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 3oce_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTRREQDSLG ERDIPMDAYF GIQTLRAVEN FSLSDVALNH IPALVRALAM DATA SEQUENCE VKKAAATANY KLRQLPEPKY AAIVAACDDI IDGLLMEQFV VDVFQGGAGT DATA SEQUENCE SSNMNANEVI ANRALEHLGR PRGDYQTIHP NDDVNMSQST NDVYPTAVRL DATA SEQUENCE ALLLSQNQVQ TALHRLIAAF EAKGREFATV IKIGRTQLQD AVPITLGQEF DATA SEQUENCE EAFAATLRED TARLEEVAAL FREVNLGGTA IGTRINASHA YAEQAIVELS DATA SEQUENCE QISGIELKAT GNLVEASWDT GAFVTFSGIL RRIAVKLSKI ANDLRLLSSG DATA SEQUENCE PRSGLGEIRL PAVQPGSSIM PGKVNPVIPE SVNQVCYQVI GNDLTVTMAA DATA SEQUENCE ESGQLQLNAF EPLIVYNILS SMRLLGRAMT NLAERCVDGI EANVERCRAG DATA SEQUENCE AEESISLATA LVPVVGYARA AEIAKQALAS GQTVMEVAIS KGLDASALTI DATA SEQUENCE MLDPLRMAFP 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.274 176.300 -0.043 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.576 32.600 -0.040 0.000 1.302 2 T N -0.471 114.058 114.554 -0.042 0.000 2.907 2 T HA 0.997 5.372 4.350 0.041 0.000 0.290 2 T C -0.076 174.591 174.700 -0.054 0.000 1.066 2 T CA -0.436 61.635 62.100 -0.048 0.000 1.012 2 T CB 1.762 70.612 68.868 -0.030 0.000 1.184 2 T HN 1.679 nan 8.240 nan 0.000 0.522 3 R N -0.283 120.181 120.500 -0.060 0.000 2.923 3 R HA 0.852 5.217 4.340 0.041 0.000 0.252 3 R C -0.899 175.382 176.300 -0.032 0.000 1.130 3 R CA -1.282 54.784 56.100 -0.057 0.000 1.043 3 R CB 1.037 31.286 30.300 -0.085 0.000 1.205 3 R HN 0.518 nan 8.270 nan 0.000 0.495 4 R N 0.723 121.208 120.500 -0.024 0.000 2.360 4 R HA 0.298 4.663 4.340 0.041 0.000 0.318 4 R C -1.249 175.062 176.300 0.020 0.000 0.950 4 R CA -0.216 55.883 56.100 -0.002 0.000 0.837 4 R CB 1.286 31.583 30.300 -0.004 0.000 1.165 4 R HN 0.787 nan 8.270 nan 0.000 0.458 5 E N 1.937 122.163 120.200 0.042 0.000 2.263 5 E HA 0.555 4.930 4.350 0.041 0.000 0.264 5 E C -0.909 175.731 176.600 0.067 0.000 0.923 5 E CA -0.871 55.579 56.400 0.084 0.000 0.802 5 E CB 1.897 31.672 29.700 0.125 0.000 1.228 5 E HN 0.609 nan 8.360 nan 0.000 0.417 6 Q N 1.700 121.549 119.800 0.080 0.000 2.356 6 Q HA 0.501 4.866 4.340 0.041 0.000 0.270 6 Q C -1.186 174.842 176.000 0.047 0.000 1.058 6 Q CA -0.944 54.893 55.803 0.057 0.000 0.802 6 Q CB 1.571 30.343 28.738 0.057 0.000 1.303 6 Q HN 0.606 nan 8.270 nan 0.000 0.444 7 D N -1.380 119.038 120.400 0.030 0.000 2.714 7 D HA 0.391 5.056 4.640 0.041 0.000 0.278 7 D C 1.051 177.364 176.300 0.021 0.000 1.102 7 D CA 0.260 54.273 54.000 0.022 0.000 1.108 7 D CB 0.674 41.477 40.800 0.005 0.000 1.444 7 D HN 0.626 nan 8.370 nan 0.000 0.568 8 S N -0.942 114.769 115.700 0.018 0.000 2.493 8 S HA -0.127 4.368 4.470 0.041 0.000 0.243 8 S C 1.537 176.143 174.600 0.009 0.000 0.991 8 S CA 0.652 58.861 58.200 0.015 0.000 0.957 8 S CB -0.709 62.499 63.200 0.013 0.000 0.756 8 S HN 0.515 nan 8.310 nan 0.000 0.521 9 L N 0.481 121.708 121.223 0.007 0.000 2.529 9 L HA 0.424 4.789 4.340 0.041 0.000 0.223 9 L C 1.460 178.333 176.870 0.004 0.000 1.113 9 L CA 0.245 55.086 54.840 0.003 0.000 0.861 9 L CB -0.485 41.572 42.059 -0.003 0.000 1.012 9 L HN 0.647 nan 8.230 nan 0.000 0.461 10 G N 0.222 109.027 108.800 0.009 0.000 2.293 10 G HA2 -0.066 3.918 3.960 0.041 0.000 0.282 10 G HA3 -0.066 3.918 3.960 0.041 0.000 0.282 10 G C -1.347 173.562 174.900 0.015 0.000 1.299 10 G CA -0.854 44.252 45.100 0.011 0.000 1.018 10 G HN 0.055 nan 8.290 nan 0.000 0.478 11 E N 0.347 120.555 120.200 0.014 0.000 2.204 11 E HA 0.723 5.098 4.350 0.041 0.000 0.276 11 E C -0.116 176.493 176.600 0.015 0.000 0.974 11 E CA -0.769 55.641 56.400 0.017 0.000 0.815 11 E CB 1.453 31.162 29.700 0.015 0.000 1.119 11 E HN 0.415 nan 8.360 nan 0.000 0.393 12 R N 1.528 122.040 120.500 0.020 0.000 2.774 12 R HA 0.360 4.725 4.340 0.041 0.000 0.272 12 R C -1.257 175.054 176.300 0.019 0.000 1.000 12 R CA -0.880 55.231 56.100 0.019 0.000 0.906 12 R CB 1.297 31.610 30.300 0.023 0.000 1.227 12 R HN 0.522 nan 8.270 nan 0.000 0.468 13 D N 2.134 122.543 120.400 0.015 0.000 2.317 13 D HA 0.320 4.985 4.640 0.041 0.000 0.234 13 D C 0.117 176.426 176.300 0.015 0.000 1.112 13 D CA -0.201 53.803 54.000 0.008 0.000 0.840 13 D CB 1.393 42.194 40.800 0.001 0.000 1.078 13 D HN 0.165 nan 8.370 nan 0.000 0.486 14 I N 3.059 123.630 120.570 0.001 0.000 2.377 14 I HA 0.259 4.454 4.170 0.041 0.000 0.293 14 I C -2.221 173.857 176.117 -0.065 0.000 0.987 14 I CA -2.850 58.444 61.300 -0.010 0.000 1.185 14 I CB 0.926 38.912 38.000 -0.024 0.000 1.341 14 I HN -0.106 nan 8.210 nan 0.000 0.455 15 P HA 0.019 nan 4.420 nan 0.000 0.261 15 P C 0.940 178.138 177.300 -0.169 0.000 1.173 15 P CA 0.153 63.189 63.100 -0.106 0.000 0.760 15 P CB 0.538 32.179 31.700 -0.098 0.000 0.783 16 M N 4.895 124.415 119.600 -0.133 0.000 2.082 16 M HA -0.226 4.279 4.480 0.041 0.000 0.258 16 M C 1.497 177.672 176.300 -0.208 0.000 1.069 16 M CA 2.776 57.985 55.300 -0.151 0.000 1.102 16 M CB -1.225 31.309 32.600 -0.110 0.000 1.336 16 M HN 0.371 nan 8.290 nan 0.000 0.404 17 D N -0.174 120.111 120.400 -0.193 0.000 2.413 17 D HA 0.586 5.251 4.640 0.041 0.000 0.237 17 D C 0.317 176.448 176.300 -0.283 0.000 1.171 17 D CA 0.430 54.299 54.000 -0.217 0.000 0.839 17 D CB -0.714 40.015 40.800 -0.118 0.000 0.950 17 D HN 0.714 nan 8.370 nan 0.000 0.499 18 A N -0.688 121.891 122.820 -0.402 0.000 2.292 18 A HA 0.617 4.962 4.320 0.041 0.000 0.319 18 A C 0.254 177.515 177.584 -0.539 0.000 1.206 18 A CA -0.464 51.223 52.037 -0.583 0.000 0.835 18 A CB 0.602 18.927 19.000 -1.125 0.000 1.164 18 A HN 0.397 nan 8.150 nan 0.000 0.505 19 Y N 1.662 121.763 120.300 -0.332 0.000 2.519 19 Y HA 0.071 4.645 4.550 0.041 0.000 0.287 19 Y C 0.832 176.655 175.900 -0.128 0.000 1.128 19 Y CA 0.470 58.468 58.100 -0.171 0.000 1.282 19 Y CB -0.256 38.155 38.460 -0.082 0.000 1.027 19 Y HN 0.746 nan 8.280 nan 0.000 0.551 20 F N -0.499 119.474 119.950 0.038 0.000 2.375 20 F HA 0.712 5.265 4.527 0.044 0.000 0.313 20 F C 0.727 176.531 175.800 0.007 0.000 1.176 20 F CA -1.220 56.764 58.000 -0.026 0.000 1.142 20 F CB -0.038 38.913 39.000 -0.083 0.000 1.275 20 F HN -0.143 nan 8.300 nan 0.000 0.544 21 G N -0.069 108.914 108.800 0.305 0.000 3.209 21 G HA2 0.372 4.357 3.960 0.041 0.000 0.236 21 G HA3 0.372 4.357 3.960 0.041 0.000 0.236 21 G C 0.102 175.112 174.900 0.183 0.000 1.329 21 G CA -0.583 44.624 45.100 0.178 0.000 1.015 21 G HN 0.973 nan 8.290 nan 0.000 0.571 22 I N -0.275 120.350 120.570 0.091 0.000 2.286 22 I HA -0.162 4.033 4.170 0.041 0.000 0.248 22 I C 2.624 178.763 176.117 0.037 0.000 1.115 22 I CA 1.364 62.705 61.300 0.067 0.000 1.392 22 I CB 0.015 38.040 38.000 0.042 0.000 1.065 22 I HN 0.536 nan 8.210 nan 0.000 0.418 23 Q N -0.497 119.308 119.800 0.008 0.000 2.172 23 Q HA -0.133 4.232 4.340 0.041 0.000 0.200 23 Q C 1.959 177.955 176.000 -0.006 0.000 0.964 23 Q CA 1.869 57.667 55.803 -0.007 0.000 0.855 23 Q CB -0.103 28.619 28.738 -0.027 0.000 0.918 23 Q HN 0.476 nan 8.270 nan 0.000 0.444 24 T N 1.472 116.028 114.554 0.003 0.000 2.896 24 T HA -0.076 4.299 4.350 0.041 0.000 0.263 24 T C 1.753 176.371 174.700 -0.137 0.000 1.050 24 T CA 0.529 62.583 62.100 -0.077 0.000 1.140 24 T CB -0.138 68.661 68.868 -0.115 0.000 0.877 24 T HN 0.090 nan 8.240 nan 0.000 0.457 25 L N 1.714 122.927 121.223 -0.017 0.000 1.989 25 L HA -0.056 4.309 4.340 0.041 0.000 0.211 25 L C 2.461 179.299 176.870 -0.054 0.000 1.071 25 L CA 1.755 56.589 54.840 -0.010 0.000 0.749 25 L CB -0.480 41.652 42.059 0.121 0.000 0.890 25 L HN 0.072 nan 8.230 nan 0.000 0.431 26 R N -0.534 119.941 120.500 -0.042 0.000 2.096 26 R HA -0.183 4.182 4.340 0.041 0.000 0.240 26 R C 2.235 178.447 176.300 -0.146 0.000 1.139 26 R CA 1.460 57.512 56.100 -0.079 0.000 0.952 26 R CB -0.854 29.411 30.300 -0.058 0.000 0.854 26 R HN 0.554 nan 8.270 nan 0.000 0.436 27 A N 0.827 123.588 122.820 -0.098 0.000 1.908 27 A HA -0.145 4.200 4.320 0.041 0.000 0.218 27 A C 2.416 179.938 177.584 -0.103 0.000 1.181 27 A CA 1.637 53.637 52.037 -0.062 0.000 0.627 27 A CB -0.620 18.445 19.000 0.109 0.000 0.818 27 A HN 0.132 nan 8.150 nan 0.000 0.445 28 V N 0.059 119.906 119.914 -0.110 0.000 2.255 28 V HA -0.306 3.839 4.120 0.041 0.000 0.247 28 V C 2.400 178.426 176.094 -0.113 0.000 1.051 28 V CA 2.433 64.670 62.300 -0.104 0.000 1.018 28 V CB -0.952 30.776 31.823 -0.158 0.000 0.641 28 V HN 0.671 nan 8.190 nan 0.000 0.445 29 E N 0.193 120.311 120.200 -0.137 0.000 2.153 29 E HA -0.198 4.177 4.350 0.041 0.000 0.194 29 E C 2.064 178.526 176.600 -0.230 0.000 0.988 29 E CA 1.254 57.569 56.400 -0.142 0.000 0.811 29 E CB -0.210 29.421 29.700 -0.115 0.000 0.746 29 E HN 0.572 nan 8.360 nan 0.000 0.466 30 N N -0.046 118.398 118.700 -0.426 0.000 2.216 30 N HA -0.068 4.697 4.740 0.041 0.000 0.183 30 N C 0.227 175.291 175.510 -0.744 0.000 1.017 30 N CA 0.918 53.522 53.050 -0.742 0.000 0.861 30 N CB 0.179 37.896 38.487 -1.283 0.000 0.986 30 N HN 0.117 nan 8.380 nan 0.000 0.428 31 F N -0.348 119.589 119.950 -0.021 0.000 2.761 31 F HA 0.307 4.860 4.527 0.045 0.000 0.367 31 F C 0.473 176.264 175.800 -0.014 0.000 1.386 31 F CA -0.966 57.029 58.000 -0.009 0.000 1.177 31 F CB 0.025 39.027 39.000 0.003 0.000 1.092 31 F HN -0.282 nan 8.300 nan 0.000 0.517 32 S N 1.632 117.363 115.700 0.051 0.000 2.700 32 S HA 0.424 4.919 4.470 0.041 0.000 0.321 32 S C 0.679 175.288 174.600 0.014 0.000 1.161 32 S CA -0.064 58.150 58.200 0.024 0.000 1.078 32 S CB -0.088 63.103 63.200 -0.015 0.000 1.302 32 S HN 0.571 nan 8.310 nan 0.000 0.540 33 L N 3.801 125.033 121.223 0.015 0.000 2.758 33 L HA 0.239 4.603 4.340 0.041 0.000 0.234 33 L C 1.969 178.765 176.870 -0.123 0.000 1.049 33 L CA 0.401 55.207 54.840 -0.057 0.000 0.908 33 L CB -0.026 41.994 42.059 -0.065 0.000 1.362 33 L HN 0.699 nan 8.230 nan 0.000 0.499 34 S N -3.503 112.150 115.700 -0.079 0.000 2.649 34 S HA 0.103 4.598 4.470 0.041 0.000 0.246 34 S C 0.463 175.030 174.600 -0.055 0.000 1.057 34 S CA 0.168 58.309 58.200 -0.099 0.000 1.051 34 S CB 0.601 63.772 63.200 -0.049 0.000 1.018 34 S HN 0.251 nan 8.310 nan 0.000 0.569 35 D N 0.311 120.688 120.400 -0.039 0.000 2.978 35 D HA -0.113 4.552 4.640 0.041 0.000 0.205 35 D C -0.536 175.697 176.300 -0.112 0.000 1.093 35 D CA 1.062 55.037 54.000 -0.043 0.000 1.006 35 D CB -1.643 39.139 40.800 -0.031 0.000 1.116 35 D HN 0.468 nan 8.370 nan 0.000 0.419 36 V N 0.426 120.253 119.914 -0.146 0.000 2.333 36 V HA 0.704 4.849 4.120 0.041 0.000 0.274 36 V C 0.733 176.732 176.094 -0.158 0.000 1.028 36 V CA -0.194 61.913 62.300 -0.322 0.000 0.851 36 V CB 1.500 33.170 31.823 -0.254 0.000 1.000 36 V HN 0.289 nan 8.190 nan 0.000 0.456 37 A N 3.737 126.545 122.820 -0.019 0.000 2.269 37 A HA 0.690 5.035 4.320 0.041 0.000 0.327 37 A C 0.903 178.584 177.584 0.162 0.000 1.112 37 A CA -0.604 51.498 52.037 0.109 0.000 0.865 37 A CB 0.723 19.819 19.000 0.160 0.000 1.227 37 A HN 