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 2ae4_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGL VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.448 174.600 -0.253 0.000 1.055 1 S CA 0.000 57.990 58.200 -0.350 0.000 1.107 1 S CB 0.000 63.121 63.200 -0.131 0.000 0.593 2 N N 1.401 119.825 118.700 -0.460 0.000 2.362 2 N HA 0.807 5.547 4.740 -0.000 0.000 0.299 2 N C -1.138 174.236 175.510 -0.228 0.000 1.170 2 N CA -0.715 52.111 53.050 -0.373 0.000 0.825 2 N CB 1.960 39.963 38.487 -0.806 0.000 1.299 2 N HN 0.769 nan 8.380 nan 0.000 0.502 3 S N -0.382 115.262 115.700 -0.094 0.000 2.592 3 S HA 0.568 5.038 4.470 -0.000 0.000 0.275 3 S C -1.904 172.866 174.600 0.284 0.000 1.169 3 S CA -0.959 57.291 58.200 0.084 0.000 0.958 3 S CB 0.986 64.299 63.200 0.189 0.000 1.095 3 S HN 0.455 nan 8.310 nan 0.000 0.471 4 W N 1.318 122.774 121.300 0.259 0.000 2.915 4 W HA 0.820 5.480 4.660 -0.000 0.000 0.337 4 W C -0.405 176.309 176.519 0.324 0.000 1.102 4 W CA -1.140 56.392 57.345 0.313 0.000 1.224 4 W CB 2.191 31.850 29.460 0.333 0.000 1.416 4 W HN 1.099 nan 8.180 nan 0.000 0.503 5 A N 2.268 125.390 122.820 0.503 0.000 2.422 5 A HA 0.851 5.171 4.320 -0.000 0.000 0.302 5 A C -1.716 176.009 177.584 0.235 0.000 1.041 5 A CA -0.589 51.632 52.037 0.306 0.000 0.708 5 A CB 1.566 20.700 19.000 0.224 0.000 1.257 5 A HN 0.283 nan 8.150 nan 0.000 0.414 6 V N 1.569 121.540 119.914 0.094 0.000 2.588 6 V HA 0.714 4.834 4.120 -0.000 0.000 0.304 6 V C 0.647 176.737 176.094 -0.008 0.000 1.042 6 V CA -0.367 61.957 62.300 0.040 0.000 0.877 6 V CB 1.582 33.346 31.823 -0.099 0.000 0.996 6 V HN 1.330 nan 8.190 nan 0.000 0.425 7 A N 5.737 128.565 122.820 0.013 0.000 2.304 7 A HA 0.651 4.971 4.320 -0.000 0.000 0.271 7 A C -1.552 176.014 177.584 -0.031 0.000 1.091 7 A CA -1.283 50.746 52.037 -0.014 0.000 0.812 7 A CB 0.262 19.259 19.000 -0.005 0.000 1.056 7 A HN 0.684 nan 8.150 nan 0.000 0.489 8 P HA -0.153 nan 4.420 nan 0.000 0.216 8 P C 1.584 178.865 177.300 -0.033 0.000 1.150 8 P CA 2.053 65.131 63.100 -0.036 0.000 0.843 8 P CB 0.083 31.765 31.700 -0.029 0.000 0.787 9 G N -0.379 108.407 108.800 -0.024 0.000 2.470 9 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 9 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 9 G C 1.484 176.372 174.900 -0.020 0.000 1.121 9 G CA 0.540 45.629 45.100 -0.019 0.000 0.766 9 G HN 0.303 nan 8.290 nan 0.000 0.553 10 K N 0.568 120.956 120.400 -0.021 0.000 2.444 10 K HA 0.100 4.420 4.320 -0.000 0.000 0.193 10 K C 0.723 177.290 176.600 -0.055 0.000 1.024 10 K CA 0.420 56.691 56.287 -0.028 0.000 1.077 10 K CB 0.099 32.594 32.500 -0.008 0.000 0.833 10 K HN 0.398 nan 8.250 nan 0.000 0.517 11 T N -4.562 109.956 114.554 -0.059 0.000 2.950 11 T HA 0.566 4.916 4.350 -0.000 0.000 0.288 11 T C 0.970 175.636 174.700 -0.057 0.000 1.035 11 T CA -0.566 61.490 62.100 -0.074 0.000 1.028 11 T CB 1.853 70.665 68.868 -0.093 0.000 1.109 11 T HN -0.043 nan 8.240 nan 0.000 0.514 12 A N 1.202 123.988 122.820 -0.058 0.000 1.898 12 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 12 A C 2.033 179.593 177.584 -0.040 0.000 1.183 12 A CA 0.696 52.706 52.037 -0.045 0.000 0.622 12 A CB -0.776 18.198 19.000 -0.045 0.000 0.824 12 A HN 0.763 nan 8.150 nan 0.000 0.444 13 N N -1.023 117.650 118.700 -0.044 0.000 2.422 13 N HA 0.165 4.905 4.740 -0.000 0.000 0.181 13 N C 1.070 176.561 175.510 -0.031 0.000 1.080 13 N CA 1.099 54.128 53.050 -0.036 0.000 0.893 13 N CB 0.407 38.870 38.487 -0.039 0.000 0.973 13 N HN 0.646 nan 8.380 nan 0.000 0.456 14 G N 0.447 109.225 108.800 -0.036 0.000 2.131 14 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.223 14 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.223 14 G C -0.532 174.353 174.900 -0.026 0.000 0.990 14 G CA -0.315 44.767 45.100 -0.029 0.000 0.671 14 G HN 0.436 nan 8.290 nan 0.000 0.521 15 N N 0.230 118.910 118.700 -0.034 0.000 2.321 15 N HA 0.694 5.434 4.740 -0.000 0.000 0.299 15 N C 0.317 175.809 175.510 -0.029 0.000 1.048 15 N CA -0.174 52.867 53.050 -0.015 0.000 0.836 15 N CB 1.728 40.210 38.487 -0.009 0.000 1.269 15 N HN 0.566 nan 8.380 nan 0.000 0.486 16 A N 2.010 124.837 122.820 0.012 0.000 2.466 16 A HA 0.387 4.706 4.320 -0.000 0.000 0.238 16 A C -0.362 177.227 177.584 0.008 0.000 1.074 16 A CA 0.073 52.109 52.037 -0.001 0.000 0.774 16 A CB 0.037 19.030 19.000 -0.013 0.000 1.015 16 A HN 0.629 nan 8.150 nan 0.000 0.498 17 L N 1.007 122.147 121.223 -0.138 0.000 2.362 17 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 17 L C -0.837 175.933 176.870 -0.167 0.000 1.002 17 L CA -0.806 53.813 54.840 -0.369 0.000 0.818 17 L CB 1.736 43.175 42.059 -1.033 0.000 1.298 17 L HN 0.663 nan 8.230 nan 0.000 0.420 18 L N 3.139 124.340 121.223 -0.037 0.000 2.431 18 L HA 0.640 4.980 4.340 -0.000 0.000 0.266 18 L C -1.507 175.576 176.870 0.356 0.000 0.978 18 L CA -0.458 54.516 54.840 0.223 0.000 0.822 18 L CB 2.064 44.279 42.059 0.260 0.000 1.310 18 L HN 0.491 nan 8.230 nan 0.000 0.409 19 L N 4.063 125.571 121.223 0.475 0.000 2.313 19 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 19 L C -0.948 175.992 176.870 0.117 0.000 1.013 19 L CA 0.149 55.140 54.840 0.252 0.000 0.816 19 L CB 1.585 43.715 42.059 0.118 0.000 1.236 19 L HN 0.728 nan 8.230 nan 0.000 0.419 20 Q N 4.742 124.561 119.800 0.033 0.000 2.307 20 Q HA 0.408 4.748 4.340 -0.000 0.000 0.262 20 Q C -0.600 175.282 176.000 -0.197 0.000 0.961 20 Q CA -0.167 55.678 55.803 0.069 0.000 0.882 20 Q CB 1.329 30.233 28.738 0.278 0.000 1.264 20 Q HN 0.749 nan 8.270 nan 0.000 0.446 21 N N 2.347 120.909 118.700 -0.230 0.000 2.658 21 N HA 0.127 4.866 4.740 -0.000 0.000 0.238 21 N C -2.809 172.354 175.510 -0.578 0.000 1.495 21 N CA -0.952 51.834 53.050 -0.439 0.000 0.883 21 N CB 0.962 39.164 38.487 -0.475 0.000 1.463 21 N HN 0.331 nan 8.380 nan 0.000 0.531 22 P HA 0.117 nan 4.420 nan 0.000 0.275 22 P C -1.152 175.881 177.300 -0.444 0.000 1.227 22 P CA 0.456 63.295 63.100 -0.435 0.000 0.781 22 P CB 0.709 32.090 31.700 -0.533 0.000 0.906 23 H N 2.021 121.014 119.070 -0.129 0.000 2.551 23 H HA 0.566 5.122 4.556 -0.000 0.000 0.321 23 H C 0.100 175.348 175.328 -0.132 0.000 1.028 23 H CA -0.649 55.247 56.048 -0.254 0.000 1.215 23 H CB 1.023 30.553 29.762 -0.386 0.000 1.414 23 H HN 0.244 nan 8.280 nan 0.000 0.480 24 L N 0.795 122.040 121.223 0.037 0.000 2.397 24 L HA 0.336 4.676 4.340 -0.000 0.000 0.251 24 L C 0.149 177.234 176.870 0.358 0.000 1.064 24 L CA -1.153 53.777 54.840 0.150 0.000 0.859 24 L CB 2.321 44.332 42.059 -0.081 0.000 1.468 24 L HN 0.477 nan 8.230 nan 0.000 0.411 25 S N -0.449 115.503 115.700 0.419 0.000 2.558 25 S HA -0.056 4.414 4.470 -0.000 0.000 0.291 25 S C 0.202 175.133 174.600 0.551 0.000 1.306 25 S CA 0.202 58.663 58.200 0.435 0.000 1.056 25 S CB 0.208 63.615 63.200 0.345 0.000 0.836 25 S HN 0.447 nan 8.310 nan 0.000 0.504 26 W N 2.527 123.965 121.300 0.231 0.000 3.047 26 W HA 0.135 4.795 4.660 -0.000 0.000 0.250 26 W C 2.330 178.918 176.519 0.115 0.000 1.314 26 W CA 0.666 58.189 57.345 0.298 0.000 1.540 26 W CB -1.159 28.479 29.460 0.296 0.000 1.127 26 W HN 0.940 nan 8.180 nan 0.000 0.679 27 T N -5.849 108.866 114.554 0.268 0.000 3.019 27 T HA 0.086 4.436 4.350 -0.000 0.000 0.247 27 T C 0.928 175.613 174.700 -0.026 0.000 0.992 27 T CA 0.178 62.341 62.100 0.104 0.000 1.036 27 T CB -0.518 68.414 68.868 0.107 0.000 1.063 27 T HN -0.278 nan 8.240 nan 0.000 0.476 28 T N 4.467 118.996 114.554 -0.042 0.000 2.822 28 T HA 0.069 4.419 4.350 -0.000 0.000 0.288 28 T C 1.040 175.517 174.700 -0.372 0.000 0.991 28 T CA 0.503 62.440 62.100 -0.272 0.000 1.176 28 T CB 0.611 69.274 68.868 -0.342 0.000 0.951 28 T HN 0.548 nan 8.240 nan 0.000 0.526 29 D N 3.406 123.567 120.400 -0.398 0.000 2.097 29 D HA -0.225 4.415 4.640 -0.000 0.000 0.195 29 D C 1.676 177.829 176.300 -0.245 0.000 0.989 29 D CA 1.618 55.458 54.000 -0.266 0.000 0.827 29 D CB -0.677 40.023 40.800 -0.167 0.000 0.966 29 D HN 0.844 nan 8.370 nan 0.000 0.456 30 Y N -1.614 118.572 120.300 -0.190 0.000 2.616 30 Y HA 0.259 4.808 4.550 -0.000 0.000 0.296 30 Y C 1.599 177.433 175.900 -0.110 0.000 1.154 30 Y CA -0.222 57.763 58.100 -0.192 0.000 1.325 30 Y CB -1.155 37.151 38.460 -0.257 0.000 1.007 30 Y HN -0.021 nan 8.280 nan 0.000 0.542 31 F N 0.274 120.102 119.950 -0.203 0.000 2.727 31 F HA 0.172 4.699 4.527 -0.000 0.000 0.302 31 F C 0.630 176.210 175.800 -0.366 0.000 1.097 31 F CA -0.520 57.355 58.000 -0.207 0.000 1.330 31 F CB 0.310 39.225 39.000 -0.141 0.000 1.084 31 F HN -0.157 nan 8.300 nan 0.000 0.578 32 T N 0.994 115.470 114.554 -0.129 0.000 2.834 32 T HA 0.045 4.395 4.350 -0.000 0.000 0.298 32 T C -0.524 174.092 174.700 -0.139 0.000 0.966 32 T CA 0.365 62.338 62.100 -0.211 0.000 1.141 32 T CB 0.097 68.817 68.868 -0.246 0.000 0.905 32 T HN 0.021 nan 8.240 nan 0.000 0.535 33 Y N 1.676 122.092 120.300 0.193 0.000 2.335 33 Y HA 0.483 5.033 4.550 -0.000 0.000 0.323 33 Y C -0.166 175.849 175.900 0.193 0.000 1.224 33 Y CA -0.913 57.282 58.100 0.158 0.000 1.241 33 Y CB 1.012 39.529 38.460 0.094 0.000 1.235 33 Y HN 0.565 nan 8.280 nan 0.000 0.492 34 Y N 1.970 122.332 120.300 0.103 0.000 2.421 34 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 34 Y C -0.898 174.880 175.900 -0.203 0.000 0.996 34 Y CA -1.579 56.503 58.100 -0.030 0.000 1.046 34 Y CB 1.531 39.967 38.460 -0.040 0.000 1.226 34 Y HN 0.650 nan 8.280 nan 0.000 0.445 35 E N 4.109 123.907 120.200 -0.669 0.000 2.204 35 E HA 0.815 5.165 4.350 -0.000 0.000 0.276 35 E C -1.537 174.484 176.600 -0.964 0.000 0.974 35 E CA -0.593 55.319 56.400 -0.814 0.000 0.815 35 E CB 1.233 30.564 29.700 -0.615 0.000 1.119 35 E HN 0.847 nan 8.360 nan 0.000 0.393 36 A N 3.787 126.107 122.820 -0.835 0.000 2.586 36 A HA 0.393 4.713 4.320 -0.000 0.000 0.290 36 A C -1.949 175.230 177.584 -0.674 0.000 1.086 36 A CA -0.608 51.033 52.037 -0.659 0.000 0.665 36 A CB 1.397 20.121 19.000 -0.459 0.000 1.279 36 A HN 0.813 nan 8.150 nan 0.000 0.423 37 H N 0.157 118.925 119.070 -0.504 0.000 2.840 37 H HA 0.635 5.191 4.556 -0.000 0.000 0.340 37 H C -2.020 173.239 175.328 -0.115 0.000 1.004 37 H CA -0.677 55.167 56.048 -0.339 0.000 1.288 37 H CB 0.929 30.571 29.762 -0.200 0.000 1.607 37 H HN 0.485 nan 8.280 nan 0.000 0.522 38 L N 5.765 127.115 121.223 0.211 0.000 2.341 38 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 38 L C -0.957 175.967 176.870 0.090 0.000 1.005 38 L CA -0.675 54.240 54.840 0.126 0.000 0.818 38 L CB 1.925 44.135 42.059 0.251 0.000 1.259 38 L HN 0.402 nan 8.230 nan 0.000 0.418 39 V N 1.672 121.522 119.914 -0.107 0.000 2.525 39 V HA 0.749 4.869 4.120 -0.000 0.000 0.299 39 V C -0.042 175.876 176.094 -0.294 0.000 1.034 39 V CA -0.487 61.700 62.300 -0.189 0.000 0.863 39 V CB 2.006 33.720 31.823 -0.181 0.000 0.999 39 V HN 0.873 nan 8.190 nan 0.000 0.423 40 T N 2.025 116.286 114.554 -0.489 0.000 2.858 40 T HA 0.583 4.933 4.350 -0.000 0.000 0.285 40 T C -2.205 172.355 174.700 -0.233 0.000 1.052 40 T CA -1.938 59.933 62.100 -0.382 0.000 1.009 40 T CB 2.095 70.634 68.868 -0.548 0.000 1.241 40 T HN 0.330 nan 8.240 nan 0.000 0.542 41 P HA 0.075 nan 4.420 nan 0.000 0.220 41 P C 0.461 177.748 177.300 -0.021 0.000 1.148 41 P CA 0.885 63.953 63.100 -0.053 0.000 0.803 41 P CB 0.077 31.764 31.700 -0.022 0.000 0.782 42 D N -2.159 118.230 120.400 -0.017 0.000 2.417 42 D HA 0.157 4.797 4.640 -0.000 0.000 0.207 42 D C 0.464 176.884 176.300 0.200 0.000 1.075 42 D CA 0.317 54.374 54.000 0.096 0.000 0.851 42 D CB 0.366 41.265 40.800 0.166 0.000 0.976 42 D HN 0.260 nan 8.370 nan 0.000 0.505 43 F N -0.279 119.719 119.950 0.080 0.000 2.711 43 F HA 0.642 5.169 4.527 -0.000 0.000 0.313 43 F C -1.430 174.425 175.800 0.092 0.000 1.141 43 F CA -1.277 56.766 58.000 0.072 0.000 0.941 43 F CB 1.716 40.750 39.000 0.057 0.000 1.349 43 F HN -0.305 nan 8.300 nan 0.000 0.464 44 E N 2.405 122.830 120.200 0.375 0.000 2.304 44 E HA 0.653 5.003 4.350 -0.000 0.000 0.277 44 E C -1.887 174.909 176.600 0.327 0.000 0.898 44 E CA -0.896 55.682 56.400 0.297 0.000 0.764 44 E CB 2.624 32.445 29.700 0.202 0.000 1.216 44 E HN 0.901 nan 8.360 nan 0.000 0.419 45 I N 1.391 122.153 120.570 0.321 0.000 2.569 45 I HA 0.578 4.748 4.170 -0.000 0.000 0.290 45 I C -1.883 174.252 176.117 0.029 0.000 1.088 45 I CA -0.991 60.403 61.300 0.156 0.000 1.047 45 I CB 1.743 39.850 38.000 0.178 0.000 1.237 45 I HN 0.620 nan 8.210 nan 0.000 0.421 46 Y N 4.623 124.704 120.300 -0.366 0.000 2.446 46 Y HA 0.854 5.404 4.550 -0.000 0.000 0.345 46 Y C 0.206 175.821 175.900 -0.474 0.000 0.984 46 Y CA 0.578 58.338 58.100 -0.567 0.000 1.058 46 Y CB 2.114 39.950 38.460 -1.040 0.000 1.220 46 Y HN 1.125 nan 8.280 nan 0.000 0.455 47 G N 1.847 110.407 108.800 -0.400 0.000 2.339 47 G HA2 0.438 4.398 3.960 -0.000 0.000 0.275 47 G HA3 0.438 4.398 3.960 -0.000 0.000 0.275 47 G C -2.036 172.500 174.900 -0.607 0.000 1.323 47 G CA -0.372 44.585 45.100 -0.239 0.000 0.927 47 G HN 1.035 nan 8.290 nan 0.000 0.486 48 A N -1.318 121.087 122.820 -0.693 0.000 2.354 48 A HA 0.997 5.317 4.320 -0.000 0.000 0.321 48 A C -0.057 177.431 177.584 -0.160 0.000 1.125 48 A CA 0.248 51.855 52.037 -0.718 0.000 0.799 48 A CB 2.058 20.178 19.000 -1.466 0.000 1.293 48 A HN 1.907 nan 8.150 nan 0.000 0.452 49 T N -0.138 114.447 114.554 0.051 0.000 2.830 49 T HA 0.398 4.748 4.350 -0.000 0.000 0.322 49 T C -1.327 173.569 174.700 0.327 0.000 1.501 49 T CA -0.463 61.787 62.100 0.249 0.000 1.036 49 T CB 1.149 70.066 68.868 0.083 0.000 1.379 49 T HN 0.732 nan 8.240 nan 0.000 0.493 50 Q N 2.185 122.144 119.800 0.264 0.000 2.361 50 Q HA 0.388 4.728 4.340 -0.000 0.000 0.276 50 Q C 0.558 176.599 176.000 0.069 0.000 1.022 50 Q CA -0.045 55.815 55.803 0.094 0.000 0.898 50 Q CB 0.196 28.990 28.738 0.093 0.000 1.246 50 Q HN 0.636 nan 8.270 nan 0.000 0.410 51 I N -1.137 119.444 120.570 0.018 0.000 2.815 51 I HA 0.235 4.405 4.170 -0.000 0.000 0.291 51 I C 1.123 177.220 176.117 -0.034 0.000 1.209 51 I CA 0.654 61.930 61.300 -0.041 0.000 1.431 51 I CB 0.032 37.971 38.000 -0.103 0.000 1.351 51 I HN 0.800 nan 8.210 nan 0.000 0.585 52 G N 4.814 113.578 108.800 -0.060 0.000 2.217 52 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 52 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 52 G C 0.101 174.984 174.900 -0.028 0.000 0.990 52 G CA 0.047 45.118 45.100 -0.049 0.000 0.627 52 G HN 0.644 nan 8.290 nan 0.000 0.522 53 L N 2.008 123.227 121.223 -0.007 0.000 2.319 53 L HA 0.359 4.699 4.340 -0.000 0.000 0.280 53 L C -0.564 176.298 176.870 -0.012 0.000 1.099 53 L CA -1.495 53.344 54.840 -0.002 0.000 0.828 53 L CB 1.222 43.287 42.059 0.011 0.000 1.150 53 L HN 0.012 nan 8.230 nan 0.000 0.442 54 P HA 0.024 nan 4.420 nan 0.000 0.249 54 P C -0.257 177.023 177.300 -0.034 0.000 1.229 54 P CA 0.340 63.414 63.100 -0.043 0.000 0.788 54 P CB 0.252 31.908 31.700 -0.074 0.000 1.072 55 V N -3.088 116.820 119.914 -0.011 0.000 2.914 55 V HA 0.533 4.653 4.120 -0.000 0.000 0.314 55 V C -0.317 175.766 176.094 -0.019 0.000 1.084 55 V CA -1.503 60.811 62.300 0.023 0.000 0.963 55 V CB 2.373 34.247 31.823 0.086 0.000 1.025 55 V HN -0.247 nan 8.190 nan 0.000 0.432 56 I N 3.633 124.204 120.570 0.001 0.000 2.322 56 I HA 0.427 4.597 4.170 -0.000 0.000 0.292 56 I C 1.481 177.537 176.117 -0.101 0.000 1.060 56 I CA -0.210 61.069 61.300 -0.034 0.000 1.309 56 I CB 1.010 38.997 38.000 -0.022 0.000 1.415 56 I HN 0.717 nan 8.210 nan 0.000 0.492 57 R N 4.071 124.449 120.500 -0.203 0.000 2.115 57 R HA 0.030 4.370 4.340 -0.000 0.000 0.226 57 R C -0.086 175.981 176.300 -0.387 0.000 1.100 57 R CA 1.129 56.930 56.100 -0.499 0.000 0.980 57 R CB 0.074 29.985 30.300 -0.648 0.000 0.875 57 R HN 0.384 nan 8.270 nan 0.000 0.445 58 F N 0.822 120.719 119.950 -0.088 0.000 2.318 58 F HA 0.411 4.938 4.527 -0.000 0.000 0.356 58 F C 0.106 175.974 175.800 0.113 0.000 1.109 58 F CA -0.773 57.247 58.000 0.033 0.000 1.234 58 F CB 0.974 39.976 39.000 0.004 0.000 1.545 58 F HN -0.079 nan 8.300 nan 0.000 0.534 59 A N 3.125 126.093 122.820 0.248 0.000 2.356 59 A HA 0.940 5.260 4.320 -0.000 0.000 0.323 59 A C -1.097 176.703 177.584 0.361 0.000 1.119 59 A CA -0.544 51.624 52.037 0.219 0.000 0.790 59 A CB 1.368 20.441 19.000 0.122 0.000 1.273 59 A HN 0.563 nan 8.150 nan 0.000 0.452 60 F N 0.392 120.465 119.950 0.204 0.000 2.686 60 F HA 0.826 5.353 4.527 -0.000 0.000 0.311 60 F C -0.699 175.208 175.800 0.178 0.000 1.128 60 F CA -0.880 57.246 58.000 0.211 0.000 0.946 60 F CB 1.226 40.353 39.000 0.213 0.000 1.336 60 F HN 0.744 nan 8.300 nan 0.000 0.457 61 N N -0.891 118.022 118.700 0.354 0.000 3.587 61 N HA 0.211 4.950 4.740 -0.000 0.000 0.339 61 N C -0.215 175.484 175.510 0.315 0.000 1.636 61 N CA -0.620 52.541 53.050 0.185 0.000 0.788 61 N CB 0.170 38.739 38.487 0.137 0.000 2.205 61 N HN 0.558 nan 8.380 nan 0.000 0.600 62 Q N -0.549 119.378 119.800 0.211 0.000 2.297 62 Q HA 0.058 4.398 4.340 -0.000 0.000 0.204 62 Q C 1.261 177.413 176.000 0.253 0.000 0.962 62 Q CA 0.958 56.884 55.803 0.205 0.000 0.879 62 Q CB 0.207 29.022 28.738 0.129 0.000 0.947 62 Q HN 0.586 nan 8.270 nan 0.000 0.462 63 R N -0.324 120.304 120.500 0.213 0.000 2.123 63 R HA 0.147 4.487 4.340 -0.000 0.000 0.209 63 R C 0.706 176.967 176.300 -0.064 0.000 1.078 63 R CA 0.559 56.725 56.100 0.110 0.000 1.028 63 R CB 0.510 30.853 30.300 0.071 0.000 0.939 63 R HN 0.227 nan 8.270 nan 0.000 0.463 64 M N -2.765 116.812 119.600 -0.038 0.000 2.813 64 M HA 0.645 5.125 4.480 -0.000 0.000 0.270 64 M C -0.894 175.377 176.300 -0.049 0.000 1.267 64 M CA -0.990 54.023 55.300 -0.479 0.000 0.822 64 M CB 2.378 34.718 32.600 -0.434 0.000 1.671 64 M HN -0.033 nan 8.290 nan 0.000 0.468 65 G N 0.618 109.280 108.800 -0.231 0.000 2.677 65 G HA2 0.756 4.716 3.960 -0.000 0.000 0.291 65 G HA3 0.756 4.716 3.960 -0.000 0.000 0.291 65 G C -1.809 173.067 174.900 -0.039 0.000 1.435 65 G CA -0.952 44.240 45.100 0.153 0.000 0.826 65 G HN 1.266 nan 8.290 nan 0.000 0.491 66 I N -2.209 118.430 120.570 0.117 0.000 3.108 66 I HA 0.957 5.127 4.170 -0.000 0.000 0.312 66 I C -0.555 175.653 176.117 0.152 0.000 1.095 66 I CA -0.923 60.447 61.300 0.117 0.000 1.000 66 I CB 2.527 40.624 38.000 0.162 0.000 1.229 66 I HN 0.662 nan 8.210 nan 0.000 0.454 67 T N 0.977 115.598 114.554 0.112 0.000 2.816 67 T HA 0.483 4.833 4.350 -0.000 0.000 0.299 67 T C -1.563 173.101 174.700 -0.060 0.000 1.230 67 T CA -0.748 61.382 62.100 0.049 0.000 1.007 67 T CB 1.740 70.763 68.868 0.259 0.000 1.289 67 T HN 0.840 nan 8.240 nan 0.000 0.508 68 N N 1.271 119.849 118.700 -0.203 0.000 2.229 68 N HA 0.613 5.353 4.740 -0.000 0.000 0.298 68 N C -1.109 174.455 175.510 0.090 0.000 1.114 68 N CA -0.637 52.319 53.050 -0.157 0.000 0.776 68 N CB 2.383 40.532 38.487 -0.564 0.000 1.501 68 N HN 0.830 nan 8.380 nan 0.000 0.474 69 T N -2.902 111.731 114.554 0.133 0.000 2.896 69 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 69 T C -0.324 174.534 174.700 0.262 0.000 1.108 69 T CA -0.638 61.568 62.100 0.177 0.000 1.004 69 T CB 1.164 70.121 68.868 0.149 0.000 1.159 69 T HN 0.078 nan 8.240 nan 0.000 0.499 70 V N 3.568 123.638 119.914 0.259 0.000 2.572 70 V HA 0.203 4.323 4.120 -0.000 0.000 0.291 70 V C 1.131 177.304 176.094 0.133 0.000 1.039 70 V CA -0.009 62.447 62.300 0.261 0.000 1.055 70 V CB 0.447 32.394 31.823 0.206 0.000 0.969 70 V HN 1.049 nan 8.190 nan 0.000 0.482 71 N N 3.196 121.909 118.700 0.021 0.000 2.197 71 N HA 0.144 4.884 4.740 -0.000 0.000 0.201 71 N C 1.180 176.665 175.510 -0.041 0.000 1.148 71 N CA 0.611 53.624 53.050 -0.061 0.000 0.883 71 N CB 0.633 38.877 38.487 -0.404 0.000 1.012 71 N HN 0.904 nan 8.380 nan 0.000 0.507 72 G N 0.970 109.736 108.800 -0.056 0.000 2.179 72 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 72 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 72 G C 0.033 174.912 174.900 -0.036 0.000 1.010 72 G CA 0.412 45.500 45.100 -0.020 0.000 0.736 72 G HN 0.554 nan 8.290 nan 0.000 0.513 73 M N 0.700 120.211 119.600 -0.149 0.000 2.301 73 M HA 0.233 4.713 4.480 -0.000 0.000 0.404 73 M C 0.678 176.946 176.300 -0.054 0.000 1.497 73 M CA 0.476 55.708 55.300 -0.114 0.000 0.867 73 M CB 0.510 32.962 32.600 -0.247 0.000 2.037 73 M HN 0.265 nan 8.290 nan 0.000 0.496 74 V N 7.318 127.240 119.914 0.013 0.000 2.287 74 V HA 0.252 4.372 4.120 -0.000 0.000 0.246 74 V C 1.354 177.396 176.094 -0.086 0.000 1.165 74 V CA 0.543 62.843 62.300 -0.001 0.000 1.088 74 V CB -0.774 31.088 31.823 0.064 0.000 1.242 74 V HN 1.068 nan 8.190 nan 0.000 0.497 75 G N 2.792 111.538 108.800 -0.090 0.000 3.189 75 G HA2 0.546 4.506 3.960 -0.000 0.000 0.225 75 G HA3 0.546 4.506 3.960 -0.000 0.000 0.225 75 G C 0.372 175.243 174.900 -0.048 0.000 1.159 75 G CA 0.685 45.709 45.100 -0.126 0.000 0.763 75 G HN 0.808 nan 8.290 nan 0.000 0.549 76 A N -0.760 122.071 122.820 0.018 0.000 2.556 76 A HA 0.840 5.160 4.320 -0.000 0.000 0.294 76 A C -0.772 176.916 177.584 0.174 0.000 1.091 76 A CA -0.451 51.677 52.037 0.153 0.000 0.704 76 A CB 1.610 20.671 19.000 0.102 0.000 1.300 76 A HN 0.032 nan 8.150 nan 0.000 0.406 77 T N 1.461 116.172 114.554 0.262 0.000 2.861 77 T HA 0.461 4.811 4.350 -0.000 0.000 0.287 77 T C -0.707 173.944 174.700 -0.081 0.000 1.003 77 T CA -0.384 61.764 62.100 0.080 0.000 0.977 77 T CB 1.009 69.944 68.868 0.112 0.000 0.996 77 T HN 0.634 nan 8.240 nan 0.000 0.448 78 N N 1.610 120.199 118.700 -0.186 0.000 2.425 78 N HA 0.453 5.193 4.740 -0.000 0.000 0.268 78 N C -1.463 173.879 175.510 -0.279 0.000 0.991 78 N CA -0.519 52.450 53.050 -0.136 0.000 0.931 78 N CB 1.018 39.455 38.487 -0.083 0.000 1.130 78 N HN 0.514 nan 8.380 nan 0.000 0.493 79 Y N 0.799 121.034 120.300 -0.108 0.000 2.331 79 Y HA 0.313 4.863 4.550 -0.000 0.000 0.338 79 Y C 0.538 176.369 175.900 -0.116 0.000 0.992 79 Y CA -0.909 57.072 58.100 -0.197 0.000 1.121 79 Y CB 1.111 39.293 38.460 -0.463 0.000 1.184 79 Y HN 0.267 nan 8.280 nan 0.000 0.469 80 R N 4.721 125.246 120.500 0.042 0.000 2.316 80 R HA 0.319 4.659 4.340 -0.000 0.000 0.314 80 R C -1.188 175.181 176.300 0.114 0.000 1.069 80 R CA -0.152 55.981 56.100 0.055 0.000 0.959 80 R CB 0.131 30.438 30.300 0.011 0.000 0.987 80 R HN 0.754 nan 8.270 nan 0.000 0.446 81 L N 3.311 124.613 121.223 0.132 0.000 2.357 81 L HA 0.291 4.631 4.340 -0.000 0.000 0.273 81 L C 0.291 177.268 176.870 0.178 0.000 1.080 81 L CA -0.461 54.488 54.840 0.183 0.000 0.803 81 L CB 1.843 44.014 42.059 0.186 0.000 1.174 81 L HN 0.585 nan 8.230 nan 0.000 0.443 82 T N 3.887 118.567 114.554 0.211 0.000 2.781 82 T HA 0.378 4.728 4.350 -0.000 0.000 0.305 82 T C -0.113 174.706 174.700 0.198 0.000 1.001 82 T CA -0.550 61.653 62.100 0.172 0.000 0.950 82 T CB 0.435 69.393 68.868 0.149 0.000 0.955 82 T HN 0.076 nan 8.240 nan 0.000 0.471 83 L N 3.532 124.864 121.223 0.181 0.000 2.371 83 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 83 L C 0.336 177.279 176.870 0.122 0.000 1.124 83 L CA 0.163 55.118 54.840 0.192 0.000 0.816 83 L CB 0.562 42.738 42.059 0.194 0.000 1.129 83 L HN 0.660 nan 8.230 nan 0.000 0.448 84 Q N 2.039 121.897 119.800 0.097 0.000 2.430 84 Q HA 0.179 4.519 4.340 -0.000 0.000 0.253 84 Q C -1.507 174.512 176.000 0.032 0.000 0.945 84 Q CA -0.495 55.340 55.803 0.053 0.000 0.964 84 Q CB 1.218 29.974 28.738 0.031 0.000 1.460 84 Q HN 0.733 nan 8.270 nan 0.000 0.428 85 D N 3.034 123.454 120.400 0.033 0.000 2.699 85 D HA -0.203 4.437 4.640 -0.000 0.000 0.239 85 D C 0.729 177.048 176.300 0.031 0.000 1.136 85 D CA 1.880 55.893 54.000 0.021 0.000 0.668 85 D CB -1.353 39.445 40.800 -0.004 0.000 1.060 85 D HN 1.154 nan 8.370 nan 0.000 0.429 86 G N -1.526 107.318 108.800 0.073 0.000 2.196 86 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.268 86 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.268 86 G C 0.724 175.723 174.900 0.166 0.000 0.975 86 G CA 0.975 46.147 45.100 0.120 0.000 0.648 86 G HN 1.014 nan 8.290 nan 0.000 0.538 87 G N -1.006 107.826 108.800 0.052 0.000 3.257 87 G HA2 0.845 4.805 3.960 -0.000 0.000 0.205 87 G HA3 0.845 4.805 3.960 -0.000 0.000 0.205 87 G C -0.766 174.061 174.900 -0.122 0.000 1.234 87 G CA -0.304 44.693 45.100 -0.173 0.000 0.918 87 G HN 1.278 nan 8.290 nan 0.000 0.602 88 Y N -1.584 118.475 120.300 -0.401 0.000 2.492 88 Y HA 0.732 5.282 4.550 -0.000 0.000 0.346 88 Y C -0.830 175.019 175.900 -0.085 0.000 0.997 88 Y CA -1.766 56.221 58.100 -0.187 0.000 1.025 88 Y CB 1.454 39.790 38.460 -0.207 0.000 1.263 88 Y HN 0.454 nan 8.280 nan 0.000 0.454 89 L N 4.605 125.862 121.223 0.056 0.000 2.462 89 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 89 L C -1.357 175.619 176.870 0.178 0.000 1.166 89 L CA 0.315 55.181 54.840 0.043 0.000 0.880 89 L CB -0.251 41.854 42.059 0.077 0.000 1.142 89 L HN 0.757 nan 8.230 nan 0.000 0.473 90 Y N 4.279 124.524 120.300 -0.091 0.000 2.313 90 Y HA 0.240 4.790 4.550 -0.000 0.000 0.320 90 Y C -0.341 175.527 175.900 -0.053 0.000 1.171 90 Y CA -1.137 56.944 58.100 -0.032 0.000 1.093 90 Y CB 0.836 39.247 38.460 -0.082 0.000 1.224 90 Y HN 0.767 nan 8.280 nan 0.000 0.421 91 D N 4.512 124.709 120.400 -0.339 0.000 2.689 91 D HA -0.170 4.470 4.640 -0.000 0.000 0.237 91 D C 1.213 177.447 176.300 -0.109 0.000 1.148 91 D CA 2.359 56.211 54.000 -0.248 0.000 0.656 91 D CB -1.056 39.571 40.800 -0.288 0.000 1.050 91 D HN 1.328 nan 8.370 nan 0.000 0.426 92 G N -0.946 107.812 108.800 -0.071 0.000 2.268 92 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.240 92 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.240 92 G C 0.315 175.192 174.900 -0.039 0.000 1.010 92 G CA 0.545 45.618 45.100 -0.044 0.000 0.618 92 G HN 0.534 nan 8.290 nan 0.000 0.516 93 Q N -0.347 119.424 119.800 -0.049 0.000 2.377 93 Q HA 0.646 4.986 4.340 -0.000 0.000 0.271 93 Q C -0.099 175.840 176.000 -0.102 0.000 1.077 93 Q CA -0.852 54.913 55.803 -0.063 0.000 0.820 93 Q CB 3.010 31.710 28.738 -0.063 0.000 1.347 93 Q HN 0.178 nan 8.270 nan 0.000 0.444 94 V N 2.217 122.058 119.914 -0.121 0.000 2.572 94 V HA 0.230 4.350 4.120 -0.000 0.000 0.291 94 V C -0.101 175.823 176.094 -0.283 0.000 1.039 94 V CA 0.167 62.351 62.300 -0.193 0.000 1.055 94 V CB 0.873 32.615 31.823 -0.135 0.000 0.969 94 V HN 0.587 nan 8.190 nan 0.000 0.482 95 R N 6.819 127.005 120.500 -0.524 0.000 2.480 95 R HA 0.495 4.835 4.340 -0.000 0.000 0.306 95 R C -2.747 173.134 176.300 -0.699 0.000 0.958 95 R CA -1.852 53.868 56.100 -0.633 0.000 0.861 95 R CB 2.321 32.082 30.300 -0.898 0.000 1.171 95 R HN 0.469 nan 8.270 nan 0.000 0.445 96 P HA 0.098 nan 4.420 nan 0.000 0.274 96 P C -0.836 176.368 177.300 -0.161 0.000 1.231 96 P CA -0.057 62.899 63.100 -0.239 0.000 0.790 96 P CB 0.570 32.211 31.700 -0.098 0.000 0.951 97 F N -0.029 119.986 119.950 0.109 0.000 2.418 97 F HA 0.127 4.654 4.527 -0.000 0.000 0.341 97 F C 1.626 177.441 175.800 0.025 0.000 1.120 97 F CA -0.109 57.956 58.000 0.107 0.000 1.232 97 F CB 0.271 39.304 39.000 0.056 0.000 1.175 97 F HN 0.234 nan 8.300 nan 0.000 0.569 98 E N 3.181 123.500 120.200 0.198 0.000 2.376 98 E HA 0.121 4.471 4.350 -0.000 0.000 0.266 98 E C -0.311 176.342 176.600 0.088 0.000 1.009 98 E CA -0.172 56.286 56.400 0.096 0.000 0.902 98 E CB 0.566 30.291 29.700 0.042 0.000 0.972 98 E HN 0.463 nan 8.360 nan 0.000 0.439 99 R N 2.738 123.267 120.500 0.048 0.000 2.628 99 R HA 0.590 4.929 4.340 -0.000 0.000 0.288 99 R C -0.858 175.437 176.300 -0.008 0.000 0.980 99 R CA -0.999 55.105 56.100 0.006 0.000 0.891 99 R CB 1.956 32.263 30.300 0.011 0.000 1.188 99 R HN 0.424 nan 8.270 nan 0.000 0.450 100 R N 2.007 122.492 120.500 -0.026 0.000 2.575 100 R HA 0.199 4.539 4.340 -0.000 0.000 0.293 100 R C -1.085 175.201 176.300 -0.024 0.000 0.983 100 R CA -0.632 55.456 56.100 -0.021 0.000 0.887 100 R CB 1.864 32.151 30.300 -0.023 0.000 1.184 100 R HN 0.574 nan 8.270 nan 0.000 0.445 101 Q N 2.717 122.507 119.800 -0.016 0.000 2.377 101 Q HA 0.393 4.733 4.340 -0.000 0.000 0.249 101 Q C -0.604 175.392 176.000 -0.007 0.000 1.005 101 Q CA -0.223 55.571 55.803 -0.015 0.000 0.912 101 Q CB 1.679 30.408 28.738 -0.014 0.000 1.223 101 Q HN 0.687 nan 8.270 nan 0.000 0.459 102 A N 2.201 125.022 122.820 0.001 0.000 2.284 102 A HA 0.882 5.202 4.320 -0.000 0.000 0.317 102 A C -0.182 177.418 177.584 0.027 0.000 1.120 102 A CA -0.315 51.734 52.037 0.020 0.000 0.900 102 A CB 1.186 20.206 19.000 0.034 0.000 1.319 102 A HN 0.754 nan 8.150 nan 0.000 0.494 103 S N -1.705 114.024 115.700 0.049 0.000 2.588 103 S HA 0.760 5.230 4.470 -0.000 0.000 0.269 103 S C -1.075 173.594 174.600 0.117 0.000 1.157 103 S CA -0.428 57.785 58.200 0.023 0.000 0.824 103 S CB 0.988 64.160 63.200 -0.046 0.000 1.126 103 S HN 1.852 nan 8.310 nan 0.000 0.464 104 Y N -1.091 119.203 120.300 -0.011 0.000 2.615 104 Y HA 0.906 5.456 4.550 -0.000 0.000 0.341 104 Y C -0.854 175.041 175.900 -0.008 0.000 1.089 104 Y CA -1.368 56.727 58.100 -0.009 0.000 1.049 104 Y CB 0.748 39.203 38.460 -0.007 0.000 1.296 104 Y HN 0.671 nan 8.280 nan 0.000 0.470 105 R N 1.526 122.093 120.500 0.112 0.000 2.457 105 R HA 0.622 4.962 4.340 -0.000 0.000 0.284 105 R C -1.636 174.745 176.300 0.134 0.000 1.024 105 R CA -0.870 55.250 56.100 0.033 0.000 1.025 105 R CB 1.302 31.624 30.300 0.036 0.000 1.063 105 R HN 0.782 nan 8.270 nan 0.000 0.493 106 L N 1.846 123.100 121.223 0.051 0.000 2.376 106 L HA 0.471 4.811 4.340 -0.000 0.000 0.275 106 L C -0.358 176.537 176.870 0.042 0.000 0.987 106 L CA -0.408 54.487 54.840 0.092 0.000 0.828 106 L CB 1.359 43.467 42.059 0.082 0.000 1.249 106 L HN 0.497 nan 8.230 nan 0.000 0.409 107 R N 3.495 124.021 120.500 0.044 0.000 2.570 107 R HA 0.166 4.506 4.340 -0.000 0.000 0.277 107 R C -0.636 175.674 176.300 0.017 0.000 1.039 107 R CA -0.073 56.041 56.100 0.023 0.000 1.065 107 R CB 0.528 30.839 30.300 0.020 0.000 0.964 107 R HN 0.643 nan 8.270 nan 0.000 0.428 108 Q N 1.574 121.378 119.800 0.008 0.000 2.204 108 Q HA 0.242 4.582 4.340 -0.000 0.000 0.254 108 Q C 0.744 176.745 176.000 0.003 0.000 0.981 108 Q CA -0.097 55.709 55.803 0.004 0.000 0.897 108 Q CB 1.600 30.337 28.738 -0.001 0.000 1.273 108 Q HN 0.764 nan 8.270 nan 0.000 0.464 109 A N 1.240 124.061 122.820 0.001 0.000 2.024 109 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 109 A C 1.092 178.675 177.584 -0.002 0.000 1.164 109 A CA 2.103 54.140 52.037 -0.000 0.000 0.643 109 A CB -0.349 18.651 19.000 -0.001 0.000 0.806 109 A HN 0.753 nan 8.150 nan 0.000 0.451 110 D N -2.241 118.158 120.400 -0.002 0.000 2.328 110 D HA 0.259 4.899 4.640 -0.000 0.000 0.226 110 D C 1.157 177.455 176.300 -0.003 0.000 1.066 110 D CA 0.914 54.912 54.000 -0.003 0.000 0.861 110 D CB -0.533 40.264 40.800 -0.004 0.000 0.912 110 D HN 0.759 nan 8.370 nan 0.000 0.521 111 G N 0.377 109.175 108.800 -0.002 0.000 2.176 111 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.253 111 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.253 111 G C 0.552 175.451 174.900 -0.002 0.000 0.979 111 G CA 0.650 45.749 45.100 -0.002 0.000 0.641 111 G HN 0.778 nan 8.290 nan 0.000 0.530 112 T N -0.629 113.924 114.554 -0.003 0.000 2.847 112 T HA 0.660 5.009 4.350 -0.000 0.000 0.279 112 T C 0.442 175.140 174.700 -0.003 0.000 0.984 112 T CA 0.613 62.711 62.100 -0.004 0.000 0.988 112 T CB 1.809 70.674 68.868 -0.006 0.000 1.040 112 T HN 1.233 nan 8.240 nan 0.000 0.528 113 T N -1.277 113.275 114.554 -0.004 0.000 2.918 113 T HA 0.670 5.020 4.350 -0.000 0.000 0.286 113 T C 0.030 174.720 174.700 -0.018 0.000 1.026 113 T CA -0.743 61.353 62.100 -0.006 0.000 1.031 113 T CB 1.228 70.096 68.868 -0.000 0.000 1.046 113 T HN 1.181 nan 8.240 nan 0.000 0.479 114 V N -0.908 118.989 119.914 -0.029 0.000 2.715 114 V HA 0.638 4.758 4.120 -0.000 0.000 0.310 114 V C -0.710 175.334 176.094 -0.084 0.000 1.054 114 V CA -0.995 61.275 62.300 -0.049 0.000 0.928 114 V CB 1.794 33.587 31.823 -0.050 0.000 1.007 114 V HN 0.934 nan 8.190 nan 0.000 0.437 115 D N 2.685 123.030 120.400 -0.093 0.000 2.295 115 D HA 0.344 4.983 4.640 -0.000 0.000 0.248 115 D C -0.459 175.725 176.300 -0.193 0.000 1.154 115 D CA 0.028 53.951 54.000 -0.129 0.000 0.857 115 D CB 1.090 41.839 40.800 -0.085 0.000 1.117 115 D HN 0.653 nan 8.370 nan 0.000 0.468 116 K N 4.935 125.125 120.400 -0.350 0.000 2.274 116 K HA 0.390 4.710 4.320 -0.000 0.000 0.262 116 K C -2.305 174.059 176.600 -0.395 0.000 0.961 116 K CA -1.753 54.278 56.287 -0.427 0.000 0.833 116 K CB 2.327 34.421 32.500 -0.677 0.000 1.102 116 K HN 0.311 nan 8.250 nan 0.000 0.436 117 P HA 0.154 nan 4.420 nan 0.000 0.274 117 P C -1.162 176.107 177.300 -0.053 0.000 1.231 117 P CA -0.597 62.437 63.100 -0.111 0.000 0.790 117 P CB 0.894 32.551 31.700 -0.071 0.000 0.951 118 L N 1.050 122.281 121.223 0.012 0.000 2.541 118 L HA 0.379 4.719 4.340 -0.000 0.000 0.266 118 L C -0.362 176.515 176.870 0.012 0.000 0.966 118 L CA -0.630 54.251 54.840 0.068 0.000 0.871 118 L CB 1.553 43.733 42.059 0.202 0.000 1.232 118 L HN 0.333 nan 8.230 nan 0.000 0.408 119 E N 4.439 124.626 120.200 -0.021 0.000 2.338 119 E HA 0.445 4.795 4.350 -0.000 0.000 0.272 119 E C -1.026 175.520 176.600 -0.090 0.000 1.029 119 E CA -0.224 56.144 56.400 -0.054 0.000 0.872 119 E CB 0.828 30.486 29.700 -0.070 0.000 1.015 119 E HN 0.656 nan 8.360 nan 0.000 0.417 120 I N 5.345 125.857 120.570 -0.097 0.000 2.390 120 I HA 0.315 4.485 4.170 -0.000 0.000 0.283 120 I C -0.127 175.897 176.117 -0.153 0.000 1.016 120 I CA -0.508 60.706 61.300 -0.143 0.000 1.151 120 I CB 1.190 39.128 38.000 -0.103 0.000 1.293 120 I HN 0.379 nan 8.210 nan 0.000 0.458 121 R N 4.118 124.476 120.500 -0.236 0.000 2.407 121 R HA 0.697 5.037 4.340 -0.000 0.000 0.303 121 R C -0.743 175.432 176.300 -0.207 0.000 0.981 121 R CA -0.555 55.397 56.100 -0.246 0.000 0.905 121 R CB 2.015 32.012 30.300 -0.504 0.000 1.099 121 R HN 0.474 nan 8.270 nan 0.000 0.459 122 S N 0.595 116.263 115.700 -0.054 0.000 2.548 122 S HA 0.385 4.855 4.470 -0.000 0.000 0.286 122 S C -0.365 174.303 174.600 0.113 0.000 1.098 122 S CA -0.886 57.304 58.200 -0.017 0.000 0.930 122 S CB 1.998 65.176 63.200 -0.036 0.000 1.070 122 S HN 0.707 nan 8.310 nan 0.000 0.480 123 S N 0.546 116.224 115.700 -0.036 0.000 2.745 123 S HA 0.444 4.914 4.470 -0.000 0.000 0.292 123 S C 1.590 176.013 174.600 -0.295 0.000 1.127 123 S CA -0.266 57.749 58.200 -0.309 0.000 1.007 123 S CB 0.020 62.690 63.200 -0.885 0.000 1.165 123 S HN 0.771 nan 8.310 nan 0.000 0.544 124 V N -1.003 118.634 119.914 -0.461 0.000 2.469 124 V HA -0.181 3.939 4.120 -0.000 0.000 0.251 124 V C 2.084 177.936 176.094 -0.402 0.000 1.064 124 V CA 2.085 64.119 62.300 -0.443 0.000 1.066 124 V CB -2.105 29.363 31.823 -0.591 0.000 0.667 124 V HN 0.915 nan 8.190 nan 0.000 0.461 125 H N 1.425 120.277 119.070 -0.363 0.000 2.326 125 H HA 0.429 4.984 4.556 -0.000 0.000 0.301 125 H C 1.381 176.599 175.328 -0.184 0.000 1.081 125 H CA 1.041 56.870 56.048 -0.366 0.000 1.334 125 H CB -0.085 29.398 29.762 -0.465 0.000 1.385 125 H HN 0.741 nan 8.280 nan 0.000 0.504 126 G N -1.152 107.647 108.800 -0.001 0.000 2.345 126 G HA2 0.089 4.049 3.960 -0.000 0.000 0.285 126 G HA3 0.089 4.049 3.960 -0.000 0.000 0.285 126 G C -2.916 171.985 174.900 0.002 0.000 1.297 126 G CA -1.190 43.919 45.100 0.015 0.000 0.875 126 G HN -0.140 nan 8.290 nan 0.000 0.506 127 P HA 0.389 nan 4.420 nan 0.000 0.266 127 P C -0.235 176.972 177.300 -0.155 0.000 1.195 127 P CA -0.154 62.877 63.100 -0.114 0.000 0.768 127 P CB 1.058 32.697 31.700 -0.101 0.000 0.838 128 V N 4.400 124.105 119.914 -0.348 0.000 2.398 128 V HA 0.425 4.545 4.120 -0.000 0.000 0.286 128 V C -0.121 175.659 176.094 -0.523 0.000 1.026 128 V CA -0.158 61.973 62.300 -0.282 0.000 0.868 128 V CB 0.362 32.001 31.823 -0.307 0.000 0.982 128 V HN 0.355 nan 8.190 nan 0.000 0.443 129 F N 1.793 121.709 119.950 -0.057 0.000 2.538 129 F HA 0.546 5.073 4.527 -0.000 0.000 0.325 129 F C 0.308 176.082 175.800 -0.045 0.000 1.066 129 F CA -0.753 57.216 58.000 -0.050 0.000 0.946 129 F CB 1.767 40.748 39.000 -0.033 0.000 1.199 129 F HN 0.408 nan 8.300 nan 0.000 0.473 130 E N 2.640 122.922 120.200 0.136 0.000 2.145 130 E HA 0.342 4.692 4.350 -0.000 0.000 0.270 130 E C -0.631 176.016 176.600 0.078 0.000 0.906 130 E CA -0.720 55.725 56.400 0.075 0.000 0.761 130 E CB 0.924 30.640 29.700 0.026 0.000 1.116 130 E HN 0.568 nan 8.360 nan 0.000 0.408 131 R N 2.016 122.550 120.500 0.058 0.000 2.738 131 R HA 0.146 4.486 4.340 -0.000 0.000 0.268 131 R C 1.168 177.482 176.300 0.025 0.000 1.062 131 R CA 0.393 56.513 56.100 0.033 0.000 1.158 131 R CB 0.570 30.881 30.300 0.018 0.000 1.046 131 R HN 0.663 nan 8.270 nan 0.000 0.493 132 A N 2.072 124.902 122.820 0.016 0.000 1.958 132 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 