622 338 A CB -0.420 18.054 19.000 -0.877 0.000 0.831 338 A HN 1.287 nan 8.150 nan 0.000 0.444 339 F N -0.966 119.058 119.950 0.122 0.000 2.508 339 F HA 0.484 5.011 4.527 0.001 0.000 0.325 339 F C -0.290 175.709 175.800 0.331 0.000 1.090 339 F CA -2.203 55.902 58.000 0.174 0.000 0.945 339 F CB 0.823 39.906 39.000 0.138 0.000 1.156 339 F HN -0.036 nan 8.300 nan 0.000 0.463 340 D N 2.011 122.766 120.400 0.593 0.000 2.422 340 D HA 0.436 5.077 4.640 0.001 0.000 0.227 340 D C 0.048 176.558 176.300 0.350 0.000 1.190 340 D CA 0.160 54.441 54.000 0.469 0.000 0.905 340 D CB 0.783 41.822 40.800 0.398 0.000 1.034 340 D HN 0.651 nan 8.370 nan 0.000 0.507 341 A N 3.505 126.502 122.820 0.295 0.000 2.701 341 A HA 0.162 4.482 4.320 0.001 0.000 0.297 341 A C 0.609 178.256 177.584 0.105 0.000 1.197 341 A CA -0.558 51.592 52.037 0.189 0.000 0.963 341 A CB -0.359 18.755 19.000 0.189 0.000 1.175 341 A HN 0.587 nan 8.150 nan 0.000 0.531 342 C N 2.375 121.756 119.300 0.135 0.000 2.619 342 C HA 0.526 4.987 4.460 0.001 0.000 0.389 342 C C 1.241 176.252 174.990 0.035 0.000 1.314 342 C CA -0.307 58.738 59.018 0.044 0.000 1.678 342 C CB -1.681 26.139 27.740 0.134 0.000 2.398 342 C HN 0.780 nan 8.230 nan 0.000 0.582 343 A N 6.426 129.239 122.820 -0.012 0.000 2.548 343 A HA 0.468 4.788 4.320 0.001 0.000 0.247 343 A C 0.105 177.782 177.584 0.154 0.000 1.067 343 A CA 0.819 52.868 52.037 0.020 0.000 0.757 343 A CB 0.064 19.022 19.000 -0.069 0.000 0.996 343 A HN 0.962 nan 8.150 nan 0.000 0.504 344 D N 1.519 121.975 120.400 0.094 0.000 2.742 344 D HA 0.330 4.970 4.640 0.001 0.000 0.262 344 D C -3.142 173.079 176.300 -0.132 0.000 1.240 344 D CA -0.562 53.404 54.000 -0.056 0.000 0.752 344 D CB 1.287 42.064 40.800 -0.039 0.000 1.290 344 D HN 0.178 nan 8.370 nan 0.000 0.420 345 P HA 0.105 nan 4.420 nan 0.000 0.271 345 P C 1.164 178.485 177.300 0.036 0.000 1.218 345 P CA -0.003 63.073 63.100 -0.039 0.000 0.780 345 P CB 0.502 32.247 31.700 0.075 0.000 0.901 346 T N -0.526 114.046 114.554 0.031 0.000 2.822 346 T HA -0.198 4.152 4.350 0.001 0.000 0.270 346 T C 1.073 175.767 174.700 -0.010 0.000 1.064 346 T CA 1.284 63.398 62.100 0.022 0.000 1.131 346 T CB -0.625 68.234 68.868 -0.015 0.000 0.858 346 T HN 0.347 nan 8.240 nan 0.000 0.483 347 K N 0.080 120.401 120.400 -0.132 0.000 2.444 347 K HA 0.233 4.553 4.320 0.001 0.000 0.193 347 K C -0.575 175.514 176.600 -0.851 0.000 1.024 347 K CA 0.110 56.142 56.287 -0.426 0.000 1.077 347 K CB 0.154 32.330 32.500 -0.540 0.000 0.833 347 K HN 0.440 nan 8.250 nan 0.000 0.517 348 F N 1.276 121.107 119.950 -0.198 0.000 2.564 348 F HA 0.220 4.748 4.527 0.001 0.000 0.361 348 F C -1.810 173.608 175.800 -0.638 0.000 1.161 348 F CA -2.213 55.498 58.000 -0.481 0.000 1.198 348 F CB 1.508 40.305 39.000 -0.338 0.000 1.424 348 F HN -0.138 nan 8.300 nan 0.000 0.517 349 P HA -0.098 nan 4.420 nan 0.000 0.228 349 P C 0.799 177.706 177.300 -0.655 0.000 1.151 349 P CA 0.951 63.325 63.100 -1.210 0.000 0.770 349 P CB 0.459 30.756 31.700 -2.337 0.000 0.786 350 A N -1.035 121.453 122.820 -0.554 0.000 2.606 350 A HA 0.596 4.916 4.320 0.001 0.000 0.290 350 A C 1.120 178.653 177.584 -0.085 0.000 1.174 350 A CA 0.217 52.172 52.037 -0.137 0.000 0.958 350 A CB -0.410 18.553 19.000 -0.061 0.000 1.194 350 A HN 0.300 nan 8.150 nan 0.000 0.526 351 G N 0.373 109.107 108.800 -0.110 0.000 2.574 351 G HA2 -0.276 3.684 3.960 0.001 0.000 0.286 351 G HA3 -0.276 3.684 3.960 0.001 0.000 0.286 351 G C 0.334 175.233 174.900 -0.002 0.000 1.212 351 G CA 0.368 45.474 45.100 0.010 0.000 0.979 351 G HN 0.750 nan 8.290 nan 0.000 0.557 352 L N 0.366 121.647 121.223 0.097 0.000 3.034 352 L HA 0.370 4.711 4.340 0.001 0.000 0.245 352 L C 1.699 178.712 176.870 0.239 0.000 1.295 352 L CA -0.222 54.704 54.840 0.143 0.000 1.068 352 L CB -0.095 41.897 42.059 -0.111 0.000 1.426 352 L HN 0.463 nan 8.230 nan 0.000 0.531 353 F N 1.608 121.693 119.950 0.226 0.000 2.307 353 F HA -0.218 4.309 4.527 0.001 0.000 0.301 353 F C 2.522 178.448 175.800 0.210 0.000 1.076 353 F CA 1.276 59.408 58.000 0.220 0.000 1.383 353 F CB -0.042 39.139 39.000 0.301 0.000 1.055 353 F HN 0.462 nan 8.300 nan 0.000 0.526 354 H N -0.784 118.310 119.070 0.040 0.000 2.574 354 H HA 0.033 4.590 4.556 0.001 0.000 0.277 354 H C 1.769 176.841 175.328 -0.427 0.000 1.058 354 H CA 0.231 56.005 56.048 -0.457 0.000 1.171 354 H CB -1.164 28.535 29.762 -0.105 0.000 1.304 354 H HN 0.345 nan 8.280 nan 0.000 0.620 355 I N 1.965 122.304 120.570 -0.384 0.000 3.875 355 I HA -0.070 4.101 4.170 0.001 0.000 0.329 355 I C 1.316 177.320 176.117 -0.188 0.000 1.295 355 I CA 0.060 61.128 61.300 -0.386 0.000 1.129 355 I CB -0.685 36.880 38.000 -0.726 0.000 1.008 355 I HN 0.408 nan 8.210 nan 0.000 0.413 356 C N -0.309 118.792 119.300 -0.333 0.000 2.485 356 C HA 0.006 4.466 4.460 0.001 0.000 0.283 356 C C 2.713 177.782 174.990 0.131 0.000 1.478 356 C CA 0.482 59.380 59.018 -0.201 0.000 1.741 356 C CB -2.171 25.262 27.740 -0.511 0.000 1.675 356 C HN 0.647 nan 8.230 nan 0.000 0.573 357 S N 0.569 116.460 115.700 0.318 0.000 2.453 357 S HA 0.356 4.826 4.470 0.001 0.000 0.231 357 S C 1.475 176.270 174.600 0.324 0.000 1.005 357 S CA 1.070 59.538 58.200 0.446 0.000 0.949 357 S CB -1.014 62.514 63.200 0.546 0.000 0.774 357 S HN 1.833 nan 8.310 nan 0.000 0.510 358 G N 1.212 110.153 108.800 0.235 0.000 2.552 358 G HA2 -0.281 3.679 3.960 0.001 0.000 0.265 358 G HA3 -0.281 3.679 3.960 0.001 0.000 0.265 358 G C 0.513 175.419 174.900 0.011 0.000 1.234 358 G CA 0.106 45.260 45.100 0.089 0.000 0.944 358 G HN 0.770 nan 8.290 nan 0.000 0.568 359 S N 0.715 116.123 115.700 -0.486 0.000 2.671 359 S HA 0.380 4.851 4.470 0.001 0.000 0.220 359 S C -0.257 174.085 174.600 -0.430 0.000 0.951 359 S CA 0.569 58.484 58.200 -0.475 0.000 0.932 359 S CB -0.142 62.545 63.200 -0.855 0.000 0.777 359 S HN 0.442 nan 8.310 nan 0.000 0.508 360 Y N 0.846 121.240 120.300 0.157 0.000 2.409 360 Y HA 0.447 4.997 4.550 0.001 0.000 0.339 360 Y C 0.152 176.035 175.900 -0.028 0.000 1.033 360 Y CA -2.446 55.694 58.100 0.066 0.000 1.094 360 Y CB 0.391 38.879 38.460 0.048 0.000 1.210 360 Y HN -0.114 nan 8.280 nan 0.000 0.456 361 D N 3.265 123.692 120.400 0.045 0.000 2.498 361 D HA 0.166 4.806 4.640 0.001 0.000 0.229 361 D C -0.670 175.701 176.300 0.117 0.000 1.188 361 D CA 0.220 54.218 54.000 -0.004 0.000 1.028 361 D CB -0.409 40.340 40.800 -0.085 0.000 1.087 361 D HN 0.456 nan 8.370 nan 0.000 0.510 362 I N 5.215 125.883 120.570 0.163 0.000 2.304 362 I HA 0.187 4.357 4.170 0.001 0.000 0.291 362 I C -1.067 175.095 176.117 0.076 0.000 1.018 362 I CA -1.896 59.474 61.300 0.116 0.000 1.260 362 I CB 1.889 39.977 38.000 0.147 0.000 1.390 362 I HN 0.154 nan 8.210 nan 0.000 0.475 363 P HA -0.090 nan 4.420 nan 0.000 0.218 363 P C 0.158 177.444 177.300 -0.023 0.000 1.149 363 P CA 1.190 64.294 63.100 0.006 0.000 0.817 363 P CB 0.407 32.106 31.700 -0.001 0.000 0.785 364 R N -0.511 119.979 120.500 -0.017 0.000 2.574 364 R HA 0.732 5.072 4.340 0.001 0.000 0.288 364 R C -1.001 175.295 176.300 -0.007 0.000 1.004 364 R CA -0.517 55.569 56.100 -0.024 0.000 0.895 364 R CB 2.602 32.908 30.300 0.010 0.000 1.191 364 R HN 0.007 nan 8.270 nan 0.000 0.444 365 A N 1.879 124.633 122.820 -0.111 0.000 2.609 365 A HA 0.633 4.953 4.320 0.001 0.000 0.291 365 A C -1.864 175.678 177.584 -0.069 0.000 1.096 365 A CA -0.595 51.380 52.037 -0.103 0.000 0.684 365 A CB 2.149 20.966 19.000 -0.305 0.000 1.282 365 A HN 0.752 nan 8.150 nan 0.000 0.412 366 H N -0.321 118.807 119.070 0.096 0.000 3.129 366 H HA 0.494 5.050 4.556 0.001 0.000 0.342 366 H C -1.329 174.224 175.328 0.375 0.000 1.092 366 H CA 0.115 56.302 56.048 0.232 0.000 1.310 366 H CB 1.497 31.319 29.762 0.099 0.000 1.932 366 H HN 1.376 nan 8.280 nan 0.000 0.507 367 C N 2.810 122.067 119.300 -0.071 0.000 2.667 367 C HA 0.887 5.347 4.460 0.001 0.000 0.323 367 C C -0.185 174.684 174.990 -0.202 0.000 1.214 367 C CA -0.915 58.147 59.018 0.072 0.000 1.721 367 C CB 1.195 29.126 27.740 0.319 0.000 2.275 367 C HN 0.694 nan 8.230 nan 0.000 0.491 368 S N 0.926 116.671 115.700 0.075 0.000 2.649 368 S HA 0.657 5.128 4.470 0.001 0.000 0.274 368 S C -1.350 173.334 174.600 0.139 0.000 1.176 368 S CA -0.292 57.959 58.200 0.086 0.000 0.988 368 S CB 0.967 64.244 63.200 0.129 0.000 1.071 368 S HN 0.988 nan 8.310 nan 0.000 0.478 369 V N 5.132 125.180 119.914 0.224 0.000 2.495 369 V HA 0.606 4.727 4.120 0.001 0.000 0.298 369 V C -0.133 175.999 176.094 0.063 0.000 1.031 369 V CA -0.784 61.573 62.300 0.095 0.000 0.871 369 V CB 1.770 33.669 31.823 0.127 0.000 0.988 369 V HN 0.819 nan 8.190 nan 0.000 0.432 370 K N 3.083 123.399 120.400 -0.138 0.000 2.483 370 K HA 0.644 4.964 4.320 0.001 0.000 0.256 370 K C 0.068 176.381 176.600 -0.478 0.000 0.961 370 K CA -0.346 55.792 56.287 -0.248 0.000 0.873 370 K CB 1.342 33.776 32.500 -0.109 0.000 1.107 370 K HN 0.908 nan 8.250 nan 0.000 0.432 371 G N 2.353 110.502 108.800 -1.086 0.000 2.372 371 G HA2 0.476 4.437 3.960 0.001 0.000 0.283 371 G HA3 0.476 4.437 3.960 0.001 0.000 0.283 371 G C -0.840 173.683 174.900 -0.628 0.000 1.177 371 G CA -0.483 44.030 45.100 -0.979 0.000 0.842 371 G HN 0.498 nan 8.290 nan 0.000 0.503 372 V N 1.307 121.016 119.914 -0.341 0.000 2.962 372 V HA 0.724 4.845 4.120 0.001 0.000 0.313 372 V C -1.340 174.664 176.094 -0.150 0.000 1.099 372 V CA -1.483 60.659 62.300 -0.263 0.000 0.971 372 V CB 1.571 33.302 31.823 -0.153 0.000 1.028 372 V HN 0.575 nan 8.190 nan 0.000 0.430 373 Y N 2.757 123.057 120.300 -0.000 0.000 2.304 373 Y HA 0.742 5.292 4.550 0.001 0.000 0.327 373 Y C 1.092 176.974 175.900 -0.030 0.000 1.209 373 Y CA 0.361 58.467 58.100 0.010 0.000 1.299 373 Y CB 1.518 40.004 38.460 0.042 0.000 1.249 373 Y HN 1.057 nan 8.280 nan 0.000 0.519 374 T N -1.904 112.720 114.554 0.116 0.000 2.821 374 T HA 0.344 4.695 4.350 0.001 0.000 0.306 374 T C -0.792 173.852 174.700 -0.093 0.000 1.313 374 T CA -1.357 60.725 62.100 -0.029 0.000 1.012 374 T CB 0.746 69.547 68.868 -0.110 0.000 1.298 374 T HN 0.475 nan 8.240 nan 0.000 0.502 375 N N 1.102 119.722 118.700 -0.133 0.000 3.103 375 N HA 0.313 5.053 4.740 0.001 0.000 0.305 375 N C -0.559 174.891 175.510 -0.100 0.000 1.232 375 N CA -0.207 52.782 53.050 -0.102 0.000 1.190 375 N CB -0.054 38.382 38.487 -0.084 0.000 1.461 375 N HN 0.351 nan 8.380 nan 0.000 0.538 376 K N 0.041 120.351 120.400 -0.149 0.000 2.495 376 K HA 0.629 4.949 4.320 0.001 0.000 0.268 376 K C -0.837 175.500 176.600 -0.437 0.000 1.008 376 K CA -1.076 55.082 56.287 -0.215 0.000 0.882 376 K CB 1.511 33.759 32.500 -0.420 0.000 1.443 376 K HN 0.108 nan 8.250 nan 0.000 0.447 377 A N 1.802 124.269 122.820 -0.589 0.000 2.445 377 A HA 0.361 4.682 4.320 0.001 0.000 0.242 377 A C -2.320 175.128 177.584 -0.227 0.000 1.075 377 A CA -0.832 50.630 52.037 -0.958 0.000 0.777 377 A CB -0.482 18.195 19.000 -0.538 0.000 1.013 377 A HN 0.316 nan 8.150 nan 0.000 0.493 378 P HA 0.481 nan 4.420 nan 0.000 0.271 378 P C 0.750 178.188 177.300 0.230 0.000 1.244 378 P CA 1.026 64.238 63.100 0.187 0.000 0.793 378 P CB 0.747 32.584 31.700 0.229 0.000 0.984 379 G N -1.471 107.310 108.800 -0.031 0.000 2.288 379 G HA2 0.411 4.371 3.960 0.001 0.000 0.227 379 G HA3 0.411 4.371 3.960 0.001 0.000 0.227 379 G C 0.130 174.345 174.900 -1.142 0.000 1.339 379 G CA 0.591 45.286 45.100 -0.674 0.000 1.057 379 G HN 0.886 nan 8.290 nan 0.000 0.470 380 G N -2.270 105.487 108.800 -1.737 0.000 3.031 380 G HA2 0.127 4.087 3.960 0.001 0.000 0.198 380 G HA3 0.127 4.087 3.960 0.001 0.000 0.198 380 G C 0.114 174.661 174.900 -0.589 0.000 1.242 380 G CA 0.811 45.283 45.100 -1.046 0.000 0.878 380 G HN 1.811 nan 8.290 nan 0.000 0.493 381 V N 2.242 121.899 119.914 -0.427 0.000 2.328 381 V HA 0.815 4.936 4.120 0.001 0.000 0.278 381 V C 0.486 176.414 176.094 -0.277 0.000 1.021 381 V CA 0.668 62.795 62.300 -0.287 0.000 0.838 381 V CB 0.319 32.059 31.823 -0.138 0.000 0.999 381 V HN 1.813 nan 8.190 nan 0.000 0.447 382 A N 4.358 127.030 122.820 -0.247 0.000 2.490 382 A HA 0.719 5.039 4.320 0.001 0.000 0.292 382 A C -1.001 176.543 177.584 -0.066 0.000 1.047 382 A CA -0.461 51.473 52.037 -0.172 0.000 0.632 382 A CB 0.484 19.363 19.000 -0.202 0.000 1.323 382 A HN 1.103 nan 8.150 nan 0.000 0.448 387 F N 2.589 122.511 119.950 -0.047 0.000 2.616 387 F HA -0.170 4.357 4.527 0.001 0.000 0.399 387 F C 0.769 176.529 175.800 -0.066 0.000 1.110 387 F CA 0.144 58.108 58.000 -0.060 0.000 1.278 387 F CB -1.706 37.276 39.000 -0.029 0.000 1.799 387 F HN 0.349 nan 8.300 nan 0.000 0.784 388 R N -2.725 117.771 120.500 -0.006 0.000 3.951 388 R HA -0.191 4.149 4.340 0.001 0.000 0.352 388 R C 1.068 177.413 176.300 0.076 0.000 1.178 388 R CA 0.895 56.976 56.100 -0.033 0.000 0.949 388 R CB -2.388 27.949 30.300 0.061 0.000 1.452 388 R HN 0.465 nan 8.270 nan 0.000 0.540 389 V N 0.728 120.651 119.914 0.015 0.000 2.667 389 V HA -0.200 3.920 4.120 0.001 0.000 0.252 389 V C 2.491 178.611 176.094 0.043 0.000 1.065 389 V CA 2.390 64.692 62.300 0.004 0.000 1.083 389 V CB -0.586 31.202 31.823 -0.059 0.000 0.692 389 V HN 0.557 nan 8.190 nan 0.000 0.468 390 T N -0.381 114.182 114.554 0.015 0.000 2.684 390 T HA -0.267 4.083 4.350 0.001 0.000 0.267 390 T C 1.686 176.532 174.700 0.243 0.000 1.036 390 T CA 1.766 63.914 62.100 0.080 0.000 1.148 390 T CB -0.387 68.469 68.868 -0.020 0.000 0.863 390 T HN 0.464 nan 8.240 nan 0.000 0.436 391 E N 1.787 122.055 120.200 0.114 0.000 2.150 391 E HA 0.163 4.513 4.350 0.001 0.000 0.193 391 E C 2.482 179.456 176.600 0.624 0.000 0.985 391 E CA 1.020 57.634 56.400 0.357 0.000 0.814 391 E CB -0.604 29.141 29.700 0.075 0.000 0.752 391 E HN 0.649 nan 8.360 nan 0.000 0.466 392 A N 0.426 123.516 122.820 0.450 0.000 1.855 392 A HA -0.141 4.179 4.320 0.001 0.000 0.215 392 A C 2.458 180.120 177.584 0.129 0.000 1.191 392 A CA 1.333 53.424 52.037 0.089 0.000 0.613 392 A CB -0.751 18.149 19.000 -0.166 0.000 0.829 392 A HN 0.147 nan 8.150 nan 0.000 0.442 393 V N -1.526 118.479 119.914 0.151 0.000 2.295 393 V HA -0.274 3.846 4.120 0.001 0.000 0.246 393 V C 2.355 178.562 176.094 0.189 0.000 1.049 393 V CA 2.118 64.501 62.300 0.138 0.000 1.024 393 V CB -0.989 30.876 31.823 0.069 0.000 0.648 393 V HN 0.686 nan 8.190 nan 0.000 0.447 394 Y N -0.110 120.278 120.300 0.146 0.000 2.181 394 Y HA -0.217 4.334 4.550 0.001 0.000 0.288 394 Y C 2.390 178.368 175.900 0.129 0.000 1.146 394 Y CA 1.648 59.818 58.100 0.117 0.000 1.164 394 Y CB -0.062 38.469 38.460 0.119 0.000 0.982 394 Y HN 0.119 nan 8.280 nan 0.000 0.515 395 L N -0.123 121.317 121.223 0.362 0.000 1.976 395 L HA -0.215 4.126 4.340 0.001 0.000 0.209 395 L C 2.340 179.303 176.870 0.155 0.000 1.071 395 L CA 2.058 57.066 54.840 0.279 0.000 0.746 395 L CB -1.205 41.090 42.059 0.394 0.000 0.890 395 L HN 0.424 nan 8.230 nan 0.000 0.432 396 I N 0.701 121.369 120.570 0.162 0.000 2.163 396 I HA -0.259 3.912 4.170 0.001 0.000 0.243 396 I C 2.539 178.739 176.117 0.138 0.000 1.085 396 I CA 1.485 62.889 61.300 0.173 0.000 1.347 396 I CB -0.419 37.722 38.000 0.236 0.000 1.044 396 I HN 0.304 nan 8.210 nan 0.000 0.408 397 E N 0.376 120.641 120.200 0.108 0.000 2.106 397 E HA -0.171 4.179 4.350 0.001 0.000 0.192 397 E C 2.349 178.929 176.600 -0.034 0.000 0.984 397 E CA 0.778 57.213 56.400 0.058 0.000 0.806 397 E CB -0.360 29.363 29.700 0.038 0.000 0.750 397 E HN 0.481 nan 8.360 nan 0.000 0.458 398 R N -0.008 120.426 120.500 -0.110 0.000 2.075 398 R HA 0.002 4.343 4.340 0.001 0.000 0.232 398 R C 2.219 178.491 176.300 -0.047 0.000 1.126 398 R CA 0.790 56.810 56.100 -0.133 0.000 0.963 398 R CB -0.323 29.827 30.300 -0.250 0.000 0.858 398 R HN 0.219 nan 8.270 nan 0.000 0.435 399 M N 0.238 119.831 119.600 -0.010 0.000 2.117 399 M HA -0.094 4.386 4.480 0.001 0.000 0.262 399 M C 2.386 178.683 176.300 -0.006 0.000 1.065 399 M CA 1.170 56.481 55.300 0.019 0.000 1.114 399 M CB -0.909 31.732 32.600 0.068 0.000 1.361 399 M HN -0.120 nan 8.290 nan 0.000 0.408 400 V N 0.540 120.433 119.914 -0.034 0.000 2.490 400 V HA -0.238 3.883 4.120 0.001 0.000 0.250 400 V C 1.833 177.881 176.094 -0.076 0.000 