0.702 nan 8.150 nan 0.000 0.498 38 L N 1.002 122.303 121.223 0.130 0.000 2.064 38 L HA -0.271 4.094 4.340 0.041 0.000 0.216 38 L C 2.045 178.999 176.870 0.140 0.000 1.077 38 L CA 2.959 57.881 54.840 0.137 0.000 0.766 38 L CB -1.150 41.020 42.059 0.184 0.000 0.890 38 L HN 0.950 nan 8.230 nan 0.000 0.435 39 N N -2.507 116.297 118.700 0.174 0.000 2.519 39 N HA -0.211 4.554 4.740 0.041 0.000 0.186 39 N C 1.561 177.091 175.510 0.034 0.000 1.062 39 N CA 1.481 54.584 53.050 0.088 0.000 0.910 39 N CB -0.892 37.651 38.487 0.093 0.000 0.958 39 N HN 0.563 nan 8.380 nan 0.000 0.445 40 H N -0.152 118.954 119.070 0.060 0.000 2.551 40 H HA 0.181 4.762 4.556 0.042 0.000 0.266 40 H C 0.232 175.605 175.328 0.075 0.000 0.977 40 H CA 0.494 56.586 56.048 0.073 0.000 1.163 40 H CB 0.470 30.293 29.762 0.101 0.000 1.381 40 H HN 0.434 nan 8.280 nan 0.000 0.581 41 I N -1.113 119.547 120.570 0.150 0.000 2.833 41 I HA 0.265 4.460 4.170 0.041 0.000 0.286 41 I C -2.309 173.806 176.117 -0.003 0.000 1.287 41 I CA -2.098 59.248 61.300 0.077 0.000 1.046 41 I CB 1.627 39.686 38.000 0.098 0.000 1.612 41 I HN -0.272 nan 8.210 nan 0.000 0.585 42 P HA -0.165 nan 4.420 nan 0.000 0.220 42 P C 1.642 178.880 177.300 -0.104 0.000 1.148 42 P CA 1.602 64.651 63.100 -0.084 0.000 0.803 42 P CB 0.408 32.065 31.700 -0.071 0.000 0.782 43 A N 0.037 122.813 122.820 -0.074 0.000 1.978 43 A HA -0.181 4.164 4.320 0.041 0.000 0.220 43 A C 2.204 179.722 177.584 -0.109 0.000 1.170 43 A CA 1.516 53.503 52.037 -0.083 0.000 0.636 43 A CB -1.582 17.380 19.000 -0.064 0.000 0.810 43 A HN 0.200 nan 8.150 nan 0.000 0.448 44 L N -0.302 120.856 121.223 -0.108 0.000 2.109 44 L HA -0.065 4.300 4.340 0.041 0.000 0.207 44 L C 2.375 179.152 176.870 -0.155 0.000 1.086 44 L CA 1.576 56.341 54.840 -0.124 0.000 0.760 44 L CB -0.348 41.657 42.059 -0.089 0.000 0.910 44 L HN 0.160 nan 8.230 nan 0.000 0.437 45 V N 0.030 119.806 119.914 -0.230 0.000 2.255 45 V HA -0.322 3.823 4.120 0.041 0.000 0.247 45 V C 2.672 178.575 176.094 -0.318 0.000 1.051 45 V CA 2.269 64.305 62.300 -0.439 0.000 1.018 45 V CB -0.786 30.627 31.823 -0.684 0.000 0.641 45 V HN 0.450 nan 8.190 nan 0.000 0.445 46 R N 0.301 120.667 120.500 -0.222 0.000 2.091 46 R HA -0.135 4.230 4.340 0.041 0.000 0.238 46 R C 2.447 178.679 176.300 -0.113 0.000 1.136 46 R CA 1.522 57.534 56.100 -0.148 0.000 0.959 46 R CB -0.675 29.559 30.300 -0.110 0.000 0.856 46 R HN 0.552 nan 8.270 nan 0.000 0.437 47 A N 1.403 124.155 122.820 -0.114 0.000 1.877 47 A HA -0.124 4.220 4.320 0.041 0.000 0.216 47 A C 2.223 179.761 177.584 -0.076 0.000 1.186 47 A CA 1.091 53.071 52.037 -0.095 0.000 0.620 47 A CB -0.597 18.334 19.000 -0.116 0.000 0.822 47 A HN 0.167 nan 8.150 nan 0.000 0.443 48 L N -0.580 120.596 121.223 -0.079 0.000 2.013 48 L HA -0.285 4.079 4.340 0.041 0.000 0.212 48 L C 3.113 179.984 176.870 0.001 0.000 1.073 48 L CA 1.350 56.178 54.840 -0.019 0.000 0.753 48 L CB -0.544 41.528 42.059 0.022 0.000 0.890 48 L HN 0.456 nan 8.230 nan 0.000 0.432 49 A N -0.496 122.308 122.820 -0.026 0.000 1.940 49 A HA -0.259 4.086 4.320 0.041 0.000 0.219 49 A C 2.293 179.872 177.584 -0.008 0.000 1.176 49 A CA 2.010 54.045 52.037 -0.003 0.000 0.631 49 A CB -0.504 18.481 19.000 -0.024 0.000 0.814 49 A HN 0.397 nan 8.150 nan 0.000 0.446 50 M N -0.919 118.666 119.600 -0.026 0.000 2.117 50 M HA -0.121 4.384 4.480 0.041 0.000 0.262 50 M C 2.077 178.373 176.300 -0.007 0.000 1.065 50 M CA 1.342 56.629 55.300 -0.022 0.000 1.114 50 M CB -0.414 32.166 32.600 -0.033 0.000 1.361 50 M HN 0.259 nan 8.290 nan 0.000 0.408 51 V N 0.320 120.232 119.914 -0.003 0.000 2.379 51 V HA -0.206 3.938 4.120 0.041 0.000 0.245 51 V C 2.367 178.486 176.094 0.041 0.000 1.044 51 V CA 1.395 63.703 62.300 0.012 0.000 1.036 51 V CB -0.655 31.174 31.823 0.010 0.000 0.664 51 V HN 0.357 nan 8.190 nan 0.000 0.453 52 K N 0.498 120.927 120.400 0.048 0.000 2.097 52 K HA -0.190 4.155 4.320 0.041 0.000 0.206 52 K C 2.076 178.712 176.600 0.061 0.000 1.049 52 K CA 1.365 57.694 56.287 0.068 0.000 0.933 52 K CB -0.362 32.181 32.500 0.073 0.000 0.717 52 K HN 0.412 nan 8.250 nan 0.000 0.442 53 K N 0.782 121.201 120.400 0.032 0.000 2.026 53 K HA -0.084 4.261 4.320 0.041 0.000 0.208 53 K C 2.116 178.750 176.600 0.056 0.000 1.048 53 K CA 1.240 57.539 56.287 0.021 0.000 0.929 53 K CB -0.108 32.386 32.500 -0.010 0.000 0.713 53 K HN 0.089 nan 8.250 nan 0.000 0.439 54 A N 1.026 123.870 122.820 0.040 0.000 1.883 54 A HA -0.170 4.175 4.320 0.041 0.000 0.217 54 A C 2.325 179.938 177.584 0.049 0.000 1.186 54 A CA 2.100 54.155 52.037 0.030 0.000 0.624 54 A CB -0.929 18.065 19.000 -0.010 0.000 0.822 54 A HN 0.486 nan 8.150 nan 0.000 0.444 55 A N -0.277 122.597 122.820 0.090 0.000 1.877 55 A HA 0.174 4.519 4.320 0.041 0.000 0.216 55 A C 2.530 180.264 177.584 0.250 0.000 1.186 55 A CA 2.140 54.295 52.037 0.196 0.000 0.620 55 A CB -1.078 18.074 19.000 0.253 0.000 0.822 55 A HN 1.107 nan 8.150 nan 0.000 0.443 56 A N -0.811 122.134 122.820 0.209 0.000 1.908 56 A HA -0.101 4.244 4.320 0.041 0.000 0.218 56 A C 2.318 180.141 177.584 0.397 0.000 1.181 56 A CA 2.399 54.595 52.037 0.265 0.000 0.627 56 A CB -1.308 17.801 19.000 0.182 0.000 0.818 56 A HN 0.456 nan 8.150 nan 0.000 0.445 57 T N 0.415 115.190 114.554 0.369 0.000 2.674 57 T HA -0.019 4.356 4.350 0.041 0.000 0.265 57 T C 2.278 177.105 174.700 0.213 0.000 1.039 57 T CA 1.726 64.064 62.100 0.398 0.000 1.150 57 T CB -0.611 68.439 68.868 0.302 0.000 0.864 57 T HN 0.609 nan 8.240 nan 0.000 0.427 58 A N 2.509 125.407 122.820 0.130 0.000 1.908 58 A HA -0.205 4.140 4.320 0.041 0.000 0.218 58 A C 2.295 179.984 177.584 0.176 0.000 1.181 58 A CA 1.662 53.739 52.037 0.068 0.000 0.627 58 A CB -0.761 18.163 19.000 -0.127 0.000 0.818 58 A HN 0.387 nan 8.150 nan 0.000 0.445 59 N N -1.461 117.408 118.700 0.282 0.000 2.120 59 N HA -0.185 4.580 4.740 0.041 0.000 0.188 59 N C 1.617 177.232 175.510 0.175 0.000 1.024 59 N CA 1.766 54.968 53.050 0.253 0.000 0.852 59 N CB -0.585 38.051 38.487 0.249 0.000 1.003 59 N HN 0.660 nan 8.380 nan 0.000 0.424 60 Y N 2.109 122.432 120.300 0.037 0.000 2.145 60 Y HA -0.132 4.443 4.550 0.041 0.000 0.286 60 Y C 1.982 177.802 175.900 -0.134 0.000 1.145 60 Y CA 1.674 59.700 58.100 -0.125 0.000 1.148 60 Y CB -0.202 37.943 38.460 -0.525 0.000 0.981 60 Y HN -0.048 nan 8.280 nan 0.000 0.507 61 K N -0.135 120.093 120.400 -0.287 0.000 2.283 61 K HA -0.047 4.298 4.320 0.041 0.000 0.202 61 K C 1.648 178.118 176.600 -0.216 0.000 1.048 61 K CA 1.175 57.257 56.287 -0.342 0.000 0.948 61 K CB -0.135 32.272 32.500 -0.155 0.000 0.742 61 K HN 0.365 nan 8.250 nan 0.000 0.458 62 L N 0.257 121.419 121.223 -0.101 0.000 2.592 62 L HA 0.155 4.520 4.340 0.041 0.000 0.227 62 L C -0.004 176.833 176.870 -0.056 0.000 1.127 62 L CA 0.038 54.851 54.840 -0.045 0.000 0.884 62 L CB -0.038 42.045 42.059 0.040 0.000 1.065 62 L HN 0.161 nan 8.230 nan 0.000 0.457 63 R N -0.812 119.624 120.500 -0.107 0.000 3.872 63 R HA -0.226 4.139 4.340 0.041 0.000 0.341 63 R C 1.048 177.343 176.300 -0.009 0.000 1.172 63 R CA 0.463 56.513 56.100 -0.083 0.000 0.901 63 R CB -1.898 28.352 30.300 -0.083 0.000 1.422 63 R HN 0.387 nan 8.270 nan 0.000 0.523 64 Q N -0.090 119.724 119.800 0.023 0.000 2.408 64 Q HA 0.203 4.568 4.340 0.041 0.000 0.205 64 Q C -0.053 175.991 176.000 0.074 0.000 0.919 64 Q CA 0.536 56.363 55.803 0.041 0.000 0.932 64 Q CB 0.494 29.253 28.738 0.036 0.000 1.058 64 Q HN 0.238 nan 8.270 nan 0.000 0.517 65 L N 1.171 122.464 121.223 0.117 0.000 2.410 65 L HA 0.502 4.867 4.340 0.041 0.000 0.270 65 L C -2.691 174.314 176.870 0.225 0.000 0.983 65 L CA -2.399 52.543 54.840 0.171 0.000 0.822 65 L CB 1.667 43.861 42.059 0.225 0.000 1.285 65 L HN -0.175 nan 8.230 nan 0.000 0.409 66 P HA 0.129 nan 4.420 nan 0.000 0.274 66 P C 0.076 177.509 177.300 0.222 0.000 1.231 66 P CA -0.195 63.020 63.100 0.191 0.000 0.790 66 P CB 0.914 32.688 31.700 0.123 0.000 0.951 67 E N 2.143 122.481 120.200 0.229 0.000 2.085 67 E HA -0.168 4.207 4.350 0.041 0.000 0.194 67 E C -0.942 175.700 176.600 0.071 0.000 0.994 67 E CA 1.985 58.442 56.400 0.094 0.000 0.801 67 E CB -1.537 28.244 29.700 0.136 0.000 0.743 67 E HN 0.345 nan 8.360 nan 0.000 0.453 68 P HA -0.135 nan 4.420 nan 0.000 0.215 68 P C 1.087 178.417 177.300 0.049 0.000 1.153 68 P CA 1.595 64.727 63.100 0.054 0.000 0.853 68 P CB -0.055 31.678 31.700 0.056 0.000 0.788 69 K N -1.538 118.909 120.400 0.078 0.000 2.057 69 K HA -0.177 4.168 4.320 0.041 0.000 0.206 69 K C 2.305 178.945 176.600 0.067 0.000 1.050 69 K CA 1.305 57.639 56.287 0.079 0.000 0.935 69 K CB -0.834 31.729 32.500 0.105 0.000 0.715 69 K HN 0.149 nan 8.250 nan 0.000 0.439 70 Y N 1.622 121.892 120.300 -0.050 0.000 2.151 70 Y HA -0.292 4.283 4.550 0.041 0.000 0.284 70 Y C 2.116 177.931 175.900 -0.142 0.000 1.166 70 Y CA 1.664 59.695 58.100 -0.116 0.000 1.163 70 Y CB -0.350 37.910 38.460 -0.334 0.000 0.974 70 Y HN 0.026 nan 8.280 nan 0.000 0.511 71 A N 0.234 122.862 122.820 -0.321 0.000 2.016 71 A HA 0.148 4.493 4.320 0.041 0.000 0.217 71 A C 2.338 179.746 177.584 -0.293 0.000 1.162 71 A CA 1.159 52.943 52.037 -0.421 0.000 0.662 71 A CB -1.221 17.681 19.000 -0.163 0.000 0.812 71 A HN 0.623 nan 8.150 nan 0.000 0.450 72 A N 0.264 122.989 122.820 -0.158 0.000 1.872 72 A HA 0.017 4.362 4.320 0.041 0.000 0.214 72 A C 2.052 179.565 177.584 -0.118 0.000 1.187 72 A CA 1.297 53.277 52.037 -0.095 0.000 0.614 72 A CB -0.565 18.435 19.000 0.001 0.000 0.826 72 A HN 0.444 nan 8.150 nan 0.000 0.442 73 I N -0.521 119.985 120.570 -0.107 0.000 2.163 73 I HA -0.236 3.959 4.170 0.041 0.000 0.243 73 I C 2.353 178.374 176.117 -0.159 0.000 1.085 73 I CA 1.232 62.482 61.300 -0.085 0.000 1.347 73 I CB -0.418 37.565 38.000 -0.028 0.000 1.044 73 I HN 0.144 nan 8.210 nan 0.000 0.408 74 V N 0.913 120.642 119.914 -0.308 0.000 2.392 74 V HA -0.320 3.825 4.120 0.041 0.000 0.249 74 V C 2.618 178.550 176.094 -0.270 0.000 1.059 74 V CA 2.107 64.205 62.300 -0.336 0.000 1.051 74 V CB -0.762 30.694 31.823 -0.612 0.000 0.658 74 V HN 0.518 nan 8.190 nan 0.000 0.455 75 A N -0.443 122.184 122.820 -0.322 0.000 1.872 75 A HA -0.012 4.333 4.320 0.041 0.000 0.214 75 A C 2.449 179.843 177.584 -0.317 0.000 1.187 75 A CA 1.695 53.486 52.037 -0.409 0.000 0.614 75 A CB -0.807 17.764 19.000 -0.714 0.000 0.826 75 A HN 0.564 nan 8.150 nan 0.000 0.442 76 A N -0.622 122.081 122.820 -0.195 0.000 1.903 76 A HA -0.273 4.072 4.320 0.041 0.000 0.219 76 A C 2.325 179.889 177.584 -0.034 0.000 1.191 76 A CA 1.964 53.976 52.037 -0.042 0.000 0.638 76 A CB -1.465 17.547 19.000 0.019 0.000 0.823 76 A HN 0.608 nan 8.150 nan 0.000 0.451 77 C N -0.641 118.626 119.300 -0.055 0.000 2.413 77 C HA -0.109 4.376 4.460 0.041 0.000 0.276 77 C C 2.404 177.367 174.990 -0.045 0.000 1.236 77 C CA 