132 A C 1.473 179.064 177.584 0.011 0.000 1.178 132 A CA 2.177 54.221 52.037 0.012 0.000 0.642 132 A CB -0.577 18.427 19.000 0.006 0.000 0.816 132 A HN 0.900 nan 8.150 nan 0.000 0.453 133 D N -2.112 118.293 120.400 0.010 0.000 2.363 133 D HA 0.251 4.891 4.640 -0.000 0.000 0.226 133 D C 1.162 177.471 176.300 0.015 0.000 1.020 133 D CA 1.139 55.145 54.000 0.009 0.000 0.892 133 D CB -0.618 40.185 40.800 0.005 0.000 0.900 133 D HN 0.927 nan 8.370 nan 0.000 0.531 134 G N -0.766 108.046 108.800 0.019 0.000 2.176 134 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.232 134 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.232 134 G C 0.372 175.291 174.900 0.032 0.000 0.986 134 G CA 0.180 45.295 45.100 0.024 0.000 0.643 134 G HN 0.455 nan 8.290 nan 0.000 0.522 135 T N 1.715 116.287 114.554 0.030 0.000 2.853 135 T HA 0.529 4.879 4.350 -0.000 0.000 0.298 135 T C 0.639 175.369 174.700 0.050 0.000 0.978 135 T CA 0.676 62.798 62.100 0.037 0.000 1.152 135 T CB 1.556 70.440 68.868 0.026 0.000 0.914 135 T HN 1.360 nan 8.240 nan 0.000 0.539 136 A N 3.905 126.762 122.820 0.063 0.000 2.269 136 A HA 0.572 4.892 4.320 -0.000 0.000 0.302 136 A C -0.156 177.479 177.584 0.085 0.000 1.266 136 A CA -0.576 51.503 52.037 0.070 0.000 0.894 136 A CB 0.209 19.263 19.000 0.090 0.000 1.147 136 A HN 0.692 nan 8.150 nan 0.000 0.537 137 V N 2.461 122.435 119.914 0.100 0.000 2.448 137 V HA 0.635 4.755 4.120 -0.000 0.000 0.295 137 V C 0.457 176.649 176.094 0.164 0.000 1.025 137 V CA -0.390 61.980 62.300 0.117 0.000 0.859 137 V CB 1.476 33.358 31.823 0.098 0.000 0.988 137 V HN 1.085 nan 8.190 nan 0.000 0.431 138 A N 4.379 127.295 122.820 0.160 0.000 2.292 138 A HA 0.765 5.085 4.320 -0.000 0.000 0.319 138 A C -0.556 177.176 177.584 0.246 0.000 1.206 138 A CA -0.498 51.648 52.037 0.181 0.000 0.835 138 A CB 1.470 20.562 19.000 0.153 0.000 1.164 138 A HN 0.856 nan 8.150 nan 0.000 0.505 139 V N 3.719 123.791 119.914 0.263 0.000 2.435 139 V HA 0.623 4.743 4.120 -0.000 0.000 0.290 139 V C 0.032 176.265 176.094 0.231 0.000 1.030 139 V CA -0.713 61.730 62.300 0.238 0.000 0.881 139 V CB 1.302 33.242 31.823 0.195 0.000 0.983 139 V HN 0.912 nan 8.190 nan 0.000 0.445 140 R N 5.275 125.935 120.500 0.267 0.000 2.320 140 R HA 0.638 4.978 4.340 -0.000 0.000 0.319 140 R C -1.701 174.808 176.300 0.349 0.000 0.969 140 R CA -0.442 55.806 56.100 0.247 0.000 0.857 140 R CB 1.610 32.043 30.300 0.222 0.000 1.160 140 R HN 0.614 nan 8.270 nan 0.000 0.491 141 V N 3.862 123.938 119.914 0.271 0.000 2.394 141 V HA 0.512 4.631 4.120 -0.000 0.000 0.282 141 V C 0.483 176.776 176.094 0.333 0.000 1.031 141 V CA -0.802 61.654 62.300 0.261 0.000 0.881 141 V CB 1.357 33.266 31.823 0.144 0.000 0.982 141 V HN 0.897 nan 8.190 nan 0.000 0.451 142 A N 3.400 126.421 122.820 0.335 0.000 2.322 142 A HA 0.656 4.976 4.320 -0.000 0.000 0.269 142 A C 1.315 178.968 177.584 0.114 0.000 1.094 142 A CA 0.359 52.550 52.037 0.256 0.000 0.807 142 A CB 0.217 19.195 19.000 -0.037 0.000 1.047 142 A HN 2.187 nan 8.150 nan 0.000 0.487 143 G N 0.007 108.865 108.800 0.098 0.000 2.147 143 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.244 143 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.244 143 G C 0.482 175.412 174.900 0.050 0.000 1.005 143 G CA 0.431 45.559 45.100 0.048 0.000 0.713 143 G HN 0.792 nan 8.290 nan 0.000 0.515 144 L N 0.560 121.825 121.223 0.069 0.000 2.551 144 L HA 0.114 4.454 4.340 -0.000 0.000 0.228 144 L C 1.732 178.626 176.870 0.040 0.000 1.153 144 L CA 1.251 56.123 54.840 0.053 0.000 0.851 144 L CB -0.096 41.999 42.059 0.060 0.000 0.959 144 L HN 0.471 nan 8.230 nan 0.000 0.451 145 D N -0.718 119.706 120.400 0.040 0.000 2.615 145 D HA 0.005 4.644 4.640 -0.000 0.000 0.236 145 D C 0.343 176.656 176.300 0.022 0.000 1.233 145 D CA -0.253 53.765 54.000 0.029 0.000 0.829 145 D CB 0.271 41.090 40.800 0.031 0.000 1.024 145 D HN 0.054 nan 8.370 nan 0.000 0.490 146 R N 1.739 122.251 120.500 0.020 0.000 2.664 146 R HA 0.250 4.590 4.340 -0.000 0.000 0.281 146 R C -1.916 174.394 176.300 0.016 0.000 1.383 146 R CA -1.285 54.822 56.100 0.013 0.000 1.563 146 R CB 0.966 31.270 30.300 0.007 0.000 1.131 146 R HN 0.111 nan 8.270 nan 0.000 0.599 147 P HA -0.021 nan 4.420 nan 0.000 0.237 147 P C 0.775 178.089 177.300 0.023 0.000 1.178 147 P CA 0.683 63.794 63.100 0.019 0.000 0.766 147 P CB 0.406 32.115 31.700 0.016 0.000 0.876 148 G N -0.203 108.610 108.800 0.021 0.000 3.609 148 G HA2 0.053 4.013 3.960 -0.000 0.000 0.280 148 G HA3 0.053 4.013 3.960 -0.000 0.000 0.280 148 G C 1.062 175.985 174.900 0.038 0.000 1.155 148 G CA -0.197 44.919 45.100 0.026 0.000 0.876 148 G HN 0.011 nan 8.290 nan 0.000 0.535 149 M N 0.274 119.906 119.600 0.053 0.000 2.065 149 M HA -0.025 4.455 4.480 -0.000 0.000 0.259 149 M C 2.303 178.698 176.300 0.159 0.000 1.071 149 M CA 1.578 56.934 55.300 0.092 0.000 1.109 149 M CB -0.560 32.109 32.600 0.115 0.000 1.313 149 M HN 0.315 nan 8.290 nan 0.000 0.408 150 L N -0.438 120.869 121.223 0.140 0.000 2.046 150 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 150 L C 2.471 179.444 176.870 0.172 0.000 1.077 150 L CA 1.606 56.539 54.840 0.155 0.000 0.747 150 L CB -0.744 41.358 42.059 0.071 0.000 0.896 150 L HN 0.423 nan 8.230 nan 0.000 0.432 151 E N -0.254 120.019 120.200 0.123 0.000 2.107 151 E HA -0.261 4.089 4.350 -0.000 0.000 0.191 151 E C 2.189 178.883 176.600 0.158 0.000 0.982 151 E CA 0.824 57.317 56.400 0.155 0.000 0.809 151 E CB 0.103 29.862 29.700 0.099 0.000 0.756 151 E HN 0.441 nan 8.360 nan 0.000 0.459 152 Q N -0.371 119.479 119.800 0.083 0.000 2.030 152 Q HA -0.230 4.109 4.340 -0.000 0.000 0.204 152 Q C 1.824 177.834 176.000 0.017 0.000 0.986 152 Q CA 1.730 57.531 55.803 -0.004 0.000 0.843 152 Q CB -0.259 28.425 28.738 -0.089 0.000 0.904 152 Q HN 0.423 nan 8.270 nan 0.000 0.420 153 Y N -0.570 119.766 120.300 0.060 0.000 2.151 153 Y HA -0.289 4.261 4.550 -0.000 0.000 0.284 153 Y C 2.091 178.048 175.900 0.094 0.000 1.166 153 Y CA 1.452 59.595 58.100 0.071 0.000 1.163 153 Y CB -0.227 38.277 38.460 0.073 0.000 0.974 153 Y HN 0.305 nan 8.280 nan 0.000 0.511 154 F N 1.139 121.164 119.950 0.126 0.000 2.134 154 F HA -0.241 4.286 4.527 -0.000 0.000 0.299 154 F C 1.882 177.667 175.800 -0.025 0.000 1.097 154 F CA 1.821 59.823 58.000 0.003 0.000 1.264 154 F CB -0.451 38.516 39.000 -0.055 0.000 1.001 154 F HN 0.024 nan 8.300 nan 0.000 0.479 155 D N -0.022 120.318 120.400 -0.100 0.000 2.149 155 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 155 D C 2.394 178.637 176.300 -0.095 0.000 0.972 155 D CA 1.372 55.262 54.000 -0.185 0.000 0.835 155 D CB -0.403 40.357 40.800 -0.067 0.000 0.966 155 D HN 0.334 nan 8.370 nan 0.000 0.476 156 M N 0.583 120.179 119.600 -0.007 0.000 2.080 156 M HA -0.125 4.355 4.480 -0.000 0.000 0.260 156 M C 2.262 178.710 176.300 0.247 0.000 1.068 156 M CA 1.347 56.743 55.300 0.161 0.000 1.109 156 M CB -0.352 32.339 32.600 0.152 0.000 1.342 156 M HN 0.085 nan 8.290 nan 0.000 0.405 157 I N -2.428 118.219 120.570 0.128 0.000 3.428 157 I HA -0.013 4.157 4.170 -0.000 0.000 0.286 157 I C 1.295 177.404 176.117 -0.014 0.000 1.287 157 I CA 1.147 62.508 61.300 0.101 0.000 1.396 157 I CB -0.601 37.466 38.000 0.112 0.000 1.062 157 I HN 0.237 nan 8.210 nan 0.000 0.471 158 T N -1.226 113.231 114.554 -0.162 0.000 3.085 158 T HA 0.549 4.898 4.350 -0.000 0.000 0.264 158 T C 0.881 175.539 174.700 -0.069 0.000 1.019 158 T CA 0.038 62.024 62.100 -0.190 0.000 0.910 158 T CB -0.161 68.384 68.868 -0.539 0.000 1.059 158 T HN 0.338 nan 8.240 nan 0.000 0.542 159 A N 1.836 124.667 122.820 0.019 0.000 2.567 159 A HA 0.161 4.481 4.320 -0.000 0.000 0.240 159 A C 1.203 178.842 177.584 0.091 0.000 1.053 159 A CA -0.071 52.013 52.037 0.079 0.000 0.755 159 A CB 0.006 19.128 19.000 0.202 0.000 0.978 159 A HN 0.338 nan 8.150 nan 0.000 0.507 160 D N 0.331 120.774 120.400 0.070 0.000 2.269 160 D HA 0.022 4.661 4.640 -0.000 0.000 0.208 160 D C 0.834 177.193 176.300 0.097 0.000 0.963 160 D CA 1.729 55.774 54.000 0.075 0.000 0.864 160 D CB 0.055 40.889 40.800 0.057 0.000 0.936 160 D HN 0.718 nan 8.370 nan 0.000 0.505 161 S N -1.699 114.074 115.700 0.123 0.000 2.615 161 S HA 0.208 4.678 4.470 -0.000 0.000 0.269 161 S C 0.338 175.069 174.600 0.219 0.000 1.161 161 S CA -0.850 57.445 58.200 0.159 0.000 0.817 161 S CB 0.705 63.970 63.200 0.109 0.000 1.131 161 S HN -0.121 nan 8.310 nan 0.000 0.467 162 F N 1.836 121.830 119.950 0.073 0.000 2.126 162 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 162 F C 1.702 177.488 175.800 -0.022 0.000 1.096 162 F CA 2.137 60.104 58.000 -0.054 0.000 1.255 162 F CB -0.637 38.300 39.000 -0.104 0.000 0.997 162 F HN 0.696 nan 8.300 nan 0.000 0.479 163 D N 0.319 120.654 120.400 -0.108 0.000 2.123 163 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 163 D C 1.889 178.080 176.300 -0.181 0.000 0.992 163 D CA 1.660 55.539 54.000 -0.202 0.000 0.833 163 D CB -0.510 40.249 40.800 -0.068 0.000 0.954 163 D HN 0.344 nan 8.370 nan 0.000 0.455 164 D N -0.395 119.960 120.400 -0.076 0.000 2.144 164 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 164 D C 1.937 178.190 176.300 -0.079 0.000 0.984 164 D CA 0.517 54.482 54.000 -0.058 0.000 0.834 164 D CB -0.416 40.383 40.800 -0.001 0.000 0.955 164 D HN 0.306 nan 8.370 nan 0.000 0.465 165 Y N 2.077 122.269 120.300 -0.180 0.000 2.070 165 Y HA -0.198 4.352 4.550 -0.000 0.000 0.280 165 Y C 2.119 177.840 175.900 -0.299 0.000 1.148 165 Y CA 1.782 59.765 58.100 -0.196 0.000 1.125 165 Y CB -0.223 38.112 38.460 -0.209 0.000 0.975 165 Y HN -0.071 nan 8.280 nan 0.000 0.492 166 E N -0.021 119.836 120.200 -0.573 0.000 2.118 166 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 166 E C 2.319 178.667 176.600 -0.419 0.000 0.992 166 E CA 0.957 56.992 56.400 -0.607 0.000 0.804 166 E CB -0.335 28.987 29.700 -0.630 0.000 0.741 166 E HN 0.611 nan 8.360 nan 0.000 0.458 167 A N 1.405 124.038 122.820 -0.312 0.000 1.930 167 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 167 A C 2.364 179.821 177.584 -0.211 0.000 1.175 167 A CA 1.581 53.491 52.037 -0.212 0.000 0.627 167 A CB -0.453 18.458 19.000 -0.148 0.000 0.815 167 A HN 0.289 nan 8.150 nan 0.000 0.443 168 A N -0.464 122.208 122.820 -0.247 0.000 1.873 168 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 168 A C 2.094 179.504 177.584 -0.290 0.000 1.186 168 A CA 1.637 53.537 52.037 -0.228 0.000 0.616 168 A CB -0.697 18.178 19.000 -0.208 0.000 0.823 168 A HN 0.615 nan 8.150 nan 0.000 0.442 169 L N 0.051 121.001 121.223 -0.454 0.000 2.043 169 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 169 L C 2.596 179.300 176.870 -0.278 0.000 1.075 169 L CA 2.244 56.818 54.840 -0.443 0.000 0.752 169 L CB -0.704 40.978 42.059 -0.628 0.000 0.891 169 L HN 0.360 nan 8.230 nan 0.000 0.432 170 A N -0.928 121.745 122.820 -0.245 0.000 2.172 170 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 170 A C 2.248 179.761 177.584 -0.119 0.000 1.154 170 A CA 1.128 53.068 52.037 -0.161 0.000 0.701 170 A CB -0.628 18.284 19.000 -0.147 0.000 0.789 170 A HN 0.534 nan 8.150 nan 0.000 0.465 171 R N -1.384 119.041 120.500 -0.126 0.000 2.241 171 R HA -0.054 4.286 4.340 -0.000 0.000 0.224 171 R C 0.054 176.308 176.300 -0.076 0.000 1.101 171 R CA 0.748 56.795 56.100 -0.088 0.000 0.995 171 R CB -0.329 29.920 30.300 -0.084 0.000 0.870 171 R HN 0.407 nan 8.270 nan 0.000 0.463 172 M N 0.524 120.067 119.600 -0.094 0.000 2.302 172 M HA -0.226 4.254 4.480 -0.000 0.000 0.200 172 M C -0.062 176.199 176.300 -0.064 0.000 0.366 172 M CA 0.951 56.204 55.300 -0.079 0.000 0.440 172 M CB -1.866 30.702 32.600 -0.052 0.000 1.475 172 M HN 0.219 nan 8.290 nan 0.000 0.905 173 Q N -0.921 118.836 119.800 -0.072 0.000 2.356 173 Q HA 0.310 4.650 4.340 -0.000 0.000 0.205 173 Q C 0.640 176.619 176.000 -0.034 0.000 0.901 173 Q CA 0.354 56.132 55.803 -0.042 0.000 0.938 173 Q CB 1.050 29.771 28.738 -0.028 0.000 1.081 173 Q HN 0.521 nan 8.270 nan 0.000 0.517 174 V N 4.711 124.582 119.914 -0.072 0.000 2.333 174 V HA 0.141 4.261 4.120 -0.000 0.000 0.274 174 V C -1.581 174.478 176.094 -0.059 0.000 1.028 174 V CA -1.080 61.196 62.300 -0.040 0.000 0.851 174 V CB 1.659 33.394 31.823 -0.146 0.000 1.000 174 V HN 0.043 nan 8.190 nan 0.000 0.456 175 P HA 0.086 nan 4.420 nan 0.000 0.245 175 P C 0.464 177.627 177.300 -0.228 0.000 1.212 175 P CA 0.683 63.710 63.100 -0.122 0.000 0.774 175 P CB 0.795 32.439 31.700 -0.093 0.000 0.999 176 T N -1.557 112.794 114.554 -0.338 0.000 2.653 176 T HA 0.550 4.900 4.350 -0.000 0.000 0.306 176 T C -1.812 172.596 174.700 -0.488 0.000 1.426 176 T CA -0.406 61.371 62.100 -0.539 0.000 1.008 176 T CB 0.114 68.540 68.868 -0.737 0.000 1.692 176 T HN -0.085 nan 8.240 nan 0.000 0.483 177 F N 0.220 120.068 119.950 -0.170 0.000 2.177 177 F HA -0.099 4.428 4.527 -0.000 0.000 0.381 177 F C 0.143 175.807 175.800 -0.227 0.000 1.294 177 F CA -0.871 57.049 58.000 -0.133 0.000 1.154 177 F CB -0.354 38.634 39.000 -0.020 0.000 3.826 177 F HN 0.527 nan 8.300 nan 0.000 0.380 178 N N 3.360 122.085 118.700 0.042 0.000 2.513 178 N HA 0.617 5.357 4.740 -0.000 0.000 0.268 178 N C -0.535 175.014 175.510 0.066 0.000 1.180 178 N CA 0.059 53.110 53.050 0.002 0.000 0.948 178 N CB 1.080 39.693 38.487 0.209 0.000 1.083 178 N HN 0.455 nan 8.380 nan 0.000 0.455 179 I N 1.565 122.130 120.570 -0.008 0.000 2.499 179 I HA 0.288 4.458 4.170 -0.000 0.000 0.288 179 I C -0.514 175.686 176.117 0.139 0.000 1.048 179 I CA -0.848 60.501 61.300 0.083 0.000 1.062 179 I CB 2.065 40.126 38.000 0.100 0.000 1.238 179 I HN -0.030 nan 8.210 nan 0.000 0.426 180 V N 6.325 126.364 119.914 0.209 0.000 2.628 180 V HA 0.457 4.577 4.120 -0.000 0.000 0.306 180 V C -1.186 175.051 176.094 0.239 0.000 1.045 180 V CA -0.721 61.740 62.300 0.268 0.000 0.905 180 V CB 2.161 34.168 31.823 0.307 0.000 0.997 180 V HN 0.600 nan 8.190 nan 0.000 0.436 181 Y N 3.229 123.553 120.300 0.041 0.000 2.512 181 Y HA 0.847 5.397 4.550 -0.000 0.000 0.348 181 Y C -0.355 175.462 175.900 -0.138 0.000 0.990 181 Y CA -0.414 57.609 58.100 -0.128 0.000 1.033 181 Y CB 1.994 40.238 38.460 -0.361 0.000 1.259 181 Y HN 0.818 nan 8.280 nan 0.000 0.461 182 A N 3.691 126.068 122.820 -0.740 0.000 2.606 182 A HA 0.693 5.012 4.320 -0.000 0.000 0.293 182 A C -2.022 174.803 177.584 -1.266 0.000 1.082 182 A CA -0.359 51.274 52.037 -0.674 0.000 0.685 182 A CB 1.665 20.494 19.000 -0.285 0.000 1.284 182 A HN 0.833 nan 8.150 nan 0.000 0.408 183 D N -1.213 118.642 120.400 -0.909 0.000 2.596 183 D HA 0.327 4.967 4.640 -0.000 0.000 0.262 183 D C 0.560 176.543 176.300 -0.528 0.000 1.210 183 D CA -0.497 52.947 54.000 -0.927 0.000 0.873 183 D CB 0.627 41.137 40.800 -0.482 0.000 1.408 183 D HN 0.547 nan 8.370 nan 0.000 0.441 184 R N -0.339 119.973 120.500 -0.313 0.000 2.280 184 R HA 0.031 4.371 4.340 -0.000 0.000 0.207 184 R C 0.256 176.537 176.300 -0.032 0.000 1.043 184 R CA 1.017 57.094 56.100 -0.039 0.000 1.006 184 R CB -0.313 30.029 30.300 0.070 0.000 0.885 184 R HN 0.338 nan 8.270 nan 0.000 0.467 185 E N 0.264 120.431 120.200 -0.054 0.000 2.435 185 E HA 0.110 4.460 4.350 -0.000 0.000 0.195 185 E C 0.976 177.555 176.600 -0.036 0.000 1.029 185 E CA 0.897 57.285 56.400 -0.021 0.000 0.865 185 E CB 0.657 30.361 29.700 0.007 0.000 0.833 185 E HN 0.627 nan 8.360 nan 0.000 0.510 186 G N 0.025 108.782 108.800 -0.072 0.000 2.192 186 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 186 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 186 G C 0.384 175.226 174.900 -0.096 0.000 0.999 186 G CA -0.018 45.039 45.100 -0.071 0.000 0.659 186 G HN 0.206 nan 8.290 nan 0.000 0.503 187 T N 1.725 116.202 114.554 -0.127 0.000 2.869 187 T HA 0.609 4.959 4.350 -0.000 0.000 0.295 187 T C 0.537 175.137 174.700 -0.167 0.000 0.987 187 T CA 0.595 62.571 62.100 -0.207 0.000 1.109 187 T CB 1.204 69.843 68.868 -0.382 0.000 0.932 187 T HN 0.962 nan 8.240 nan 0.000 0.518 188 I N 0.916 121.393 120.570 -0.155 0.000 2.689 188 I HA 0.737 4.907 4.170 -0.000 0.000 0.299 188 I C -0.767 175.323 176.117 -0.046 0.000 1.059 188 I CA -0.898 60.378 61.300 -0.040 0.000 1.055 188 I CB 2.353 40.360 38.000 0.011 0.000 1.243 188 I HN 0.454 nan 8.210 nan 0.000 0.425 189 N N 3.284 122.041 118.700 0.094 0.000 2.405 189 N HA 0.347 5.087 4.740 -0.000 0.000 0.274 189 N C -2.339 173.342 175.510 0.285 0.000 1.170 189 N CA -0.354 52.792 53.050 0.161 0.000 0.848 189 N CB 3.021 41.617 38.487 0.183 0.000 1.629 189 N HN 0.806 nan 8.380 nan 0.000 0.481 190 Y N 1.455 121.861 120.300 0.177 0.000 2.376 190 Y HA 0.579 5.129 4.550 -0.000 0.000 0.340 190 Y C -1.434 174.586 175.900 0.200 0.000 0.965 190 Y CA -0.275 57.938 58.100 0.188 0.000 1.078 190 Y CB 1.558 40.115 38.460 0.163 0.000 1.193 190 Y HN 0.370 nan 8.280 nan 0.000 0.452 191 S N 6.716 122.021 115.700 -0.659 0.000 2.594 191 S HA 0.326 4.796 4.470 -0.000 0.000 0.296 191 S C -1.465 172.724 174.600 -0.686 0.000 1.124 191 S CA -0.631 57.259 58.200 -0.517 0.000 1.011 191 S CB 0.883 63.995 63.200 -0.148 0.000 1.016 191 S HN 0.656 nan 8.310 nan 0.000 0.485 192 F N 4.294 123.867 119.950 -0.629 0.000 2.462 192 F HA 0.390 4.917 4.527 -0.000 0.000 0.354 192 F C 0.233 175.897 175.800 -0.227 0.000 1.192 192 F CA -0.390 57.398 58.000 -0.353 0.000 1.173 192 F CB -0.194 38.658 39.000 -0.247 0.000 1.402 192 F HN 0.600 nan 8.300 nan 0.000 0.595 193 N N 3.591 122.093 118.700 -0.331 0.000 2.492 193 N HA 0.814 5.554 4.740 -0.000 0.000 0.289 193 N C -0.278 175.064 175.510 -0.281 0.000 1.133 193 N CA 0.287 53.204 53.050 -0.222 0.000 0.961 193 N CB 1.634 40.028 38.487 -0.155 0.000 1.186 193 N HN 0.832 nan 8.380 nan 0.000 0.493 194 G N -0.400 108.294 108.800 -0.177 0.000 2.337 194 G HA2 0.177 4.137 3.960 -0.000 0.000 0.298 194 G HA3 0.177 4.137 3.960 -0.000 0.000 0.298 194 G C -1.941 172.899 174.900 -0.100 0.000 1.335 194 G CA -0.697 44.299 45.100 -0.173 0.000 0.875 194 G HN 0.484 nan 8.290 nan 0.000 0.579 195 V N 1.121 120.973 119.914 -0.103 0.000 2.294 195 V HA 0.670 4.790 4.120 -0.000 0.000 0.272 195 V C 0.589 176.615 176.094 -0.113 0.000 1.027 195 V CA 0.105 62.355 62.300 -0.082 0.000 0.823 195 V CB 0.673 32.451 31.823 -0.075 0.000 1.030 195 V HN 1.538 nan 8.190 nan 0.000 0.457 196 A N 7.813 130.589 122.820 -0.073 0.000 2.287 196 A HA 0.863 