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 3c4m_1_B DATA FIRST_RESID -340 DATA SEQUENCE EGKLVIWING DKGYNGLAEV GKKFEKDTGI KVTVEHPDKL EEKFPQVAAT DATA SEQUENCE GDGPDIIFWA HDRFGGYAQS GLLAEITPDK AFQDKLYPFT WDAVRYNGKL DATA SEQUENCE IAYPIAVEAL SLIYNKDLLP NPPKTWEEIP ALDKELKAKG KSALMFNLQE DATA SEQUENCE PYFTWPLIAA DGGYAFKYEN GKYDIKDVGV DNAGAKAGLT FLVDLIKNKH DATA SEQUENCE MNADTDYSIA EAAFNKGETA MTINGPWAWS NIDTSKVNYG VTVLPTFKGQ DATA SEQUENCE PSKPFVGVLS AGINAASPNK ELAKEFLENY LLTDEGLEAV NKDKPLGAVA DATA SEQUENCE LKSYEEELAK DPRIAATMEN AQKGEIMPNI PQMSAFWYAV RTAVINAASG DATA SEQUENCE RQTVDEALKD AQTNAAAEFD DVMTKEEQIF LLHRAQAQcE KRLKEVLQXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXGRPcL DATA SEQUENCE PEWDHILcWP LGAPGEVVAV PcPDYIYDFN HKGHAYRRcD RNGSWELVPG DATA SEQUENCE HNRTWANYSE cVKFLT 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 -340 E HA 0.000 nan 4.350 nan 0.000 0.291 -340 E C 0.000 176.599 176.600 -0.002 0.000 1.382 -340 E CA 0.000 56.396 56.400 -0.006 0.000 0.976 -340 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 -339 G N 2.655 111.458 108.800 0.006 0.000 2.159 -339 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.256 -339 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.256 -339 G C 0.134 175.041 174.900 0.011 0.000 0.977 -339 G CA 0.660 45.765 45.100 0.009 0.000 0.652 -339 G HN 0.264 nan 8.290 nan 0.000 0.531 -338 K N -0.684 119.722 120.400 0.010 0.000 2.502 -338 K HA 0.692 5.012 4.320 -0.000 0.000 0.257 -338 K C -0.682 175.915 176.600 -0.006 0.000 0.938 -338 K CA -0.909 55.383 56.287 0.008 0.000 0.819 -338 K CB 2.226 34.724 32.500 -0.002 0.000 1.333 -338 K HN 0.063 nan 8.250 nan 0.000 0.434 -337 L N 2.402 123.612 121.223 -0.021 0.000 2.322 -337 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 -337 L C -0.747 176.072 176.870 -0.085 0.000 1.014 -337 L CA -1.170 53.621 54.840 -0.082 0.000 0.815 -337 L CB 1.844 43.794 42.059 -0.183 0.000 1.247 -337 L HN 0.284 nan 8.230 nan 0.000 0.421 -336 V N 4.905 124.770 119.914 -0.082 0.000 2.459 -336 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 -336 V C -0.016 176.040 176.094 -0.064 0.000 1.029 -336 V CA -0.418 61.853 62.300 -0.047 0.000 0.874 -336 V CB 2.115 33.921 31.823 -0.029 0.000 0.985 -336 V HN 0.511 nan 8.190 nan 0.000 0.438 -335 I N 3.210 123.801 120.570 0.036 0.000 2.509 -335 I HA 0.476 4.646 4.170 -0.000 0.000 0.293 -335 I C -1.228 175.116 176.117 0.379 0.000 1.020 -335 I CA -0.412 60.966 61.300 0.131 0.000 1.088 -335 I CB 2.292 40.364 38.000 0.120 0.000 1.267 -335 I HN 0.509 nan 8.210 nan 0.000 0.430 -334 W N 6.991 128.349 121.300 0.097 0.000 2.475 -334 W HA 0.694 5.353 4.660 -0.001 0.000 0.317 -334 W C -0.492 176.134 176.519 0.178 0.000 1.046 -334 W CA -0.976 56.417 57.345 0.079 0.000 1.215 -334 W CB 1.356 30.835 29.460 0.030 0.000 1.335 -334 W HN 0.184 nan 8.180 nan 0.000 0.471 -333 I N 3.142 123.889 120.570 0.294 0.000 2.894 -333 I HA 0.314 4.483 4.170 -0.000 0.000 0.302 -333 I C -0.219 175.985 176.117 0.145 0.000 1.188 -333 I CA -0.916 60.511 61.300 0.211 0.000 1.014 -333 I CB 1.739 39.717 38.000 -0.036 0.000 1.242 -333 I HN 0.201 nan 8.210 nan 0.000 0.430 -332 N N 3.308 122.082 118.700 0.123 0.000 2.454 -332 N HA 0.132 4.871 4.740 -0.000 0.000 0.254 -332 N C 0.998 176.504 175.510 -0.006 0.000 1.228 -332 N CA 1.059 54.137 53.050 0.047 0.000 0.900 -332 N CB 1.462 39.866 38.487 -0.137 0.000 1.089 -332 N HN 0.759 nan 8.380 nan 0.000 0.449 -331 G N 1.198 109.982 108.800 -0.027 0.000 2.625 -331 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.214 -331 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.214 -331 G C 0.731 175.629 174.900 -0.004 0.000 1.132 -331 G CA 0.726 45.791 45.100 -0.059 0.000 0.782 -331 G HN 0.799 nan 8.290 nan 0.000 0.538 -330 D N -0.372 119.939 120.400 -0.148 0.000 2.349 -330 D HA 0.041 4.680 4.640 -0.000 0.000 0.215 -330 D C 0.869 177.076 176.300 -0.154 0.000 1.016 -330 D CA 0.237 54.112 54.000 -0.209 0.000 0.870 -330 D CB 0.185 40.686 40.800 -0.498 0.000 0.917 -330 D HN -0.006 nan 8.370 nan 0.000 0.524 -329 K N 0.344 120.665 120.400 -0.131 0.000 2.109 -329 K HA 0.499 4.819 4.320 -0.000 0.000 0.243 -329 K C 0.902 177.451 176.600 -0.085 0.000 1.006 -329 K CA -0.659 55.571 56.287 -0.095 0.000 0.917 -329 K CB 0.839 33.262 32.500 -0.128 0.000 1.081 -329 K HN 0.032 nan 8.250 nan 0.000 0.468 -328 G N 1.936 110.678 108.800 -0.097 0.000 3.090 -328 G HA2 0.033 3.993 3.960 -0.000 0.000 0.259 -328 G HA3 0.033 3.993 3.960 -0.000 0.000 0.259 -328 G C 0.823 175.629 174.900 -0.156 0.000 0.797 -328 G CA -0.105 44.900 45.100 -0.160 0.000 2.032 -328 G HN 0.623 nan 8.290 nan 0.000 0.614 -327 Y N -0.401 119.844 120.300 -0.092 0.000 2.293 -327 Y HA -0.116 4.433 4.550 -0.000 0.000 0.291 -327 Y C 2.100 177.987 175.900 -0.023 0.000 1.137 -327 Y CA 1.169 59.227 58.100 -0.070 0.000 1.202 -327 Y CB -0.604 37.833 38.460 -0.038 0.000 0.990 -327 Y HN 0.370 nan 8.280 nan 0.000 0.537 -326 N N 0.729 119.298 118.700 -0.219 0.000 2.120 -326 N HA -0.094 4.646 4.740 -0.000 0.000 0.188 -326 N C 2.222 177.720 175.510 -0.019 0.000 1.024 -326 N CA 1.126 54.136 53.050 -0.067 0.000 0.852 -326 N CB -0.522 37.868 38.487 -0.162 0.000 1.003 -326 N HN 0.559 nan 8.380 nan 0.000 0.424 -325 G N 1.270 110.037 108.800 -0.055 0.000 2.440 -325 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.218 -325 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.218 -325 G C 1.431 176.347 174.900 0.026 0.000 1.154 -325 G CA 0.464 45.558 45.100 -0.011 0.000 0.767 -325 G HN 0.150 nan 8.290 nan 0.000 0.552 -324 L N 1.400 122.636 121.223 0.023 0.000 2.083 -324 L HA 0.145 4.485 4.340 -0.000 0.000 0.209 -324 L C 3.028 179.975 176.870 0.128 0.000 1.083 -324 L CA 1.973 56.850 54.840 0.063 0.000 0.752 -324 L CB -0.669 41.381 42.059 -0.015 0.000 0.899 -324 L HN 0.242 nan 8.230 nan 0.000 0.433 -323 A N -1.178 121.707 122.820 0.109 0.000 2.019 -323 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 -323 A C 2.209 179.858 177.584 0.109 0.000 1.164 -323 A CA 1.544 53.648 52.037 0.111 0.000 0.644 -323 A CB -0.541 18.528 19.000 0.115 0.000 0.805 -323 A HN 0.500 nan 8.150 nan 0.000 0.449 -322 E N -0.387 119.869 120.200 0.094 0.000 2.150 -322 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 -322 E C 1.743 178.413 176.600 0.117 0.000 0.985 -322 E CA 1.318 57.770 56.400 0.086 0.000 0.814 -322 E CB -0.103 29.633 29.700 0.059 0.000 0.752 -322 E HN 0.361 nan 8.360 nan 0.000 0.466 -321 V N -0.751 119.254 119.914 0.152 0.000 2.649 -321 V HA 0.028 4.148 4.120 -0.000 0.000 0.248 -321 V C 2.198 178.497 176.094 0.341 0.000 1.054 -321 V CA 1.355 63.776 62.300 0.202 0.000 1.073 -321 V CB -0.454 31.456 31.823 0.145 0.000 0.699 -321 V HN 0.388 nan 8.190 nan 0.000 0.463 -320 G N 0.117 109.117 108.800 0.333 0.000 2.448 -320 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 -320 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 -320 G C 1.654 176.676 174.900 0.204 0.000 1.127 -320 G CA 0.535 45.790 45.100 0.258 0.000 0.766 -320 G HN 0.457 nan 8.290 nan 0.000 0.552 -319 K N 0.289 120.782 120.400 0.155 0.000 2.116 -319 K HA 0.044 4.364 4.320 -0.000 0.000 0.203 -319 K C 2.467 179.127 176.600 0.100 0.000 1.052 -319 K CA 0.692 57.042 56.287 0.105 0.000 0.952 -319 K CB -0.068 32.481 32.500 0.081 0.000 0.729 -319 K HN 0.199 nan 8.250 nan 0.000 0.446 -318 K N 0.320 120.799 120.400 0.133 0.000 2.097 -318 K HA -0.127 4.192 4.320 -0.000 0.000 0.206 -318 K C 1.953 178.603 176.600 0.084 0.000 1.049 -318 K CA 1.164 57.534 56.287 0.138 0.000 0.933 -318 K CB -0.216 32.407 32.500 0.206 0.000 0.717 -318 K HN 0.010 nan 8.250 nan 0.000 0.442 -317 F N 2.497 122.338 119.950 -0.182 0.000 2.102 -317 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 -317 F C 2.297 177.975 175.800 -0.203 0.000 1.105 -317 F CA 1.596 59.318 58.000 -0.463 0.000 1.239 -317 F CB -0.134 38.694 39.000 -0.288 0.000 0.991 -317 F HN 0.061 nan 8.300 nan 0.000 0.474 -316 E N 0.173 120.336 120.200 -0.062 0.000 2.110 -316 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 -316 E C 2.259 178.791 176.600 -0.114 0.000 0.988 -316 E CA 1.172 57.506 56.400 -0.110 0.000 0.804 -316 E CB -0.233 29.465 29.700 -0.005 0.000 0.745 -316 E HN 0.396 nan 8.360 nan 0.000 0.458 -315 K N -0.041 120.325 120.400 -0.057 0.000 2.280 -315 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 -315 K C 0.714 177.286 176.600 -0.047 0.000 1.047 -315 K CA 1.646 57.916 56.287 -0.029 0.000 0.942 -315 K CB 0.238 32.749 32.500 0.019 0.000 0.739 -315 K HN 0.098 nan 8.250 nan 0.000 0.457 -314 D N -1.479 118.861 120.400 -0.100 0.000 2.423 -314 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 -314 D C 1.487 177.687 176.300 -0.167 0.000 1.060 -314 D CA 1.103 55.058 54.000 -0.075 0.000 0.872 -314 D CB 0.767 41.599 40.800 0.053 0.000 1.012 -314 D HN 0.357 nan 8.370 nan 0.000 0.503 -313 T N -4.036 110.318 114.554 -0.333 0.000 2.964 -313 T HA 0.366 4.716 4.350 -0.000 0.000 0.249 -313 T C 1.784 176.338 174.700 -0.243 0.000 1.000 -313 T CA 0.808 62.687 62.100 -0.369 0.000 0.992 -313 T CB 1.019 69.431 68.868 -0.759 0.000 1.087 -313 T HN 0.121 nan 8.240 nan 0.000 0.489 -312 G N 1.867 110.542 108.800 -0.210 0.000 2.234 -312 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 -312 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 -312 G C 0.073 174.903 174.900 -0.116 0.000 0.987 -312 G CA 0.085 45.110 45.100 -0.126 0.000 0.625 -312 G HN 0.580 nan 8.290 nan 0.000 0.532 -311 I N 1.969 122.432 120.570 -0.179 0.000 2.471 -311 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 -311 I C 0.939 177.048 176.117 -0.014 0.000 1.079 -311 I CA -0.447 60.803 61.300 -0.084 0.000 1.398 -311 I CB 0.867 38.837 38.000 -0.050 0.000 1.403 -311 I HN 0.500 nan 8.210 nan 0.000 0.530 -310 K N 6.051 126.458 120.400 0.011 0.000 2.218 -310 K HA 0.509 4.828 4.320 -0.000 0.000 0.276 -310 K C -1.213 175.406 176.600 0.031 0.000 1.022 -310 K CA -0.521 55.780 56.287 0.023 0.000 0.946 -310 K CB 1.393 33.898 32.500 0.009 0.000 1.000 -310 K HN 0.317 nan 8.250 nan 0.000 0.468 -309 V N 3.650 123.577 119.914 0.022 0.000 2.350 -309 V HA 0.236 4.356 4.120 -0.000 0.000 0.285 -309 V C -0.760 175.317 176.094 -0.029 0.000 1.014 -309 V CA -0.783 61.485 62.300 -0.053 0.000 0.831 -309 V CB 1.556 33.289 31.823 -0.150 0.000 1.000 -309 V HN 0.959 nan 8.190 nan 0.000 0.433 -308 T N 4.824 119.363 114.554 -0.026 0.000 2.753 -308 T HA 0.428 4.777 4.350 -0.000 0.000 0.297 -308 T C -0.050 174.668 174.700 0.030 0.000 0.981 -308 T CA -0.326 61.781 62.100 0.011 0.000 0.956 -308 T CB 1.209 70.090 68.868 0.022 0.000 0.936 -308 T HN 0.635 nan 8.240 nan 0.000 0.463 -307 V N 1.745 121.689 119.914 0.050 0.000 2.465 -307 V HA 0.678 4.798 4.120 -0.000 0.000 0.279 -307 V C -0.304 175.822 176.094 0.053 0.000 1.045 -307 V CA -0.662 61.688 62.300 0.082 0.000 0.938 -307 V CB 1.027 32.916 31.823 0.110 0.000 0.986 -307 V HN 0.840 nan 8.190 nan 0.000 0.467 -306 E N 3.073 123.305 120.200 0.053 0.000 2.369 -306 E HA 0.559 4.909 4.350 -0.000 0.000 0.270 -306 E C -1.466 174.985 176.600 -0.248 0.000 0.909 -306 E CA -0.768 55.532 56.400 -0.166 0.000 0.775 -306 E CB 2.241 31.841 29.700 -0.166 0.000 1.270 -306 E HN 1.115 nan 8.360 nan 0.000 0.445 -305 H N -1.299 117.512 119.070 -0.430 0.000 2.379 -305 H HA 0.392 4.948 4.556 -0.000 0.000 0.229 -305 H C -2.796 172.283 175.328 -0.414 0.000 1.423 -305 H CA -2.340 53.451 56.048 -0.428 0.000 1.375 -305 H CB -0.405 28.997 29.762 -0.600 0.000 1.592 -305 H HN 0.113 nan 8.280 nan 0.000 0.507 -304 P HA 0.066 nan 4.420 nan 0.000 0.272 -304 P C -0.295 176.805 177.300 -0.332 0.000 1.230 -304 P CA -0.228 62.525 63.100 -0.579 0.000 0.788 -304 P CB 0.865 31.971 31.700 -0.990 0.000 0.949 -303 D N 1.046 121.298 120.400 -0.246 0.000 2.382 -303 D HA 0.113 4.752 4.640 -0.000 0.000 0.245 -303 D C 0.073 176.282 176.300 -0.153 0.000 1.120 -303 D CA 0.075 53.989 54.000 -0.144 0.000 0.890 -303 D CB 0.040 40.776 40.800 -0.106 0.000 1.201 -303 D HN 0.250 nan 8.370 nan 0.000 0.433 -302 K N 0.632 120.969 120.400 -0.105 0.000 3.077 -302 K HA -0.222 4.098 4.320 -0.000 0.000 0.264 -302 K C 0.866 177.362 176.600 -0.174 0.000 1.008 -302 K CA -0.000 56.213 56.287 -0.123 0.000 0.740 -302 K CB -1.073 31.373 32.500 -0.089 0.000 1.273 -302 K HN 0.476 nan 8.250 nan 0.000 0.477 -301 L N -0.595 120.513 121.223 -0.192 0.000 2.201 -301 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 -301 L C 2.266 179.065 176.870 -0.117 0.000 1.105 -301 L CA 1.854 56.606 54.840 -0.146 0.000 0.775 -301 L CB -0.402 41.595 42.059 -0.103 0.000 0.913 -301 L HN 0.301 nan 8.230 nan 0.000 0.440 -300 E N 1.122 121.034 120.200 -0.481 0.000 2.204 -300 E HA -0.253 4.096 4.350 -0.000 0.000 0.194 -300 E C 1.555 178.033 176.600 -0.203 0.000 0.989 -300 E CA 1.758 57.792 56.400 -0.611 0.000 0.824 -300 E CB -0.347 28.398 29.700 -1.591 0.000 0.756 -300 E HN 0.823 nan 8.360 nan 0.000 0.477 -299 E N 0.206 120.310 120.200 -0.161 0.000 2.216 -299 E HA 0.019 4.369 4.350 -0.000 0.000 0.192 -299 E C 1.916 178.516 176.600 -0.001 0.000 0.973 -299 E CA 0.231 56.597 56.400 -0.056 0.000 0.851 -299 E CB 0.195 29.856 29.700 -0.065 0.000 0.804 -299 E HN 0.025 nan 8.360 nan 0.000 0.477 -298 K N 0.691 121.103 120.400 0.021 0.000 2.057 -298 K HA -0.139 4.181 4.320 -0.000 0.000 0.207 -298 K C 1.655 178.356 176.600 0.168 0.000 1.049 -298 K CA 0.940 57.284 56.287 0.096 0.000 0.931 -298 K CB -0.332 32.232 32.500 0.108 0.000 0.714 -298 K HN 0.022 nan 8.250 nan 0.000 0.440 -297 F N 1.628 121.599 119.950 0.035 0.000 2.065 -297 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 -297 F C -1.173 174.500 175.800 -0.212 0.000 1.112 -297 F CA 1.248 59.155 58.000 -0.155 0.000 1.212 -297 F CB -1.064 37.677 39.000 -0.433 0.000 0.975 -297 F HN 0.086 nan 8.300 nan 0.000 0.476 -296 P HA -0.154 nan 4.420 nan 0.000 0.220 -296 P C 1.200 178.389 177.300 -0.185 0.000 1.148 -296 P CA 1.744 64.713 63.100 -0.219 0.000 0.803 -296 P CB -0.191 31.511 31.700 0.003 0.000 0.782 -295 Q N -1.157 118.573 119.800 -0.116 0.000 2.187 -295 Q HA -0.020 4.320 4.340 -0.000 0.000 0.199 -295 Q C 1.883 177.816 176.000 -0.112 0.000 0.957 -295 Q CA 0.920 56.669 55.803 -0.090 0.000 0.857 -295 Q CB -0.342 28.369 28.738 -0.046 0.000 0.929 -295 Q HN 0.133 nan 8.270 nan 0.000 0.453 -294 V N -0.070 119.760 119.914 -0.140 0.000 3.085 -294 V HA 0.059 4.179 4.120 -0.000 0.000 0.245 -294 V C 1.919 177.876 176.094 -0.228 0.000 1.114 -294 V CA 1.031 63.260 62.300 -0.119 0.000 1.108 -294 V CB 0.202 32.036 31.823 0.019 0.000 0.798 -294 V HN 0.297 nan 8.190 nan 0.000 0.471 -293 A N 0.346 122.903 122.820 -0.438 0.000 1.908 -293 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 -293 A C 2.301 179.696 177.584 -0.316 0.000 1.181 -293 A CA 2.163 53.881 52.037 -0.531 0.000 0.627 -293 A CB -0.687 17.712 19.000 -1.003 0.000 0.818 -293 A HN 0.610 nan 8.150 nan 0.000 0.445 -292 A N -0.462 122.203 122.820 -0.258 0.000 2.067 -292 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 -292 A C 2.293 179.802 177.584 -0.124 0.000 1.158 -292 A CA 2.136 54.072 52.037 -0.169 0.000 0.661 -292 A CB -1.142 17.774 19.000 -0.140 0.000 0.801 -292 A HN 0.786 nan 8.150 nan 0.000 0.452 -291 T N -4.594 109.888 114.554 -0.121 0.000 3.055 -291 T HA 0.336 4.686 4.350 -0.000 0.000 0.265 -291 T C 1.502 176.155 174.700 -0.079 0.000 1.111 -291 T CA 1.340 63.389 62.100 -0.085 0.000 1.118 -291 T CB -0.042 68.785 68.868 -0.069 0.000 0.909 -291 T HN 1.610 nan 8.240 nan 0.000 0.501 -290 G N 0.934 109.673 108.800 -0.101 0.000 2.179 -290 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.220 -290 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.220 -290 G C -0.340 174.510 174.900 -0.085 0.000 0.990 -290 G CA -0.017 45.031 45.100 -0.088 0.000 0.646 -290 G HN 0.597 nan 8.290 nan 0.000 0.517 -289 D N 0.634 120.984 120.400 -0.084 0.000 2.387 -289 D HA 0.584 5.224 4.640 -0.000 0.000 0.251 -289 D C 0.928 177.149 176.300 -0.132 0.000 1.141 -289 D CA 1.274 55.238 54.000 -0.060 0.000 0.987 -289 D CB 1.046 41.843 40.800 -0.005 0.000 1.116 -289 D HN 1.462 nan 8.370 nan 0.000 0.491 -288 G N 0.362 109.073 108.800 -0.148 0.000 2.663 -288 G HA2 -0.041 3.918 3.960 -0.000 0.000 0.686 -288 G HA3 -0.041 3.918 3.960 -0.000 0.000 0.686 -288 G C -2.941 171.636 174.900 -0.539 0.000 1.246 -288 G CA -0.989 43.812 45.100 -0.499 0.000 0.795 -288 G HN 0.397 nan 8.290 nan 0.000 0.627 -287 P HA 0.347 nan 4.420 nan 0.000 0.277 -287 P C 0.098 177.211 177.300 -0.311 0.000 1.271 -287 P CA -0.271 62.426 63.100 -0.672 0.000 0.795 -287 P CB 1.043 32.122 31.700 -1.036 0.000 1.101 -286 D N -0.563 119.713 120.400 -0.207 0.000 2.213 -286 D HA 0.089 4.729 4.640 -0.000 0.000 0.205 -286 D C 0.575 176.810 176.300 -0.109 0.000 0.961 -286 D CA 1.289 55.217 54.000 -0.120 0.000 0.853 -286 D