1.112 60.110 59.018 -0.034 0.000 1.735 77 C CB -1.284 26.430 27.740 -0.044 0.000 2.031 77 C HN 0.622 nan 8.230 nan 0.000 0.474 78 D N 0.874 121.228 120.400 -0.076 0.000 2.149 78 D HA -0.121 4.544 4.640 0.041 0.000 0.198 78 D C 1.684 177.958 176.300 -0.043 0.000 0.990 78 D CA 1.344 55.304 54.000 -0.067 0.000 0.839 78 D CB -0.582 40.161 40.800 -0.095 0.000 0.948 78 D HN 0.518 nan 8.370 nan 0.000 0.460 79 D N 0.179 120.559 120.400 -0.034 0.000 2.117 79 D HA -0.080 4.585 4.640 0.041 0.000 0.197 79 D C 2.339 178.632 176.300 -0.010 0.000 0.987 79 D CA 0.431 54.427 54.000 -0.006 0.000 0.829 79 D CB -0.196 40.614 40.800 0.017 0.000 0.961 79 D HN 0.293 nan 8.370 nan 0.000 0.460 80 I N 0.623 121.190 120.570 -0.005 0.000 2.252 80 I HA -0.209 3.986 4.170 0.041 0.000 0.245 80 I C 2.396 178.487 176.117 -0.043 0.000 1.102 80 I CA 0.632 61.928 61.300 -0.007 0.000 1.385 80 I CB -0.137 37.877 38.000 0.024 0.000 1.064 80 I HN -0.081 nan 8.210 nan 0.000 0.414 81 I N 0.729 121.274 120.570 -0.042 0.000 2.208 81 I HA -0.317 3.878 4.170 0.041 0.000 0.245 81 I C 1.687 177.779 176.117 -0.041 0.000 1.097 81 I CA 1.430 62.701 61.300 -0.048 0.000 1.363 81 I CB -0.396 37.578 38.000 -0.043 0.000 1.051 81 I HN 0.230 nan 8.210 nan 0.000 0.413 82 D N 0.370 120.751 120.400 -0.031 0.000 2.371 82 D HA 0.013 4.678 4.640 0.041 0.000 0.221 82 D C 1.668 177.954 176.300 -0.022 0.000 0.986 82 D CA 1.175 55.161 54.000 -0.023 0.000 0.899 82 D CB 0.334 41.125 40.800 -0.015 0.000 0.902 82 D HN 0.513 nan 8.370 nan 0.000 0.530 83 G N -0.161 108.622 108.800 -0.028 0.000 2.179 83 G HA2 -0.233 3.752 3.960 0.041 0.000 0.220 83 G HA3 -0.233 3.752 3.960 0.041 0.000 0.220 83 G C 0.118 175.010 174.900 -0.013 0.000 0.990 83 G CA -0.289 44.795 45.100 -0.026 0.000 0.646 83 G HN 0.176 nan 8.290 nan 0.000 0.517 84 L N 0.365 121.582 121.223 -0.010 0.000 2.466 84 L HA 0.695 5.060 4.340 0.041 0.000 0.257 84 L C 1.873 178.748 176.870 0.008 0.000 1.189 84 L CA 0.698 55.533 54.840 -0.008 0.000 0.813 84 L CB 0.719 42.767 42.059 -0.018 0.000 1.118 84 L HN 0.472 nan 8.230 nan 0.000 0.471 85 L N -0.325 120.895 121.223 -0.003 0.000 4.696 85 L HA -0.320 4.045 4.340 0.041 0.000 0.425 85 L C 1.455 178.447 176.870 0.202 0.000 1.115 85 L CA 0.216 55.068 54.840 0.020 0.000 0.996 85 L CB -1.303 40.719 42.059 -0.063 0.000 2.077 85 L HN 0.674 nan 8.230 nan 0.000 0.792 86 M N 1.056 120.751 119.600 0.158 0.000 2.213 86 M HA -0.132 4.372 4.480 0.041 0.000 0.263 86 M C 2.228 178.671 176.300 0.239 0.000 1.062 86 M CA 2.429 57.842 55.300 0.187 0.000 1.105 86 M CB -0.247 32.384 32.600 0.052 0.000 1.385 86 M HN 0.425 nan 8.290 nan 0.000 0.417 87 E N -0.883 119.417 120.200 0.166 0.000 2.515 87 E HA -0.198 4.177 4.350 0.041 0.000 0.201 87 E C 0.954 177.679 176.600 0.208 0.000 1.071 87 E CA 0.863 57.358 56.400 0.159 0.000 0.880 87 E CB -0.522 29.248 29.700 0.116 0.000 0.828 87 E HN 0.563 nan 8.360 nan 0.000 0.540 88 Q N -0.201 119.740 119.800 0.234 0.000 2.356 88 Q HA 0.149 4.514 4.340 0.041 0.000 0.205 88 Q C -0.249 175.735 176.000 -0.026 0.000 0.901 88 Q CA 0.071 55.983 55.803 0.182 0.000 0.938 88 Q CB 0.110 28.882 28.738 0.057 0.000 1.081 88 Q HN 0.246 nan 8.270 nan 0.000 0.517 89 F N 1.547 121.564 119.950 0.112 0.000 2.377 89 F HA 0.098 4.649 4.527 0.040 0.000 0.360 89 F C 1.245 177.060 175.800 0.025 0.000 1.147 89 F CA -0.561 57.473 58.000 0.057 0.000 1.170 89 F CB 0.644 39.673 39.000 0.050 0.000 1.339 89 F HN -0.228 nan 8.300 nan 0.000 0.552 90 V N -0.145 119.779 119.914 0.018 0.000 3.605 90 V HA 0.244 4.389 4.120 0.041 0.000 0.284 90 V C 0.475 176.545 176.094 -0.040 0.000 1.386 90 V CA -0.169 62.108 62.300 -0.038 0.000 1.053 90 V CB -0.355 31.340 31.823 -0.213 0.000 0.857 90 V HN 0.213 nan 8.190 nan 0.000 0.436 91 V N 2.628 122.527 119.914 -0.025 0.000 2.740 91 V HA 0.119 4.264 4.120 0.041 0.000 0.303 91 V C 0.575 176.691 176.094 0.037 0.000 1.054 91 V CA 0.275 62.580 62.300 0.008 0.000 1.106 91 V CB 0.911 32.747 31.823 0.022 0.000 0.957 91 V HN 0.528 nan 8.190 nan 0.000 0.486 92 D N 2.461 122.896 120.400 0.059 0.000 2.414 92 D HA 0.022 4.687 4.640 0.041 0.000 0.242 92 D C 1.094 177.372 176.300 -0.038 0.000 1.129 92 D CA 0.073 54.096 54.000 0.039 0.000 0.885 92 D CB 1.843 42.713 40.800 0.116 0.000 1.198 92 D HN 0.430 nan 8.370 nan 0.000 0.437 93 V N 1.985 121.815 119.914 -0.140 0.000 2.970 93 V HA -0.089 4.055 4.120 0.041 0.000 0.260 93 V C 1.645 177.490 176.094 -0.414 0.000 1.100 93 V CA 0.918 63.027 62.300 -0.318 0.000 1.122 93 V CB -0.877 30.564 31.823 -0.637 0.000 0.721 93 V HN 0.417 nan 8.190 nan 0.000 0.483 94 F N 2.254 122.063 119.950 -0.235 0.000 2.804 94 F HA 0.213 4.759 4.527 0.033 0.000 0.303 94 F C 1.652 177.332 175.800 -0.200 0.000 1.154 94 F CA -0.250 57.649 58.000 -0.168 0.000 1.401 94 F CB -0.486 38.443 39.000 -0.118 0.000 1.106 94 F HN 0.382 nan 8.300 nan 0.000 0.568 95 Q N 0.888 120.561 119.800 -0.212 0.000 2.394 95 Q HA 0.039 4.404 4.340 0.041 0.000 0.347 95 Q C 0.547 176.065 176.000 -0.802 0.000 1.144 95 Q CA 0.512 55.862 55.803 -0.755 0.000 1.050 95 Q CB 0.282 28.645 28.738 -0.624 0.000 1.188 95 Q HN 0.290 nan 8.270 nan 0.000 0.406 96 G N 0.250 108.229 108.800 -1.369 0.000 2.557 96 G HA2 0.486 4.471 3.960 0.041 0.000 0.292 96 G HA3 0.486 4.471 3.960 0.041 0.000 0.292 96 G C 0.727 175.312 174.900 -0.525 0.000 1.237 96 G CA -0.405 44.341 45.100 -0.589 0.000 0.978 96 G HN 1.398 nan 8.290 nan 0.000 0.498 97 G N -1.999 106.666 108.800 -0.226 0.000 2.175 97 G HA2 0.174 4.158 3.960 0.041 0.000 0.244 97 G HA3 0.174 4.158 3.960 0.041 0.000 0.244 97 G C 1.064 175.832 174.900 -0.221 0.000 0.982 97 G CA 1.164 46.169 45.100 -0.159 0.000 0.641 97 G HN 2.479 nan 8.290 nan 0.000 0.527 98 A N -1.743 120.912 122.820 -0.276 0.000 2.899 98 A HA 0.388 4.733 4.320 0.041 0.000 0.257 98 A C 1.995 179.343 177.584 -0.392 0.000 1.335 98 A CA 2.035 53.910 52.037 -0.270 0.000 0.924 98 A CB -1.423 17.453 19.000 -0.207 0.000 1.105 98 A HN 2.840 nan 8.150 nan 0.000 0.765 99 G N -4.126 104.302 108.800 -0.621 0.000 2.905 99 G HA2 -0.057 3.927 3.960 0.041 0.000 0.196 99 G HA3 -0.057 3.927 3.960 0.041 0.000 0.196 99 G C 1.344 175.897 174.900 -0.579 0.000 1.044 99 G CA 1.022 45.421 45.100 -1.169 0.000 0.778 99 G HN 1.309 nan 8.290 nan 0.000 0.474 100 T N 1.838 116.210 114.554 -0.304 0.000 2.649 100 T HA -0.190 4.185 4.350 0.041 0.000 0.268 100 T C 2.521 177.158 174.700 -0.105 0.000 1.036 100 T CA 2.451 64.463 62.100 -0.146 0.000 1.157 100 T CB -0.407 68.414 68.868 -0.079 0.000 0.861 100 T HN 0.396 nan 8.240 nan 0.000 0.445 101 S N 0.833 116.463 115.700 -0.117 0.000 2.382 101 S HA -0.079 4.416 4.470 0.041 0.000 0.228 101 S C 2.500 177.084 174.600 -0.027 0.000 1.027 101 S CA 1.152 59.332 58.200 -0.033 0.000 0.991 101 S CB -0.285 62.924 63.200 0.016 0.000 0.823 101 S HN 0.498 nan 8.310 nan 0.000 0.469 102 S N 1.929 117.582 115.700 -0.079 0.000 2.357 102 S HA -0.076 4.419 4.470 0.041 0.000 0.221 102 S C 1.796 176.459 174.600 0.106 0.000 1.031 102 S CA 1.023 59.248 58.200 0.042 0.000 0.982 102 S CB -0.596 62.641 63.200 0.062 0.000 0.853 102 S HN 0.513 nan 8.310 nan 0.000 0.458 103 N N 1.519 120.247 118.700 0.048 0.000 2.061 103 N HA -0.094 4.671 4.740 0.041 0.000 0.193 103 N C 1.573 177.128 175.510 0.075 0.000 1.030 103 N CA 1.514 54.618 53.050 0.089 0.000 0.856 103 N CB -0.275 38.246 38.487 0.058 0.000 1.023 103 N HN 0.171 nan 8.380 nan 0.000 0.424 104 M N 0.051 119.671 119.600 0.033 0.000 2.319 104 M HA 0.001 4.506 4.480 0.041 0.000 0.265 104 M C 1.843 178.154 176.300 0.019 0.000 1.068 104 M CA 0.794 56.103 55.300 0.015 0.000 1.118 104 M CB -1.540 31.055 32.600 -0.008 0.000 1.395 104 M HN 0.337 nan 8.290 nan 0.000 0.435 105 N N 0.373 119.095 118.700 0.036 0.000 2.120 105 N HA -0.116 4.649 4.740 0.041 0.000 0.188 105 N C 1.700 177.201 175.510 -0.015 0.000 1.024 105 N CA 1.281 54.322 53.050 -0.015 0.000 0.852 105 N CB 0.196 38.704 38.487 0.035 0.000 1.003 105 N HN 0.308 nan 8.380 nan 0.000 0.424 106 A N 1.306 124.263 122.820 0.228 0.000 1.841 106 A HA -0.163 4.182 4.320 0.041 0.000 0.214 106 A C 1.964 179.638 177.584 0.150 0.000 1.195 106 A CA 1.381 53.618 52.037 0.334 0.000 0.611 106 A CB -0.788 18.406 19.000 0.324 0.000 0.835 106 A HN 0.361 nan 8.150 nan 0.000 0.443 107 N N 0.194 118.953 118.700 0.097 0.000 2.060 107 N HA -0.196 4.569 4.740 0.041 0.000 0.195 107 N C 1.676 177.197 175.510 0.019 0.000 1.028 107 N CA 1.891 54.971 53.050 0.051 0.000 0.861 107 N CB -0.520 37.979 38.487 0.019 0.000 1.029 107 N HN 0.695 nan 8.380 nan 0.000 0.428 108 E N 0.317 120.513 120.200 -0.008 0.000 2.047 108 E HA -0.074 4.301 4.350 0.041 0.000 0.191 108 E C 2.119 178.765 176.600 0.077 0.000 0.987 108 E CA 0.772 57.168 56.400 -0.007 0.000 0.799 108 E CB -0.074 29.620 29.700 -0.010 0.000 0.752 108 E HN 0.042 nan 8.360 nan 0.000 0.449 109 V N 1.687 121.622 119.914 0.035 0.000 2.287 109 V HA -0.283 3.862 4.120 0.041 0.000 0.248 109 V C 2.264 178.427 176.094 0.114 0.000 1.053 109 V CA 1.683 64.011 62.300 0.046 0.000 1.027 109 V CB -0.402 31.299 31.823 -0.204 0.000 0.646 109 V HN 0.266 nan 8.190 nan 0.000 0.447 110 I N -0.006 120.628 120.570 0.108 0.000 2.252 110 I HA -0.195 4.000 4.170 0.041 0.000 0.245 110 I C 2.658 178.844 176.117 0.115 0.000 1.102 110 I CA 1.277 62.643 61.300 0.109 0.000 1.385 110 I CB -0.610 37.451 38.000 0.102 0.000 1.064 110 I HN 0.287 nan 8.210 nan 0.000 0.414 111 A N 1.149 124.041 122.820 0.120 0.000 1.865 111 A HA -0.244 4.100 4.320 0.041 0.000 0.217 111 A C 2.107 179.800 177.584 0.181 0.000 1.191 111 A CA 2.117 54.244 52.037 0.150 0.000 0.623 111 A CB -0.728 18.368 19.000 0.161 0.000 0.826 111 A HN 0.410 nan 8.150 nan 0.000 0.444 112 N N -0.870 117.959 118.700 0.215 0.000 2.188 112 N HA -0.132 4.633 4.740 0.041 0.000 0.184 112 N C 1.884 177.543 175.510 0.248 0.000 1.018 112 N CA 1.474 54.640 53.050 0.192 0.000 0.858 112 N CB -0.360 38.229 38.487 0.170 0.000 0.989 112 N HN 0.476 nan 8.380 nan 0.000 0.426 113 R N 1.352 122.046 120.500 0.323 0.000 2.115 113 R HA 0.118 4.483 4.340 0.041 0.000 0.230 113 R C 1.871 178.297 176.300 0.209 0.000 1.111 113 R CA 1.302 57.574 56.100 0.287 0.000 0.976 113 R CB -0.664 29.705 30.300 0.115 0.000 0.870 113 R HN 0.143 nan 8.270 nan 0.000 0.445 114 A N 0.402 123.312 122.820 0.151 0.000 1.933 114 A HA -0.082 4.263 4.320 0.041 0.000 0.218 114 A C 2.155 179.806 177.584 0.112 0.000 1.175 114 A CA 1.377 53.483 52.037 0.114 0.000 0.628 114 A CB -0.544 18.502 19.000 0.077 0.000 0.814 114 A HN 0.358 nan 8.150 nan 0.000 0.444 115 L N -0.137 121.145 121.223 0.099 0.000 2.093 115 L HA -0.219 4.146 4.340 0.041 0.000 0.208 115 L C 2.738 179.634 176.870 0.044 0.000 1.085 115 L CA 1.785 56.656 54.840 0.052 0.000 0.755 115 L CB -0.555 41.504 42.059 0.001 0.000 0.904 115 L HN 0.700 nan 