5.182 4.320 -0.000 0.000 0.317 196 A C -2.740 174.701 177.584 -0.239 0.000 1.220 196 A CA -1.896 50.086 52.037 -0.093 0.000 0.835 196 A CB 1.005 20.086 19.000 0.135 0.000 1.180 196 A HN 0.566 nan 8.150 nan 0.000 0.500 197 P HA 0.058 nan 4.420 nan 0.000 0.265 197 P C -0.536 176.364 177.300 -0.667 0.000 1.193 197 P CA 0.238 62.805 63.100 -0.888 0.000 0.765 197 P CB 0.396 30.913 31.700 -1.972 0.000 0.823 198 K N 4.231 124.312 120.400 -0.533 0.000 2.339 198 K HA 0.242 4.561 4.320 -0.000 0.000 0.286 198 K C 0.195 176.614 176.600 -0.301 0.000 1.050 198 K CA 0.053 56.083 56.287 -0.430 0.000 0.956 198 K CB 0.456 32.737 32.500 -0.364 0.000 0.990 198 K HN 0.395 nan 8.250 nan 0.000 0.475 199 R N 0.863 121.175 120.500 -0.314 0.000 2.744 199 R HA 0.332 4.672 4.340 -0.000 0.000 0.279 199 R C 0.047 176.441 176.300 0.156 0.000 0.977 199 R CA -0.521 55.463 56.100 -0.192 0.000 0.906 199 R CB 1.520 31.431 30.300 -0.649 0.000 1.197 199 R HN 0.636 nan 8.270 nan 0.000 0.463 200 A N 1.148 124.104 122.820 0.227 0.000 2.238 200 A HA 0.083 4.402 4.320 -0.000 0.000 0.210 200 A C 0.111 177.850 177.584 0.258 0.000 1.179 200 A CA 0.638 52.810 52.037 0.225 0.000 0.827 200 A CB -0.232 18.862 19.000 0.156 0.000 0.856 200 A HN 0.761 nan 8.150 nan 0.000 0.488 201 E N -2.788 117.627 120.200 0.357 0.000 2.445 201 E HA 0.527 4.877 4.350 -0.000 0.000 0.279 201 E C -0.169 176.733 176.600 0.503 0.000 1.018 201 E CA -0.815 55.777 56.400 0.321 0.000 0.816 201 E CB 0.883 30.680 29.700 0.161 0.000 1.356 201 E HN 1.239 nan 8.360 nan 0.000 0.462 202 G N 1.673 110.629 108.800 0.259 0.000 2.895 202 G HA2 0.017 3.977 3.960 -0.000 0.000 0.686 202 G HA3 0.017 3.977 3.960 -0.000 0.000 0.686 202 G C -0.772 174.451 174.900 0.539 0.000 1.108 202 G CA -0.202 45.009 45.100 0.185 0.000 0.761 202 G HN 0.936 nan 8.290 nan 0.000 0.611 203 D N 0.868 121.497 120.400 0.382 0.000 2.451 203 D HA 0.475 5.115 4.640 -0.000 0.000 0.259 203 D C 1.860 178.486 176.300 0.542 0.000 1.201 203 D CA -0.486 53.762 54.000 0.413 0.000 1.028 203 D CB 0.607 41.553 40.800 0.244 0.000 1.095 203 D HN 0.673 nan 8.370 nan 0.000 0.539 204 I N -0.268 120.558 120.570 0.427 0.000 2.226 204 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 204 I C 2.097 178.412 176.117 0.330 0.000 1.100 204 I CA 1.809 63.354 61.300 0.410 0.000 1.374 204 I CB -0.253 37.929 38.000 0.303 0.000 1.057 204 I HN 0.506 nan 8.210 nan 0.000 0.413 205 A N 0.384 123.355 122.820 0.252 0.000 1.933 205 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 205 A C 2.204 179.869 177.584 0.134 0.000 1.175 205 A CA 1.750 53.887 52.037 0.167 0.000 0.628 205 A CB -1.201 17.880 19.000 0.136 0.000 0.814 205 A HN 0.624 nan 8.150 nan 0.000 0.444 206 F N -0.906 119.055 119.950 0.018 0.000 2.134 206 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 206 F C 1.799 177.449 175.800 -0.251 0.000 1.097 206 F CA 1.690 59.591 58.000 -0.165 0.000 1.264 206 F CB -0.395 38.448 39.000 -0.261 0.000 1.001 206 F HN 0.374 nan 8.300 nan 0.000 0.479 207 W N 0.492 121.818 121.300 0.044 0.000 2.905 207 W HA 0.055 4.714 4.660 -0.000 0.000 0.251 207 W C 2.193 178.637 176.519 -0.124 0.000 1.305 207 W CA 0.397 57.690 57.345 -0.087 0.000 1.465 207 W CB -0.281 29.223 29.460 0.074 0.000 1.122 207 W HN 0.082 nan 8.180 nan 0.000 0.659 208 Q N -0.357 119.501 119.800 0.095 0.000 2.398 208 Q HA 0.103 4.443 4.340 -0.000 0.000 0.204 208 Q C 1.556 177.515 176.000 -0.069 0.000 0.932 208 Q CA 0.494 56.316 55.803 0.031 0.000 0.916 208 Q CB 0.022 28.798 28.738 0.064 0.000 1.024 208 Q HN 0.170 nan 8.270 nan 0.000 0.504 209 G N 0.027 108.728 108.800 -0.166 0.000 2.525 209 G HA2 0.422 4.382 3.960 -0.000 0.000 0.287 209 G HA3 0.422 4.382 3.960 -0.000 0.000 0.287 209 G C -0.661 174.059 174.900 -0.300 0.000 1.350 209 G CA -0.753 44.223 45.100 -0.207 0.000 1.039 209 G HN 0.090 nan 8.290 nan 0.000 0.513 210 L N 0.648 121.711 121.223 -0.267 0.000 2.433 210 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 210 L C -0.022 176.578 176.870 -0.450 0.000 1.128 210 L CA -0.376 54.294 54.840 -0.282 0.000 0.875 210 L CB 0.729 42.690 42.059 -0.164 0.000 1.171 210 L HN -0.011 nan 8.230 nan 0.000 0.463 211 V N 5.733 125.299 119.914 -0.580 0.000 2.567 211 V HA 0.266 4.386 4.120 -0.000 0.000 0.289 211 V C -1.970 173.900 176.094 -0.373 0.000 1.049 211 V CA -1.858 59.967 62.300 -0.792 0.000 0.969 211 V CB 1.412 32.660 31.823 -0.957 0.000 0.995 211 V HN 0.598 nan 8.190 nan 0.000 0.471 212 P HA 0.106 nan 4.420 nan 0.000 0.264 212 P C 0.616 178.050 177.300 0.224 0.000 1.193 212 P CA 0.293 63.364 63.100 -0.048 0.000 0.763 212 P CB 0.501 32.184 31.700 -0.028 0.000 0.810 213 G N 1.992 110.934 108.800 0.236 0.000 3.523 213 G HA2 0.035 3.995 3.960 -0.000 0.000 0.270 213 G HA3 0.035 3.995 3.960 -0.000 0.000 0.270 213 G C 0.083 175.303 174.900 0.534 0.000 1.134 213 G CA -0.203 45.069 45.100 0.287 0.000 0.825 213 G HN 0.511 nan 8.290 nan 0.000 0.534 214 D N -1.069 119.579 120.400 0.414 0.000 2.538 214 D HA 0.231 4.871 4.640 -0.000 0.000 0.231 214 D C 0.196 176.537 176.300 0.069 0.000 1.229 214 D CA -0.512 53.688 54.000 0.332 0.000 0.828 214 D CB 0.459 41.387 40.800 0.213 0.000 1.035 214 D HN -0.007 nan 8.370 nan 0.000 0.495 215 S N -0.710 115.009 115.700 0.033 0.000 2.542 215 S HA 0.323 4.793 4.470 -0.000 0.000 0.276 215 S C 0.498 174.991 174.600 -0.178 0.000 1.148 215 S CA -0.136 57.907 58.200 -0.263 0.000 0.886 215 S CB 1.190 64.373 63.200 -0.027 0.000 1.109 215 S HN 0.062 nan 8.310 nan 0.000 0.458 216 S N 3.609 119.086 115.700 -0.370 0.000 2.555 216 S HA -0.045 4.425 4.470 -0.000 0.000 0.230 216 S C 1.709 176.308 174.600 -0.001 0.000 0.978 216 S CA 0.591 58.769 58.200 -0.037 0.000 0.934 216 S CB -0.358 62.819 63.200 -0.039 0.000 0.766 216 S HN 0.745 nan 8.310 nan 0.000 0.533 217 R N 0.737 121.160 120.500 -0.128 0.000 2.103 217 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 217 R C 0.862 177.061 176.300 -0.168 0.000 1.142 217 R CA 1.824 57.765 56.100 -0.265 0.000 0.960 217 R CB -0.311 29.637 30.300 -0.586 0.000 0.858 217 R HN 0.640 nan 8.270 nan 0.000 0.439 218 Y N -0.675 119.822 120.300 0.328 0.000 2.485 218 Y HA 0.183 4.733 4.550 -0.000 0.000 0.260 218 Y C -0.068 176.195 175.900 0.604 0.000 1.173 218 Y CA -0.728 57.711 58.100 0.565 0.000 1.252 218 Y CB 0.603 39.390 38.460 0.545 0.000 1.123 218 Y HN 0.002 nan 8.280 nan 0.000 0.524 219 L N 3.627 125.105 121.223 0.426 0.000 2.358 219 L HA 0.191 4.531 4.340 -0.000 0.000 0.274 219 L C 0.279 177.227 176.870 0.131 0.000 1.136 219 L CA -1.038 53.919 54.840 0.194 0.000 0.970 219 L CB -0.427 41.718 42.059 0.144 0.000 1.314 219 L HN 0.175 nan 8.230 nan 0.000 0.427 220 W N 2.865 124.316 121.300 0.252 0.000 2.112 220 W HA 0.358 5.018 4.660 -0.000 0.000 0.349 220 W C 0.148 176.707 176.519 0.066 0.000 1.289 220 W CA 0.006 57.405 57.345 0.090 0.000 1.256 220 W CB -0.139 29.290 29.460 -0.052 0.000 1.148 220 W HN 0.616 nan 8.180 nan 0.000 0.590 221 T N -2.979 111.806 114.554 0.386 0.000 3.029 221 T HA 0.161 4.511 4.350 -0.000 0.000 0.256 221 T C 0.044 174.887 174.700 0.239 0.000 0.914 221 T CA -0.188 62.063 62.100 0.252 0.000 0.880 221 T CB 0.364 69.301 68.868 0.114 0.000 1.246 221 T HN 0.526 nan 8.240 nan 0.000 0.523 222 E N 1.841 122.148 120.200 0.177 0.000 2.299 222 E HA 0.632 4.982 4.350 -0.000 0.000 0.260 222 E C -0.797 175.768 176.600 -0.057 0.000 0.944 222 E CA -1.055 55.376 56.400 0.052 0.000 0.815 222 E CB 1.920 31.619 29.700 -0.001 0.000 1.252 222 E HN 0.389 nan 8.360 nan 0.000 0.418 223 T N -2.198 112.291 114.554 -0.109 0.000 2.906 223 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 223 T C -0.409 174.183 174.700 -0.181 0.000 1.075 223 T CA -0.952 61.034 62.100 -0.190 0.000 1.005 223 T CB 1.134 69.936 68.868 -0.109 0.000 1.136 223 T HN 0.332 nan 8.240 nan 0.000 0.498 224 H N 2.024 121.078 119.070 -0.027 0.000 2.652 224 H HA 0.373 4.928 4.556 -0.000 0.000 0.349 224 H C -1.997 173.329 175.328 -0.004 0.000 1.099 224 H CA -0.995 55.058 56.048 0.008 0.000 1.417 224 H CB 0.994 30.780 29.762 0.040 0.000 1.457 224 H HN 0.513 nan 8.280 nan 0.000 0.568 225 P HA -0.022 nan 4.420 nan 0.000 0.278 225 P C 1.083 178.418 177.300 0.059 0.000 1.266 225 P CA -0.617 62.521 63.100 0.063 0.000 0.807 225 P CB 1.262 32.989 31.700 0.045 0.000 1.094 226 L N 0.886 122.115 121.223 0.009 0.000 2.081 226 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 226 L C 1.336 178.217 176.870 0.017 0.000 1.080 226 L CA 2.105 56.940 54.840 -0.009 0.000 0.754 226 L CB -1.184 40.841 42.059 -0.058 0.000 0.893 226 L HN 0.210 nan 8.230 nan 0.000 0.433 227 D N -0.687 119.728 120.400 0.026 0.000 2.363 227 D HA -0.072 4.568 4.640 -0.000 0.000 0.226 227 D C 1.043 177.383 176.300 0.067 0.000 1.020 227 D CA 0.477 54.502 54.000 0.042 0.000 0.892 227 D CB -0.009 40.807 40.800 0.027 0.000 0.900 227 D HN 0.438 nan 8.370 nan 0.000 0.531 228 D N -0.360 120.084 120.400 0.074 0.000 2.349 228 D HA 0.088 4.728 4.640 -0.000 0.000 0.215 228 D C 0.512 176.873 176.300 0.102 0.000 1.016 228 D CA 0.175 54.214 54.000 0.066 0.000 0.870 228 D CB 0.620 41.443 40.800 0.038 0.000 0.917 228 D HN 0.208 nan 8.370 nan 0.000 0.524 229 L N 0.826 122.094 121.223 0.075 0.000 2.331 229 L HA 0.395 4.735 4.340 -0.000 0.000 0.275 229 L C -2.235 174.558 176.870 -0.128 0.000 1.022 229 L CA -2.287 52.532 54.840 -0.035 0.000 0.812 229 L CB 1.412 43.482 42.059 0.019 0.000 1.257 229 L HN -0.359 nan 8.230 nan 0.000 0.435 230 P HA 0.092 nan 4.420 nan 0.000 0.261 230 P C -1.097 176.167 177.300 -0.060 0.000 1.183 230 P CA 0.428 63.089 63.100 -0.731 0.000 0.761 230 P CB 0.361 31.410 31.700 -1.086 0.000 0.785 231 R N 1.550 122.162 120.500 0.187 0.000 2.707 231 R HA 0.726 5.066 4.340 -0.000 0.000 0.272 231 R C -1.547 175.033 176.300 0.465 0.000 1.011 231 R CA -1.063 55.215 56.100 0.297 0.000 0.893 231 R CB 2.131 32.535 30.300 0.172 0.000 1.233 231 R HN 0.112 nan 8.270 nan 0.000 0.464 232 V N 1.011 121.177 119.914 0.419 0.000 2.733 232 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 232 V C -0.798 175.425 176.094 0.216 0.000 1.084 232 V CA -0.678 61.806 62.300 0.307 0.000 0.905 232 V CB 2.370 34.340 31.823 0.244 0.000 1.010 232 V HN 0.811 nan 8.190 nan 0.000 0.424 233 T N 3.706 118.346 114.554 0.144 0.000 2.881 233 T HA 0.413 4.763 4.350 -0.000 0.000 0.290 233 T C -0.041 174.670 174.700 0.018 0.000 1.000 233 T CA -0.538 61.607 62.100 0.076 0.000 0.978 233 T CB 0.993 69.931 68.868 0.117 0.000 0.997 233 T HN 0.720 nan 8.240 nan 0.000 0.443 234 N N 2.489 121.171 118.700 -0.029 0.000 2.686 234 N HA -0.111 4.629 4.740 -0.000 0.000 0.261 234 N C -2.380 173.114 175.510 -0.027 0.000 1.001 234 N CA 0.365 53.393 53.050 -0.037 0.000 0.764 234 N CB -0.828 37.632 38.487 -0.045 0.000 0.898 234 N HN 0.481 nan 8.380 nan 0.000 0.544 235 P HA 0.233 nan 4.420 nan 0.000 0.276 235 P C -1.601 175.661 177.300 -0.063 0.000 1.252 235 P CA -1.140 61.922 63.100 -0.063 0.000 0.802 235 P CB 0.599 32.227 31.700 -0.120 0.000 1.035 236 P HA -0.113 nan 4.420 nan 0.000 0.216 236 P C 1.589 178.870 177.300 -0.032 0.000 1.150 236 P CA 1.752 64.823 63.100 -0.049 0.000 0.837 236 P CB -0.461 31.202 31.700 -0.063 0.000 0.786 237 G N -1.273 107.498 108.800 -0.048 0.000 2.559 237 G HA2 0.105 4.065 3.960 -0.000 0.000 0.216 237 G HA3 0.105 4.065 3.960 -0.000 0.000 0.216 237 G C 1.133 176.110 174.900 0.129 0.000 1.126 237 G CA 0.553 45.679 45.100 0.043 0.000 0.778 237 G HN 0.475 nan 8.290 nan 0.000 0.543 238 G N -1.131 107.692 108.800 0.038 0.000 2.147 238 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.244 238 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.244 238 G C 0.102 175.111 174.900 0.182 0.000 1.005 238 G CA 0.469 45.617 45.100 0.080 0.000 0.713 238 G HN 1.603 nan 8.290 nan 0.000 0.515 239 F N -2.234 117.716 119.950 -0.000 0.000 2.719 239 F HA 0.750 5.277 4.527 -0.000 0.000 0.309 239 F C -0.612 175.219 175.800 0.051 0.000 1.138 239 F CA -1.098 56.909 58.000 0.012 0.000 0.943 239 F CB 0.963 39.941 39.000 -0.036 0.000 1.304 239 F HN 0.794 nan 8.300 nan 0.000 0.445 240 V N 0.580 120.569 119.914 0.125 0.000 3.040 240 V HA 0.989 5.109 4.120 -0.000 0.000 0.312 240 V C -1.393 174.947 176.094 0.410 0.000 1.115 240 V CA -0.651 61.683 62.300 0.056 0.000 0.998 240 V CB 1.512 33.406 31.823 0.118 0.000 1.042 240 V HN 1.464 nan 8.190 nan 0.000 0.433 241 Q N 1.228 121.206 119.800 0.295 0.000 2.522 241 Q HA 0.609 4.949 4.340 -0.000 0.000 0.285 241 Q C -1.647 174.459 176.000 0.177 0.000 0.982 241 Q CA -0.551 55.508 55.803 0.426 0.000 0.805 241 Q CB 1.786 30.917 28.738 0.655 0.000 1.457 241 Q HN 0.988 nan 8.270 nan 0.000 0.394 242 N N 0.473 119.311 118.700 0.230 0.000 2.452 242 N HA 0.367 5.107 4.740 -0.000 0.000 0.277 242 N C -1.442 174.155 175.510 0.144 0.000 1.078 242 N CA -0.358 52.778 53.050 0.143 0.000 0.947 242 N CB 2.102 40.711 38.487 0.204 0.000 1.655 242 N HN 0.604 nan 8.380 nan 0.000 0.490 243 S N 2.294 118.061 115.700 0.111 0.000 2.558 243 S HA 0.242 4.712 4.470 -0.000 0.000 0.238 243 S C 0.143 174.789 174.600 0.077 0.000 1.183 243 S CA -0.414 57.835 58.200 0.081 0.000 1.185 243 S CB -0.536 62.737 63.200 0.121 0.000 1.003 243 S HN 0.821 nan 8.310 nan 0.000 0.478 244 N N 1.655 120.407 118.700 0.087 0.000 2.863 244 N HA -0.161 4.579 4.740 -0.000 0.000 0.245 244 N C -0.652 174.893 175.510 0.058 0.000 1.001 244 N CA 1.284 54.389 53.050 0.091 0.000 0.901 244 N CB -1.046 37.502 38.487 0.102 0.000 1.124 244 N HN 0.619 nan 8.380 nan 0.000 0.582 245 D N 0.342 120.743 120.400 0.002 0.000 2.382 245 D HA 0.223 4.862 4.640 -0.000 0.000 0.240 245 D C -2.283 173.948 176.300 -0.115 0.000 1.146 245 D CA -1.224 52.713 54.000 -0.105 0.000 0.897 245 D CB -0.016 40.566 40.800 -0.363 0.000 1.197 245 D HN -0.023 nan 8.370 nan 0.000 0.432 246 P HA 0.041 nan 4.420 nan 0.000 0.267 246 P C -1.877 175.119 177.300 -0.505 0.000 1.201 246 P CA -0.754 62.220 63.100 -0.210 0.000 0.775 246 P CB -0.262 31.452 31.700 0.022 0.000 0.854 247 P HA 0.001 nan 4.420 nan 0.000 0.259 247 P C -0.036 177.012 177.300 -0.420 0.000 1.480 247 P CA 0.559 63.299 63.100 -0.600 0.000 0.842 247 P CB -0.547 30.792 31.700 -0.602 0.000 1.513 248 W N 0.229 121.642 121.300 0.188 0.000 3.197 248 W HA 0.108 4.768 4.660 -0.000 0.000 0.274 248 W C 0.665 177.314 176.519 0.216 0.000 1.297 248 W CA 0.132 57.645 57.345 0.281 0.000 1.662 248 W CB -0.010 29.680 29.460 0.382 0.000 1.106 248 W HN 0.035 nan 8.180 nan 0.000 0.663 249 T N -2.980 111.740 114.554 0.275 0.000 3.585 249 T HA 0.197 4.547 4.350 -0.000 0.000 0.252 249 T C -1.739 172.988 174.700 0.044 0.000 1.382 249 T CA -1.548 60.693 62.100 0.236 0.000 1.584 249 T CB 0.797 69.887 68.868 0.369 0.000 0.892 249 T HN -0.213 nan 8.240 nan 0.000 0.671 250 P HA 0.153 nan 4.420 nan 0.000 0.236 250 P C 0.485 177.641 177.300 -0.240 0.000 1.177 250 P CA 0.643 63.556 63.100 -0.311 0.000 0.773 250 P CB 0.428 31.751 31.700 -0.629 0.000 0.878 251 T N -2.190 112.239 114.554 -0.208 0.000 2.711 251 T HA 0.458 4.808 4.350 -0.000 0.000 0.302 251 T C -2.693 172.002 174.700 -0.008 0.000 1.373 251 T CA -0.679 61.130 62.100 -0.485 0.000 1.000 251 T CB 1.125 69.642 68.868 -0.585 0.000 1.483 251 T HN -0.013 nan 8.240 nan 0.000 0.499 252 W N 3.938 125.068 121.300 -0.285 0.000 3.216 252 W HA 0.416 5.076 4.660 -0.000 0.000 0.335 252 W C -2.804 173.719 176.519 0.007 0.000 1.077 252 W CA -1.714 55.630 57.345 -0.000 0.000 1.252 252 W CB 1.736 31.316 29.460 0.201 0.000 1.312 252 W HN 0.627 nan 8.180 nan 0.000 0.446 253 P HA 0.094 nan 4.420 nan 0.000 0.272 253 P C 0.163 177.257 177.300 -0.344 0.000 1.230 253 P CA 0.089 62.785 63.100 -0.675 0.000 0.788 253 P CB 1.228 32.615 31.700 -0.521 0.000 0.949 254 V N -0.992 118.727 119.914 -0.324 0.000 3.319 254 V HA 0.297 4.417 4.120 -0.000 0.000 0.303 254 V C 1.190 177.163 176.094 -0.202 0.000 1.094 254 V CA 0.825 63.006 62.300 -0.198 0.000 1.106 254 V CB -0.136 31.628 31.823 -0.097 0.000 1.099 254 V HN 0.816 nan 8.190 nan 0.000 0.476 255 T N -1.925 112.483 114.554 -0.242 0.000 3.043 255 T HA 0.402 4.751 4.350 -0.000 0.000 0.272 255 T C 0.015 174.744 174.700 0.048 0.000 0.990 255 T CA 0.515 62.552 62.100 -0.104 0.000 0.897 255 T CB -0.362 68.476 68.868 -0.050 0.000 1.111 255 T HN 1.303 nan 8.240 nan 0.000 0.529 256 Y N -0.268 120.121 120.300 0.149 0.000 2.764 256 Y HA 0.773 5.323 4.550 -0.000 0.000 0.331 256 Y C -0.760 175.268 175.900 0.213 0.000 1.280 256 Y CA -1.290 56.925 58.100 0.192 0.000 1.065 256 Y CB 0.707 39.376 38.460 0.348 0.000 1.319 256 Y HN 0.159 nan 8.280 nan 0.000 0.453 257 T N -3.522 111.326 114.554 0.491 0.000 2.865 257 T HA 0.479 4.828 4.350 -0.000 0.000 0.294 257 T C -2.691 172.046 174.700 0.061 0.000 1.119 257 T CA -2.331 59.920 62.100 0.252 0.000 1.007 257 T CB 2.096 70.999 68.868 0.057 0.000 1.225 257 T HN 0.337 nan 8.240 nan 0.000 0.515 258 P HA -0.062 nan 4.420 nan 0.000 0.216 258 P C 1.171 178.298 177.300 -0.287 0.000 1.150 258 P CA 1.206 63.769 63.100 -0.894 0.000 0.843 258 P CB -0.002 31.091 31.700 -1.012 0.000 0.787 259 K N -0.628 119.665 120.400 -0.179 0.000 2.211 259 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 259 K C 1.300 177.820 176.600 -0.133 0.000 1.047 259 K CA 1.246 57.462 56.287 -0.118 0.000 0.935 259 K CB -0.485 31.960 32.500 -0.091 0.000 0.728 259 K HN 0.177 nan 8.250 nan 0.000 0.452 260 D N -0.526 119.777 120.400 -0.162 0.000 2.378 260 D HA -0.020 4.620 4.640 -0.000 0.000 0.227 260 D C -0.254 175.554 176.300 -0.820 0.000 1.012 260 D CA 0.911 54.654 54.000 -0.428 0.000 0.905 260 D CB 0.117 40.630 40.800 -0.478 0.000 0.895 260 D HN 0.038 nan 8.370 nan 0.000 0.532 261 F N -0.513 119.366 119.950 -0.117 0.000 2.626 261 F HA 0.344 4.870 4.527 -0.000 0.000 0.311 261 F C -2.078 173.604 175.800 -0.196 0.000 1.088 261 F CA -2.534 55.374 58.000 -0.153 0.000 0.949 261 F CB 1.234 40.169 39.000 -0.108 0.000 1.322 261 F HN -0.377 nan 8.300 nan 0.000 0.461 262 P HA 0.084 nan 4.420 nan 0.000 0.268 262 P C 0.357 177.432 177.300 -0.376 0.000 1.205 262 P CA -0.092 62.790 63.100 -0.364 0.000 0.771 262 P CB 0.808 32.042 31.700 -0.778 0.000 0.858 263 S N 1.093 116.659 115.700 -0.224 0.000 2.607 263 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 263 S C 1.091 175.747 174.600 0.093 0.000 0.969 263 S CA 0.276 58.466 58.200 -0.017 0.000 0.927 263 S