1.061 400 V CA 1.606 63.843 62.300 -0.106 0.000 1.064 400 V CB -0.747 30.953 31.823 -0.205 0.000 0.670 400 V HN 0.326 nan 8.190 nan 0.000 0.461 401 D N -0.134 120.241 120.400 -0.041 0.000 2.149 401 D HA -0.094 4.547 4.640 0.001 0.000 0.201 401 D C 2.169 178.465 176.300 -0.006 0.000 0.972 401 D CA 1.005 54.992 54.000 -0.021 0.000 0.835 401 D CB -0.168 40.626 40.800 -0.010 0.000 0.966 401 D HN 0.303 nan 8.370 nan 0.000 0.476 402 V N 1.065 120.979 119.914 0.001 0.000 2.307 402 V HA -0.200 3.920 4.120 0.001 0.000 0.245 402 V C 2.447 178.546 176.094 0.009 0.000 1.045 402 V CA 1.025 63.336 62.300 0.018 0.000 1.024 402 V CB -0.430 31.412 31.823 0.030 0.000 0.651 402 V HN 0.146 nan 8.190 nan 0.000 0.449 403 L N 1.048 122.268 121.223 -0.006 0.000 2.012 403 L HA -0.110 4.231 4.340 0.001 0.000 0.210 403 L C 2.472 179.325 176.870 -0.027 0.000 1.073 403 L CA 2.473 57.302 54.840 -0.018 0.000 0.748 403 L CB -1.050 40.983 42.059 -0.044 0.000 0.891 403 L HN 0.226 nan 8.230 nan 0.000 0.431 404 A N -1.255 121.541 122.820 -0.039 0.000 1.940 404 A HA -0.269 4.051 4.320 0.001 0.000 0.219 404 A C 2.207 179.784 177.584 -0.011 0.000 1.176 404 A CA 1.934 53.951 52.037 -0.034 0.000 0.631 404 A CB -0.592 18.384 19.000 -0.039 0.000 0.814 404 A HN 0.690 nan 8.150 nan 0.000 0.446 405 Q N -1.065 118.735 119.800 0.000 0.000 2.230 405 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 405 Q C 2.107 178.114 176.000 0.011 0.000 0.963 405 Q CA 1.447 57.257 55.803 0.012 0.000 0.866 405 Q CB -0.082 28.669 28.738 0.021 0.000 0.931 405 Q HN 0.721 nan 8.270 nan 0.000 0.452 406 K N 0.739 121.144 120.400 0.009 0.000 2.103 406 K HA -0.049 4.271 4.320 0.001 0.000 0.204 406 K C 1.602 178.204 176.600 0.003 0.000 1.052 406 K CA 0.680 56.973 56.287 0.010 0.000 0.945 406 K CB 0.181 32.689 32.500 0.014 0.000 0.722 406 K HN 0.140 nan 8.250 nan 0.000 0.443 407 L N 0.344 121.564 121.223 -0.005 0.000 2.558 407 L HA 0.070 4.410 4.340 0.001 0.000 0.225 407 L C 0.218 177.084 176.870 -0.006 0.000 1.128 407 L CA 0.100 54.934 54.840 -0.010 0.000 0.868 407 L CB -0.403 41.644 42.059 -0.020 0.000 1.006 407 L HN 0.365 nan 8.230 nan 0.000 0.454 408 N N 0.396 119.096 118.700 -0.001 0.000 2.754 408 N HA -0.235 4.505 4.740 0.001 0.000 0.248 408 N C 0.017 175.527 175.510 0.000 0.000 1.093 408 N CA 0.346 53.398 53.050 0.003 0.000 0.699 408 N CB -0.479 38.010 38.487 0.003 0.000 1.016 408 N HN 0.314 nan 8.380 nan 0.000 0.552 409 M N 0.244 119.842 119.600 -0.005 0.000 2.472 409 M HA 0.262 4.742 4.480 0.001 0.000 0.331 409 M C -0.210 176.092 176.300 0.003 0.000 1.170 409 M CA -0.713 54.583 55.300 -0.007 0.000 1.009 409 M CB 0.944 33.530 32.600 -0.023 0.000 1.672 409 M HN 0.161 nan 8.290 nan 0.000 0.453 410 D N 2.313 122.724 120.400 0.018 0.000 2.458 410 D HA 0.021 4.662 4.640 0.001 0.000 0.243 410 D C 0.455 176.774 176.300 0.032 0.000 1.146 410 D CA 0.599 54.630 54.000 0.053 0.000 0.877 410 D CB 0.938 41.794 40.800 0.093 0.000 1.176 410 D HN 0.588 nan 8.370 nan 0.000 0.461 411 K N 2.605 123.038 120.400 0.055 0.000 2.360 411 K HA -0.089 4.232 4.320 0.001 0.000 0.201 411 K C 1.447 178.020 176.600 -0.045 0.000 1.046 411 K CA 0.990 57.282 56.287 0.008 0.000 0.945 411 K CB 0.095 32.617 32.500 0.036 0.000 0.750 411 K HN 0.469 nan 8.250 nan 0.000 0.464 412 A N 0.924 123.716 122.820 -0.048 0.000 1.956 412 A HA -0.066 4.254 4.320 0.001 0.000 0.212 412 A C 1.979 179.491 177.584 -0.120 0.000 1.188 412 A CA 0.567 52.511 52.037 -0.156 0.000 0.675 412 A CB -0.095 18.683 19.000 -0.371 0.000 0.845 412 A HN 0.251 nan 8.150 nan 0.000 0.455 413 E N -0.089 120.077 120.200 -0.056 0.000 2.077 413 E HA -0.164 4.186 4.350 0.001 0.000 0.193 413 E C 1.805 178.346 176.600 -0.098 0.000 0.989 413 E CA 1.240 57.613 56.400 -0.045 0.000 0.800 413 E CB -0.159 29.539 29.700 -0.003 0.000 0.746 413 E HN 0.622 nan 8.360 nan 0.000 0.452 414 I N 0.306 120.803 120.570 -0.121 0.000 2.493 414 I HA -0.230 3.941 4.170 0.001 0.000 0.254 414 I C 2.177 178.120 176.117 -0.291 0.000 1.160 414 I CA 0.882 62.080 61.300 -0.171 0.000 1.445 414 I CB 0.052 37.958 38.000 -0.157 0.000 1.086 414 I HN 0.063 nan 8.210 nan 0.000 0.433 415 R N 0.418 120.707 120.500 -0.353 0.000 2.075 415 R HA 0.021 4.362 4.340 0.001 0.000 0.226 415 R C 2.370 178.114 176.300 -0.927 0.000 1.114 415 R CA 1.204 56.941 56.100 -0.605 0.000 0.972 415 R CB -0.394 29.602 30.300 -0.506 0.000 0.869 415 R HN 0.372 nan 8.270 nan 0.000 0.437 416 A N 1.207 123.693 122.820 -0.556 0.000 2.070 416 A HA -0.204 4.117 4.320 0.001 0.000 0.220 416 A C 1.984 179.571 177.584 0.006 0.000 1.159 416 A CA 1.485 53.399 52.037 -0.205 0.000 0.656 416 A CB -0.200 18.847 19.000 0.078 0.000 0.800 416 A HN 0.082 nan 8.150 nan 0.000 0.453 417 K N 0.072 120.414 120.400 -0.096 0.000 2.228 417 K HA 0.049 4.370 4.320 0.001 0.000 0.202 417 K C 1.269 177.859 176.600 -0.016 0.000 1.051 417 K CA 1.394 57.664 56.287 -0.028 0.000 0.960 417 K CB -0.040 32.418 32.500 -0.069 0.000 0.743 417 K HN 0.516 nan 8.250 nan 0.000 0.458 418 N N -0.539 118.110 118.700 -0.085 0.000 2.220 418 N HA 0.026 4.767 4.740 0.001 0.000 0.195 418 N C -0.628 175.041 175.510 0.265 0.000 1.123 418 N CA -0.073 52.995 53.050 0.029 0.000 0.874 418 N CB 0.341 38.749 38.487 -0.131 0.000 0.995 418 N HN -0.007 nan 8.380 nan 0.000 0.498 419 F N 1.992 122.075 119.950 0.221 0.000 2.629 419 F HA 0.058 4.586 4.527 0.001 0.000 0.369 419 F C 1.325 177.132 175.800 0.011 0.000 1.125 419 F CA -0.575 57.491 58.000 0.111 0.000 1.330 419 F CB 0.121 38.997 39.000 -0.208 0.000 1.071 419 F HN -0.150 nan 8.300 nan 0.000 0.595 420 I N 4.822 125.454 120.570 0.103 0.000 2.517 420 I HA 0.047 4.218 4.170 0.001 0.000 0.285 420 I C 0.710 176.659 176.117 -0.279 0.000 1.106 420 I CA -0.041 61.029 61.300 -0.384 0.000 1.402 420 I CB 0.258 37.728 38.000 -0.883 0.000 1.399 420 I HN 0.425 nan 8.210 nan 0.000 0.535 421 R N 5.180 125.573 120.500 -0.179 0.000 2.694 421 R HA 0.039 4.379 4.340 0.001 0.000 0.268 421 R C 1.393 177.640 176.300 -0.089 0.000 1.061 421 R CA -0.368 55.715 56.100 -0.027 0.000 1.133 421 R CB 0.621 30.904 30.300 -0.029 0.000 1.020 421 R HN 0.545 nan 8.270 nan 0.000 0.475 422 K N 1.972 122.401 120.400 0.049 0.000 2.113 422 K HA -0.243 4.077 4.320 0.001 0.000 0.208 422 K C 0.753 177.455 176.600 0.169 0.000 1.047 422 K CA 2.081 58.458 56.287 0.149 0.000 0.928 422 K CB 0.185 32.706 32.500 0.035 0.000 0.716 422 K HN 0.497 nan 8.250 nan 0.000 0.446 423 E N 0.343 120.567 120.200 0.041 0.000 2.418 423 E HA -0.121 4.229 4.350 0.001 0.000 0.197 423 E C 1.489 178.085 176.600 -0.006 0.000 1.026 423 E CA 0.726 57.141 56.400 0.024 0.000 0.862 423 E CB 0.106 29.804 29.700 -0.004 0.000 0.799 423 E HN 0.429 nan 8.360 nan 0.000 0.518 424 Q N -0.406 119.328 119.800 -0.111 0.000 2.425 424 Q HA 0.091 4.431 4.340 0.001 0.000 0.204 424 Q C -0.349 175.528 176.000 -0.204 0.000 0.933 424 Q CA 0.026 55.717 55.803 -0.187 0.000 0.939 424 Q CB 0.217 28.766 28.738 -0.315 0.000 1.044 424 Q HN 0.240 nan 8.270 nan 0.000 0.513 425 F N 2.585 122.532 119.950 -0.005 0.000 2.399 425 F HA 0.216 4.744 4.527 0.001 0.000 0.342 425 F C -1.582 174.242 175.800 0.041 0.000 1.106 425 F CA -2.771 55.245 58.000 0.027 0.000 1.196 425 F CB 0.273 39.258 39.000 -0.026 0.000 1.163 425 F HN -0.059 nan 8.300 nan 0.000 0.547 426 P HA -0.019 nan 4.420 nan 0.000 0.271 426 P C -1.315 176.076 177.300 0.151 0.000 1.233 426 P CA 0.033 63.289 63.100 0.260 0.000 0.764 426 P CB 0.266 32.083 31.700 0.195 0.000 0.825 427 Y N 2.874 123.152 120.300 -0.037 0.000 2.320 427 Y HA 0.304 4.854 4.550 0.001 0.000 0.334 427 Y C -0.127 175.676 175.900 -0.162 0.000 1.055 427 Y CA -0.110 57.845 58.100 -0.241 0.000 1.143 427 Y CB 1.191 39.282 38.460 -0.614 0.000 1.193 427 Y HN 0.230 nan 8.280 nan 0.000 0.477 428 T N 5.592 119.695 114.554 -0.752 0.000 2.749 428 T HA 0.268 4.619 4.350 0.001 0.000 0.287 428 T C 0.077 174.234 174.700 -0.905 0.000 0.970 428 T CA -0.594 61.183 62.100 -0.539 0.000 0.980 428 T CB 0.377 69.077 68.868 -0.280 0.000 0.924 428 T HN 0.769 nan 8.240 nan 0.000 0.456 429 T N 0.745 115.020 114.554 -0.465 0.000 2.788 429 T HA 0.153 4.504 4.350 0.001 0.000 0.280 429 T C 1.648 176.300 174.700 -0.081 0.000 0.984 429 T CA -0.851 61.112 62.100 -0.228 0.000 0.972 429 T CB 0.729 69.703 68.868 0.177 0.000 1.039 429 T HN 0.651 nan 8.240 nan 0.000 0.530 430 Q N -0.302 119.462 119.800 -0.060 0.000 2.368 430 Q HA -0.101 4.240 4.340 0.001 0.000 0.210 430 Q C 0.907 176.784 176.000 -0.206 0.000 0.982 430 Q CA 1.481 57.178 55.803 -0.176 0.000 0.884 430 Q CB -0.568 27.998 28.738 -0.287 0.000 0.933 430 Q HN 0.720 nan 8.270 nan 0.000 0.460 431 F N -0.030 120.025 119.950 0.175 0.000 2.749 431 F HA 0.368 4.895 4.527 0.001 0.000 0.300 431 F C 1.566 177.482 175.800 0.193 0.000 1.103 431 F CA 0.461 58.613 58.000 0.253 0.000 1.342 431 F CB 0.998 40.245 39.000 0.412 0.000 1.098 431 F HN 0.269 nan 8.300 nan 0.000 0.586 432 G N -0.380 108.568 108.800 0.247 0.000 2.176 432 G HA2 -0.269 3.692 3.960 0.001 0.000 0.232 432 G HA3 -0.269 3.692 3.960 0.001 0.000 0.232 432 G C 0.207 175.151 174.900 0.073 0.000 0.986 432 G CA -0.633 44.535 45.100 0.114 0.000 0.643 432 G HN 0.119 nan 8.290 nan 0.000 0.522 433 F N 1.374 121.466 119.950 0.236 0.000 2.429 433 F HA 0.515 5.043 4.527 0.001 0.000 0.348 433 F C 0.990 176.931 175.800 0.236 0.000 1.109 433 F CA -0.038 58.136 58.000 0.290 0.000 1.232 433 F CB 1.140 40.388 39.000 0.415 0.000 1.157 433 F HN 0.086 nan 8.300 nan 0.000 0.564 434 E N 3.465 123.923 120.200 0.429 0.000 2.173 434 E HA 0.162 4.512 4.350 0.001 0.000 0.249 434 E C -1.357 175.240 176.600 -0.005 0.000 0.923 434 E CA -0.719 55.812 56.400 0.217 0.000 0.754 434 E CB 0.251 30.061 29.700 0.182 0.000 1.177 434 E HN 0.389 nan 8.360 nan 0.000 0.430 435 Y N 3.243 123.302 120.300 -0.402 0.000 2.729 435 Y HA -0.095 4.456 4.550 0.001 0.000 0.331 435 Y C 1.438 177.269 175.900 -0.116 0.000 1.208 435 Y CA -0.364 57.313 58.100 -0.704 0.000 1.521 435 Y CB 0.247 38.748 38.460 0.068 0.000 1.233 435 Y HN 0.624 nan 8.280 nan 0.000 0.539 436 D N 0.254 120.691 120.400 0.062 0.000 2.097 436 D HA -0.081 4.560 4.640 0.001 0.000 0.197 436 D C 0.165 176.574 176.300 0.181 0.000 0.984 436 D CA 1.448 55.623 54.000 0.291 0.000 0.826 436 D CB -0.082 40.987 40.800 0.448 0.000 0.973 436 D HN 0.362 nan 8.370 nan 0.000 0.460 437 S N -3.040 112.628 115.700 -0.053 0.000 2.595 437 S HA 0.694 5.164 4.470 0.001 0.000 0.270 437 S C -0.393 173.510 174.600 -1.163 0.000 1.145 437 S CA -0.550 57.343 58.200 -0.511 0.000 0.825 437 S CB 1.863 64.942 63.200 -0.202 0.000 1.107 437 S HN 0.849 nan 8.310 nan 0.000 0.461 438 G N -0.399 107.407 108.800 -1.657 0.000 2.387 438 G HA2 0.516 4.476 3.960 0.001 0.000 0.294 438 G HA3 0.516 4.476 3.960 0.001 0.000 0.294 438 G C -2.441 171.809 174.900 -1.083 0.000 1.509 438 G CA -0.330 43.862 45.100 -1.514 0.000 0.806 438 G HN 0.849 nan 8.290 nan 0.000 0.546 439 D N -0.465 119.351 120.400 -0.973 0.000 2.826 439 D HA 0.180 4.820 4.640 0.001 0.000 0.239 439 D C 0.081 176.130 176.300 -0.418 0.000 1.329 439 D CA -0.506 53.218 54.000 -0.461 0.000 0.854 439 D CB 0.074 40.806 40.800 -0.113 0.000 1.494 439 D HN 0.197 nan 8.370 nan 0.000 0.540 440 Y N 0.407 120.271 120.300 -0.727 0.000 2.263 440 Y HA -0.016 4.535 4.550 0.001 0.000 0.292 440 Y C 2.024 177.509 175.900 -0.691 0.000 1.130 440 Y CA 0.960 58.450 58.100 -1.017 0.000 1.179 440 Y CB -0.867 36.435 38.460 -1.930 0.000 0.998 440 Y HN 0.463 nan 8.280 nan 0.000 0.532 441 H N -0.868 118.101 119.070 -0.167 0.000 2.321 441 H HA -0.114 4.443 4.556 0.001 0.000 0.300 441 H C 2.179 177.541 175.328 0.057 0.000 1.087 441 H CA 2.231 58.319 56.048 0.066 0.000 1.319 441 H CB -0.525 29.296 29.762 0.097 0.000 1.379 441 H HN 0.166 nan 8.280 nan 0.000 0.501 442 T N 0.352 114.996 114.554 0.150 0.000 2.708 442 T HA -0.183 4.168 4.350 0.001 0.000 0.266 442 T C 2.385 177.147 174.700 0.104 0.000 1.037 442 T CA 1.225 63.390 62.100 0.108 0.000 1.146 442 T CB -0.560 68.356 68.868 0.080 0.000 0.865 442 T HN 0.499 nan 8.240 nan 0.000 0.435 443 A N 1.313 124.207 122.820 0.123 0.000 1.902 443 A HA -0.027 4.293 4.320 0.001 0.000 0.217 443 A C 2.265 179.919 177.584 0.116 0.000 1.181 443 A CA 1.407 53.530 52.037 0.144 0.000 0.623 443 A CB -0.830 18.333 19.000 0.272 0.000 0.818 443 A HN 0.402 nan 8.150 nan 0.000 0.443 444 L N 0.095 121.381 121.223 0.106 0.000 1.994 444 L HA -0.136 4.204 4.340 0.001 0.000 0.208 444 L C 2.326 179.241 176.870 0.076 0.000 1.071 444 L CA 2.770 57.680 54.840 0.117 0.000 0.745 444 L CB -0.648 41.547 42.059 0.228 0.000 0.892 444 L HN 0.471 nan 8.230 nan 0.000 0.431 445 K N -0.327 120.129 120.400 0.092 0.000 2.063 445 K HA -0.292 4.029 4.320 0.001 0.000 0.208 445 K C 2.344 178.965 176.600 0.035 0.000 1.048 445 K CA 2.019 58.343 56.287 0.062 0.000 0.928 445 K CB -0.219 32.327 32.500 0.077 0.000 0.713 445 K HN 0.345 nan 8.250 nan 0.000 0.442 446 K N 0.259 120.688 120.400 0.049 0.000 2.032 446 K HA -0.147 4.173 4.320 0.001 0.000 0.209 446 K C 1.919 178.518 176.600 -0.002 0.000 1.048 446 K CA 1.774 58.084 56.287 0.039 0.000 0.927 446 K CB -0.039 32.501 32.500 0.067 0.000 0.712 446 K HN 0.036 nan 8.250 nan 0.000 0.441 447 V N 1.765 121.685 119.914 0.010 0.000 2.295 447 V HA -0.257 3.864 4.120 0.001 0.000 0.246 447 V C 2.313 178.295 176.094 -0.187 0.000 1.049 447 V CA 1.621 63.859 62.300 -0.103 0.000 1.024 447 V CB -0.404 31.454 31.823 0.059 0.000 0.648 447 V HN 0.335 nan 8.190 nan 0.000 0.447 448 L N -0.141 121.024 121.223 -0.097 0.000 2.042 448 L HA -0.206 4.134 4.340 0.001 0.000 0.210 448 L C 2.386 179.243 176.870 -0.022 0.000 1.076 448 L CA 1.733 56.532 54.840 -0.068 0.000 0.749 448 L CB -0.874 41.134 42.059 -0.086 0.000 0.893 448 L HN 0.352 nan 8.230 nan 0.000 0.432 449 D N 0.336 120.717 120.400 -0.033 0.000 2.117 449 D HA -0.124 4.516 4.640 0.001 0.000 0.198 449 D C 2.275 178.537 176.300 -0.064 0.000 0.982 449 D CA 1.457 55.444 54.000 -0.021 0.000 0.828 449 D CB -0.127 40.670 40.800 -0.006 0.000 0.967 449 D HN 0.270 nan 8.370 nan 0.000 0.464 450 A N 0.641 123.373 122.820 -0.146 0.000 1.940 450 A HA -0.153 4.167 4.320 0.001 0.000 0.219 450 A C 2.219 179.664 177.584 -0.231 0.000 1.176 450 A CA 2.107 54.009 52.037 -0.226 0.000 0.631 450 A CB -0.539 18.177 19.000 -0.474 0.000 0.814 450 A HN 0.275 nan 8.150 nan 0.000 0.446 451 V N -4.438 115.331 119.914 -0.242 0.000 3.621 451 V HA 0.231 4.351 4.120 0.001 0.000 0.285 451 V C 0.356 176.435 176.094 -0.025 0.000 1.346 451 V CA 0.543 62.769 62.300 -0.124 0.000 1.104 451 V CB -0.245 31.506 31.823 -0.120 0.000 0.913 451 V HN 0.463 nan 8.190 nan 0.000 0.432 452 D N -0.001 120.393 120.400 -0.010 0.000 2.746 452 D HA -0.298 4.342 4.640 0.001 0.000 0.241 452 D C 0.410 176.738 176.300 0.047 0.000 1.140 452 D CA 0.871 54.882 54.000 0.019 0.000 0.707 452 D CB -1.314 39.486 40.800 -0.000 0.000 1.034 452 D HN 0.716 nan 8.370 nan 0.000 0.423 453 Y N 1.079 121.350 120.300 -0.047 0.000 2.102 453 Y HA -0.162 4.389 4.550 0.001 0.000 0.280 453 Y C -0.739 175.145 175.900 -0.026 0.000 1.178 453 Y CA 2.682 60.760 58.100 -0.037 0.000 1.146 453 Y CB -0.836 37.606 38.460 -0.031 0.000 0.968 453 Y HN 0.295 nan 8.280 nan 0.000 0.504 454 P HA -0.182 nan 4.420 nan 0.000 0.217 454 P C 1.324 178.537 177.300 -0.144 0.000 1.150 454 P CA 2.286 65.310 63.100 -0.126 0.000 0.832 454 P CB -0.310 31.384 31.700 -0.008 0.000 0.787 455 A N 0.105 122.872 122.820 -0.089 0.000 1.933 455 A HA -0.113 4.208 4.320 0.001 0.000 0.218 455 A C 2.441 179.963 177.584 -0.104 0.000 1.175 455 A CA 1.206 53.197 52.037 -0.075 0.000 0.628 455 A CB -1.540 17.436 19.000 -0.041 0.000 0.814 455 A HN 0.125 nan 8.150 nan 0.000 0.444 456 L N -1.222 119.919 121.223 -0.137 0.000 2.056 456 L HA -0.147 4.193 4.340 0.001 0.000 0.207 456 L C 2.833 179.585 176.870 -0.196 0.000 1.078 456 L CA 0.905 55.658 54.840 -0.145 0.000 0.749 456 L CB -0.465 41.513 42.059 -0.135 0.000 0.901 456 L HN 0.247 nan 8.230 nan 0.000 0.433 457 R N 0.231 120.550 120.500 -0.302 0.000 2.092 457 R HA -0.059 4.281 4.340 0.001 0.000 0.231 457 R C 2.301 178.500 176.300 -0.169 0.000 1.119 