CB 0.377 41.121 40.800 -0.093 0.000 0.967 -286 D HN 0.318 nan 8.370 nan 0.000 0.496 -285 I N 1.027 121.516 120.570 -0.134 0.000 2.499 -285 I HA 0.299 4.468 4.170 -0.000 0.000 0.288 -285 I C -0.925 175.136 176.117 -0.095 0.000 1.048 -285 I CA -0.922 60.324 61.300 -0.091 0.000 1.062 -285 I CB 2.989 40.985 38.000 -0.007 0.000 1.238 -285 I HN -0.237 nan 8.210 nan 0.000 0.426 -284 I N 5.980 126.444 120.570 -0.177 0.000 2.362 -284 I HA 0.471 4.641 4.170 -0.000 0.000 0.289 -284 I C -1.363 174.827 176.117 0.121 0.000 0.994 -284 I CA -0.020 61.201 61.300 -0.133 0.000 1.158 -284 I CB 0.753 38.307 38.000 -0.744 0.000 1.315 -284 I HN 0.249 nan 8.210 nan 0.000 0.451 -283 F N 7.841 127.931 119.950 0.235 0.000 2.415 -283 F HA 0.538 5.064 4.527 -0.000 0.000 0.348 -283 F C -0.353 175.724 175.800 0.461 0.000 1.119 -283 F CA -0.031 58.160 58.000 0.319 0.000 1.069 -283 F CB 1.086 40.208 39.000 0.203 0.000 1.124 -283 F HN 0.449 nan 8.300 nan 0.000 0.472 -282 W N 2.022 123.592 121.300 0.450 0.000 3.059 -282 W HA 0.623 5.283 4.660 -0.000 0.000 0.329 -282 W C -1.253 175.470 176.519 0.340 0.000 1.246 -282 W CA -1.317 56.210 57.345 0.304 0.000 1.190 -282 W CB 1.553 31.121 29.460 0.180 0.000 1.423 -282 W HN 0.631 nan 8.180 nan 0.000 0.571 -281 A N 2.495 125.163 122.820 -0.254 0.000 2.507 -281 A HA -0.006 4.314 4.320 -0.000 0.000 0.235 -281 A C 1.468 179.263 177.584 0.351 0.000 1.070 -281 A CA 0.998 53.031 52.037 -0.007 0.000 0.768 -281 A CB -0.144 18.710 19.000 -0.243 0.000 1.011 -281 A HN 0.812 nan 8.150 nan 0.000 0.502 -280 H N 1.417 120.609 119.070 0.203 0.000 2.457 -280 H HA -0.184 4.372 4.556 -0.000 0.000 0.297 -280 H C 1.188 176.692 175.328 0.293 0.000 1.092 -280 H CA 1.663 57.847 56.048 0.227 0.000 1.309 -280 H CB -0.563 29.236 29.762 0.061 0.000 1.382 -280 H HN 0.839 nan 8.280 nan 0.000 0.535 -279 D N 1.372 121.514 120.400 -0.431 0.000 2.190 -279 D HA -0.206 4.433 4.640 -0.000 0.000 0.200 -279 D C 1.828 178.084 176.300 -0.074 0.000 0.992 -279 D CA 0.726 54.559 54.000 -0.279 0.000 0.854 -279 D CB -0.368 40.328 40.800 -0.173 0.000 0.936 -279 D HN 0.291 nan 8.370 nan 0.000 0.462 -278 R N -0.673 119.816 120.500 -0.017 0.000 2.236 -278 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 -278 R C 2.006 177.825 176.300 -0.802 0.000 1.036 -278 R CA 0.092 55.936 56.100 -0.426 0.000 1.001 -278 R CB -0.546 29.396 30.300 -0.596 0.000 0.896 -278 R HN 0.299 nan 8.270 nan 0.000 0.464 -277 F N -0.032 119.706 119.950 -0.353 0.000 2.367 -277 F HA 0.044 4.570 4.527 -0.000 0.000 0.298 -277 F C 2.438 178.060 175.800 -0.296 0.000 1.094 -277 F CA 1.075 58.937 58.000 -0.231 0.000 1.409 -277 F CB -0.483 38.526 39.000 0.016 0.000 1.064 -277 F HN 0.099 nan 8.300 nan 0.000 0.528 -276 G N -0.175 108.472 108.800 -0.256 0.000 2.408 -276 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.217 -276 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.217 -276 G C 2.052 176.587 174.900 -0.608 0.000 1.150 -276 G CA 0.812 45.484 45.100 -0.713 0.000 0.776 -276 G HN 0.474 nan 8.290 nan 0.000 0.542 -275 G N 0.099 108.660 108.800 -0.399 0.000 2.421 -275 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 -275 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 -275 G C 1.617 176.439 174.900 -0.130 0.000 1.171 -275 G CA 1.029 45.967 45.100 -0.270 0.000 0.775 -275 G HN 0.380 nan 8.290 nan 0.000 0.543 -274 Y N 1.329 121.556 120.300 -0.122 0.000 2.181 -274 Y HA 0.086 4.636 4.550 -0.000 0.000 0.288 -274 Y C 3.096 178.983 175.900 -0.023 0.000 1.146 -274 Y CA 0.093 58.167 58.100 -0.044 0.000 1.164 -274 Y CB -1.119 37.328 38.460 -0.022 0.000 0.982 -274 Y HN 0.272 nan 8.280 nan 0.000 0.515 -273 A N -0.307 122.554 122.820 0.068 0.000 1.873 -273 A HA -0.232 4.088 4.320 -0.000 0.000 0.215 -273 A C 2.190 179.802 177.584 0.047 0.000 1.186 -273 A CA 1.802 53.868 52.037 0.047 0.000 0.616 -273 A CB -0.704 18.283 19.000 -0.021 0.000 0.823 -273 A HN 0.350 nan 8.150 nan 0.000 0.442 -272 Q N 0.364 120.142 119.800 -0.036 0.000 2.170 -272 Q HA -0.056 4.284 4.340 -0.000 0.000 0.203 -272 Q C 1.950 177.978 176.000 0.047 0.000 0.976 -272 Q CA 1.932 57.769 55.803 0.057 0.000 0.858 -272 Q CB -0.472 28.290 28.738 0.040 0.000 0.907 -272 Q HN 0.545 nan 8.270 nan 0.000 0.433 -271 S N -0.996 114.724 115.700 0.034 0.000 2.603 -271 S HA 0.208 4.677 4.470 -0.000 0.000 0.220 -271 S C 0.905 175.514 174.600 0.015 0.000 0.967 -271 S CA 0.558 58.772 58.200 0.023 0.000 0.920 -271 S CB -0.056 63.158 63.200 0.022 0.000 0.773 -271 S HN 0.637 nan 8.310 nan 0.000 0.529 -270 G N 1.399 110.223 108.800 0.040 0.000 2.225 -270 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.264 -270 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.264 -270 G C 0.357 175.266 174.900 0.014 0.000 1.060 -270 G CA 0.243 45.363 45.100 0.034 0.000 0.833 -270 G HN 0.522 nan 8.290 nan 0.000 0.498 -269 L N -1.364 119.883 121.223 0.040 0.000 2.616 -269 L HA 0.431 4.771 4.340 -0.000 0.000 0.229 -269 L C 1.115 178.060 176.870 0.124 0.000 1.110 -269 L CA 0.138 54.978 54.840 -0.001 0.000 0.884 -269 L CB 0.153 42.162 42.059 -0.083 0.000 1.115 -269 L HN 0.218 nan 8.230 nan 0.000 0.481 -268 L N 0.013 121.329 121.223 0.155 0.000 2.334 -268 L HA 0.660 4.999 4.340 -0.000 0.000 0.276 -268 L C 0.283 177.225 176.870 0.119 0.000 1.014 -268 L CA -0.658 54.290 54.840 0.179 0.000 0.815 -268 L CB 1.807 44.011 42.059 0.242 0.000 1.268 -268 L HN -0.106 nan 8.230 nan 0.000 0.428 -267 A N 1.792 124.675 122.820 0.105 0.000 2.386 -267 A HA 0.331 4.651 4.320 -0.000 0.000 0.248 -267 A C 0.035 177.663 177.584 0.075 0.000 1.082 -267 A CA -0.435 51.648 52.037 0.076 0.000 0.789 -267 A CB 0.148 19.189 19.000 0.069 0.000 1.025 -267 A HN 0.802 nan 8.150 nan 0.000 0.490 -266 E N 1.226 121.459 120.200 0.055 0.000 2.360 -266 E HA 0.399 4.749 4.350 -0.000 0.000 0.269 -266 E C -0.320 176.295 176.600 0.024 0.000 1.022 -266 E CA -0.432 55.991 56.400 0.039 0.000 0.887 -266 E CB 0.423 30.139 29.700 0.027 0.000 0.990 -266 E HN 0.587 nan 8.360 nan 0.000 0.426 -265 I N -0.044 120.517 120.570 -0.015 0.000 2.437 -265 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 -265 I C -0.452 175.617 176.117 -0.079 0.000 0.984 -265 I CA -0.711 60.553 61.300 -0.060 0.000 1.214 -265 I CB 1.983 39.829 38.000 -0.256 0.000 1.365 -265 I HN 0.427 nan 8.210 nan 0.000 0.469 -264 T N 3.537 118.068 114.554 -0.039 0.000 3.516 -264 T HA 0.365 4.715 4.350 -0.000 0.000 0.245 -264 T C -2.430 172.250 174.700 -0.032 0.000 1.077 -264 T CA -0.838 61.239 62.100 -0.038 0.000 1.222 -264 T CB -0.517 68.345 68.868 -0.010 0.000 1.045 -264 T HN 0.548 nan 8.240 nan 0.000 0.585 -263 P HA 0.268 nan 4.420 nan 0.000 0.276 -263 P C -0.286 177.018 177.300 0.006 0.000 1.230 -263 P CA -0.220 62.896 63.100 0.027 0.000 0.776 -263 P CB 0.974 32.812 31.700 0.230 0.000 0.888 -262 D N 2.285 122.718 120.400 0.055 0.000 2.414 -262 D HA 0.013 4.652 4.640 -0.000 0.000 0.251 -262 D C 1.121 177.446 176.300 0.042 0.000 1.252 -262 D CA -0.376 53.644 54.000 0.033 0.000 0.999 -262 D CB 0.649 41.472 40.800 0.039 0.000 1.093 -262 D HN 0.119 nan 8.370 nan 0.000 0.515 -261 K N 0.279 120.681 120.400 0.005 0.000 2.057 -261 K HA -0.105 4.214 4.320 -0.000 0.000 0.207 -261 K C 1.894 178.512 176.600 0.029 0.000 1.049 -261 K CA 2.094 58.372 56.287 -0.015 0.000 0.931 -261 K CB -0.954 31.535 32.500 -0.020 0.000 0.714 -261 K HN 0.458 nan 8.250 nan 0.000 0.440 -260 A N -0.228 122.631 122.820 0.065 0.000 1.933 -260 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 -260 A C 2.232 179.898 177.584 0.135 0.000 1.175 -260 A CA 1.514 53.600 52.037 0.082 0.000 0.628 -260 A CB -0.873 18.174 19.000 0.079 0.000 0.814 -260 A HN 0.504 nan 8.150 nan 0.000 0.444 -259 F N 0.405 120.389 119.950 0.056 0.000 2.163 -259 F HA -0.144 4.382 4.527 -0.000 0.000 0.297 -259 F C 2.539 178.476 175.800 0.227 0.000 1.094 -259 F CA 1.923 59.999 58.000 0.127 0.000 1.290 -259 F CB -0.168 38.925 39.000 0.155 0.000 1.017 -259 F HN 0.270 nan 8.300 nan 0.000 0.483 -258 Q N -0.128 119.779 119.800 0.179 0.000 2.124 -258 Q HA -0.213 4.126 4.340 -0.000 0.000 0.202 -258 Q C 1.568 177.691 176.000 0.205 0.000 0.977 -258 Q CA 1.525 57.380 55.803 0.086 0.000 0.850 -258 Q CB -0.291 28.184 28.738 -0.437 0.000 0.901 -258 Q HN 0.386 nan 8.270 nan 0.000 0.429 -257 D N 0.588 121.024 120.400 0.060 0.000 2.263 -257 D HA -0.110 4.529 4.640 -0.000 0.000 0.208 -257 D C 1.271 177.560 176.300 -0.017 0.000 0.971 -257 D CA 1.016 55.036 54.000 0.034 0.000 0.867 -257 D CB 0.056 40.864 40.800 0.012 0.000 0.929 -257 D HN 0.186 nan 8.370 nan 0.000 0.492 -256 K N -0.346 120.005 120.400 -0.082 0.000 2.418 -256 K HA 0.095 4.415 4.320 -0.000 0.000 0.195 -256 K C 0.630 177.070 176.600 -0.266 0.000 1.035 -256 K CA 0.304 56.477 56.287 -0.190 0.000 1.003 -256 K CB 0.708 33.048 32.500 -0.267 0.000 0.793 -256 K HN 0.159 nan 8.250 nan 0.000 0.494 -255 L N 0.629 121.734 121.223 -0.197 0.000 2.330 -255 L HA 0.332 4.672 4.340 -0.000 0.000 0.271 -255 L C -0.317 176.419 176.870 -0.224 0.000 1.013 -255 L CA -1.342 53.292 54.840 -0.343 0.000 0.816 -255 L CB 0.704 42.383 42.059 -0.632 0.000 1.287 -255 L HN -0.077 nan 8.230 nan 0.000 0.435 -254 Y N 1.939 122.135 120.300 -0.172 0.000 2.620 -254 Y HA 0.004 4.554 4.550 -0.001 0.000 0.330 -254 Y C -1.374 174.504 175.900 -0.037 0.000 1.186 -254 Y CA -1.102 56.963 58.100 -0.058 0.000 1.467 -254 Y CB -0.044 38.388 38.460 -0.046 0.000 1.262 -254 Y HN 0.432 nan 8.280 nan 0.000 0.550 -253 P HA -0.255 nan 4.420 nan 0.000 0.216 -253 P C 1.440 178.903 177.300 0.271 0.000 1.150 -253 P CA 1.685 64.987 63.100 0.337 0.000 0.843 -253 P CB -0.133 31.731 31.700 0.274 0.000 0.787 -252 F N -0.190 119.843 119.950 0.139 0.000 2.325 -252 F HA -0.088 4.439 4.527 -0.000 0.000 0.299 -252 F C 1.890 177.703 175.800 0.023 0.000 1.090 -252 F CA 1.528 59.569 58.000 0.067 0.000 1.392 -252 F CB -2.114 36.897 39.000 0.019 0.000 1.053 -252 F HN -0.110 nan 8.300 nan 0.000 0.521 -251 T N -2.992 111.044 114.554 -0.864 0.000 2.867 -251 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 -251 T C 1.635 176.115 174.700 -0.366 0.000 1.057 -251 T CA 1.253 62.918 62.100 -0.725 0.000 1.136 -251 T CB -1.256 67.154 68.868 -0.763 0.000 0.874 -251 T HN 0.592 nan 8.240 nan 0.000 0.466 -250 W N 1.917 123.120 121.300 -0.163 0.000 2.381 -250 W HA 0.038 4.698 4.660 -0.001 0.000 0.301 -250 W C 2.210 178.698 176.519 -0.053 0.000 1.205 -250 W CA 0.266 57.558 57.345 -0.088 0.000 1.285 -250 W CB -0.144 29.286 29.460 -0.050 0.000 1.133 -250 W HN 0.196 nan 8.180 nan 0.000 0.521 -249 D N 0.210 120.732 120.400 0.203 0.000 2.158 -249 D HA -0.199 4.440 4.640 -0.000 0.000 0.197 -249 D C 2.166 178.530 176.300 0.107 0.000 0.995 -249 D CA 1.831 55.923 54.000 0.153 0.000 0.846 -249 D CB -0.810 40.086 40.800 0.160 0.000 0.941 -249 D HN 0.141 nan 8.370 nan 0.000 0.456 -248 A N 0.453 123.270 122.820 -0.005 0.000 1.972 -248 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 -248 A C 2.084 179.690 177.584 0.037 0.000 1.169 -248 A CA 1.556 53.514 52.037 -0.130 0.000 0.635 -248 A CB -0.253 18.440 19.000 -0.512 0.000 0.810 -248 A HN 0.249 nan 8.150 nan 0.000 0.446 -247 V N -3.455 116.490 119.914 0.052 0.000 3.271 -247 V HA 0.380 4.500 4.120 -0.000 0.000 0.327 -247 V C 0.489 176.672 176.094 0.149 0.000 1.389 -247 V CA -0.332 62.014 62.300 0.077 0.000 1.156 -247 V CB -0.771 31.039 31.823 -0.022 0.000 1.103 -247 V HN 0.374 nan 8.190 nan 0.000 0.453 -246 R N 0.969 121.576 120.500 0.178 0.000 2.229 -246 R HA 0.479 4.818 4.340 -0.000 0.000 0.328 -246 R C -1.664 174.781 176.300 0.240 0.000 1.009 -246 R CA -0.673 55.531 56.100 0.174 0.000 0.864 -246 R CB 1.087 31.468 30.300 0.136 0.000 1.085 -246 R HN 0.512 nan 8.270 nan 0.000 0.453 -245 Y N 5.295 125.645 120.300 0.083 0.000 2.329 -245 Y HA 0.196 4.746 4.550 -0.000 0.000 0.328 -245 Y C -0.748 175.187 175.900 0.058 0.000 0.992 -245 Y CA -1.069 57.080 58.100 0.082 0.000 1.151 -245 Y CB 1.088 39.603 38.460 0.093 0.000 1.150 -245 Y HN 0.797 nan 8.280 nan 0.000 0.450 -244 N N 4.259 122.667 118.700 -0.486 0.000 2.725 -244 N HA -0.198 4.542 4.740 -0.000 0.000 0.251 -244 N C 0.981 176.404 175.510 -0.144 0.000 1.031 -244 N CA 1.748 54.575 53.050 -0.371 0.000 0.720 -244 N CB -1.239 36.940 38.487 -0.513 0.000 0.930 -244 N HN 1.402 nan 8.380 nan 0.000 0.543 -243 G N -2.070 106.688 108.800 -0.070 0.000 2.212 -243 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.266 -243 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.266 -243 G C -0.014 174.880 174.900 -0.010 0.000 0.978 -243 G CA 0.882 45.965 45.100 -0.029 0.000 0.632 -243 G HN 0.416 nan 8.290 nan 0.000 0.537 -242 K N 0.335 120.743 120.400 0.012 0.000 2.182 -242 K HA 0.590 4.910 4.320 -0.000 0.000 0.262 -242 K C 0.485 177.121 176.600 0.060 0.000 0.957 -242 K CA -0.780 55.525 56.287 0.031 0.000 0.842 -242 K CB 1.769 34.302 32.500 0.056 0.000 1.099 -242 K HN 0.232 nan 8.250 nan 0.000 0.438 -241 L N 4.415 125.646 121.223 0.014 0.000 2.361 -241 L HA 0.208 4.547 4.340 -0.000 0.000 0.278 -241 L C 1.432 178.318 176.870 0.027 0.000 1.113 -241 L CA 0.035 54.888 54.840 0.022 0.000 0.849 -241 L CB 0.061 42.082 42.059 -0.065 0.000 1.155 -241 L HN 0.653 nan 8.230 nan 0.000 0.452 -240 I N 0.110 120.717 120.570 0.063 0.000 4.154 -240 I HA 0.642 4.812 4.170 -0.000 0.000 0.334 -240 I C 0.395 176.525 176.117 0.022 0.000 1.371 -240 I CA -0.181 61.170 61.300 0.084 0.000 1.110 -240 I CB 0.565 38.672 38.000 0.177 0.000 1.085 -240 I HN 0.509 nan 8.210 nan 0.000 0.398 -239 A N 0.134 122.901 122.820 -0.088 0.000 2.586 -239 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 -239 A C -2.072 175.400 177.584 -0.186 0.000 1.062 -239 A CA -0.458 51.458 52.037 -0.202 0.000 0.666 -239 A CB 0.523 19.184 19.000 -0.565 0.000 1.281 -239 A HN 0.160 nan 8.150 nan 0.000 0.421 -238 Y N 1.138 121.380 120.300 -0.098 0.000 2.327 -238 Y HA 0.481 5.031 4.550 -0.000 0.000 0.336 -238 Y C -2.006 173.742 175.900 -0.253 0.000 1.035 -238 Y CA -1.868 56.187 58.100 -0.076 0.000 1.165 -238 Y CB 1.156 39.614 38.460 -0.004 0.000 1.181 -238 Y HN 0.414 nan 8.280 nan 0.000 0.494 -237 P HA 0.134 nan 4.420 nan 0.000 0.279 -237 P C -0.027 177.151 177.300 -0.204 0.000 1.239 -237 P CA 0.059 62.976 63.100 -0.306 0.000 0.789 -237 P CB 1.587 32.972 31.700 -0.525 0.000 0.933 -236 I N 0.532 121.041 120.570 -0.102 0.000 3.570 -236 I HA 0.378 4.548 4.170 -0.000 0.000 0.270 -236 I C 0.924 177.037 176.117 -0.007 0.000 1.162 -236 I CA 0.287 61.585 61.300 -0.003 0.000 1.413 -236 I CB -0.597 37.488 38.000 0.141 0.000 1.437 -236 I HN 0.357 nan 8.210 nan 0.000 0.457 -235 A N 0.538 123.356 122.820 -0.005 0.000 2.605 -235 A HA 0.631 4.951 4.320 -0.000 0.000 0.294 -235 A C -1.364 176.236 177.584 0.027 0.000 1.062 -235 A CA -0.375 51.674 52.037 0.021 0.000 0.682 -235 A CB 1.385 20.424 19.000 0.064 0.000 1.278 -235 A HN -0.164 nan 8.150 nan 0.000 0.410 -234 V N 1.885 121.832 119.914 0.055 0.000 2.370 -234 V HA 0.426 4.546 4.120 -0.000 0.000 0.279 -234 V C -0.192 175.986 176.094 0.140 0.000 1.029 -234 V CA -0.227 62.139 62.300 0.109 0.000 0.870 -234 V CB 0.871 32.798 31.823 0.174 0.000 0.984 -234 V HN 0.864 nan 8.190 nan 0.000 0.451 -233 E N 3.610 123.920 120.200 0.184 0.000 2.183 -233 E HA 0.832 5.182 4.350 -0.000 0.000 0.271 -233 E C -0.454 176.301 176.600 0.258 0.000 0.919 -233 E CA -0.686 55.851 56.400 0.228 0.000 0.781 -233 E CB 2.334 32.255 29.700 0.369 0.000 1.140 -233 E HN 0.785 nan 8.360 nan 0.000 0.402 -232 A N 2.901 125.832 122.820 0.185 0.000 2.515 -232 A HA 0.520 4.840 4.320 -0.000 0.000 0.298 -232 A C -0.873 176.756 177.584 0.075 0.000 1.059 -232 A CA -0.800 51.342 52.037 0.174 0.000 0.698 -232 A CB 0.876 19.961 19.000 0.142 0.000 1.289 -232 A HN 0.579 nan 8.150 nan 0.000 0.404 -231 L N 1.442 122.684 121.223 0.032 0.000 2.456 -231 L HA 0.420 4.760 4.340 -0.000 0.000 0.272 -231 L C 0.559 177.428 176.870 -0.002 0.000 1.189 -231 L CA 0.204 55.021 54.840 -0.038 0.000 0.846 -231 L CB 1.080 43.070 42.059 -0.115 0.000 1.111 -231 L HN 0.718 nan 8.230 nan 0.000 0.475 -230 S N 1.739 117.443 115.700 0.006 0.000 2.667 -230 S HA 0.537 5.006 4.470 -0.000 0.000 0.292 -230 S C -1.005 173.597 174.600 0.004 0.000 1.126 -230 S CA -0.656 57.565 58.200 0.035 0.000 0.881 -230 S CB 2.032 65.300 63.200 0.113 0.000 1.132 -230 S HN 0.380 nan 8.310 nan 0.000 0.492 -229 L N 2.556 123.774 121.223 -0.009 0.000 2.313 -229 L HA 0.526 4.866 4.340 -0.000 0.000 0.282 -229 L C -1.215 175.686 176.870 0.051 0.000 1.092 -229 L CA 0.303 55.121 54.840 -0.037 0.000 0.831 -229 L CB -0.264 41.738 42.059 -0.095 0.000 1.159 -229 L HN 0.509 nan 8.230 nan 0.000 0.442 -228 I N 6.681 127.237 120.570 -0.023 0.000 2.354 -228 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 -228 I C -0.885 175.243 176.117 0.018 0.000 0.989 -228 I CA -0.811 60.455 61.300 -0.057 0.000 1.188 -228 I CB 0.977 38.786 38.000 -0.319 0.000 1.342 -228 I HN 0.615 nan 8.210 nan 0.000 0.457 -227 Y N 4.393 124.759 120.300 0.110 0.000 2.536 -227 Y HA 0.539 5.088 4.550 -0.000 0.000 0.347 -227 Y C -0.731 175.441 175.900 0.453 0.000 1.000 -227 Y CA -1.578 56.694 58.100 0.288 0.000 1.051 -227 Y CB 0.940 39.469 38.460 0.115 0.000 1.259 -227 Y HN 0.459 nan 8.280 nan 0.000 0.468 -226 N N 2.721 121.661 118.700 0.401 0.000 2.420 -226 N HA 0.170 4.910 4.740 -0.000 0.000 0.249 -226 N C 0.120 175.690 175.510 0.099 0.000 1.033 -226 N CA -0.175 52.931 53.050 0.093 0.000 0.944 -226 N CB 1.070 39.483 38.487 -0.124 0.000 1.113 -226 N HN 0.900 nan 8.380 nan 0.000 0.502 -225 K N 1.914 122.298 120.400 -0.027 0.000 2.147 -225 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 -225 K C 0.334 176.967 176.600 0.055 0.000 1.049 -225 K CA 1.284 57.598 56.287 0.045 0.000 0.936 -225 K CB 0.280 32.743 32.500 -0.061 0.000 0.722 -225 K HN 0.520 nan 8.250 nan 0.000 0.446 -224 D N 0.746 121.152 120.400 0.009 0.000 2.178 -224 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 -224 D C 1.767 178.075 176.300 0.013 0.000 0.974 -224 D CA 0.928 54.928 54.000 0.001 0.000 0.841 -224 D CB 0.038 40.824 40.800 -0.023 0.000 0.953 -224 D HN 0.160 nan 8.370 nan 0.000 0.478 -223 L N -0.797 120.440 121.223 0.024 0.000 2.354 -223 L HA 0.129 4.469 4.340 -0.000 0.000 0.212 -223 L C 0.329 177.233 176.870 0.057 0.000 1.091 -223 L CA 0.199 55.056 54.840 0.029 0.000 0.828 -223 L CB 0.610 42.679 42.059 0.017 0.000 0.973 -223 L HN -0.037 nan 8.230 nan 0.000 0.461 -222 L N 0.136 121.421 121.223 0.104 0.000 2.440 -222 L HA 0.309 4.649 4.340 -0.000 0.000 0.261 -222 L C -1.956 175.007 176.870 0.154 0.000 1.382 -222 L CA -0.990 53.915 54.840 0.109 0.000 0.871 -222 L CB 0.979 43.114 42.059 0.126 0.000 1.052 -222 L HN -0.282 nan 8.230 nan 0.000 0.509 -221 P HA -0.121 nan 4.420 nan 0.000 0.216 -221 P C -0.428 176.909 177.300 0.063 0.000 1.150 -221 P CA 1.186 64.350 63.100 0.107 0.000 0.843 -221 P CB 0.161 31.890 31.700 0.047 0.000 0.787 -220 N N 0.867 119.549 118.700 -0.031 0.000 2.564 -220 N HA 0.233 4.973 4.740 -0.000 0.000 0.248 -220 N C -2.492 172.885 175.510 -0.222 0.000 0.986 -220 N CA -1.336 51.638 53.050 -0.127 0.000 0.921 -220 N CB 1.501 39.938 38.487 -0.083 0.000 1.136 -220 N HN 0.149 nan 8.380 nan 0.000 0.509 -219 P HA 0.131 nan 4.420 nan 0.000 0.269 -219 P C -2.504 174.630 177.300 -0.278 0.000 1.215 -219 P CA -0.742 62.078 63.100 -0.468 0.000 0.780 -219 P CB -0.184 31.018 31.700 -0.830 0.000 0.898 -218 P HA 0.139 nan 4.420 nan 0.000 0.271 -218 P C 0.314 177.505 177.300 -0.182 0.000 1.216 -218 P CA -0.000 63.001 63.100 -0.164 0.000 0.776 -218 P CB 1.011 32.624 31.700 -0.146 0.000 0.881 -217 K N 0.124 120.443 120.400 -0.134 0.000 2.361 -217 K HA 0.067 4.387 4.320 -0.000 0.000 0.196 -217 K C 0.908 177.447 176.600 -0.103 0.000 1.039 -217 K CA 0.705 56.921 56.287 -0.119 0.000 1.001 -217 K CB 0.153 32.602 32.500 -0.086 0.000 0.795 -217 K HN 0.637 nan 8.250 nan 0.000 0.495 -216 T N -4.078 110.422 114.554 -0.091 0.000 2.893 -216 T HA 0.192 4.542 4.350 -0.000 0.000 0.291 -216 T C 0.235 174.916 174.700 -0.031 0.000 1.028 -216 T CA -0.938 61.142 62.100 -0.033 0.000 0.995 -216 T CB 1.082 69.952 68.868 0.003 0.000 1.051 -216 T HN 0.154 nan 8.240 nan 0.000 0.470 -215 W N 0.994 122.269 121.300 -0.042 0.000 2.342 -215 W HA 0.023 4.683 4.660 -0.001 0.000 0.297 -215 W C 2.125 178.667 176.519 0.039 0.000 1.213 -215 W CA 1.159 58.477 57.345 -0.045 0.000 1.251 -215 W CB -0.196 29.106 29.460 -0.263 0.000 1.136 -215 W HN 0.818 nan 8.180 nan 0.000 0.526 -214 E N 0.041 120.347 120.200 0.175 0.000 2.267 -214 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 -214 E C 1.832 178.584 176.600 0.252 0.000 0.998 -214 E CA 1.641 58.187 56.400 0.244 0.000 0.830 -214 E CB -0.399 29.366 29.700 0.109 0.000 0.751 -214 E HN 0.527 nan 8.360 nan 0.000 0.491 -213 E N 0.206 120.495 120.200 0.149 0.000 2.474 -213 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 -213 E C 1.664 178.305 176.600 0.068 0.000 1.041 -213 E CA 0.087 56.538 56.400 0.085 0.000 0.874 -213 E CB -0.064 29.651 29.700 0.025 0.000 0.914 -213 E HN 0.279 nan 8.360 nan 0.000 0.498 -212 I N 1.740 122.385 120.570 0.124 0.000 2.226 -212 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 -212 I C -0.584 175.498 176.117 -0.057 0.000 1.100 -212 I CA 0.821 62.160 61.300 0.064 0.000 1.374 -212 I CB -1.102 36.980 38.000 0.137 0.000 1.057 -212 I HN 0.106 nan 8.210 nan 0.000 0.413 -211 P HA -0.223 nan 4.420 nan 0.000 0.215 -211 P C 1.493 178.623 177.300 -0.284 0.000 1.157 -211 P CA 1.993 64.833 63.100 -0.434 0.000 0.874 -211 P CB -0.023 31.601 31.700 -0.126 0.000 0.790 -210 A N -1.371 121.399 122.820 -0.083 0.000 1.969 -210 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 -210 A C 2.128 179.688 177.584 -0.039 0.000 1.169 -210 A CA 1.215 53.232 52.037 -0.034 0.000 0.635 -210 A CB -1.530 17.472 19.000 0.004 0.000 0.810 -210 A HN 0.118 nan 8.150 nan 0.000 0.445 -209 L N -0.025 121.168 121.223 -0.049 0.000 2.072 -209 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 -209 L C 1.964 178.814 176.870 -0.032 0.000 1.079 -209 L CA 2.408 57.229 54.840 -0.032 0.000 0.752 -209 L CB -0.514 41.529 42.059 -0.027 0.000 0.906 -209 L HN 0.492 nan 8.230 nan 0.000 0.436 -208 D N -1.105 119.247 120.400 -0.080 0.000 2.144 -208 D HA -0.199 4.441 4.640 -0.000 0.000 0.199 -208 D C 2.104 178.412 176.300 0.013 0.000 0.984 -208 D CA 1.076 55.052 54.000 -0.040 0.000 0.834 -208 D CB 0.161 40.902 40.800 -0.098 0.000 0.955 -208 D HN 0.082 nan 8.370 nan 0.000 0.465 -207 K N 0.446 120.841 120.400 -0.007 0.000 2.032 -207 K HA -0.149 4.170 4.320 -0.000 0.000 0.209 -207 K C 2.137 178.757 176.600 0.033 0.000 1.048 -207 K CA 0.963 57.278 56.287 0.047 0.000 0.927 -207 K CB -0.255 32.273 32.500 0.046 0.000 0.712 -207 K HN 0.391 nan 8.250 nan 0.000 0.441 -206 E N 0.686 120.896 120.200 0.016 0.000 2.058 -206 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 -206 E C 2.233 178.844 176.600 0.018 0.000 0.997 -206 E CA 1.092 57.501 56.400 0.015 0.000 0.801 -206 E CB -0.126 29.579 29.700 0.008 0.000 0.746 -206 E HN 0.225 nan 8.360 nan 0.000 0.450 -205 L N 0.585 121.820 121.223 0.020 0.000 2.156 -205 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 -205 L C 2.384 179.271 176.870 0.028 0.000 1.095 -205 L CA 0.718 55.572 54.840 0.024 0.000 0.770 -205 L CB -0.157 41.919 42.059 0.028 0.000 0.914 -205 L HN -0.049 nan 8.230 nan 0.000 0.439 -204 K N 0.503 120.926 120.400 0.039 0.000 2.113 -204 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 -204 K C 2.056 178.674 176.600 0.029 0.000 1.047 -204 K CA 1.510 57.822 56.287 0.042 0.000 0.928 -204 K CB -0.646 31.890 32.500 0.060 0.000 0.716 -204 K HN 0.288 nan 8.250 nan 0.000 0.446 -203 A N 0.131 122.967 122.820 0.026 0.000 2.067 -203 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 -203 A C 1.506 179.098 177.584 0.014 0.000 1.158 -203 A CA 1.377 53.425 52.037 0.019 0.000 0.661 -203 A CB -0.186 18.825 19.000 0.018 0.000 0.801 -203 A HN 0.229 nan 8.150 nan 0.000 0.452 -202 K N -1.351 119.057 120.400 0.014 0.000 2.397 -202 K HA 0.297 4.616 4.320 -0.000 0.000 0.202 -202 K C 0.815 177.419 176.600 0.008 0.000 1.022 -202 K CA 0.431 56.723 56.287 0.009 0.000 1.141 -202 K CB 0.184 32.688 32.500 0.007 0.000 0.857 -202 K HN 0.538 nan 8.250 nan 0.000 0.514 -201 G N 1.866 110.673 108.800 0.012 0.000 2.176 -201 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.252 -201 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.252 -201 G C -0.193 174.713 174.900 0.011 0.000 1.024 -201 G CA 0.359 45.466 45.100 0.010 0.000 0.755 -201 G HN 0.115 nan 8.290 nan 0.000 0.507 -200 K N -0.438 119.972 120.400 0.016 0.000 2.378 -200 K HA 0.815 5.134 4.320 -0.000 0.000 0.244 -200 K C 0.204 176.824 176.600 0.035 0.000 1.039 -200 K CA -0.037 56.261 56.287 0.018 0.000 0.863 -200 K CB 1.841 34.347 32.500 0.011 0.000 1.326 -200 K HN 0.644 nan 8.250 nan 0.000 0.460 -199 S N -1.477 114.250 115.700 0.045 0.000 2.599 -199 S HA 0.600 5.070 4.470 -0.000 0.000 0.294 -199 S C 0.693 175.340 174.600 0.077 0.000 1.094 -199 S CA -0.246 57.994 58.200 0.067 0.000 0.931 -199 S CB 1.843 65.089 63.200 0.077 0.000 1.093 -199 S HN 0.583 nan 8.310 nan 0.000 0.488 -198 A N 0.808 123.677 122.820 0.081 0.000 1.854 -198 A HA 0.412 4.732 4.320 -0.000 0.000 0.214 -198 A C 0.620 178.274 177.584 0.116 0.000 1.192 -198 A CA 1.263 53.346 52.037 0.076 0.000 0.611 -198 A CB -0.708 18.317 19.000 0.042 0.000 0.832 -198 A HN 1.247 nan 8.150 nan 0.000 0.442 -197 L N -1.585 119.727 121.223 0.148 0.000 2.513 -197 L HA 0.696 5.036 4.340 -0.000 0.000 0.261 -197 L C -1.313 175.698 176.870 0.235 0.000 0.945 -197 L CA -0.168 54.792 54.840 0.199 0.000 0.848 -197 L CB 1.806 43.984 42.059 0.200 0.000 1.334 -197 L HN 0.325 nan 8.230 nan 0.000 0.407 -196 M N 5.782 125.533 119.600 0.253 0.000 2.326 -196 M HA 0.652 5.131 4.480 -0.000 0.000 0.292 -196 M C -1.520 174.947 176.300 0.279 0.000 1.081 -196 M CA -0.455 54.962 55.300 0.195 0.000 0.919 -196 M CB 2.080 34.745 32.600 0.108 0.000 1.634 -196 M HN 0.613 nan 8.290 nan 0.000 0.451 -195 F N 0.228 120.195 119.950 0.029 0.000 2.686 -195 F HA 0.570 5.097 4.527 -0.000 0.000 0.311 -195 F C -0.802 174.955 175.800 -0.073 0.000 1.128 -195 F CA -1.361 56.624 58.000 -0.025 0.000 0.946 -195 F CB 0.827 39.875 39.000 0.081 0.000 1.336 -195 F HN 0.469 nan 8.300 nan 0.000 0.457 -194 N N 1.728 120.336 118.700 -0.154 0.000 2.429 -194 N HA 0.116 4.856 4.740 -0.000 0.000 0.271 -194 N C 0.049 175.453 175.510 -0.176 0.000 1.272 -194 N CA 0.192 53.067 53.050 -0.292 0.000 0.921 -194 N CB 0.373 38.480 38.487 -0.633 0.000 1.128 -194 N HN 0.808 nan 8.380 nan 0.000 0.481 -193 L N 2.224 123.322 121.223 -0.210 0.000 2.607 -193 L HA 0.117 4.457 4.340 -0.000 0.000 0.228 -193 L C 1.414 178.282 176.870 -0.004 0.000 1.123 -193 L CA 0.040 54.796 54.840 -0.141 0.000 0.890 -193 L CB 0.087 42.007 42.059 -0.231 0.000 1.103 -193 L HN 0.464 nan 8.230 nan 0.000 0.468 -192 Q N -0.150 119.658 119.800 0.013 0.000 2.354 -192 Q HA 0.137 4.477 4.340 -0.000 0.000 0.203 -192 Q C 0.207 176.274 176.000 0.113 0.000 0.933 -192 Q CA 0.654 56.485 55.803 0.046 0.000 0.901 -192 Q CB 0.524 29.278 28.738 0.027 0.000 1.007 -192 Q HN 0.312 nan 8.270 nan 0.000 0.495 -191 E N 1.598 121.924 120.200 0.211 0.000 2.165 -191 E HA 0.177 4.527 4.350 -0.000 0.000 0.266 -191 E C -1.855 175.006 176.600 0.434 0.000 0.889 -191 E CA -1.996 54.591 56.400 0.312 0.000 0.756 -191 E CB 2.000 31.956 29.700 0.427 0.000 1.131 -191 E HN -0.090 nan 8.360 nan 0.000 0.411 -190 P HA -0.173 nan 4.420 nan 0.000 0.225 -190 P C 1.301 178.941 177.300 0.567 0.000 1.148 -190 P CA 0.750 64.112 63.100 0.436 0.000 0.779 -190 P CB 0.136 32.095 31.700 0.432 0.000 0.780 -189 Y N 0.737 121.166 120.300 0.214 0.000 2.193 -189 Y HA -0.227 4.323 4.550 -0.000 0.000 0.285 -189 Y C 1.899 177.920 175.900 0.202 0.000 1.166 -189 Y CA 1.754 59.911 58.100 0.095 0.000 1.181 -189 Y CB -1.080 37.200 38.460 -0.300 0.000 0.976 -189 Y HN -0.187 nan 8.280 nan 0.000 0.520 -188 F N -1.126 119.049 119.950 0.375 0.000 2.512 -188 F HA -0.040 4.487 4.527 -0.000 0.000 0.296 -188 F C 2.430 178.447 175.800 0.361 0.000 1.110 -188 F CA 1.171 59.370 58.000 0.332 0.000 1.446 -188 F CB -0.541 38.785 39.000 0.544 0.000 1.092 -188 F HN 0.062 nan 8.300 nan 0.000 0.554 -187 T N -3.405 111.505 114.554 0.593 0.000 3.051 -187 T HA -0.155 4.195 4.350 -0.000 0.000 0.255 -187 T C 1.867 176.731 174.700 0.273 0.000 1.085 -187 T CA 0.021 62.389 62.100 0.447 0.000 1.109 -187 T CB -0.726 68.370 68.868 0.380 0.000 0.921 -187 T HN 0.499 nan 8.240 nan 0.000 0.488 -186 W N 3.040 124.451 121.300 0.185 0.000 2.321 -186 W HA -0.095 4.565 4.660 -0.001 0.000 0.306 -186 W C -1.659 174.865 176.519 0.007 0.000 1.217 -186 W CA 1.337 58.763 57.345 0.135 0.000 1.257 -186 W CB -1.096 28.542 29.460 0.297 0.000 1.145 -186 W HN 0.300 nan 8.180 nan 0.000 0.509 -185 P HA -0.194 nan 4.420 nan 0.000 0.218 -185 P C 1.725 178.897 177.300 -0.213 0.000 1.148 -185 P CA 1.419 64.455 63.100 -0.108 0.000 0.822 -185 P CB -0.424 31.290 31.700 0.024 0.000 0.784 -184 L N -0.896 120.167 121.223 -0.267 0.000 2.095 -184 L HA -0.001 4.339 4.340 -0.000 0.000 0.204 -184 L C 2.132 178.683 176.870 -0.531 0.000 1.080 -184 L CA 1.524 56.049 54.840 -0.524 0.000 0.759 -184 L CB -1.173 40.375 42.059 -0.852 0.000 0.914 -184 L HN -0.159 nan 8.230 nan 0.000 0.439 -183 I N -0.088 120.182 120.570 -0.499 0.000 2.286 -183 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 -183 I C 2.442 178.172 176.117 -0.645 0.000 1.115 -183 I CA 1.251 62.229 61.300 -0.535 0.000 1.392 -183 I CB -0.536 37.155 38.000 -0.516 0.000 1.065 -183 I HN 0.348 nan 8.210 nan 0.000 0.418 -182 A N 0.393 122.699 122.820 -0.858 0.000 2.067 -182 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 -182 A C 2.517 179.929 177.584 -0.287 0.000 1.156 -182 A CA 1.109 52.736 52.037 -0.684 0.000 0.683 -182 A CB -0.541 17.976 19.000 -0.806 0.000 0.808 -182 A HN 0.381 nan 8.150 nan 0.000 0.455 -181 A N 0.350 123.045 122.820 -0.209 0.000 1.873 -181 A HA -0.253 4.066 4.320 -0.000 0.000 0.218 -181 A C 1.776 179.370 177.584 0.018 0.000 1.193 -181 A CA 2.222 54.237 52.037 -0.036 0.000 0.629 -181 A CB -0.533 18.506 19.000 0.066 0.000 0.826 -181 A HN 0.457 nan 8.150 nan 0.000 0.447 -180 D N -2.858 117.579 120.400 0.061 0.000 2.340 -180 D HA 0.338 4.978 4.640 -0.000 0.000 0.217 -180 D C 0.871 177.184 176.300 0.021 0.000 1.081 -180 D CA 1.061 55.086 54.000 0.042 0.000 0.842 -180 D CB 0.126 40.972 40.800 0.076 0.000 0.934 -180 D HN 0.517 nan 8.370 nan 0.000 0.511 -179 G N -1.201 107.600 108.800 0.002 0.000 2.559 -179 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.202 -179 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.202 -179 G C 0.697 175.640 174.900 0.072 0.000 0.992 -179 G CA -0.227 44.908 45.100 0.059 0.000 0.764 -179 G HN 0.481 nan 8.290 nan 0.000 0.525 -178 G N 0.515 109.258 108.800 -0.095 0.000 2.432 -178 G HA2 0.594 4.554 3.960 -0.000 0.000 0.239 -178 G HA3 0.594 4.554 3.960 -0.000 0.000 0.239 -178 G C -0.193 174.701 174.900 -0.011 0.000 1.291 -178 G CA 0.699 45.680 45.100 -0.199 0.000 0.863 -178 G HN 1.364 nan 8.290 nan 0.000 0.560 -177 Y N -1.299 119.087 120.300 0.143 0.000 2.625 -177 Y HA 0.731 5.281 4.550 -0.000 0.000 0.338 -177 Y C 0.666 176.756 175.900 0.316 0.000 1.123 -177 Y CA -0.850 57.426 58.100 0.293 0.000 1.046 -177 Y CB 0.896 39.458 38.460 0.170 0.000 1.299 -177 Y HN 0.629 nan 8.280 nan 0.000 0.464 -176 A N 1.348 124.298 122.820 0.217 0.000 1.838 -176 A HA 0.337 4.657 4.320 -0.000 0.000 0.215 -176 A C -0.384 176.871 177.584 -0.549 0.000 1.273 -176 A CA 0.952 52.599 52.037 -0.649 0.000 0.602 -176 A CB -0.464 17.749 19.000 -1.310 0.000 0.934 -176 A HN 0.569 nan 8.150 nan 0.000 0.461 -175 F N -0.711 119.294 119.950 0.093 0.000 2.507 -175 F HA 0.556 5.083 4.527 -0.001 0.000 0.325 -175 F C 0.055 176.108 175.800 0.421 0.000 1.116 -175 F CA -1.037 57.108 58.000 0.241 0.000 0.930 -175 F CB 1.688 40.721 39.000 0.054 0.000 1.146 -175 F HN -0.002 nan 8.300 nan 0.000 0.447 -174 K N 1.980 122.684 120.400 0.506 0.000 2.326 -174 K HA 0.128 4.448 4.320 -0.000 0.000 0.275 -174 K C -1.529 175.262 176.600 0.319 0.000 1.018 -174 K CA -0.046 56.363 56.287 0.204 0.000 0.962 -174 K CB 0.231 32.745 32.500 0.023 0.000 0.953 -174 K HN 0.601 nan 8.250 nan 0.000 0.475 -173 Y N 3.853 124.197 120.300 0.073 0.000 2.385 -173 Y HA 0.306 4.856 4.550 -0.001 0.000 0.341 -173 Y C -0.717 175.130 175.900 -0.089 0.000 0.965 -173 Y CA -0.105 57.928 58.100 -0.112 0.000 1.180 -173 Y CB 0.753 39.048 38.460 -0.274 0.000 1.139 -173 Y HN 0.556 nan 8.280 nan 0.000 0.502 -172 E N 4.256 124.248 120.200 -0.347 0.000 2.383 -172 E HA 0.213 4.563 4.350 -0.000 0.000 0.275 -172 E C -0.692 175.685 176.600 -0.372 0.000 0.918 -172 E CA -0.840 55.418 56.400 -0.237 0.000 0.764 -172 E CB 1.578 31.225 29.700 -0.089 0.000 1.252 -172 E HN 0.769 nan 8.360 nan 0.000 0.449 -171 N N 0.829 119.378 118.700 -0.252 0.000 2.721 -171 N HA -0.240 4.500 4.740 -0.000 0.000 0.249 -171 N C 0.649 175.991 175.510 -0.281 0.000 1.072 -171 N CA 1.247 54.161 53.050 -0.226 0.000 0.710 -171 N CB -1.084 37.268 38.487 -0.225 0.000 0.993 -171 N HN 0.948 nan 8.380 nan 0.000 0.547 -170 G N -0.397 108.181 108.800 -0.370 0.000 2.160 -170 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.251 -170 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.251 -170 G C -0.037 174.538 174.900 -0.543 0.000 1.008 -170 G CA 1.202 46.107 45.100 -0.324 0.000 0.724 -170 G HN 0.933 nan 8.290 nan 0.000 0.514 -169 K N -1.822 117.960 120.400 -1.031 0.000 2.658 -169 K HA 0.441 4.761 4.320 -0.000 0.000 0.293 -169 K C -1.162 174.955 176.600 -0.806 0.000 1.026 -169 K CA -1.262 54.565 56.287 -0.768 0.000 0.871 -169 K CB 0.785 33.103 32.500 -0.303 0.000 1.524 -169 K HN 0.031 nan 8.250 nan 0.000 0.400 -168 Y N 1.301 121.493 120.300 -0.180 0.000 2.496 -168 Y HA 0.083 4.633 4.550 -0.000 0.000 0.334 -168 Y C 0.290 176.143 175.900 -0.079 0.000 1.080 -168 Y CA 0.324 58.396 58.100 -0.047 0.000 1.355 -168 Y CB 0.547 38.985 38.460 -0.035 0.000 1.193 -168 Y HN 0.529 nan 8.280 nan 0.000 0.523 -167 D N 4.696 125.201 120.400 0.175 0.000 2.393 -167 D HA 0.069 4.709 4.640 -0.000 0.000 0.232 -167 D C 0.952 177.400 176.300 0.246 0.000 1.192 -167 D CA -0.275 53.821 54.000 0.160 0.000 0.882 -167 D CB 0.341 41.260 40.800 0.198 0.000 1.038 -167 D HN 0.622 nan 8.370 nan 0.000 0.499 -166 I N 1.245 121.900 120.570 0.142 0.000 3.001 -166 I HA -0.029 4.141 4.170 -0.000 0.000 0.268 -166 I C 1.761 178.067 176.117 0.316 0.000 1.267 -166 I CA 0.542 61.942 61.300 0.167 0.000 1.472 -166 I CB 0.014 37.943 38.000 -0.119 0.000 1.089 -166 I HN 0.073 nan 8.210 nan 0.000 0.468 -165 K N 1.656 122.132 120.400 0.128 0.000 2.217 -165 K HA -0.086 4.233 4.320 -0.000 0.000 0.202 -165 K C 0.637 177.235 176.600 -0.003 0.000 1.051 -165 K CA 0.963 57.244 56.287 -0.010 0.000 0.952 -165 K CB -0.123 32.176 32.500 -0.334 0.000 0.736 -165 K HN 0.332 nan 8.250 nan 0.000 0.453 -164 D N 1.004 121.500 120.400 0.159 0.000 2.499 -164 D HA 0.125 4.765 4.640 -0.000 0.000 0.225 -164 D C -1.319 175.138 176.300 0.262 0.000 1.124 -164 D CA -0.316 53.786 54.000 0.169 0.000 0.938 -164 D CB 0.457 41.495 40.800 0.398 0.000 1.014 -164 D HN -0.172 nan 8.370 nan 0.000 0.517 -163 V N 2.068 121.999 119.914 0.028 0.000 2.427 -163 V HA 0.578 4.698 4.120 -0.000 0.000 0.286 -163 V C 1.294 177.206 176.094 -0.302 0.000 1.034 -163 V CA -0.726 61.517 62.300 -0.096 0.000 0.893 -163 V CB 1.851 33.644 31.823 -0.050 0.000 0.982 -163 V HN 0.546 nan 8.190 nan 0.000 0.452 -162 G N 2.403 110.786 108.800 -0.694 0.000 4.291 -162 G HA2 0.311 4.271 3.960 -0.000 0.000 0.304 -162 G HA3 0.311 4.271 3.960 -0.000 0.000 0.304 -162 G C 0.771 175.396 174.900 -0.459 0.000 1.264 -162 G CA 0.482 44.889 45.100 -1.155 0.000 1.039 -162 G HN 0.803 nan 8.290 nan 0.000 0.578 -161 V N -2.043 117.771 119.914 -0.166 0.000 3.354 -161 V HA 0.142 4.262 4.120 -0.000 0.000 0.258 -161 V C 1.115 177.192 176.094 -0.028 0.000 1.159 -161 V CA 1.356 63.667 62.300 0.019 0.000 1.125 -161 V CB 0.521 32.427 31.823 0.138 0.000 0.774 -161 V HN 0.299 nan 8.190 nan 0.000 0.464 -160 D N 1.214 121.574 120.400 -0.067 0.000 2.538 -160 D HA 0.092 4.732 4.640 -0.000 0.000 0.231 -160 D C 0.238 176.516 176.300 -0.036 0.000 1.229 -160 D CA -0.292 53.684 54.000 -0.040 0.000 0.828 -160 D CB -0.675 40.108 40.800 -0.028 0.000 1.035 -160 D HN 0.667 nan 8.370 nan 0.000 0.495 -159 N N 0.004 118.670 118.700 -0.056 0.000 2.408 -159 N HA 0.312 5.051 4.740 -0.000 0.000 0.260 -159 N C 1.352 176.861 175.510 -0.002 0.000 1.242 -159 N CA 0.025 53.065 53.050 -0.017 0.000 0.959 -159 N CB 0.698 39.180 38.487 -0.008 0.000 1.201 -159 N HN -0.099 nan 8.380 nan 0.000 0.511 -158 A N 0.126 122.959 122.820 0.023 0.000 1.948 -158 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 -158 A C 2.018 179.618 177.584 0.028 0.000 1.177 -158 A CA 2.113 54.166 52.037 0.027 0.000 0.636 -158 A CB -1.725 17.296 19.000 0.034 0.000 0.815 -158 A HN 0.834 nan 8.150 nan 0.000 0.449 -157 G N -0.789 108.025 108.800 0.023 0.000 2.418 -157 G HA2 0.028 3.988 3.960 -0.000 0.000 0.217 -157 G HA3 0.028 3.988 3.960 -0.000 0.000 0.217 -157 G C 1.749 176.640 174.900 -0.016 0.000 1.158 -157 G CA 1.412 46.525 45.100 0.022 0.000 0.771 -157 G HN 0.819 nan 8.290 nan 0.000 0.545 -156 A N 0.932 123.713 122.820 -0.064 0.000 1.898 -156 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 -156 A C 2.302 179.843 177.584 -0.071 0.000 1.181 -156 A CA 1.931 53.898 52.037 -0.117 0.000 0.620 -156 A CB -0.353 18.582 19.000 -0.109 0.000 0.819 -156 A HN 0.373 nan 8.150 nan 0.000 0.442 -155 K N -0.160 120.225 120.400 -0.026 0.000 2.063 -155 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 -155 K C 2.305 178.921 176.600 0.025 0.000 1.048 -155 K CA 1.198 57.484 56.287 -0.002 0.000 0.928 -155 K CB -0.364 32.143 32.500 0.012 0.000 0.713 -155 K HN 0.444 nan 8.250 nan 0.000 0.442 -154 A N 1.317 124.181 122.820 0.073 0.000 1.877 -154 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 -154 A C 2.457 180.133 177.584 0.152 0.000 1.186 -154 A CA 1.993 54.147 52.037 0.196 0.000 0.620 -154 A CB -1.283 17.881 19.000 0.274 0.000 0.822 -154 A HN 0.434 nan 8.150 nan 0.000 0.443 -153 G N -0.379 108.391 108.800 -0.050 0.000 2.421 -153 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.216 -153 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.216 -153 G C 1.493 176.179 174.900 -0.357 0.000 1.171 -153 G CA 1.239 46.033 45.100 -0.511 0.000 0.775 -153 G HN 0.469 nan 8.290 nan 0.000 0.543 -152 L N 0.892 122.008 121.223 -0.178 0.000 2.109 -152 L HA 0.068 4.407 4.340 -0.000 0.000 0.207 -152 L C 2.916 179.745 176.870 -0.067 0.000 1.086 -152 L CA 2.308 57.082 54.840 -0.109 0.000 0.760 -152 L CB -0.950 41.074 42.059 -0.058 0.000 0.910 -152 L HN 0.180 nan 8.230 nan 0.000 0.437 -151 T N -0.501 114.038 114.554 -0.025 0.000 2.699 -151 T HA -0.260 4.089 4.350 -0.000 0.000 0.268 -151 T C 1.654 176.363 174.700 0.015 0.000 1.036 -151 T CA 2.050 64.157 62.100 0.012 0.000 1.147 -151 T CB -0.576 68.331 68.868 0.064 0.000 0.862 -151 T HN 0.369 nan 8.240 nan 0.000 0.446 -150 F N 1.195 121.064 119.950 -0.135 0.000 2.134 -150 F HA -0.038 4.488 4.527 -0.000 0.000 0.299 -150 F C 2.002 177.721 175.800 -0.135 0.000 1.097 -150 F CA 0.810 58.723 58.000 -0.145 0.000 1.264 -150 F CB -0.461 38.319 39.000 -0.366 0.000 1.001 -150 F HN 0.035 nan 8.300 nan 0.000 0.479 -149 L N -0.218 120.938 121.223 -0.112 0.000 1.994 -149 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 -149 L C 2.271 179.081 176.870 -0.100 0.000 1.071 -149 L CA 1.683 56.466 54.840 -0.095 0.000 0.745 -149 L CB -0.911 41.111 42.059 -0.061 0.000 0.892 -149 L HN 0.026 nan 8.230 nan 0.000 0.431 -148 V N -0.055 119.807 119.914 -0.087 0.000 2.392 -148 V HA -0.309 3.811 4.120 -0.000 0.000 0.249 -148 V C 2.201 178.237 176.094 -0.097 0.000 1.059 -148 V CA 1.977 64.233 62.300 -0.074 0.000 1.051 -148 V CB -0.863 30.929 31.823 -0.051 0.000 0.658 -148 V HN 0.498 nan 8.190 nan 0.000 0.455 -147 D N -0.080 120.237 120.400 -0.139 0.000 2.178 -147 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 -147 D C 2.138 178.335 176.300 -0.172 0.000 0.974 -147 D CA 0.973 54.879 54.000 -0.158 0.000 0.841 -147 D CB -0.137 40.555 40.800 -0.181 0.000 0.953 -147 D HN 0.357 nan 8.370 nan 0.000 0.478 -146 L N 0.397 121.495 121.223 -0.209 0.000 2.083 -146 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 -146 L C 2.409 179.247 176.870 -0.053 0.000 1.083 -146 L CA 0.753 55.558 54.840 -0.058 0.000 0.752 -146 L CB -0.243 41.821 42.059 0.008 0.000 0.899 -146 L HN 0.018 nan 8.230 nan 0.000 0.433 -145 I N -0.667 119.858 120.570 -0.074 0.000 2.353 -145 I HA -0.229 3.940 4.170 -0.000 0.000 0.248 -145 I C 2.447 178.505 176.117 -0.098 0.000 1.119 -145 I CA 1.098 62.352 61.300 -0.076 0.000 1.417 -145 I CB -0.254 37.706 38.000 -0.066 0.000 1.078 -145 I HN 0.147 nan 8.210 nan 0.000 0.421 -144 K N 1.010 121.349 120.400 -0.101 0.000 2.057 -144 K HA -0.133 4.186 4.320 -0.000 0.000 0.207 -144 K C 1.183 177.699 176.600 -0.141 0.000 1.049 -144 K CA 1.620 57.848 56.287 -0.099 0.000 0.931 -144 K CB -0.357 32.096 32.500 -0.079 0.000 0.714 -144 K HN 0.421 nan 8.250 nan 0.000 0.440 -143 N N 0.750 119.324 118.700 -0.210 0.000 2.370 -143 N HA 0.032 4.772 4.740 -0.000 0.000 0.198 -143 N C -0.734 174.432 175.510 -0.574 0.000 1.156 -143 N CA -0.032 52.803 53.050 -0.360 0.000 0.839 -143 N CB 0.287 38.556 38.487 -0.365 0.000 0.989 -143 N HN 0.030 nan 8.380 nan 0.000 0.468 -142 K N -0.837 119.364 120.400 -0.331 0.000 3.069 -142 K HA -0.261 4.059 4.320 -0.000 0.000 0.267 -142 K C -0.381 176.107 176.600 -0.186 0.000 1.082 -142 K CA 0.643 56.801 56.287 -0.216 0.000 0.782 -142 K CB -1.832 30.580 32.500 -0.147 0.000 1.230 -142 K HN 0.625 nan 8.250 nan 0.000 0.488 -141 H N -0.970 118.097 119.070 -0.005 0.000 2.551 -141 H HA 0.247 4.803 4.556 -0.000 0.000 0.266 -141 H C 0.750 176.095 175.328 0.029 0.000 0.964 -141 H CA 0.354 56.413 56.048 0.019 0.000 1.180 -141 H CB 0.297 30.076 29.762 0.029 0.000 1.408 -141 H HN 0.130 nan 8.280 nan 0.000 0.563 -140 M N -0.170 119.476 119.600 0.076 0.000 2.569 -140 M HA 0.213 4.693 4.480 -0.000 0.000 0.279 -140 M C -1.217 175.067 176.300 -0.026 0.000 1.253 -140 M CA -0.845 54.471 55.300 0.027 0.000 0.867 -140 M CB 2.775 35.385 32.600 0.017 0.000 1.727 -140 M HN -0.016 nan 8.290 nan 0.000 0.467 -139 N N 0.292 118.965 118.700 -0.046 0.000 2.372 -139 N HA 0.486 5.226 4.740 -0.000 0.000 0.291 -139 N C 0.168 175.632 175.510 -0.075 0.000 1.024 -139 N CA 0.098 53.116 53.050 -0.053 0.000 0.873 -139 N CB 2.153 40.616 38.487 -0.041 0.000 1.206 -139 N HN 0.829 nan 8.380 nan 0.000 0.486 -138 A N 2.916 125.697 122.820 -0.066 0.000 2.024 -138 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 -138 A C 1.213 178.758 177.584 -0.064 0.000 1.164 -138 A CA 1.439 53.436 52.037 -0.068 0.000 0.643 -138 A CB -0.107 18.863 19.000 -0.051 0.000 0.806 -138 A HN 0.714 nan 8.150 nan 0.000 0.451 -137 D N -0.208 120.160 120.400 -0.053 0.000 2.312 -137 D HA 0.002 4.642 4.640 -0.000 0.000 0.211 -137 D C 0.306 176.577 176.300 -0.050 0.000 0.964 -137 D CA 0.674 54.649 54.000 -0.042 0.000 0.877 -137 D CB -0.484 40.298 40.800 -0.031 0.000 0.924 -137 D HN 0.285 nan 8.370 nan 0.000 0.515 -136 T N 2.598 117.108 114.554 -0.074 0.000 2.829 -136 T HA 0.136 4.486 4.350 -0.000 0.000 0.293 -136 T C 0.255 174.898 174.700 -0.094 0.000 0.970 -136 T CA -0.142 61.906 62.100 -0.086 0.000 1.168 -136 T CB 0.666 69.462 68.868 -0.121 0.000 0.911 -136 T HN 0.197 nan 8.240 nan 0.000 0.535 -135 D N 1.556 121.920 120.400 -0.060 0.000 2.616 -135 D HA 0.155 4.795 4.640 -0.000 0.000 0.260 -135 D C 1.057 177.337 176.300 -0.034 0.000 1.158 -135 D CA -1.030 52.949 54.000 -0.035 0.000 1.085 -135 D CB 0.112 40.919 40.800 0.012 0.000 1.222 -135 D HN 0.333 nan 8.370 nan 0.000 0.626 -134 Y N 0.361 120.597 120.300 -0.108 0.000 2.128 -134 Y HA -0.226 4.323 4.550 -0.001 0.000 0.284 -134 Y C 2.596 178.480 175.900 -0.027 0.000 1.154 -134 Y CA 3.283 61.320 58.100 -0.106 0.000 1.149 -134 Y CB -0.319 38.101 38.460 -0.068 0.000 0.976 -134 Y HN 0.443 nan 8.280 nan 0.000 0.505 -133 S N -0.227 115.575 115.700 0.170 0.000 2.383 -133 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 -133 S C 1.880 176.487 174.600 0.011 0.000 1.026 -133 S CA 1.336 59.602 58.200 0.110 0.000 0.981 -133 S CB -0.756 62.521 63.200 0.128 0.000 0.818 -133 S HN 0.381 nan 8.310 nan 0.000 0.472 -132 I N 3.085 123.651 120.570 -0.006 0.000 2.202 -132 I HA -0.023 4.147 4.170 -0.000 0.000 0.242 -132 I C 3.068 179.166 176.117 -0.031 0.000 1.091 -132 I CA 1.005 62.296 61.300 -0.015 0.000 1.368 -132 I CB -2.039 35.949 38.000 -0.020 0.000 1.058 -132 I HN 0.430 nan 8.210 nan 0.000 0.410 -131 A N 0.301 123.076 122.820 -0.075 0.000 1.902 -131 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 -131 A C 2.399 179.948 177.584 -0.058 0.000 1.181 -131 A CA 1.793 53.790 52.037 -0.067 0.000 0.623 -131 A CB -0.679 18.252 19.000 -0.115 0.000 0.818 -131 A HN 0.528 nan 8.150 nan 0.000 0.443 -130 E N -0.069 120.035 120.200 -0.160 0.000 2.072 -130 E HA -0.100 4.249 4.350 -0.000 0.000 0.191 -130 E C 2.140 178.751 176.600 0.017 0.000 0.985 -130 E CA 1.004 57.338 56.400 -0.111 0.000 0.801 -130 E CB -0.271 29.309 29.700 -0.200 0.000 0.750 -130 E HN 0.502 nan 8.360 nan 0.000 0.452 -129 A N 1.460 124.287 122.820 0.011 0.000 1.883 -129 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 -129 A C 2.441 180.043 177.584 0.030 0.000 1.186 -129 A CA 2.022 54.075 52.037 0.026 0.000 0.624 -129 A CB -0.931 18.082 19.000 0.021 0.000 0.822 -129 A HN 0.437 nan 8.150 nan 0.000 0.444 -128 A N -1.115 121.727 122.820 0.036 0.000 1.865 -128 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 -128 A C 2.113 179.728 177.584 0.052 0.000 1.191 -128 A CA 1.712 53.773 52.037 0.040 0.000 0.623 -128 A CB -0.866 18.163 19.000 0.050 0.000 0.826 -128 A HN 0.680 nan 8.150 nan 0.000 0.444 -127 F N 1.291 121.225 119.950 -0.026 0.000 2.069 -127 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 -127 F C 2.133 177.913 175.800 -0.033 0.000 1.113 -127 F CA 2.342 60.327 58.000 -0.025 0.000 1.214 -127 F CB -0.410 38.567 39.000 -0.038 0.000 0.978 -127 F HN 0.326 nan 8.300 nan 0.000 0.474 -126 N N -0.227 118.518 118.700 0.076 0.000 2.364 -126 N HA -0.154 4.585 4.740 -0.000 0.000 0.183 -126 N C 1.215 176.677 175.510 -0.079 0.000 1.022 -126 N CA 0.787 53.834 53.050 -0.004 0.000 0.883 -126 N CB -0.149 38.373 38.487 0.059 0.000 0.965 -126 N HN 0.352 nan 8.380 nan 0.000 0.438 -125 K N 0.046 120.404 120.400 -0.070 0.000 2.444 -125 K HA 0.085 4.405 4.320 -0.000 0.000 0.193 -125 K C 0.808 177.346 176.600 -0.104 0.000 1.024 -125 K CA 0.145 56.393 56.287 -0.066 0.000 1.077 -125 K CB 0.587 33.068 32.500 -0.032 0.000 0.833 -125 K HN 0.201 nan 8.250 nan 0.000 0.517 -124 G N 1.668 110.355 108.800 -0.189 0.000 2.136 -124 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 -124 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 -124 G C 0.413 175.229 174.900 -0.140 0.000 0.989 -124 G CA 0.351 45.324 45.100 -0.213 0.000 0.682 -124 G HN 0.447 nan 8.290 nan 0.000 0.522 -123 E N -0.872 119.268 120.200 -0.100 0.000 2.340 -123 E HA 0.140 4.489 4.350 -0.000 0.000 0.194 -123 E C 1.009 177.603 176.600 -0.009 0.000 0.996 -123 E CA 0.949 57.325 56.400 -0.039 0.000 0.869 -123 E CB 0.502 30.193 29.700 -0.015 0.000 0.835 -123 E HN 0.334 nan 8.360 nan 0.000 0.493 -122 T N -1.264 113.289 114.554 -0.002 0.000 2.876 -122 T HA 0.465 4.815 4.350 -0.000 0.000 0.289 -122 T C 0.355 175.112 174.700 0.096 0.000 1.014 -122 T CA -0.249 61.899 62.100 0.079 0.000 0.986 -122 T CB 1.686 70.645 68.868 0.152 0.000 1.021 -122 T HN -0.015 nan 8.240 nan 0.000 0.458 -121 A N 4.571 127.467 122.820 0.127 0.000 2.066 -121 A HA 0.394 4.714 4.320 -0.000 0.000 0.218 -121 A C 0.812 178.617 177.584 0.368 0.000 1.157 -121 A CA 0.804 52.940 52.037 0.165 0.000 0.670 -121 A CB -0.257 18.814 19.000 0.118 0.000 0.804 -121 A HN 0.752 nan 8.150 nan 0.000 0.453 -120 M N -2.079 117.747 119.600 0.376 0.000 2.531 -120 M HA 0.446 4.926 4.480 -0.000 0.000 0.286 -120 M C -0.656 175.767 176.300 0.204 0.000 1.232 -120 M CA -0.204 55.285 55.300 0.315 0.000 0.877 -120 M CB 2.613 35.291 32.600 0.131 0.000 1.726 -120 M HN 0.061 nan 8.290 nan 0.000 0.463 -119 T N 1.277 115.776 114.554 -0.091 0.000 2.841 -119 T HA 0.794 5.144 4.350 -0.000 0.000 0.296 -119 T C -1.848 172.777 174.700 -0.124 0.000 1.166 -119 T CA -0.556 61.480 62.100 -0.106 0.000 1.007 -119 T CB 1.393 70.096 68.868 -0.275 0.000 1.253 -119 T HN 0.569 nan 8.240 nan 0.000 0.511 -118 I N 3.636 124.191 120.570 -0.025 0.000 2.410 -118 I HA 0.540 4.710 4.170 -0.000 0.000 0.286 -118 I C -0.254 175.959 176.117 0.161 0.000 1.009 -118 I CA -0.714 60.572 61.300 -0.024 0.000 1.111 -118 I CB 1.543 39.421 38.000 -0.205 0.000 1.262 -118 I HN 0.481 nan 8.210 nan 0.000 0.443 -117 N N 3.039 121.785 118.700 0.077 0.000 3.046 -117 N HA 0.508 5.248 4.740 -0.000 0.000 0.243 -117 N C -0.853 174.513 175.510 -0.240 0.000 1.452 -117 N CA -0.360 52.749 53.050 0.098 0.000 0.882 -117 N CB 2.480 40.961 38.487 -0.010 0.000 1.425 -117 N HN 0.628 nan 8.380 nan 0.000 0.517 -116 G N 0.148 108.450 108.800 -0.830 0.000 2.511 -116 G HA2 0.438 4.397 3.960 -0.000 0.000 0.316 -116 G HA3 0.438 4.397 3.960 -0.000 0.000 0.316 -116 G C -1.835 172.039 174.900 -1.709 0.000 1.210 -116 G CA -1.123 43.067 45.100 -1.516 0.000 0.969 -116 G HN 0.341 nan 8.290 nan 0.000 0.492 -115 P HA -0.139 nan 4.420 nan 0.000 0.217 -115 P C 1.393 177.922 177.300 -1.286 0.000 1.148 -115 P CA 1.693 63.528 63.100 -2.108 0.000 0.828 -115 P CB -0.021 30.897 31.700 -1.304 0.000 0.783 -114 W N -0.148 120.860 121.300 -0.486 0.000 2.364 -114 W HA -0.012 4.648 4.660 -0.000 0.000 0.281 -114 W C 1.904 178.339 176.519 -0.141 0.000 1.219 -114 W CA 0.999 58.198 57.345 -0.243 0.000 1.220 -114 W CB -1.882 27.488 29.460 -0.149 0.000 1.127 -114 W HN -0.128 nan 8.180 nan 0.000 0.556 -113 A N 0.063 122.626 122.820 -0.428 0.000 2.072 -113 A HA 0.016 4.335 4.320 -0.000 0.000 0.216 -113 A C 1.604 179.187 177.584 -0.003 0.000 1.156 -113 A CA 0.872 52.853 52.037 -0.093 0.000 0.701 -113 A CB -1.205 17.701 19.000 -0.156 0.000 0.816 -113 A HN 0.408 nan 8.150 nan 0.000 0.458 -112 W N 0.522 121.753 121.300 -0.115 0.000 2.350 -112 W HA -0.137 4.522 4.660 -0.001 0.000 0.289 -112 W C 2.749 179.247 176.519 -0.035 