CB -1.142 62.097 63.200 0.066 0.000 0.772 263 S HN 0.561 nan 8.310 nan 0.000 0.533 264 Y N -0.633 119.781 120.300 0.190 0.000 2.458 264 Y HA 0.533 5.083 4.550 -0.000 0.000 0.256 264 Y C 1.412 177.392 175.900 0.133 0.000 1.159 264 Y CA -1.124 57.097 58.100 0.203 0.000 1.261 264 Y CB -0.526 38.044 38.460 0.183 0.000 1.119 264 Y HN 0.134 nan 8.280 nan 0.000 0.524 265 L N 0.637 121.920 121.223 0.100 0.000 2.072 265 L HA 0.262 4.602 4.340 -0.000 0.000 0.205 265 L C 0.988 177.939 176.870 0.134 0.000 1.079 265 L CA 0.903 55.812 54.840 0.116 0.000 0.752 265 L CB -0.242 41.742 42.059 -0.124 0.000 0.906 265 L HN 0.368 nan 8.230 nan 0.000 0.436 266 A N -1.322 121.550 122.820 0.087 0.000 2.594 266 A HA 0.670 4.990 4.320 -0.000 0.000 0.295 266 A C -2.636 175.113 177.584 0.276 0.000 1.071 266 A CA -1.093 51.012 52.037 0.113 0.000 0.685 266 A CB 1.044 19.872 19.000 -0.287 0.000 1.285 266 A HN -0.179 nan 8.150 nan 0.000 0.405 267 P HA 0.367 nan 4.420 nan 0.000 0.274 267 P C -0.715 176.854 177.300 0.448 0.000 1.246 267 P CA -0.051 63.222 63.100 0.288 0.000 0.795 267 P CB 0.426 32.249 31.700 0.204 0.000 1.006 268 Q N -0.452 119.551 119.800 0.339 0.000 2.324 268 Q HA 0.187 4.527 4.340 -0.000 0.000 0.373 268 Q C -0.266 175.864 176.000 0.217 0.000 0.909 268 Q CA -0.242 55.764 55.803 0.339 0.000 1.135 268 Q CB 0.137 28.984 28.738 0.181 0.000 1.313 268 Q HN 0.514 nan 8.270 nan 0.000 0.417 269 T N -2.466 112.174 114.554 0.144 0.000 2.902 269 T HA 0.475 4.825 4.350 -0.000 0.000 0.280 269 T C -2.467 171.998 174.700 -0.392 0.000 0.992 269 T CA -2.168 59.917 62.100 -0.025 0.000 1.015 269 T CB 1.010 69.885 68.868 0.012 0.000 1.044 269 T HN -0.091 nan 8.240 nan 0.000 0.520 270 P HA 0.139 nan 4.420 nan 0.000 0.265 270 P C -0.389 176.339 177.300 -0.953 0.000 1.193 270 P CA -0.076 62.166 63.100 -1.430 0.000 0.765 270 P CB 0.000 31.283 31.700 -0.695 0.000 0.823 271 H N -0.055 118.325 119.070 -1.150 0.000 2.683 271 H HA 0.212 4.767 4.556 -0.000 0.000 0.339 271 H C 0.971 176.176 175.328 -0.206 0.000 1.081 271 H CA -0.753 55.074 56.048 -0.369 0.000 1.432 271 H CB 0.590 30.319 29.762 -0.055 0.000 1.462 271 H HN 0.441 nan 8.280 nan 0.000 0.557 272 S N 2.744 118.488 115.700 0.073 0.000 2.569 272 S HA -0.037 4.433 4.470 -0.000 0.000 0.274 272 S C 1.352 176.041 174.600 0.148 0.000 1.353 272 S CA -0.616 57.644 58.200 0.100 0.000 1.023 272 S CB 0.569 63.839 63.200 0.118 0.000 0.876 272 S HN 0.609 nan 8.310 nan 0.000 0.540 273 L N 1.035 122.360 121.223 0.170 0.000 2.141 273 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 273 L C 2.965 179.957 176.870 0.202 0.000 1.094 273 L CA 1.598 56.552 54.840 0.191 0.000 0.763 273 L CB -0.594 41.596 42.059 0.218 0.000 0.908 273 L HN 0.832 nan 8.230 nan 0.000 0.437 274 R N 0.800 121.424 120.500 0.206 0.000 2.081 274 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 274 R C 2.331 178.794 176.300 0.271 0.000 1.131 274 R CA 1.531 57.773 56.100 0.236 0.000 0.960 274 R CB -0.242 30.158 30.300 0.167 0.000 0.856 274 R HN 0.304 nan 8.270 nan 0.000 0.436 275 A N 0.745 123.691 122.820 0.210 0.000 1.930 275 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 275 A C 2.057 179.765 177.584 0.206 0.000 1.175 275 A CA 1.350 53.507 52.037 0.200 0.000 0.627 275 A CB -0.403 18.671 19.000 0.122 0.000 0.815 275 A HN 0.534 nan 8.150 nan 0.000 0.443 276 Q N -0.814 119.107 119.800 0.201 0.000 2.084 276 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 276 Q C 2.267 178.329 176.000 0.103 0.000 0.978 276 Q CA 1.418 57.316 55.803 0.159 0.000 0.844 276 Q CB -0.216 28.624 28.738 0.169 0.000 0.898 276 Q HN 0.619 nan 8.270 nan 0.000 0.426 277 Q N 0.071 119.956 119.800 0.141 0.000 2.124 277 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 277 Q C 2.236 178.281 176.000 0.075 0.000 0.977 277 Q CA 1.234 57.097 55.803 0.100 0.000 0.850 277 Q CB -0.353 28.485 28.738 0.167 0.000 0.901 277 Q HN 0.261 nan 8.270 nan 0.000 0.429 278 S N 0.060 115.904 115.700 0.241 0.000 2.365 278 S HA -0.140 4.329 4.470 -0.000 0.000 0.225 278 S C 2.075 176.761 174.600 0.143 0.000 1.039 278 S CA 1.532 59.945 58.200 0.355 0.000 1.033 278 S CB -0.149 63.413 63.200 0.603 0.000 0.887 278 S HN 0.199 nan 8.310 nan 0.000 0.447 279 V N 2.054 122.027 119.914 0.098 0.000 2.295 279 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 279 V C 2.724 178.699 176.094 -0.198 0.000 1.049 279 V CA 2.091 64.391 62.300 0.001 0.000 1.024 279 V CB -0.734 31.091 31.823 0.003 0.000 0.648 279 V HN 0.442 nan 8.190 nan 0.000 0.447 280 R N -0.435 119.960 120.500 -0.175 0.000 2.081 280 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 280 R C 2.289 178.425 176.300 -0.274 0.000 1.131 280 R CA 1.334 57.310 56.100 -0.206 0.000 0.960 280 R CB -0.414 29.802 30.300 -0.140 0.000 0.856 280 R HN 0.419 nan 8.270 nan 0.000 0.436 281 L N -0.109 120.925 121.223 -0.314 0.000 2.093 281 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 281 L C 2.517 179.010 176.870 -0.628 0.000 1.085 281 L CA 0.939 55.528 54.840 -0.417 0.000 0.755 281 L CB -0.255 41.556 42.059 -0.414 0.000 0.904 281 L HN 0.193 nan 8.230 nan 0.000 0.435 282 M N -0.477 118.604 119.600 -0.864 0.000 2.134 282 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 282 M C 2.751 178.550 176.300 -0.834 0.000 1.076 282 M CA 1.961 56.591 55.300 -1.118 0.000 1.143 282 M CB -1.133 30.368 32.600 -1.832 0.000 1.346 282 M HN 0.368 nan 8.290 nan 0.000 0.421 283 S N 0.214 115.503 115.700 -0.685 0.000 2.382 283 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 283 S C 1.582 176.108 174.600 -0.123 0.000 1.027 283 S CA 1.242 59.316 58.200 -0.209 0.000 0.991 283 S CB -0.634 62.610 63.200 0.073 0.000 0.823 283 S HN 0.563 nan 8.310 nan 0.000 0.469 284 E N 1.340 121.434 120.200 -0.177 0.000 2.481 284 E HA 0.166 4.515 4.350 -0.000 0.000 0.195 284 E C -0.203 176.319 176.600 -0.130 0.000 1.047 284 E CA -0.003 56.325 56.400 -0.120 0.000 0.867 284 E CB 0.044 29.670 29.700 -0.122 0.000 0.858 284 E HN 0.519 nan 8.360 nan 0.000 0.513 285 N N 1.259 119.849 118.700 -0.183 0.000 2.362 285 N HA 0.201 4.941 4.740 -0.000 0.000 0.298 285 N C -1.135 174.293 175.510 -0.135 0.000 1.048 285 N CA -0.306 52.648 53.050 -0.161 0.000 0.858 285 N CB 1.959 40.325 38.487 -0.201 0.000 1.218 285 N HN -0.063 nan 8.380 nan 0.000 0.488 286 D N -0.635 119.708 120.400 -0.095 0.000 2.493 286 D HA 0.260 4.899 4.640 -0.000 0.000 0.239 286 D C -0.575 175.684 176.300 -0.068 0.000 1.049 286 D CA -0.136 53.821 54.000 -0.071 0.000 1.008 286 D CB 1.180 41.950 40.800 -0.049 0.000 1.398 286 D HN 0.395 nan 8.370 nan 0.000 0.513 287 D N 0.608 120.973 120.400 -0.058 0.000 2.772 287 D HA -0.174 4.466 4.640 -0.000 0.000 0.233 287 D C -0.491 175.772 176.300 -0.063 0.000 1.143 287 D CA 0.379 54.346 54.000 -0.055 0.000 0.700 287 D CB -0.506 40.266 40.800 -0.047 0.000 1.076 287 D HN 0.358 nan 8.370 nan 0.000 0.430 288 L N 0.984 122.162 121.223 -0.075 0.000 2.499 288 L HA 0.071 4.411 4.340 -0.000 0.000 0.273 288 L C 1.643 178.467 176.870 -0.076 0.000 1.195 288 L CA 0.488 55.283 54.840 -0.075 0.000 0.882 288 L CB 0.673 42.679 42.059 -0.089 0.000 1.133 288 L HN 0.087 nan 8.230 nan 0.000 0.483 289 T N -0.193 114.326 114.554 -0.057 0.000 2.912 289 T HA 0.260 4.610 4.350 -0.000 0.000 0.280 289 T C 0.810 175.486 174.700 -0.041 0.000 0.989 289 T CA -0.922 61.143 62.100 -0.058 0.000 0.995 289 T CB 1.636 70.475 68.868 -0.048 0.000 1.077 289 T HN 0.431 nan 8.240 nan 0.000 0.531 290 L N 0.672 121.862 121.223 -0.055 0.000 2.046 290 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 290 L C 2.423 179.294 176.870 0.002 0.000 1.077 290 L CA 1.908 56.736 54.840 -0.021 0.000 0.747 290 L CB -1.185 40.851 42.059 -0.037 0.000 0.896 290 L HN 0.818 nan 8.230 nan 0.000 0.432 291 E N -0.535 119.628 120.200 -0.061 0.000 2.070 291 E HA -0.272 4.078 4.350 -0.000 0.000 0.197 291 E C 2.327 178.885 176.600 -0.070 0.000 1.004 291 E CA 1.566 57.905 56.400 -0.103 0.000 0.805 291 E CB -0.263 29.379 29.700 -0.097 0.000 0.744 291 E HN 0.285 nan 8.360 nan 0.000 0.451 292 R N -0.126 120.354 120.500 -0.033 0.000 2.092 292 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 292 R C 1.950 178.256 176.300 0.011 0.000 1.119 292 R CA 1.043 57.125 56.100 -0.030 0.000 0.970 292 R CB -0.854 29.425 30.300 -0.036 0.000 0.864 292 R HN 0.224 nan 8.270 nan 0.000 0.440 293 F N 0.489 120.369 119.950 -0.117 0.000 2.095 293 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 293 F C 1.942 177.729 175.800 -0.023 0.000 1.104 293 F CA 2.039 59.993 58.000 -0.076 0.000 1.232 293 F CB -0.291 38.669 39.000 -0.066 0.000 0.987 293 F HN 0.025 nan 8.300 nan 0.000 0.475 294 M N -0.339 119.230 119.600 -0.051 0.000 2.117 294 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 294 M C 2.453 178.630 176.300 -0.205 0.000 1.065 294 M CA 1.731 56.880 55.300 -0.251 0.000 1.114 294 M CB -0.783 31.603 32.600 -0.356 0.000 1.361 294 M HN 0.253 nan 8.290 nan 0.000 0.408 295 A N 0.502 123.240 122.820 -0.137 0.000 1.908 295 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 295 A C 2.105 179.631 177.584 -0.096 0.000 1.181 295 A CA 1.507 53.481 52.037 -0.105 0.000 0.627 295 A CB -0.987 17.961 19.000 -0.088 0.000 0.818 295 A HN 0.466 nan 8.150 nan 0.000 0.445 296 L N -0.915 120.252 121.223 -0.093 0.000 2.093 296 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 296 L C 2.850 179.725 176.870 0.008 0.000 1.085 296 L CA 1.322 56.118 54.840 -0.072 0.000 0.755 296 L CB -0.473 41.501 42.059 -0.142 0.000 0.904 296 L HN 0.480 nan 8.230 nan 0.000 0.435 297 Q N 0.818 120.614 119.800 -0.007 0.000 2.197 297 Q HA -0.205 4.134 4.340 -0.000 0.000 0.207 297 Q C 2.057 178.111 176.000 0.090 0.000 0.984 297 Q CA 1.533 57.318 55.803 -0.029 0.000 0.869 297 Q CB -0.154 28.462 28.738 -0.204 0.000 0.906 297 Q HN 0.552 nan 8.270 nan 0.000 0.426 298 L N 0.966 122.197 121.223 0.013 0.000 2.610 298 L HA 0.026 4.366 4.340 -0.000 0.000 0.232 298 L C 0.811 177.647 176.870 -0.057 0.000 1.149 298 L CA -0.314 54.535 54.840 0.016 0.000 0.872 298 L CB -0.117 41.928 42.059 -0.023 0.000 0.992 298 L HN -0.115 nan 8.230 nan 0.000 0.447 299 S N 0.596 116.299 115.700 0.004 0.000 2.563 299 S HA -0.058 4.411 4.470 -0.000 0.000 0.294 299 S C 0.636 175.326 174.600 0.151 0.000 1.279 299 S CA 0.033 58.229 58.200 -0.008 0.000 1.069 299 S CB -0.240 62.979 63.200 0.032 0.000 0.828 299 S HN 0.520 nan 8.310 nan 0.000 0.497 300 H N 0.559 119.729 119.070 0.167 0.000 2.779 300 H HA 0.470 5.026 4.556 -0.000 0.000 0.230 300 H C -0.139 175.327 175.328 0.229 0.000 1.365 300 H CA -0.915 55.283 56.048 0.251 0.000 1.086 300 H CB 0.198 30.127 29.762 0.277 0.000 2.038 300 H HN 0.335 nan 8.280 nan 0.000 0.558 301 R N 1.679 122.356 120.500 0.295 0.000 2.340 301 R HA 0.416 4.755 4.340 -0.000 0.000 0.300 301 R C -0.024 176.273 176.300 -0.005 0.000 1.069 301 R CA -0.101 56.024 56.100 0.041 0.000 0.984 301 R CB 0.739 31.044 30.300 0.008 0.000 1.003 301 R HN 0.504 nan 8.270 nan 0.000 0.459 302 A N 5.102 127.658 122.820 -0.441 0.000 3.030 302 A HA 0.129 4.449 4.320 -0.000 0.000 0.273 302 A C 0.971 178.424 177.584 -0.218 0.000 1.841 302 A CA -0.394 51.394 52.037 -0.415 0.000 1.479 302 A CB -0.486 17.907 19.000 -1.013 0.000 1.048 302 A HN 0.729 nan 8.150 nan 0.000 0.612 303 V N 2.134 122.061 119.914 0.022 0.000 2.490 303 V HA -0.299 3.821 4.120 -0.000 0.000 0.250 303 V C 2.413 178.585 176.094 0.130 0.000 1.061 303 V CA 2.345 64.678 62.300 0.056 0.000 1.064 303 V CB -0.742 31.157 31.823 0.126 0.000 0.670 303 V HN 0.945 nan 8.190 nan 0.000 0.461 304 M N -0.213 119.546 119.600 0.265 0.000 2.296 304 M HA -0.105 4.375 4.480 -0.000 0.000 0.265 304 M C 2.104 178.650 176.300 0.410 0.000 1.064 304 M CA 1.684 57.255 55.300 0.452 0.000 1.109 304 M CB -0.201 32.793 32.600 0.657 0.000 1.396 304 M HN 0.389 nan 8.290 nan 0.000 0.430 305 A N 0.262 123.092 122.820 0.017 0.000 1.930 305 A HA -0.181 4.138 4.320 -0.000 0.000 0.217 305 A C 1.628 179.131 177.584 -0.136 0.000 1.175 305 A CA 1.832 53.681 52.037 -0.313 0.000 0.627 305 A CB -0.734 17.675 19.000 -0.986 0.000 0.815 305 A HN 0.498 nan 8.150 nan 0.000 0.443 306 D N -0.407 119.928 120.400 -0.109 0.000 2.182 306 D HA -0.123 4.516 4.640 -0.000 0.000 0.201 306 D C 1.850 178.222 176.300 0.121 0.000 0.986 306 D CA 0.879 54.867 54.000 -0.020 0.000 0.847 306 D CB -0.165 40.625 40.800 -0.016 0.000 0.942 306 D HN 0.282 nan 8.370 nan 0.000 0.467 307 R N -0.106 120.502 120.500 0.180 0.000 2.246 307 R HA 0.049 4.389 4.340 -0.000 0.000 0.199 307 R C 1.909 178.203 176.300 -0.011 0.000 0.984 307 R CA 0.786 57.007 56.100 0.202 0.000 1.015 307 R CB -0.096 30.417 30.300 0.355 0.000 0.930 307 R HN 0.341 nan 8.270 nan 0.000 0.475 308 T N -3.324 111.264 114.554 0.057 0.000 2.989 308 T HA 0.224 4.574 4.350 -0.000 0.000 0.250 308 T C 1.973 176.591 174.700 -0.137 0.000 0.981 308 T CA -0.317 61.752 62.100 -0.052 0.000 0.980 308 T CB -0.155 68.720 68.868 0.013 0.000 1.133 308 T HN -0.060 nan 8.240 nan 0.000 0.489 309 L N 1.296 122.464 121.223 -0.092 0.000 2.083 309 L HA 0.056 4.396 4.340 -0.000 0.000 0.209 309 L C -0.586 176.227 176.870 -0.095 0.000 1.083 309 L CA 1.414 56.178 54.840 -0.128 0.000 0.752 309 L CB -1.650 40.346 42.059 -0.106 0.000 0.899 309 L HN 0.234 nan 8.230 nan 0.000 0.433 310 P HA -0.169 nan 4.420 nan 0.000 0.216 310 P C 0.834 178.123 177.300 -0.017 0.000 1.153 310 P CA 1.472 64.570 63.100 -0.002 0.000 0.858 310 P CB 0.041 31.792 31.700 0.085 0.000 0.789 311 D N -1.762 118.609 120.400 -0.048 0.000 2.240 311 D HA -0.027 4.613 4.640 -0.000 0.000 0.206 311 D C 1.794 178.047 176.300 -0.080 0.000 0.963 311 D CA 0.492 54.466 54.000 -0.044 0.000 0.863 311 D CB -0.686 40.090 40.800 -0.040 0.000 0.973 311 D HN 0.052 nan 8.370 nan 0.000 0.501 312 L N 0.689 121.818 121.223 -0.156 0.000 2.072 312 L HA -0.065 4.275 4.340 -0.000 0.000 0.205 312 L C 1.851 178.616 176.870 -0.175 0.000 1.079 312 L CA 1.124 55.828 54.840 -0.227 0.000 0.752 312 L CB -0.293 41.471 42.059 -0.492 0.000 0.906 312 L HN -0.121 nan 8.230 nan 0.000 0.436 313 I N 1.014 121.495 120.570 -0.148 0.000 2.099 313 I HA -0.160 4.010 4.170 -0.000 0.000 0.239 313 I C -0.154 175.922 176.117 -0.068 0.000 1.066 313 I CA 1.660 62.896 61.300 -0.106 0.000 1.324 313 I CB -2.912 35.040 38.000 -0.080 0.000 1.037 313 I HN 0.251 nan 8.210 nan 0.000 0.401 314 P HA -0.140 nan 4.420 nan 0.000 0.215 314 P C 1.596 178.880 177.300 -0.026 0.000 1.153 314 P CA 2.148 65.231 63.100 -0.029 0.000 0.853 314 P CB -0.044 31.646 31.700 -0.017 0.000 0.788 315 A N 0.573 123.375 122.820 -0.030 0.000 1.940 315 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 315 A C 2.481 180.050 177.584 -0.025 0.000 1.176 315 A CA 2.349 54.374 52.037 -0.020 0.000 0.631 315 A CB -1.510 17.480 19.000 -0.016 0.000 0.814 315 A HN 0.255 nan 8.150 nan 0.000 0.446 316 A N -0.672 122.119 122.820 -0.048 0.000 1.968 316 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 316 A C 2.012 179.578 177.584 -0.030 0.000 1.169 316 A CA 1.116 53.126 52.037 -0.046 0.000 0.638 316 A CB -0.447 18.504 19.000 -0.082 0.000 0.812 316 A HN 0.449 nan 8.150 nan 0.000 0.446 317 L N -0.502 120.703 121.223 -0.030 0.000 2.376 317 L HA 0.004 4.344 4.340 -0.000 0.000 0.219 317 L C 2.044 178.907 176.870 -0.012 0.000 1.133 317 L CA 0.429 55.256 54.840 -0.021 0.000 0.816 317 L CB -0.255 41.791 42.059 -0.021 0.000 0.933 317 L HN 0.366 nan 8.230 nan 0.000 0.449 318 I N -0.516 120.049 120.570 -0.010 0.000 2.761 318 I HA -0.153 4.017 4.170 -0.000 0.000 0.261 318 I C 0.702 176.819 176.117 -0.000 0.000 1.198 318 I CA 0.383 61.681 61.300 -0.003 0.000 1.482 318 I CB -0.007 37.993 38.000 0.000 0.000 1.100 318 I HN 0.219 nan 8.210 nan 0.000 0.445 319 D N 1.171 121.570 120.400 -0.002 0.000 2.389 319 D HA 0.014 4.654 4.640 -0.000 0.000 0.247 319 D C -1.378 174.923 176.300 0.002 0.000 1.128 319 D CA -1.354 52.647 54.000 0.003 0.000 0.884 319 D CB 1.108 41.910 40.800 0.003 0.000 1.194 319 D HN -0.026 nan 8.370 nan 0.000 0.441 320 P HA -0.071 nan 4.420 nan 0.000 0.223 320 P C -0.076 177.226 177.300 0.003 0.000 1.151 320 P CA 0.373 63.476 63.100 0.004 0.000 0.787 320 P CB 0.129 31.832 31.700 0.005 0.000 0.788 321 D N 1.064 121.467 120.400 0.005 0.000 2.382 321 D HA 0.033 4.673 4.640 -0.000 0.000 0.259 321 D C -1.482 174.819 176.300 0.002 0.000 1.224 321 D CA -2.006 51.997 54.000 0.005 0.000 0.894 321 D CB 0.991 41.795 40.800 0.008 0.000 1.127 321 D HN 0.002 nan 8.370 nan 0.000 0.487 322 P HA -0.096 nan 4.420 nan 0.000 0.220 322 P C 1.036 178.335 177.300 -0.002 0.000 1.148 322 P CA 0.754 63.853 63.100 -0.001 0.000 0.803 322 P CB 0.354 32.053 31.700 -0.001 0.000 0.782 323 E N -0.387 119.814 120.200 0.001 0.000 2.107 323 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 323 E C 1.749 178.349 176.600 -0.000 0.000 0.982 323 E CA 0.700 57.101 56.400 0.001 0.000 0.809 323 E CB -0.160 29.544 29.700 0.006 0.000 0.756 323 E HN -0.047 nan 8.360 nan 0.000 0.459 324 V N 1.168 121.083 119.914 0.001 0.000 2.427 324 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 324 V C 2.251 178.336 176.094 -0.015 0.000 1.051 324 V CA 1.744 64.042 62.300 -0.004 0.000 1.048 324 V CB -0.454 31.369 31.823 0.001 0.000 0.666 324 V HN 0.292 nan 8.190 nan 0.000 0.456 325 Q N -0.033 119.760 119.800 -0.012 0.000 2.084 325 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 325 Q C 2.399 178.388 176.000 -0.017 0.000 0.978 325 Q CA 1.806 57.600 55.803 -0.015 0.000 0.844 325 Q CB -0.398 28.333 28.738 -0.011 0.000 0.898 325 Q HN 0.669 nan 8.270 nan 0.000 0.426 326 A N 0.791 123.603 122.820 -0.014 0.000 1.969 326 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 326 A C 2.225 179.797 177.584 -0.019 0.000 1.169 326 A CA 1.322 53.350 52.037 -0.014 0.000 0.635 326 A CB -0.547 18.446 19.000 -0.010 0.000 0.810 326 A HN 0.383 nan 8.150 nan 0.000 0.445 327 A N -0.007 122.801 122.820 -0.020 0.000 1.898 327 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 327 A C 2.475 180.036 177.584 -0.038 0.000 1.181 327 A CA 1.815 53.837 52.037 -0.025 0.000 0.620 327 A CB -0.935 18.055 19.000 -0.018 0.000 0.819 327 A HN 0.980 nan 8.150 nan 0.000 0.442 328 A N -0.147 122.647 122.820 -0.044 0.000 1.933 328 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 328 A C 2.254 179.817 177.584 -0.036 0.000 1.175 328 A