457 R CA 1.422 57.355 56.100 -0.278 0.000 0.970 457 R CB -0.884 29.197 30.300 -0.366 0.000 0.864 457 R HN 0.341 nan 8.270 nan 0.000 0.440 458 A N 0.953 123.689 122.820 -0.140 0.000 1.933 458 A HA -0.185 4.135 4.320 0.001 0.000 0.218 458 A C 2.128 179.662 177.584 -0.084 0.000 1.175 458 A CA 1.564 53.545 52.037 -0.094 0.000 0.628 458 A CB -0.361 18.595 19.000 -0.074 0.000 0.814 458 A HN 0.436 nan 8.150 nan 0.000 0.444 459 E N -0.513 119.635 120.200 -0.088 0.000 2.047 459 E HA -0.263 4.087 4.350 0.001 0.000 0.191 459 E C 2.208 178.756 176.600 -0.086 0.000 0.987 459 E CA 1.249 57.604 56.400 -0.074 0.000 0.799 459 E CB -0.217 29.443 29.700 -0.066 0.000 0.752 459 E HN 0.756 nan 8.360 nan 0.000 0.449 460 Q N 0.025 119.761 119.800 -0.107 0.000 2.135 460 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 460 Q C 1.969 177.890 176.000 -0.131 0.000 0.981 460 Q CA 1.466 57.193 55.803 -0.127 0.000 0.856 460 Q CB -0.158 28.495 28.738 -0.142 0.000 0.902 460 Q HN 0.337 nan 8.270 nan 0.000 0.425 461 A N 0.636 123.392 122.820 -0.107 0.000 1.898 461 A HA -0.077 4.244 4.320 0.001 0.000 0.216 461 A C 2.265 179.807 177.584 -0.069 0.000 1.181 461 A CA 1.519 53.505 52.037 -0.086 0.000 0.620 461 A CB -0.889 18.069 19.000 -0.070 0.000 0.819 461 A HN 0.558 nan 8.150 nan 0.000 0.442 462 A N -0.099 122.682 122.820 -0.065 0.000 1.858 462 A HA -0.167 4.153 4.320 0.001 0.000 0.216 462 A C 2.256 179.809 177.584 -0.051 0.000 1.190 462 A CA 1.510 53.517 52.037 -0.050 0.000 0.617 462 A CB -0.514 18.459 19.000 -0.045 0.000 0.827 462 A HN 0.514 nan 8.150 nan 0.000 0.443 463 R N -0.786 119.674 120.500 -0.066 0.000 2.096 463 R HA -0.087 4.253 4.340 0.001 0.000 0.235 463 R C 2.376 178.634 176.300 -0.070 0.000 1.127 463 R CA 1.463 57.523 56.100 -0.067 0.000 0.968 463 R CB -0.283 29.967 30.300 -0.084 0.000 0.861 463 R HN 0.491 nan 8.270 nan 0.000 0.440 464 R N 0.065 120.506 120.500 -0.099 0.000 2.148 464 R HA -0.031 4.310 4.340 0.001 0.000 0.227 464 R C 2.224 178.524 176.300 0.001 0.000 1.103 464 R CA 1.080 57.135 56.100 -0.074 0.000 0.983 464 R CB -0.184 30.034 30.300 -0.136 0.000 0.874 464 R HN 0.185 nan 8.270 nan 0.000 0.451 465 A N 1.041 123.852 122.820 -0.016 0.000 1.930 465 A HA -0.130 4.190 4.320 0.001 0.000 0.217 465 A C 0.771 178.354 177.584 -0.002 0.000 1.175 465 A CA 0.863 52.897 52.037 -0.005 0.000 0.627 465 A CB -0.148 18.844 19.000 -0.014 0.000 0.815 465 A HN 0.151 nan 8.150 nan 0.000 0.443 466 D N -0.746 119.650 120.400 -0.008 0.000 2.339 466 D HA 0.349 4.990 4.640 0.001 0.000 0.241 466 D C -2.005 174.296 176.300 0.001 0.000 1.183 466 D CA -2.248 51.749 54.000 -0.005 0.000 0.859 466 D CB 1.184 41.977 40.800 -0.011 0.000 1.067 466 D HN -0.001 nan 8.370 nan 0.000 0.484 467 P HA 0.006 nan 4.420 nan 0.000 0.230 467 P C -0.176 177.126 177.300 0.003 0.000 1.158 467 P CA 0.809 63.914 63.100 0.007 0.000 0.769 467 P CB 0.205 31.907 31.700 0.004 0.000 0.807 468 N N -1.836 116.864 118.700 0.000 0.000 2.214 468 N HA 0.046 4.787 4.740 0.001 0.000 0.214 468 N C 0.000 175.509 175.510 -0.003 0.000 1.132 468 N CA -0.117 52.933 53.050 0.000 0.000 0.856 468 N CB 0.114 38.601 38.487 0.001 0.000 1.020 468 N HN -0.101 nan 8.380 nan 0.000 0.509 469 S N 2.427 118.123 115.700 -0.007 0.000 2.515 469 S HA 0.068 4.538 4.470 0.001 0.000 0.285 469 S C -1.093 173.500 174.600 -0.012 0.000 1.265 469 S CA -1.343 56.849 58.200 -0.014 0.000 1.079 469 S CB 0.557 63.742 63.200 -0.026 0.000 0.877 469 S HN 0.193 nan 8.310 nan 0.000 0.493 470 P HA -0.010 nan 4.420 nan 0.000 0.228 470 P C 0.346 177.645 177.300 -0.003 0.000 1.151 470 P CA 0.789 63.889 63.100 0.001 0.000 0.770 470 P CB -0.267 31.436 31.700 0.006 0.000 0.786 471 T N -3.056 111.488 114.554 -0.017 0.000 2.903 471 T HA 0.605 4.956 4.350 0.001 0.000 0.299 471 T C -0.526 174.139 174.700 -0.058 0.000 1.093 471 T CA -0.964 61.120 62.100 -0.026 0.000 1.002 471 T CB 1.567 70.427 68.868 -0.014 0.000 1.127 471 T HN -0.171 nan 8.240 nan 0.000 0.488 472 L N 2.187 123.360 121.223 -0.084 0.000 2.325 472 L HA 0.583 4.924 4.340 0.001 0.000 0.279 472 L C 0.101 176.905 176.870 -0.109 0.000 1.054 472 L CA -0.980 53.777 54.840 -0.138 0.000 0.804 472 L CB 1.663 43.585 42.059 -0.229 0.000 1.200 472 L HN 0.632 nan 8.230 nan 0.000 0.436 473 M N 1.999 121.520 119.600 -0.133 0.000 2.205 473 M HA 0.600 5.080 4.480 0.001 0.000 0.344 473 M C -0.411 175.835 176.300 -0.089 0.000 1.085 473 M CA -0.291 54.954 55.300 -0.091 0.000 1.001 473 M CB 1.551 34.096 32.600 -0.092 0.000 1.626 473 M HN 0.621 nan 8.290 nan 0.000 0.442 474 G N 5.664 114.445 108.800 -0.032 0.000 2.566 474 G HA2 0.728 4.689 3.960 0.001 0.000 0.311 474 G HA3 0.728 4.689 3.960 0.001 0.000 0.311 474 G C -1.488 173.422 174.900 0.017 0.000 1.322 474 G CA -0.616 44.480 45.100 -0.006 0.000 0.969 474 G HN 0.770 nan 8.290 nan 0.000 0.490 475 I N 1.443 122.024 120.570 0.018 0.000 2.436 475 I HA 0.551 4.721 4.170 0.001 0.000 0.289 475 I C 0.479 176.629 176.117 0.055 0.000 1.010 475 I CA -0.786 60.539 61.300 0.041 0.000 1.098 475 I CB 2.452 40.478 38.000 0.043 0.000 1.266 475 I HN 0.566 nan 8.210 nan 0.000 0.434 476 G N 5.971 114.793 108.800 0.037 0.000 2.461 476 G HA2 0.709 4.669 3.960 0.001 0.000 0.323 476 G HA3 0.709 4.669 3.960 0.001 0.000 0.323 476 G C -1.727 173.170 174.900 -0.005 0.000 1.229 476 G CA -0.428 44.682 45.100 0.016 0.000 0.941 476 G HN 0.400 nan 8.290 nan 0.000 0.477 477 L N 2.612 123.843 121.223 0.012 0.000 2.438 477 L HA 0.756 5.097 4.340 0.001 0.000 0.270 477 L C -1.189 175.703 176.870 0.038 0.000 0.972 477 L CA -0.708 54.139 54.840 0.012 0.000 0.831 477 L CB 2.268 44.322 42.059 -0.007 0.000 1.273 477 L HN 0.344 nan 8.230 nan 0.000 0.405 478 V N 3.139 123.101 119.914 0.080 0.000 2.588 478 V HA 0.671 4.791 4.120 0.001 0.000 0.304 478 V C -0.396 175.806 176.094 0.181 0.000 1.042 478 V CA -0.226 62.149 62.300 0.124 0.000 0.877 478 V CB 2.324 34.209 31.823 0.104 0.000 0.996 478 V HN 0.842 nan 8.190 nan 0.000 0.425 479 T N 2.434 117.103 114.554 0.191 0.000 2.934 479 T HA 0.712 5.062 4.350 0.001 0.000 0.328 479 T C -0.807 173.911 174.700 0.031 0.000 1.068 479 T CA -0.460 61.714 62.100 0.123 0.000 1.018 479 T CB 0.414 69.488 68.868 0.344 0.000 1.009 479 T HN 0.484 nan 8.240 nan 0.000 0.471 480 F N -0.099 119.722 119.950 -0.215 0.000 2.575 480 F HA 0.916 5.444 4.527 0.001 0.000 0.330 480 F C -0.666 174.980 175.800 -0.257 0.000 1.056 480 F CA -1.252 56.609 58.000 -0.231 0.000 0.964 480 F CB 1.359 40.247 39.000 -0.187 0.000 1.258 480 F HN 0.314 nan 8.300 nan 0.000 0.484 481 T N 1.647 116.135 114.554 -0.110 0.000 2.840 481 T HA 0.282 4.632 4.350 0.001 0.000 0.287 481 T C -0.770 173.929 174.700 -0.001 0.000 0.991 481 T CA -0.570 61.454 62.100 -0.127 0.000 0.964 481 T CB 1.435 70.254 68.868 -0.083 0.000 0.954 481 T HN 0.562 nan 8.240 nan 0.000 0.438 482 E N 1.747 121.959 120.200 0.019 0.000 2.280 482 E HA 0.535 4.885 4.350 0.001 0.000 0.264 482 E C -0.626 175.847 176.600 -0.212 0.000 1.064 482 E CA -0.592 55.797 56.400 -0.018 0.000 0.900 482 E CB 1.827 31.568 29.700 0.069 0.000 1.123 482 E HN 0.415 nan 8.360 nan 0.000 0.418 483 V N 1.452 121.177 119.914 -0.316 0.000 2.380 483 V HA 0.294 4.414 4.120 0.001 0.000 0.272 483 V C -0.040 175.880 176.094 -0.289 0.000 1.011 483 V CA -0.907 61.040 62.300 -0.588 0.000 0.826 483 V CB 0.760 32.075 31.823 -0.847 0.000 1.040 483 V HN 0.399 nan 8.190 nan 0.000 0.441 484 V N 0.432 120.267 119.914 -0.132 0.000 2.769 484 V HA 1.082 5.203 4.120 0.001 0.000 0.312 484 V C 0.534 176.754 176.094 0.210 0.000 1.061 484 V CA -0.014 62.331 62.300 0.074 0.000 0.931 484 V CB 1.478 33.318 31.823 0.029 0.000 1.010 484 V HN 1.718 nan 8.190 nan 0.000 0.433 485 G N 2.020 110.970 108.800 0.251 0.000 2.468 485 G HA2 0.291 4.251 3.960 0.001 0.000 0.143 485 G HA3 0.291 4.251 3.960 0.001 0.000 0.143 485 G C 0.197 175.094 174.900 -0.005 0.000 1.065 485 G CA -0.082 45.104 45.100 0.144 0.000 0.776 485 G HN 2.193 nan 8.290 nan 0.000 0.486 486 A N -0.083 122.849 122.820 0.187 0.000 2.524 486 A HA 0.593 4.913 4.320 0.001 0.000 0.271 486 A C 1.476 178.964 177.584 -0.160 0.000 1.097 486 A CA 1.776 53.863 52.037 0.084 0.000 0.791 486 A CB 0.141 19.367 19.000 0.376 0.000 1.028 486 A HN 1.939 nan 8.150 nan 0.000 0.518 487 G N 2.449 110.986 108.800 -0.438 0.000 2.917 487 G HA2 0.308 4.269 3.960 0.001 0.000 0.202 487 G HA3 0.308 4.269 3.960 0.001 0.000 0.202 487 G C -2.374 172.410 174.900 -0.194 0.000 1.302 487 G CA -0.323 44.627 45.100 -0.249 0.000 0.685 487 G HN 0.497 nan 8.290 nan 0.000 0.914 488 P HA -0.083 nan 4.420 nan 0.000 0.231 488 P C 1.277 178.562 177.300 -0.024 0.000 1.048 488 P CA 1.210 64.235 63.100 -0.125 0.000 0.925 488 P CB 0.346 31.985 31.700 -0.102 0.000 0.852 489 S N 4.454 120.157 115.700 0.004 0.000 2.402 489 S HA -0.269 4.202 4.470 0.001 0.000 0.233 489 S C 1.567 176.199 174.600 0.054 0.000 1.030 489 S CA 1.424 59.656 58.200 0.054 0.000 1.003 489 S CB -0.667 62.586 63.200 0.089 0.000 0.813 489 S HN 0.529 nan 8.310 nan 0.000 0.477 490 K N 0.681 121.106 120.400 0.041 0.000 2.148 490 K HA 0.023 4.344 4.320 0.001 0.000 0.204 490 K C 2.303 178.952 176.600 0.083 0.000 1.050 490 K CA 1.440 57.757 56.287 0.049 0.000 0.942 490 K CB -0.324 32.199 32.500 0.038 0.000 0.724 490 K HN 0.554 nan 8.250 nan 0.000 0.446 491 M N 0.556 120.230 119.600 0.122 0.000 2.557 491 M HA 0.116 4.597 4.480 0.001 0.000 0.262 491 M C -0.315 176.162 176.300 0.294 0.000 1.168 491 M CA 0.462 55.902 55.300 0.233 0.000 1.194 491 M CB 0.802 33.580 32.600 0.296 0.000 1.311 491 M HN 0.138 nan 8.290 nan 0.000 0.489 492 C N 2.298 121.714 119.300 0.194 0.000 2.351 492 C HA 0.715 5.175 4.460 0.001 0.000 0.326 492 C C -0.897 174.145 174.990 0.087 0.000 1.272 492 C CA -0.970 58.145 59.018 0.162 0.000 1.650 492 C CB 0.187 27.983 27.740 0.093 0.000 2.257 492 C HN 0.682 nan 8.230 nan 0.000 0.505 493 D N 0.840 121.286 120.400 0.076 0.000 2.717 493 D HA 0.484 5.124 4.640 0.001 0.000 0.223 493 D C -1.378 174.949 176.300 0.045 0.000 1.240 493 D CA -0.572 53.460 54.000 0.054 0.000 0.801 493 D CB 0.727 41.559 40.800 0.054 0.000 1.556 493 D HN 0.224 nan 8.370 nan 0.000 0.462 494 I N 2.881 123.481 120.570 0.049 0.000 2.328 494 I HA 0.253 4.423 4.170 0.001 0.000 0.287 494 I C 0.689 176.838 176.117 0.053 0.000 1.012 494 I CA -0.647 60.686 61.300 0.054 0.000 1.195 494 I CB 0.683 38.733 38.000 0.084 0.000 1.350 494 I HN 0.774 nan 8.210 nan 0.000 0.464 495 L N 6.774 128.020 121.223 0.038 0.000 3.839 495 L HA -0.334 4.007 4.340 0.001 0.000 0.416 495 L C 1.185 178.076 176.870 0.035 0.000 1.195 495 L CA 0.760 55.620 54.840 0.033 0.000 0.946 495 L CB -1.830 40.254 42.059 0.042 0.000 1.891 495 L HN 1.019 nan 8.230 nan 0.000 0.963 496 G N -2.269 106.551 108.800 0.033 0.000 2.234 496 G HA2 -0.254 3.707 3.960 0.001 0.000 0.235 496 G HA3 -0.254 3.707 3.960 0.001 0.000 0.235 496 G C 0.137 175.069 174.900 0.054 0.000 0.997 496 G CA -0.088 45.032 45.100 0.034 0.000 0.623 496 G HN 0.264 nan 8.290 nan 0.000 0.514 497 V N 2.396 122.352 119.914 0.070 0.000 2.408 497 V HA 0.610 4.730 4.120 0.001 0.000 0.267 497 V C 1.461 177.604 176.094 0.081 0.000 1.047 497 V CA -0.144 62.214 62.300 0.097 0.000 0.937 497 V CB 0.907 32.803 31.823 0.121 0.000 0.999 497 V HN 0.836 nan 8.190 nan 0.000 0.472 498 G N 4.610 113.511 108.800 0.168 0.000 2.391 498 G HA2 0.136 4.097 3.960 0.001 0.000 0.234 498 G HA3 0.136 4.097 3.960 0.001 0.000 0.234 498 G C 0.384 175.286 174.900 0.004 0.000 1.284 498 G CA -0.456 44.749 45.100 0.176 0.000 0.873 498 G HN 0.753 nan 8.290 nan 0.000 0.549 499 M N 3.152 122.743 119.600 -0.015 0.000 3.663 499 M HA 0.193 4.674 4.480 0.001 0.000 0.198 499 M C -0.117 176.115 176.300 -0.113 0.000 1.365 499 M CA -0.101 55.129 55.300 -0.117 0.000 1.595 499 M CB -0.782 31.800 32.600 -0.031 0.000 1.120 499 M HN 0.544 nan 8.290 nan 0.000 0.522 500 F N -2.228 117.744 119.950 0.037 0.000 2.321 500 F HA 0.763 5.291 4.527 0.001 0.000 0.318 500 F C 0.060 175.883 175.800 0.039 0.000 1.129 500 F CA -0.932 57.085 58.000 0.027 0.000 1.074 500 F CB 0.496 39.528 39.000 0.055 0.000 1.432 500 F HN 0.020 nan 8.300 nan 0.000 0.502 501 D N -1.553 119.055 120.400 0.347 0.000 2.643 501 D HA 0.490 5.130 4.640 0.001 0.000 0.283 501 D C -1.714 174.633 176.300 0.078 0.000 1.242 501 D CA -0.284 53.800 54.000 0.140 0.000 0.863 501 D CB 2.578 43.372 40.800 -0.010 0.000 1.382 501 D HN 0.813 nan 8.370 nan 0.000 0.444 502 S N -0.845 114.755 115.700 -0.166 0.000 2.685 502 S HA 0.728 5.198 4.470 0.001 0.000 0.282 502 S C -1.177 173.269 174.600 -0.256 0.000 1.159 502 S CA -0.721 57.247 58.200 -0.387 0.000 0.833 502 S CB 1.937 64.465 63.200 -1.120 0.000 1.151 502 S HN 0.669 nan 8.310 nan 0.000 0.485 503 C N 0.580 119.755 119.300 -0.208 0.000 3.006 503 C HA 0.783 5.244 4.460 0.001 0.000 0.359 503 C C -1.674 173.284 174.990 -0.054 0.000 1.103 503 C CA -0.076 58.864 59.018 -0.130 0.000 1.286 503 C CB 0.734 28.379 27.740 -0.159 0.000 1.694 503 C HN 1.163 nan 8.230 nan 0.000 0.511 504 E N 4.734 124.920 120.200 -0.023 0.000 2.241 504 E HA 0.723 5.073 4.350 0.001 0.000 0.263 504 E C -1.400 175.206 176.600 0.010 0.000 0.882 504 E CA -0.461 55.951 56.400 0.019 0.000 0.769 504 E CB 1.145 30.876 29.700 0.051 0.000 1.185 504 E HN 0.718 nan 8.360 nan 0.000 0.415 505 I N 4.053 124.627 120.570 0.006 0.000 2.433 505 I HA 0.468 4.639 4.170 0.001 0.000 0.292 505 I C -0.236 175.879 176.117 -0.005 0.000 1.001 505 I CA -0.850 60.446 61.300 -0.007 0.000 1.119 505 I CB 1.862 39.851 38.000 -0.019 0.000 1.289 505 I HN 0.401 nan 8.210 nan 0.000 0.438 506 R N 6.673 127.155 120.500 -0.030 0.000 2.409 506 R HA 0.533 4.873 4.340 0.001 0.000 0.313 506 R C -1.260 174.956 176.300 -0.139 0.000 0.953 506 R CA -0.675 55.407 56.100 -0.029 0.000 0.849 506 R CB 1.079 31.393 30.300 0.024 0.000 1.171 506 R HN 0.475 nan 8.270 nan 0.000 0.458 507 I N 5.063 125.616 120.570 -0.029 0.000 2.371 507 I HA 0.229 4.399 4.170 0.001 0.000 0.290 507 I C 0.569 176.764 176.117 0.130 0.000 1.028 507 I CA -0.512 60.782 61.300 -0.010 0.000 1.345 507 I CB 0.694 38.749 38.000 0.092 0.000 1.407 507 I HN 0.584 nan 8.210 nan 0.000 0.501 508 H N 7.404 126.560 119.070 0.143 0.000 2.546 508 H HA 0.226 4.782 4.556 0.001 0.000 0.365 508 H C -1.466 173.847 175.328 -0.025 0.000 1.220 508 H CA -2.132 53.928 56.048 0.020 0.000 1.386 508 H CB 0.308 30.063 29.762 -0.012 0.000 1.510 508 H HN 0.265 nan 8.280 nan 0.000 0.591 509 P HA -0.148 nan 4.420 nan 0.000 0.217 509 P C 1.159 178.606 177.300 0.245 0.000 1.148 509 P CA 2.311 65.335 63.100 -0.126 0.000 0.828 509 P CB 0.099 31.639 31.700 -0.266 0.000 0.783 510 T N -6.209 108.451 114.554 0.176 0.000 3.129 510 T HA 0.382 4.732 4.350 0.001 0.000 0.251 510 T C 1.494 176.288 174.700 0.157 0.000 1.117 510 T CA 0.546 62.744 62.100 0.163 0.000 1.034 510 T CB -0.293 68.630 68.868 0.091 0.000 0.968 510 T HN 0.244 nan 8.240 nan 0.000 0.526 511 G N 1.410 110.318 108.800 0.180 0.000 2.259 511 G HA2 -0.243 3.718 3.960 0.001 0.000 0.217 511 G HA3 -0.243 3.718 3.960 0.001 0.000 0.217 511 G C 0.457 175.429 174.900 0.120 0.000 1.001 511 G CA 0.009 45.201 45.100 0.153 0.000 0.627 511 G HN 1.067 nan 8.290 nan 0.000 0.501 512 S N 0.245 116.022 115.700 0.128 0.000 2.641 512 S HA 0.856 5.327 4.470 0.001 0.000 0.261 512 S C 0.275 174.878 174.600 0.005 0.000 1.257 512 S CA 0.709 58.969 58.200 0.101 0.000 0.983 512 S CB 2.017 65.304 63.200 0.144 0.000 0.990 512 S HN 2.126 nan 8.310 nan 0.000 0.572 513 A N -0.188 122.602 122.820 -0.051 0.000 2.606 513 A HA 0.732 5.052 4.320 0.001 0.000 0.293 513 A C -1.256 176.246 177.584 -0.136 0.000 1.082 513 A CA -0.800 51.101 52.037 -0.227 0.000 0.685 513 A CB 1.061 19.992 19.000 -0.115 0.000 1.284 513 A HN 0.996 nan 8.150 nan 0.000 0.408 514 I N 0.822 121.283 120.570 -0.181 0.000 2.433 514 I HA 0.758 4.928 4.170 0.001 0.000 0.292 514 I C -0.179 175.934 176.117 -0.006 0.000 1.001 514 I CA -0.626 60.662 61.300 -0.019 0.000 1.119 514 I CB 1.560 39.602 38.000 0.071 0.000 1.289 514 I HN 0.961 nan 8.210 nan 0.000 0.438 515 A N 7.896 130.733 122.820 0.029 0.000 2.393 515 A HA 0.825 5.145 4.320 0.001 