8.230 nan 0.000 0.435 116 E N -1.396 118.844 120.200 0.066 0.000 2.076 116 E HA -0.223 4.152 4.350 0.041 0.000 0.190 116 E C 1.798 178.413 176.600 0.025 0.000 0.979 116 E CA 0.824 57.243 56.400 0.032 0.000 0.807 116 E CB -0.489 29.227 29.700 0.028 0.000 0.761 116 E HN 0.484 nan 8.360 nan 0.000 0.454 117 H N -0.122 118.966 119.070 0.030 0.000 2.566 117 H HA -0.016 4.564 4.556 0.041 0.000 0.285 117 H C 1.070 176.399 175.328 0.002 0.000 1.041 117 H CA 0.859 56.913 56.048 0.011 0.000 1.207 117 H CB 0.422 30.183 29.762 -0.001 0.000 1.353 117 H HN 0.211 nan 8.280 nan 0.000 0.604 118 L N -1.123 120.157 121.223 0.095 0.000 3.086 118 L HA 0.271 4.636 4.340 0.041 0.000 0.274 118 L C 0.892 177.779 176.870 0.027 0.000 1.184 118 L CA 0.756 55.631 54.840 0.058 0.000 1.002 118 L CB 0.541 42.632 42.059 0.054 0.000 1.383 118 L HN 0.158 nan 8.230 nan 0.000 0.582 119 G N 1.809 110.616 108.800 0.012 0.000 2.374 119 G HA2 -0.227 3.758 3.960 0.041 0.000 0.289 119 G HA3 -0.227 3.758 3.960 0.041 0.000 0.289 119 G C -0.140 174.752 174.900 -0.012 0.000 1.004 119 G CA 0.321 45.416 45.100 -0.007 0.000 1.292 119 G HN 0.272 nan 8.290 nan 0.000 0.502 120 R N -0.062 120.426 120.500 -0.020 0.000 2.799 120 R HA 0.622 4.987 4.340 0.041 0.000 0.270 120 R C -2.544 173.718 176.300 -0.063 0.000 1.010 120 R CA -1.869 54.210 56.100 -0.036 0.000 0.916 120 R CB 1.439 31.722 30.300 -0.027 0.000 1.228 120 R HN 0.237 nan 8.270 nan 0.000 0.469 121 P HA 0.320 nan 4.420 nan 0.000 0.277 121 P C -0.561 176.636 177.300 -0.172 0.000 1.240 121 P CA -0.648 62.379 63.100 -0.122 0.000 0.798 121 P CB 0.700 32.328 31.700 -0.120 0.000 0.979 122 R N 0.614 120.996 120.500 -0.197 0.000 2.538 122 R HA 0.322 4.687 4.340 0.041 0.000 0.282 122 R C 1.606 177.708 176.300 -0.330 0.000 1.009 122 R CA 2.063 58.012 56.100 -0.252 0.000 1.063 122 R CB -0.865 29.267 30.300 -0.281 0.000 0.945 122 R HN 0.892 nan 8.270 nan 0.000 0.414 123 G N 2.292 110.761 108.800 -0.553 0.000 2.195 123 G HA2 -0.297 3.688 3.960 0.041 0.000 0.246 123 G HA3 -0.297 3.688 3.960 0.041 0.000 0.246 123 G C -0.069 174.200 174.900 -1.051 0.000 0.984 123 G CA 0.178 44.701 45.100 -0.962 0.000 0.633 123 G HN 0.682 nan 8.290 nan 0.000 0.525 124 D N 0.549 120.585 120.400 -0.607 0.000 2.541 124 D HA 0.344 5.009 4.640 0.041 0.000 0.231 124 D C 1.050 177.201 176.300 -0.249 0.000 1.163 124 D CA -0.504 53.297 54.000 -0.332 0.000 1.077 124 D CB -0.558 40.141 40.800 -0.167 0.000 1.110 124 D HN 0.409 nan 8.370 nan 0.000 0.499 125 Y N 0.688 120.997 120.300 0.015 0.000 2.490 125 Y HA 0.102 4.678 4.550 0.043 0.000 0.281 125 Y C 2.604 178.587 175.900 0.138 0.000 1.174 125 Y CA 0.697 58.818 58.100 0.034 0.000 1.295 125 Y CB -0.899 37.523 38.460 -0.063 0.000 1.062 125 Y HN 0.468 nan 8.280 nan 0.000 0.522 126 Q N -0.081 119.836 119.800 0.195 0.000 2.369 126 Q HA -0.068 4.297 4.340 0.041 0.000 0.206 126 Q C 1.902 177.974 176.000 0.120 0.000 0.963 126 Q CA 1.899 57.794 55.803 0.154 0.000 0.894 126 Q CB -1.043 27.750 28.738 0.091 0.000 0.965 126 Q HN 0.470 nan 8.270 nan 0.000 0.475 127 T N -0.275 114.341 114.554 0.103 0.000 3.004 127 T HA 0.297 4.672 4.350 0.041 0.000 0.243 127 T C 0.560 175.327 174.700 0.113 0.000 1.020 127 T CA 0.358 62.508 62.100 0.084 0.000 1.145 127 T CB 0.319 69.214 68.868 0.045 0.000 0.876 127 T HN 0.461 nan 8.240 nan 0.000 0.449 128 I N 2.160 122.815 120.570 0.142 0.000 2.466 128 I HA 0.268 4.463 4.170 0.041 0.000 0.279 128 I C -0.814 175.451 176.117 0.247 0.000 1.033 128 I CA -0.602 60.800 61.300 0.170 0.000 1.123 128 I CB 1.115 39.195 38.000 0.133 0.000 1.237 128 I HN 0.304 nan 8.210 nan 0.000 0.460 129 H N 8.146 127.300 119.070 0.139 0.000 2.562 129 H HA 0.271 4.852 4.556 0.041 0.000 0.314 129 H C -1.884 173.465 175.328 0.035 0.000 1.079 129 H CA -1.440 54.672 56.048 0.106 0.000 1.349 129 H CB 2.345 32.149 29.762 0.070 0.000 1.432 129 H HN 0.254 nan 8.280 nan 0.000 0.479 130 P HA -0.120 nan 4.420 nan 0.000 0.217 130 P C 0.952 178.244 177.300 -0.013 0.000 1.150 130 P CA 1.115 64.106 63.100 -0.181 0.000 0.832 130 P CB 0.620 32.103 31.700 -0.361 0.000 0.787 131 N N -0.805 117.967 118.700 0.119 0.000 2.197 131 N HA -0.070 4.695 4.740 0.041 0.000 0.184 131 N C 1.210 176.838 175.510 0.198 0.000 1.030 131 N CA 1.065 54.231 53.050 0.193 0.000 0.851 131 N CB -0.601 38.011 38.487 0.207 0.000 1.003 131 N HN 0.085 nan 8.380 nan 0.000 0.430 132 D N 0.991 121.572 120.400 0.300 0.000 2.144 132 D HA -0.073 4.592 4.640 0.041 0.000 0.200 132 D C 1.023 177.380 176.300 0.095 0.000 0.978 132 D CA 1.173 55.217 54.000 0.074 0.000 0.833 132 D CB -0.027 40.716 40.800 -0.094 0.000 0.961 132 D HN 0.254 nan 8.370 nan 0.000 0.470 133 D N -0.798 119.692 120.400 0.151 0.000 2.725 133 D HA 0.039 4.704 4.640 0.041 0.000 0.269 133 D C 2.182 178.550 176.300 0.114 0.000 1.018 133 D CA 0.225 54.300 54.000 0.125 0.000 0.956 133 D CB 0.115 41.000 40.800 0.141 0.000 1.141 133 D HN 0.004 nan 8.370 nan 0.000 0.478 134 V N 1.186 121.165 119.914 0.108 0.000 2.719 134 V HA -0.056 4.089 4.120 0.041 0.000 0.252 134 V C 1.433 177.581 176.094 0.090 0.000 1.065 134 V CA 1.144 63.500 62.300 0.093 0.000 1.086 134 V CB -0.413 31.456 31.823 0.076 0.000 0.700 134 V HN 0.052 nan 8.190 nan 0.000 0.467 135 N N -0.422 118.328 118.700 0.083 0.000 2.235 135 N HA 0.188 4.953 4.740 0.041 0.000 0.209 135 N C 0.519 176.061 175.510 0.053 0.000 1.122 135 N CA -0.115 52.978 53.050 0.072 0.000 0.845 135 N CB 0.009 38.532 38.487 0.060 0.000 1.004 135 N HN 0.412 nan 8.380 nan 0.000 0.499 136 M N 0.500 120.133 119.600 0.055 0.000 2.260 136 M HA -0.063 4.442 4.480 0.041 0.000 0.348 136 M C 0.121 176.379 176.300 -0.070 0.000 1.342 136 M CA 0.844 56.150 55.300 0.009 0.000 1.040 136 M CB 0.190 32.811 32.600 0.035 0.000 1.810 136 M HN 0.258 nan 8.290 nan 0.000 0.453 137 S N 1.418 117.017 115.700 -0.169 0.000 3.261 137 S HA -0.206 4.289 4.470 0.041 0.000 0.287 137 S C -0.515 173.943 174.600 -0.237 0.000 1.281 137 S CA 1.301 59.272 58.200 -0.382 0.000 1.053 137 S CB -1.407 61.195 63.200 -0.996 0.000 1.251 137 S HN 0.903 nan 8.310 nan 0.000 0.659 138 Q N 0.014 119.773 119.800 -0.067 0.000 2.399 138 Q HA 0.741 5.106 4.340 0.041 0.000 0.276 138 Q C -0.470 175.542 176.000 0.020 0.000 1.098 138 Q CA -0.456 55.359 55.803 0.021 0.000 0.827 138 Q CB 2.261 31.043 28.738 0.075 0.000 1.386 138 Q HN 0.216 nan 8.270 nan 0.000 0.443 139 S N -0.424 115.300 115.700 0.040 0.000 2.526 139 S HA 0.276 4.771 4.470 0.041 0.000 0.293 139 S C 0.632 175.267 174.600 0.059 0.000 1.092 139 S CA -0.387 57.836 58.200 0.038 0.000 0.980 139 S CB 1.548 64.766 63.200 0.030 0.000 1.048 139 S HN 0.668 nan 8.310 nan 0.000 0.483 140 T N 4.116 118.700 114.554 0.050 0.000 2.656 140 T HA -0.215 4.160 4.350 0.041 0.000 0.262 140 T C 1.452 176.210 174.700 0.098 0.000 1.070 140 T CA 2.500 64.638 62.100 0.063 0.000 1.160 140 T CB -0.751 68.118 68.868 0.002 0.000 0.855 140 T HN 0.742 nan 8.240 nan 0.000 0.456 141 N N 1.294 120.036 118.700 0.069 0.000 2.430 141 N HA -0.090 4.675 4.740 0.041 0.000 0.186 141 N C 1.507 177.069 175.510 0.087 0.000 1.032 141 N CA 1.434 54.532 53.050 0.080 0.000 0.893 141 N CB -0.279 38.243 38.487 0.059 0.000 0.957 141 N HN 0.744 nan 8.380 nan 0.000 0.442 142 D N -0.996 119.452 120.400 0.081 0.000 2.514 142 D HA 0.037 4.702 4.640 0.041 0.000 0.249 142 D C 1.713 178.058 176.300 0.075 0.000 1.036 142 D CA 0.011 54.053 54.000 0.070 0.000 0.911 142 D CB -0.466 40.371 40.800 0.062 0.000 1.145 142 D HN -0.069 nan 8.370 nan 0.000 0.495 143 V N 0.411 120.383 119.914 0.097 0.000 2.427 143 V HA -0.208 3.937 4.120 0.041 0.000 0.248 143 V C 2.256 178.408 176.094 0.096 0.000 1.051 143 V CA 1.568 63.926 62.300 0.096 0.000 1.048 143 V CB -0.708 31.183 31.823 0.114 0.000 0.666 143 V HN 0.202 nan 8.190 nan 0.000 0.456 144 Y N 2.028 122.334 120.300 0.010 0.000 2.206 144 Y HA 0.021 4.594 4.550 0.037 0.000 0.292 144 Y C -0.230 175.662 175.900 -0.014 0.000 1.123 144 Y CA 1.067 59.162 58.100 -0.008 0.000 1.142 144 Y CB -1.182 37.268 38.460 -0.015 0.000 1.006 144 Y HN 0.307 nan 8.280 nan 0.000 0.518 145 P HA -0.065 nan 4.420 nan 0.000 0.223 145 P C 1.228 178.472 177.300 -0.093 0.000 1.151 145 P CA 1.673 64.722 63.100 -0.085 0.000 0.787 145 P CB -0.023 31.722 31.700 0.075 0.000 0.788 146 T N -0.189 114.322 114.554 -0.072 0.000 2.896 146 T HA 0.036 4.411 4.350 0.041 0.000 0.263 146 T C 2.014 176.642 174.700 -0.119 0.000 1.050 146 T CA 1.332 63.391 62.100 -0.070 0.000 1.140 146 T CB -0.525 68.326 68.868 -0.030 0.000 0.877 146 T HN 0.056 nan 8.240 nan 0.000 0.457 147 A N 0.982 123.706 122.820 -0.161 0.000 1.930 147 A HA 0.000 4.345 4.320 0.041 0.000 0.217 147 A C 2.532 179.954 177.584 -0.270 0.000 1.175 147 A CA 1.031 52.957 52.037 -0.186 0.000 0.627 147 A CB -0.948 17.953 19.000 -0.166 0.000 0.815 147 A HN 0.331 nan 8.150 nan 0.000 0.443 148 V N 0.032 119.709 119.914 -0.395 0.000 2.295 148 V HA -0.289 3.856 4.120 0.041 0.000 0.246 148 V C 2.673 178.554 176.094 -0.354 0.000 1.049 148 V CA 2.360 64.407 62.300 -0.422 0.000 1.024 148 V CB -0.778 30.721 31.823 -0.540 0.000 0.648 148 V HN 0.539 nan 8.190 nan 0.000 0.447 149 R N -0.757 119.573 120.500 -0.285 0.000 2.081 149 R HA -0.161 4.204 4.340 0.041 0.000 0.235 149 R C 2.215 178.367 176.300 -0.247 0.000 1.131 149 R CA 1.517 57.418 56.100 -0.332 0.000 0.960 149 R CB -0.564 29.648 30.300 -0.146 0.000 0.856 149 R HN 0.347 nan 8.270 nan 0.000 0.436 150 L N 0.668 121.790 121.223 -0.168 0.000 2.083 150 L HA -0.099 4.266 4.340 0.041 0.000 0.209 150 L C 2.189 178.978 176.870 -0.135 0.000 1.083 150 L CA 1.871 56.638 54.840 -0.121 0.000 0.752 150 L CB -0.631 41.370 42.059 -0.096 0.000 0.899 150 L HN 0.151 nan 8.230 nan 0.000 0.433 151 A N -0.746 121.968 122.820 -0.177 0.000 1.902 151 A HA -0.152 4.193 4.320 0.041 0.000 0.217 151 A C 2.258 179.750 177.584 -0.154 0.000 1.181 151 A CA 1.848 53.790 52.037 -0.157 0.000 0.623 151 A CB -0.771 18.122 19.000 -0.178 0.000 0.818 151 A HN 0.467 nan 8.150 nan 0.000 0.443 152 L N -0.722 120.355 121.223 -0.243 0.000 2.056 152 L HA -0.163 4.202 4.340 0.041 0.000 0.207 152 L C 2.599 179.396 176.870 -0.120 0.000 1.078 152 L CA 1.047 55.734 54.840 -0.255 0.000 0.749 152 L CB -0.617 41.081 42.059 -0.602 0.000 0.901 152 L HN 0.376 nan 8.230 nan 0.000 0.433 153 L N -0.331 120.837 121.223 -0.092 0.000 2.042 153 L HA -0.258 4.107 4.340 0.041 0.000 0.210 153 L C 2.378 179.244 176.870 -0.006 0.000 1.076 153 L CA 1.330 56.167 54.840 -0.006 0.000 0.749 153 L CB -0.356 41.702 42.059 -0.001 0.000 0.893 153 L HN 0.299 nan 8.230 nan 0.000 0.432 154 L N -1.398 119.805 121.223 -0.033 0.000 2.478 154 L HA -0.044 4.321 4.340 0.041 0.000 0.223 154 L C 1.908 178.773 176.870 -0.009 0.000 1.140 154 L CA 0.304 55.130 54.840 -0.023 0.000 0.842 154 L CB -0.115 41.920 42.059 -0.040 