CA 1.485 53.489 52.037 -0.055 0.000 0.628 328 A CB -0.425 18.541 19.000 -0.057 0.000 0.814 328 A HN 0.545 nan 8.150 nan 0.000 0.444 329 R N -1.288 119.197 120.500 -0.026 0.000 2.090 329 R HA -0.011 4.329 4.340 -0.000 0.000 0.228 329 R C 2.098 178.392 176.300 -0.011 0.000 1.110 329 R CA 1.144 57.233 56.100 -0.017 0.000 0.973 329 R CB -0.503 29.788 30.300 -0.015 0.000 0.869 329 R HN 0.495 nan 8.270 nan 0.000 0.440 330 L N 1.264 122.476 121.223 -0.018 0.000 2.017 330 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 330 L C 1.959 178.828 176.870 -0.002 0.000 1.073 330 L CA 1.679 56.506 54.840 -0.022 0.000 0.745 330 L CB -0.364 41.667 42.059 -0.045 0.000 0.894 330 L HN 0.091 nan 8.230 nan 0.000 0.432 331 L N -0.569 120.655 121.223 0.001 0.000 2.083 331 L HA -0.145 4.194 4.340 -0.000 0.000 0.209 331 L C 2.646 179.576 176.870 0.100 0.000 1.083 331 L CA 1.069 55.949 54.840 0.067 0.000 0.752 331 L CB -0.889 41.192 42.059 0.038 0.000 0.899 331 L HN 0.384 nan 8.230 nan 0.000 0.433 332 A N -0.119 122.719 122.820 0.030 0.000 1.969 332 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 332 A C 2.369 179.965 177.584 0.020 0.000 1.169 332 A CA 1.585 53.627 52.037 0.008 0.000 0.635 332 A CB -0.487 18.506 19.000 -0.013 0.000 0.810 332 A HN 0.387 nan 8.150 nan 0.000 0.445 333 A N -2.204 120.643 122.820 0.044 0.000 2.218 333 A HA 0.220 4.540 4.320 -0.000 0.000 0.209 333 A C 0.629 178.271 177.584 0.096 0.000 1.168 333 A CA -0.201 51.861 52.037 0.042 0.000 0.804 333 A CB -0.350 18.666 19.000 0.027 0.000 0.834 333 A HN 0.636 nan 8.150 nan 0.000 0.482 334 W N 2.706 123.939 121.300 -0.112 0.000 2.216 334 W HA 0.314 4.973 4.660 -0.000 0.000 0.326 334 W C 0.291 176.711 176.519 -0.164 0.000 1.319 334 W CA -0.466 56.793 57.345 -0.145 0.000 1.213 334 W CB 0.660 30.013 29.460 -0.178 0.000 1.171 334 W HN 0.407 nan 8.180 nan 0.000 0.557 335 D N 3.706 123.951 120.400 -0.258 0.000 2.363 335 D HA -0.135 4.505 4.640 -0.000 0.000 0.226 335 D C 0.633 176.444 176.300 -0.815 0.000 1.020 335 D CA 0.344 54.095 54.000 -0.415 0.000 0.892 335 D CB -0.238 40.427 40.800 -0.224 0.000 0.900 335 D HN 0.651 nan 8.370 nan 0.000 0.531 336 R N -0.836 118.595 120.500 -1.782 0.000 3.776 336 R HA -0.115 4.225 4.340 -0.000 0.000 0.312 336 R C -0.848 174.604 176.300 -1.413 0.000 1.181 336 R CA 0.795 55.582 56.100 -2.188 0.000 0.836 336 R CB -1.817 27.745 30.300 -1.230 0.000 1.324 336 R HN 0.317 nan 8.270 nan 0.000 0.501 337 E N 0.280 119.868 120.200 -1.020 0.000 2.183 337 E HA 0.200 4.549 4.350 -0.000 0.000 0.271 337 E C -0.254 176.064 176.600 -0.469 0.000 0.919 337 E CA -0.736 55.330 56.400 -0.556 0.000 0.781 337 E CB 0.620 30.157 29.700 -0.273 0.000 1.140 337 E HN 0.075 nan 8.360 nan 0.000 0.402 338 F N 2.061 121.758 119.950 -0.420 0.000 2.661 338 F HA 0.030 4.557 4.527 -0.000 0.000 0.356 338 F C 1.211 176.538 175.800 -0.788 0.000 1.244 338 F CA -0.273 57.346 58.000 -0.635 0.000 1.290 338 F CB -0.153 38.559 39.000 -0.479 0.000 1.677 338 F HN 0.126 nan 8.300 nan 0.000 0.649 339 T N -3.128 111.190 114.554 -0.394 0.000 2.902 339 T HA 0.186 4.536 4.350 -0.000 0.000 0.280 339 T C 1.353 176.066 174.700 0.022 0.000 0.992 339 T CA -0.816 61.185 62.100 -0.166 0.000 1.015 339 T CB 1.712 70.547 68.868 -0.056 0.000 1.044 339 T HN 0.253 nan 8.240 nan 0.000 0.520 340 S N 1.226 117.004 115.700 0.129 0.000 2.383 340 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 340 S C 1.586 176.249 174.600 0.105 0.000 1.030 340 S CA 1.591 59.888 58.200 0.162 0.000 1.002 340 S CB -0.527 62.727 63.200 0.090 0.000 0.829 340 S HN 0.989 nan 8.310 nan 0.000 0.467 341 D N 0.860 121.296 120.400 0.060 0.000 2.340 341 D HA 0.108 4.748 4.640 -0.000 0.000 0.220 341 D C 0.475 176.785 176.300 0.017 0.000 1.039 341 D CA -0.014 54.005 54.000 0.032 0.000 0.866 341 D CB -0.395 40.419 40.800 0.024 0.000 0.913 341 D HN 0.167 nan 8.370 nan 0.000 0.523 342 S N 0.249 115.959 115.700 0.016 0.000 2.525 342 S HA 0.084 4.554 4.470 -0.000 0.000 0.285 342 S C 1.055 175.586 174.600 -0.116 0.000 1.283 342 S CA -0.479 57.691 58.200 -0.050 0.000 1.072 342 S CB 0.496 63.641 63.200 -0.091 0.000 0.867 342 S HN 0.179 nan 8.310 nan 0.000 0.492 343 R N 3.420 123.823 120.500 -0.161 0.000 2.280 343 R HA 0.146 4.486 4.340 -0.000 0.000 0.195 343 R C 1.689 177.834 176.300 -0.258 0.000 0.935 343 R CA 0.795 56.799 56.100 -0.160 0.000 1.033 343 R CB -0.006 30.233 30.300 -0.101 0.000 0.964 343 R HN 0.687 nan 8.270 nan 0.000 0.489 344 A N 0.471 122.991 122.820 -0.500 0.000 2.197 344 A HA 0.293 4.613 4.320 -0.000 0.000 0.210 344 A C 2.077 179.160 177.584 -0.835 0.000 1.180 344 A CA 0.580 52.226 52.037 -0.652 0.000 0.846 344 A CB 0.152 18.691 19.000 -0.769 0.000 0.884 344 A HN 0.229 nan 8.150 nan 0.000 0.487 345 A N 0.517 122.794 122.820 -0.905 0.000 1.902 345 A HA -0.052 4.267 4.320 -0.000 0.000 0.217 345 A C 2.048 179.639 177.584 0.012 0.000 1.181 345 A CA 1.492 53.176 52.037 -0.587 0.000 0.623 345 A CB -0.619 18.223 19.000 -0.264 0.000 0.818 345 A HN 0.456 nan 8.150 nan 0.000 0.443 346 L N -1.030 120.201 121.223 0.015 0.000 2.046 346 L HA -0.172 4.167 4.340 -0.000 0.000 0.208 346 L C 2.570 179.481 176.870 0.069 0.000 1.077 346 L CA 1.284 56.116 54.840 -0.013 0.000 0.747 346 L CB -0.601 41.219 42.059 -0.399 0.000 0.896 346 L HN 0.497 nan 8.230 nan 0.000 0.432 347 L N -0.606 120.625 121.223 0.014 0.000 2.046 347 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 347 L C 2.349 179.312 176.870 0.154 0.000 1.077 347 L CA 1.614 56.500 54.840 0.077 0.000 0.747 347 L CB -0.629 41.439 42.059 0.015 0.000 0.896 347 L HN 0.111 nan 8.230 nan 0.000 0.432 348 F N 0.678 120.629 119.950 0.002 0.000 2.134 348 F HA -0.174 4.352 4.527 -0.000 0.000 0.299 348 F C 2.277 178.269 175.800 0.320 0.000 1.097 348 F CA 1.914 60.007 58.000 0.154 0.000 1.264 348 F CB -0.262 38.792 39.000 0.091 0.000 1.001 348 F HN 0.228 nan 8.300 nan 0.000 0.479 349 E N -0.077 120.305 120.200 0.303 0.000 2.070 349 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 349 E C 2.093 178.820 176.600 0.213 0.000 1.004 349 E CA 1.512 58.060 56.400 0.247 0.000 0.805 349 E CB -0.224 29.713 29.700 0.395 0.000 0.744 349 E HN 0.449 nan 8.360 nan 0.000 0.451 350 E N -0.033 120.295 120.200 0.212 0.000 2.106 350 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 350 E C 1.642 178.313 176.600 0.118 0.000 0.984 350 E CA 0.676 57.182 56.400 0.177 0.000 0.806 350 E CB -0.353 29.457 29.700 0.183 0.000 0.750 350 E HN 0.419 nan 8.360 nan 0.000 0.458 351 W N 1.846 123.109 121.300 -0.061 0.000 2.355 351 W HA -0.151 4.509 4.660 -0.000 0.000 0.309 351 W C 2.376 178.836 176.519 -0.097 0.000 1.206 351 W CA 2.412 59.693 57.345 -0.107 0.000 1.284 351 W CB -0.399 28.951 29.460 -0.183 0.000 1.145 351 W HN 0.037 nan 8.180 nan 0.000 0.502 352 A N 0.631 123.284 122.820 -0.278 0.000 1.972 352 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 352 A C 2.004 179.596 177.584 0.013 0.000 1.169 352 A CA 1.610 53.482 52.037 -0.275 0.000 0.635 352 A CB -0.725 18.173 19.000 -0.169 0.000 0.810 352 A HN 0.410 nan 8.150 nan 0.000 0.446 353 R N -0.642 119.928 120.500 0.116 0.000 2.105 353 R HA -0.091 4.249 4.340 -0.000 0.000 0.239 353 R C 1.881 178.064 176.300 -0.196 0.000 1.135 353 R CA 1.576 57.631 56.100 -0.076 0.000 0.967 353 R CB -0.430 29.826 30.300 -0.074 0.000 0.861 353 R HN 0.542 nan 8.270 nan 0.000 0.442 354 L N -1.194 119.894 121.223 -0.226 0.000 2.127 354 L HA -0.062 4.278 4.340 -0.000 0.000 0.203 354 L C 2.215 178.894 176.870 -0.319 0.000 1.080 354 L CA 0.631 55.324 54.840 -0.245 0.000 0.768 354 L CB -0.395 41.540 42.059 -0.206 0.000 0.924 354 L HN 0.086 nan 8.230 nan 0.000 0.444 355 F N 1.126 120.650 119.950 -0.710 0.000 2.186 355 F HA -0.081 4.445 4.527 -0.000 0.000 0.299 355 F C 1.901 177.420 175.800 -0.469 0.000 1.090 355 F CA 1.294 58.835 58.000 -0.764 0.000 1.307 355 F CB 0.037 38.129 39.000 -1.514 0.000 1.019 355 F HN -0.040 nan 8.300 nan 0.000 0.489 356 A N -0.226 122.361 122.820 -0.389 0.000 2.589 356 A HA 0.595 4.915 4.320 -0.000 0.000 0.283 356 A C 0.801 178.273 177.584 -0.187 0.000 1.187 356 A CA 0.328 52.189 52.037 -0.293 0.000 0.957 356 A CB -0.878 18.128 19.000 0.011 0.000 1.175 356 A HN 0.941 nan 8.150 nan 0.000 0.532 357 G N -0.676 107.980 108.800 -0.239 0.000 2.758 357 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 357 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 357 G C 0.266 174.930 174.900 -0.394 0.000 1.389 357 G CA -0.096 44.852 45.100 -0.253 0.000 0.845 357 G HN 0.133 nan 8.290 nan 0.000 0.572 358 Q N 0.438 120.004 119.800 -0.389 0.000 2.291 358 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 358 Q C 2.251 177.770 176.000 -0.802 0.000 0.976 358 Q CA 1.912 57.395 55.803 -0.534 0.000 0.875 358 Q CB -0.184 28.361 28.738 -0.322 0.000 0.927 358 Q HN 0.835 nan 8.270 nan 0.000 0.450 359 N N -0.686 117.670 118.700 -0.574 0.000 2.336 359 N HA -0.082 4.658 4.740 -0.000 0.000 0.189 359 N C 0.052 175.388 175.510 -0.291 0.000 1.113 359 N CA -0.014 52.765 53.050 -0.452 0.000 0.858 359 N CB -0.380 37.997 38.487 -0.184 0.000 0.970 359 N HN 0.195 nan 8.380 nan 0.000 0.471 360 F N -1.696 118.209 119.950 -0.074 0.000 2.953 360 F HA -0.288 4.239 4.527 -0.000 0.000 0.292 360 F C 1.162 176.993 175.800 0.051 0.000 0.747 360 F CA 0.379 58.372 58.000 -0.011 0.000 1.222 360 F CB -1.733 37.285 39.000 0.031 0.000 1.457 360 F HN 0.304 nan 8.300 nan 0.000 0.383 361 A N 0.271 123.164 122.820 0.122 0.000 2.348 361 A HA 0.560 4.880 4.320 -0.000 0.000 0.224 361 A C 1.487 179.118 177.584 0.080 0.000 1.227 361 A CA 0.519 52.623 52.037 0.112 0.000 0.885 361 A CB -0.351 18.684 19.000 0.059 0.000 0.933 361 A HN 0.475 nan 8.150 nan 0.000 0.506 362 G N -0.834 107.981 108.800 0.025 0.000 2.441 362 G HA2 0.382 4.342 3.960 -0.000 0.000 0.243 362 G HA3 0.382 4.342 3.960 -0.000 0.000 0.243 362 G C 0.353 175.279 174.900 0.043 0.000 1.281 362 G CA -0.166 44.914 45.100 -0.033 0.000 0.854 362 G HN 0.208 nan 8.290 nan 0.000 0.560 363 Q N 1.207 121.046 119.800 0.066 0.000 2.280 363 Q HA 0.143 4.483 4.340 -0.000 0.000 0.228 363 Q C 2.320 178.410 176.000 0.151 0.000 0.857 363 Q CA 0.536 56.487 55.803 0.247 0.000 0.939 363 Q CB 0.857 29.707 28.738 0.187 0.000 1.114 363 Q HN 0.642 nan 8.270 nan 0.000 0.514 364 A N 0.619 123.405 122.820 -0.055 0.000 2.066 364 A HA 0.063 4.383 4.320 -0.000 0.000 0.218 364 A C 2.079 179.574 177.584 -0.148 0.000 1.157 364 A CA 1.378 53.376 52.037 -0.065 0.000 0.670 364 A CB -0.565 18.385 19.000 -0.084 0.000 0.804 364 A HN 0.354 nan 8.150 nan 0.000 0.453 365 G N -1.138 107.381 108.800 -0.469 0.000 2.534 365 G HA2 0.130 4.090 3.960 -0.000 0.000 0.217 365 G HA3 0.130 4.090 3.960 -0.000 0.000 0.217 365 G C 0.425 175.229 174.900 -0.159 0.000 1.128 365 G CA -0.082 44.646 45.100 -0.620 0.000 0.784 365 G HN 0.374 nan 8.290 nan 0.000 0.542 366 F N -0.336 119.661 119.950 0.078 0.000 2.382 366 F HA 0.477 5.004 4.527 -0.000 0.000 0.331 366 F C 1.501 177.400 175.800 0.165 0.000 1.121 366 F CA -0.272 57.867 58.000 0.231 0.000 1.183 366 F CB 1.631 40.752 39.000 0.202 0.000 1.207 366 F HN 0.032 nan 8.300 nan 0.000 0.555 367 A N 1.108 124.155 122.820 0.378 0.000 1.903 367 A HA 0.087 4.407 4.320 -0.000 0.000 0.213 367 A C 0.806 178.534 177.584 0.241 0.000 1.185 367 A CA 0.824 53.012 52.037 0.251 0.000 0.628 367 A CB -0.306 18.820 19.000 0.209 0.000 0.830 367 A HN 0.621 nan 8.150 nan 0.000 0.446 368 T N 2.529 117.253 114.554 0.284 0.000 2.786 368 T HA 0.508 4.858 4.350 -0.000 0.000 0.283 368 T C -2.880 171.935 174.700 0.191 0.000 0.992 368 T CA -1.233 61.000 62.100 0.222 0.000 0.954 368 T CB 2.040 71.055 68.868 0.246 0.000 0.934 368 T HN 0.160 nan 8.240 nan 0.000 0.440 369 P HA 0.167 nan 4.420 nan 0.000 0.276 369 P C -0.435 176.943 177.300 0.130 0.000 1.244 369 P CA -0.772 62.421 63.100 0.154 0.000 0.801 369 P CB 0.887 32.675 31.700 0.146 0.000 1.006 370 W N 2.022 123.303 121.300 -0.033 0.000 2.170 370 W HA 0.268 4.928 4.660 -0.000 0.000 0.342 370 W C -0.046 176.458 176.519 -0.026 0.000 1.294 370 W CA 1.378 58.693 57.345 -0.050 0.000 1.246 370 W CB 0.433 29.851 29.460 -0.069 0.000 1.156 370 W HN 0.315 nan 8.180 nan 0.000 0.572 371 S N 5.043 120.136 115.700 -1.013 0.000 2.546 371 S HA 0.201 4.671 4.470 -0.000 0.000 0.272 371 S C -0.152 173.545 174.600 -1.505 0.000 1.140 371 S CA -0.857 56.779 58.200 -0.940 0.000 0.920 371 S CB 1.093 64.040 63.200 -0.421 0.000 1.083 371 S HN 0.620 nan 8.310 nan 0.000 0.476 372 L N 3.428 123.975 121.223 -1.126 0.000 2.362 372 L HA 0.171 4.511 4.340 -0.000 0.000 0.219 372 L C 1.398 178.112 176.870 -0.261 0.000 1.134 372 L CA 1.888 56.349 54.840 -0.631 0.000 0.807 372 L CB -0.410 41.554 42.059 -0.158 0.000 0.927 372 L HN 0.723 nan 8.230 nan 0.000 0.447 373 D N -0.050 120.198 120.400 -0.254 0.000 2.224 373 D HA -0.078 4.561 4.640 -0.000 0.000 0.205 373 D C 0.685 176.943 176.300 -0.070 0.000 0.965 373 D CA 0.973 54.913 54.000 -0.101 0.000 0.852 373 D CB 0.162 40.905 40.800 -0.095 0.000 0.947 373 D HN 0.351 nan 8.370 nan 0.000 0.494 374 K N 0.879 121.156 120.400 -0.205 0.000 2.877 374 K HA 0.160 4.480 4.320 -0.000 0.000 0.176 374 K C -2.044 174.395 176.600 -0.268 0.000 1.075 374 K CA -1.052 55.136 56.287 -0.164 0.000 0.939 374 K CB 2.257 34.666 32.500 -0.152 0.000 1.237 374 K HN -0.058 nan 8.250 nan 0.000 0.607 375 P HA -0.076 nan 4.420 nan 0.000 0.233 375 P C 0.838 178.205 177.300 0.112 0.000 1.167 375 P CA 0.809 63.863 63.100 -0.077 0.000 0.770 375 P CB 0.181 31.954 31.700 0.122 0.000 0.837 376 V N -3.302 116.574 119.914 -0.063 0.000 3.276 376 V HA 0.341 4.461 4.120 -0.000 0.000 0.319 376 V C 1.175 177.265 176.094 -0.007 0.000 1.427 376 V CA 0.638 62.922 62.300 -0.027 0.000 1.102 376 V CB -0.576 31.142 31.823 -0.175 0.000 1.020 376 V HN 0.168 nan 8.190 nan 0.000 0.456 377 S N -0.714 114.980 115.700 -0.010 0.000 2.893 377 S HA 0.296 4.765 4.470 -0.000 0.000 0.258 377 S C 0.588 175.203 174.600 0.026 0.000 1.034 377 S CA 0.434 58.632 58.200 -0.004 0.000 1.167 377 S CB 0.289 63.459 63.200 -0.050 0.000 1.137 377 S HN 0.837 nan 8.310 nan 0.000 0.650 378 T N 0.266 114.840 114.554 0.034 0.000 2.916 378 T HA 0.753 5.103 4.350 -0.000 0.000 0.292 378 T C -3.393 171.427 174.700 0.199 0.000 1.055 378 T CA -2.189 59.947 62.100 0.059 0.000 1.009 378 T CB 2.015 70.841 68.868 -0.071 0.000 1.118 378 T HN -0.025 nan 8.240 nan 0.000 0.497 379 P HA 0.381 nan 4.420 nan 0.000 0.277 379 P C -1.568 175.652 177.300 -0.133 0.000 1.271 379 P CA -0.420 62.575 63.100 -0.175 0.000 0.795 379 P CB 0.530 31.878 31.700 -0.586 0.000 1.101 380 Y N -1.267 119.010 120.300 -0.038 0.000 2.552 380 Y HA 0.485 5.034 4.550 -0.000 0.000 0.337 380 Y C -0.195 175.924 175.900 0.365 0.000 1.094 380 Y CA 0.590 58.794 58.100 0.173 0.000 1.028 380 Y CB 1.508 40.027 38.460 0.099 0.000 1.321 380 Y HN 0.999 nan 8.280 nan 0.000 0.456 381 G N 1.544 109.859 108.800 -0.808 0.000 2.730 381 G HA2 0.006 3.966 3.960 -0.000 0.000 0.686 381 G HA3 0.006 3.966 3.960 -0.000 0.000 0.686 381 G C -2.182 172.755 174.900 0.062 0.000 1.343 381 G CA -0.603 44.212 45.100 -0.476 0.000 0.826 381 G HN 1.095 nan 8.290 nan 0.000 0.582 382 V N 2.112 122.049 119.914 0.039 0.000 2.357 382 V HA 0.438 4.558 4.120 -0.000 0.000 0.284 382 V C 1.685 177.873 176.094 0.158 0.000 1.018 382 V CA 0.303 62.685 62.300 0.136 0.000 0.841 382 V CB 1.236 33.085 31.823 0.043 0.000 0.991 382 V HN 0.978 nan 8.190 nan 0.000 0.437 383 R N 2.860 123.481 120.500 0.202 0.000 2.073 383 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 383 R C 0.521 176.894 176.300 0.122 0.000 1.134 383 R CA 1.668 57.860 56.100 0.154 0.000 0.952 383 R CB 0.287 30.672 30.300 0.142 0.000 0.850 383 R HN 0.746 nan 8.270 nan 0.000 0.433 384 D N -0.830 119.650 120.400 0.133 0.000 2.412 384 D HA 0.199 4.839 4.640 -0.000 0.000 0.276 384 D C -2.121 174.249 176.300 0.117 0.000 1.196 384 D CA -2.293 51.770 54.000 0.107 0.000 0.905 384 D CB 1.585 42.440 40.800 0.092 0.000 1.081 384 D HN -0.031 nan 8.370 nan 0.000 0.502 385 P HA -0.139 nan 4.420 nan 0.000 0.218 385 P C 1.434 178.781 177.300 0.077 0.000 1.148 385 P CA 0.719 63.866 63.100 0.079 0.000 0.822 385 P CB 0.453 32.180 31.700 0.046 0.000 0.784 386 K N -0.031 120.409 120.400 0.068 0.000 2.026 386 K HA -0.087 4.233 4.320 -0.000 0.000 0.208 386 K C 1.948 178.594 176.600 0.076 0.000 1.048 386 K CA 1.653 57.976 56.287 0.059 0.000 0.929 386 K CB -0.762 31.766 32.500 0.047 0.000 0.713 386 K HN -0.004 nan 8.250 nan 0.000 0.439 387 A N 0.997 123.869 122.820 0.088 0.000 1.902 387 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 387 A C 2.329 180.003 177.584 0.150 0.000 1.181 387 A CA 2.069 54.165 52.037 0.097 0.000 0.623 387 A CB -0.617 18.434 19.000 0.085 0.000 0.818 387 A HN 0.407 nan 8.150 nan 0.000 0.443 388 A N -0.715 122.230 122.820 0.208 0.000 1.969 388 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 388 A C 2.174 179.963 177.584 0.341 0.000 1.169 388 A CA 1.628 53.881 52.037 0.361 0.000 0.635 388 A CB -0.713 18.522 19.000 0.391 0.000 0.810 388 A HN 0.362 nan 8.150 nan 0.000 0.445 389 V N 0.350 120.363 119.914 0.164 0.000 2.427 389 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 389 V C 2.146 178.309 176.094 0.115 0.000 1.051 389 V CA 2.137 64.494 62.300 0.095 0.000 1.048 389 V CB -0.678 31.170 31.823 0.042 0.000 0.666 389 V HN 0.479 nan 8.190 nan 0.000 0.456 390 D N -0.207 120.260 120.400 0.112 0.000 2.123 390 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 390 D C 2.337 178.708 176.300 0.118 0.000 0.992 390 D CA 1.323 55.379 54.000 0.093 0.000 0.833 390 D CB -0.188 40.653 40.800 0.069 0.000 0.954 390 D HN 0.516 nan 8.370 nan 0.000 0.455 391 Q N -0.187 119.712 119.800 0.165 0.000 2.096 391 Q HA -0.167 4.173 4.340 -0.000 0.000 0.204 391 Q C 2.191 178.366 176.000 0.292 0.000 0.982 391 Q CA 0.721 56.627 55.803 0.172 0.000 0.850 391 Q CB -0.135 28.675 28.738 0.119 0.000 0.901 391 Q HN 0.181 nan 8.270 nan 0.000 0.422 392 L N 0.889 122.352 121.223 0.400 0.000 2.083 392 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 392 L C 2.298 179.260 176.870 0.154 0.000 1.083 392 L CA 1.738 56.760 54.840 0.303 0.000 0.752 392 L CB -0.450 41.653 42.059 0.072 0.000 0.899 392 L HN 0.069 nan 8.230 nan 0.000 0.433 393 R N -1.198 119.369 120.500 0.110 0.000 