0.000 0.306 515 A C -0.969 176.653 177.584 0.063 0.000 1.050 515 A CA -0.691 51.366 52.037 0.033 0.000 0.724 515 A CB 1.387 20.404 19.000 0.028 0.000 1.248 515 A HN 0.781 nan 8.150 nan 0.000 0.424 516 R N 1.106 121.638 120.500 0.053 0.000 2.686 516 R HA 0.694 5.035 4.340 0.001 0.000 0.283 516 R C -1.432 174.893 176.300 0.042 0.000 0.978 516 R CA -0.712 55.432 56.100 0.073 0.000 0.897 516 R CB 2.136 32.483 30.300 0.078 0.000 1.192 516 R HN 0.726 nan 8.270 nan 0.000 0.457 517 M N -0.395 119.247 119.600 0.071 0.000 2.727 517 M HA 0.376 4.857 4.480 0.001 0.000 0.300 517 M C 1.138 177.448 176.300 0.017 0.000 1.246 517 M CA -0.462 54.842 55.300 0.007 0.000 0.835 517 M CB 1.527 34.131 32.600 0.006 0.000 1.755 517 M HN 0.724 nan 8.290 nan 0.000 0.473 518 G N -0.441 108.316 108.800 -0.072 0.000 3.088 518 G HA2 0.180 4.140 3.960 0.001 0.000 0.212 518 G HA3 0.180 4.140 3.960 0.001 0.000 0.212 518 G C 0.248 175.132 174.900 -0.026 0.000 1.173 518 G CA 0.257 45.276 45.100 -0.134 0.000 0.779 518 G HN 0.730 nan 8.290 nan 0.000 0.540 519 T N -1.873 112.721 114.554 0.066 0.000 2.884 519 T HA 0.648 4.998 4.350 0.001 0.000 0.277 519 T C -0.629 174.166 174.700 0.159 0.000 0.976 519 T CA -0.823 61.350 62.100 0.122 0.000 0.956 519 T CB 2.437 71.445 68.868 0.235 0.000 1.113 519 T HN 0.185 nan 8.240 nan 0.000 0.554 520 I N 0.470 121.115 120.570 0.125 0.000 2.590 520 I HA 0.357 4.527 4.170 0.001 0.000 0.283 520 I C -0.150 175.892 176.117 -0.125 0.000 1.154 520 I CA -0.119 61.200 61.300 0.033 0.000 1.067 520 I CB 1.595 39.607 38.000 0.020 0.000 1.243 520 I HN 0.928 nan 8.210 nan 0.000 0.451 521 T N 4.578 118.938 114.554 -0.323 0.000 2.900 521 T HA 0.307 4.658 4.350 0.001 0.000 0.307 521 T C 0.427 174.937 174.700 -0.317 0.000 1.065 521 T CA 0.387 62.103 62.100 -0.640 0.000 1.105 521 T CB 0.644 69.037 68.868 -0.792 0.000 0.979 521 T HN 0.722 nan 8.240 nan 0.000 0.544 522 Q N 1.556 121.164 119.800 -0.319 0.000 2.110 522 Q HA 0.414 4.754 4.340 0.001 0.000 0.232 522 Q C 0.923 176.779 176.000 -0.239 0.000 0.810 522 Q CA 0.229 55.889 55.803 -0.239 0.000 1.083 522 Q CB 1.147 29.709 28.738 -0.294 0.000 1.193 522 Q HN 0.980 nan 8.270 nan 0.000 0.471 523 G N 0.560 109.230 108.800 -0.218 0.000 2.227 523 G HA2 -0.226 3.735 3.960 0.001 0.000 0.168 523 G HA3 -0.226 3.735 3.960 0.001 0.000 0.168 523 G C 0.792 175.615 174.900 -0.128 0.000 1.006 523 G CA 0.030 45.036 45.100 -0.157 0.000 0.684 523 G HN 0.262 nan 8.290 nan 0.000 0.489 524 Q N 1.058 120.746 119.800 -0.187 0.000 2.466 524 Q HA 0.331 4.671 4.340 0.001 0.000 0.210 524 Q C 1.545 177.522 176.000 -0.039 0.000 0.961 524 Q CA 1.033 56.776 55.803 -0.100 0.000 0.953 524 Q CB 0.003 28.697 28.738 -0.073 0.000 1.011 524 Q HN 1.739 nan 8.270 nan 0.000 0.516 525 G N 1.121 109.881 108.800 -0.066 0.000 2.137 525 G HA2 -0.308 3.652 3.960 0.001 0.000 0.237 525 G HA3 -0.308 3.652 3.960 0.001 0.000 0.237 525 G C 0.396 175.281 174.900 -0.025 0.000 1.002 525 G CA 0.412 45.499 45.100 -0.022 0.000 0.702 525 G HN 0.646 nan 8.290 nan 0.000 0.515 526 H N -0.413 118.470 119.070 -0.313 0.000 2.353 526 H HA -0.124 4.432 4.556 0.001 0.000 0.298 526 H C 2.677 177.722 175.328 -0.471 0.000 1.103 526 H CA 1.593 57.236 56.048 -0.676 0.000 1.293 526 H CB 0.147 29.340 29.762 -0.948 0.000 1.372 526 H HN 0.577 nan 8.280 nan 0.000 0.501 527 Q N -0.229 119.509 119.800 -0.103 0.000 2.364 527 Q HA -0.098 4.242 4.340 0.001 0.000 0.209 527 Q C 1.654 177.651 176.000 -0.005 0.000 0.977 527 Q CA 1.486 57.269 55.803 -0.034 0.000 0.885 527 Q CB 0.247 28.970 28.738 -0.025 0.000 0.941 527 Q HN 0.424 nan 8.270 nan 0.000 0.464 528 T N -0.740 113.805 114.554 -0.015 0.000 3.053 528 T HA -0.075 4.275 4.350 0.001 0.000 0.236 528 T C 2.073 176.787 174.700 0.023 0.000 0.996 528 T CA 1.267 63.372 62.100 0.008 0.000 1.185 528 T CB -0.327 68.545 68.868 0.006 0.000 0.892 528 T HN 0.481 nan 8.240 nan 0.000 0.432 529 T N 1.055 115.614 114.554 0.008 0.000 2.684 529 T HA -0.189 4.161 4.350 0.001 0.000 0.267 529 T C 1.759 176.546 174.700 0.145 0.000 1.036 529 T CA 1.179 63.305 62.100 0.044 0.000 1.148 529 T CB -0.909 67.972 68.868 0.022 0.000 0.863 529 T HN 0.208 nan 8.240 nan 0.000 0.436 530 Y N 2.406 122.682 120.300 -0.039 0.000 2.165 530 Y HA 0.098 4.648 4.550 0.001 0.000 0.286 530 Y C 3.153 179.033 175.900 -0.033 0.000 1.155 530 Y CA 0.103 58.170 58.100 -0.055 0.000 1.164 530 Y CB -1.503 36.927 38.460 -0.049 0.000 0.978 530 Y HN 0.388 nan 8.280 nan 0.000 0.513 531 A N -0.179 122.737 122.820 0.161 0.000 1.933 531 A HA -0.227 4.094 4.320 0.001 0.000 0.218 531 A C 2.186 179.804 177.584 0.056 0.000 1.175 531 A CA 1.629 53.718 52.037 0.086 0.000 0.628 531 A CB -0.654 18.385 19.000 0.064 0.000 0.814 531 A HN 0.551 nan 8.150 nan 0.000 0.444 532 Q N -0.573 119.259 119.800 0.053 0.000 2.119 532 Q HA -0.061 4.279 4.340 0.001 0.000 0.201 532 Q C 1.989 178.000 176.000 0.019 0.000 0.972 532 Q CA 1.358 57.180 55.803 0.031 0.000 0.847 532 Q CB -0.291 28.461 28.738 0.023 0.000 0.903 532 Q HN 0.749 nan 8.270 nan 0.000 0.433 533 I N 0.538 121.119 120.570 0.018 0.000 2.179 533 I HA -0.281 3.890 4.170 0.001 0.000 0.242 533 I C 2.144 178.245 176.117 -0.026 0.000 1.088 533 I CA 1.192 62.483 61.300 -0.016 0.000 1.357 533 I CB -0.240 37.734 38.000 -0.043 0.000 1.051 533 I HN 0.195 nan 8.210 nan 0.000 0.409 534 I N 0.741 121.301 120.570 -0.016 0.000 2.394 534 I HA -0.237 3.933 4.170 0.001 0.000 0.251 534 I C 2.816 178.940 176.117 0.011 0.000 1.136 534 I CA 1.050 62.340 61.300 -0.016 0.000 1.425 534 I CB -0.525 37.471 38.000 -0.008 0.000 1.079 534 I HN 0.174 nan 8.210 nan 0.000 0.425 535 A N 0.776 123.612 122.820 0.027 0.000 1.883 535 A HA -0.215 4.105 4.320 0.001 0.000 0.217 535 A C 2.402 180.024 177.584 0.064 0.000 1.186 535 A CA 2.583 54.648 52.037 0.047 0.000 0.624 535 A CB -1.120 17.904 19.000 0.040 0.000 0.822 535 A HN 0.369 nan 8.150 nan 0.000 0.444 536 T N -0.097 114.482 114.554 0.042 0.000 2.821 536 T HA -0.080 4.271 4.350 0.001 0.000 0.267 536 T C 1.743 176.475 174.700 0.052 0.000 1.046 536 T CA 1.381 63.513 62.100 0.054 0.000 1.139 536 T CB -0.183 68.698 68.868 0.020 0.000 0.871 536 T HN 0.474 nan 8.240 nan 0.000 0.454 537 E N 0.915 121.104 120.200 -0.018 0.000 2.152 537 E HA 0.075 4.426 4.350 0.001 0.000 0.192 537 E C 1.774 178.308 176.600 -0.110 0.000 0.983 537 E CA 0.769 57.096 56.400 -0.121 0.000 0.818 537 E CB -0.009 29.608 29.700 -0.138 0.000 0.758 537 E HN 0.468 nan 8.360 nan 0.000 0.467 538 L N -1.119 120.130 121.223 0.043 0.000 2.858 538 L HA 0.288 4.629 4.340 0.001 0.000 0.251 538 L C 1.043 178.108 176.870 0.325 0.000 1.149 538 L CA 0.215 55.127 54.840 0.120 0.000 0.955 538 L CB 0.601 42.707 42.059 0.079 0.000 1.289 538 L HN 0.123 nan 8.230 nan 0.000 0.542 539 G N 1.719 110.737 108.800 0.363 0.000 2.176 539 G HA2 -0.279 3.682 3.960 0.001 0.000 0.252 539 G HA3 -0.279 3.682 3.960 0.001 0.000 0.252 539 G C 0.020 175.029 174.900 0.181 0.000 1.024 539 G CA 0.119 45.411 45.100 0.321 0.000 0.755 539 G HN 0.315 nan 8.290 nan 0.000 0.507 540 I N 1.776 122.430 120.570 0.140 0.000 2.378 540 I HA 0.320 4.490 4.170 0.001 0.000 0.291 540 I C -1.812 174.347 176.117 0.071 0.000 0.992 540 I CA -2.690 58.669 61.300 0.099 0.000 1.154 540 I CB 2.103 40.156 38.000 0.089 0.000 1.315 540 I HN -0.126 nan 8.210 nan 0.000 0.448 541 P HA -0.020 nan 4.420 nan 0.000 0.266 541 P C 0.665 177.989 177.300 0.040 0.000 1.195 541 P CA 0.043 63.168 63.100 0.042 0.000 0.768 541 P CB 0.731 32.452 31.700 0.034 0.000 0.838 542 S N 1.460 117.181 115.700 0.034 0.000 2.419 542 S HA -0.208 4.262 4.470 0.001 0.000 0.233 542 S C 1.723 176.342 174.600 0.031 0.000 1.016 542 S CA 1.149 59.369 58.200 0.034 0.000 0.974 542 S CB -0.708 62.510 63.200 0.030 0.000 0.786 542 S HN 0.454 nan 8.310 nan 0.000 0.492 543 E N 1.848 122.064 120.200 0.027 0.000 2.110 543 E HA -0.108 4.242 4.350 0.001 0.000 0.193 543 E C 1.701 178.318 176.600 0.028 0.000 0.988 543 E CA 1.455 57.869 56.400 0.024 0.000 0.804 543 E CB -0.319 29.393 29.700 0.020 0.000 0.745 543 E HN 0.646 nan 8.360 nan 0.000 0.458 544 V N -1.158 118.777 119.914 0.035 0.000 3.514 544 V HA 0.349 4.470 4.120 0.001 0.000 0.301 544 V C 0.631 176.753 176.094 0.046 0.000 1.346 544 V CA -0.148 62.178 62.300 0.044 0.000 1.156 544 V CB -0.448 31.406 31.823 0.051 0.000 1.029 544 V HN 0.047 nan 8.190 nan 0.000 0.428 545 I N 2.430 123.024 120.570 0.040 0.000 2.310 545 I HA 0.354 4.524 4.170 0.001 0.000 0.287 545 I C -0.209 175.933 176.117 0.041 0.000 1.073 545 I CA -0.196 61.125 61.300 0.035 0.000 1.216 545 I CB 1.037 39.058 38.000 0.036 0.000 1.415 545 I HN 0.194 nan 8.210 nan 0.000 0.480 546 Q N 5.813 125.639 119.800 0.044 0.000 2.323 546 Q HA 0.206 4.547 4.340 0.001 0.000 0.257 546 Q C -0.132 175.901 176.000 0.055 0.000 1.022 546 Q CA -0.140 55.691 55.803 0.047 0.000 0.919 546 Q CB 1.821 30.591 28.738 0.054 0.000 1.220 546 Q HN 0.570 nan 8.270 nan 0.000 0.427 547 V N 0.805 120.757 119.914 0.063 0.000 2.617 547 V HA 0.665 4.785 4.120 0.001 0.000 0.298 547 V C -0.415 175.724 176.094 0.075 0.000 1.048 547 V CA -0.473 61.883 62.300 0.092 0.000 0.964 547 V CB 1.932 33.850 31.823 0.158 0.000 1.004 547 V HN 0.832 nan 8.190 nan 0.000 0.466 548 E N 2.557 122.811 120.200 0.091 0.000 2.356 548 E HA 0.665 5.015 4.350 0.001 0.000 0.275 548 E C -1.224 175.435 176.600 0.098 0.000 0.904 548 E CA -0.652 55.791 56.400 0.071 0.000 0.757 548 E CB 2.553 32.288 29.700 0.058 0.000 1.232 548 E HN 0.939 nan 8.360 nan 0.000 0.442 549 E N 0.588 120.836 120.200 0.080 0.000 2.449 549 E HA 0.520 4.870 4.350 0.001 0.000 0.278 549 E C -0.164 176.473 176.600 0.062 0.000 0.992 549 E CA -0.560 55.900 56.400 0.099 0.000 0.807 549 E CB 1.860 31.631 29.700 0.118 0.000 1.350 549 E HN 0.723 nan 8.360 nan 0.000 0.462 550 G N 0.987 109.827 108.800 0.067 0.000 2.199 550 G HA2 -0.227 3.734 3.960 0.001 0.000 0.254 550 G HA3 -0.227 3.734 3.960 0.001 0.000 0.254 550 G C -0.259 174.609 174.900 -0.054 0.000 0.982 550 G CA 0.416 45.519 45.100 0.005 0.000 0.632 550 G HN 0.490 nan 8.290 nan 0.000 0.529 551 D N 0.986 121.368 120.400 -0.029 0.000 2.427 551 D HA 0.503 5.143 4.640 0.001 0.000 0.226 551 D C 1.901 178.132 176.300 -0.115 0.000 1.076 551 D CA 0.408 54.369 54.000 -0.065 0.000 0.849 551 D CB 0.822 41.621 40.800 -0.002 0.000 1.052 551 D HN 0.222 nan 8.370 nan 0.000 0.515 552 T N 0.073 114.456 114.554 -0.284 0.000 3.025 552 T HA -0.105 4.246 4.350 0.001 0.000 0.270 552 T C 1.386 176.065 174.700 -0.034 0.000 1.126 552 T CA 0.778 62.664 62.100 -0.355 0.000 1.105 552 T CB 0.031 68.643 68.868 -0.427 0.000 0.884 552 T HN 0.123 nan 8.240 nan 0.000 0.522 553 S N 0.717 116.407 115.700 -0.017 0.000 2.575 553 S HA 0.149 4.619 4.470 0.001 0.000 0.215 553 S C 1.803 176.443 174.600 0.065 0.000 0.966 553 S CA 0.571 58.791 58.200 0.033 0.000 0.911 553 S CB 0.073 63.278 63.200 0.008 0.000 0.780 553 S HN 0.933 nan 8.310 nan 0.000 0.514 554 T N -2.096 112.508 114.554 0.084 0.000 3.168 554 T HA 0.479 4.830 4.350 0.001 0.000 0.261 554 T C 0.598 175.376 174.700 0.129 0.000 0.931 554 T CA 0.284 62.441 62.100 0.096 0.000 0.949 554 T CB -0.106 68.805 68.868 0.072 0.000 1.229 554 T HN 0.167 nan 8.240 nan 0.000 0.504 555 A N 3.998 126.919 122.820 0.168 0.000 2.340 555 A HA 0.701 5.021 4.320 0.001 0.000 0.268 555 A C -2.352 175.365 177.584 0.222 0.000 1.100 555 A CA -1.647 50.505 52.037 0.191 0.000 0.803 555 A CB 0.021 19.162 19.000 0.234 0.000 1.043 555 A HN 0.384 nan 8.150 nan 0.000 0.488 556 P HA 0.004 nan 4.420 nan 0.000 0.272 556 P C -0.818 176.409 177.300 -0.121 0.000 1.230 556 P CA 0.062 63.220 63.100 0.097 0.000 0.788 556 P CB 0.315 32.012 31.700 -0.005 0.000 0.949 557 Y N 0.895 121.160 120.300 -0.059 0.000 2.526 557 Y HA 0.381 4.932 4.550 0.001 0.000 0.330 557 Y C 0.961 176.740 175.900 -0.203 0.000 1.156 557 Y CA 1.522 59.458 58.100 -0.273 0.000 1.419 557 Y CB -0.017 38.578 38.460 0.225 0.000 1.250 557 Y HN 0.571 nan 8.280 nan 0.000 0.540 558 G N 4.239 112.727 108.800 -0.520 0.000 2.725 558 G HA2 0.352 4.313 3.960 0.001 0.000 0.288 558 G HA3 0.352 4.313 3.960 0.001 0.000 0.288 558 G C -0.858 173.879 174.900 -0.270 0.000 1.399 558 G CA -0.801 44.149 45.100 -0.250 0.000 0.859 558 G HN 0.520 nan 8.290 nan 0.000 0.479 559 L N 0.802 121.895 121.223 -0.218 0.000 2.607 559 L HA 0.305 4.645 4.340 0.001 0.000 0.228 559 L C 1.543 178.406 176.870 -0.011 0.000 1.123 559 L CA 1.366 56.141 54.840 -0.108 0.000 0.890 559 L CB -1.210 40.770 42.059 -0.131 0.000 1.103 559 L HN 1.207 nan 8.230 nan 0.000 0.468 560 G N 0.262 109.025 108.800 -0.062 0.000 2.728 560 G HA2 -0.209 3.752 3.960 0.001 0.000 0.294 560 G HA3 -0.209 3.752 3.960 0.001 0.000 0.294 560 G C -0.295 174.470 174.900 -0.224 0.000 1.342 560 G CA -0.579 44.507 45.100 -0.023 0.000 0.866 560 G HN 0.061 nan 8.290 nan 0.000 0.534 561 T N 1.457 115.939 114.554 -0.120 0.000 2.770 561 T HA 0.758 5.108 4.350 0.001 0.000 0.283 561 T C -0.654 173.985 174.700 -0.102 0.000 0.988 561 T CA 0.693 62.698 62.100 -0.158 0.000 0.957 561 T CB 0.800 69.676 68.868 0.014 0.000 0.930 561 T HN 1.648 nan 8.240 nan 0.000 0.443 562 Y N -1.352 118.947 120.300 -0.002 0.000 2.841 562 Y HA 0.480 5.030 4.550 0.001 0.000 0.373 562 Y C 0.515 176.360 175.900 -0.091 0.000 1.170 562 Y CA -1.038 57.019 58.100 -0.072 0.000 1.196 562 Y CB 0.120 38.523 38.460 -0.096 0.000 1.433 562 Y HN 0.744 nan 8.280 nan 0.000 0.479 563 G N 0.854 109.654 108.800 -0.000 0.000 2.233 563 G HA2 -0.171 3.789 3.960 0.001 0.000 0.270 563 G HA3 -0.171 3.789 3.960 0.001 0.000 0.270 563 G C 0.429 175.318 174.900 -0.017 0.000 1.011 563 G CA 0.949 45.986 45.100 -0.105 0.000 0.762 563 G HN 1.828 nan 8.290 nan 0.000 0.511 564 S N -1.995 113.696 115.700 -0.015 0.000 3.614 564 S HA -0.290 4.181 4.470 0.001 0.000 0.360 564 S C 1.845 176.456 174.600 0.017 0.000 1.023 564 S CA 1.832 60.037 58.200 0.008 0.000 1.114 564 S CB -0.781 62.427 63.200 0.013 0.000 0.907 564 S HN 1.366 nan 8.310 nan 0.000 0.470 565 R N -0.441 120.048 120.500 -0.018 0.000 2.254 565 R HA 0.212 4.552 4.340 0.001 0.000 0.195 565 R C 1.877 178.171 176.300 -0.010 0.000 0.957 565 R CA 0.894 56.986 56.100 -0.012 0.000 1.024 565 R CB -0.298 29.955 30.300 -0.078 0.000 0.952 565 R HN 0.283 nan 8.270 nan 0.000 0.484 566 S N 1.331 117.029 115.700 -0.003 0.000 2.351 566 S HA -0.155 4.315 4.470 0.001 0.000 0.220 566 S C 1.754 176.358 174.600 0.008 0.000 1.035 566 S CA 2.090 60.299 58.200 0.015 0.000 1.031 566 S CB -0.471 62.754 63.200 0.042 0.000 0.928 566 S HN 0.440 nan 8.310 nan 0.000 0.433 567 T N 2.903 117.468 114.554 0.018 0.000 2.708 567 T HA -0.045 4.306 4.350 0.001 0.000 0.266 567 T C -0.652 174.107 174.700 0.098 0.000 1.037 567 T CA 1.439 63.550 62.100 0.018 0.000 1.146 567 T CB -1.434 67.419 68.868 -0.024 0.000 0.865 567 T HN 0.322 nan 8.240 nan 0.000 0.435 568 P HA -0.029 nan 4.420 nan 0.000 0.213 568 P C 1.652 179.095 177.300 0.238 0.000 1.170 568 P CA 0.777 64.028 63.100 0.252 0.000 0.898 568 P CB -0.140 31.663 31.700 0.170 0.000 0.787 569 V N -0.277 119.712 119.914 0.126 0.000 2.326 569 V HA -0.041 4.080 4.120 0.001 0.000 0.238 569 V C 2.459 178.563 176.094 0.018 0.000 1.038 569 V CA 1.934 64.312 62.300 0.130 0.000 1.032 569 V CB -1.874 30.010 31.823 0.102 0.000 0.675 569 V HN 0.026 nan 8.190 nan 0.000 0.467 570 A N 0.958 123.748 122.820 -0.050 0.000 1.933 570 A HA -0.064 4.257 4.320 0.001 0.000 0.218 570 A C 2.354 179.761 177.584 -0.295 0.000 1.175 570 A CA 1.910 53.843 52.037 -0.173 0.000 0.628 570 A CB -1.329 17.554 19.000 -0.195 0.000 0.814 570 A HN 0.562 nan 8.150 nan 0.000 0.444 571 G N -0.585 108.090 108.800 -0.208 0.000 2.450 571 G HA2 -0.018 3.942 3.960 0.001 0.000 0.220 571 G HA3 -0.018 3.942 3.960 0.001 0.000 0.220 571 G C 1.615 176.387 174.900 -0.213 0.000 1.130 571 G CA 1.444 46.439 45.100 -0.176 0.000 0.760 571 G HN 0.786 nan 8.290 nan 0.000 0.557 572 A N 0.940 123.532 122.820 -0.380 0.000 1.898 572 A HA 0.468 4.789 4.320 0.001 0.000 0.214 572 A C 2.794 179.962 177.584 -0.693 0.000 1.183 572 A CA 1.770 53.327 52.037 -0.800 0.000 0.622 572 A CB -0.684 17.460 19.000 -1.426 0.000 0.824 