0.000 0.953 154 L HN 0.141 nan 8.230 nan 0.000 0.452 155 S N -1.519 114.180 115.700 -0.002 0.000 2.540 155 S HA 0.025 4.520 4.470 0.041 0.000 0.218 155 S C 1.669 176.306 174.600 0.062 0.000 0.977 155 S CA -0.263 57.950 58.200 0.021 0.000 0.918 155 S CB 0.228 63.437 63.200 0.015 0.000 0.806 155 S HN 0.301 nan 8.310 nan 0.000 0.496 156 Q N 2.306 122.153 119.800 0.078 0.000 2.152 156 Q HA -0.133 4.232 4.340 0.041 0.000 0.206 156 Q C 1.667 177.726 176.000 0.098 0.000 0.985 156 Q CA 1.389 57.265 55.803 0.122 0.000 0.863 156 Q CB -0.644 28.163 28.738 0.115 0.000 0.904 156 Q HN 0.571 nan 8.270 nan 0.000 0.422 157 N N 0.457 119.196 118.700 0.065 0.000 2.069 157 N HA -0.200 4.565 4.740 0.041 0.000 0.191 157 N C 1.815 177.358 175.510 0.056 0.000 1.031 157 N CA 1.624 54.707 53.050 0.054 0.000 0.852 157 N CB -0.050 38.455 38.487 0.030 0.000 1.018 157 N HN 0.351 nan 8.380 nan 0.000 0.423 158 Q N 0.687 120.516 119.800 0.047 0.000 2.061 158 Q HA -0.158 4.207 4.340 0.041 0.000 0.204 158 Q C 2.104 178.134 176.000 0.050 0.000 0.984 158 Q CA 1.899 57.726 55.803 0.040 0.000 0.846 158 Q CB -0.587 28.168 28.738 0.028 0.000 0.902 158 Q HN 0.382 nan 8.270 nan 0.000 0.421 159 V N 0.507 120.459 119.914 0.062 0.000 2.453 159 V HA -0.193 3.952 4.120 0.041 0.000 0.247 159 V C 2.285 178.419 176.094 0.068 0.000 1.048 159 V CA 1.663 63.996 62.300 0.055 0.000 1.049 159 V CB -0.226 31.628 31.823 0.051 0.000 0.672 159 V HN 0.326 nan 8.190 nan 0.000 0.457 160 Q N 0.442 120.302 119.800 0.101 0.000 2.061 160 Q HA -0.170 4.195 4.340 0.041 0.000 0.204 160 Q C 2.343 178.484 176.000 0.234 0.000 0.984 160 Q CA 2.607 58.509 55.803 0.165 0.000 0.846 160 Q CB -1.023 27.820 28.738 0.175 0.000 0.902 160 Q HN 0.721 nan 8.270 nan 0.000 0.421 161 T N 1.521 116.158 114.554 0.139 0.000 2.684 161 T HA -0.144 4.230 4.350 0.041 0.000 0.267 161 T C 1.904 176.667 174.700 0.104 0.000 1.036 161 T CA 1.630 63.796 62.100 0.111 0.000 1.148 161 T CB -0.351 68.546 68.868 0.048 0.000 0.863 161 T HN 0.440 nan 8.240 nan 0.000 0.436 162 A N 1.147 124.005 122.820 0.064 0.000 1.883 162 A HA -0.036 4.309 4.320 0.041 0.000 0.217 162 A C 2.342 179.941 177.584 0.026 0.000 1.186 162 A CA 1.344 53.401 52.037 0.033 0.000 0.624 162 A CB -1.003 18.005 19.000 0.013 0.000 0.822 162 A HN 0.461 nan 8.150 nan 0.000 0.444 163 L N -1.576 119.658 121.223 0.019 0.000 1.990 163 L HA -0.283 4.082 4.340 0.041 0.000 0.213 163 L C 2.613 179.448 176.870 -0.060 0.000 1.072 163 L CA 2.071 56.886 54.840 -0.042 0.000 0.755 163 L CB -0.666 41.330 42.059 -0.105 0.000 0.889 163 L HN 0.522 nan 8.230 nan 0.000 0.432 164 H N -1.654 117.428 119.070 0.021 0.000 2.421 164 H HA -0.175 4.406 4.556 0.041 0.000 0.298 164 H C 2.274 177.610 175.328 0.014 0.000 1.087 164 H CA 1.382 57.444 56.048 0.023 0.000 1.330 164 H CB 0.037 29.809 29.762 0.018 0.000 1.388 164 H HN 0.117 nan 8.280 nan 0.000 0.526 165 R N 0.546 121.109 120.500 0.104 0.000 2.062 165 R HA -0.085 4.280 4.340 0.041 0.000 0.231 165 R C 2.018 178.313 176.300 -0.008 0.000 1.136 165 R CA 1.022 57.147 56.100 0.042 0.000 0.948 165 R CB -0.726 29.585 30.300 0.018 0.000 0.845 165 R HN 0.303 nan 8.270 nan 0.000 0.430 166 L N 0.395 121.600 121.223 -0.030 0.000 2.093 166 L HA 0.011 4.376 4.340 0.041 0.000 0.208 166 L C 1.992 178.853 176.870 -0.016 0.000 1.085 166 L CA 1.568 56.347 54.840 -0.102 0.000 0.755 166 L CB -0.393 41.624 42.059 -0.069 0.000 0.904 166 L HN 0.321 nan 8.230 nan 0.000 0.435 167 I N -0.435 120.178 120.570 0.072 0.000 2.151 167 I HA -0.369 3.826 4.170 0.041 0.000 0.243 167 I C 2.565 178.763 176.117 0.136 0.000 1.080 167 I CA 1.501 62.884 61.300 0.138 0.000 1.339 167 I CB -0.638 37.395 38.000 0.055 0.000 1.039 167 I HN 0.358 nan 8.210 nan 0.000 0.409 168 A N 0.425 123.292 122.820 0.079 0.000 1.898 168 A HA -0.117 4.228 4.320 0.041 0.000 0.216 168 A C 2.542 180.150 177.584 0.040 0.000 1.181 168 A CA 1.673 53.748 52.037 0.065 0.000 0.620 168 A CB -0.888 18.142 19.000 0.049 0.000 0.819 168 A HN 0.431 nan 8.150 nan 0.000 0.442 169 A N -0.652 122.152 122.820 -0.028 0.000 1.873 169 A HA -0.091 4.254 4.320 0.041 0.000 0.218 169 A C 1.932 179.526 177.584 0.017 0.000 1.193 169 A CA 1.836 53.820 52.037 -0.089 0.000 0.629 169 A CB -0.863 17.981 19.000 -0.259 0.000 0.826 169 A HN 0.450 nan 8.150 nan 0.000 0.447 170 F N 0.155 120.191 119.950 0.143 0.000 2.134 170 F HA -0.091 4.460 4.527 0.041 0.000 0.299 170 F C 2.441 178.362 175.800 0.202 0.000 1.097 170 F CA 1.409 59.552 58.000 0.238 0.000 1.264 170 F CB -0.786 38.333 39.000 0.199 0.000 1.001 170 F HN 0.347 nan 8.300 nan 0.000 0.479 171 E N 0.028 120.403 120.200 0.292 0.000 2.038 171 E HA -0.232 4.143 4.350 0.041 0.000 0.195 171 E C 2.455 179.123 176.600 0.114 0.000 1.000 171 E CA 1.170 57.678 56.400 0.180 0.000 0.803 171 E CB -0.413 29.360 29.700 0.122 0.000 0.750 171 E HN 0.332 nan 8.360 nan 0.000 0.448 172 A N 1.770 124.634 122.820 0.074 0.000 1.892 172 A HA -0.247 4.098 4.320 0.041 0.000 0.218 172 A C 2.005 179.543 177.584 -0.077 0.000 1.188 172 A CA 1.576 53.611 52.037 -0.004 0.000 0.631 172 A CB -0.339 18.650 19.000 -0.018 0.000 0.822 172 A HN -0.005 nan 8.150 nan 0.000 0.447 173 K N -0.555 119.822 120.400 -0.038 0.000 2.097 173 K HA -0.101 4.244 4.320 0.041 0.000 0.206 173 K C 2.109 178.557 176.600 -0.253 0.000 1.049 173 K CA 1.203 57.323 56.287 -0.278 0.000 0.933 173 K CB -1.232 31.258 32.500 -0.017 0.000 0.717 173 K HN 0.500 nan 8.250 nan 0.000 0.442 174 G N 1.372 110.220 108.800 0.081 0.000 2.469 174 G HA2 -0.297 3.688 3.960 0.041 0.000 0.220 174 G HA3 -0.297 3.688 3.960 0.041 0.000 0.220 174 G C 1.739 176.654 174.900 0.025 0.000 1.136 174 G CA 0.776 45.949 45.100 0.121 0.000 0.759 174 G HN 0.308 nan 8.290 nan 0.000 0.562 175 R N -0.261 120.217 120.500 -0.035 0.000 2.075 175 R HA 0.084 4.449 4.340 0.041 0.000 0.226 175 R C 2.475 178.715 176.300 -0.100 0.000 1.114 175 R CA 0.962 57.035 56.100 -0.045 0.000 0.972 175 R CB -0.305 29.969 30.300 -0.043 0.000 0.869 175 R HN 0.419 nan 8.270 nan 0.000 0.437 176 E N -0.034 120.017 120.200 -0.248 0.000 2.118 176 E HA -0.164 4.211 4.350 0.041 0.000 0.195 176 E C 0.320 176.794 176.600 -0.211 0.000 0.992 176 E CA 1.035 57.229 56.400 -0.342 0.000 0.804 176 E CB 0.158 29.474 29.700 -0.640 0.000 0.741 176 E HN 0.185 nan 8.360 nan 0.000 0.458 177 F N -0.495 119.416 119.950 -0.065 0.000 2.639 177 F HA 0.358 4.910 4.527 0.041 0.000 0.300 177 F C 1.512 177.306 175.800 -0.011 0.000 1.109 177 F CA -0.095 57.859 58.000 -0.078 0.000 1.335 177 F CB -0.377 38.505 39.000 -0.196 0.000 1.014 177 F HN -0.008 nan 8.300 nan 0.000 0.537 178 A N 0.305 123.216 122.820 0.152 0.000 1.948 178 A HA -0.234 4.111 4.320 0.041 0.000 0.220 178 A C 2.280 179.995 177.584 0.219 0.000 1.177 178 A CA 2.612 54.747 52.037 0.164 0.000 0.636 178 A CB -0.995 18.054 19.000 0.081 0.000 0.815 178 A HN 0.393 nan 8.150 nan 0.000 0.449 179 T N -3.944 110.706 114.554 0.160 0.000 3.040 179 T HA 0.268 4.642 4.350 0.041 0.000 0.250 179 T C 0.364 175.136 174.700 0.120 0.000 1.058 179 T CA 0.301 62.495 62.100 0.157 0.000 0.988 179 T CB -0.337 68.589 68.868 0.098 0.000 0.993 179 T HN 0.007 nan 8.240 nan 0.000 0.519 180 V N 3.353 123.331 119.914 0.106 0.000 2.459 180 V HA 0.156 4.301 4.120 0.041 0.000 0.255 180 V C 0.549 176.650 176.094 0.012 0.000 1.015 180 V CA -0.345 61.978 62.300 0.039 0.000 1.163 180 V CB -1.541 30.274 31.823 -0.012 0.000 1.109 180 V HN 0.479 nan 8.190 nan 0.000 0.473 181 I N 6.398 126.974 120.570 0.010 0.000 2.581 181 I HA 0.526 4.721 4.170 0.041 0.000 0.288 181 I C 0.189 176.284 176.117 -0.036 0.000 1.047 181 I CA 0.189 61.480 61.300 -0.014 0.000 1.374 181 I CB 0.763 38.761 38.000 -0.002 0.000 1.423 181 I HN 0.802 nan 8.210 nan 0.000 0.549 182 K N 5.287 125.658 120.400 -0.049 0.000 2.615 182 K HA 0.461 4.806 4.320 0.041 0.000 0.291 182 K C -1.620 174.950 176.600 -0.049 0.000 1.017 182 K CA -0.959 55.300 56.287 -0.047 0.000 0.882 182 K CB 0.882 33.353 32.500 -0.050 0.000 1.522 182 K HN 0.372 nan 8.250 nan 0.000 0.412 183 I N 1.842 122.388 120.570 -0.040 0.000 2.371 183 I HA 0.303 4.498 4.170 0.041 0.000 0.290 183 I C 0.456 176.550 176.117 -0.038 0.000 1.028 183 I CA 0.440 61.717 61.300 -0.039 0.000 1.345 183 I CB 1.124 39.106 38.000 -0.030 0.000 1.407 183 I HN 0.741 nan 8.210 nan 0.000 0.501 184 G N 6.941 115.714 108.800 -0.046 0.000 2.594 184 G HA2 0.383 4.368 3.960 0.041 0.000 0.243 184 G HA3 0.383 4.368 3.960 0.041 0.000 0.243 184 G C -0.486 174.397 174.900 -0.028 0.000 1.229 184 G CA -0.546 44.529 45.100 -0.042 0.000 0.843 184 G HN 0.656 nan 8.290 nan 0.000 0.578 185 R N -0.270 120.217 120.500 -0.022 0.000 2.538 185 R HA 0.455 4.820 4.340 0.041 0.000 0.292 185 R C -0.699 175.593 176.300 -0.012 0.000 1.008 185 R CA -0.639 55.453 56.100 -0.014 0.000 0.896 185 R CB 2.109 32.406 30.300 -0.006 0.000 1.187 185 R HN 0.703 nan 8.270 nan 0.000 0.440 186 T N -0.302 114.245 114.554 -0.011 0.000 2.797 186 T HA 0.228 4.603 4.350 0.041 0.000 0.279 186 T C 0.224 174.922 174.700 -0.005 0.000 0.991 186 T CA -0.777 61.318 62.100 -0.009 0.000 0.979 186 T CB 1.566 70.428 68.868 -0.011 0.000 0.943 186 T HN 0.729 nan 8.240 nan 0.000 0.444 187 Q N 1.547 121.346 119.800 -0.002 0.000 2.480 187 Q HA -0.196 4.169 4.340 0.041 0.000 0.265 187 Q C 0.534 176.535 176.000 0.001 0.000 1.072 187 Q CA 0.642 56.444 55.803 -0.000 0.000 1.018 187 Q CB -1.958 26.779 28.738 -0.001 0.000 1.433 187 Q HN 0.929 nan 8.270 nan 0.000 0.513 188 L N -2.912 118.311 121.223 0.001 0.000 4.884 188 L HA -0.292 4.073 4.340 0.041 0.000 0.430 188 L C 0.071 176.941 176.870 -0.001 0.000 1.087 188 L CA 1.071 55.912 54.840 0.002 0.000 1.033 188 L CB -1.181 40.880 42.059 0.004 0.000 2.030 188 L HN 0.340 nan 8.230 nan 0.000 0.762 189 Q N 1.092 120.890 119.800 -0.003 0.000 2.271 189 Q HA 0.287 4.652 4.340 0.041 0.000 0.258 189 Q C -0.158 175.837 176.000 -0.008 0.000 0.936 189 Q CA -0.532 55.269 55.803 -0.005 0.000 0.909 189 Q CB 1.366 30.101 28.738 -0.004 0.000 1.253 189 Q HN 0.037 nan 8.270 nan 0.000 0.440 190 D N 1.701 122.095 120.400 -0.009 0.000 2.658 190 D HA 0.001 4.666 4.640 0.041 0.000 0.230 190 D C 0.195 176.486 176.300 -0.016 0.000 1.118 190 D CA 0.531 54.523 54.000 -0.013 0.000 0.848 190 D CB 0.686 41.478 40.800 -0.014 0.000 1.160 190 D HN 0.602 nan 8.370 nan 0.000 0.497 191 A N 2.804 125.612 122.820 -0.020 0.000 3.245 191 A HA 0.636 4.981 4.320 0.041 0.000 0.202 191 A C 0.203 177.771 177.584 -0.028 0.000 1.796 191 A CA 0.123 52.147 52.037 -0.022 0.000 1.861 191 A CB 0.014 18.999 19.000 -0.024 0.000 1.445 191 A HN 0.458 nan 8.150 nan 0.000 0.438 192 V N -3.300 116.593 119.914 -0.036 0.000 3.019 192 V HA 0.680 4.825 4.120 0.041 0.000 0.317 192 V C -3.107 172.952 176.094 -0.058 0.000 1.094 192 V CA -2.715 59.559 62.300 -0.043 0.000 1.000 192 