2.080 393 R HA -0.176 4.164 4.340 -0.000 0.000 0.236 393 R C 2.045 178.386 176.300 0.068 0.000 1.137 393 R CA 2.227 58.369 56.100 0.070 0.000 0.943 393 R CB -0.511 29.822 30.300 0.055 0.000 0.846 393 R HN 0.413 nan 8.270 nan 0.000 0.431 394 T N 0.575 115.172 114.554 0.072 0.000 2.720 394 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 394 T C 1.785 176.524 174.700 0.065 0.000 1.037 394 T CA 1.412 63.545 62.100 0.054 0.000 1.144 394 T CB -0.298 68.595 68.868 0.041 0.000 0.864 394 T HN 0.469 nan 8.240 nan 0.000 0.444 395 A N 0.732 123.615 122.820 0.104 0.000 1.969 395 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 395 A C 2.247 179.895 177.584 0.105 0.000 1.169 395 A CA 1.012 53.121 52.037 0.120 0.000 0.635 395 A CB -0.709 18.415 19.000 0.206 0.000 0.810 395 A HN 0.514 nan 8.150 nan 0.000 0.445 396 I N -0.293 120.331 120.570 0.090 0.000 2.179 396 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 396 I C 2.965 179.115 176.117 0.055 0.000 1.088 396 I CA 1.118 62.458 61.300 0.067 0.000 1.357 396 I CB -0.260 37.769 38.000 0.048 0.000 1.051 396 I HN 0.340 nan 8.210 nan 0.000 0.409 397 A N 0.859 123.706 122.820 0.045 0.000 1.877 397 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 397 A C 2.059 179.659 177.584 0.027 0.000 1.186 397 A CA 2.034 54.089 52.037 0.030 0.000 0.620 397 A CB -0.735 18.278 19.000 0.022 0.000 0.822 397 A HN 0.414 nan 8.150 nan 0.000 0.443 398 N N -0.163 118.557 118.700 0.034 0.000 2.166 398 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 398 N C 1.688 177.220 175.510 0.036 0.000 1.019 398 N CA 1.928 54.992 53.050 0.022 0.000 0.856 398 N CB -0.861 37.644 38.487 0.031 0.000 0.993 398 N HN 0.514 nan 8.380 nan 0.000 0.426 399 T N 1.225 115.835 114.554 0.093 0.000 2.777 399 T HA -0.008 4.342 4.350 -0.000 0.000 0.266 399 T C 1.814 176.599 174.700 0.141 0.000 1.040 399 T CA 0.896 63.103 62.100 0.180 0.000 1.141 399 T CB 0.070 69.041 68.868 0.172 0.000 0.868 399 T HN 0.266 nan 8.240 nan 0.000 0.444 400 K N 0.746 121.190 120.400 0.074 0.000 2.097 400 K HA -0.021 4.299 4.320 -0.000 0.000 0.205 400 K C 2.541 179.148 176.600 0.011 0.000 1.050 400 K CA 0.884 57.199 56.287 0.048 0.000 0.938 400 K CB -0.113 32.405 32.500 0.030 0.000 0.718 400 K HN 0.181 nan 8.250 nan 0.000 0.442 401 R N 1.617 122.107 120.500 -0.016 0.000 2.075 401 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 401 R C 1.894 178.125 176.300 -0.115 0.000 1.126 401 R CA 1.442 57.512 56.100 -0.051 0.000 0.963 401 R CB 0.153 30.425 30.300 -0.047 0.000 0.858 401 R HN 0.017 nan 8.270 nan 0.000 0.435 402 K N -1.166 119.110 120.400 -0.208 0.000 2.076 402 K HA -0.103 4.217 4.320 -0.000 0.000 0.204 402 K C 1.123 177.403 176.600 -0.533 0.000 1.051 402 K CA 1.398 57.394 56.287 -0.485 0.000 0.949 402 K CB 0.166 32.152 32.500 -0.856 0.000 0.726 402 K HN 0.306 nan 8.250 nan 0.000 0.443 403 Y N -1.739 118.550 120.300 -0.019 0.000 2.453 403 Y HA 0.207 4.757 4.550 -0.000 0.000 0.247 403 Y C 1.269 177.151 175.900 -0.031 0.000 1.124 403 Y CA -0.010 58.070 58.100 -0.034 0.000 1.243 403 Y CB 1.751 40.186 38.460 -0.041 0.000 1.213 403 Y HN 0.218 nan 8.280 nan 0.000 0.523 404 G N 0.654 109.503 108.800 0.082 0.000 2.217 404 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.246 404 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.246 404 G C 0.108 175.035 174.900 0.044 0.000 0.990 404 G CA -0.030 45.097 45.100 0.045 0.000 0.627 404 G HN 0.828 nan 8.290 nan 0.000 0.522 405 A N -1.151 121.709 122.820 0.067 0.000 2.567 405 A HA 0.699 5.019 4.320 -0.000 0.000 0.291 405 A C 0.667 178.281 177.584 0.050 0.000 1.048 405 A CA 0.025 52.087 52.037 0.042 0.000 0.661 405 A CB -0.162 18.851 19.000 0.020 0.000 1.288 405 A HN 1.470 nan 8.150 nan 0.000 0.424 406 I N -1.971 118.614 120.570 0.026 0.000 3.428 406 I HA 0.213 4.382 4.170 -0.000 0.000 0.286 406 I C 0.479 176.582 176.117 -0.024 0.000 1.287 406 I CA 1.258 62.567 61.300 0.016 0.000 1.396 406 I CB -0.010 37.996 38.000 0.010 0.000 1.062 406 I HN 0.442 nan 8.210 nan 0.000 0.471 407 D N 0.961 121.342 120.400 -0.031 0.000 2.760 407 D HA 0.101 4.740 4.640 -0.000 0.000 0.314 407 D C 0.329 176.593 176.300 -0.061 0.000 1.464 407 D CA -0.435 53.529 54.000 -0.060 0.000 0.797 407 D CB -0.267 40.502 40.800 -0.052 0.000 1.149 407 D HN 0.277 nan 8.370 nan 0.000 0.455 408 R N 1.278 121.740 120.500 -0.062 0.000 2.537 408 R HA 0.244 4.584 4.340 -0.000 0.000 0.280 408 R C -2.262 173.975 176.300 -0.105 0.000 1.058 408 R CA -0.970 55.086 56.100 -0.074 0.000 1.057 408 R CB 0.321 30.580 30.300 -0.068 0.000 0.973 408 R HN -0.084 nan 8.270 nan 0.000 0.438 409 P HA -0.079 nan 4.420 nan 0.000 0.265 409 P C -0.171 177.078 177.300 -0.084 0.000 1.193 409 P CA 0.169 63.233 63.100 -0.061 0.000 0.765 409 P CB 0.288 31.962 31.700 -0.043 0.000 0.823 410 F N 3.941 123.762 119.950 -0.215 0.000 2.065 410 F HA -0.149 4.378 4.527 -0.000 0.000 0.298 410 F C 2.158 177.766 175.800 -0.320 0.000 1.112 410 F CA 2.554 60.386 58.000 -0.280 0.000 1.212 410 F CB -0.823 38.066 39.000 -0.184 0.000 0.975 410 F HN 0.393 nan 8.300 nan 0.000 0.476 411 G N -1.421 107.336 108.800 -0.072 0.000 2.776 411 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.209 411 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.209 411 G C 1.027 175.807 174.900 -0.199 0.000 1.145 411 G CA 0.844 45.842 45.100 -0.171 0.000 0.791 411 G HN 0.501 nan 8.290 nan 0.000 0.530 412 D N -0.162 120.125 120.400 -0.188 0.000 2.262 412 D HA 0.209 4.849 4.640 -0.000 0.000 0.212 412 D C 2.568 178.754 176.300 -0.190 0.000 0.964 412 D CA 0.918 54.829 54.000 -0.148 0.000 0.875 412 D CB -0.007 40.735 40.800 -0.097 0.000 0.996 412 D HN 0.131 nan 8.370 nan 0.000 0.497 413 A N -0.267 122.383 122.820 -0.284 0.000 1.898 413 A HA 0.126 4.446 4.320 -0.000 0.000 0.214 413 A C 1.242 178.570 177.584 -0.426 0.000 1.183 413 A CA 0.463 52.331 52.037 -0.283 0.000 0.622 413 A CB -0.085 18.701 19.000 -0.355 0.000 0.824 413 A HN 0.196 nan 8.150 nan 0.000 0.444 414 S N 1.739 116.981 115.700 -0.765 0.000 2.399 414 S HA 0.534 5.004 4.470 -0.000 0.000 0.301 414 S C -0.240 173.956 174.600 -0.674 0.000 1.093 414 S CA -0.566 56.931 58.200 -1.171 0.000 1.077 414 S CB 0.324 62.147 63.200 -2.294 0.000 0.980 414 S HN 0.367 nan 8.310 nan 0.000 0.494 415 R N 2.113 122.441 120.500 -0.286 0.000 2.803 415 R HA 0.547 4.887 4.340 -0.000 0.000 0.276 415 R C -0.691 175.691 176.300 0.137 0.000 0.978 415 R CA -0.698 55.368 56.100 -0.057 0.000 0.939 415 R CB 1.233 31.510 30.300 -0.037 0.000 1.179 415 R HN 0.542 nan 8.270 nan 0.000 0.472 416 M N 3.035 122.705 119.600 0.117 0.000 2.125 416 M HA 0.529 5.009 4.480 -0.000 0.000 0.321 416 M C -0.509 175.871 176.300 0.132 0.000 0.983 416 M CA -0.297 55.103 55.300 0.167 0.000 0.934 416 M CB 1.373 34.071 32.600 0.163 0.000 1.542 416 M HN 0.327 nan 8.290 nan 0.000 0.424 417 I N 5.358 126.023 120.570 0.158 0.000 2.468 417 I HA 0.501 4.671 4.170 -0.000 0.000 0.284 417 I C -1.149 175.060 176.117 0.152 0.000 1.038 417 I CA -0.439 60.936 61.300 0.125 0.000 1.083 417 I CB 1.637 39.703 38.000 0.109 0.000 1.223 417 I HN 0.626 nan 8.210 nan 0.000 0.443 418 L N 6.558 127.850 121.223 0.114 0.000 2.409 418 L HA 0.540 4.880 4.340 -0.000 0.000 0.272 418 L C 0.232 177.197 176.870 0.158 0.000 0.980 418 L CA -0.626 54.290 54.840 0.126 0.000 0.826 418 L CB 1.674 43.671 42.059 -0.104 0.000 1.268 418 L HN 0.647 nan 8.230 nan 0.000 0.407 419 N N 2.350 121.194 118.700 0.239 0.000 1.276 419 N HA -0.301 4.439 4.740 -0.000 0.000 0.137 419 N C 0.510 176.084 175.510 0.106 0.000 0.642 419 N CA 2.277 55.427 53.050 0.167 0.000 0.986 419 N CB -0.617 37.974 38.487 0.173 0.000 1.277 419 N HN 0.986 nan 8.380 nan 0.000 0.495 420 D N 0.927 121.377 120.400 0.083 0.000 2.402 420 D HA 0.231 4.871 4.640 -0.000 0.000 0.216 420 D C -0.078 176.253 176.300 0.051 0.000 1.128 420 D CA -0.041 53.995 54.000 0.059 0.000 0.833 420 D CB -0.274 40.554 40.800 0.047 0.000 0.971 420 D HN 0.240 nan 8.370 nan 0.000 0.503 421 V N 1.474 121.422 119.914 0.055 0.000 2.465 421 V HA 0.358 4.478 4.120 -0.000 0.000 0.279 421 V C -0.047 176.075 176.094 0.046 0.000 1.045 421 V CA -0.686 61.639 62.300 0.042 0.000 0.938 421 V CB 1.165 33.008 31.823 0.033 0.000 0.986 421 V HN 0.203 nan 8.190 nan 0.000 0.467 422 N N 4.141 122.862 118.700 0.036 0.000 2.558 422 N HA 0.488 5.228 4.740 -0.000 0.000 0.285 422 N C -1.169 174.354 175.510 0.021 0.000 1.112 422 N CA -0.226 52.845 53.050 0.034 0.000 0.857 422 N CB 2.000 40.504 38.487 0.029 0.000 1.376 422 N HN 0.548 nan 8.380 nan 0.000 0.526 423 V N 1.237 121.164 119.914 0.021 0.000 3.001 423 V HA 0.825 4.945 4.120 -0.000 0.000 0.314 423 V C -2.607 173.485 176.094 -0.003 0.000 1.099 423 V CA -2.232 60.073 62.300 0.009 0.000 0.989 423 V CB 1.956 33.786 31.823 0.011 0.000 1.040 423 V HN 0.382 nan 8.190 nan 0.000 0.434 424 P HA 0.318 nan 4.420 nan 0.000 0.275 424 P C 0.141 177.426 177.300 -0.026 0.000 1.227 424 P CA 0.558 63.638 63.100 -0.034 0.000 0.781 424 P CB 0.998 32.689 31.700 -0.015 0.000 0.906 425 G N 1.157 109.909 108.800 -0.079 0.000 2.451 425 G HA2 0.614 4.574 3.960 -0.000 0.000 0.303 425 G HA3 0.614 4.574 3.960 -0.000 0.000 0.303 425 G C -0.989 173.980 174.900 0.116 0.000 1.166 425 G CA -0.368 44.726 45.100 -0.010 0.000 0.884 425 G HN 0.713 nan 8.290 nan 0.000 0.514 426 A N -0.480 122.503 122.820 0.272 0.000 2.599 426 A HA 1.030 5.350 4.320 -0.000 0.000 0.290 426 A C 0.246 178.171 177.584 0.568 0.000 1.101 426 A CA 0.393 52.697 52.037 0.445 0.000 0.674 426 A CB 0.802 19.987 19.000 0.309 0.000 1.277 426 A HN 2.828 nan 8.150 nan 0.000 0.419 427 A N -1.667 121.481 122.820 0.545 0.000 6.702 427 A HA 0.447 4.767 4.320 -0.000 0.000 0.279 427 A C 1.174 179.091 177.584 0.554 0.000 2.141 427 A CA 1.449 53.824 52.037 0.563 0.000 0.658 427 A CB -1.838 17.548 19.000 0.643 0.000 1.332 427 A HN 3.134 nan 8.150 nan 0.000 0.388 428 G N -2.187 106.743 108.800 0.217 0.000 2.704 428 G HA2 0.565 4.525 3.960 -0.000 0.000 0.118 428 G HA3 0.565 4.525 3.960 -0.000 0.000 0.118 428 G C -0.661 174.099 174.900 -0.233 0.000 1.197 428 G CA 0.020 45.105 45.100 -0.025 0.000 1.152 428 G HN 1.416 nan 8.290 nan 0.000 0.571 429 Y N 2.008 122.234 120.300 -0.123 0.000 2.465 429 Y HA 0.353 4.903 4.550 -0.000 0.000 0.331 429 Y C 1.838 177.734 175.900 -0.008 0.000 1.102 429 Y CA 0.499 58.579 58.100 -0.034 0.000 1.358 429 Y CB 1.599 40.057 38.460 -0.003 0.000 1.213 429 Y HN 0.562 nan 8.280 nan 0.000 0.525 430 G N 2.539 111.435 108.800 0.160 0.000 2.440 430 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 430 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 430 G C 1.362 176.377 174.900 0.192 0.000 1.154 430 G CA 0.850 46.019 45.100 0.114 0.000 0.767 430 G HN 0.572 nan 8.290 nan 0.000 0.552 431 N N 0.267 119.114 118.700 0.245 0.000 2.520 431 N HA 0.039 4.779 4.740 -0.000 0.000 0.185 431 N C 1.933 177.603 175.510 0.267 0.000 1.068 431 N CA 0.314 53.523 53.050 0.264 0.000 0.911 431 N CB -0.049 38.631 38.487 0.322 0.000 0.961 431 N HN 0.328 nan 8.380 nan 0.000 0.446 432 L N -1.386 119.969 121.223 0.220 0.000 2.509 432 L HA 0.202 4.542 4.340 -0.000 0.000 0.222 432 L C 1.350 178.438 176.870 0.364 0.000 1.123 432 L CA 0.448 55.466 54.840 0.296 0.000 0.856 432 L CB 0.051 42.301 42.059 0.319 0.000 0.985 432 L HN 0.233 nan 8.230 nan 0.000 0.456 433 G N -1.021 107.963 108.800 0.308 0.000 2.229 433 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.189 433 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.189 433 G C 0.372 175.451 174.900 0.299 0.000 1.000 433 G CA 0.051 45.318 45.100 0.279 0.000 0.663 433 G HN 0.158 nan 8.290 nan 0.000 0.493 434 S N 0.209 116.108 115.700 0.332 0.000 2.498 434 S HA 0.458 4.928 4.470 -0.000 0.000 0.281 434 S C 1.122 175.858 174.600 0.225 0.000 1.265 434 S CA 0.154 58.545 58.200 0.319 0.000 1.071 434 S CB 0.187 63.544 63.200 0.263 0.000 0.894 434 S HN 0.567 nan 8.310 nan 0.000 0.491 435 F N 5.484 125.495 119.950 0.100 0.000 2.098 435 F HA 0.192 4.719 4.527 -0.000 0.000 0.294 435 F C 1.462 177.243 175.800 -0.032 0.000 1.107 435 F CA 0.938 58.955 58.000 0.028 0.000 1.234 435 F CB -0.005 39.006 39.000 0.019 0.000 1.002 435 F HN 0.504 nan 8.300 nan 0.000 0.472 436 R N 1.444 121.983 120.500 0.065 0.000 2.347 436 R HA 0.353 4.693 4.340 -0.000 0.000 0.304 436 R C -1.499 174.695 176.300 -0.176 0.000 1.072 436 R CA -0.127 55.925 56.100 -0.081 0.000 0.980 436 R CB 0.539 30.898 30.300 0.099 0.000 0.986 436 R HN 0.037 nan 8.270 nan 0.000 0.448 437 V N 6.320 125.928 119.914 -0.511 0.000 2.513 437 V HA 0.477 4.597 4.120 -0.000 0.000 0.299 437 V C -0.850 174.641 176.094 -1.005 0.000 1.035 437 V CA -0.508 61.403 62.300 -0.649 0.000 0.889 437 V CB 1.561 32.827 31.823 -0.929 0.000 0.988 437 V HN 0.626 nan 8.190 nan 0.000 0.440 438 F N 1.368 120.977 119.950 -0.567 0.000 2.659 438 F HA 0.329 4.856 4.527 -0.000 0.000 0.342 438 F C 0.508 175.592 175.800 -1.193 0.000 1.168 438 F CA -0.484 56.935 58.000 -0.969 0.000 1.003 438 F CB 2.006 40.218 39.000 -1.313 0.000 1.267 438 F HN 0.305 nan 8.300 nan 0.000 0.463 439 T N 2.748 116.900 114.554 -0.671 0.000 3.176 439 T HA 0.068 4.417 4.350 -0.000 0.000 0.301 439 T C -0.310 174.148 174.700 -0.403 0.000 1.115 439 T CA -0.326 61.550 62.100 -0.375 0.000 1.027 439 T CB -0.487 68.425 68.868 0.074 0.000 1.063 439 T HN 0.310 nan 8.240 nan 0.000 0.669 440 W N 3.104 124.186 121.300 -0.363 0.000 2.223 440 W HA 0.261 4.921 4.660 -0.000 0.000 0.334 440 W C 1.280 177.834 176.519 0.059 0.000 1.334 440 W CA -0.767 56.471 57.345 -0.177 0.000 1.246 440 W CB 0.194 29.511 29.460 -0.238 0.000 1.184 440 W HN 0.533 nan 8.180 nan 0.000 0.563 441 S N 1.815 117.659 115.700 0.240 0.000 2.596 441 S HA 0.066 4.536 4.470 -0.000 0.000 0.260 441 S C 0.075 174.801 174.600 0.211 0.000 1.336 441 S CA -0.931 57.377 58.200 0.179 0.000 0.993 441 S CB 0.616 63.883 63.200 0.111 0.000 0.923 441 S HN 0.423 nan 8.310 nan 0.000 0.567 442 D N 2.913 123.397 120.400 0.139 0.000 2.472 442 D HA 0.221 4.861 4.640 -0.000 0.000 0.237 442 D C -1.906 174.431 176.300 0.062 0.000 1.141 442 D CA -0.679 53.375 54.000 0.090 0.000 0.875 442 D CB 0.129 40.949 40.800 0.035 0.000 1.192 442 D HN 0.453 nan 8.370 nan 0.000 0.450 443 P HA 0.068 nan 4.420 nan 0.000 0.275 443 P C -0.286 176.993 177.300 -0.035 0.000 1.228 443 P CA -0.501 62.589 63.100 -0.017 0.000 0.786 443 P CB 0.754 32.367 31.700 -0.146 0.000 0.927 444 D N 1.098 121.490 120.400 -0.013 0.000 2.414 444 D HA -0.059 4.580 4.640 -0.000 0.000 0.259 444 D C 1.339 177.618 176.300 -0.036 0.000 1.269 444 D CA -0.257 53.734 54.000 -0.016 0.000 1.028 444 D CB 0.106 40.907 40.800 0.002 0.000 1.093 444 D HN 0.414 nan 8.370 nan 0.000 0.545 445 E N 0.012 120.196 120.200 -0.027 0.000 2.209 445 E HA -0.250 4.099 4.350 -0.000 0.000 0.196 445 E C 0.396 176.978 176.600 -0.029 0.000 0.993 445 E CA 1.030 57.411 56.400 -0.031 0.000 0.819 445 E CB -0.623 29.065 29.700 -0.020 0.000 0.745 445 E HN 0.430 nan 8.360 nan 0.000 0.477 446 N N 0.650 119.339 118.700 -0.018 0.000 2.322 446 N HA 0.096 4.836 4.740 -0.000 0.000 0.194 446 N C 0.915 176.426 175.510 0.001 0.000 1.126 446 N CA 0.824 53.868 53.050 -0.009 0.000 0.845 446 N CB 0.865 39.351 38.487 -0.003 0.000 0.976 446 N HN 0.447 nan 8.380 nan 0.000 0.475 447 G N 0.135 108.925 108.800 -0.016 0.000 2.155 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 447 G C -0.003 174.954 174.900 0.095 0.000 0.983 447 G CA 0.239 45.357 45.100 0.030 0.000 0.676 447 G HN 0.213 nan 8.290 nan 0.000 0.528 448 V N 1.712 121.644 119.914 0.030 0.000 2.546 448 V HA 0.695 4.815 4.120 -0.000 0.000 0.284 448 V C 0.792 176.900 176.094 0.024 0.000 1.050 448 V CA 0.198 62.503 62.300 0.007 0.000 0.981 448 V CB 1.270 33.092 31.823 -0.002 0.000 0.990 448 V HN 0.733 nan 8.190 nan 0.000 0.474 449 R N 2.293 122.794 120.500 0.002 0.000 2.771 449 R HA 0.877 5.217 4.340 -0.000 0.000 0.274 449 R C -0.865 175.517 176.300 0.136 0.000 0.987 449 R CA -0.667 55.475 56.100 0.071 0.000 0.908 449 R CB 2.280 32.645 30.300 0.109 0.000 1.213 449 R HN 0.656 nan 8.270 nan 0.000 0.468 450 T N -1.881 112.810 114.554 0.228 0.000 2.883 450 T HA 0.548 4.898 4.350 -0.000 0.000 0.296 450 T C -2.928 171.807 174.700 0.058 0.000 1.117 450 T CA -2.494 59.759 62.100 0.255 0.000 1.006 450 T CB 2.051 71.002 68.868 0.138 0.000 1.191 450 T HN 0.388 nan 8.240 nan 0.000 0.508 451 P HA 0.194 nan 4.420 nan 0.000 0.271 451 P C 1.208 178.091 177.300 -0.695 0.000 1.233 451 P CA -0.498 62.084 63.100 -0.862 0.000 0.764 451 P CB 0.712 31.453 31.700 -1.598 0.000 0.825 452 V N 1.167 120.839 119.914 -0.402 0.000 3.306 452 V HA 0.117 4.237 4.120 -0.000 0.000 0.264 452 V C 0.524 176.525 176.094 -0.155 0.000 1.149 452 V CA 1.095 63.287 62.300 -0.180 0.000 1.143 452 V CB -1.004 30.803 31.823 -0.026 0.000 0.767 452 V HN 0.678 nan 8.190 nan 0.000 0.476 453 H N -1.686 117.034 119.070 -0.584 0.000 3.020 453 H HA 0.508 5.064 4.556 -0.000 0.000 0.303 453 H C -0.299 174.782 175.328 -0.412 0.000 1.332 453 H CA 0.254 56.128 56.048 -0.290 0.000 1.282 453 H CB 1.329 31.031 29.762 -0.099 0.000 1.928 453 H HN 0.642 nan 8.280 nan 0.000 0.519 454 G N 2.253 110.584 108.800 -0.782 0.000 2.236 454 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.231 454 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.231 454 G C -1.169 173.634 174.900 -0.161 0.000 1.334 454 G CA -0.393 44.302 45.100 -0.675 0.000 1.137 454 G HN 0.551 nan 8.290 nan 0.000 0.482 455 E N 1.503 121.485 120.200 -0.363 0.000 2.652 455 E HA 0.235 4.585 4.350 -0.000 0.000 0.255 455 E C 1.221 177.773 176.600 -0.080 0.000 0.952 455 E CA 1.226 57.489 56.400 -0.228 0.000 0.947 455 E CB 0.852 30.296 29.700 -0.427 0.000 0.912 455 E HN 0.864 nan 8.360 nan 0.000 0.489 456 T N -0.305 114.122 114.554 -0.213 0.000 3.216 456 T HA 0.075 4.425 4.350 -0.000 0.000 0.167 456 T C 0.356 174.856 174.700 -0.333 0.000 0.905 456 T CA -0.652 61.192 62.100 -0.427 0.000 1.042 456 T CB -0.012 68.774 68.868 -0.137 0.000 1.787 456 T HN 0.586 nan 8.240 nan 0.000 0.355 457 W N 3.255 124.274 121.300 -0.469 0.000 2.311 457 W HA 0.571 5.231 4.660 -0.000 0.000 0.310 457 W C -1.858 174.450 176.519 -0.352 0.000 1.274 457 W CA -0.684 56.402 57.345 -0.432 0.000 1.215 457 W CB 0.950 30.037 29.460 -0.622 0.000 1.227 457 W HN 0.279 nan 8.180 