572 A HN 0.694 nan 8.150 nan 0.000 0.444 573 A N 0.202 122.750 122.820 -0.453 0.000 1.933 573 A HA -0.096 4.224 4.320 0.001 0.000 0.218 573 A C 2.080 179.514 177.584 -0.250 0.000 1.175 573 A CA 1.554 53.460 52.037 -0.219 0.000 0.628 573 A CB -0.642 18.326 19.000 -0.053 0.000 0.814 573 A HN 0.503 nan 8.150 nan 0.000 0.444 574 I N -0.334 120.059 120.570 -0.296 0.000 2.179 574 I HA -0.270 3.900 4.170 0.001 0.000 0.242 574 I C 2.985 178.962 176.117 -0.234 0.000 1.088 574 I CA 1.105 62.244 61.300 -0.269 0.000 1.357 574 I CB -0.404 37.385 38.000 -0.353 0.000 1.051 574 I HN 0.348 nan 8.210 nan 0.000 0.409 575 A N 1.046 123.707 122.820 -0.265 0.000 1.877 575 A HA -0.140 4.181 4.320 0.001 0.000 0.216 575 A C 2.320 179.744 177.584 -0.268 0.000 1.186 575 A CA 1.386 53.281 52.037 -0.237 0.000 0.620 575 A CB -0.890 17.972 19.000 -0.230 0.000 0.822 575 A HN 0.365 nan 8.150 nan 0.000 0.443 576 L N -0.837 120.156 121.223 -0.384 0.000 2.046 576 L HA -0.202 4.138 4.340 0.001 0.000 0.208 576 L C 3.105 179.790 176.870 -0.309 0.000 1.077 576 L CA 1.111 55.676 54.840 -0.459 0.000 0.747 576 L CB -0.623 40.886 42.059 -0.917 0.000 0.896 576 L HN 0.459 nan 8.230 nan 0.000 0.432 577 A N 0.052 122.742 122.820 -0.217 0.000 1.902 577 A HA -0.138 4.182 4.320 0.001 0.000 0.217 577 A C 2.542 180.090 177.584 -0.060 0.000 1.181 577 A CA 1.632 53.639 52.037 -0.050 0.000 0.623 577 A CB -0.620 18.376 19.000 -0.007 0.000 0.818 577 A HN 0.399 nan 8.150 nan 0.000 0.443 578 A N -0.113 122.649 122.820 -0.098 0.000 1.902 578 A HA -0.168 4.153 4.320 0.001 0.000 0.217 578 A C 2.228 179.772 177.584 -0.067 0.000 1.181 578 A CA 1.563 53.553 52.037 -0.077 0.000 0.623 578 A CB -0.448 18.491 19.000 -0.101 0.000 0.818 578 A HN 0.547 nan 8.150 nan 0.000 0.443 579 R N -0.347 120.089 120.500 -0.107 0.000 2.115 579 R HA -0.060 4.280 4.340 0.001 0.000 0.230 579 R C 2.105 178.395 176.300 -0.016 0.000 1.111 579 R CA 1.385 57.433 56.100 -0.086 0.000 0.976 579 R CB -0.198 30.019 30.300 -0.138 0.000 0.870 579 R HN 0.505 nan 8.270 nan 0.000 0.445 580 K N 0.487 120.875 120.400 -0.020 0.000 2.097 580 K HA -0.098 4.223 4.320 0.001 0.000 0.206 580 K C 2.003 178.610 176.600 0.012 0.000 1.049 580 K CA 1.205 57.498 56.287 0.009 0.000 0.933 580 K CB -0.073 32.447 32.500 0.032 0.000 0.717 580 K HN 0.159 nan 8.250 nan 0.000 0.442 581 I N 0.297 120.874 120.570 0.011 0.000 2.252 581 I HA -0.288 3.882 4.170 0.001 0.000 0.245 581 I C 2.612 178.744 176.117 0.024 0.000 1.102 581 I CA 1.105 62.412 61.300 0.012 0.000 1.385 581 I CB -0.356 37.651 38.000 0.012 0.000 1.064 581 I HN 0.324 nan 8.210 nan 0.000 0.414 582 H N 1.211 120.234 119.070 -0.078 0.000 2.387 582 H HA -0.174 4.383 4.556 0.001 0.000 0.299 582 H C 2.215 177.531 175.328 -0.019 0.000 1.099 582 H CA 1.763 57.751 56.048 -0.100 0.000 1.315 582 H CB 0.289 29.916 29.762 -0.227 0.000 1.380 582 H HN 0.357 nan 8.280 nan 0.000 0.513 583 A N 1.093 123.947 122.820 0.056 0.000 1.877 583 A HA -0.177 4.143 4.320 0.001 0.000 0.216 583 A C 2.462 180.005 177.584 -0.069 0.000 1.186 583 A CA 1.742 53.779 52.037 -0.000 0.000 0.620 583 A CB -0.490 18.516 19.000 0.010 0.000 0.822 583 A HN 0.414 nan 8.150 nan 0.000 0.443 584 K N -0.403 119.965 120.400 -0.053 0.000 2.148 584 K HA -0.021 4.299 4.320 0.001 0.000 0.204 584 K C 2.096 178.643 176.600 -0.088 0.000 1.050 584 K CA 1.041 57.286 56.287 -0.069 0.000 0.942 584 K CB -0.293 32.175 32.500 -0.054 0.000 0.724 584 K HN 0.367 nan 8.250 nan 0.000 0.446 585 A N 1.460 124.238 122.820 -0.070 0.000 1.933 585 A HA -0.182 4.138 4.320 0.001 0.000 0.218 585 A C 2.125 179.599 177.584 -0.184 0.000 1.175 585 A CA 1.463 53.490 52.037 -0.016 0.000 0.628 585 A CB -0.513 18.539 19.000 0.087 0.000 0.814 585 A HN 0.350 nan 8.150 nan 0.000 0.444 586 R N -0.394 119.828 120.500 -0.463 0.000 2.066 586 R HA -0.120 4.220 4.340 0.001 0.000 0.232 586 R C 2.219 178.233 176.300 -0.478 0.000 1.131 586 R CA 1.813 57.329 56.100 -0.974 0.000 0.955 586 R CB -0.247 29.615 30.300 -0.729 0.000 0.851 586 R HN 0.491 nan 8.270 nan 0.000 0.432 587 K N 0.201 120.445 120.400 -0.259 0.000 2.097 587 K HA -0.096 4.224 4.320 0.001 0.000 0.206 587 K C 1.972 178.511 176.600 -0.101 0.000 1.049 587 K CA 1.474 57.672 56.287 -0.147 0.000 0.933 587 K CB -0.004 32.433 32.500 -0.105 0.000 0.717 587 K HN 0.216 nan 8.250 nan 0.000 0.442 588 I N 0.003 120.511 120.570 -0.102 0.000 2.333 588 I HA -0.175 3.995 4.170 0.001 0.000 0.246 588 I C 2.288 178.409 176.117 0.007 0.000 1.106 588 I CA 0.823 62.100 61.300 -0.038 0.000 1.411 588 I CB -0.240 37.741 38.000 -0.031 0.000 1.082 588 I HN 0.169 nan 8.210 nan 0.000 0.420 589 A N 0.880 123.664 122.820 -0.060 0.000 1.933 589 A HA -0.138 4.183 4.320 0.001 0.000 0.218 589 A C 2.524 180.093 177.584 -0.026 0.000 1.175 589 A CA 1.766 53.794 52.037 -0.015 0.000 0.628 589 A CB -0.675 18.292 19.000 -0.055 0.000 0.814 589 A HN 0.421 nan 8.150 nan 0.000 0.444 590 A N -0.940 121.829 122.820 -0.085 0.000 1.898 590 A HA -0.153 4.167 4.320 0.001 0.000 0.216 590 A C 2.000 179.588 177.584 0.007 0.000 1.181 590 A CA 1.988 53.996 52.037 -0.048 0.000 0.620 590 A CB -0.855 18.102 19.000 -0.072 0.000 0.819 590 A HN 0.777 nan 8.150 nan 0.000 0.442 591 H N -0.595 118.445 119.070 -0.049 0.000 2.353 591 H HA -0.034 4.523 4.556 0.001 0.000 0.300 591 H C 1.976 177.298 175.328 -0.010 0.000 1.090 591 H CA 2.214 58.245 56.048 -0.028 0.000 1.327 591 H CB -0.202 29.542 29.762 -0.030 0.000 1.383 591 H HN 0.429 nan 8.280 nan 0.000 0.508 592 M N -0.378 119.277 119.600 0.092 0.000 2.132 592 M HA -0.091 4.389 4.480 0.001 0.000 0.263 592 M C 1.821 178.111 176.300 -0.018 0.000 1.065 592 M CA 1.265 56.595 55.300 0.049 0.000 1.122 592 M CB 0.059 32.715 32.600 0.092 0.000 1.365 592 M HN 0.280 nan 8.290 nan 0.000 0.411 593 L N -0.175 121.042 121.223 -0.010 0.000 2.558 593 L HA 0.031 4.372 4.340 0.001 0.000 0.225 593 L C 0.014 176.863 176.870 -0.035 0.000 1.128 593 L CA 0.078 54.910 54.840 -0.012 0.000 0.868 593 L CB -0.348 41.723 42.059 0.021 0.000 1.006 593 L HN 0.338 nan 8.230 nan 0.000 0.454 594 E N 0.285 120.440 120.200 -0.074 0.000 2.271 594 E HA -0.175 4.175 4.350 0.001 0.000 0.223 594 E C -0.557 176.016 176.600 -0.045 0.000 1.223 594 E CA 0.390 56.737 56.400 -0.088 0.000 0.704 594 E CB -1.666 27.981 29.700 -0.088 0.000 1.194 594 E HN 0.403 nan 8.360 nan 0.000 0.375 595 V N -2.696 117.199 119.914 -0.032 0.000 3.182 595 V HA 0.571 4.691 4.120 0.001 0.000 0.308 595 V C -0.043 176.042 176.094 -0.016 0.000 1.240 595 V CA -1.091 61.201 62.300 -0.014 0.000 1.063 595 V CB 2.112 33.937 31.823 0.004 0.000 1.076 595 V HN 0.181 nan 8.190 nan 0.000 0.446 596 N N -0.131 118.564 118.700 -0.008 0.000 2.445 596 N HA 0.290 5.031 4.740 0.001 0.000 0.264 596 N C 0.861 176.360 175.510 -0.019 0.000 1.227 596 N CA 0.077 53.120 53.050 -0.011 0.000 0.963 596 N CB 1.277 39.763 38.487 -0.002 0.000 1.188 596 N HN 0.833 nan 8.380 nan 0.000 0.491 597 E N 0.122 120.304 120.200 -0.030 0.000 2.015 597 E HA -0.209 4.142 4.350 0.001 0.000 0.191 597 E C 0.595 177.188 176.600 -0.012 0.000 0.991 597 E CA 0.947 57.316 56.400 -0.052 0.000 0.802 597 E CB -0.139 29.524 29.700 -0.062 0.000 0.759 597 E HN 0.534 nan 8.360 nan 0.000 0.447 598 N N 1.101 119.807 118.700 0.009 0.000 2.680 598 N HA -0.111 4.630 4.740 0.001 0.000 0.197 598 N C 0.409 175.946 175.510 0.045 0.000 1.288 598 N CA 0.564 53.635 53.050 0.035 0.000 0.924 598 N CB 0.013 38.519 38.487 0.031 0.000 1.025 598 N HN 0.066 nan 8.380 nan 0.000 0.447 599 D N -0.856 119.566 120.400 0.038 0.000 2.360 599 D HA 0.150 4.790 4.640 0.001 0.000 0.210 599 D C -0.078 176.267 176.300 0.074 0.000 1.047 599 D CA 0.130 54.158 54.000 0.047 0.000 0.854 599 D CB 0.586 41.404 40.800 0.030 0.000 0.936 599 D HN 0.268 nan 8.370 nan 0.000 0.514 600 L N 0.644 121.923 121.223 0.093 0.000 2.334 600 L HA 0.362 4.702 4.340 0.001 0.000 0.275 600 L C -0.195 176.830 176.870 0.259 0.000 1.036 600 L CA -0.682 54.261 54.840 0.172 0.000 0.807 600 L CB 1.689 43.830 42.059 0.137 0.000 1.231 600 L HN -0.321 nan 8.230 nan 0.000 0.438 601 D N 1.249 121.829 120.400 0.301 0.000 2.375 601 D HA 0.192 4.832 4.640 0.001 0.000 0.247 601 D C -1.265 175.248 176.300 0.355 0.000 1.061 601 D CA -0.244 53.926 54.000 0.283 0.000 0.834 601 D CB 2.253 43.145 40.800 0.152 0.000 1.247 601 D HN 0.372 nan 8.370 nan 0.000 0.489 602 W N 3.488 124.878 121.300 0.150 0.000 2.331 602 W HA 0.276 4.936 4.660 0.001 0.000 0.306 602 W C -0.578 175.918 176.519 -0.039 0.000 1.162 602 W CA -0.443 56.880 57.345 -0.037 0.000 1.232 602 W CB 0.859 30.311 29.460 -0.013 0.000 1.235 602 W HN 0.371 nan 8.180 nan 0.000 0.479 603 E N 5.969 125.729 120.200 -0.734 0.000 2.437 603 E HA 0.284 4.634 4.350 0.001 0.000 0.238 603 E C 0.632 176.744 176.600 -0.813 0.000 0.969 603 E CA -0.189 55.866 56.400 -0.575 0.000 0.759 603 E CB 0.752 30.258 29.700 -0.324 0.000 1.283 603 E HN 0.511 nan 8.360 nan 0.000 0.416 604 V N 3.087 122.541 119.914 -0.767 0.000 0.524 604 V HA -0.438 3.682 4.120 0.001 0.000 0.092 604 V C 0.706 176.459 176.094 -0.567 0.000 2.204 604 V CA 2.471 64.484 62.300 -0.478 0.000 3.556 604 V CB -1.204 30.452 31.823 -0.279 0.000 0.846 604 V HN 0.887 nan 8.190 nan 0.000 0.884 605 D N -0.032 119.886 120.400 -0.804 0.000 2.740 605 D HA 0.341 4.981 4.640 0.001 0.000 0.305 605 D C 0.057 176.005 176.300 -0.587 0.000 1.583 605 D CA 0.285 53.967 54.000 -0.531 0.000 0.790 605 D CB 0.108 40.818 40.800 -0.150 0.000 1.187 605 D HN 0.979 nan 8.370 nan 0.000 0.447 606 R N -1.824 117.999 120.500 -1.129 0.000 2.712 606 R HA 0.618 4.958 4.340 0.001 0.000 0.272 606 R C -1.795 174.244 176.300 -0.436 0.000 1.032 606 R CA -0.933 54.909 56.100 -0.431 0.000 0.874 606 R CB 0.449 30.701 30.300 -0.080 0.000 1.256 606 R HN -0.182 nan 8.270 nan 0.000 0.468 607 F N 1.864 121.934 119.950 0.199 0.000 2.402 607 F HA 0.429 4.957 4.527 0.001 0.000 0.355 607 F C 0.010 175.928 175.800 0.195 0.000 1.123 607 F CA -0.419 57.737 58.000 0.261 0.000 1.021 607 F CB 1.825 40.989 39.000 0.274 0.000 1.160 607 F HN 0.476 nan 8.300 nan 0.000 0.451 608 K N 1.932 122.525 120.400 0.322 0.000 2.208 608 K HA 0.789 5.109 4.320 0.001 0.000 0.247 608 K C -1.287 175.433 176.600 0.201 0.000 0.953 608 K CA -0.965 55.472 56.287 0.250 0.000 0.837 608 K CB 1.920 34.501 32.500 0.135 0.000 1.131 608 K HN 0.251 nan 8.250 nan 0.000 0.431 609 V N 2.843 122.856 119.914 0.163 0.000 2.508 609 V HA 0.051 4.172 4.120 0.001 0.000 0.281 609 V C 0.206 176.355 176.094 0.092 0.000 1.041 609 V CA -0.485 61.884 62.300 0.115 0.000 1.016 609 V CB 0.402 32.280 31.823 0.091 0.000 0.984 609 V HN 0.694 nan 8.190 nan 0.000 0.478 610 K N 3.862 124.312 120.400 0.082 0.000 2.491 610 K HA 0.244 4.565 4.320 0.001 0.000 0.279 610 K C 1.264 177.893 176.600 0.049 0.000 1.026 610 K CA 0.942 57.268 56.287 0.065 0.000 1.070 610 K CB 0.063 32.599 32.500 0.061 0.000 0.887 610 K HN 1.144 nan 8.250 nan 0.000 0.481 611 G N 2.514 111.338 108.800 0.040 0.000 2.148 611 G HA2 -0.240 3.720 3.960 0.001 0.000 0.254 611 G HA3 -0.240 3.720 3.960 0.001 0.000 0.254 611 G C -0.306 174.615 174.900 0.034 0.000 0.981 611 G CA 0.310 45.429 45.100 0.032 0.000 0.670 611 G HN 0.701 nan 8.290 nan 0.000 0.528 612 D N -0.310 120.117 120.400 0.044 0.000 2.584 612 D HA 0.320 4.961 4.640 0.001 0.000 0.238 612 D C 0.771 177.114 176.300 0.071 0.000 1.302 612 D CA -0.388 53.643 54.000 0.052 0.000 0.884 612 D CB 0.255 41.088 40.800 0.055 0.000 1.456 612 D HN -0.062 nan 8.370 nan 0.000 0.528 613 D N 0.059 120.487 120.400 0.047 0.000 2.182 613 D HA -0.170 4.471 4.640 0.001 0.000 0.201 613 D C 2.026 178.395 176.300 0.115 0.000 0.986 613 D CA 1.352 55.371 54.000 0.031 0.000 0.847 613 D CB 0.045 40.825 40.800 -0.033 0.000 0.942 613 D HN 0.473 nan 8.370 nan 0.000 0.467 614 S N -0.143 115.637 115.700 0.132 0.000 2.442 614 S HA -0.132 4.338 4.470 0.001 0.000 0.236 614 S C 0.852 175.633 174.600 0.302 0.000 1.007 614 S CA 0.616 58.941 58.200 0.209 0.000 0.965 614 S CB -0.236 63.035 63.200 0.117 0.000 0.773 614 S HN 0.139 nan 8.310 nan 0.000 0.504 615 K N 1.666 122.216 120.400 0.250 0.000 2.354 615 K HA 0.492 4.813 4.320 0.001 0.000 0.257 615 K C -1.049 175.716 176.600 0.276 0.000 1.062 615 K CA -0.549 55.844 56.287 0.176 0.000 0.971 615 K CB 0.549 33.106 32.500 0.095 0.000 1.305 615 K HN 0.486 nan 8.250 nan 0.000 0.449 616 F N -0.733 119.245 119.950 0.047 0.000 2.662 616 F HA 0.629 5.156 4.527 0.001 0.000 0.312 616 F C -1.324 174.526 175.800 0.084 0.000 1.113 616 F CA -1.322 56.719 58.000 0.068 0.000 0.951 616 F CB 1.304 40.323 39.000 0.031 0.000 1.344 616 F HN -0.136 nan 8.300 nan 0.000 0.462 617 K N 1.977 122.483 120.400 0.177 0.000 2.541 617 K HA 0.349 4.669 4.320 0.001 0.000 0.250 617 K C -0.722 176.041 176.600 0.271 0.000 0.950 617 K CA -0.398 55.955 56.287 0.110 0.000 0.805 617 K CB 1.911 34.495 32.500 0.141 0.000 1.166 617 K HN 1.011 nan 8.250 nan 0.000 0.430 618 T N -0.922 113.768 114.554 0.225 0.000 2.788 618 T HA 0.130 4.480 4.350 0.001 0.000 0.287 618 T C 1.441 176.287 174.700 0.243 0.000 1.007 618 T CA -0.545 61.690 62.100 0.225 0.000 1.005 618 T CB 0.653 69.634 68.868 0.188 0.000 1.012 618 T HN 0.436 nan 8.240 nan 0.000 0.530 619 M N 1.239 120.992 119.600 0.254 0.000 2.279 619 M HA 0.090 4.570 4.480 0.001 0.000 0.264 619 M C 2.223 178.652 176.300 0.215 0.000 1.062 619 M CA 1.631 57.090 55.300 0.266 0.000 1.099 619 M CB -1.524 31.242 32.600 0.276 0.000 1.394 619 M HN 0.890 nan 8.290 nan 0.000 0.426 620 A N -0.275 122.657 122.820 0.186 0.000 1.873 620 A HA -0.154 4.166 4.320 0.001 0.000 0.215 620 A C 1.908 179.616 177.584 0.207 0.000 1.186 620 A CA 1.947 54.089 52.037 0.176 0.000 0.616 620 A CB -0.935 18.143 19.000 0.130 0.000 0.823 620 A HN 0.526 nan 8.150 nan 0.000 0.442 621 D N 0.225 120.734 120.400 0.181 0.000 2.117 621 D HA -0.136 4.504 4.640 0.001 0.000 0.197 621 D C 1.909 178.346 176.300 0.229 0.000 0.987 621 D CA 1.398 55.509 54.000 0.185 0.000 0.829 621 D CB -0.369 40.501 40.800 0.116 0.000 0.961 621 D HN 0.541 nan 8.370 nan 0.000 0.460 622 I N 1.351 122.049 120.570 0.214 0.000 2.226 622 I HA -0.235 3.936 4.170 0.001 0.000 0.245 622 I C 2.604 178.831 176.117 0.184 0.000 1.100 622 I CA 0.945 62.360 61.300 0.191 0.000 1.374 622 I CB -0.293 37.834 38.000 0.211 0.000 1.057 622 I HN -0.091 nan 8.210 nan 0.000 0.413 623 A N 1.128 124.084 122.820 0.226 0.000 1.883 623 A HA -0.272 4.048 4.320 0.001 0.000 0.217 623 A C 2.293 180.082 177.584 0.341 0.000 1.186 623 A CA 1.623 53.821 52.037 0.269 0.000 0.624 623 A CB -1.280 17.888 19.000 0.280 0.000 0.822 623 A HN 0.741 nan 8.150 nan 0.000 0.444 624 W N 0.607 122.023 121.300 0.193 0.000 2.335 624 W HA -0.266 4.394 4.660 0.001 0.000 0.311 624 W C 2.086 178.736 176.519 0.218 0.000 1.213 624 W CA 2.365 59.821 57.345 0.186 0.000 1.274 624 W CB -0.332 29.181 29.460 0.087 0.000 1.148 624 W HN 0.500 nan 8.180 nan 0.000 0.498 625 Q N 1.195 121.039 119.800 0.074 0.000 2.135 625 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 625 Q C 2.279 178.232 176.000 -0.079 0.000 0.981 625 Q CA 2.882 58.692 55.803 0.011 0.000 0.856 625 Q CB -0.853 27.952 28.738 0.112 0.000 0.902 625 Q HN 0.224 nan 8.270 nan 0.000 0.425 626 A N -1.079 121.703 122.820 -0.064 0.000 1.972 626 A HA -0.159 4.162 4.320 0.001 0.000 0.219 626 A C 1.492 178.872 177.584 -0.341 0.000 1.169 626 A CA 1.484 53.408 52.037 -0.187 0.000 0.635 626 A CB -0.649 18.238 19.000 -0.189 0.000 0.810 626 A HN 0.571 nan 8.150 nan 0.000 0.446 627 Y N -2.548 117.603 120.300 -0.249 0.000 2.509 627 Y HA 0.066 4.617 4.550 0.001 0.000 0.270 627 Y C 2.288 177.947 175.900 -0.400 0.000 1.103 627 Y CA 0.964 58.886 58.100 -0.296 0.000 1.278 627 Y CB -0.221 38.060 38.460 -0.299 0.000 1.087 627 Y HN 0.605 nan 8.280 nan 0.000 0.542 628 H N 0.140 118.896 119.070 -0.524 0.000 2.317 628 H HA 0.044 4.600 4.556 0.001 0.000 0.304 628 H C 0.430 175.624 175.328 -0.223 0.000 1.067 628 H CA 1.465 57.218 56.048 -0.493 0.000 1.352 628 H CB 0.460 29.803 29.762 -0.697 0.000 1.398 628 H HN 0.138 nan 8.280 nan 0.000 0.510 629 Q N 0.876 120.503 119.800 -0.288 0.000 2.759 629 Q HA 0.266 4.606 