0.000 1.215 -112 W CA 0.787 58.072 57.345 -0.100 0.000 1.236 -112 W CB -1.444 28.052 29.460 0.060 0.000 1.130 -112 W HN 0.477 nan 8.180 nan 0.000 0.541 -111 S N 1.000 116.829 115.700 0.215 0.000 2.356 -111 S HA -0.192 4.277 4.470 -0.000 0.000 0.223 -111 S C 1.716 176.377 174.600 0.101 0.000 1.032 -111 S CA 1.735 60.026 58.200 0.152 0.000 1.005 -111 S CB -0.400 62.865 63.200 0.109 0.000 0.867 -111 S HN 0.137 nan 8.310 nan 0.000 0.449 -110 N N 1.586 120.336 118.700 0.082 0.000 2.309 -110 N HA 0.063 4.803 4.740 -0.000 0.000 0.182 -110 N C 1.703 177.235 175.510 0.037 0.000 1.018 -110 N CA 1.308 54.396 53.050 0.063 0.000 0.876 -110 N CB -0.506 38.028 38.487 0.079 0.000 0.972 -110 N HN 0.585 nan 8.380 nan 0.000 0.434 -109 I N 0.535 121.096 120.570 -0.016 0.000 2.439 -109 I HA -0.148 4.022 4.170 -0.000 0.000 0.251 -109 I C 1.284 177.403 176.117 0.002 0.000 1.139 -109 I CA 0.841 62.074 61.300 -0.112 0.000 1.438 -109 I CB -0.236 37.448 38.000 -0.528 0.000 1.085 -109 I HN -0.117 nan 8.210 nan 0.000 0.427 -108 D N 1.015 121.476 120.400 0.103 0.000 2.149 -108 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 -108 D C 2.226 178.587 176.300 0.102 0.000 0.990 -108 D CA 1.564 55.669 54.000 0.174 0.000 0.839 -108 D CB -0.390 40.515 40.800 0.176 0.000 0.948 -108 D HN 0.248 nan 8.370 nan 0.000 0.460 -107 T N -0.136 114.462 114.554 0.073 0.000 2.867 -107 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 -107 T C 2.018 176.742 174.700 0.040 0.000 1.057 -107 T CA 1.426 63.557 62.100 0.052 0.000 1.136 -107 T CB -0.159 68.735 68.868 0.044 0.000 0.874 -107 T HN 0.231 nan 8.240 nan 0.000 0.466 -106 S N 1.795 117.518 115.700 0.037 0.000 2.496 -106 S HA -0.026 4.444 4.470 -0.000 0.000 0.224 -106 S C 1.095 175.705 174.600 0.015 0.000 0.996 -106 S CA 0.618 58.829 58.200 0.019 0.000 0.927 -106 S CB -0.580 62.623 63.200 0.006 0.000 0.774 -106 S HN 0.723 nan 8.310 nan 0.000 0.524 -105 K N -0.475 119.949 120.400 0.040 0.000 3.071 -105 K HA -0.144 4.176 4.320 -0.000 0.000 0.265 -105 K C -0.744 175.866 176.600 0.017 0.000 1.060 -105 K CA 0.593 56.902 56.287 0.037 0.000 0.767 -105 K CB -2.748 29.764 32.500 0.019 0.000 1.241 -105 K HN 0.267 nan 8.250 nan 0.000 0.486 -104 V N 1.782 121.709 119.914 0.021 0.000 2.530 -104 V HA 0.068 4.188 4.120 -0.000 0.000 0.282 -104 V C 0.639 176.785 176.094 0.087 0.000 1.048 -104 V CA -0.427 61.862 62.300 -0.018 0.000 0.997 -104 V CB 1.256 32.994 31.823 -0.143 0.000 0.987 -104 V HN 0.445 nan 8.190 nan 0.000 0.477 -103 N N 5.296 124.007 118.700 0.018 0.000 2.402 -103 N HA 0.120 4.860 4.740 -0.000 0.000 0.259 -103 N C -0.874 174.634 175.510 -0.002 0.000 1.167 -103 N CA -0.075 52.971 53.050 -0.006 0.000 0.949 -103 N CB -0.093 38.363 38.487 -0.052 0.000 1.212 -103 N HN 0.597 nan 8.380 nan 0.000 0.493 -102 Y N 0.641 120.861 120.300 -0.132 0.000 2.468 -102 Y HA 0.851 5.400 4.550 -0.000 0.000 0.342 -102 Y C 0.263 175.940 175.900 -0.372 0.000 1.021 -102 Y CA -1.500 56.493 58.100 -0.177 0.000 1.079 -102 Y CB 0.874 39.376 38.460 0.070 0.000 1.226 -102 Y HN 0.281 nan 8.280 nan 0.000 0.460 -101 G N 1.226 109.609 108.800 -0.695 0.000 2.473 -101 G HA2 0.608 4.567 3.960 -0.000 0.000 0.321 -101 G HA3 0.608 4.567 3.960 -0.000 0.000 0.321 -101 G C -1.936 172.774 174.900 -0.317 0.000 1.200 -101 G CA -1.182 43.492 45.100 -0.710 0.000 0.963 -101 G HN 0.690 nan 8.290 nan 0.000 0.483 -100 V N 0.237 120.071 119.914 -0.134 0.000 2.487 -100 V HA 0.765 4.884 4.120 -0.000 0.000 0.298 -100 V C 0.217 176.366 176.094 0.093 0.000 1.028 -100 V CA -0.498 61.809 62.300 0.011 0.000 0.860 -100 V CB 1.307 33.054 31.823 -0.127 0.000 0.991 -100 V HN 0.916 nan 8.190 nan 0.000 0.427 -99 T N 2.578 117.213 114.554 0.136 0.000 2.778 -99 T HA 0.582 4.931 4.350 -0.000 0.000 0.293 -99 T C -0.653 174.057 174.700 0.016 0.000 1.144 -99 T CA -0.373 61.770 62.100 0.072 0.000 1.010 -99 T CB 1.903 70.804 68.868 0.055 0.000 1.325 -99 T HN 0.374 nan 8.240 nan 0.000 0.515 -98 V N 3.220 123.124 119.914 -0.015 0.000 2.788 -98 V HA 0.169 4.289 4.120 -0.000 0.000 0.307 -98 V C 0.885 176.942 176.094 -0.063 0.000 1.069 -98 V CA -0.013 62.271 62.300 -0.027 0.000 1.173 -98 V CB -0.189 31.614 31.823 -0.033 0.000 0.925 -98 V HN 0.668 nan 8.190 nan 0.000 0.492 -97 L N 6.053 127.245 121.223 -0.052 0.000 2.482 -97 L HA 0.209 4.549 4.340 -0.000 0.000 0.273 -97 L C -1.946 174.845 176.870 -0.131 0.000 1.228 -97 L CA -1.224 53.558 54.840 -0.097 0.000 0.827 -97 L CB 0.075 42.124 42.059 -0.016 0.000 1.099 -97 L HN 0.488 nan 8.230 nan 0.000 0.494 -96 P HA 0.080 nan 4.420 nan 0.000 0.272 -96 P C -0.638 176.661 177.300 -0.001 0.000 1.223 -96 P CA -0.477 62.450 63.100 -0.289 0.000 0.784 -96 P CB 0.456 31.716 31.700 -0.733 0.000 0.923 -95 T N -0.941 113.644 114.554 0.052 0.000 2.868 -95 T HA 0.494 4.844 4.350 -0.000 0.000 0.292 -95 T C -0.711 174.182 174.700 0.322 0.000 1.028 -95 T CA -0.298 61.891 62.100 0.148 0.000 1.059 -95 T CB 0.142 69.037 68.868 0.046 0.000 0.991 -95 T HN 0.224 nan 8.240 nan 0.000 0.531 -94 F N 1.424 121.416 119.950 0.069 0.000 2.539 -94 F HA 0.497 5.024 4.527 -0.000 0.000 0.318 -94 F C 0.357 176.100 175.800 -0.095 0.000 1.135 -94 F CA -1.253 56.711 58.000 -0.061 0.000 0.915 -94 F CB 1.334 40.203 39.000 -0.219 0.000 1.176 -94 F HN 0.903 nan 8.300 nan 0.000 0.440 -93 K N 4.612 124.583 120.400 -0.715 0.000 3.077 -93 K HA -0.188 4.132 4.320 -0.000 0.000 0.264 -93 K C 0.924 177.374 176.600 -0.250 0.000 1.008 -93 K CA 0.850 56.805 56.287 -0.552 0.000 0.740 -93 K CB -1.615 30.453 32.500 -0.720 0.000 1.273 -93 K HN 1.449 nan 8.250 nan 0.000 0.477 -92 G N -0.377 108.331 108.800 -0.154 0.000 2.189 -92 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.267 -92 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.267 -92 G C -0.041 174.828 174.900 -0.051 0.000 0.975 -92 G CA 0.991 46.041 45.100 -0.083 0.000 0.644 -92 G HN 0.461 nan 8.290 nan 0.000 0.537 -91 Q N 0.960 120.733 119.800 -0.045 0.000 2.274 -91 Q HA 0.515 4.855 4.340 -0.000 0.000 0.260 -91 Q C -2.291 173.729 176.000 0.033 0.000 0.974 -91 Q CA -2.149 53.647 55.803 -0.011 0.000 0.876 -91 Q CB 2.349 31.075 28.738 -0.020 0.000 1.297 -91 Q HN 0.199 nan 8.270 nan 0.000 0.446 -90 P HA -0.051 nan 4.420 nan 0.000 0.267 -90 P C -0.734 176.605 177.300 0.065 0.000 1.200 -90 P CA 0.073 63.199 63.100 0.043 0.000 0.772 -90 P CB 0.707 32.420 31.700 0.022 0.000 0.855 -89 S N 2.303 118.065 115.700 0.104 0.000 2.560 -89 S HA 0.076 4.546 4.470 -0.000 0.000 0.284 -89 S C 0.497 175.118 174.600 0.035 0.000 1.327 -89 S CA -0.120 58.138 58.200 0.096 0.000 1.055 -89 S CB -0.028 63.290 63.200 0.196 0.000 0.868 -89 S HN 0.305 nan 8.310 nan 0.000 0.506 -88 K N 3.283 123.672 120.400 -0.018 0.000 2.540 -88 K HA 0.276 4.595 4.320 -0.000 0.000 0.218 -88 K C -2.790 173.823 176.600 0.022 0.000 1.017 -88 K CA -1.769 54.513 56.287 -0.007 0.000 1.029 -88 K CB 1.166 33.639 32.500 -0.043 0.000 1.348 -88 K HN 0.381 nan 8.250 nan 0.000 0.508 -87 P HA 0.064 nan 4.420 nan 0.000 0.271 -87 P C -0.446 177.028 177.300 0.290 0.000 1.218 -87 P CA -0.365 62.817 63.100 0.137 0.000 0.780 -87 P CB 0.463 32.206 31.700 0.072 0.000 0.901 -86 F N 1.663 121.822 119.950 0.348 0.000 2.472 -86 F HA 0.078 4.605 4.527 -0.001 0.000 0.364 -86 F C 0.518 176.531 175.800 0.355 0.000 1.090 -86 F CA -0.481 57.744 58.000 0.375 0.000 1.188 -86 F CB 0.199 39.460 39.000 0.435 0.000 1.105 -86 F HN -0.029 nan 8.300 nan 0.000 0.536 -85 V N 4.583 124.856 119.914 0.598 0.000 2.461 -85 V HA 0.557 4.676 4.120 -0.000 0.000 0.275 -85 V C 0.598 176.971 176.094 0.465 0.000 1.047 -85 V CA -0.589 61.976 62.300 0.441 0.000 0.955 -85 V CB 0.934 32.961 31.823 0.340 0.000 0.988 -85 V HN 0.853 nan 8.190 nan 0.000 0.471 -84 G N 3.199 112.246 108.800 0.412 0.000 2.420 -84 G HA2 0.588 4.547 3.960 -0.000 0.000 0.331 -84 G HA3 0.588 4.547 3.960 -0.000 0.000 0.331 -84 G C -1.102 173.973 174.900 0.291 0.000 1.168 -84 G CA -0.490 44.842 45.100 0.386 0.000 0.936 -84 G HN 0.535 nan 8.290 nan 0.000 0.479 -83 V N 3.190 123.310 119.914 0.344 0.000 2.313 -83 V HA 0.191 4.311 4.120 -0.000 0.000 0.278 -83 V C 0.144 176.303 176.094 0.109 0.000 1.017 -83 V CA -0.743 61.608 62.300 0.085 0.000 0.823 -83 V CB 0.981 32.697 31.823 -0.179 0.000 1.010 -83 V HN 0.715 nan 8.190 nan 0.000 0.443 -82 L N 5.858 127.119 121.223 0.062 0.000 2.584 -82 L HA 0.268 4.608 4.340 -0.000 0.000 0.272 -82 L C 0.342 177.245 176.870 0.055 0.000 1.195 -82 L CA 1.384 56.263 54.840 0.064 0.000 0.920 -82 L CB 0.358 42.460 42.059 0.071 0.000 1.173 -82 L HN 0.706 nan 8.230 nan 0.000 0.489 -81 S N 3.441 119.164 115.700 0.037 0.000 2.570 -81 S HA 0.888 5.358 4.470 -0.000 0.000 0.286 -81 S C -0.777 173.638 174.600 -0.308 0.000 1.099 -81 S CA -0.362 57.722 58.200 -0.195 0.000 0.913 -81 S CB 1.857 64.782 63.200 -0.459 0.000 1.085 -81 S HN 0.917 nan 8.310 nan 0.000 0.480 -80 A N 1.357 123.903 122.820 -0.458 0.000 2.291 -80 A HA 0.788 5.108 4.320 -0.000 0.000 0.311 -80 A C 0.204 177.638 177.584 -0.251 0.000 1.224 -80 A CA -0.586 51.071 52.037 -0.635 0.000 0.821 -80 A CB 0.444 18.894 19.000 -0.917 0.000 1.172 -80 A HN 0.908 nan 8.150 nan 0.000 0.494 -79 G N 1.167 109.958 108.800 -0.016 0.000 2.417 -79 G HA2 0.595 4.554 3.960 -0.000 0.000 0.334 -79 G HA3 0.595 4.554 3.960 -0.000 0.000 0.334 -79 G C -0.631 174.312 174.900 0.072 0.000 1.150 -79 G CA -0.637 44.572 45.100 0.182 0.000 0.923 -79 G HN 0.677 nan 8.290 nan 0.000 0.485 -78 I N 1.484 122.114 120.570 0.100 0.000 2.359 -78 I HA 0.150 4.320 4.170 -0.000 0.000 0.294 -78 I C 0.018 176.186 176.117 0.085 0.000 0.987 -78 I CA -0.982 60.355 61.300 0.063 0.000 1.225 -78 I CB 1.666 39.718 38.000 0.085 0.000 1.366 -78 I HN 0.334 nan 8.210 nan 0.000 0.466 -77 N N 4.527 123.269 118.700 0.069 0.000 2.447 -77 N HA 0.047 4.787 4.740 -0.000 0.000 0.263 -77 N C 0.829 176.383 175.510 0.073 0.000 1.226 -77 N CA 0.283 53.422 53.050 0.148 0.000 0.906 -77 N CB 1.522 40.074 38.487 0.108 0.000 1.060 -77 N HN 0.779 nan 8.380 nan 0.000 0.468 -76 A N 3.621 126.481 122.820 0.068 0.000 2.125 -76 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 -76 A C 1.720 179.301 177.584 -0.005 0.000 1.156 -76 A CA 1.628 53.683 52.037 0.029 0.000 0.671 -76 A CB -0.388 18.625 19.000 0.022 0.000 0.794 -76 A HN 0.747 nan 8.150 nan 0.000 0.459 -75 A N -0.833 121.970 122.820 -0.029 0.000 2.267 -75 A HA 0.370 4.689 4.320 -0.000 0.000 0.213 -75 A C 1.290 178.850 177.584 -0.040 0.000 1.192 -75 A CA 0.648 52.655 52.037 -0.050 0.000 0.851 -75 A CB -0.363 18.582 19.000 -0.092 0.000 0.881 -75 A HN 0.442 nan 8.150 nan 0.000 0.494 -74 S N 1.368 117.052 115.700 -0.025 0.000 2.510 -74 S HA 0.290 4.760 4.470 -0.000 0.000 0.279 -74 S C -1.327 173.265 174.600 -0.013 0.000 1.284 -74 S CA -0.999 57.186 58.200 -0.025 0.000 1.059 -74 S CB 0.787 63.975 63.200 -0.020 0.000 0.901 -74 S HN 0.284 nan 8.310 nan 0.000 0.491 -73 P HA 0.125 nan 4.420 nan 0.000 0.249 -73 P C -0.224 177.079 177.300 0.005 0.000 1.229 -73 P CA 0.226 63.323 63.100 -0.005 0.000 0.788 -73 P CB -0.014 31.680 31.700 -0.009 0.000 1.072 -72 N N 0.283 118.987 118.700 0.005 0.000 2.389 -72 N HA 0.110 4.850 4.740 -0.000 0.000 0.260 -72 N C 1.080 176.608 175.510 0.029 0.000 1.191 -72 N CA -0.201 52.861 53.050 0.019 0.000 0.885 -72 N CB 0.384 38.878 38.487 0.011 0.000 1.162 -72 N HN 0.198 nan 8.380 nan 0.000 0.512 -71 K N 0.999 121.416 120.400 0.029 0.000 2.113 -71 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 -71 K C 1.105 177.737 176.600 0.054 0.000 1.047 -71 K CA 1.466 57.777 56.287 0.040 0.000 0.928 -71 K CB 0.262 32.784 32.500 0.038 0.000 0.716 -71 K HN 0.185 nan 8.250 nan 0.000 0.446 -70 E N 0.741 120.974 120.200 0.055 0.000 2.076 -70 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 -70 E C 1.938 178.596 176.600 0.097 0.000 0.979 -70 E CA 0.632 57.072 56.400 0.067 0.000 0.807 -70 E CB -0.081 29.655 29.700 0.059 0.000 0.761 -70 E HN 0.150 nan 8.360 nan 0.000 0.454 -69 L N 0.581 121.872 121.223 0.114 0.000 2.046 -69 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 -69 L C 2.459 179.404 176.870 0.126 0.000 1.077 -69 L CA 1.189 56.146 54.840 0.196 0.000 0.747 -69 L CB -0.546 41.632 42.059 0.198 0.000 0.896 -69 L HN 0.186 nan 8.230 nan 0.000 0.432 -68 A N 0.085 122.937 122.820 0.052 0.000 1.908 -68 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 -68 A C 2.398 179.998 177.584 0.027 0.000 1.181 -68 A CA 2.167 54.212 52.037 0.013 0.000 0.627 -68 A CB -0.501 18.507 19.000 0.012 0.000 0.818 -68 A HN 0.371 nan 8.150 nan 0.000 0.445 -67 K N -0.287 120.136 120.400 0.038 0.000 2.026 -67 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 -67 K C 2.084 178.652 176.600 -0.053 0.000 1.048 -67 K CA 1.715 57.998 56.287 -0.006 0.000 0.929 -67 K CB -0.216 32.316 32.500 0.052 0.000 0.713 -67 K HN 0.613 nan 8.250 nan 0.000 0.439 -66 E N -0.239 119.997 120.200 0.061 0.000 2.058 -66 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 -66 E C 1.883 178.588 176.600 0.175 0.000 0.997 -66 E CA 1.431 57.926 56.400 0.158 0.000 0.801 -66 E CB -0.257 29.641 29.700 0.330 0.000 0.746 -66 E HN 0.398 nan 8.360 nan 0.000 0.450 -65 F N 1.052 120.887 119.950 -0.190 0.000 2.069 -65 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 -65 F C 1.910 177.607 175.800 -0.171 0.000 1.113 -65 F CA 1.591 59.306 58.000 -0.475 0.000 1.214 -65 F CB -0.142 38.303 39.000 -0.925 0.000 0.978 -65 F HN 0.007 nan 8.300 nan 0.000 0.474 -64 L N -0.047 121.047 121.223 -0.215 0.000 2.027 -64 L HA -0.169 4.170 4.340 -0.000 0.000 0.206 -64 L C 2.462 179.103 176.870 -0.382 0.000 1.074 -64 L CA 1.670 56.288 54.840 -0.371 0.000 0.745 -64 L CB -0.771 40.988 42.059 -0.499 0.000 0.898 -64 L HN 0.176 nan 8.230 nan 0.000 0.433 -63 E N -0.062 119.886 120.200 -0.420 0.000 2.072 -63 E HA -0.126 4.223 4.350 -0.000 0.000 0.190 -63 E C 1.528 178.068 176.600 -0.101 0.000 0.982 -63 E CA 0.951 57.122 56.400 -0.382 0.000 0.803 -63 E CB 0.016 29.281 29.700 -0.724 0.000 0.755 -63 E HN 0.458 nan 8.360 nan 0.000 0.453 -62 N N -0.999 117.626 118.700 -0.125 0.000 2.325 -62 N HA 0.028 4.768 4.740 -0.000 0.000 0.182 -62 N C 0.642 175.893 175.510 -0.432 0.000 1.088 -62 N CA 0.629 53.561 53.050 -0.197 0.000 0.879 -62 N CB 0.370 38.760 38.487 -0.163 0.000 0.983 -62 N HN 0.209 nan 8.380 nan 0.000 0.471 -61 Y N -0.751 119.425 120.300 -0.207 0.000 2.769 -61 Y HA 0.231 4.781 4.550 -0.000 0.000 0.266 -61 Y C 1.722 177.402 175.900 -0.366 0.000 1.091 -61 Y CA -0.355 57.586 58.100 -0.266 0.000 1.272 -61 Y CB -0.233 38.045 38.460 -0.304 0.000 1.469 -61 Y HN -0.141 nan 8.280 nan 0.000 0.475 -60 L N 0.441 121.407 121.223 -0.427 0.000 2.007 -60 L HA 0.044 4.384 4.340 -0.000 0.000 0.205 -60 L C 0.887 177.678 176.870 -0.132 0.000 1.073 -60 L CA 1.821 56.471 54.840 -0.317 0.000 0.744 -60 L CB -0.599 41.256 42.059 -0.340 0.000 0.898 -60 L HN 0.138 nan 8.230 nan 0.000 0.435 -59 L N 1.514 122.684 121.223 -0.089 0.000 2.650 -59 L HA 0.145 4.484 4.340 -0.000 0.000 0.239 -59 L C -0.053 176.811 176.870 -0.011 0.000 1.412 -59 L CA -0.085 54.753 54.840 -0.004 0.000 1.219 -59 L CB -1.544 40.579 42.059 0.107 0.000 1.534 -59 L HN 0.448 nan 8.230 nan 0.000 0.430 -58 T N -6.536 107.980 114.554 -0.063 0.000 2.907 -58 T HA 0.290 4.640 4.350 -0.000 0.000 0.290 -58 T C 0.660 175.281 174.700 -0.133 0.000 1.066 -58 T CA -0.880 61.171 62.100 -0.082 0.000 1.012 -58 T CB 2.006 70.812 68.868 -0.103 0.000 1.184 -58 T HN -0.058 nan 8.240 nan 0.000 0.522 -57 D N 0.620 120.927 120.400 -0.154 0.000 2.116 -57 D HA -0.096 4.544 4.640 -0.000 0.000 0.193 -57 D C 1.785 177.834 176.300 -0.418 0.000 0.998 -57 D CA 1.643 55.459 54.000 -0.307 0.000 0.836 -57 D CB -0.062 40.631 40.800 -0.179 0.000 0.951 -57 D HN 0.724 nan 8.370 nan 0.000 0.449 -56 E N -0.040 120.022 120.200 -0.230 0.000 2.072 -56 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 -56 E C 2.202 178.715 176.600 -0.145 0.000 0.982 -56 E CA 1.039 57.335 56.400 -0.173 0.000 0.803 -56 E CB -0.628 29.018 29.700 -0.090 0.000 0.755 -56 E HN 0.288 nan 8.360 nan 0.000 0.453 -55 G N 0.912 109.638 108.800 -0.123 0.000 2.421 -55 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.216 -55 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.216 -55 G C 1.529 176.378 174.900 -0.084 0.000 1.171 -55 G CA 0.675 45.723 45.100 -0.086 0.000 0.775 -55 G HN 0.144 nan 8.290 nan 0.000 0.543 -54 L N -0.036 121.114 121.223 -0.121 0.000 2.156 -54 L HA 0.031 4.371 4.340 -0.000 0.000 0.208 -54 L C 2.708 179.554 176.870 -0.039 0.000 1.095 -54 L CA 1.119 55.934 54.840 -0.042 0.000 0.770 -54 L CB -0.309 41.782 42.059 0.053 0.000 0.914 -54 L HN 0.318 nan 8.230 nan 0.000 0.439 -53 E N 0.450 120.484 120.200 -0.275 0.000 2.150 -53 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 -53 E C 2.229 178.823 176.600 -0.010 0.000 0.985 -53 E CA 0.989 57.301 56.400 -0.146 