nan 0.000 0.523 458 V N 6.067 125.422 119.914 -0.931 0.000 2.525 458 V HA 0.712 4.832 4.120 -0.000 0.000 0.299 458 V C -0.154 175.397 176.094 -0.905 0.000 1.034 458 V CA -0.772 61.095 62.300 -0.722 0.000 0.863 458 V CB 0.735 32.421 31.823 -0.229 0.000 0.999 458 V HN 0.669 nan 8.190 nan 0.000 0.423 459 A N 5.413 127.775 122.820 -0.763 0.000 2.515 459 A HA 1.021 5.341 4.320 -0.000 0.000 0.298 459 A C -1.129 176.295 177.584 -0.266 0.000 1.059 459 A CA -0.661 51.072 52.037 -0.508 0.000 0.698 459 A CB 2.111 20.862 19.000 -0.416 0.000 1.289 459 A HN 0.766 nan 8.150 nan 0.000 0.404 460 M N 1.426 120.897 119.600 -0.214 0.000 2.267 460 M HA 0.573 5.053 4.480 -0.000 0.000 0.289 460 M C -1.519 174.659 176.300 -0.203 0.000 1.043 460 M CA 0.120 55.383 55.300 -0.061 0.000 0.928 460 M CB 2.076 34.699 32.600 0.037 0.000 1.613 460 M HN 0.533 nan 8.290 nan 0.000 0.450 461 I N 1.606 121.994 120.570 -0.303 0.000 2.498 461 I HA 0.388 4.558 4.170 -0.000 0.000 0.290 461 I C -0.540 175.242 176.117 -0.559 0.000 1.032 461 I CA -0.422 60.498 61.300 -0.634 0.000 1.073 461 I CB 2.108 39.457 38.000 -1.086 0.000 1.251 461 I HN 0.606 nan 8.210 nan 0.000 0.426 462 E N 5.261 125.158 120.200 -0.505 0.000 2.156 462 E HA 0.371 4.721 4.350 -0.000 0.000 0.279 462 E C -0.983 175.342 176.600 -0.458 0.000 0.965 462 E CA -0.525 55.648 56.400 -0.379 0.000 0.789 462 E CB 0.818 30.385 29.700 -0.221 0.000 1.098 462 E HN 0.488 nan 8.360 nan 0.000 0.397 463 F N 3.613 123.480 119.950 -0.138 0.000 2.954 463 F HA 0.097 4.624 4.527 -0.000 0.000 0.300 463 F C 0.919 176.676 175.800 -0.071 0.000 1.206 463 F CA -0.430 57.511 58.000 -0.097 0.000 1.345 463 F CB 0.001 38.940 39.000 -0.103 0.000 1.206 463 F HN 0.303 nan 8.300 nan 0.000 0.537 464 S N -1.249 114.449 115.700 -0.002 0.000 2.633 464 S HA 0.373 4.842 4.470 -0.000 0.000 0.257 464 S C 0.284 174.895 174.600 0.019 0.000 1.265 464 S CA -0.625 57.575 58.200 0.001 0.000 0.980 464 S CB 0.939 64.118 63.200 -0.035 0.000 1.017 464 S HN 0.144 nan 8.310 nan 0.000 0.577 465 T N 2.767 117.330 114.554 0.015 0.000 2.934 465 T HA 0.506 4.856 4.350 -0.000 0.000 0.328 465 T C -2.146 172.559 174.700 0.008 0.000 1.068 465 T CA -0.829 61.285 62.100 0.022 0.000 1.018 465 T CB 0.863 69.748 68.868 0.029 0.000 1.009 465 T HN 0.675 nan 8.240 nan 0.000 0.471 466 P HA 0.406 nan 4.420 nan 0.000 0.274 466 P C 0.141 177.427 177.300 -0.024 0.000 1.256 466 P CA -0.606 62.495 63.100 0.003 0.000 0.795 466 P CB 0.475 32.174 31.700 -0.002 0.000 1.038 467 V N -1.510 118.385 119.914 -0.031 0.000 3.185 467 V HA 0.406 4.526 4.120 -0.000 0.000 0.305 467 V C 0.313 176.313 176.094 -0.156 0.000 1.090 467 V CA -0.494 61.736 62.300 -0.117 0.000 1.107 467 V CB 0.172 31.902 31.823 -0.155 0.000 1.061 467 V HN 0.721 nan 8.190 nan 0.000 0.480 468 R N 1.854 122.211 120.500 -0.238 0.000 2.538 468 R HA 0.768 5.108 4.340 -0.000 0.000 0.292 468 R C -0.941 175.151 176.300 -0.347 0.000 1.008 468 R CA 0.105 56.057 56.100 -0.245 0.000 0.896 468 R CB 1.774 31.995 30.300 -0.132 0.000 1.187 468 R HN 1.332 nan 8.270 nan 0.000 0.440 469 A N 3.483 126.029 122.820 -0.457 0.000 2.549 469 A HA 0.679 4.999 4.320 -0.000 0.000 0.297 469 A C -2.040 175.201 177.584 -0.573 0.000 1.061 469 A CA -0.545 51.207 52.037 -0.476 0.000 0.690 469 A CB 1.262 19.894 19.000 -0.613 0.000 1.287 469 A HN 0.636 nan 8.150 nan 0.000 0.402 470 Y N -0.256 119.923 120.300 -0.202 0.000 2.524 470 Y HA 0.726 5.276 4.550 -0.000 0.000 0.347 470 Y C 0.676 176.525 175.900 -0.085 0.000 1.005 470 Y CA 0.062 58.103 58.100 -0.098 0.000 1.025 470 Y CB 2.981 41.370 38.460 -0.118 0.000 1.275 470 Y HN 1.184 nan 8.280 nan 0.000 0.460 471 G N 1.609 110.530 108.800 0.202 0.000 2.623 471 G HA2 0.733 4.693 3.960 -0.000 0.000 0.290 471 G HA3 0.733 4.693 3.960 -0.000 0.000 0.290 471 G C -2.313 172.609 174.900 0.036 0.000 1.437 471 G CA -0.846 44.273 45.100 0.031 0.000 0.798 471 G HN 0.525 nan 8.290 nan 0.000 0.488 472 L N -0.392 120.704 121.223 -0.212 0.000 2.415 472 L HA 0.712 5.052 4.340 -0.000 0.000 0.256 472 L C -0.985 175.795 176.870 -0.150 0.000 1.010 472 L CA -0.971 53.737 54.840 -0.220 0.000 0.826 472 L CB 2.694 44.471 42.059 -0.471 0.000 1.405 472 L HN 0.564 nan 8.230 nan 0.000 0.410 473 M N 0.226 119.797 119.600 -0.049 0.000 2.134 473 M HA 0.350 4.830 4.480 -0.000 0.000 0.310 473 M C 0.532 176.637 176.300 -0.326 0.000 0.966 473 M CA 0.098 55.345 55.300 -0.089 0.000 0.922 473 M CB 1.669 34.328 32.600 0.099 0.000 1.537 473 M HN 0.544 nan 8.290 nan 0.000 0.424 474 S N 3.464 118.806 115.700 -0.596 0.000 2.365 474 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 474 S C 0.714 174.918 174.600 -0.660 0.000 1.039 474 S CA 2.047 59.833 58.200 -0.690 0.000 1.033 474 S CB -0.513 62.039 63.200 -1.080 0.000 0.887 474 S HN 0.809 nan 8.310 nan 0.000 0.447 475 Y N 0.719 120.682 120.300 -0.561 0.000 2.708 475 Y HA 0.609 5.159 4.550 -0.000 0.000 0.287 475 Y C 0.897 176.617 175.900 -0.300 0.000 1.145 475 Y CA -1.472 56.292 58.100 -0.559 0.000 1.249 475 Y CB -1.123 37.022 38.460 -0.525 0.000 1.152 475 Y HN 0.223 nan 8.280 nan 0.000 0.532 476 G N 1.583 110.399 108.800 0.027 0.000 2.796 476 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.226 476 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.226 476 G C 0.056 175.094 174.900 0.230 0.000 1.381 476 G CA 0.119 45.286 45.100 0.113 0.000 0.867 476 G HN 0.423 nan 8.290 nan 0.000 0.552 477 N N -0.400 118.422 118.700 0.203 0.000 2.236 477 N HA 0.389 5.129 4.740 -0.000 0.000 0.196 477 N C 0.191 175.898 175.510 0.329 0.000 1.114 477 N CA 1.146 54.340 53.050 0.241 0.000 0.859 477 N CB 0.403 38.946 38.487 0.094 0.000 0.982 477 N HN 0.832 nan 8.380 nan 0.000 0.493 478 S N -0.932 114.939 115.700 0.286 0.000 2.536 478 S HA 0.453 4.923 4.470 -0.000 0.000 0.271 478 S C -0.238 174.471 174.600 0.182 0.000 1.134 478 S CA -0.662 57.663 58.200 0.207 0.000 0.897 478 S CB 1.274 64.602 63.200 0.214 0.000 1.094 478 S HN 0.190 nan 8.310 nan 0.000 0.473 479 R N 1.559 122.079 120.500 0.033 0.000 2.565 479 R HA 0.270 4.610 4.340 -0.000 0.000 0.347 479 R C -0.186 176.020 176.300 -0.156 0.000 1.010 479 R CA -0.232 55.803 56.100 -0.109 0.000 1.126 479 R CB 0.302 30.519 30.300 -0.137 0.000 1.331 479 R HN 0.586 nan 8.270 nan 0.000 0.552 480 Q N 1.448 121.196 119.800 -0.087 0.000 2.352 480 Q HA 0.170 4.510 4.340 -0.000 0.000 0.260 480 Q C -2.297 173.645 176.000 -0.096 0.000 0.976 480 Q CA -1.815 53.935 55.803 -0.088 0.000 0.881 480 Q CB 0.791 29.495 28.738 -0.057 0.000 1.235 480 Q HN 0.043 nan 8.270 nan 0.000 0.419 481 P HA -0.032 nan 4.420 nan 0.000 0.262 481 P C 0.580 177.844 177.300 -0.061 0.000 1.182 481 P CA 1.021 64.070 63.100 -0.086 0.000 0.761 481 P CB 0.273 31.931 31.700 -0.069 0.000 0.795 482 G N 1.480 110.247 108.800 -0.055 0.000 2.176 482 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.253 482 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.253 482 G C 0.515 175.389 174.900 -0.042 0.000 0.979 482 G CA 0.247 45.323 45.100 -0.040 0.000 0.641 482 G HN 0.789 nan 8.290 nan 0.000 0.530 483 T N 1.102 115.633 114.554 -0.040 0.000 2.930 483 T HA 0.437 4.787 4.350 -0.000 0.000 0.306 483 T C 1.960 176.628 174.700 -0.053 0.000 1.045 483 T CA 1.358 63.430 62.100 -0.047 0.000 1.134 483 T CB 0.639 69.515 68.868 0.012 0.000 0.961 483 T HN 0.863 nan 8.240 nan 0.000 0.545 484 T N 1.489 115.925 114.554 -0.197 0.000 3.194 484 T HA 0.108 4.458 4.350 -0.000 0.000 0.251 484 T C 0.772 175.424 174.700 -0.080 0.000 1.132 484 T CA 0.549 62.539 62.100 -0.183 0.000 1.028 484 T CB -0.470 68.227 68.868 -0.284 0.000 0.976 484 T HN 0.853 nan 8.240 nan 0.000 0.535 485 H N -0.975 118.161 119.070 0.111 0.000 2.467 485 H HA 0.327 4.883 4.556 -0.000 0.000 0.275 485 H C 0.417 175.853 175.328 0.180 0.000 1.131 485 H CA -0.591 55.529 56.048 0.120 0.000 0.989 485 H CB 0.329 30.156 29.762 0.108 0.000 1.696 485 H HN 0.295 nan 8.280 nan 0.000 0.574 486 Y N 1.050 121.432 120.300 0.137 0.000 2.422 486 Y HA -0.012 4.538 4.550 -0.000 0.000 0.291 486 Y C 2.079 178.033 175.900 0.091 0.000 1.144 486 Y CA 1.100 59.261 58.100 0.101 0.000 1.208 486 Y CB 0.505 39.002 38.460 0.062 0.000 1.195 486 Y HN 0.133 nan 8.280 nan 0.000 0.535 487 S N -0.552 115.177 115.700 0.048 0.000 2.577 487 S HA 0.031 4.501 4.470 -0.000 0.000 0.219 487 S C 0.841 175.440 174.600 -0.003 0.000 0.962 487 S CA 0.227 58.399 58.200 -0.047 0.000 0.921 487 S CB -0.337 62.895 63.200 0.053 0.000 0.789 487 S HN 0.606 nan 8.310 nan 0.000 0.497 488 D N 1.188 121.614 120.400 0.043 0.000 2.340 488 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 488 D C 1.211 177.521 176.300 0.017 0.000 1.039 488 D CA 0.244 54.279 54.000 0.059 0.000 0.866 488 D CB -0.154 40.730 40.800 0.140 0.000 0.913 488 D HN 0.527 nan 8.370 nan 0.000 0.523 489 Q N -0.805 118.977 119.800 -0.030 0.000 2.245 489 Q HA 0.213 4.553 4.340 -0.000 0.000 0.250 489 Q C 1.545 177.489 176.000 -0.093 0.000 0.830 489 Q CA -0.310 55.455 55.803 -0.064 0.000 0.950 489 Q CB 0.591 29.280 28.738 -0.081 0.000 1.124 489 Q HN 0.104 nan 8.270 nan 0.000 0.502 490 I N 1.821 122.336 120.570 -0.091 0.000 2.394 490 I HA -0.217 3.953 4.170 -0.000 0.000 0.251 490 I C 2.289 178.381 176.117 -0.042 0.000 1.136 490 I CA 1.389 62.643 61.300 -0.077 0.000 1.425 490 I CB 0.067 38.031 38.000 -0.060 0.000 1.079 490 I HN 0.158 nan 8.210 nan 0.000 0.425 491 E N 0.855 121.037 120.200 -0.030 0.000 2.077 491 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 491 E C 2.368 178.948 176.600 -0.034 0.000 0.989 491 E CA 1.214 57.603 56.400 -0.018 0.000 0.800 491 E CB -0.087 29.610 29.700 -0.005 0.000 0.746 491 E HN 0.484 nan 8.360 nan 0.000 0.452 492 R N -0.003 120.464 120.500 -0.054 0.000 2.105 492 R HA -0.111 4.229 4.340 -0.000 0.000 0.239 492 R C 2.544 178.762 176.300 -0.137 0.000 1.135 492 R CA 1.359 57.409 56.100 -0.084 0.000 0.967 492 R CB -0.310 29.932 30.300 -0.097 0.000 0.861 492 R HN 0.082 nan 8.270 nan 0.000 0.442 493 V N 1.140 120.965 119.914 -0.147 0.000 2.343 493 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 493 V C 2.448 178.512 176.094 -0.049 0.000 1.051 493 V CA 2.160 64.372 62.300 -0.147 0.000 1.036 493 V CB -0.560 31.214 31.823 -0.082 0.000 0.654 493 V HN 0.488 nan 8.190 nan 0.000 0.451 494 S N 0.340 116.023 115.700 -0.028 0.000 2.442 494 S HA -0.176 4.294 4.470 -0.000 0.000 0.236 494 S C 1.835 176.446 174.600 0.018 0.000 1.007 494 S CA 1.231 59.429 58.200 -0.004 0.000 0.965 494 S CB -0.357 62.842 63.200 -0.002 0.000 0.773 494 S HN 0.654 nan 8.310 nan 0.000 0.504 495 R N 0.492 120.994 120.500 0.002 0.000 2.397 495 R HA 0.507 4.847 4.340 -0.000 0.000 0.241 495 R C 0.777 177.096 176.300 0.032 0.000 0.914 495 R CA 0.382 56.495 56.100 0.021 0.000 1.071 495 R CB 0.174 30.482 30.300 0.012 0.000 1.116 495 R HN 0.435 nan 8.270 nan 0.000 0.524 496 A N 2.267 125.090 122.820 0.005 0.000 2.745 496 A HA -0.203 4.116 4.320 -0.000 0.000 0.296 496 A C -0.253 177.390 177.584 0.099 0.000 1.500 496 A CA 1.138 53.205 52.037 0.049 0.000 0.766 496 A CB -1.594 17.541 19.000 0.226 0.000 1.030 496 A HN 0.390 nan 8.150 nan 0.000 0.489 497 D N -0.159 120.211 120.400 -0.049 0.000 2.500 497 D HA 0.533 5.173 4.640 -0.000 0.000 0.219 497 D C -0.196 176.093 176.300 -0.019 0.000 1.137 497 D CA -0.252 53.761 54.000 0.021 0.000 0.946 497 D CB -0.379 40.420 40.800 -0.001 0.000 1.022 497 D HN 0.230 nan 8.370 nan 0.000 0.518 498 F N 1.840 121.781 119.950 -0.014 0.000 2.429 498 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 498 F C 1.670 177.539 175.800 0.115 0.000 1.109 498 F CA -0.282 57.731 58.000 0.023 0.000 1.232 498 F CB 0.756 39.758 39.000 0.002 0.000 1.157 498 F HN -0.037 nan 8.300 nan 0.000 0.564 499 R N 1.597 122.240 120.500 0.239 0.000 2.438 499 R HA 0.114 4.453 4.340 -0.000 0.000 0.287 499 R C -0.092 176.333 176.300 0.208 0.000 1.077 499 R CA -0.561 55.653 56.100 0.190 0.000 1.034 499 R CB 0.551 30.919 30.300 0.113 0.000 0.993 499 R HN 0.628 nan 8.270 nan 0.000 0.459 500 E N 3.616 123.873 120.200 0.094 0.000 2.324 500 E HA 0.017 4.367 4.350 -0.000 0.000 0.271 500 E C -0.612 175.882 176.600 -0.177 0.000 1.028 500 E CA -0.224 56.022 56.400 -0.257 0.000 0.890 500 E CB 0.571 30.138 29.700 -0.221 0.000 1.004 500 E HN 0.342 nan 8.360 nan 0.000 0.431 501 L N 5.907 126.970 121.223 -0.267 0.000 2.331 501 L HA 0.243 4.583 4.340 -0.000 0.000 0.278 501 L C -0.164 176.541 176.870 -0.275 0.000 1.106 501 L CA -0.441 54.261 54.840 -0.230 0.000 0.824 501 L CB 0.476 42.365 42.059 -0.284 0.000 1.142 501 L HN 0.463 nan 8.230 nan 0.000 0.443 502 L N 5.023 126.142 121.223 -0.172 0.000 2.277 502 L HA 0.225 4.565 4.340 -0.000 0.000 0.284 502 L C 0.325 177.192 176.870 -0.004 0.000 1.028 502 L CA -0.338 54.466 54.840 -0.060 0.000 0.835 502 L CB 1.456 43.538 42.059 0.038 0.000 1.215 502 L HN 0.605 nan 8.230 nan 0.000 0.425 503 L N 2.206 123.402 121.223 -0.046 0.000 2.500 503 L HA 0.260 4.599 4.340 -0.000 0.000 0.219 503 L C 1.123 178.118 176.870 0.209 0.000 1.057 503 L CA 0.534 55.402 54.840 0.047 0.000 0.854 503 L CB -0.024 41.970 42.059 -0.109 0.000 1.078 503 L HN 0.448 nan 8.230 nan 0.000 0.480 504 R N -0.130 120.427 120.500 0.095 0.000 2.441 504 R HA 0.137 4.477 4.340 -0.000 0.000 0.284 504 R C 0.968 177.313 176.300 0.074 0.000 1.070 504 R CA -0.433 55.713 56.100 0.077 0.000 1.047 504 R CB 0.943 31.265 30.300 0.036 0.000 1.016 504 R HN -0.117 nan 8.270 nan 0.000 0.477 505 R N 2.749 123.281 120.500 0.053 0.000 2.105 505 R HA -0.210 4.130 4.340 -0.000 0.000 0.239 505 R C 1.865 178.181 176.300 0.026 0.000 1.135 505 R CA 2.313 58.430 56.100 0.029 0.000 0.967 505 R CB -0.183 30.123 30.300 0.010 0.000 0.861 505 R HN 0.819 nan 8.270 nan 0.000 0.442 506 E N 0.056 120.271 120.200 0.024 0.000 2.106 506 E HA -0.256 4.094 4.350 -0.000 0.000 0.192 506 E C 1.689 178.302 176.600 0.022 0.000 0.984 506 E CA 1.312 57.724 56.400 0.019 0.000 0.806 506 E CB -0.300 29.409 29.700 0.015 0.000 0.750 506 E HN 0.569 nan 8.360 nan 0.000 0.458 507 Q N 0.748 120.564 119.800 0.027 0.000 2.119 507 Q HA -0.077 4.263 4.340 -0.000 0.000 0.201 507 Q C 2.485 178.508 176.000 0.039 0.000 0.972 507 Q CA 1.611 57.430 55.803 0.027 0.000 0.847 507 Q CB 0.041 28.791 28.738 0.020 0.000 0.903 507 Q HN 0.183 nan 8.270 nan 0.000 0.433 508 V N 1.376 121.321 119.914 0.052 0.000 2.358 508 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 508 V C 1.913 178.030 176.094 0.038 0.000 1.047 508 V CA 1.818 64.154 62.300 0.059 0.000 1.035 508 V CB -0.461 31.399 31.823 0.062 0.000 0.658 508 V HN 0.345 nan 8.190 nan 0.000 0.452 509 E N 0.260 120.476 120.200 0.027 0.000 2.150 509 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 509 E C 2.269 178.883 176.600 0.022 0.000 0.985 509 E CA 1.190 57.602 56.400 0.020 0.000 0.814 509 E CB -0.233 29.476 29.700 0.014 0.000 0.752 509 E HN 0.609 nan 8.360 nan 0.000 0.466 510 A N 1.049 123.884 122.820 0.024 0.000 1.968 510 A HA 0.072 4.392 4.320 -0.000 0.000 0.217 510 A C 2.183 179.784 177.584 0.028 0.000 1.169 510 A CA 1.283 53.334 52.037 0.024 0.000 0.638 510 A CB -0.062 18.951 19.000 0.022 0.000 0.812 510 A HN 0.239 nan 8.150 nan 0.000 0.446 511 A N -0.904 121.935 122.820 0.033 0.000 2.308 511 A HA 0.447 4.767 4.320 -0.000 0.000 0.217 511 A C 0.863 178.469 177.584 0.038 0.000 1.216 511 A CA 0.181 52.240 52.037 0.037 0.000 0.864 511 A CB -0.440 18.585 19.000 0.042 0.000 0.902 511 A HN 0.488 nan 8.150 nan 0.000 0.499 512 V N 0.749 120.684 119.914 0.035 0.000 2.585 512 V HA 0.067 4.187 4.120 -0.000 0.000 0.296 512 V C 0.624 176.741 176.094 0.039 0.000 1.035 512 V CA 0.509 62.831 62.300 0.036 0.000 1.084 512 V CB 0.994 32.835 31.823 0.031 0.000 0.953 512 V HN 0.588 nan 8.190 nan 0.000 0.483 513 Q N 4.243 124.070 119.800 0.046 0.000 2.280 513 Q HA 0.369 4.709 4.340 -0.000 0.000 0.244 513 Q C 0.214 176.248 176.000 0.057 0.000 0.847 513 Q CA 0.252 56.087 55.803 0.054 0.000 0.945 513 Q CB 1.169 29.948 28.738 0.069 0.000 1.115 513 Q HN 0.898 nan 8.270 nan 0.000 0.513 514 E N 0.178 120.411 120.200 0.056 0.000 2.352 514 E HA 0.448 4.798 4.350 -0.000 0.000 0.280 514 E C -1.468 175.164 176.600 0.052 0.000 0.930 514 E CA -0.433 56.001 56.400 0.057 0.000 0.765 514 E CB 2.169 31.912 29.700 0.071 0.000 1.219 514 E HN -0.109 nan 8.360 nan 0.000 0.434 515 R N 2.065 122.595 120.500 0.050 0.000 2.513 515 R HA 0.441 4.781 4.340 -0.000 0.000 0.301 515 R C -1.486 174.852 176.300 0.064 0.000 0.968 515 R CA -0.317 55.814 56.100 0.052 0.000 0.872 515 R CB 1.772 32.094 30.300 0.037 0.000 1.177 515 R HN 0.403 nan 8.270 nan 0.000 0.444 516 T N 6.671 121.279 114.554 0.091 0.000 3.053 516 T HA 0.288 4.638 4.350 -0.000 0.000 0.363 516 T C -2.272 172.532 174.700 0.173 0.000 1.239 516 T CA -1.218 60.955 62.100 0.121 0.000 1.071 516 T CB 0.988 69.933 68.868 0.129 0.000 1.089 516 T HN 0.489 nan 8.240 nan 0.000 0.527 517 P HA 0.302 nan 4.420 nan 0.000 0.265 517 P C -0.728 176.665 177.300 0.155 0.000 1.193 517 P CA -0.271 62.858 63.100 0.050 0.000 0.765 517 P CB 0.321 32.026 31.700 0.009 0.000 0.823 518 F N 0.031 119.992 119.950 0.019 0.000 2.650 518 F HA 0.716 5.243 4.527 -0.000 0.000 0.320 518 F C -0.877 174.950 175.800 0.045 0.000 1.091 518 F CA -1.104 56.914 58.000 0.031 0.000 0.962 518 F CB 1.837 40.854 39.000 0.029 0.000 1.363 518 F HN 0.369 nan 8.300 nan 0.000 0.482 519 N N 0.649 119.497 118.700 0.248 0.000 2.405 519 N HA 0.311 5.051 4.740 -0.000 0.000 0.274 519 N C -2.419 173.298 175.510 0.346 0.000 1.170 519 N CA -0.514 52.650 53.050 0.190 0.000 0.848 519 N CB 2.330 40.838 38.487 0.035 0.000 1.629 519 N HN 0.933 nan 8.380 nan 0.000 0.481 520 F N 1.169 121.212 119.950 0.155 0.000 2.375 520 F HA 0.480 5.007 4.527 -0.000 0.000 0.361 520 F C -0.611 175.229 175.800 0.067 0.000 1.117 520 F CA -0.769 57.306 58.000 0.124 0.000 1.037 520 F CB 0.973 40.064 39.000 0.151 0.000 1.192 520 F HN 0.351 nan 8.300 nan 0.000 0.452 521 K N 7.614 127.850 120.400 -0.272 0.000 2.357 521 K HA 0.342 4.661 4.320 -0.000 0.000 0.251 521 K C -2.042 174.226 176.600 -0.553 0.000 1.069 521 K CA -1.592 54.479 56.287 -0.360 0.000 0.994 521 K CB 0.551 32.969 32.500 -0.138 0.000 1.411 521 K HN 0.449 nan 8.250 nan 0.000 0.450 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.770 63.100 -0.551 0.000 0.800 522 P CB 0.000 31.453 31.700 -0.412 0.000 0.726