4.340 0.001 0.000 0.225 629 Q C -2.968 172.925 176.000 -0.178 0.000 0.823 629 Q CA -2.076 53.569 55.803 -0.263 0.000 0.828 629 Q CB 1.622 30.226 28.738 -0.223 0.000 1.425 629 Q HN 0.207 nan 8.270 nan 0.000 0.449 630 P HA 0.240 nan 4.420 nan 0.000 0.271 630 P C -2.371 174.778 177.300 -0.252 0.000 1.216 630 P CA -1.075 61.901 63.100 -0.206 0.000 0.771 630 P CB 0.535 32.122 31.700 -0.188 0.000 0.864 631 P HA 0.035 nan 4.420 nan 0.000 0.268 631 P C -0.047 177.086 177.300 -0.278 0.000 1.208 631 P CA 0.190 62.963 63.100 -0.546 0.000 0.777 631 P CB 0.201 31.544 31.700 -0.595 0.000 0.875 632 A N 2.608 125.304 122.820 -0.207 0.000 2.584 632 A HA 0.357 4.677 4.320 0.001 0.000 0.239 632 A C 1.515 179.045 177.584 -0.089 0.000 1.043 632 A CA 0.853 52.828 52.037 -0.104 0.000 0.756 632 A CB -1.470 17.503 19.000 -0.045 0.000 0.963 632 A HN 0.920 nan 8.150 nan 0.000 0.511 633 G N 0.831 109.585 108.800 -0.076 0.000 2.143 633 G HA2 -0.177 3.784 3.960 0.001 0.000 0.249 633 G HA3 -0.177 3.784 3.960 0.001 0.000 0.249 633 G C -0.111 174.744 174.900 -0.076 0.000 0.981 633 G CA 0.422 45.483 45.100 -0.065 0.000 0.665 633 G HN 0.938 nan 8.290 nan 0.000 0.528 634 L N 0.169 121.333 121.223 -0.098 0.000 2.386 634 L HA 0.510 4.850 4.340 0.001 0.000 0.271 634 L C 0.331 177.134 176.870 -0.112 0.000 0.993 634 L CA -0.990 53.787 54.840 -0.105 0.000 0.819 634 L CB 1.838 43.821 42.059 -0.126 0.000 1.294 634 L HN 0.159 nan 8.230 nan 0.000 0.414 635 E N 2.651 122.788 120.200 -0.104 0.000 2.373 635 E HA 0.234 4.584 4.350 0.001 0.000 0.263 635 E C -2.251 174.260 176.600 -0.148 0.000 1.073 635 E CA -1.563 54.771 56.400 -0.109 0.000 0.894 635 E CB 0.603 30.249 29.700 -0.091 0.000 1.008 635 E HN 0.319 nan 8.360 nan 0.000 0.420 636 P HA 0.168 nan 4.420 nan 0.000 0.273 636 P C -0.261 176.846 177.300 -0.321 0.000 1.250 636 P CA 0.160 63.115 63.100 -0.241 0.000 0.793 636 P CB 0.529 32.105 31.700 -0.206 0.000 1.011 637 G N -0.647 107.805 108.800 -0.580 0.000 2.710 637 G HA2 0.080 4.040 3.960 0.001 0.000 0.668 637 G HA3 0.080 4.040 3.960 0.001 0.000 0.668 637 G C -1.845 172.797 174.900 -0.430 0.000 1.320 637 G CA -0.473 44.191 45.100 -0.728 0.000 0.860 637 G HN 0.702 nan 8.290 nan 0.000 0.538 638 L N 1.045 122.110 121.223 -0.263 0.000 2.487 638 L HA 0.671 5.011 4.340 0.001 0.000 0.261 638 L C -0.282 176.578 176.870 -0.017 0.000 1.223 638 L CA 0.316 55.099 54.840 -0.095 0.000 0.883 638 L CB 0.744 42.785 42.059 -0.030 0.000 1.065 638 L HN 1.164 nan 8.230 nan 0.000 0.488 639 E N 2.894 123.081 120.200 -0.022 0.000 2.445 639 E HA 0.955 5.306 4.350 0.001 0.000 0.279 639 E C -1.653 174.950 176.600 0.005 0.000 1.018 639 E CA -1.031 55.371 56.400 0.005 0.000 0.816 639 E CB 2.137 31.852 29.700 0.023 0.000 1.356 639 E HN 0.453 nan 8.360 nan 0.000 0.462 640 A N 0.485 123.317 122.820 0.019 0.000 2.610 640 A HA 0.715 5.035 4.320 0.001 0.000 0.291 640 A C -1.736 175.880 177.584 0.053 0.000 1.086 640 A CA -0.399 51.658 52.037 0.033 0.000 0.677 640 A CB 2.022 21.042 19.000 0.032 0.000 1.278 640 A HN 0.671 nan 8.150 nan 0.000 0.414 641 V N 0.166 120.129 119.914 0.083 0.000 3.007 641 V HA 0.848 4.968 4.120 0.001 0.000 0.311 641 V C -1.470 174.731 176.094 0.178 0.000 1.120 641 V CA -0.369 62.002 62.300 0.118 0.000 0.980 641 V CB 2.306 34.219 31.823 0.149 0.000 1.033 641 V HN 1.332 nan 8.190 nan 0.000 0.429 642 H N 3.862 122.977 119.070 0.075 0.000 3.042 642 H HA 0.559 5.116 4.556 0.001 0.000 0.345 642 H C -2.096 173.279 175.328 0.079 0.000 1.052 642 H CA -0.294 55.812 56.048 0.096 0.000 1.311 642 H CB 1.468 31.242 29.762 0.021 0.000 1.810 642 H HN 0.642 nan 8.280 nan 0.000 0.505 643 Y N 4.513 124.640 120.300 -0.288 0.000 2.434 643 Y HA 0.177 4.727 4.550 0.001 0.000 0.341 643 Y C -0.867 175.009 175.900 -0.041 0.000 0.965 643 Y CA -0.582 57.438 58.100 -0.134 0.000 1.205 643 Y CB 0.431 38.690 38.460 -0.335 0.000 1.121 643 Y HN 0.575 nan 8.280 nan 0.000 0.507 644 Y N 3.576 123.962 120.300 0.144 0.000 2.367 644 Y HA 0.278 4.829 4.550 0.001 0.000 0.342 644 Y C -0.441 175.552 175.900 0.155 0.000 0.979 644 Y CA -1.125 57.079 58.100 0.173 0.000 1.161 644 Y CB 0.588 39.134 38.460 0.144 0.000 1.155 644 Y HN 0.532 nan 8.280 nan 0.000 0.503 645 D N 9.194 129.411 120.400 -0.305 0.000 2.443 645 D HA 0.259 4.899 4.640 0.001 0.000 0.221 645 D C -2.655 173.273 176.300 -0.620 0.000 1.097 645 D CA -2.284 51.566 54.000 -0.250 0.000 0.865 645 D CB 0.836 41.555 40.800 -0.136 0.000 1.034 645 D HN 0.262 nan 8.370 nan 0.000 0.511 646 P HA 0.060 nan 4.420 nan 0.000 0.265 646 P C -2.051 175.063 177.300 -0.309 0.000 1.193 646 P CA -0.933 61.881 63.100 -0.478 0.000 0.765 646 P CB 0.967 32.593 31.700 -0.124 0.000 0.823 647 P HA -0.038 nan 4.420 nan 0.000 0.224 647 P C 0.328 177.521 177.300 -0.179 0.000 1.157 647 P CA 1.170 64.163 63.100 -0.177 0.000 0.799 647 P CB 0.485 32.112 31.700 -0.121 0.000 0.809 648 N N -2.132 116.391 118.700 -0.294 0.000 2.927 648 N HA 0.295 5.035 4.740 0.001 0.000 0.248 648 N C -1.111 174.357 175.510 -0.070 0.000 1.443 648 N CA -0.750 52.210 53.050 -0.151 0.000 0.870 648 N CB 0.255 38.625 38.487 -0.194 0.000 1.444 648 N HN -0.351 nan 8.380 nan 0.000 0.519 649 F N -0.186 119.849 119.950 0.142 0.000 2.299 649 F HA 0.410 4.937 4.527 0.001 0.000 0.293 649 F C 1.465 177.361 175.800 0.160 0.000 1.252 649 F CA 0.208 58.233 58.000 0.040 0.000 1.160 649 F CB 0.656 39.510 39.000 -0.244 0.000 1.405 649 F HN 0.126 nan 8.300 nan 0.000 0.517 650 T N -0.088 114.572 114.554 0.177 0.000 2.855 650 T HA 0.419 4.769 4.350 0.001 0.000 0.281 650 T C -1.511 173.104 174.700 -0.141 0.000 1.007 650 T CA -0.299 61.912 62.100 0.185 0.000 1.009 650 T CB 0.310 69.264 68.868 0.144 0.000 0.983 650 T HN 0.252 nan 8.240 nan 0.000 0.455 651 Y N 4.434 124.792 120.300 0.096 0.000 2.837 651 Y HA 0.315 4.866 4.550 0.001 0.000 0.356 651 Y C -2.103 173.808 175.900 0.019 0.000 1.035 651 Y CA -2.659 55.433 58.100 -0.015 0.000 1.165 651 Y CB 0.567 38.966 38.460 -0.101 0.000 1.147 651 Y HN 0.400 nan 8.280 nan 0.000 0.628 652 P HA 0.312 nan 4.420 nan 0.000 0.274 652 P C -0.643 176.679 177.300 0.038 0.000 1.256 652 P CA -0.053 63.066 63.100 0.031 0.000 0.795 652 P CB 1.542 33.215 31.700 -0.047 0.000 1.038 653 F N -2.513 117.275 119.950 -0.270 0.000 2.715 653 F HA 0.901 5.428 4.527 0.001 0.000 0.318 653 F C -0.800 174.537 175.800 -0.772 0.000 1.141 653 F CA -0.983 56.656 58.000 -0.602 0.000 0.950 653 F CB 1.172 39.895 39.000 -0.463 0.000 1.374 653 F HN 0.594 nan 8.300 nan 0.000 0.477 654 G N 0.535 108.695 108.800 -1.066 0.000 2.667 654 G HA2 0.573 4.534 3.960 0.001 0.000 0.294 654 G HA3 0.573 4.534 3.960 0.001 0.000 0.294 654 G C -2.649 171.961 174.900 -0.483 0.000 1.467 654 G CA -0.811 43.814 45.100 -0.790 0.000 0.852 654 G HN 0.607 nan 8.290 nan 0.000 0.521 655 I N 1.638 122.195 120.570 -0.022 0.000 2.390 655 I HA 0.426 4.597 4.170 0.001 0.000 0.283 655 I C -1.215 175.158 176.117 0.428 0.000 1.016 655 I CA -0.908 60.478 61.300 0.143 0.000 1.151 655 I CB 1.180 39.266 38.000 0.143 0.000 1.293 655 I HN 0.305 nan 8.210 nan 0.000 0.458 656 Y N 6.478 126.878 120.300 0.166 0.000 2.352 656 Y HA 0.661 5.211 4.550 0.001 0.000 0.339 656 Y C -0.281 175.534 175.900 -0.140 0.000 0.992 656 Y CA -1.510 56.620 58.100 0.051 0.000 1.100 656 Y CB 1.874 40.403 38.460 0.114 0.000 1.192 656 Y HN 0.375 nan 8.280 nan 0.000 0.458 657 L N 3.895 125.031 121.223 -0.145 0.000 2.386 657 L HA 0.770 5.110 4.340 0.001 0.000 0.271 657 L C -1.388 175.195 176.870 -0.478 0.000 0.993 657 L CA -0.394 54.326 54.840 -0.199 0.000 0.819 657 L CB 1.691 43.731 42.059 -0.032 0.000 1.294 657 L HN 0.810 nan 8.230 nan 0.000 0.414 658 C N 4.482 123.577 119.300 -0.342 0.000 2.698 658 C HA 0.814 5.274 4.460 0.001 0.000 0.309 658 C C -0.991 174.001 174.990 0.004 0.000 1.186 658 C CA -0.366 58.514 59.018 -0.230 0.000 1.474 658 C CB 1.619 29.218 27.740 -0.235 0.000 2.020 658 C HN 0.607 nan 8.230 nan 0.000 0.474 659 V N 6.003 125.969 119.914 0.087 0.000 2.448 659 V HA 0.684 4.805 4.120 0.001 0.000 0.295 659 V C -0.020 176.153 176.094 0.131 0.000 1.025 659 V CA -0.305 62.048 62.300 0.089 0.000 0.859 659 V CB 1.506 33.369 31.823 0.068 0.000 0.988 659 V HN 0.930 nan 8.190 nan 0.000 0.431 660 V N 0.761 120.742 119.914 0.112 0.000 2.864 660 V HA 0.772 4.892 4.120 0.001 0.000 0.314 660 V C -1.105 175.029 176.094 0.067 0.000 1.073 660 V CA -0.688 61.685 62.300 0.123 0.000 0.956 660 V CB 2.487 34.400 31.823 0.150 0.000 1.023 660 V HN 0.726 nan 8.190 nan 0.000 0.435 661 D N 3.494 123.932 120.400 0.064 0.000 2.481 661 D HA 0.565 5.205 4.640 0.001 0.000 0.246 661 D C -0.604 175.720 176.300 0.039 0.000 1.109 661 D CA 0.025 54.044 54.000 0.032 0.000 0.845 661 D CB 2.373 43.189 40.800 0.027 0.000 1.160 661 D HN 0.595 nan 8.370 nan 0.000 0.534 662 I N 1.197 121.777 120.570 0.018 0.000 2.359 662 I HA 0.107 4.278 4.170 0.001 0.000 0.294 662 I C 0.529 176.661 176.117 0.025 0.000 0.987 662 I CA -0.696 60.623 61.300 0.033 0.000 1.225 662 I CB 1.621 39.637 38.000 0.027 0.000 1.366 662 I HN 0.129 nan 8.210 nan 0.000 0.466 663 D N 6.827 127.259 120.400 0.054 0.000 2.336 663 D HA 0.083 4.723 4.640 0.001 0.000 0.249 663 D C 1.103 177.452 176.300 0.081 0.000 1.213 663 D CA -0.099 53.935 54.000 0.057 0.000 0.870 663 D CB 0.941 41.780 40.800 0.064 0.000 1.076 663 D HN 0.482 nan 8.370 nan 0.000 0.483 664 R N 2.775 123.308 120.500 0.054 0.000 2.193 664 R HA -0.120 4.220 4.340 0.001 0.000 0.229 664 R C 1.684 178.067 176.300 0.137 0.000 1.110 664 R CA 1.063 57.201 56.100 0.064 0.000 0.988 664 R CB 0.051 30.361 30.300 0.017 0.000 0.871 664 R HN 0.422 nan 8.270 nan 0.000 0.458 665 A N 0.539 123.441 122.820 0.137 0.000 1.975 665 A HA -0.084 4.236 4.320 0.001 0.000 0.215 665 A C 2.097 179.819 177.584 0.230 0.000 1.170 665 A CA 1.582 53.723 52.037 0.174 0.000 0.656 665 A CB -0.110 18.951 19.000 0.103 0.000 0.821 665 A HN 0.420 nan 8.150 nan 0.000 0.449 666 T N -6.244 108.421 114.554 0.186 0.000 2.969 666 T HA 0.431 4.781 4.350 0.001 0.000 0.250 666 T C 1.408 176.239 174.700 0.219 0.000 1.021 666 T CA 1.145 63.322 62.100 0.128 0.000 1.003 666 T CB 0.436 69.335 68.868 0.050 0.000 1.040 666 T HN 1.655 nan 8.240 nan 0.000 0.492 667 G N 1.514 110.475 108.800 0.269 0.000 2.176 667 G HA2 -0.216 3.744 3.960 0.001 0.000 0.253 667 G HA3 -0.216 3.744 3.960 0.001 0.000 0.253 667 G C -0.256 174.748 174.900 0.172 0.000 0.979 667 G CA -0.020 45.246 45.100 0.277 0.000 0.641 667 G HN 0.658 nan 8.290 nan 0.000 0.530 668 E N 1.266 121.539 120.200 0.122 0.000 2.366 668 E HA 0.388 4.738 4.350 0.001 0.000 0.266 668 E C -0.046 176.604 176.600 0.084 0.000 1.015 668 E CA 0.420 56.871 56.400 0.085 0.000 0.906 668 E CB 0.573 30.312 29.700 0.064 0.000 0.979 668 E HN 0.161 nan 8.360 nan 0.000 0.443 669 T N 3.588 118.188 114.554 0.077 0.000 2.767 669 T HA 0.279 4.629 4.350 0.001 0.000 0.284 669 T C -0.274 174.488 174.700 0.103 0.000 0.973 669 T CA -0.610 61.540 62.100 0.085 0.000 0.996 669 T CB 0.863 69.776 68.868 0.075 0.000 0.927 669 T HN 0.151 nan 8.240 nan 0.000 0.456 670 K N 3.151 123.616 120.400 0.108 0.000 2.358 670 K HA 0.490 4.810 4.320 0.001 0.000 0.260 670 K C -0.944 175.745 176.600 0.149 0.000 0.956 670 K CA -0.655 55.704 56.287 0.120 0.000 0.834 670 K CB 0.930 33.477 32.500 0.078 0.000 1.102 670 K HN 0.337 nan 8.250 nan 0.000 0.431 671 V N 6.551 126.588 119.914 0.206 0.000 2.421 671 V HA 0.113 4.234 4.120 0.001 0.000 0.271 671 V C 1.551 177.737 176.094 0.155 0.000 1.031 671 V CA 0.111 62.562 62.300 0.253 0.000 1.032 671 V CB 0.644 32.696 31.823 0.381 0.000 1.009 671 V HN 0.801 nan 8.190 nan 0.000 0.477 672 R N 4.036 124.621 120.500 0.143 0.000 2.093 672 R HA 0.145 4.486 4.340 0.001 0.000 0.224 672 R C 1.059 177.428 176.300 0.115 0.000 1.101 672 R CA 0.855 57.014 56.100 0.097 0.000 0.979 672 R CB 0.303 30.648 30.300 0.076 0.000 0.877 672 R HN 0.687 nan 8.270 nan 0.000 0.441 673 R N -0.942 119.659 120.500 0.169 0.000 2.629 673 R HA 0.239 4.579 4.340 0.001 0.000 0.266 673 R C -2.198 174.285 176.300 0.305 0.000 1.051 673 R CA -0.632 55.593 56.100 0.208 0.000 0.895 673 R CB 1.276 31.672 30.300 0.161 0.000 1.246 673 R HN 0.020 nan 8.270 nan 0.000 0.459 674 F N 3.574 123.658 119.950 0.223 0.000 2.653 674 F HA 0.381 4.908 4.527 0.001 0.000 0.327 674 F C -1.987 173.977 175.800 0.273 0.000 1.195 674 F CA -0.552 57.611 58.000 0.271 0.000 0.993 674 F CB 1.340 40.594 39.000 0.425 0.000 1.259 674 F HN 0.499 nan 8.300 nan 0.000 0.478 675 Y N 4.601 124.943 120.300 0.069 0.000 2.328 675 Y HA 0.746 5.296 4.550 0.001 0.000 0.337 675 Y C -0.761 175.190 175.900 0.086 0.000 0.966 675 Y CA -0.662 57.515 58.100 0.129 0.000 1.136 675 Y CB 1.382 39.878 38.460 0.061 0.000 1.170 675 Y HN 0.722 nan 8.280 nan 0.000 0.470 676 A N 7.510 130.304 122.820 -0.044 0.000 2.311 676 A HA 0.583 4.903 4.320 0.001 0.000 0.306 676 A C -1.909 175.694 177.584 0.031 0.000 1.189 676 A CA -0.696 51.295 52.037 -0.077 0.000 0.791 676 A CB 0.629 19.381 19.000 -0.412 0.000 1.172 676 A HN 0.833 nan 8.150 nan 0.000 0.481 677 L N 3.140 124.545 121.223 0.302 0.000 2.305 677 L HA 0.542 4.883 4.340 0.001 0.000 0.284 677 L C -1.307 175.671 176.870 0.181 0.000 1.013 677 L CA -0.402 54.553 54.840 0.192 0.000 0.819 677 L CB 1.176 43.360 42.059 0.207 0.000 1.227 677 L HN 0.641 nan 8.230 nan 0.000 0.417 678 D N 3.544 123.989 120.400 0.075 0.000 2.498 678 D HA 0.270 4.911 4.640 0.001 0.000 0.247 678 D C -1.468 174.696 176.300 -0.226 0.000 1.070 678 D CA -0.302 53.663 54.000 -0.060 0.000 0.842 678 D CB 2.602 43.430 40.800 0.048 0.000 1.361 678 D HN 0.434 nan 8.370 nan 0.000 0.484 679 D N 1.637 121.719 120.400 -0.530 0.000 2.469 679 D HA 0.163 4.803 4.640 0.001 0.000 0.251 679 D C 0.060 176.099 176.300 -0.435 0.000 1.173 679 D CA -0.595 53.053 54.000 -0.587 0.000 0.882 679 D CB 0.503 40.578 40.800 -1.208 0.000 1.129 679 D HN 0.394 nan 8.370 nan 0.000 0.549 680 C N 2.641 121.797 119.300 -0.240 0.000 2.638 680 C HA 0.805 5.266 4.460 0.001 0.000 0.282 680 C C 1.239 176.140 174.990 -0.148 0.000 1.473 680 C CA 0.095 59.013 59.018 -0.167 0.000 1.781 680 C CB -0.999 26.662 27.740 -0.133 0.000 2.780 680 C HN 0.717 nan 8.230 nan 0.000 0.531 681 G N 1.874 110.592 108.800 -0.136 0.000 2.547 681 G HA2 -0.172 3.788 3.960 0.001 0.000 0.271 681 G HA3 -0.172 3.788 3.960 0.001 0.000 0.271 681 G C -0.119 174.711 174.900 -0.116 0.000 1.209 681 G CA 0.117 45.149 45.100 -0.112 0.000 0.959 681 G HN 0.816 nan 8.290 nan 0.000 0.563 682 T N 2.769 117.247 114.554 -0.126 0.000 2.829 682 T HA 0.402 4.752 4.350 0.001 0.000 0.293 682 T C 0.917 175.539 174.700 -0.130 0.000 0.970 682 T CA 0.439 62.472 62.100 -0.113 0.000 1.168 682 T CB 0.074 68.876 68.868 -0.110 0.000 0.911 682 T HN 0.598 nan 8.240 nan 0.000 0.535 683 R N 3.719 124.146 120.500 -0.122 0.000 2.265 683 R HA 0.357 4.698 4.340 0.001 0.000 0.314 683 R C 0.941 177.181 176.300 -0.100 0.000 1.053 683 R CA -0.507 55.512 56.100 -0.134 0.000 0.931 683 R CB 0.889 31.078 30.300 -0.186 0.000 1.024 683 R HN 0.628 nan 8.270 nan 0.000 0.457 684 I N 1.084 121.602 120.570 -0.086 0.000 2.206 684 I HA -0.121 4.049 4.170 0.001 0.000 0.239 684 I C 0.820 176.909 176.117 -0.048 0.000 1.078 684 I CA 0.897 62.163 61.300 -0.056 0.000 1.367 684 I CB 0.028 38.006 38.000 -0.036 0.000 1.078 684 I HN 0.536 nan 8.210 nan 0.000 0.413 685 N N 0.903 119.570 118.700 -0.055 0.000 2.577 685 N HA 0.177 4.918 4.740 0.001 0.000 0.275 685 N C -2.212 173.255 175.510 -0.072 0.000 1.091 685 N CA -1.688 51.333 53.050 -0.049 0.000 0.843 685 N CB 1.808 40.278 38.487 -0.028 0.000 1.295 685 N HN -0.159 nan 8.380 nan 0.000 0.530 686 P HA -0.154 nan 4.420 nan 0.000 0.218 686 P C 1.608 178.853 177.300 -0.091 0.000 1.148 686 P CA 0.871 63.902 63.100 -0.116 0.000 0.822 686 P CB 0.555 32.183 31.700 -0.120 0.000 0.784 687 M N -0.633 118.931 119.600 -0.059 0.000 2.086 687 M HA -0.124 4.357 4.480 0.001 0.000 0.261 687 M C 2.137 178.402 176.300 -0.059 0.000 1.067 687 M CA 1.847 57.120 55.300 -0.045 0.000 1.116 687 M CB -0.514 32.075 32.600 -0.018 0.000 1.348 687 M HN -0.206 nan 8.290 nan 0.000 0.407 688 I N 0.362 120.902 120.570 -0.050 0.000 2.226 688 I HA -0.320 3.851 4.170 0.001 0.000 0.245 688 I C 2.252 178.324 176.117 -0.075 0.000 1.100 688 I CA 1.170 62.442 61.300 -0.047 0.000 1.374 688 I CB -0.333 37.650 38.000 -0.028 0.000 1.057 688 I HN 0.346 nan 8.210 nan 0.000 0.413 689 I N 0.484 120.998 120.570 -0.093 0.000 2.208 689 I HA -0.318 3.852 4.170 0.001 0.000 0.245 689 I C 2.605 178.625 176.117 -0.162 0.000 1.097 689 I CA 1.520 62.751 61.300 -0.115 0.000 1.363 689 I CB -0.399 37.520 38.000 -0.136 0.000 1.051 689 I HN 0.317 nan 8.210 nan 0.000 0.413 690 E N 1.043 121.123 120.200 -0.200 0.000 2.077 690 E HA -0.198 4.152 4.350 0.001 0.000 0.193 690 E C 2.275 178.556 176.600 -0.532 0.000 0.989 690 E CA 1.354 57.544 56.400 -0.351 0.000 0.800 690 E CB -0.213 29.315 29.700 -0.287 0.000 0.746 690 E HN 0.514 nan 8.360 nan 0.000 0.452 691 G N 0.655 109.282 108.800 -0.289 0.000 2.440 691 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 691 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 691 G C 1.515 176.345 174.900 -0.116 0.000 1.154 691 G CA 0.590 45.592 45.100 -0.163 0.000 0.767 691 G HN 0.209 nan 8.290 nan 0.000 0.552 692 Q N 0.045 119.783 119.800 -0.103 0.000 2.170 692 Q HA -0.052 4.288 4.340 0.001 0.000 0.203 692 Q C 2.702 178.649 176.000 -0.087 0.000 0.976 692 Q CA 0.657 56.430 55.803 -0.051 0.000 0.858 692 Q CB -0.287 28.430 28.738 -0.035 0.000 0.907 692 Q HN 0.434 nan 8.270 nan 0.000 0.433 693 I N 0.016 120.479 120.570 -0.178 0.000 2.202 693 I HA -0.225 3.945 4.170 0.001 0.000 0.242 693 I C 2.125 178.066 176.117 -0.293 0.000 1.091 693 I CA 1.393 62.562 61.300 -0.218 0.000 1.368 693 I CB -1.409 36.446 38.000 -0.241 0.000 1.058 693 I HN 0.329 nan 8.210 nan 0.000 0.410 694 H N 0.167 119.074 119.070 -0.272 0.000 2.352 694 H HA -0.117 4.439 4.556 0.001 0.000 0.299 694 H C 2.317 177.473 175.328 -0.287 0.000 1.097 694 H CA 0.954 56.800 56.048 -0.337 0.000 1.311 694 H CB -0.217 29.531 29.762 -0.024 0.000 1.377 694 H HN 0.402 nan 8.280 nan 0.000 0.504 695 G N -0.166 108.630 108.800 -0.007 0.000 2.402 695 G HA2 -0.200 3.760 3.960 0.001 0.000 0.216 695 G HA3 -0.200 3.760 3.960 0.001 0.000 0.216 695 G C 1.914 176.785 174.900 -0.049 0.000 1.162 695 G CA 0.638 45.742 45.100 0.007 0.000 0.777 695 G HN 0.473 nan 8.290 nan 0.000 0.539 696 G N 0.895 109.645 108.800 -0.082 0.000 2.402 696 G HA2 -0.105 3.856 3.960 0.001 0.000 0.216 696 G HA3 -0.105 3.856 3.960 0.001 0.000 0.216 696 G C 1.790 176.569 174.900 -0.201 0.000 1.162 696 G CA 0.626 45.694 45.100 -0.054 0.000 0.777 696 G HN 0.405 nan 8.290 nan 0.000 0.539 697 L N 0.562 121.479 121.223 -0.511 0.000 2.093 697 L HA -0.066 4.274 4.340 0.001 0.000 0.208 697 L C 3.095 179.638 176.870 -0.545 0.000 1.085 697 L CA 1.437 55.750 54.840 -0.879 0.000 0.755 697 L CB -0.801 40.059 42.059 -1.998 0.000 0.904 697 L HN 0.159 nan 8.230 nan 0.000 0.435 698 T N -0.791 113.573 114.554 -0.317 0.000 2.867 698 T HA -0.157 4.193 4.350 0.001 0.000 0.268 698 T C 1.723 176.497 174.700 0.123 0.000 1.057 698 T CA 1.147 63.331 62.100 0.139 0.000 1.136 698 T CB -0.100 68.874 68.868 0.177 0.000 0.874 698 T HN 0.396 nan 8.240 nan 0.000 0.466 699 E N 0.496 120.723 120.200 0.044 0.000 2.106 699 E HA -0.022 4.328 4.350 0.001 0.000 0.192 699 E C 2.558 179.142 176.600 -0.028 0.000 0.984 699 E CA 0.749 57.206 56.400 0.095 0.000 0.806 699 E CB -0.293 29.538 29.700 0.219 0.000 0.750 699 E HN 0.525 nan 8.360 nan 0.000 0.458 700 G N 0.619 109.369 108.800 -0.084 0.000 2.421 700 G HA2 -0.312 3.649 3.960 0.001 0.000 0.216 700 G HA3 -0.312 3.649 3.960 0.001 0.000 0.216 700 G C 1.397 176.359 174.900 0.102 0.000 1.171 700 G CA 0.794 45.879 45.100 -0.025 0.000 0.775 700 G HN 0.285 nan 8.290 nan 0.000 0.543 701 Y N 2.051 122.323 120.300 -0.047 0.000 2.207 701 Y HA -0.051 4.500 4.550 0.001 0.000 0.287 701 Y C 2.910 178.734 175.900 -0.127 0.000 1.156 701 Y CA 1.462 59.298 58.100 -0.439 0.000 1.182 701 Y CB -0.252 38.106 38.460 -0.171 0.000 0.979 701 Y HN 0.261 nan 8.280 nan 0.000 0.521 702 A N -0.681 122.262 122.820 0.205 0.000 1.877 702 A HA -0.166 4.154 4.320 0.001 0.000 0.216 702 A C 2.337 179.980 177.584 0.098 0.000 1.186 702 A CA 2.143 54.341 52.037 0.268 0.000 0.620 702 A CB -1.334 17.799 19.000 0.220 0.000 0.822 702 A HN 0.320 nan 8.150 nan 0.000 0.443 703 V N -0.251 119.665 119.914 0.003 0.000 2.261 703 V HA -0.219 3.901 4.120 0.001 0.000 0.246 703 V C 3.072 179.082 176.094 -0.140 0.000 1.047 703 V CA 2.090 64.359 62.300 -0.053 0.000 1.015 703 V CB -1.258 30.483 31.823 -0.137 0.000 0.642 703 V HN 0.615 nan 8.190 nan 0.000 0.446 704 A N -0.628 122.098 122.820 -0.156 0.000 1.930 704 A HA -0.141 4.179 4.320 0.001 0.000 0.217 704 A C 2.086 179.488 177.584 -0.303 0.000 1.175 704 A CA 1.839 53.773 52.037 -0.173 0.000 0.627 704 A CB -0.342 18.718 19.000 0.100 0.000 0.815 704 A HN 0.445 nan 8.150 nan 0.000 0.443 705 M N -1.711 117.616 119.600 -0.456 0.000 2.510 705 M HA 0.186 4.667 4.480 0.001 0.000 0.256 705 M C 1.658 177.582 176.300 -0.627 0.000 1.132 705 M CA 1.140 56.097 55.300 -0.571 0.000 1.105 705 M CB -0.438 31.554 32.600 -1.013 0.000 1.375 705 M HN 0.478 nan 8.290 nan 0.000 0.477 706 G N -0.927 107.527 108.800 -0.577 0.000 2.351 706 G HA2 0.100 4.061 3.960 0.001 0.000 0.169 706 G HA3 0.100 4.061 3.960 0.001 0.000 0.169 706 G C 0.292 175.022 174.900 -0.284 0.000 1.484 706 G CA -0.369 44.325 45.100 -0.677 0.000 0.715 706 G HN 0.346 nan 8.290 nan 0.000 1.084 707 Q N 0.879 120.598 119.800 -0.136 0.000 2.352 707 Q HA 0.513 4.854 4.340 0.001 0.000 0.260 707 Q C -0.121 175.864 176.000 -0.025 0.000 0.976 707 Q CA 0.307 56.035 55.803 -0.125 0.000 0.881 707 Q CB 0.761 29.461 28.738 -0.064 0.000 1.235 707 Q HN 0.661 nan 8.270 nan 0.000 0.419 708 Q N 0.876 120.714 119.800 0.063 0.000 2.776 708 Q HA 0.460 4.801 4.340 0.001 0.000 0.289 708 Q C -1.469 174.647 176.000 0.194 0.000 0.912 708 Q CA -0.769 55.108 55.803 0.124 0.000 0.789 708 Q CB 1.106 29.883 28.738 0.065 0.000 1.498 708 Q HN 0.552 nan 8.270 nan 0.000 0.408 709 M N 1.972 121.661 119.600 0.149 0.000 2.126 709 M HA 0.362 4.842 4.480 0.001 0.000 0.217 709 M C -2.587 173.672 176.300 -0.069 0.000 0.873 709 M CA -1.482 53.839 55.300 0.036 0.000 0.707 709 M CB 1.675 34.305 32.600 0.050 0.000 1.515 709 M HN 0.399 nan 8.290 nan 0.000 0.369 710 P HA 0.286 nan 4.420 nan 0.000 0.275 710 P C -1.223 175.964 177.300 -0.188 0.000 1.227 710 P CA 0.164 63.263 63.100 -0.002 0.000 0.781 710 P CB 0.622 32.348 31.700 0.043 0.000 0.906 711 F N 1.492 121.468 119.950 0.043 0.000 2.508 711 F HA 0.247 4.774 4.527 0.001 0.000 0.325 711 F C 1.017 176.835 175.800 0.031 0.000 1.090 711 F CA -0.349 57.669 58.000 0.031 0.000 0.945 711 F CB 1.220 40.233 39.000 0.021 0.000 1.156 711 F HN 0.275 nan 8.300 nan 0.000 0.463 712 D N 1.205 121.718 120.400 0.190 0.000 2.447 712 D HA 0.383 5.023 4.640 0.001 0.000 0.265 712 D C 1.085 177.457 176.300 0.120 0.000 1.250 712 D CA -0.338 53.735 54.000 0.122 0.000 1.046 712 D CB 0.208 41.053 40.800 0.075 0.000 1.095 712 D HN 0.500 nan 8.370 nan 0.000 0.555 713 A N -0.899 121.969 122.820 0.080 0.000 1.972 713 A HA -0.214 4.106 4.320 0.001 0.000 0.219 713 A C 1.944 179.565 177.584 0.063 0.000 1.169 713 A CA 1.468 53.542 52.037 0.062 0.000 0.635 713 A CB -0.858 18.169 19.000 0.046 0.000 0.810 713 A HN 0.611 nan 8.150 nan 0.000 0.446 714 Q N -1.658 118.181 119.800 0.066 0.000 2.403 714 Q HA 0.302 4.642 4.340 0.001 0.000 0.203 714 Q C 1.084 177.134 176.000 0.083 0.000 0.932 714 Q CA 0.390 56.230 55.803 0.061 0.000 0.945 714 Q CB 0.170 28.935 28.738 0.044 0.000 1.045 714 Q HN 0.854 nan 8.270 nan 0.000 0.511 715 G N 1.064 109.938 108.800 0.124 0.000 2.157 715 G HA2 -0.215 3.746 3.960 0.001 0.000 0.248 715 G HA3 -0.215 3.746 3.960 0.001 0.000 0.248 715 G C -0.260 174.806 174.900 0.277 0.000 0.979 715 G CA -0.327 44.885 45.100 0.187 0.000 0.650 715 G HN 0.271 nan 8.290 nan 0.000 0.529 716 N N 0.408 119.216 118.700 0.180 0.000 2.497 716 N HA 0.271 5.012 4.740 0.001 0.000 0.271 716 N C 0.327 175.870 175.510 0.056 0.000 1.142 716 N CA -0.192 52.926 53.050 0.113 0.000 0.965 716 N CB 1.442 39.958 38.487 0.047 0.000 1.077 716 N HN 0.338 nan 8.380 nan 0.000 0.462 717 L N 3.428 124.618 121.223 -0.055 0.000 2.361 717 L HA 0.224 4.564 4.340 0.001 0.000 0.278 717 L C -0.262 176.464 176.870 -0.241 0.000 1.113 717 L CA -0.293 54.310 54.840 -0.395 0.000 0.849 717 L CB 0.293 42.142 42.059 -0.349 0.000 1.155 717 L HN 0.289 nan 8.230 nan 0.000 0.452 718 L N 4.097 125.167 121.223 -0.255 0.000 2.360 718 L HA 0.464 4.804 4.340 0.001 0.000 0.271 718 L C 1.100 177.906 176.870 -0.106 0.000 1.057 718 L CA -0.365 54.400 54.840 -0.126 0.000 0.803 718 L CB 1.325 43.340 42.059 -0.073 0.000 1.207 718 L HN 0.833 nan 8.230 nan 0.000 0.445 719 G N 1.400 110.170 108.800 -0.049 0.000 2.338 719 G HA2 -0.319 3.642 3.960 0.001 0.000 0.296 719 G HA3 -0.319 3.642 3.960 0.001 0.000 0.296 719 G C 0.337 175.242 174.900 0.008 0.000 1.040 719 G CA 0.667 45.767 45.100 0.001 0.000 1.004 719 G HN 1.008 nan 8.290 nan 0.000 0.509 720 N N -0.753 117.913 118.700 -0.056 0.000 2.276 720 N HA 0.198 4.938 4.740 0.001 0.000 0.212 720 N C 0.731 176.176 175.510 -0.108 0.000 1.127 720 N CA 0.252 53.234 53.050 -0.113 0.000 0.834 720 N CB 0.421 38.822 38.487 -0.144 0.000 1.014 720 N HN 0.565 nan 8.380 nan 0.000 0.491 721 T N -3.612 110.920 114.554 -0.037 0.000 2.864 721 T HA 0.321 4.672 4.350 0.001 0.000 0.289 721 T C 0.708 175.430 174.700 0.037 0.000 1.082 721 T CA -0.935 61.146 62.100 -0.031 0.000 1.009 721 T CB 1.307 70.156 68.868 -0.032 0.000 1.234 721 T HN -0.038 nan 8.240 nan 0.000 0.526 722 L N 0.727 121.964 121.223 0.023 0.000 2.622 722 L HA 0.015 4.356 4.340 0.001 0.000 0.233 722 L C 2.376 179.266 176.870 0.034 0.000 1.156 722 L CA 0.309 55.178 54.840 0.048 0.000 0.866 722 L CB -0.546 41.520 42.059 0.011 0.000 0.980 722 L HN 0.624 nan 8.230 nan 0.000 0.448 723 M N -0.723 118.891 119.600 0.023 0.000 2.229 723 M HA -0.151 4.329 4.480 0.001 0.000 0.264 723 M C 1.192 177.511 176.300 0.032 0.000 1.063 723 M CA 1.700 57.009 55.300 0.015 0.000 1.114 723 M CB -0.428 32.174 32.600 0.002 0.000 1.387 723 M HN 0.295 nan 8.290 nan 0.000 0.420 724 D N -2.516 117.917 120.400 0.055 0.000 2.434 724 D HA 0.024 4.664 4.640 0.001 0.000 0.288 724 D C 0.040 176.406 176.300 0.110 0.000 1.083 724 D CA -0.046 53.994 54.000 0.068 0.000 0.903 724 D CB 0.225 41.053 40.800 0.045 0.000 1.476 724 D HN 0.162 nan 8.370 nan 0.000 0.502 725 Y N 2.340 122.654 120.300 0.024 0.000 2.713 725 Y HA 0.060 4.611 4.550 0.001 0.000 0.341 725 Y C -0.215 175.740 175.900 0.092 0.000 1.167 725 Y CA -0.628 57.500 58.100 0.047 0.000 1.503 725 Y CB -0.332 38.123 38.460 -0.008 0.000 1.199 725 Y HN -0.234 nan 8.280 nan 0.000 0.525 726 F N 7.310 126.966 119.950 -0.491 0.000 2.578 726 F HA 0.316 4.843 4.527 0.001 0.000 0.381 726 F C -0.992 174.638 175.800 -0.283 0.000 1.069 726 F CA 0.001 57.808 58.000 -0.322 0.000 1.231 726 F CB 0.106 38.947 39.000 -0.265 0.000 1.086 726 F HN 0.409 nan 8.300 nan 0.000 0.564 727 L N 8.671 129.367 121.223 -0.877 0.000 2.541 727 L HA 0.319 4.659 4.340 0.001 0.000 0.266 727 L C -2.248 174.128 176.870 -0.823 0.000 0.966 727 L CA -1.952 52.509 54.840 -0.632 0.000 0.871 727 L CB 2.207 44.117 42.059 -0.248 0.000 1.232 727 L HN 0.500 nan 8.230 nan 0.000 0.408 728 P HA 0.126 nan 4.420 nan 0.000 0.269 728 P C -0.347 176.812 177.300 -0.236 0.000 1.209 728 P CA -0.052 62.789 63.100 -0.433 0.000 0.776 728 P CB 1.194 32.817 31.700 -0.130 0.000 0.876 729 T N -2.107 112.347 114.554 -0.167 0.000 2.910 729 T HA 0.511 4.861 4.350 0.001 0.000 0.279 729 T C 1.446 176.084 174.700 -0.103 0.000 0.989 729 T CA -0.136 61.895 62.100 -0.115 0.000 0.968 729 T CB 0.702 69.518 68.868 -0.087 0.000 1.135 729 T HN 0.309 nan 8.240 nan 0.000 0.562 730 A N 0.110 122.880 122.820 -0.084 0.000 2.084 730 A HA 0.014 4.335 4.320 0.001 0.000 0.221 730 A C 2.229 179.751 177.584 -0.104 0.000 1.161 730 A CA 1.735 53.719 52.037 -0.089 0.000 0.653 730 A CB -1.263 17.697 19.000 -0.066 0.000 0.802 730 A HN 0.708 nan 8.150 nan 0.000 0.457 731 V N -0.638 119.225 119.914 -0.085 0.000 2.488 731 V HA -0.133 3.987 4.120 0.001 0.000 0.246 731 V C 2.278 178.317 176.094 -0.091 0.000 1.046 731 V CA 2.069 64.324 62.300 -0.075 0.000 1.053 731 V CB -0.525 31.272 31.823 -0.043 0.000 0.679 731 V HN 0.533 nan 8.190 nan 0.000 0.458 732 E N -0.274 119.871 120.200 -0.092 0.000 2.299 732 E HA -0.004 4.347 4.350 0.001 0.000 0.193 732 E C 0.902 177.281 176.600 -0.369 0.000 0.998 732 E CA 0.276 56.616 56.400 -0.100 0.000 0.851 732 E CB -0.167 29.582 29.700 0.082 0.000 0.795 732 E HN 0.470 nan 8.360 nan 0.000 0.492 733 T N 4.260 118.599 114.554 -0.358 0.000 2.752 733 T HA 0.177 4.528 4.350 0.001 0.000 0.295 733 T C -2.187 172.151 174.700 -0.602 0.000 0.923 733 T CA -1.252 60.549 62.100 -0.497 0.000 1.112 733 T CB 0.747 69.459 68.868 -0.261 0.000 0.884 733 T HN 0.030 nan 8.240 nan 0.000 0.525 734 P HA 0.049 nan 4.420 nan 0.000 0.274 734 P C -0.286 176.364 177.300 -1.083 0.000 1.246 734 P CA -0.570 62.045 63.100 -0.807 0.000 0.795 734 P CB 0.573 31.851 31.700 -0.703 0.000 1.006 735 H N 1.283 119.948 119.070 -0.675 0.000 2.767 735 H HA 0.084 4.640 4.556 0.001 0.000 0.316 735 H C -0.784 174.261 175.328 -0.471 0.000 1.059 735 H CA -0.108 55.624 56.048 -0.527 0.000 1.461 735 H CB 0.170 29.787 29.762 -0.241 0.000 1.475 735 H HN 0.366 nan 8.280 nan 0.000 0.531 736 W N 4.390 125.354 121.300 -0.561 0.000 2.376 736 W HA 0.305 4.966 4.660 0.001 0.000 0.322 736 W C 0.046 176.347 176.519 -0.364 0.000 1.160 736 W CA -0.826 56.322 57.345 -0.329 0.000 1.218 736 W CB 0.931 30.245 29.460 -0.242 0.000 1.205 736 W HN 0.521 nan 8.180 nan 0.000 0.559 737 E N 1.647 121.934 120.200 0.145 0.000 2.145 737 E HA 0.321 4.671 4.350 0.001 0.000 0.270 737 E C -0.262 176.226 176.600 -0.185 0.000 0.906 737 E CA -0.560 55.847 56.400 0.011 0.000 0.761 737 E CB 1.609 31.379 29.700 0.117 0.000 1.116 737 E HN 0.374 nan 8.360 nan 0.000 0.408 738 T N 0.068 114.516 114.554 -0.177 0.000 2.912 738 T HA 0.596 4.946 4.350 0.001 0.000 0.288 738 T C -0.562 174.005 174.700 -0.222 0.000 1.030 738 T CA -0.838 61.143 62.100 -0.199 0.000 1.020 738 T CB 2.218 71.046 68.868 -0.065 0.000 1.056 738 T HN 0.276 nan 8.240 nan 0.000 0.480 739 D N -0.672 119.637 120.400 -0.152 0.000 2.643 739 D HA 0.465 5.105 4.640 0.001 0.000 0.283 739 D C -1.376 174.972 176.300 0.081 0.000 1.242 739 D CA -0.154 53.829 54.000 -0.029 0.000 0.863 739 D CB 2.075 42.883 40.800 0.012 0.000 1.382 739 D HN 0.995 nan 8.370 nan 0.000 0.444 740 H N -2.522 116.540 119.070 -0.014 0.000 2.950 740 H HA 0.565 5.121 4.556 0.001 0.000 0.307 740 H C -1.551 173.750 175.328 -0.045 0.000 1.403 740 H CA -0.672 55.342 56.048 -0.057 0.000 1.145 740 H CB 1.058 30.772 29.762 -0.079 0.000 1.844 740 H HN 0.424 nan 8.280 nan 0.000 0.515 741 T N -1.067 113.483 114.554 -0.007 0.000 2.883 741 T HA 0.563 4.913 4.350 0.001 0.000 0.296 741 T C -0.880 173.853 174.700 0.056 0.000 1.117 741 T CA -0.826 61.263 62.100 -0.019 0.000 1.006 741 T CB 1.775 70.641 68.868 -0.004 0.000 1.191 741 T HN 0.417 nan 8.240 nan 0.000 0.508 742 V N 1.936 121.883 119.914 0.055 0.000 2.305 742 V HA 0.479 4.599 4.120 0.001 0.000 0.275 742 V C -0.254 175.847 176.094 0.012 0.000 1.020 742 V CA -0.616 61.702 62.300 0.029 0.000 0.811 742 V CB 0.879 32.729 31.823 0.046 0.000 1.031 742 V HN 1.127 nan 8.190 nan 0.000 0.439 743 T N 6.395 120.952 114.554 0.005 0.000 3.053 743 T HA 0.361 4.711 4.350 0.001 0.000 0.363 743 T C -2.602 172.088 174.700 -0.016 0.000 1.239 743 T CA -1.296 60.816 62.100 0.020 0.000 1.071 743 T CB 1.267 70.202 68.868 0.112 0.000 1.089 743 T HN 0.331 nan 8.240 nan 0.000 0.527 744 P HA 0.131 nan 4.420 nan 0.000 0.269 744 P C -0.084 177.180 177.300 -0.060 0.000 1.215 744 P CA -0.305 62.760 63.100 -0.059 0.000 0.780 744 P CB 0.509 32.181 31.700 -0.047 0.000 0.898 745 S N 2.906 118.548 115.700 -0.096 0.000 2.448 745 S HA 0.232 4.703 4.470 0.001 0.000 0.279 745 S C -1.543 172.978 174.600 -0.132 0.000 1.195 745 S CA -1.458 56.660 58.200 -0.136 0.000 1.051 745 S CB -0.257 62.795 63.200 -0.246 0.000 0.948 745 S HN 0.216 nan 8.310 nan 0.000 0.493 746 P HA -0.144 nan 4.420 nan 0.000 0.215 746 P C 0.785 178.118 177.300 0.056 0.000 1.153 746 P CA 1.434 64.548 63.100 0.024 0.000 0.853 746 P CB -0.083 31.670 31.700 0.087 0.000 0.788 747 H N -3.323 115.837 119.070 0.150 0.000 2.529 747 H HA 0.031 4.587 4.556 0.001 0.000 0.277 747 H C 0.677 176.099 175.328 0.158 0.000 0.999 747 H CA 0.200 56.340 56.048 0.152 0.000 1.256 747 H CB -1.591 28.274 29.762 0.171 0.000 1.402 747 H HN 0.212 nan 8.280 nan 0.000 0.566 748 H N 1.443 120.412 119.070 -0.169 0.000 2.646 748 H HA 0.126 4.682 4.556 0.001 0.000 0.325 748 H C -1.500 173.783 175.328 -0.075 0.000 1.075 748 H CA -2.117 53.884 56.048 -0.078 0.000 1.421 748 H CB 1.176 30.834 29.762 -0.172 0.000 1.461 748 H HN 0.026 nan 8.280 nan 0.000 0.525 749 P HA -0.188 nan 4.420 nan 0.000 0.218 749 P C 0.399 177.703 177.300 0.006 0.000 1.146 749 P CA 1.715 64.729 63.100 -0.143 0.000 0.820 749 P CB 0.087 31.575 31.700 -0.354 0.000 0.778 750 I N -7.771 112.940 120.570 0.234 0.000 4.102 750 I HA 0.510 4.681 4.170 0.001 0.000 0.325 750 I C 0.945 177.074 176.117 0.019 0.000 1.471 750 I CA 0.030 61.386 61.300 0.095 0.000 1.133 750 I CB -0.125 37.897 38.000 0.037 0.000 1.184 750 I HN -0.037 nan 8.210 nan 0.000 0.451 751 G N 2.030 110.859 108.800 0.048 0.000 2.187 751 G HA2 -0.268 3.692 3.960 0.001 0.000 0.261 751 G HA3 -0.268 3.692 3.960 0.001 0.000 0.261 751 G C 0.396 175.130 174.900 -0.277 0.000 1.000 751 G CA 0.286 45.331 45.100 -0.093 0.000 0.718 751 G HN 0.942 nan 8.290 nan 0.000 0.519 752 A N -0.338 122.115 122.820 -0.611 0.000 2.331 752 A HA 0.714 5.034 4.320 0.001 0.000 0.283 752 A C 0.469 177.702 177.584 -0.585 0.000 1.142 752 A CA -0.000 51.691 52.037 -0.576 0.000 0.812 752 A CB 0.659 19.362 19.000 -0.494 0.000 1.074 752 A HN 0.401 nan 8.150 nan 0.000 0.497 753 K N 1.449 121.679 120.400 -0.285 0.000 2.208 753 K HA 0.542 4.863 4.320 0.001 0.000 0.247 753 K C 0.590 177.125 176.600 -0.109 0.000 0.953 753 K CA -0.470 55.723 56.287 -0.157 0.000 0.837 753 K CB 1.928 34.373 32.500 -0.091 0.000 1.131 753 K HN 0.815 nan 8.250 nan 0.000 0.431 754 G N -0.123 108.647 108.800 -0.050 0.000 2.667 754 G HA2 0.224 4.184 3.960 0.001 0.000 0.250 754 G HA3 0.224 4.184 3.960 0.001 0.000 0.250 754 G C 0.254 175.137 174.900 -0.029 0.000 1.212 754 G CA -0.276 44.809 45.100 -0.026 0.000 0.874 754 G HN 0.394 nan 8.290 nan 0.000 0.561 755 V N -0.483 119.423 119.914 -0.013 0.000 3.113 755 V HA 0.249 4.370 4.120 0.001 0.000 0.252 755 V C 2.465 178.573 176.094 0.024 0.000 1.681 755 V CA 1.560 63.858 62.300 -0.004 0.000 1.042 755 V CB -0.481 31.320 31.823 -0.037 0.000 0.922 755 V HN 0.984 nan 8.190 nan 0.000 0.407 756 A N 0.391 123.224 122.820 0.021 0.000 1.940 756 A HA -0.285 4.035 4.320 0.001 0.000 0.221 756 A C 1.721 179.339 177.584 0.058 0.000 1.190 756 A CA 2.568 54.627 52.037 0.037 0.000 0.647 756 A CB -0.446 18.579 19.000 0.041 0.000 0.821 756 A HN 0.737 nan 8.150 nan 0.000 0.457 757 E N -0.540 119.689 120.200 0.048 0.000 2.442 757 E HA 0.020 4.371 4.350 0.001 0.000 0.195 757 E C 1.993 178.640 176.600 0.078 0.000 1.030 757 E CA 0.467 56.895 56.400 0.048 0.000 0.869 757 E CB 0.021 29.717 29.700 -0.006 0.000 0.857 757 E HN 0.572 nan 8.360 nan 0.000 0.505 758 S N 1.720 117.486 115.700 0.109 0.000 2.353 758 S HA -0.108 4.362 4.470 0.001 0.000 0.222 758 S C -0.653 174.038 174.600 0.152 0.000 1.035 758 S CA 1.369 59.683 58.200 0.191 0.000 1.025 758 S CB -0.943 62.437 63.200 0.300 0.000 0.902 758 S HN 0.304 nan 8.310 nan 0.000 0.440 759 P HA -0.174 nan 4.420 nan 0.000 0.216 759 P C 1.068 178.412 177.300 0.072 0.000 1.150 759 P CA 1.548 64.760 63.100 0.187 0.000 0.837 759 P CB -0.108 31.584 31.700 -0.012 0.000 0.786 760 H N -0.066 118.980 119.070 -0.039 0.000 2.333 760 H HA -0.043 4.514 4.556 0.001 0.000 0.302 760 H C 1.892 177.160 175.328 -0.099 0.000 1.075 760 H CA 1.525 57.526 56.048 -0.078 0.000 1.348 760 H CB -0.473 29.238 29.762 -0.085 0.000 1.393 760 H HN -0.237 nan 8.280 nan 0.000 0.509 761 V N 0.043 119.971 119.914 0.024 0.000 2.295 761 V HA -0.197 3.924 4.120 0.001 0.000 0.246 761 V C 2.615 178.496 176.094 -0.355 0.000 1.049 761 V CA 1.920 64.158 62.300 -0.103 0.000 1.024 761 V CB -1.014 30.734 31.823 -0.126 0.000 0.648 761 V HN 0.738 nan 8.190 nan 0.000 0.447 762 G N -0.138 108.207 108.800 -0.758 0.000 2.396 762 G HA2 -0.201 3.759 3.960 0.001 0.000 0.214 762 G HA3 -0.201 3.759 3.960 0.001 0.000 0.214 762 G C 1.866 176.683 174.900 -0.139 0.000 1.166 762 G CA 1.087 45.550 45.100 -1.063 0.000 0.793 762 G HN 0.618 nan 8.290 nan 0.000 0.533 763 S N 0.821 116.622 115.700 0.168 0.000 2.382 763 S HA -0.075 4.395 4.470 0.001 0.000 0.228 763 S C 2.317 176.957 174.600 0.067 0.000 1.027 763 S CA 1.076 59.380 58.200 0.174 0.000 0.991 763 S CB -0.416 62.752 63.200 -0.054 0.000 0.823 763 S HN 0.334 nan 8.310 nan 0.000 0.469 764 I N 3.006 123.635 120.570 0.098 0.000 2.099 764 I HA -0.111 4.060 4.170 0.001 0.000 0.239 764 I C -0.385 175.909 176.117 0.296 0.000 1.066 764 I CA 1.531 62.961 61.300 0.216 0.000 1.324 764 I CB -1.356 36.669 38.000 0.042 0.000 1.037 764 I HN 0.312 nan 8.210 nan 0.000 0.401 765 P HA -0.086 nan 4.420 nan 0.000 0.226 765 P C 1.357 178.669 177.300 0.021 0.000 1.153 765 P CA 1.357 64.493 63.100 0.059 0.000 0.777 765 P CB -0.188 31.460 31.700 -0.087 0.000 0.794 766 T N -0.637 113.932 114.554 0.025 0.000 2.857 766 T HA -0.048 4.303 4.350 0.001 0.000 0.266 766 T C 1.446 176.130 174.700 -0.027 0.000 1.048 766 T CA 1.135 63.207 62.100 -0.047 0.000 1.139 766 T CB -0.711 68.096 68.868 -0.101 0.000 0.874 766 T HN -0.027 nan 8.240 nan 0.000 0.455 767 F N 1.947 122.045 119.950 0.247 0.000 2.113 767 F HA -0.047 4.481 4.527 0.001 0.000 0.297 767 F C 2.862 178.729 175.800 0.112 0.000 1.103 767 F CA 0.838 58.969 58.000 0.219 0.000 1.248 767 F CB -1.498 37.643 39.000 0.235 0.000 0.999 767 F HN 0.065 nan 8.300 nan 0.000 0.475 768 T N -0.030 114.731 114.554 0.345 0.000 2.788 768 T HA -0.184 4.166 4.350 0.001 0.000 0.268 768 T C 2.271 176.986 174.700 0.025 0.000 1.044 768 T CA 1.320 63.548 62.100 0.214 0.000 1.139 768 T CB -0.666 68.409 68.868 0.344 0.000 0.867 768 T HN 0.280 nan 8.240 nan 0.000 0.454 769 A N 1.222 124.060 122.820 0.031 0.000 1.972 769 A HA 0.151 4.472 4.320 0.001 0.000 0.219 769 A C 2.577 180.175 177.584 0.022 0.000 1.169 769 A CA 1.795 53.836 52.037 0.007 0.000 0.635 769 A CB -0.900 18.097 19.000 -0.005 0.000 0.810 769 A HN 0.517 nan 8.150 nan 0.000 0.446 770 A N -0.785 122.062 122.820 0.046 0.000 1.898 770 A HA 0.122 4.442 4.320 0.001 0.000 0.214 770 A C 2.205 179.818 177.584 0.048 0.000 1.183 770 A CA 1.485 53.560 52.037 0.063 0.000 0.622 770 A CB -0.731 18.341 19.000 0.121 0.000 0.824 770 A HN 0.323 nan 8.150 nan 0.000 0.444 771 V N -0.353 119.552 119.914 -0.015 0.000 2.307 771 V HA -0.204 3.917 4.120 0.001 0.000 0.245 771 V C 2.573 178.691 176.094 0.041 0.000 1.045 771 V CA 1.980 64.240 62.300 -0.066 0.000 1.024 771 V CB -0.702 30.837 31.823 -0.473 0.000 0.651 771 V HN 0.348 nan 8.190 nan 0.000 0.449 772 V N 0.399 120.284 119.914 -0.050 0.000 2.407 772 V HA -0.289 3.831 4.120 0.001 0.000 0.248 772 V C 2.259 178.415 176.094 0.104 0.000 1.055 772 V CA 2.384 64.686 62.300 0.003 0.000 1.049 772 V CB -0.705 31.099 31.823 -0.032 0.000 0.662 772 V HN 0.640 nan 8.190 nan 0.000 0.455 773 D N 0.159 120.602 120.400 0.072 0.000 2.218 773 D HA -0.128 4.513 4.640 0.001 0.000 0.204 773 D C 2.045 178.385 176.300 0.067 0.000 0.976 773 D CA 1.196 55.234 54.000 0.064 0.000 0.853 773 D CB -0.078 40.744 40.800 0.038 0.000 0.939 773 D HN 0.410 nan 8.370 nan 0.000 0.481 774 A N -0.933 121.943 122.820 0.092 0.000 2.067 774 A HA -0.041 4.279 4.320 0.001 0.000 0.219 774 A C 1.415 178.993 177.584 -0.010 0.000 1.158 774 A CA 0.739 52.776 52.037 -0.000 0.000 0.661 774 A CB -0.562 18.432 19.000 -0.011 0.000 0.801 774 A HN 0.322 nan 8.150 nan 0.000 0.452 775 F N -1.197 118.769 119.950 0.027 0.000 2.695 775 F HA 0.354 4.882 4.527 0.001 0.000 0.303 775 F C 2.286 178.111 175.800 0.041 0.000 1.091 775 F CA -0.015 58.000 58.000 0.024 0.000 1.300 775 F CB -0.071 38.854 39.000 -0.125 0.000 1.071 775 F HN 0.209 nan 8.300 nan 0.000 0.578 776 A N 0.527 123.487 122.820 0.234 0.000 1.948 776 A HA -0.263 4.058 4.320 0.001 0.000 0.220 776 A C 2.068 179.747 177.584 0.157 0.000 1.177 776 A CA 2.215 54.340 52.037 0.145 0.000 0.636 776 A CB -1.155 17.902 19.000 0.095 0.000 0.815 776 A HN 0.569 nan 8.150 nan 0.000 0.449 777 H N -0.209 118.852 119.070 -0.016 0.000 2.559 777 H HA 0.080 4.636 4.556 0.001 0.000 0.273 777 H C 1.094 176.411 175.328 -0.018 0.000 1.000 777 H CA 1.485 57.520 56.048 -0.023 0.000 1.195 777 H CB -1.106 28.633 29.762 -0.037 0.000 1.368 777 H HN 0.547 nan 8.280 nan 0.000 0.592 778 V N -4.055 115.709 119.914 -0.250 0.000 3.276 778 V HA 0.612 4.732 4.120 0.001 0.000 0.319 778 V C 1.446 177.484 176.094 -0.093 0.000 1.427 778 V CA 0.117 62.275 62.300 -0.236 0.000 1.102 778 V CB 0.152 31.802 31.823 -0.290 0.000 1.020 778 V HN 0.596 nan 8.190 nan 0.000 0.456 779 G N 0.223 108.995 108.800 -0.046 0.000 2.176 779 G HA2 -0.217 3.744 3.960 0.001 0.000 0.232 779 G HA3 -0.217 3.744 3.960 0.001 0.000 0.232 779 G C 0.104 174.988 174.900 -0.026 0.000 0.986 779 G CA -0.079 45.010 45.100 -0.018 0.000 0.643 779 G HN 0.799 nan 8.290 nan 0.000 0.522 780 V N 2.302 122.172 119.914 -0.074 0.000 2.529 780 V HA 0.373 4.493 4.120 0.001 0.000 0.292 780 V C 1.871 177.959 176.094 -0.009 0.000 1.028 780 V CA 1.420 63.663 62.300 -0.096 0.000 1.074 780 V CB 1.044 32.750 31.823 -0.194 0.000 0.958 780 V HN 0.719 nan 8.190 nan 0.000 0.481 781 T N 0.850 115.418 114.554 0.023 0.000 3.023 781 T HA 0.156 4.507 4.350 0.001 0.000 0.249 781 T C 0.370 175.147 174.700 0.130 0.000 1.050 781 T CA 0.460 62.601 62.100 0.068 0.000 1.088 781 T CB 0.027 68.943 68.868 0.080 0.000 0.946 781 T HN 0.771 nan 8.240 nan 0.000 0.480 782 H N -0.731 118.335 119.070 -0.008 0.000 3.094 782 H HA 0.620 5.177 4.556 0.001 0.000 0.346 782 H C -2.284 173.042 175.328 -0.004 0.000 1.238 782 H CA -0.941 55.110 56.048 0.005 0.000 1.209 782 H CB 1.107 30.895 29.762 0.044 0.000 1.911 782 H HN 0.172 nan 8.280 nan 0.000 0.540 783 L N 3.724 124.495 121.223 -0.754 0.000 2.409 783 L HA 0.336 4.676 4.340 0.001 0.000 0.272 783 L C -0.678 175.864 176.870 -0.547 0.000 0.980 783 L CA -1.072 53.475 54.840 -0.488 0.000 0.826 783 L CB 1.914 43.766 42.059 -0.344 0.000 1.268 783 L HN 0.668 nan 8.230 nan 0.000 0.407 784 D N 3.064 123.305 120.400 -0.265 0.000 2.399 784 D HA 0.270 4.911 4.640 0.001 0.000 0.241 784 D C 0.177 176.379 176.300 -0.163 0.000 1.133 784 D CA 0.316 54.286 54.000 -0.049 0.000 0.890 784 D CB 1.049 41.931 40.800 0.135 0.000 1.201 784 D HN 0.294 nan 8.370 nan 0.000 0.432 785 M N 2.297 121.738 119.600 -0.264 0.000 2.228 785 M HA 0.257 4.738 4.480 0.001 0.000 0.326 785 M C -2.023 174.114 176.300 -0.272 0.000 1.122 785 M CA -1.364 53.628 55.300 -0.514 0.000 1.161 785 M CB 0.595 32.904 32.600 -0.484 0.000 1.437 785 M HN 0.088 nan 8.290 nan 0.000 0.465 786 P HA 0.191 nan 4.420 nan 0.000 0.279 786 P C -1.346 175.717 177.300 -0.394 0.000 1.252 786 P CA -0.316 62.553 63.100 -0.386 0.000 0.811 786 P CB 0.292 31.838 31.700 -0.256 0.000 1.035 787 H N -0.961 118.013 119.070 -0.161 0.000 2.588 787 H HA 0.232 4.788 4.556 0.001 0.000 0.223 787 H C 0.696 175.930 175.328 -0.156 0.000 1.804 787 H CA -0.406 55.561 56.048 -0.135 0.000 1.269 787 H CB -0.634 29.064 29.762 -0.106 0.000 1.670 787 H HN 0.352 nan 8.280 nan 0.000 0.539 788 T N -2.441 112.076 114.554 -0.061 0.000 2.816 788 T HA 0.097 4.448 4.350 0.001 0.000 0.282 788 T C 1.677 176.398 174.700 0.036 0.000 0.993 788 T CA -0.691 61.364 62.100 -0.074 0.000 0.994 788 T CB 1.504 70.340 68.868 -0.054 0.000 1.025 788 T HN 0.302 nan 8.240 nan 0.000 0.529 789 S N -0.046 115.684 115.700 0.049 0.000 2.370 789 S HA -0.099 4.371 4.470 0.001 0.000 0.226 789 S C 1.513 176.240 174.600 0.212 0.000 1.033 789 S CA 1.272 59.541 58.200 0.114 0.000 1.011 789 S CB -0.873 62.371 63.200 0.073 0.000 0.852 789 S HN 0.748 nan 8.310 nan 0.000 0.457 790 Y N 2.693 123.024 120.300 0.052 0.000 2.070 790 Y HA -0.154 4.396 4.550 0.001 0.000 0.280 790 Y C 2.297 178.305 175.900 0.180 0.000 1.148 790 Y CA 1.571 59.726 58.100 0.092 0.000 1.125 790 Y CB -0.615 37.859 38.460 0.024 0.000 0.975 790 Y HN 0.068 nan 8.280 nan 0.000 0.492 791 R N -0.607 119.827 120.500 -0.111 0.000 2.081 791 R HA -0.121 4.220 4.340 0.001 0.000 0.235 791 R C 2.249 178.519 176.300 -0.051 0.000 1.131 791 R CA 1.644 57.612 56.100 -0.220 0.000 0.960 791 R CB -0.711 29.514 30.300 -0.126 0.000 0.856 791 R HN 0.302 nan 8.270 nan 0.000 0.436 792 V N -0.342 119.613 119.914 0.069 0.000 2.515 792 V HA -0.222 3.899 4.120 0.001 0.000 0.250 792 V C 1.779 178.007 176.094 0.223 0.000 1.058 792 V CA 1.446 63.828 62.300 0.136 0.000 1.064 792 V CB -0.442 31.492 31.823 0.184 0.000 0.675 792 V HN 0.481 nan 8.190 nan 0.000 0.461 793 W N 1.080 122.414 121.300 0.056 0.000 2.388 793 W HA -0.108 4.552 4.660 0.001 0.000 0.294 793 W C 2.361 178.906 176.519 0.044 0.000 1.212 793 W CA 1.269 58.659 57.345 0.075 0.000 1.271 793 W CB -0.027 29.483 29.460 0.082 0.000 1.126 793 W HN -0.025 nan 8.180 nan 0.000 0.535 794 K N 0.179 120.622 120.400 0.071 0.000 2.152 794 K HA -0.121 4.199 4.320 0.001 0.000 0.206 794 K C 2.079 178.570 176.600 -0.183 0.000 1.048 794 K CA 1.625 57.830 56.287 -0.136 0.000 0.933 794 K CB -0.865 31.551 32.500 -0.141 0.000 0.721 794 K HN 0.153 nan 8.250 nan 0.000 0.447 795 S N 1.235 116.888 115.700 -0.079 0.000 2.371 795 S HA 0.030 4.500 4.470 0.001 0.000 0.224 795 S C 2.048 176.779 174.600 0.220 0.000 1.029 795 S CA 0.577 58.782 58.200 0.009 0.000 0.978 795 S CB -0.077 62.992 63.200 -0.218 0.000 0.833 795 S HN 0.180 nan 8.310 nan 0.000 0.466 796 L N 1.438 122.771 121.223 0.182 0.000 2.083 796 L HA -0.121 4.219 4.340 0.001 0.000 0.209 796 L C 2.565 179.351 176.870 -0.141 0.000 1.083 796 L CA 1.257 56.157 54.840 0.101 0.000 0.752 796 L CB -0.422 41.622 42.059 -0.026 0.000 0.899 796 L HN 0.269 nan 8.230 nan 0.000 0.433 797 K N 0.455 120.604 120.400 -0.418 0.000 2.025 797 K HA -0.245 4.075 4.320 0.001 0.000 0.207 797 K C 2.083 178.505 176.600 -0.297 0.000 1.049 797 K CA 1.652 57.640 56.287 -0.498 0.000 0.933 797 K CB -0.026 31.963 32.500 -0.851 0.000 0.714 797 K HN 0.258 nan 8.250 nan 0.000 0.438 798 E N -0.437 119.590 120.200 -0.290 0.000 2.150 798 E HA -0.179 4.171 4.350 0.001 0.000 0.193 798 E C 0.786 177.103 176.600 -0.472 0.000 0.985 798 E CA 0.905 57.084 56.400 -0.369 0.000 0.814 798 E CB 0.149 29.584 29.700 -0.443 0.000 0.752 798 E HN 0.452 nan 8.360 nan 0.000 0.466 799 H N -0.005 119.045 119.070 -0.034 0.000 2.505 799 H HA 0.177 4.734 4.556 0.001 0.000 0.289 799 H C -0.307 174.998 175.328 -0.038 0.000 1.052 799 H CA 0.137 56.182 56.048 -0.004 0.000 1.156 799 H CB -0.088 29.730 29.762 0.094 0.000 1.507 799 H HN 0.225 nan 8.280 nan 0.000 0.548 800 N N 0.930 119.614 118.700 -0.027 0.000 2.714 800 N HA -0.188 4.553 4.740 0.001 0.000 0.252 800 N C 0.340 175.832 175.510 -0.030 0.000 1.014 800 N CA 0.220 53.244 53.050 -0.043 0.000 0.735 800 N CB -1.038 37.427 38.487 -0.037 0.000 0.924 800 N HN 0.390 nan 8.380 nan 0.000 0.540 801 L N -1.364 119.841 121.223 -0.030 0.000 2.858 801 L HA 0.358 4.699 4.340 0.001 0.000 0.251 801 L C 0.939 177.780 176.870 -0.047 0.000 1.149 801 L CA -0.251 54.562 54.840 -0.044 0.000 0.955 801 L CB 0.277 42.289 42.059 -0.078 0.000 1.289 801 L HN 0.344 nan 8.230 nan 0.000 0.542 802 A N 2.756 125.533 122.820 -0.072 0.000 2.524 802 A HA 0.348 4.668 4.320 0.001 0.000 0.250 802 A C 0.892 178.492 177.584 0.027 0.000 1.078 802 A CA -0.343 51.663 52.037 -0.052 0.000 0.761 802 A CB -0.109 18.790 19.000 -0.168 0.000 1.012 802 A HN 0.298 nan 8.150 nan 0.000 0.500 803 L N 0.000 121.269 121.223 0.076 0.000 2.949 803 L HA 0.000 4.340 4.340 0.001 0.000 0.249 803 L CA 0.000 54.885 54.840 0.075 0.000 0.813 803 L CB 0.000 42.123 42.059 0.107 0.000 0.961 803 L HN 0.000 nan 8.230 nan 0.000 0.502