V CB 1.039 32.836 31.823 -0.042 0.000 1.060 192 V HN 0.460 nan 8.190 nan 0.000 0.443 193 P HA 0.544 nan 4.420 nan 0.000 0.271 193 P C -0.651 176.574 177.300 -0.124 0.000 1.218 193 P CA 0.088 63.139 63.100 -0.083 0.000 0.780 193 P CB 0.734 32.387 31.700 -0.078 0.000 0.901 194 I N 0.160 120.651 120.570 -0.132 0.000 3.004 194 I HA 0.439 4.634 4.170 0.041 0.000 0.305 194 I C -0.811 175.213 176.117 -0.154 0.000 1.312 194 I CA -0.755 60.437 61.300 -0.181 0.000 0.992 194 I CB 2.365 40.280 38.000 -0.142 0.000 1.282 194 I HN 0.341 nan 8.210 nan 0.000 0.449 195 T N 2.850 117.297 114.554 -0.179 0.000 2.909 195 T HA 0.246 4.621 4.350 0.041 0.000 0.286 195 T C 0.842 175.537 174.700 -0.009 0.000 1.002 195 T CA -0.613 61.451 62.100 -0.060 0.000 1.074 195 T CB 1.593 70.481 68.868 0.034 0.000 0.984 195 T HN 0.603 nan 8.240 nan 0.000 0.495 196 L N 3.261 124.485 121.223 0.003 0.000 2.079 196 L HA 0.131 4.495 4.340 0.041 0.000 0.210 196 L C 2.489 179.443 176.870 0.140 0.000 1.081 196 L CA 2.451 57.300 54.840 0.015 0.000 0.752 196 L CB -1.263 40.678 42.059 -0.197 0.000 0.896 196 L HN 1.004 nan 8.230 nan 0.000 0.433 197 G N -1.544 107.361 108.800 0.175 0.000 2.446 197 G HA2 -0.316 3.669 3.960 0.041 0.000 0.217 197 G HA3 -0.316 3.669 3.960 0.041 0.000 0.217 197 G C 1.467 176.467 174.900 0.167 0.000 1.168 197 G CA 0.846 46.069 45.100 0.205 0.000 0.771 197 G HN 0.520 nan 8.290 nan 0.000 0.551 198 Q N -0.298 119.564 119.800 0.104 0.000 2.084 198 Q HA -0.088 4.277 4.340 0.041 0.000 0.202 198 Q C 2.424 178.390 176.000 -0.057 0.000 0.978 198 Q CA 1.445 57.267 55.803 0.032 0.000 0.844 198 Q CB -0.144 28.576 28.738 -0.031 0.000 0.898 198 Q HN 0.688 nan 8.270 nan 0.000 0.426 199 E N -0.220 119.937 120.200 -0.071 0.000 2.077 199 E HA -0.181 4.193 4.350 0.041 0.000 0.193 199 E C 1.434 177.678 176.600 -0.592 0.000 0.989 199 E CA 0.850 57.078 56.400 -0.286 0.000 0.800 199 E CB 0.035 29.643 29.700 -0.152 0.000 0.746 199 E HN 0.258 nan 8.360 nan 0.000 0.452 200 F N 0.948 120.675 119.950 -0.371 0.000 2.259 200 F HA -0.059 4.494 4.527 0.042 0.000 0.298 200 F C 2.376 178.097 175.800 -0.132 0.000 1.088 200 F CA 1.378 59.254 58.000 -0.206 0.000 1.358 200 F CB -0.212 38.903 39.000 0.193 0.000 1.040 200 F HN 0.097 nan 8.300 nan 0.000 0.505 201 E N 0.570 120.821 120.200 0.084 0.000 2.208 201 E HA -0.087 4.288 4.350 0.041 0.000 0.193 201 E C 2.070 178.644 176.600 -0.043 0.000 0.988 201 E CA 1.155 57.592 56.400 0.062 0.000 0.828 201 E CB -0.358 29.391 29.700 0.082 0.000 0.763 201 E HN 0.202 nan 8.360 nan 0.000 0.478 202 A N 0.109 122.827 122.820 -0.169 0.000 1.933 202 A HA -0.105 4.240 4.320 0.041 0.000 0.218 202 A C 1.864 179.359 177.584 -0.149 0.000 1.175 202 A CA 1.376 53.302 52.037 -0.186 0.000 0.628 202 A CB -0.888 17.955 19.000 -0.262 0.000 0.814 202 A HN 0.334 nan 8.150 nan 0.000 0.444 203 F N 0.378 120.148 119.950 -0.300 0.000 2.065 203 F HA -0.178 4.374 4.527 0.042 0.000 0.298 203 F C 2.887 178.512 175.800 -0.292 0.000 1.112 203 F CA 0.541 58.236 58.000 -0.510 0.000 1.212 203 F CB -1.395 36.856 39.000 -1.248 0.000 0.975 203 F HN 0.275 nan 8.300 nan 0.000 0.476 204 A N 0.184 123.030 122.820 0.044 0.000 1.892 204 A HA -0.163 4.182 4.320 0.041 0.000 0.218 204 A C 2.502 180.127 177.584 0.068 0.000 1.188 204 A CA 2.575 54.697 52.037 0.143 0.000 0.631 204 A CB -1.446 17.660 19.000 0.177 0.000 0.822 204 A HN 0.349 nan 8.150 nan 0.000 0.447 205 A N -1.705 121.134 122.820 0.031 0.000 1.865 205 A HA -0.185 4.159 4.320 0.041 0.000 0.217 205 A C 2.397 179.985 177.584 0.007 0.000 1.191 205 A CA 2.643 54.689 52.037 0.015 0.000 0.623 205 A CB -1.491 17.507 19.000 -0.003 0.000 0.826 205 A HN 0.478 nan 8.150 nan 0.000 0.444 206 T N -0.344 114.213 114.554 0.005 0.000 2.759 206 T HA -0.085 4.290 4.350 0.041 0.000 0.269 206 T C 1.712 176.410 174.700 -0.004 0.000 1.042 206 T CA 1.591 63.691 62.100 0.001 0.000 1.140 206 T CB -0.444 68.427 68.868 0.005 0.000 0.864 206 T HN 0.371 nan 8.240 nan 0.000 0.455 207 L N -0.008 121.219 121.223 0.007 0.000 2.217 207 L HA 0.038 4.403 4.340 0.041 0.000 0.211 207 L C 2.868 179.714 176.870 -0.039 0.000 1.107 207 L CA 1.029 55.865 54.840 -0.007 0.000 0.783 207 L CB -0.392 41.685 42.059 0.030 0.000 0.919 207 L HN 0.160 nan 8.230 nan 0.000 0.442 208 R N 0.157 120.641 120.500 -0.026 0.000 2.115 208 R HA -0.147 4.218 4.340 0.041 0.000 0.230 208 R C 2.082 178.364 176.300 -0.029 0.000 1.111 208 R CA 1.116 57.193 56.100 -0.040 0.000 0.976 208 R CB -0.202 30.094 30.300 -0.007 0.000 0.870 208 R HN 0.438 nan 8.270 nan 0.000 0.445 209 E N 0.645 120.833 120.200 -0.019 0.000 2.085 209 E HA -0.193 4.182 4.350 0.041 0.000 0.194 209 E C 1.454 178.039 176.600 -0.026 0.000 0.994 209 E CA 1.393 57.783 56.400 -0.017 0.000 0.801 209 E CB -0.024 29.668 29.700 -0.015 0.000 0.743 209 E HN 0.302 nan 8.360 nan 0.000 0.453 210 D N -0.078 120.301 120.400 -0.036 0.000 2.144 210 D HA -0.144 4.521 4.640 0.041 0.000 0.199 210 D C 2.204 178.477 176.300 -0.045 0.000 0.984 210 D CA 1.872 55.846 54.000 -0.044 0.000 0.834 210 D CB -0.581 40.189 40.800 -0.050 0.000 0.955 210 D HN 0.320 nan 8.370 nan 0.000 0.465 211 T N -0.820 113.696 114.554 -0.062 0.000 2.777 211 T HA -0.027 4.348 4.350 0.041 0.000 0.266 211 T C 2.136 176.836 174.700 0.001 0.000 1.040 211 T CA 1.435 63.502 62.100 -0.055 0.000 1.141 211 T CB -0.367 68.409 68.868 -0.154 0.000 0.868 211 T HN 0.113 nan 8.240 nan 0.000 0.444 212 A N 2.166 124.985 122.820 -0.001 0.000 1.873 212 A HA 0.150 4.494 4.320 0.041 0.000 0.215 212 A C 2.867 180.454 177.584 0.006 0.000 1.186 212 A CA 2.348 54.393 52.037 0.012 0.000 0.616 212 A CB -1.395 17.610 19.000 0.009 0.000 0.823 212 A HN 0.692 nan 8.150 nan 0.000 0.442 213 R N -0.520 119.976 120.500 -0.006 0.000 2.105 213 R HA -0.018 4.347 4.340 0.041 0.000 0.239 213 R C 2.075 178.373 176.300 -0.003 0.000 1.135 213 R CA 1.830 57.922 56.100 -0.012 0.000 0.967 213 R CB -1.581 28.704 30.300 -0.026 0.000 0.861 213 R HN 0.576 nan 8.270 nan 0.000 0.442 214 L N 0.576 121.802 121.223 0.004 0.000 2.027 214 L HA -0.022 4.343 4.340 0.041 0.000 0.206 214 L C 2.402 179.330 176.870 0.097 0.000 1.074 214 L CA 2.507 57.371 54.840 0.040 0.000 0.745 214 L CB -0.583 41.495 42.059 0.031 0.000 0.898 214 L HN 0.567 nan 8.230 nan 0.000 0.433 215 E N -0.537 119.705 120.200 0.070 0.000 2.070 215 E HA -0.316 4.058 4.350 0.041 0.000 0.197 215 E C 2.133 178.754 176.600 0.035 0.000 1.004 215 E CA 1.731 58.169 56.400 0.063 0.000 0.805 215 E CB -0.198 29.533 29.700 0.051 0.000 0.744 215 E HN 0.688 nan 8.360 nan 0.000 0.451 216 E N -0.200 120.010 120.200 0.017 0.000 2.106 216 E HA -0.162 4.213 4.350 0.041 0.000 0.192 216 E C 2.021 178.602 176.600 -0.031 0.000 0.984 216 E CA 1.353 57.748 56.400 -0.008 0.000 0.806 216 E CB 0.093 29.787 29.700 -0.009 0.000 0.750 216 E HN 0.171 nan 8.360 nan 0.000 0.458 217 V N 1.476 121.383 119.914 -0.011 0.000 2.453 217 V HA -0.166 3.979 4.120 0.041 0.000 0.247 217 V C 2.601 178.616 176.094 -0.131 0.000 1.048 217 V CA 1.513 63.789 62.300 -0.040 0.000 1.049 217 V CB -0.644 31.205 31.823 0.043 0.000 0.672 217 V HN 0.465 nan 8.190 nan 0.000 0.457 218 A N 0.403 123.221 122.820 -0.003 0.000 1.948 218 A HA -0.220 4.125 4.320 0.041 0.000 0.220 218 A C 2.409 179.902 177.584 -0.152 0.000 1.177 218 A CA 2.168 54.157 52.037 -0.080 0.000 0.636 218 A CB -0.804 18.253 19.000 0.096 0.000 0.815 218 A HN 0.609 nan 8.150 nan 0.000 0.449 219 A N -0.335 122.426 122.820 -0.098 0.000 2.076 219 A HA -0.058 4.287 4.320 0.041 0.000 0.220 219 A C 2.056 179.563 177.584 -0.129 0.000 1.160 219 A CA 1.457 53.445 52.037 -0.081 0.000 0.653 219 A CB -0.596 18.372 19.000 -0.053 0.000 0.801 219 A HN 0.532 nan 8.150 nan 0.000 0.455 220 L N -1.907 119.164 121.223 -0.253 0.000 2.141 220 L HA -0.136 4.229 4.340 0.041 0.000 0.209 220 L C 2.046 178.796 176.870 -0.199 0.000 1.094 220 L CA 0.848 55.525 54.840 -0.272 0.000 0.763 220 L CB -0.662 41.172 42.059 -0.374 0.000 0.908 220 L HN 0.328 nan 8.230 nan 0.000 0.437 221 F N 0.521 120.380 119.950 -0.152 0.000 2.408 221 F HA -0.134 4.415 4.527 0.038 0.000 0.300 221 F C 2.496 178.225 175.800 -0.118 0.000 1.090 221 F CA 0.744 58.645 58.000 -0.164 0.000 1.427 221 F CB -0.887 37.995 39.000 -0.197 0.000 1.070 221 F HN 0.004 nan 8.300 nan 0.000 0.549 222 R N 0.303 120.836 120.500 0.054 0.000 2.237 222 R HA -0.055 4.310 4.340 0.041 0.000 0.219 222 R C 0.305 176.603 176.300 -0.004 0.000 1.080 222 R CA 0.512 56.621 56.100 0.016 0.000 0.995 222 R CB -0.262 30.035 30.300 -0.006 0.000 0.875 222 R HN 0.323 nan 8.270 nan 0.000 0.462 223 E N 1.565 121.756 120.200 -0.013 0.000 2.152 223 E HA 0.128 4.503 4.350 0.041 0.000 0.285 223 E C -0.611 175.973 176.600 -0.027 0.000 1.043 223 E CA -0.267 56.115 56.400 -0.029 0.000 0.839 223 E CB 1.451 31.121 29.700 -0.050 0.000 1.069 223 E HN -0.037 nan 8.360 nan 0.000 0.399 224 V N 0.949 120.845 119.914 -0.029 0.000 2.715 224 V HA 0.315 4.460 4.120 0.041 0.000 0.310 224 V C 0.562 176.637 176.094 -0.031 0.000 1.054 224 V CA -1.052 61.231 62.300 -0.028 0.000 0.928 224 V CB 1.865 33.672 31.823 -0.027 0.000 1.007 224 V HN 0.653 nan 8.190 nan 0.000 0.437 225 N N 2.304 120.989 118.700 -0.025 0.000 2.314 225 N HA 0.066 4.831 4.740 0.041 0.000 0.200 225 N C 0.175 175.685 175.510 -0.000 0.000 1.135 225 N CA -0.314 52.723 53.050 -0.021 0.000 0.835 225 N CB -0.000 38.472 38.487 -0.024 0.000 0.989 225 N HN 0.734 nan 8.380 nan 0.000 0.478 226 L N 0.939 122.163 121.223 0.002 0.000 2.601 226 L HA 0.264 4.628 4.340 0.041 0.000 0.277 226 L C 1.345 178.242 176.870 0.044 0.000 1.219 226 L CA 1.698 56.553 54.840 0.026 0.000 0.915 226 L CB -0.297 41.761 42.059 -0.002 0.000 1.160 226 L HN 0.558 nan 8.230 nan 0.000 0.494 227 G N 2.830 111.706 108.800 0.126 0.000 2.279 227 G HA2 -0.257 3.728 3.960 0.041 0.000 0.223 227 G HA3 -0.257 3.728 3.960 0.041 0.000 0.223 227 G C 0.934 175.868 174.900 0.057 0.000 1.015 227 G CA 0.248 45.442 45.100 0.156 0.000 0.621 227 G HN 1.244 nan 8.290 nan 0.000 0.506 228 G N 0.830 109.646 108.800 0.026 0.000 2.625 228 G HA2 0.362 4.346 3.960 0.041 0.000 0.214 228 G HA3 0.362 4.346 3.960 0.041 0.000 0.214 228 G C 1.587 176.497 174.900 0.017 0.000 1.132 228 G CA 2.760 47.863 45.100 0.005 0.000 0.782 228 G HN 2.193 nan 8.290 nan 0.000 0.538 229 T N -1.245 113.328 114.554 0.031 0.000 13.928 229 T HA -0.444 3.931 4.350 0.041 0.000 0.416 229 T C 2.010 176.729 174.700 0.031 0.000 1.443 229 T CA 2.530 64.646 62.100 0.027 0.000 2.321 229 T CB -1.427 67.444 68.868 0.005 0.000 2.747 229 T HN 1.282 nan 8.240 nan 0.000 0.336 230 A N 1.984 124.819 122.820 0.025 0.000 1.858 230 A HA 0.361 4.705 4.320 0.041 0.000 0.216 230 A C 2.649 180.258 177.584 0.042 0.000 1.190 230 A CA 2.968 55.022 52.037 0.029 0.000 0.617 230 A CB -0.784 18.228 19.000 0.020 0.000 0.827 