0.000 0.814 -53 E CB 0.082 29.605 29.700 -0.295 0.000 0.752 -53 E HN 0.461 nan 8.360 nan 0.000 0.466 -52 A N 0.302 123.104 122.820 -0.030 0.000 1.902 -52 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 -52 A C 2.331 179.925 177.584 0.017 0.000 1.181 -52 A CA 1.342 53.382 52.037 0.004 0.000 0.623 -52 A CB -0.474 18.532 19.000 0.009 0.000 0.818 -52 A HN 0.208 nan 8.150 nan 0.000 0.443 -51 V N 0.356 120.282 119.914 0.019 0.000 2.379 -51 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 -51 V C 2.333 178.451 176.094 0.040 0.000 1.044 -51 V CA 2.177 64.486 62.300 0.014 0.000 1.036 -51 V CB -1.086 30.741 31.823 0.007 0.000 0.664 -51 V HN 0.702 nan 8.190 nan 0.000 0.453 -50 N N 0.997 119.751 118.700 0.090 0.000 2.188 -50 N HA -0.202 4.537 4.740 -0.000 0.000 0.184 -50 N C 1.714 177.294 175.510 0.117 0.000 1.018 -50 N CA 1.395 54.526 53.050 0.134 0.000 0.858 -50 N CB -0.100 38.536 38.487 0.249 0.000 0.989 -50 N HN 0.592 nan 8.380 nan 0.000 0.426 -49 K N -0.291 120.168 120.400 0.099 0.000 2.288 -49 K HA -0.020 4.300 4.320 -0.000 0.000 0.201 -49 K C 1.405 178.038 176.600 0.055 0.000 1.048 -49 K CA 1.123 57.460 56.287 0.084 0.000 0.956 -49 K CB -0.329 32.214 32.500 0.071 0.000 0.746 -49 K HN 0.152 nan 8.250 nan 0.000 0.461 -48 D N 0.696 121.112 120.400 0.026 0.000 2.084 -48 D HA -0.023 4.617 4.640 -0.000 0.000 0.199 -48 D C -0.317 175.981 176.300 -0.004 0.000 0.981 -48 D CA 1.171 55.161 54.000 -0.016 0.000 0.841 -48 D CB 0.321 41.081 40.800 -0.068 0.000 0.997 -48 D HN 0.216 nan 8.370 nan 0.000 0.454 -47 K N -0.131 120.274 120.400 0.009 0.000 2.565 -47 K HA 0.381 4.701 4.320 -0.000 0.000 0.249 -47 K C -2.704 173.929 176.600 0.056 0.000 0.958 -47 K CA -1.901 54.410 56.287 0.040 0.000 0.806 -47 K CB 2.790 35.308 32.500 0.029 0.000 1.194 -47 K HN -0.091 nan 8.250 nan 0.000 0.434 -46 P HA -0.027 nan 4.420 nan 0.000 0.262 -46 P C 0.219 177.507 177.300 -0.020 0.000 1.182 -46 P CA 0.232 63.352 63.100 0.034 0.000 0.761 -46 P CB 0.542 32.259 31.700 0.028 0.000 0.795 -45 L N 2.089 123.333 121.223 0.036 0.000 2.341 -45 L HA 0.138 4.478 4.340 -0.000 0.000 0.214 -45 L C 1.532 178.421 176.870 0.033 0.000 1.115 -45 L CA 1.276 56.150 54.840 0.056 0.000 0.820 -45 L CB -0.675 41.438 42.059 0.089 0.000 0.944 -45 L HN 0.757 nan 8.230 nan 0.000 0.452 -44 G N -0.411 108.377 108.800 -0.020 0.000 2.501 -44 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.213 -44 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.213 -44 G C -0.602 174.331 174.900 0.055 0.000 1.158 -44 G CA -0.337 44.760 45.100 -0.006 0.000 1.079 -44 G HN 0.319 nan 8.290 nan 0.000 0.586 -43 A N 0.557 123.420 122.820 0.072 0.000 2.294 -43 A HA 0.753 5.072 4.320 -0.000 0.000 0.316 -43 A C 0.783 178.412 177.584 0.076 0.000 1.359 -43 A CA 0.471 52.550 52.037 0.070 0.000 0.956 -43 A CB 0.065 19.115 19.000 0.083 0.000 1.155 -43 A HN 2.266 nan 8.150 nan 0.000 0.544 -42 V N 0.826 120.781 119.914 0.068 0.000 2.924 -42 V HA 0.482 4.602 4.120 -0.000 0.000 0.305 -42 V C 1.289 177.446 176.094 0.104 0.000 1.073 -42 V CA 0.292 62.641 62.300 0.082 0.000 1.098 -42 V CB 0.473 32.370 31.823 0.123 0.000 1.000 -42 V HN 1.088 nan 8.190 nan 0.000 0.484 -41 A N 3.417 126.242 122.820 0.009 0.000 1.930 -41 A HA 0.088 4.407 4.320 -0.000 0.000 0.217 -41 A C 1.285 178.791 177.584 -0.128 0.000 1.175 -41 A CA 0.880 52.873 52.037 -0.074 0.000 0.627 -41 A CB -0.545 18.290 19.000 -0.275 0.000 0.815 -41 A HN 1.028 nan 8.150 nan 0.000 0.443 -40 L N 0.904 122.059 121.223 -0.113 0.000 2.562 -40 L HA 0.066 4.406 4.340 -0.000 0.000 0.271 -40 L C 1.217 177.992 176.870 -0.158 0.000 1.167 -40 L CA 0.297 55.043 54.840 -0.156 0.000 0.917 -40 L CB 0.261 42.286 42.059 -0.058 0.000 1.187 -40 L HN 0.297 nan 8.230 nan 0.000 0.482 -39 K N 1.635 121.812 120.400 -0.373 0.000 2.020 -39 K HA -0.216 4.103 4.320 -0.000 0.000 0.212 -39 K C 2.070 178.604 176.600 -0.110 0.000 1.050 -39 K CA 1.995 58.017 56.287 -0.442 0.000 0.929 -39 K CB -0.157 32.031 32.500 -0.520 0.000 0.714 -39 K HN 0.945 nan 8.250 nan 0.000 0.443 -38 S N 0.462 116.124 115.700 -0.063 0.000 2.372 -38 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 -38 S C 2.068 176.738 174.600 0.116 0.000 1.044 -38 S CA 1.545 59.758 58.200 0.021 0.000 1.050 -38 S CB -0.810 62.397 63.200 0.013 0.000 0.901 -38 S HN 0.383 nan 8.310 nan 0.000 0.447 -37 Y N 2.461 122.751 120.300 -0.017 0.000 2.337 -37 Y HA 0.152 4.702 4.550 -0.000 0.000 0.293 -37 Y C 2.436 178.365 175.900 0.049 0.000 1.123 -37 Y CA 1.204 59.312 58.100 0.013 0.000 1.201 -37 Y CB -0.612 37.852 38.460 0.007 0.000 1.011 -37 Y HN 0.359 nan 8.280 nan 0.000 0.545 -36 E N 0.805 121.017 120.200 0.020 0.000 2.106 -36 E HA -0.202 4.147 4.350 -0.000 0.000 0.192 -36 E C 2.172 178.790 176.600 0.030 0.000 0.984 -36 E CA 1.577 57.983 56.400 0.010 0.000 0.806 -36 E CB -0.453 29.389 29.700 0.236 0.000 0.750 -36 E HN 0.581 nan 8.360 nan 0.000 0.458 -35 E N 0.340 120.585 120.200 0.076 0.000 2.114 -35 E HA -0.301 4.048 4.350 -0.000 0.000 0.199 -35 E C 1.640 178.254 176.600 0.023 0.000 1.008 -35 E CA 1.860 58.300 56.400 0.066 0.000 0.810 -35 E CB -0.059 29.681 29.700 0.068 0.000 0.739 -35 E HN 0.531 nan 8.360 nan 0.000 0.456 -34 E N 0.198 120.399 120.200 0.002 0.000 2.072 -34 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 -34 E C 2.194 178.758 176.600 -0.059 0.000 0.982 -34 E CA 0.640 57.035 56.400 -0.009 0.000 0.803 -34 E CB -0.182 29.538 29.700 0.033 0.000 0.755 -34 E HN 0.154 nan 8.360 nan 0.000 0.453 -33 L N 0.967 122.096 121.223 -0.157 0.000 2.362 -33 L HA -0.039 4.301 4.340 -0.000 0.000 0.219 -33 L C 2.168 179.001 176.870 -0.061 0.000 1.134 -33 L CA 1.098 55.836 54.840 -0.169 0.000 0.807 -33 L CB -0.400 41.462 42.059 -0.330 0.000 0.927 -33 L HN 0.139 nan 8.230 nan 0.000 0.447 -32 A N -1.287 121.513 122.820 -0.033 0.000 2.067 -32 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 -32 A C 2.076 179.654 177.584 -0.010 0.000 1.158 -32 A CA 1.006 53.040 52.037 -0.006 0.000 0.661 -32 A CB -0.318 18.687 19.000 0.010 0.000 0.801 -32 A HN 0.252 nan 8.150 nan 0.000 0.452 -31 K N 0.717 121.108 120.400 -0.016 0.000 2.486 -31 K HA -0.036 4.284 4.320 -0.000 0.000 0.194 -31 K C -0.049 176.531 176.600 -0.033 0.000 1.033 -31 K CA 0.124 56.399 56.287 -0.020 0.000 1.004 -31 K CB -0.253 32.238 32.500 -0.014 0.000 0.798 -31 K HN 0.439 nan 8.250 nan 0.000 0.495 -30 D N 1.863 122.243 120.400 -0.034 0.000 2.371 -30 D HA 0.033 4.672 4.640 -0.000 0.000 0.256 -30 D C -1.826 174.427 176.300 -0.078 0.000 1.193 -30 D CA -2.074 51.891 54.000 -0.058 0.000 0.881 -30 D CB 1.570 42.349 40.800 -0.034 0.000 1.143 -30 D HN -0.126 nan 8.370 nan 0.000 0.473 -29 P HA -0.077 nan 4.420 nan 0.000 0.219 -29 P C 1.008 178.216 177.300 -0.153 0.000 1.146 -29 P CA 1.016 64.045 63.100 -0.118 0.000 0.808 -29 P CB 0.273 31.889 31.700 -0.140 0.000 0.779 -28 R N -0.969 119.365 120.500 -0.277 0.000 2.148 -28 R HA 0.056 4.396 4.340 -0.000 0.000 0.223 -28 R C 2.173 178.440 176.300 -0.056 0.000 1.088 -28 R CA 0.917 56.752 56.100 -0.443 0.000 0.985 -28 R CB -0.666 28.875 30.300 -1.266 0.000 0.880 -28 R HN 0.254 nan 8.270 nan 0.000 0.451 -27 I N 0.422 121.027 120.570 0.058 0.000 2.584 -27 I HA -0.095 4.075 4.170 -0.000 0.000 0.255 -27 I C 2.455 178.628 176.117 0.094 0.000 1.145 -27 I CA 0.582 61.996 61.300 0.189 0.000 1.462 -27 I CB -0.173 37.922 38.000 0.160 0.000 1.102 -27 I HN 0.139 nan 8.210 nan 0.000 0.433 -26 A N 0.951 123.790 122.820 0.030 0.000 1.908 -26 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 -26 A C 2.543 180.140 177.584 0.022 0.000 1.181 -26 A CA 1.960 54.004 52.037 0.012 0.000 0.627 -26 A CB -0.867 18.126 19.000 -0.013 0.000 0.818 -26 A HN 0.407 nan 8.150 nan 0.000 0.445 -25 A N -0.996 121.839 122.820 0.025 0.000 1.908 -25 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 -25 A C 2.306 179.936 177.584 0.076 0.000 1.181 -25 A CA 2.389 54.450 52.037 0.040 0.000 0.627 -25 A CB -1.394 17.626 19.000 0.034 0.000 0.818 -25 A HN 0.443 nan 8.150 nan 0.000 0.445 -24 T N 0.051 114.684 114.554 0.132 0.000 2.720 -24 T HA -0.164 4.185 4.350 -0.000 0.000 0.268 -24 T C 1.932 176.685 174.700 0.089 0.000 1.037 -24 T CA 1.716 63.900 62.100 0.140 0.000 1.144 -24 T CB -0.254 68.732 68.868 0.197 0.000 0.864 -24 T HN 0.294 nan 8.240 nan 0.000 0.444 -23 M N 0.778 120.417 119.600 0.066 0.000 2.200 -23 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 -23 M C 2.292 178.598 176.300 0.010 0.000 1.066 -23 M CA 1.216 56.533 55.300 0.029 0.000 1.127 -23 M CB -0.997 31.607 32.600 0.005 0.000 1.379 -23 M HN 0.347 nan 8.290 nan 0.000 0.420 -22 E N 0.487 120.696 120.200 0.014 0.000 2.051 -22 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 -22 E C 1.802 178.412 176.600 0.016 0.000 0.991 -22 E CA 1.137 57.541 56.400 0.005 0.000 0.799 -22 E CB 0.163 29.864 29.700 0.003 0.000 0.748 -22 E HN 0.409 nan 8.360 nan 0.000 0.449 -21 N N 0.306 119.026 118.700 0.032 0.000 2.120 -21 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 -21 N C 1.694 177.239 175.510 0.057 0.000 1.024 -21 N CA 1.251 54.327 53.050 0.042 0.000 0.852 -21 N CB -0.348 38.168 38.487 0.048 0.000 1.003 -21 N HN 0.232 nan 8.380 nan 0.000 0.424 -20 A N 0.995 123.854 122.820 0.064 0.000 1.908 -20 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 -20 A C 2.194 179.805 177.584 0.046 0.000 1.181 -20 A CA 1.521 53.606 52.037 0.080 0.000 0.627 -20 A CB -0.725 18.322 19.000 0.079 0.000 0.818 -20 A HN 0.330 nan 8.150 nan 0.000 0.445 -19 Q N -0.673 119.130 119.800 0.005 0.000 2.224 -19 Q HA -0.096 4.244 4.340 -0.000 0.000 0.203 -19 Q C 1.807 177.807 176.000 -0.000 0.000 0.970 -19 Q CA 1.582 57.371 55.803 -0.025 0.000 0.865 -19 Q CB -0.034 28.678 28.738 -0.043 0.000 0.922 -19 Q HN 0.672 nan 8.270 nan 0.000 0.445 -18 K N -0.923 119.487 120.400 0.017 0.000 2.361 -18 K HA 0.083 4.402 4.320 -0.000 0.000 0.196 -18 K C 0.842 177.467 176.600 0.041 0.000 1.039 -18 K CA 0.456 56.756 56.287 0.022 0.000 1.001 -18 K CB 0.451 32.962 32.500 0.018 0.000 0.795 -18 K HN 0.184 nan 8.250 nan 0.000 0.495 -17 G N 1.316 110.156 108.800 0.068 0.000 2.574 -17 G HA2 0.220 4.179 3.960 -0.000 0.000 0.248 -17 G HA3 0.220 4.179 3.960 -0.000 0.000 0.248 -17 G C -0.894 174.090 174.900 0.141 0.000 1.422 -17 G CA -0.386 44.778 45.100 0.106 0.000 1.051 -17 G HN 0.235 nan 8.290 nan 0.000 0.560 -16 E N -1.801 118.542 120.200 0.238 0.000 2.356 -16 E HA 0.473 4.823 4.350 -0.000 0.000 0.275 -16 E C -1.264 175.612 176.600 0.459 0.000 0.904 -16 E CA -0.977 55.602 56.400 0.299 0.000 0.757 -16 E CB 2.088 31.961 29.700 0.289 0.000 1.232 -16 E HN 0.318 nan 8.360 nan 0.000 0.442 -15 I N 2.545 123.330 120.570 0.358 0.000 2.752 -15 I HA 0.005 4.175 4.170 -0.000 0.000 0.289 -15 I C 0.157 176.513 176.117 0.398 0.000 1.197 -15 I CA 0.469 61.994 61.300 0.375 0.000 1.432 -15 I CB 0.317 38.483 38.000 0.276 0.000 1.359 -15 I HN 0.671 nan 8.210 nan 0.000 0.571 -14 M N 8.931 128.699 119.600 0.280 0.000 2.248 -14 M HA 0.187 4.667 4.480 -0.000 0.000 0.337 -14 M C -2.032 174.227 176.300 -0.067 0.000 1.121 -14 M CA -1.212 53.908 55.300 -0.301 0.000 1.155 -14 M CB 0.040 32.352 32.600 -0.481 0.000 1.514 -14 M HN 0.410 nan 8.290 nan 0.000 0.452 -13 P HA 0.031 nan 4.420 nan 0.000 0.270 -13 P C -0.468 176.706 177.300 -0.209 0.000 1.223 -13 P CA 0.002 62.859 63.100 -0.406 0.000 0.785 -13 P CB 0.369 31.535 31.700 -0.890 0.000 0.923 -12 N N 1.250 119.938 118.700 -0.021 0.000 2.187 -12 N HA 0.042 4.781 4.740 -0.000 0.000 0.212 -12 N C 0.429 175.912 175.510 -0.045 0.000 1.152 -12 N CA -0.244 52.804 53.050 -0.003 0.000 0.872 -12 N CB -0.834 37.766 38.487 0.188 0.000 1.025 -12 N HN 0.391 nan 8.380 nan 0.000 0.514 -11 I N -2.341 118.184 120.570 -0.075 0.000 3.045 -11 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 -11 I C -1.535 174.486 176.117 -0.160 0.000 1.238 -11 I CA -1.383 59.877 61.300 -0.066 0.000 1.396 -11 I CB 0.282 38.161 38.000 -0.203 0.000 1.355 -11 I HN -0.273 nan 8.210 nan 0.000 0.601 -10 P HA -0.115 nan 4.420 nan 0.000 0.225 -10 P C 0.924 178.178 177.300 -0.078 0.000 1.148 -10 P CA 1.219 64.248 63.100 -0.118 0.000 0.779 -10 P CB 0.056 31.722 31.700 -0.057 0.000 0.780 -9 Q N -2.005 117.696 119.800 -0.165 0.000 2.472 -9 Q HA 0.076 4.416 4.340 -0.000 0.000 0.208 -9 Q C 1.844 177.929 176.000 0.142 0.000 0.958 -9 Q CA 0.756 56.496 55.803 -0.105 0.000 0.932 -9 Q CB -0.629 27.701 28.738 -0.679 0.000 1.007 -9 Q HN 0.178 nan 8.270 nan 0.000 0.508 -8 M N -0.181 119.441 119.600 0.037 0.000 2.159 -8 M HA -0.140 4.339 4.480 -0.000 0.000 0.263 -8 M C 2.083 178.549 176.300 0.277 0.000 1.063 -8 M CA 1.803 57.179 55.300 0.127 0.000 1.110 -8 M CB -1.126 31.464 32.600 -0.017 0.000 1.374 -8 M HN 0.332 nan 8.290 nan 0.000 0.411 -7 S N 0.341 116.187 115.700 0.244 0.000 2.383 -7 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 -7 S C 2.117 176.910 174.600 0.321 0.000 1.026 -7 S CA 1.072 59.445 58.200 0.289 0.000 0.981 -7 S CB -0.615 62.666 63.200 0.136 0.000 0.818 -7 S HN 0.419 nan 8.310 nan 0.000 0.472 -6 A N 1.391 124.409 122.820 0.329 0.000 1.930 -6 A HA 0.085 4.405 4.320 -0.000 0.000 0.217 -6 A C 1.951 179.762 177.584 0.378 0.000 1.175 -6 A CA 1.381 53.627 52.037 0.348 0.000 0.627 -6 A CB -1.098 18.151 19.000 0.414 0.000 0.815 -6 A HN 0.633 nan 8.150 nan 0.000 0.443 -5 F N -0.772 119.353 119.950 0.292 0.000 2.095 -5 F HA -0.200 4.327 4.527 -0.000 0.000 0.298 -5 F C 2.022 177.826 175.800 0.006 0.000 1.104 -5 F CA 1.749 59.783 58.000 0.056 0.000 1.232 -5 F CB -0.601 38.290 39.000 -0.182 0.000 0.987 -5 F HN 0.392 nan 8.300 nan 0.000 0.475 -4 W N -1.094 120.155 121.300 -0.085 0.000 2.355 -4 W HA -0.221 4.439 4.660 -0.000 0.000 0.309 -4 W C 2.529 178.973 176.519 -0.125 0.000 1.206 -4 W CA 1.307 58.516 57.345 -0.227 0.000 1.284 -4 W CB -0.963 28.517 29.460 0.032 0.000 1.145 -4 W HN 0.186 nan 8.180 nan 0.000 0.502 -3 Y N 1.085 121.480 120.300 0.157 0.000 2.165 -3 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 -3 Y C 2.325 178.235 175.900 0.016 0.000 1.155 -3 Y CA 2.298 60.446 58.100 0.080 0.000 1.164 -3 Y CB -0.827 37.676 38.460 0.071 0.000 0.978 -3 Y HN -0.079 nan 8.280 nan 0.000 0.513 -2 A N -0.684 122.170 122.820 0.057 0.000 1.877 -2 A HA -0.169 4.151 4.320 -0.000 0.000 0.216 -2 A C 2.320 179.815 177.584 -0.148 0.000 1.186 -2 A CA 2.166 54.172 52.037 -0.052 0.000 0.620 -2 A CB -1.323 17.669 19.000 -0.014 0.000 0.822 -2 A HN 0.337 nan 8.150 nan 0.000 0.443 -1 V N -0.085 119.699 119.914 -0.216 0.000 2.358 -1 V HA -0.230 3.889 4.120 -0.000 0.000 0.246 -1 V C 2.591 178.657 176.094 -0.046 0.000 1.047 -1 V CA 2.124 64.329 62.300 -0.157 0.000 1.035 -1 V CB -0.854 30.765 31.823 -0.340 0.000 0.658 -1 V HN 0.652 nan 8.190 nan 0.000 0.452 0 R N 0.106 120.581 120.500 -0.042 0.000 2.112 0 R HA -0.229 4.111 4.340 -0.000 0.000 0.242 0 R C 2.370 178.597 176.300 -0.121 0.000 1.137 0 R CA 2.489 58.563 56.100 -0.043 0.000 0.944 0 R CB -0.630 29.629 30.300 -0.068 0.000 0.857 0 R HN 0.543 nan 8.270 nan 0.000 0.435 1 T N 0.503 114.904 114.554 -0.255 0.000 2.746 1 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 1 T C 1.808 176.441 174.700 -0.113 0.000 1.039 1 T CA 1.371 63.331 62.100 -0.233 0.000 1.142 1 T CB -0.359 68.311 68.868 -0.329 0.000 0.866 1 T HN 0.500 nan 8.240 nan 0.000 0.444 2 A N 1.046 123.814 122.820 -0.085 0.000 1.865 2 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 2 A C 2.608 180.181 177.584 -0.018 0.000 1.191 2 A CA 1.610 53.623 52.037 -0.040 0.000 0.623 2 A CB -1.086 17.901 19.000 -0.022 0.000 0.826 2 A HN 0.354 nan 8.150 nan 0.000 0.444 3 V N 0.010 119.926 119.914 0.004 0.000 2.358 3 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 3 V C 2.424 178.520 176.094 0.002 0.000 1.047 3 V CA 1.972 64.287 62.300 0.025 0.000 1.035 3 V CB -0.698 31.173 31.823 0.080 0.000 0.658 3 V HN 0.554 nan 8.190 nan 0.000 0.452 4 I N 0.511 121.074 120.570 -0.011 0.000 2.179 4 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 4 I C 2.377 178.478 176.117 -0.027 0.000 1.088 4 I CA 1.513 62.800 61.300 -0.022 0.000 1.357 4 I CB -0.488 37.494 38.000 -0.031 0.000 1.051 4 I HN 0.340 nan 8.210 nan 0.000 0.409 5 N N 1.051 119.732 118.700 -0.032 0.000 2.120 5 N HA -0.141 4.598 4.740 -0.000 0.000 0.188 5 N C 1.828 177.324 175.510 -0.023 0.000 1.024 5 N CA 1.646 54.680 53.050 -0.028 0.000 0.852 5 N CB -0.456 38.013 38.487 -0.030 0.000 1.003 5 N HN 0.380 nan 8.380 nan 0.000 0.424 6 A N 0.798 123.606 122.820 -0.021 0.000 1.872 6 A HA 0.135 4.455 4.320 -0.000 0.000 0.214 6 A C 2.345 179.914 177.584 -0.025 0.000 1.187 6 A CA 1.751 53.776 52.037 -0.020 0.000 0.614 6 A CB -0.933 18.058 19.000 -0.017 0.000 0.826 6 A HN 0.289 nan 8.150 nan 0.000 0.442 7 A N 0.376 123.181 122.820 -0.026 0.000 1.908 7 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 7 A C 2.502 180.065 177.584 -0.036 0.000 1.181 7 A CA 2.507 54.523 52.037 -0.035 0.000 0.627 7 A CB -0.978 17.998 19.000 -0.039 0.000 0.818 7 A HN 1.066 nan 8.150 nan 0.000 0.445 8 S N -1.796 113.886 115.700 -0.031 0.000 2.489 8 S HA 0.312 4.781 4.470 -0.000 0.000 0.228 8 S C 1.522 176.107 174.600 -0.026 0.000 0.995 8 S CA 1.264 59.447 58.200 -0.029 0.000 0.934 8 S CB -0.437 62.748 63.200 -0.025 0.000 0.771 8 S HN 2.037 nan 8.310 nan 0.000 0.522 9 G N 1.345 110.130 108.800 -0.025 0.000 2.143 9 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.249 9 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.249 9 G C 0.843 175.733 174.900 -0.018 0.000 0.981 9 G CA 0.380 45.467 45.100 -0.022 0.000 0.665 9 G HN 0.512 nan 8.290 nan 0.000 0.528 10 R N -0.466 120.024 120.500 -0.018 0.000 2.096 10 R HA 0.038 4.378 4.340 -0.000 0.000 0.235 10 R C 1.282 177.574 176.300 -0.013 0.000 1.127 10 R CA 1.598 57.689 56.100 -0.015 0.000 0.968 10 R CB 0.015 30.305 30.300 -0.016 0.000 0.861 10 R HN 0.602 nan 8.270 nan 0.000 0.440 11 Q N -0.911 118.880 119.800 -0.014 0.000 2.451 11 Q HA 0.196 4.536 4.340 -0.000 0.000 0.281 11 Q C -0.829 175.163 176.000 -0.012 0.000 1.099 11 Q CA -0.660 55.135 55.803 -0.012 0.000 0.806 11 Q CB 2.455 31.185 28.738 -0.013 0.000 1.419 11 Q HN 0.104 nan 8.270 nan 0.000 0.427 12 T N -2.462 112.086 114.554 -0.009 0.000 2.813 12 T HA 0.133 4.483 4.350 -0.000 0.000 0.297 12 T C 1.322 176.017 174.700 -0.008 0.000 1.036 12 T CA -0.642 61.453 62.100 -0.008 0.000 1.044 12 T CB 0.559 69.425 68.868 -0.004 0.000 0.993 12 T HN 0.327 nan 8.240 nan 0.000 0.535 13 V N 1.445 121.354 119.914 -0.008 0.000 2.332 13 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 13 V C 2.446 178.538 176.094 -0.004 0.000 1.055 13 V CA 2.325 64.620 62.300 -0.007 0.000 1.038 13 V CB -1.020 30.799 31.823 -0.006 0.000 0.651 13 V HN 0.895 nan 8.190 nan 0.000 0.450 14 D N -0.296 120.104 120.400 -0.000 0.000 2.084 14 D HA -0.147 4.493 4.640 -0.000 0.000 0.194 14 D C 2.276 178.575 176.300 -0.001 0.000 0.990 14 D CA 1.395 55.396 54.000 0.001 0.000 0.826 14 D CB -0.193 40.610 40.800 0.006 0.000 0.971 14 D HN 0.532 nan 8.370 nan 0.000 0.453 15 E N 0.315 120.514 120.200 -0.002 0.000 2.085 15 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 15 E C 2.066 178.662 176.600 -0.007 0.000 0.994 15 E CA 1.110 57.508 56.400 -0.003 0.000 0.801 15 E CB -0.122 29.576 29.700 -0.004 0.000 0.743 15 E HN 0.243 nan 8.360 nan 0.000 0.453 16 A N 1.077 123.892 122.820 -0.009 0.000 1.858 16 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 16 A C 2.208 179.784 177.584 -0.014 0.000 1.190 16 A CA 1.159 53.187 52.037 -0.014 0.000 0.617 16 A CB -0.691 18.300 19.000 -0.015 0.000 0.827 16 A HN 0.130 nan 8.150 nan 0.000 0.443 17 L N -0.728 120.489 121.223 -0.009 0.000 2.093 17 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 17 L C 2.623 179.486 176.870 -0.012 0.000 1.085 17 L CA 1.729 56.565 54.840 -0.008 0.000 0.755 17 L CB -0.409 41.647 42.059 -0.005 0.000 0.904 17 L HN 0.463 nan 8.230 nan 0.000 0.435 18 K N 0.360 120.754 120.400 -0.010 0.000 2.032 18 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 18 K C 1.607 178.199 176.600 -0.013 0.000 1.048 18 K CA 2.137 58.419 56.287 -0.010 0.000 0.927 18 K CB -0.002 32.496 32.500 -0.004 0.000 0.712 18 K HN 0.208 nan 8.250 nan 0.000 0.441 19 D N 0.008 120.401 120.400 -0.012 0.000 2.117 19 D HA -0.094 4.546 4.640 -0.000 0.000 0.198 19 D C 1.750 178.039 176.300 -0.019 0.000 0.982 19 D CA 1.346 55.339 54.000 -0.013 0.000 0.828 19 D CB -0.212 40.582 40.800 -0.010 0.000 0.967 19 D HN 0.350 nan 8.370 nan 0.000 0.464 20 A N 0.578 123.383 122.820 -0.024 0.000 1.873 20 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 20 A C 2.169 179.733 177.584 -0.034 0.000 1.193 20 A CA 2.305 54.324 52.037 -0.031 0.000 0.629 20 A CB -0.957 18.021 19.000 -0.037 0.000 0.826 20 A HN 0.245 nan 8.150 nan 0.000 0.447 21 Q N -0.732 119.050 119.800 -0.031 0.000 2.030 21 Q HA -0.157 4.183 4.340 -0.000 0.000 0.204 21 Q C 2.075 178.042 176.000 -0.054 0.000 0.986 21 Q CA 2.808 58.588 55.803 -0.039 0.000 0.843 21 Q CB -0.754 27.959 28.738 -0.041 0.000 0.904 21 Q HN 0.582 nan 8.270 nan 0.000 0.420 22 T N 0.497 115.026 114.554 -0.041 0.000 2.699 22 T HA -0.171 4.179 4.350 -0.000 0.000 0.268 22 T C 1.417 176.080 174.700 -0.061 0.000 1.036 22 T CA 1.678 63.755 62.100 -0.038 0.000 1.147 22 T CB -0.470 68.386 68.868 -0.019 0.000 0.862 22 T HN 0.465 nan 8.240 nan 0.000 0.446 23 N N 0.848 119.512 118.700 -0.060 0.000 2.106 23 N HA -0.003 4.737 4.740 -0.000 0.000 0.188 23 N C 2.308 177.716 175.510 -0.169 0.000 1.029 23 N CA 0.874 53.882 53.050 -0.070 0.000 0.848 23 N CB -0.216 38.262 38.487 -0.015 0.000 1.007 23 N HN 0.352 nan 8.380 nan 0.000 0.423 24 A N 1.467 124.151 122.820 -0.227 0.000 1.865 24 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 24 A C 2.360 179.424 177.584 -0.867 0.000 1.191 24 A CA 1.890 53.586 52.037 -0.568 0.000 0.623 24 A CB -1.117 17.701 19.000 -0.302 0.000 0.826 24 A HN 0.350 nan 8.150 nan 0.000 0.444 25 A N -0.258 122.351 122.820 -0.351 0.000 1.940 25 A HA 0.091 4.410 4.320 -0.000 0.000 0.219 25 A C 2.494 180.032 177.584 -0.077 0.000 1.176 25 A CA 2.327 54.296 52.037 -0.113 0.000 0.631 25 A CB -1.049 17.944 19.000 -0.013 0.000 0.814 25 A HN 1.180 nan 8.150 nan 0.000 0.446 26 A N -0.555 122.201 122.820 -0.108 0.000 1.933 26 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 26 A C 2.030 179.584 177.584 -0.051 0.000 1.175 26 A CA 1.869 53.876 52.037 -0.050 0.000 0.628 26 A CB -0.464 18.508 19.000 -0.046 0.000 0.814 26 A HN 0.704 nan 8.150 nan 0.000 0.444 27 E N -0.856 119.252 120.200 -0.153 0.000 2.028 27 E HA -0.116 4.234 4.350 -0.000 0.000 0.190 27 E C 1.745 178.407 176.600 0.105 0.000 0.984 27 E CA 1.040 57.390 56.400 -0.082 0.000 0.800 27 E CB -0.251 29.345 29.700 -0.174 0.000 0.758 27 E HN 0.720 nan 8.360 nan 0.000 0.448 28 F N 0.845 120.871 119.950 0.128 0.000 2.186 28 F HA -0.116 4.410 4.527 -0.000 0.000 0.299 28 F C 1.782 177.677 175.800 0.159 0.000 1.090 28 F CA 0.149 58.249 58.000 0.167 0.000 1.307 28 F CB 0.087 39.242 39.000 0.259 0.000 1.019 28 F HN 0.012 nan 8.300 nan 0.000 0.489 29 D N -0.312 120.285 120.400 0.327 0.000 2.355 29 D HA -0.101 4.539 4.640 -0.000 0.000 0.218 29 D C 1.296 177.644 176.300 0.080 0.000 1.004 29 D CA 0.742 54.903 54.000 0.268 0.000 0.880 29 D CB -0.365 40.604 40.800 0.281 0.000 0.911 29 D HN 0.257 nan 8.370 nan 0.000 0.528 30 D N -0.642 119.796 120.400 0.063 0.000 2.348 30 D HA -0.043 4.596 4.640 -0.000 0.000 0.211 30 D C 1.803 178.092 176.300 -0.019 0.000 0.998 30 D CA 0.246 54.258 54.000 0.020 0.000 0.873 30 D CB 0.456 41.273 40.800 0.027 0.000 0.925 30 D HN -0.110 nan 8.370 nan 0.000 0.524 31 V N 0.477 120.365 119.914 -0.043 0.000 2.323 31 V HA -0.040 4.079 4.120 -0.000 0.000 0.244 31 V C 1.507 177.536 176.094 -0.107 0.000 1.041 31 V CA 0.870 63.133 62.300 -0.061 0.000 1.025 31 V CB -0.440 31.356 31.823 -0.045 0.000 0.656 31 V HN 0.329 nan 8.190 nan 0.000 0.451 32 M N 2.052 121.526 119.600 -0.209 0.000 2.143 32 M HA 0.192 4.672 4.480 -0.000 0.000 0.348 32 M C 0.548 176.792 176.300 -0.094 0.000 1.375 32 M CA -0.152 55.039 55.300 -0.181 0.000 1.124 32 M CB 0.754 33.172 32.600 -0.303 0.000 1.669 32 M HN 0.503 nan 8.290 nan 0.000 0.469 33 T N 1.455 115.980 114.554 -0.049 0.000 2.898 33 T HA 0.141 4.491 4.350 -0.000 0.000 0.301 33 T C 0.998 175.699 174.700 0.001 0.000 1.049 33 T CA -0.517 61.571 62.100 -0.020 0.000 1.095 33 T CB 1.157 70.016 68.868 -0.015 0.000 0.976 33 T HN 0.887 nan 8.240 nan 0.000 0.539 34 K N 0.764 121.171 120.400 0.012 0.000 2.074 34 K HA -0.246 4.073 4.320 -0.000 0.000 0.209 34 K C 2.167 178.790 176.600 0.038 0.000 1.048 34 K CA 2.011 58.315 56.287 0.027 0.000 0.926 34 K CB -0.222 32.293 32.500 0.024 0.000 0.713 34 K HN 0.876 nan 8.250 nan 0.000 0.444 35 E N 0.483 120.700 120.200 0.027 0.000 2.058 35 E HA -0.238 4.111 4.350 -0.000 0.000 0.194 35 E C 1.767 178.407 176.600 0.066 0.000 0.997 35 E CA 1.731 58.152 56.400 0.035 0.000 0.801 35 E CB 0.053 29.760 29.700 0.011 0.000 0.746 35 E HN 0.402 nan 8.360 nan 0.000 0.450 36 E N 0.034 120.263 120.200 0.048 0.000 2.058 36 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 36 E C 2.160 178.844 176.600 0.141 0.000 0.997 36 E CA 1.374 57.820 56.400 0.077 0.000 0.801 36 E CB -0.109 29.606 29.700 0.025 0.000 0.746 36 E HN 0.129 nan 8.360 nan 0.000 0.450 37 Q N 1.017 120.878 119.800 0.102 0.000 2.096 37 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 37 Q C 1.913 177.990 176.000 0.128 0.000 0.982 37 Q CA 1.499 57.372 55.803 0.117 0.000 0.850 37 Q CB -0.236 28.554 28.738 0.087 0.000 0.901 37 Q HN 0.346 nan 8.270 nan 0.000 0.422 38 I N -0.375 120.265 120.570 0.116 0.000 2.226 38 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 38 I C 2.001 178.200 176.117 0.136 0.000 1.100 38 I CA 1.188 62.556 61.300 0.113 0.000 1.374 38 I CB -0.377 37.676 38.000 0.088 0.000 1.057 38 I HN 0.228 nan 8.210 nan 0.000 0.413 39 F N 1.550 121.518 119.950 0.031 0.000 2.134 39 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 39 F C 2.236 178.066 175.800 0.050 0.000 1.097 39 F CA 1.584 59.597 58.000 0.023 0.000 1.264 39 F CB -0.190 38.801 39.000 -0.014 0.000 1.001 39 F HN -0.129 nan 8.300 nan 0.000 0.479 40 L N -0.328 120.984 121.223 0.149 0.000 2.042 40 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 40 L C 2.428 179.223 176.870 -0.125 0.000 1.076 40 L CA 1.052 55.918 54.840 0.044 0.000 0.749 40 L CB -0.835 41.332 42.059 0.179 0.000 0.893 40 L HN 0.298 nan 8.230 nan 0.000 0.432 41 L N -0.875 120.340 121.223 -0.013 0.000 2.056 41 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 41 L C 2.665 179.465 176.870 -0.117 0.000 1.078 41 L CA 1.775 56.615 54.840 -0.000 0.000 0.749 41 L CB -0.893 41.266 42.059 0.167 0.000 0.901 41 L HN 0.264 nan 8.230 nan 0.000 0.433 42 H N -0.118 118.805 119.070 -0.246 0.000 2.387 42 H HA -0.215 4.340 4.556 -0.000 0.000 0.299 42 H C 2.383 177.404 175.328 -0.512 0.000 1.099 42 H CA 2.061 57.900 56.048 -0.348 0.000 1.315 42 H CB 0.225 29.785 29.762 -0.336 0.000 1.380 42 H HN 0.338 nan 8.280 nan 0.000 0.513 43 R N 0.096 120.268 120.500 -0.547 0.000 2.075 43 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 43 R C 2.520 178.526 176.300 -0.490 0.000 1.126 43 R CA 1.109 56.895 56.100 -0.524 0.000 0.963 43 R CB -0.182 29.822 30.300 -0.493 0.000 0.858 43 R HN 0.304 nan 8.270 nan 0.000 0.435 44 A N 0.599 123.073 122.820 -0.577 0.000 1.933 44 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 44 A C 2.055 179.206 177.584 -0.721 0.000 1.175 44 A CA 1.516 53.160 52.037 -0.655 0.000 0.628 44 A CB -0.561 17.724 19.000 -1.191 0.000 0.814 44 A HN 0.546 nan 8.150 nan 0.000 0.444 45 Q N -0.554 118.634 119.800 -1.020 0.000 2.079 45 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 45 Q C 2.189 177.606 176.000 -0.972 0.000 0.974 45 Q CA 1.476 56.296 55.803 -1.637 0.000 0.840 45 Q CB -0.350 27.534 28.738 -1.423 0.000 0.898 45 Q HN 0.591 nan 8.270 nan 0.000 0.430 46 A N 0.671 123.059 122.820 -0.720 0.000 1.908 46 A HA -0.268 4.051 4.320 -0.000 0.000 0.218 46 A C 1.940 179.316 177.584 -0.347 0.000 1.181 46 A CA 1.780 53.530 52.037 -0.479 0.000 0.627 46 A CB -0.579 18.191 19.000 -0.383 0.000 0.818 46 A HN 0.560 nan 8.150 nan 0.000 0.445 47 Q N -1.431 118.169 119.800 -0.334 0.000 2.079 47 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 47 Q C 2.320 178.211 176.000 -0.182 0.000 0.974 47 Q CA 1.397 57.073 55.803 -0.213 0.000 0.840 47 Q CB -0.564 28.068 28.738 -0.177 0.000 0.898 47 Q HN 0.765 nan 8.270 nan 0.000 0.430 48 c N 1.482 119.934 118.600 -0.246 0.000 2.413 48 c HA -0.178 4.392 4.570 -0.000 0.000 0.276 48 c C 2.269 176.277 174.090 -0.137 0.000 1.236 48 c CA 1.192 57.436 56.329 -0.142 0.000 1.735 48 c CB -0.684 41.752 42.510 -0.123 0.000 2.031 48 c HN 0.520 nan 8.230 nan 0.000 0.474 49 E N 0.221 120.278 120.200 -0.239 0.000 2.070 49 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 49 E C 2.309 178.848 176.600 -0.101 0.000 1.004 49 E CA 1.461 57.760 56.400 -0.169 0.000 0.805 49 E CB -0.312 29.259 29.700 -0.215 0.000 0.744 49 E HN 0.608 nan 8.360 nan 0.000 0.451 50 K N 1.219 121.554 120.400 -0.110 0.000 2.026 50 K HA -0.205 4.114 4.320 -0.000 0.000 0.208 50 K C 2.303 178.879 176.600 -0.039 0.000 1.048 50 K CA 1.211 57.456 56.287 -0.070 0.000 0.929 50 K CB -0.103 32.352 32.500 -0.074 0.000 0.713 50 K HN -0.013 nan 8.250 nan 0.000 0.439 51 R N 0.899 121.378 120.500 -0.034 0.000 2.091 51 R HA -0.117 4.222 4.340 -0.000 0.000 0.238 51 R C 2.415 178.726 176.300 0.018 0.000 1.136 51 R CA 1.243 57.343 56.100 -0.000 0.000 0.959 51 R CB -0.312 29.997 30.300 0.015 0.000 0.856 51 R HN 0.208 nan 8.270 nan 0.000 0.437 52 L N 0.868 122.101 121.223 0.018 0.000 2.017 52 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 52 L C 2.584 179.470 176.870 0.026 0.000 1.073 52 L CA 1.593 56.456 54.840 0.038 0.000 0.745 52 L CB -0.528 41.556 42.059 0.042 0.000 0.894 52 L HN 0.220 nan 8.230 nan 0.000 0.432 53 K N 0.133 120.536 120.400 0.006 0.000 2.147 53 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 53 K C 1.884 178.489 176.600 0.008 0.000 1.049 53 K CA 1.369 57.658 56.287 0.004 0.000 0.936 53 K CB -0.087 32.407 32.500 -0.009 0.000 0.722 53 K HN 0.494 nan 8.250 nan 0.000 0.446 54 E N 0.352 120.557 120.200 0.008 0.000 2.086 54 E HA -0.067 4.283 4.350 -0.000 0.000 0.190 54 E C 2.096 178.707 176.600 0.019 0.000 0.975 54 E CA 0.572 56.978 56.400 0.010 0.000 0.813 54 E CB 0.166 29.869 29.700 0.005 0.000 0.768 54 E HN -0.024 nan 8.360 nan 0.000 0.457 55 V N 1.395 121.326 119.914 0.028 0.000 2.453 55 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 55 V C 2.101 178.218 176.094 0.038 0.000 1.048 55 V CA 1.323 63.645 62.300 0.037 0.000 1.049 55 V CB -0.244 31.611 31.823 0.054 0.000 0.672 55 V HN 0.221 nan 8.190 nan 0.000 0.457 56 L N -1.358 119.889 121.223 0.039 0.000 2.253 56 L HA 0.099 4.439 4.340 -0.000 0.000 0.205 56 L C 1.373 178.260 176.870 0.028 0.000 1.078 56 L CA 0.632 55.495 54.840 0.039 0.000 0.805 56 L CB -0.158 41.931 42.059 0.050 0.000 0.963 56 L HN 0.343 nan 8.230 nan 0.000 0.459 106 R N 1.921 122.390 120.500 -0.052 0.000 2.349 106 R HA 0.490 4.829 4.340 -0.000 0.000 0.299 106 R C -2.413 173.834 176.300 -0.088 0.000 1.027 106 R CA -1.977 54.089 56.100 -0.057 0.000 0.958 106 R CB 1.470 31.738 30.300 -0.053 0.000 1.047 106 R HN 0.322 nan 8.270 nan 0.000 0.468 107 P HA 0.112 nan 4.420 nan 0.000 0.272 107 P C -0.159 177.020 177.300 -0.202 0.000 1.230 107 P CA -0.409 62.615 63.100 -0.127 0.000 0.788 107 P CB 0.581 32.240 31.700 -0.068 0.000 0.949 108 c N 1.915 120.282 118.600 -0.388 0.000 2.662 108 c HA 0.201 4.771 4.570 -0.000 0.000 0.420 108 c C 1.152 175.084 174.090 -0.263 0.000 1.314 108 c CA -0.192 55.744 56.329 -0.655 0.000 1.963 108 c CB -1.283 40.175 42.510 -1.752 0.000 2.686 108 c HN 0.397 nan 8.230 nan 0.000 0.609 109 L N 5.840 127.041 121.223 -0.038 0.000 2.357 109 L HA 0.387 4.727 4.340 -0.000 0.000 0.273 109 L C -1.796 175.346 176.870 0.454 0.000 1.080 109 L CA -1.538 53.413 54.840 0.184 0.000 0.803 109 L CB 0.681 42.821 42.059 0.135 0.000 1.174 109 L HN 0.421 nan 8.230 nan 0.000 0.443 110 P HA 0.056 nan 4.420 nan 0.000 0.267 110 P C -1.230 176.273 177.300 0.339 0.000 1.200 110 P CA 0.019 63.351 63.100 0.387 0.000 0.772 110 P CB 0.581 32.434 31.700 0.254 0.000 0.855 111 E N 1.131 121.528 120.200 0.328 0.000 2.388 111 E HA 0.258 4.608 4.350 -0.000 0.000 0.280 111 E C -1.637 175.151 176.600 0.313 0.000 1.019 111 E CA -1.019 55.542 56.400 0.268 0.000 0.806 111 E CB 0.942 30.766 29.700 0.207 0.000 1.246 111 E HN 0.452 nan 8.360 nan 0.000 0.443 112 W N 4.195 125.525 121.300 0.050 0.000 2.351 112 W HA 0.205 4.864 4.660 -0.001 0.000 0.311 112 W C -0.594 175.895 176.519 -0.050 0.000 1.168 112 W CA -0.052 57.299 57.345 0.010 0.000 1.200 112 W CB 1.430 30.863 29.460 -0.044 0.000 1.221 112 W HN 0.882 nan 8.180 nan 0.000 0.519 113 D N 3.047 123.110 120.400 -0.562 0.000 2.479 113 D HA 0.016 4.655 4.640 -0.000 0.000 0.218 113 D C 0.737 176.616 176.300 -0.702 0.000 1.177 113 D CA 0.044 53.752 54.000 -0.487 0.000 0.830 113 D CB -0.315 40.436 40.800 -0.080 0.000 1.014 113 D HN 0.595 nan 8.370 nan 0.000 0.503 114 H N -0.911 117.533 119.070 -1.044 0.000 4.199 114 H HA -0.140 4.416 4.556 -0.000 0.000 0.124 114 H C 0.965 175.900 175.328 -0.655 0.000 0.666 114 H CA 1.308 56.978 56.048 -0.631 0.000 1.223 114 H CB -1.350 28.298 29.762 -0.190 0.000 0.616 114 H HN 0.328 nan 8.280 nan 0.000 0.619 115 I N -0.085 120.033 120.570 -0.753 0.000 4.228 115 I HA 0.166 4.335 4.170 -0.000 0.000 0.298 115 I C 0.437 176.269 176.117 -0.474 0.000 1.206 115 I CA 0.315 61.376 61.300 -0.398 0.000 1.322 115 I CB 1.225 39.185 38.000 -0.067 0.000 