230 A HN 1.732 nan 8.150 nan 0.000 0.443 231 I N -6.989 113.607 120.570 0.045 0.000 4.310 231 I HA 0.571 4.766 4.170 0.041 0.000 0.328 231 I C 0.870 177.026 176.117 0.066 0.000 1.406 231 I CA 0.502 61.842 61.300 0.067 0.000 1.174 231 I CB 0.737 38.777 38.000 0.067 0.000 1.279 231 I HN 0.491 nan 8.210 nan 0.000 0.471 232 G N 2.187 111.010 108.800 0.040 0.000 2.159 232 G HA2 -0.298 3.687 3.960 0.041 0.000 0.227 232 G HA3 -0.298 3.687 3.960 0.041 0.000 0.227 232 G C 0.752 175.662 174.900 0.018 0.000 0.986 232 G CA 0.506 45.620 45.100 0.023 0.000 0.651 232 G HN 0.582 nan 8.290 nan 0.000 0.523 233 T N -2.072 112.494 114.554 0.021 0.000 3.107 233 T HA 0.360 4.735 4.350 0.041 0.000 0.249 233 T C 1.490 176.191 174.700 0.002 0.000 1.096 233 T CA 1.005 63.115 62.100 0.017 0.000 1.012 233 T CB -0.125 68.757 68.868 0.023 0.000 0.977 233 T HN 0.893 nan 8.240 nan 0.000 0.527 234 R N -0.699 119.795 120.500 -0.010 0.000 3.977 234 R HA -0.142 4.223 4.340 0.041 0.000 0.428 234 R C 0.373 176.661 176.300 -0.019 0.000 1.079 234 R CA 0.816 56.901 56.100 -0.026 0.000 1.269 234 R CB -2.639 27.621 30.300 -0.067 0.000 1.856 234 R HN 0.556 nan 8.270 nan 0.000 0.551 235 I N 2.360 122.925 120.570 -0.009 0.000 2.906 235 I HA -0.230 3.965 4.170 0.041 0.000 0.302 235 I C 0.321 176.421 176.117 -0.029 0.000 1.220 235 I CA 1.350 62.643 61.300 -0.011 0.000 1.441 235 I CB 0.197 38.195 38.000 -0.003 0.000 1.336 235 I HN 0.422 nan 8.210 nan 0.000 0.565 236 N N 2.831 121.508 118.700 -0.039 0.000 2.965 236 N HA -0.188 4.577 4.740 0.041 0.000 0.232 236 N C -0.566 174.871 175.510 -0.122 0.000 0.913 236 N CA 1.193 54.204 53.050 -0.066 0.000 0.981 236 N CB -1.228 37.223 38.487 -0.059 0.000 1.077 236 N HN 0.686 nan 8.380 nan 0.000 0.589 237 A N 0.055 122.806 122.820 -0.115 0.000 2.408 237 A HA 0.681 5.025 4.320 0.041 0.000 0.295 237 A C 0.361 177.917 177.584 -0.046 0.000 1.040 237 A CA 0.124 52.048 52.037 -0.188 0.000 0.707 237 A CB 1.320 20.161 19.000 -0.266 0.000 1.235 237 A HN 0.404 nan 8.150 nan 0.000 0.418 238 S N 1.421 117.126 115.700 0.009 0.000 2.603 238 S HA 0.277 4.772 4.470 0.041 0.000 0.268 238 S C 0.934 175.624 174.600 0.151 0.000 1.317 238 S CA 0.286 58.542 58.200 0.094 0.000 1.012 238 S CB 0.282 63.543 63.200 0.102 0.000 0.926 238 S HN 0.735 nan 8.310 nan 0.000 0.539 239 H N 1.594 120.715 119.070 0.085 0.000 2.319 239 H HA -0.082 4.500 4.556 0.042 0.000 0.297 239 H C 2.366 177.736 175.328 0.070 0.000 1.097 239 H CA 2.633 58.723 56.048 0.071 0.000 1.285 239 H CB -0.540 29.246 29.762 0.039 0.000 1.368 239 H HN 0.816 nan 8.280 nan 0.000 0.495 240 A N -0.036 122.906 122.820 0.204 0.000 1.902 240 A HA -0.245 4.099 4.320 0.041 0.000 0.217 240 A C 2.184 179.832 177.584 0.106 0.000 1.181 240 A CA 1.701 53.812 52.037 0.123 0.000 0.623 240 A CB -1.145 17.910 19.000 0.092 0.000 0.818 240 A HN 0.666 nan 8.150 nan 0.000 0.443 241 Y N 0.710 121.027 120.300 0.029 0.000 2.128 241 Y HA -0.160 4.414 4.550 0.040 0.000 0.284 241 Y C 2.569 178.478 175.900 0.014 0.000 1.154 241 Y CA 1.671 59.782 58.100 0.018 0.000 1.149 241 Y CB -0.559 37.910 38.460 0.015 0.000 0.976 241 Y HN 0.300 nan 8.280 nan 0.000 0.505 242 A N 0.148 122.952 122.820 -0.026 0.000 1.873 242 A HA -0.197 4.148 4.320 0.041 0.000 0.215 242 A C 2.157 179.652 177.584 -0.148 0.000 1.186 242 A CA 1.775 53.727 52.037 -0.142 0.000 0.616 242 A CB -0.992 18.011 19.000 0.005 0.000 0.823 242 A HN 0.635 nan 8.150 nan 0.000 0.442 243 E N -1.105 119.064 120.200 -0.052 0.000 2.049 243 E HA -0.308 4.067 4.350 0.041 0.000 0.198 243 E C 2.288 178.843 176.600 -0.074 0.000 1.007 243 E CA 1.799 58.181 56.400 -0.030 0.000 0.809 243 E CB -0.109 29.605 29.700 0.022 0.000 0.749 243 E HN 0.615 nan 8.360 nan 0.000 0.450 244 Q N 0.019 119.759 119.800 -0.100 0.000 2.079 244 Q HA -0.081 4.284 4.340 0.041 0.000 0.200 244 Q C 1.801 177.706 176.000 -0.158 0.000 0.974 244 Q CA 1.815 57.554 55.803 -0.106 0.000 0.840 244 Q CB -0.362 28.327 28.738 -0.082 0.000 0.898 244 Q HN 0.302 nan 8.270 nan 0.000 0.430 245 A N 0.051 122.688 122.820 -0.305 0.000 1.902 245 A HA -0.129 4.215 4.320 0.041 0.000 0.217 245 A C 2.132 179.619 177.584 -0.161 0.000 1.181 245 A CA 1.433 53.290 52.037 -0.301 0.000 0.623 245 A CB -0.725 17.932 19.000 -0.571 0.000 0.818 245 A HN 0.460 nan 8.150 nan 0.000 0.443 246 I N -0.569 119.917 120.570 -0.141 0.000 2.286 246 I HA -0.209 3.986 4.170 0.041 0.000 0.248 246 I C 2.321 178.403 176.117 -0.058 0.000 1.115 246 I CA 0.923 62.174 61.300 -0.082 0.000 1.392 246 I CB -0.210 37.751 38.000 -0.066 0.000 1.065 246 I HN 0.155 nan 8.210 nan 0.000 0.418 247 V N 0.449 120.328 119.914 -0.057 0.000 2.343 247 V HA -0.278 3.867 4.120 0.041 0.000 0.247 247 V C 2.432 178.508 176.094 -0.029 0.000 1.051 247 V CA 1.962 64.240 62.300 -0.037 0.000 1.036 247 V CB -0.434 31.371 31.823 -0.031 0.000 0.654 247 V HN 0.368 nan 8.190 nan 0.000 0.451 248 E N -0.387 119.792 120.200 -0.035 0.000 2.208 248 E HA -0.131 4.244 4.350 0.041 0.000 0.193 248 E C 1.795 178.386 176.600 -0.015 0.000 0.988 248 E CA 0.624 57.015 56.400 -0.015 0.000 0.828 248 E CB -0.153 29.543 29.700 -0.008 0.000 0.763 248 E HN 0.440 nan 8.360 nan 0.000 0.478 249 L N -0.396 120.810 121.223 -0.029 0.000 2.179 249 L HA 0.062 4.427 4.340 0.041 0.000 0.208 249 L C 1.911 178.767 176.870 -0.023 0.000 1.096 249 L CA 1.252 56.077 54.840 -0.026 0.000 0.779 249 L CB -0.363 41.675 42.059 -0.036 0.000 0.922 249 L HN -0.031 nan 8.230 nan 0.000 0.443 250 S N -0.637 115.049 115.700 -0.023 0.000 2.383 250 S HA -0.241 4.254 4.470 0.041 0.000 0.227 250 S C 1.797 176.389 174.600 -0.014 0.000 1.026 250 S CA 1.481 59.670 58.200 -0.019 0.000 0.981 250 S CB -0.189 62.999 63.200 -0.019 0.000 0.818 250 S HN 0.646 nan 8.310 nan 0.000 0.472 251 Q N 1.160 120.953 119.800 -0.011 0.000 2.049 251 Q HA 0.034 4.399 4.340 0.041 0.000 0.198 251 Q C 1.919 177.915 176.000 -0.006 0.000 0.971 251 Q CA 1.436 57.235 55.803 -0.005 0.000 0.833 251 Q CB -0.359 28.380 28.738 0.001 0.000 0.896 251 Q HN 0.515 nan 8.270 nan 0.000 0.434 252 I N 0.843 121.408 120.570 -0.007 0.000 2.286 252 I HA -0.245 3.950 4.170 0.041 0.000 0.248 252 I C 2.307 178.414 176.117 -0.016 0.000 1.115 252 I CA 1.466 62.760 61.300 -0.010 0.000 1.392 252 I CB -0.248 37.745 38.000 -0.011 0.000 1.065 252 I HN 0.385 nan 8.210 nan 0.000 0.418 253 S N -0.367 115.322 115.700 -0.018 0.000 2.470 253 S HA 0.208 4.703 4.470 0.041 0.000 0.222 253 S C 1.751 176.340 174.600 -0.018 0.000 1.024 253 S CA 0.453 58.640 58.200 -0.022 0.000 0.931 253 S CB 0.596 63.781 63.200 -0.026 0.000 0.791 253 S HN 0.548 nan 8.310 nan 0.000 0.513 254 G N 0.788 109.580 108.800 -0.014 0.000 2.157 254 G HA2 -0.202 3.783 3.960 0.041 0.000 0.248 254 G HA3 -0.202 3.783 3.960 0.041 0.000 0.248 254 G C -0.139 174.755 174.900 -0.010 0.000 0.979 254 G CA 0.218 45.312 45.100 -0.011 0.000 0.650 254 G HN 0.563 nan 8.290 nan 0.000 0.529 255 I N 1.019 121.582 120.570 -0.011 0.000 2.433 255 I HA 0.623 4.818 4.170 0.041 0.000 0.292 255 I C 0.576 176.687 176.117 -0.011 0.000 1.001 255 I CA -0.205 61.089 61.300 -0.009 0.000 1.119 255 I CB 1.786 39.781 38.000 -0.008 0.000 1.289 255 I HN 0.227 nan 8.210 nan 0.000 0.438 256 E N 7.788 127.982 120.200 -0.009 0.000 2.081 256 E HA 0.394 4.769 4.350 0.041 0.000 0.270 256 E C -0.673 175.919 176.600 -0.013 0.000 1.180 256 E CA -0.056 56.337 56.400 -0.011 0.000 0.926 256 E CB -0.167 29.527 29.700 -0.010 0.000 1.035 256 E HN 0.534 nan 8.360 nan 0.000 0.418 257 L N 1.628 122.841 121.223 -0.016 0.000 2.387 257 L HA 0.706 5.071 4.340 0.041 0.000 0.266 257 L C 0.587 177.445 176.870 -0.020 0.000 1.059 257 L CA -0.983 53.846 54.840 -0.018 0.000 0.801 257 L CB 1.617 43.662 42.059 -0.023 0.000 1.223 257 L HN 0.745 nan 8.230 nan 0.000 0.456 258 K N 0.410 120.797 120.400 -0.021 0.000 2.508 258 K HA 0.806 5.151 4.320 0.041 0.000 0.260 258 K C -1.274 175.311 176.600 -0.024 0.000 0.949 258 K CA -0.908 55.366 56.287 -0.022 0.000 0.834 258 K CB 1.883 34.371 32.500 -0.020 0.000 1.365 258 K HN 0.503 nan 8.250 nan 0.000 0.437 259 A N 1.541 124.348 122.820 -0.022 0.000 2.477 259 A HA 0.214 4.559 4.320 0.041 0.000 0.246 259 A C 0.310 177.878 177.584 -0.027 0.000 1.078 259 A CA 0.009 52.032 52.037 -0.024 0.000 0.770 259 A CB 0.323 19.314 19.000 -0.015 0.000 1.011 259 A HN 0.713 nan 8.150 nan 0.000 0.494 260 T N 1.751 116.283 114.554 -0.036 0.000 2.855 260 T HA 0.324 4.699 4.350 0.041 0.000 0.314 260 T C 1.691 176.367 174.700 -0.040 0.000 1.077 260 T CA 0.565 62.636 62.100 -0.047 0.000 1.095 260 T CB 0.540 69.368 68.868 -0.066 0.000 0.987 260 T HN 0.879 nan 8.240 nan 0.000 0.546 261 G N 3.052 111.826 108.800 -0.044 0.000 2.433 261 G HA2 -0.087 3.897 3.960 0.041 0.000 0.216 261 G HA3 -0.087 3.897 3.960 0.041 0.000 0.216 261 G C 0.759 175.641 174.900 -0.029 0.000 1.186 261 G CA 0.323 45.404 45.100 -0.031 0.000 0.779 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 N N -0.073 118.597 118.700 -0.050 0.000 2.491 262 N HA 0.326 5.091 4.740 0.041 0.000 0.274 262 N C 0.797 176.264 175.510 -0.072 0.000 1.023 262 N CA -0.358 52.664 53.050 -0.046 0.000 0.902 262 N CB 1.854 40.315 38.487 -0.043 0.000 1.267 262 N HN 0.004 nan 8.380 nan 0.000 0.503 263 L N 2.652 123.846 121.223 -0.047 0.000 2.313 263 L HA 0.031 4.396 4.340 0.041 0.000 0.214 263 L C 1.962 178.803 176.870 -0.048 0.000 1.119 263 L CA 0.529 55.339 54.840 -0.051 0.000 0.809 263 L CB 0.156 42.196 42.059 -0.032 0.000 0.933 263 L HN 0.358 nan 8.230 nan 0.000 0.449 264 V N -0.312 119.589 119.914 -0.021 0.000 2.379 264 V HA -0.217 3.928 4.120 0.041 0.000 0.245 264 V C 2.573 178.642 176.094 -0.041 0.000 1.044 264 V CA 1.713 64.033 62.300 0.034 0.000 1.036 264 V CB -0.373 31.501 31.823 0.084 0.000 0.664 264 V HN 0.480 nan 8.190 nan 0.000 0.453 265 E N 0.894 120.987 120.200 -0.178 0.000 2.106 265 E HA -0.188 4.187 4.350 0.041 0.000 0.192 265 E C 2.176 178.284 176.600 -0.820 0.000 0.984 265 E CA 1.567 57.626 56.400 -0.569 0.000 0.806 265 E CB -0.096 29.398 29.700 -0.344 0.000 0.750 265 E HN 0.506 nan 8.360 nan 0.000 0.458 266 A N 0.524 123.102 122.820 -0.404 0.000 1.969 266 A HA -0.100 4.245 4.320 0.041 0.000 0.218 266 A C 2.406 179.854 177.584 -0.226 0.000 1.169 266 A CA 1.595 53.455 52.037 -0.295 0.000 0.635 266 A CB -0.663 18.242 19.000 -0.159 0.000 0.810 266 A HN 0.312 nan 8.150 nan 0.000 0.445 267 S N -0.912 114.686 115.700 -0.169 0.000 2.400 267 S HA -0.144 4.351 4.470 0.041 0.000 0.232 267 S C 1.571 176.226 174.600 0.092 0.000 1.025 267 S CA 1.662 59.863 58.200 0.001 0.000 0.993 267 S CB -0.356 62.901 63.200 0.094 0.000 0.808 267 S HN 0.912 nan 8.310 nan 0.000 0.478 268 W N -0.065 121.263 121.300 0.046 0.000 2.868 268 W HA 0.406 5.092 4.660 0.043 0.000 0.320 268 W C -0.368 176.197 176.519 0.076 0.000 1.076 268 W CA -0.367 57.012 