1.411 115 I HN -0.153 nan 8.210 nan 0.000 0.454 116 L N 0.377 121.237 121.223 -0.605 0.000 2.354 116 L HA 0.404 4.744 4.340 -0.000 0.000 0.269 116 L C -0.977 175.688 176.870 -0.341 0.000 1.005 116 L CA -0.615 54.002 54.840 -0.372 0.000 0.819 116 L CB 2.991 44.684 42.059 -0.610 0.000 1.311 116 L HN 0.106 nan 8.230 nan 0.000 0.423 117 c N 2.984 121.618 118.600 0.056 0.000 2.349 117 c HA 0.341 4.911 4.570 -0.000 0.000 0.348 117 c C -0.282 173.742 174.090 -0.110 0.000 1.223 117 c CA -0.839 55.595 56.329 0.175 0.000 1.746 117 c CB -0.847 41.818 42.510 0.258 0.000 2.360 117 c HN 0.617 nan 8.230 nan 0.000 0.533 118 W N 7.975 129.278 121.300 0.006 0.000 2.238 118 W HA 0.354 5.013 4.660 -0.001 0.000 0.321 118 W C -1.565 175.025 176.519 0.119 0.000 1.293 118 W CA -1.699 55.615 57.345 -0.052 0.000 1.204 118 W CB 0.307 29.541 29.460 -0.378 0.000 1.167 118 W HN 0.566 nan 8.180 nan 0.000 0.553 119 P HA 0.193 nan 4.420 nan 0.000 0.282 119 P C -0.454 177.106 177.300 0.434 0.000 1.287 119 P CA -0.530 62.754 63.100 0.307 0.000 0.792 119 P CB 0.958 32.787 31.700 0.215 0.000 1.163 120 L N -0.317 121.077 121.223 0.285 0.000 2.543 120 L HA 0.170 4.510 4.340 -0.000 0.000 0.285 120 L C 1.294 178.300 176.870 0.226 0.000 1.236 120 L CA 0.512 55.482 54.840 0.217 0.000 0.871 120 L CB -0.568 41.561 42.059 0.117 0.000 1.121 120 L HN 0.509 nan 8.230 nan 0.000 0.501 121 G N 1.948 110.786 108.800 0.063 0.000 2.461 121 G HA2 0.617 4.577 3.960 -0.000 0.000 0.323 121 G HA3 0.617 4.577 3.960 -0.000 0.000 0.323 121 G C -0.574 174.269 174.900 -0.095 0.000 1.229 121 G CA -0.467 44.626 45.100 -0.012 0.000 0.941 121 G HN 0.836 nan 8.290 nan 0.000 0.477 122 A N 4.038 126.843 122.820 -0.024 0.000 2.477 122 A HA 0.604 4.924 4.320 -0.000 0.000 0.246 122 A C -1.874 175.661 177.584 -0.082 0.000 1.078 122 A CA -1.071 50.941 52.037 -0.042 0.000 0.770 122 A CB -0.001 18.996 19.000 -0.005 0.000 1.011 122 A HN 0.497 nan 8.150 nan 0.000 0.494 123 P HA 0.114 nan 4.420 nan 0.000 0.261 123 P C 0.978 178.236 177.300 -0.070 0.000 1.183 123 P CA 1.753 64.791 63.100 -0.102 0.000 0.761 123 P CB 0.518 32.167 31.700 -0.084 0.000 0.785 124 G N 2.330 111.086 108.800 -0.073 0.000 2.199 124 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.254 124 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.254 124 G C 0.021 174.904 174.900 -0.028 0.000 0.982 124 G CA 0.368 45.438 45.100 -0.050 0.000 0.632 124 G HN 0.732 nan 8.290 nan 0.000 0.529 125 E N 0.320 120.513 120.200 -0.012 0.000 2.277 125 E HA 0.619 4.969 4.350 -0.000 0.000 0.274 125 E C -0.040 176.607 176.600 0.080 0.000 1.022 125 E CA -0.987 55.431 56.400 0.029 0.000 0.853 125 E CB 2.058 31.784 29.700 0.045 0.000 1.086 125 E HN 0.195 nan 8.360 nan 0.000 0.397 126 V N 3.542 123.511 119.914 0.092 0.000 2.455 126 V HA 0.084 4.204 4.120 -0.000 0.000 0.273 126 V C -0.136 176.106 176.094 0.247 0.000 1.045 126 V CA -0.582 61.819 62.300 0.168 0.000 0.976 126 V CB 0.961 32.846 31.823 0.103 0.000 0.993 126 V HN 0.548 nan 8.190 nan 0.000 0.475 127 V N 5.253 125.380 119.914 0.354 0.000 2.383 127 V HA 0.648 4.768 4.120 -0.000 0.000 0.275 127 V C 0.536 176.894 176.094 0.439 0.000 1.036 127 V CA -0.336 62.202 62.300 0.397 0.000 0.889 127 V CB 1.353 33.513 31.823 0.560 0.000 0.985 127 V HN 0.962 nan 8.190 nan 0.000 0.459 128 A N 5.412 128.415 122.820 0.304 0.000 2.288 128 A HA 0.827 5.147 4.320 -0.000 0.000 0.320 128 A C -0.736 176.902 177.584 0.090 0.000 1.217 128 A CA -0.481 51.636 52.037 0.135 0.000 0.840 128 A CB 1.298 20.308 19.000 0.016 0.000 1.179 128 A HN 0.633 nan 8.150 nan 0.000 0.504 129 V N 4.508 124.386 119.914 -0.059 0.000 2.540 129 V HA 0.372 4.492 4.120 -0.000 0.000 0.302 129 V C -2.444 173.495 176.094 -0.258 0.000 1.035 129 V CA -1.872 60.319 62.300 -0.182 0.000 0.873 129 V CB 1.927 33.417 31.823 -0.556 0.000 0.992 129 V HN 0.778 nan 8.190 nan 0.000 0.428 130 P HA 0.047 nan 4.420 nan 0.000 0.265 130 P C -0.257 176.813 177.300 -0.384 0.000 1.193 130 P CA -0.223 62.604 63.100 -0.455 0.000 0.765 130 P CB 0.138 31.648 31.700 -0.316 0.000 0.823 131 c N 6.906 125.271 118.600 -0.393 0.000 2.590 131 c HA 0.064 4.633 4.570 -0.000 0.000 0.411 131 c C -1.538 172.527 174.090 -0.042 0.000 1.420 131 c CA -0.647 55.519 56.329 -0.272 0.000 1.643 131 c CB -1.136 41.156 42.510 -0.364 0.000 2.528 131 c HN 0.506 nan 8.230 nan 0.000 0.606 132 P HA 0.060 nan 4.420 nan 0.000 0.267 132 P C 0.472 177.566 177.300 -0.343 0.000 1.209 132 P CA 0.515 63.378 63.100 -0.394 0.000 0.763 132 P CB 0.548 31.681 31.700 -0.946 0.000 0.816 133 D N 3.280 123.412 120.400 -0.448 0.000 2.263 133 D HA -0.228 4.411 4.640 -0.000 0.000 0.208 133 D C 1.312 177.419 176.300 -0.322 0.000 0.971 133 D CA 1.451 55.073 54.000 -0.630 0.000 0.867 133 D CB -0.962 39.579 40.800 -0.432 0.000 0.929 133 D HN 0.559 nan 8.370 nan 0.000 0.492 134 Y N -0.451 119.826 120.300 -0.037 0.000 2.546 134 Y HA 0.277 4.826 4.550 -0.001 0.000 0.287 134 Y C 0.781 176.710 175.900 0.049 0.000 1.158 134 Y CA -0.643 57.467 58.100 0.017 0.000 1.307 134 Y CB -0.073 38.400 38.460 0.022 0.000 1.036 134 Y HN -0.214 nan 8.280 nan 0.000 0.532 135 I N 1.968 122.489 120.570 -0.081 0.000 2.291 135 I HA -0.002 4.167 4.170 -0.000 0.000 0.290 135 I C 0.884 177.046 176.117 0.074 0.000 1.050 135 I CA -1.033 60.190 61.300 -0.130 0.000 1.245 135 I CB -0.019 37.516 38.000 -0.774 0.000 1.405 135 I HN 0.302 nan 8.210 nan 0.000 0.478 136 Y N 6.430 126.764 120.300 0.056 0.000 2.165 136 Y HA -0.239 4.310 4.550 -0.000 0.000 0.286 136 Y C 1.668 177.687 175.900 0.197 0.000 1.155 136 Y CA 1.850 60.047 58.100 0.162 0.000 1.164 136 Y CB 0.350 38.880 38.460 0.118 0.000 0.978 136 Y HN 0.538 nan 8.280 nan 0.000 0.513 137 D N -0.289 120.161 120.400 0.082 0.000 2.340 137 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 137 D C -0.074 176.323 176.300 0.161 0.000 1.039 137 D CA 0.241 54.301 54.000 0.100 0.000 0.866 137 D CB -0.138 40.779 40.800 0.194 0.000 0.913 137 D HN 0.108 nan 8.370 nan 0.000 0.523 138 F N 1.786 121.614 119.950 -0.204 0.000 2.450 138 F HA 0.086 4.613 4.527 -0.000 0.000 0.339 138 F C 1.273 176.600 175.800 -0.788 0.000 1.146 138 F CA -1.387 56.341 58.000 -0.454 0.000 1.267 138 F CB 0.025 38.764 39.000 -0.436 0.000 1.178 138 F HN -0.187 nan 8.300 nan 0.000 0.585 139 N N 1.588 119.844 118.700 -0.739 0.000 2.405 139 N HA 0.016 4.756 4.740 -0.000 0.000 0.260 139 N C 0.170 175.350 175.510 -0.551 0.000 1.152 139 N CA 0.222 52.724 53.050 -0.914 0.000 0.948 139 N CB -0.031 37.738 38.487 -1.198 0.000 1.111 139 N HN 0.476 nan 8.380 nan 0.000 0.485 140 H N 1.812 120.816 119.070 -0.110 0.000 2.539 140 H HA 0.149 4.705 4.556 -0.000 0.000 0.267 140 H C 0.852 176.077 175.328 -0.171 0.000 0.982 140 H CA 0.343 56.310 56.048 -0.134 0.000 1.146 140 H CB 0.646 30.360 29.762 -0.080 0.000 1.382 140 H HN 0.572 nan 8.280 nan 0.000 0.577 141 K N 0.581 120.941 120.400 -0.068 0.000 2.366 141 K HA 0.041 4.361 4.320 -0.000 0.000 0.198 141 K C 1.294 177.797 176.600 -0.162 0.000 1.044 141 K CA 0.414 56.652 56.287 -0.082 0.000 0.973 141 K CB 0.424 32.913 32.500 -0.018 0.000 0.767 141 K HN 0.175 nan 8.250 nan 0.000 0.475 142 G N 0.367 109.022 108.800 -0.242 0.000 2.580 142 G HA2 0.230 4.190 3.960 -0.000 0.000 0.278 142 G HA3 0.230 4.190 3.960 -0.000 0.000 0.278 142 G C -1.066 173.555 174.900 -0.466 0.000 1.212 142 G CA -0.423 44.521 45.100 -0.260 0.000 0.939 142 G HN 0.162 nan 8.290 nan 0.000 0.513 143 H N -1.274 117.590 119.070 -0.343 0.000 2.622 143 H HA 0.625 5.180 4.556 -0.000 0.000 0.363 143 H C 0.276 175.105 175.328 -0.833 0.000 1.151 143 H CA 0.080 55.793 56.048 -0.557 0.000 1.184 143 H CB 1.958 31.361 29.762 -0.598 0.000 1.643 143 H HN 0.735 nan 8.280 nan 0.000 0.531 144 A N 2.052 124.438 122.820 -0.724 0.000 2.295 144 A HA 0.613 4.933 4.320 -0.000 0.000 0.318 144 A C -1.365 175.890 177.584 -0.548 0.000 1.134 144 A CA -0.422 51.154 52.037 -0.768 0.000 0.827 144 A CB 0.308 18.648 19.000 -1.100 0.000 1.136 144 A HN 0.658 nan 8.150 nan 0.000 0.493 145 Y N 0.235 120.546 120.300 0.018 0.000 2.425 145 Y HA 0.648 5.197 4.550 -0.001 0.000 0.344 145 Y C 0.578 176.417 175.900 -0.101 0.000 0.969 145 Y CA -0.539 57.634 58.100 0.122 0.000 1.052 145 Y CB 2.068 40.614 38.460 0.143 0.000 1.215 145 Y HN 0.746 nan 8.280 nan 0.000 0.451 146 R N 0.852 121.405 120.500 0.087 0.000 2.930 146 R HA 0.728 5.068 4.340 -0.000 0.000 0.257 146 R C -1.242 175.332 176.300 0.457 0.000 1.107 146 R CA -1.495 54.628 56.100 0.038 0.000 0.999 146 R CB 2.069 31.900 30.300 -0.781 0.000 1.209 146 R HN 0.549 nan 8.270 nan 0.000 0.486 147 R N 0.255 121.038 120.500 0.472 0.000 2.561 147 R HA 0.298 4.638 4.340 -0.000 0.000 0.297 147 R C -1.594 174.879 176.300 0.288 0.000 0.969 147 R CA -0.501 55.771 56.100 0.288 0.000 0.879 147 R CB 1.330 31.651 30.300 0.035 0.000 1.178 147 R HN 0.642 nan 8.270 nan 0.000 0.445 148 c N 5.953 124.622 118.600 0.116 0.000 2.265 148 c HA 0.494 5.064 4.570 -0.000 0.000 0.332 148 c C -0.112 173.910 174.090 -0.114 0.000 1.248 148 c CA -0.465 55.770 56.329 -0.156 0.000 1.727 148 c CB -0.778 41.519 42.510 -0.356 0.000 2.348 148 c HN 0.955 nan 8.230 nan 0.000 0.519 149 D N 4.924 125.256 120.400 -0.113 0.000 2.384 149 D HA 0.104 4.744 4.640 -0.000 0.000 0.244 149 D C 1.047 177.288 176.300 -0.098 0.000 1.251 149 D CA -0.385 53.564 54.000 -0.086 0.000 0.961 149 D CB 0.615 41.378 40.800 -0.061 0.000 1.116 149 D HN 0.499 nan 8.370 nan 0.000 0.484 150 R N 0.401 120.856 120.500 -0.074 0.000 2.193 150 R HA -0.068 4.272 4.340 -0.000 0.000 0.229 150 R C 0.846 177.104 176.300 -0.070 0.000 1.110 150 R CA 0.788 56.847 56.100 -0.068 0.000 0.988 150 R CB -0.890 29.378 30.300 -0.053 0.000 0.871 150 R HN 0.619 nan 8.270 nan 0.000 0.458 151 N N -0.487 118.169 118.700 -0.073 0.000 2.322 151 N HA 0.070 4.810 4.740 -0.000 0.000 0.194 151 N C 0.405 175.859 175.510 -0.093 0.000 1.126 151 N CA 0.410 53.419 53.050 -0.069 0.000 0.845 151 N CB 0.796 39.252 38.487 -0.052 0.000 0.976 151 N HN 0.253 nan 8.380 nan 0.000 0.475 152 G N 0.312 109.031 108.800 -0.136 0.000 2.182 152 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.248 152 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.248 152 G C -0.291 174.463 174.900 -0.243 0.000 1.042 152 G CA -0.107 44.873 45.100 -0.200 0.000 0.775 152 G HN 0.267 nan 8.290 nan 0.000 0.501 153 S N -0.827 114.746 115.700 -0.211 0.000 2.482 153 S HA 0.607 5.077 4.470 -0.000 0.000 0.303 153 S C 0.070 174.566 174.600 -0.172 0.000 1.091 153 S CA -0.708 57.388 58.200 -0.173 0.000 1.057 153 S CB 0.904 64.075 63.200 -0.048 0.000 1.031 153 S HN 0.385 nan 8.310 nan 0.000 0.485 154 W N 2.106 123.399 121.300 -0.012 0.000 2.257 154 W HA 0.139 4.798 4.660 -0.000 0.000 0.337 154 W C 0.946 177.459 176.519 -0.009 0.000 1.321 154 W CA -0.043 57.285 57.345 -0.028 0.000 1.267 154 W CB 0.204 29.622 29.460 -0.069 0.000 1.187 154 W HN 0.557 nan 8.180 nan 0.000 0.565 155 E N 2.815 123.170 120.200 0.258 0.000 2.384 155 E HA 0.158 4.508 4.350 -0.000 0.000 0.266 155 E C -0.542 176.169 176.600 0.185 0.000 1.012 155 E CA 0.003 56.486 56.400 0.140 0.000 0.901 155 E CB 0.380 30.110 29.700 0.050 0.000 0.967 155 E HN 0.291 nan 8.360 nan 0.000 0.435 156 L N 3.359 124.657 121.223 0.125 0.000 2.399 156 L HA 0.335 4.674 4.340 -0.000 0.000 0.265 156 L C -0.315 176.652 176.870 0.162 0.000 1.089 156 L CA -1.345 53.584 54.840 0.148 0.000 0.802 156 L CB 1.323 43.446 42.059 0.107 0.000 1.180 156 L HN 0.325 nan 8.230 nan 0.000 0.454 157 V N 2.489 122.538 119.914 0.224 0.000 2.485 157 V HA 0.041 4.161 4.120 -0.000 0.000 0.287 157 V C -1.968 174.232 176.094 0.176 0.000 1.022 157 V CA -1.097 61.354 62.300 0.253 0.000 1.067 157 V CB 0.212 32.208 31.823 0.288 0.000 0.967 157 V HN 0.602 nan 8.190 nan 0.000 0.479 158 P HA 0.117 nan 4.420 nan 0.000 0.258 158 P C 1.003 178.293 177.300 -0.017 0.000 1.172 158 P CA 1.626 64.742 63.100 0.027 0.000 0.762 158 P CB 0.307 32.010 31.700 0.004 0.000 0.764 159 G N 1.492 110.227 108.800 -0.108 0.000 2.199 159 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.254 159 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.254 159 G C 0.221 174.829 174.900 -0.487 0.000 0.982 159 G CA -0.223 44.697 45.100 -0.301 0.000 0.632 159 G HN 0.657 nan 8.290 nan 0.000 0.529 160 H N -1.041 118.051 119.070 0.036 0.000 2.855 160 H HA 0.443 4.998 4.556 -0.000 0.000 0.363 160 H C 0.163 175.518 175.328 0.044 0.000 1.185 160 H CA -0.693 55.380 56.048 0.041 0.000 1.174 160 H CB 1.166 30.958 29.762 0.050 0.000 1.857 160 H HN 0.128 nan 8.280 nan 0.000 0.565 161 N N 0.301 119.113 118.700 0.188 0.000 2.321 161 N HA 0.059 4.799 4.740 -0.000 0.000 0.242 161 N C -0.347 175.226 175.510 0.105 0.000 1.141 161 N CA -0.212 52.908 53.050 0.116 0.000 0.864 161 N CB 0.588 39.128 38.487 0.089 0.000 1.100 161 N HN 0.365 nan 8.380 nan 0.000 0.510 162 R N -1.091 119.481 120.500 0.120 0.000 2.732 162 R HA 0.457 4.797 4.340 -0.000 0.000 0.278 162 R C -0.794 175.565 176.300 0.099 0.000 0.976 162 R CA -0.662 55.488 56.100 0.084 0.000 0.963 162 R CB 0.743 31.073 30.300 0.051 0.000 1.150 162 R HN -0.190 nan 8.270 nan 0.000 0.478 163 T N 1.921 116.511 114.554 0.060 0.000 2.851 163 T HA 0.012 4.362 4.350 -0.000 0.000 0.298 163 T C -0.735 174.009 174.700 0.073 0.000 0.977 163 T CA -0.219 61.917 62.100 0.061 0.000 1.126 163 T CB 0.317 69.157 68.868 -0.046 0.000 0.916 163 T HN 0.530 nan 8.240 nan 0.000 0.529 164 W N 3.294 124.567 121.300 -0.044 0.000 2.266 164 W HA 0.499 5.159 4.660 -0.000 0.000 0.317 164 W C -0.280 176.175 176.519 -0.107 0.000 1.310 164 W CA -0.330 56.992 57.345 -0.039 0.000 1.207 164 W CB 0.149 29.604 29.460 -0.008 0.000 1.199 164 W HN 0.749 nan 8.180 nan 0.000 0.544 165 A N 5.198 127.490 122.820 -0.881 0.000 2.572 165 A HA 0.438 4.758 4.320 -0.000 0.000 0.295 165 A C -1.593 175.325 177.584 -1.109 0.000 1.072 165 A CA -0.900 50.568 52.037 -0.949 0.000 0.691 165 A CB 1.782 20.602 19.000 -0.299 0.000 1.291 165 A HN 0.578 nan 8.150 nan 0.000 0.404 166 N N 0.717 118.921 118.700 -0.826 0.000 2.524 166 N HA 0.362 5.101 4.740 -0.000 0.000 0.261 166 N C -1.556 173.889 175.510 -0.108 0.000 0.998 166 N CA -0.169 52.655 53.050 -0.376 0.000 0.915 166 N CB 0.675 39.040 38.487 -0.203 0.000 1.187 166 N HN 0.530 nan 8.380 nan 0.000 0.507 167 Y N 1.230 121.418 120.300 -0.186 0.000 2.625 167 Y HA 0.088 4.638 4.550 -0.000 0.000 0.285 167 Y C 2.127 177.896 175.900 -0.218 0.000 1.168 167 Y CA -0.122 57.848 58.100 -0.217 0.000 1.250 167 Y CB 0.129 38.450 38.460 -0.232 0.000 1.130 167 Y HN 0.595 nan 8.280 nan 0.000 0.526 168 S N -0.833 114.866 115.700 -0.003 0.000 2.370 168 S HA -0.244 4.226 4.470 -0.000 0.000 0.226 168 S C 1.660 176.209 174.600 -0.086 0.000 1.033 168 S CA 1.633 59.820 58.200 -0.021 0.000 1.011 168 S CB -0.221 62.992 63.200 0.023 0.000 0.852 168 S HN 0.574 nan 8.310 nan 0.000 0.457 169 E N 0.488 120.630 120.200 -0.097 0.000 2.110 169 E HA -0.088 4.262 4.350 -0.000 0.000 0.193 169 E C 2.266 178.656 176.600 -0.350 0.000 0.988 169 E CA 1.346 57.647 56.400 -0.165 0.000 0.804 169 E CB -0.495 29.143 29.700 -0.102 0.000 0.745 169 E HN 0.640 nan 8.360 nan 0.000 0.458 170 c N 0.498 118.813 118.600 -0.474 0.000 2.435 170 c HA -0.066 4.504 4.570 -0.000 0.000 0.279 170 c C 2.580 176.253 174.090 -0.695 0.000 1.321 170 c CA 0.663 56.500 56.329 -0.821 0.000 1.752 170 c CB -0.839 40.842 42.510 -1.381 0.000 1.959 170 c HN 0.382 nan 8.230 nan 0.000 0.500 171 V N -0.960 118.721 119.914 -0.388 0.000 3.647 171 V HA 0.126 4.246 4.120 -0.000 0.000 0.279 171 V C 1.990 178.017 176.094 -0.112 0.000 1.314 171 V CA 0.753 62.961 62.300 -0.154 0.000 1.125 171 V CB -0.899 30.895 31.823 -0.047 0.000 0.907 171 V HN 0.497 nan 8.190 nan 0.000 0.434 172 K N 0.938 121.201 120.400 -0.228 0.000 2.127 172 K HA -0.185 4.134 4.320 -0.000 0.000 0.208 172 K C 1.648 178.289 176.600 0.069 0.000 1.047 172 K CA 2.398 58.602 56.287 -0.138 0.000 0.927 172 K CB -0.347 32.001 32.500 -0.255 0.000 0.716 172 K HN 0.659 nan 8.250 nan 0.000 0.450 173 F N 0.815 120.775 119.950 0.017 0.000 2.780 173 F HA 0.084 4.611 4.527 -0.000 0.000 0.299 173 F C 0.351 176.181 175.800 0.051 0.000 1.146 173 F CA -0.637 57.384 58.000 0.036 0.000 1.428 173 F CB 0.251 39.270 39.000 0.032 0.000 1.115 173 F HN -0.137 nan 8.300 nan 0.000 0.583 174 L N 2.334 123.680 121.223 0.205 0.000 2.295 174 L HA 0.253 4.593 4.340 -0.000 0.000 0.288 174 L C 0.296 177.234 176.870 0.112 0.000 1.079 174 L CA -0.283 54.646 54.840 0.148 0.000 0.830 174 L CB 0.098 42.231 42.059 0.123 0.000 1.200 174 L HN 0.060 nan 8.230 nan 0.000 0.438 175 T N 0.000 114.617 114.554 0.105 0.000 3.816 175 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 175 T CA 0.000 62.150 62.100 0.083 0.000 1.349 175 T CB 0.000 68.921 68.868 0.089 0.000 0.612 175 T HN 0.000 nan 8.240 nan 0.000 0.658