57.345 0.057 0.000 1.576 268 W CB -0.732 28.753 29.460 0.042 0.000 1.030 268 W HN 0.115 nan 8.180 nan 0.000 0.558 269 D N 3.007 123.217 120.400 -0.316 0.000 2.358 269 D HA 0.089 4.753 4.640 0.041 0.000 0.258 269 D C 1.213 177.514 176.300 0.001 0.000 1.223 269 D CA 0.981 54.837 54.000 -0.241 0.000 0.886 269 D CB 1.535 42.043 40.800 -0.487 0.000 1.120 269 D HN 0.057 nan 8.370 nan 0.000 0.482 270 T N -0.184 114.464 114.554 0.156 0.000 3.044 270 T HA 0.232 4.607 4.350 0.041 0.000 0.260 270 T C 1.899 176.688 174.700 0.150 0.000 1.019 270 T CA 0.083 62.353 62.100 0.285 0.000 0.921 270 T CB 0.403 69.541 68.868 0.451 0.000 1.053 270 T HN 0.283 nan 8.240 nan 0.000 0.533 271 G N 2.274 111.106 108.800 0.053 0.000 2.556 271 G HA2 -0.219 3.766 3.960 0.041 0.000 0.220 271 G HA3 -0.219 3.766 3.960 0.041 0.000 0.220 271 G C 1.810 176.691 174.900 -0.032 0.000 1.156 271 G CA 1.108 46.223 45.100 0.025 0.000 0.766 271 G HN 0.733 nan 8.290 nan 0.000 0.583 272 A N 0.423 123.133 122.820 -0.184 0.000 1.948 272 A HA 0.041 4.386 4.320 0.041 0.000 0.220 272 A C 2.171 179.753 177.584 -0.005 0.000 1.177 272 A CA 1.856 53.761 52.037 -0.220 0.000 0.636 272 A CB -0.574 18.226 19.000 -0.333 0.000 0.815 272 A HN 0.327 nan 8.150 nan 0.000 0.449 273 F N -0.195 119.952 119.950 0.329 0.000 2.171 273 F HA -0.114 4.433 4.527 0.035 0.000 0.300 273 F C 2.390 178.352 175.800 0.271 0.000 1.090 273 F CA 0.973 59.184 58.000 0.352 0.000 1.293 273 F CB -1.151 37.977 39.000 0.213 0.000 1.013 273 F HN 0.029 nan 8.300 nan 0.000 0.486 274 V N -0.507 119.603 119.914 0.327 0.000 2.307 274 V HA -0.273 3.872 4.120 0.041 0.000 0.245 274 V C 2.341 178.532 176.094 0.161 0.000 1.045 274 V CA 2.367 64.797 62.300 0.217 0.000 1.024 274 V CB -1.125 30.792 31.823 0.156 0.000 0.651 274 V HN 0.355 nan 8.190 nan 0.000 0.449 275 T N 0.110 114.734 114.554 0.118 0.000 2.665 275 T HA -0.251 4.124 4.350 0.041 0.000 0.268 275 T C 1.654 176.415 174.700 0.101 0.000 1.035 275 T CA 2.357 64.497 62.100 0.066 0.000 1.151 275 T CB -0.412 68.455 68.868 -0.002 0.000 0.862 275 T HN 0.434 nan 8.240 nan 0.000 0.438 276 F N 1.519 121.478 119.950 0.015 0.000 2.051 276 F HA -0.085 4.464 4.527 0.038 0.000 0.296 276 F C 2.812 178.673 175.800 0.103 0.000 1.122 276 F CA 1.621 59.653 58.000 0.053 0.000 1.201 276 F CB -0.966 38.150 39.000 0.195 0.000 0.978 276 F HN 0.089 nan 8.300 nan 0.000 0.472 277 S N 0.024 115.858 115.700 0.224 0.000 2.400 277 S HA -0.246 4.249 4.470 0.041 0.000 0.234 277 S C 2.341 176.916 174.600 -0.042 0.000 1.049 277 S CA 1.703 59.939 58.200 0.061 0.000 1.039 277 S CB -1.350 61.945 63.200 0.158 0.000 0.856 277 S HN 0.632 nan 8.310 nan 0.000 0.465 278 G N 0.722 109.514 108.800 -0.013 0.000 2.442 278 G HA2 -0.182 3.803 3.960 0.041 0.000 0.219 278 G HA3 -0.182 3.803 3.960 0.041 0.000 0.219 278 G C 1.368 176.215 174.900 -0.088 0.000 1.141 278 G CA 1.002 46.082 45.100 -0.033 0.000 0.763 278 G HN 0.604 nan 8.290 nan 0.000 0.554 279 I N 0.389 120.861 120.570 -0.164 0.000 2.353 279 I HA 0.056 4.251 4.170 0.041 0.000 0.248 279 I C 2.488 178.471 176.117 -0.222 0.000 1.119 279 I CA 0.747 61.931 61.300 -0.194 0.000 1.417 279 I CB -0.078 37.792 38.000 -0.216 0.000 1.078 279 I HN 0.131 nan 8.210 nan 0.000 0.421 280 L N 0.150 121.191 121.223 -0.304 0.000 2.017 280 L HA -0.166 4.199 4.340 0.041 0.000 0.208 280 L C 2.732 179.529 176.870 -0.122 0.000 1.073 280 L CA 1.228 55.936 54.840 -0.220 0.000 0.745 280 L CB -1.005 40.919 42.059 -0.225 0.000 0.894 280 L HN 0.212 nan 8.230 nan 0.000 0.432 281 R N 0.806 121.249 120.500 -0.094 0.000 2.103 281 R HA -0.215 4.150 4.340 0.041 0.000 0.242 281 R C 2.383 178.655 176.300 -0.048 0.000 1.142 281 R CA 1.814 57.884 56.100 -0.050 0.000 0.960 281 R CB -0.392 29.891 30.300 -0.029 0.000 0.858 281 R HN 0.353 nan 8.270 nan 0.000 0.439 282 R N 0.364 120.827 120.500 -0.062 0.000 2.062 282 R HA -0.071 4.294 4.340 0.041 0.000 0.229 282 R C 2.474 178.740 176.300 -0.056 0.000 1.128 282 R CA 1.416 57.485 56.100 -0.052 0.000 0.960 282 R CB -0.416 29.851 30.300 -0.054 0.000 0.855 282 R HN 0.226 nan 8.270 nan 0.000 0.432 283 I N 1.415 121.941 120.570 -0.073 0.000 2.118 283 I HA -0.326 3.869 4.170 0.041 0.000 0.241 283 I C 2.708 178.786 176.117 -0.066 0.000 1.070 283 I CA 1.683 62.941 61.300 -0.070 0.000 1.327 283 I CB -0.542 37.409 38.000 -0.082 0.000 1.034 283 I HN 0.318 nan 8.210 nan 0.000 0.405 284 A N 0.380 123.159 122.820 -0.067 0.000 1.908 284 A HA -0.181 4.164 4.320 0.041 0.000 0.218 284 A C 2.432 179.981 177.584 -0.058 0.000 1.181 284 A CA 2.094 54.090 52.037 -0.069 0.000 0.627 284 A CB -1.084 17.882 19.000 -0.057 0.000 0.818 284 A HN 0.272 nan 8.150 nan 0.000 0.445 285 V N 0.001 119.894 119.914 -0.035 0.000 2.287 285 V HA -0.315 3.830 4.120 0.041 0.000 0.248 285 V C 2.477 178.551 176.094 -0.033 0.000 1.053 285 V CA 2.527 64.816 62.300 -0.019 0.000 1.027 285 V CB -0.725 31.093 31.823 -0.008 0.000 0.646 285 V HN 0.575 nan 8.190 nan 0.000 0.447 286 K N -0.566 119.808 120.400 -0.043 0.000 2.057 286 K HA -0.143 4.202 4.320 0.041 0.000 0.206 286 K C 2.075 178.625 176.600 -0.083 0.000 1.050 286 K CA 1.152 57.408 56.287 -0.051 0.000 0.935 286 K CB -0.382 32.091 32.500 -0.044 0.000 0.715 286 K HN 0.200 nan 8.250 nan 0.000 0.439 287 L N 1.065 122.235 121.223 -0.088 0.000 2.017 287 L HA -0.166 4.199 4.340 0.041 0.000 0.208 287 L C 2.358 179.145 176.870 -0.138 0.000 1.073 287 L CA 1.713 56.487 54.840 -0.110 0.000 0.745 287 L CB -0.920 41.082 42.059 -0.094 0.000 0.894 287 L HN 0.091 nan 8.230 nan 0.000 0.432 288 S N -0.876 114.747 115.700 -0.129 0.000 2.382 288 S HA -0.258 4.237 4.470 0.041 0.000 0.228 288 S C 2.124 176.665 174.600 -0.097 0.000 1.027 288 S CA 1.612 59.728 58.200 -0.140 0.000 0.991 288 S CB -0.246 62.871 63.200 -0.138 0.000 0.823 288 S HN 0.516 nan 8.310 nan 0.000 0.469 289 K N 1.167 121.519 120.400 -0.079 0.000 2.057 289 K HA -0.015 4.330 4.320 0.041 0.000 0.207 289 K C 1.835 178.350 176.600 -0.142 0.000 1.049 289 K CA 1.868 58.113 56.287 -0.069 0.000 0.931 289 K CB -0.525 31.950 32.500 -0.041 0.000 0.714 289 K HN 0.497 nan 8.250 nan 0.000 0.440 290 I N 0.828 121.246 120.570 -0.253 0.000 2.163 290 I HA -0.227 3.968 4.170 0.041 0.000 0.240 290 I C 2.516 178.400 176.117 -0.388 0.000 1.081 290 I CA 1.143 62.118 61.300 -0.540 0.000 1.353 290 I CB -0.648 36.929 38.000 -0.705 0.000 1.054 290 I HN 0.353 nan 8.210 nan 0.000 0.407 291 A N 1.367 124.047 122.820 -0.235 0.000 1.884 291 A HA -0.290 4.055 4.320 0.041 0.000 0.219 291 A C 2.056 179.576 177.584 -0.106 0.000 1.197 291 A CA 2.469 54.418 52.037 -0.148 0.000 0.637 291 A CB -0.942 17.982 19.000 -0.127 0.000 0.827 291 A HN 0.450 nan 8.150 nan 0.000 0.450 292 N N 0.477 119.124 118.700 -0.088 0.000 2.094 292 N HA -0.149 4.616 4.740 0.041 0.000 0.191 292 N C 1.231 176.723 175.510 -0.030 0.000 1.023 292 N CA 1.681 54.709 53.050 -0.038 0.000 0.857 292 N CB -0.612 37.867 38.487 -0.013 0.000 1.013 292 N HN 0.494 nan 8.380 nan 0.000 0.426 293 D N 0.563 120.929 120.400 -0.057 0.000 2.123 293 D HA -0.083 4.582 4.640 0.041 0.000 0.196 293 D C 2.107 178.414 176.300 0.012 0.000 0.992 293 D CA 0.582 54.580 54.000 -0.003 0.000 0.833 293 D CB -0.342 40.489 40.800 0.051 0.000 0.954 293 D HN 0.251 nan 8.370 nan 0.000 0.455 294 L N 0.168 121.363 121.223 -0.046 0.000 2.093 294 L HA -0.087 4.278 4.340 0.041 0.000 0.208 294 L C 2.476 179.369 176.870 0.039 0.000 1.085 294 L CA 0.978 55.831 54.840 0.022 0.000 0.755 294 L CB -0.257 41.806 42.059 0.007 0.000 0.904 294 L HN -0.027 nan 8.230 nan 0.000 0.435 295 R N -0.438 120.070 120.500 0.014 0.000 2.115 295 R HA -0.125 4.239 4.340 0.041 0.000 0.226 295 R C 2.169 178.486 176.300 0.028 0.000 1.100 295 R CA 0.902 57.014 56.100 0.021 0.000 0.980 295 R CB -0.311 29.996 30.300 0.012 0.000 0.875 295 R HN 0.188 nan 8.270 nan 0.000 0.445 296 L N 0.884 122.125 121.223 0.029 0.000 2.044 296 L HA -0.047 4.318 4.340 0.041 0.000 0.205 296 L C 1.900 178.794 176.870 0.040 0.000 1.075 296 L CA 1.556 56.415 54.840 0.032 0.000 0.747 296 L CB -0.261 41.817 42.059 0.031 0.000 0.903 296 L HN 0.102 nan 8.230 nan 0.000 0.435 297 L N -0.766 120.492 121.223 0.059 0.000 2.376 297 L HA -0.079 4.286 4.340 0.041 0.000 0.219 297 L C 2.036 178.939 176.870 0.055 0.000 1.133 297 L CA 1.100 55.980 54.840 0.068 0.000 0.816 297 L CB -0.469 41.661 42.059 0.117 0.000 0.933 297 L HN 0.475 nan 8.230 nan 0.000 0.449 298 S N -1.983 113.750 115.700 0.054 0.000 2.556 298 S HA 0.052 4.547 4.470 0.041 0.000 0.216 298 S C 0.906 175.524 174.600 0.030 0.000 0.970 298 S CA -0.318 57.909 58.200 0.045 0.000 0.912 298 S CB -0.243 62.990 63.200 0.055 0.000 0.790 298 S HN 0.345 nan 8.310 nan 0.000 0.504 299 S N 0.750 116.466 115.700 0.027 0.000 2.558 299 S HA 0.624 5.119 4.470 0.041 0.000 0.288 299 S C 0.741 175.350 174.600 0.015 0.000 1.318 299 S CA 0.168 58.380 58.200 0.020 0.000 1.056 299 S CB 0.541 63.752 63.200 0.018 0.000 0.853 299 S HN 1.332 nan 8.310 nan 0.000 0.505 300 G N 2.053 110.861 108.800 0.013 0.000 2.347 300 G HA2 0.214 4.199 3.960 0.041 0.000 0.224 300 G HA3 0.214 4.199 3.960 0.041 0.000 0.224 300 G C -2.306 172.600 174.900 0.010 0.000 1.318 300 G CA -0.171 44.935 45.100 0.010 0.000 1.016 300 G HN 0.604 nan 8.290 nan 0.000 0.469 301 P HA 0.120 nan 4.420 nan 0.000 0.225 301 P C 1.430 178.733 177.300 0.005 0.000 1.156 301 P CA 0.831 63.936 63.100 0.008 0.000 0.787 301 P CB 0.329 32.033 31.700 0.008 0.000 0.802 302 R N -0.667 119.836 120.500 0.005 0.000 2.191 302 R HA 0.254 4.619 4.340 0.041 0.000 0.196 302 R C 1.441 177.742 176.300 0.003 0.000 0.991 302 R CA 0.824 56.926 56.100 0.003 0.000 1.075 302 R CB 0.046 30.348 30.300 0.003 0.000 1.040 302 R HN -0.064 nan 8.270 nan 0.000 0.526 303 S N -0.324 115.378 115.700 0.004 0.000 2.741 303 S HA 0.425 4.920 4.470 0.041 0.000 0.247 303 S C 0.021 174.624 174.600 0.005 0.000 1.050 303 S CA -0.238 57.965 58.200 0.003 0.000 1.025 303 S CB 1.465 64.667 63.200 0.004 0.000 0.897 303 S HN 0.432 nan 8.310 nan 0.000 0.508 304 G N 0.491 109.294 108.800 0.006 0.000 3.119 304 G HA2 0.548 4.533 3.960 0.041 0.000 0.206 304 G HA3 0.548 4.533 3.960 0.041 0.000 0.206 304 G C 0.485 175.389 174.900 0.006 0.000 1.313 304 G CA -0.670 44.434 45.100 0.007 0.000 1.010 304 G HN 0.258 nan 8.290 nan 0.000 0.578 305 L N 0.484 121.712 121.223 0.008 0.000 2.240 305 L HA 0.165 4.530 4.340 0.041 0.000 0.211 305 L C 2.305 179.177 176.870 0.002 0.000 1.106 305 L CA 0.780 55.624 54.840 0.006 0.000 0.793 305 L CB -0.567 41.499 42.059 0.011 0.000 0.927 305 L HN 0.842 nan 8.230 nan 0.000 0.446 306 G N 0.635 109.438 108.800 0.005 0.000 2.269 306 G HA2 -0.336 3.649 3.960 0.041 0.000 0.277 306 G HA3 -0.336 3.649 3.960 0.041 0.000 0.277 306 G C 0.795 175.689 174.900 -0.011 0.000 1.008 306 G CA 0.948 46.048 45.100 0.000 0.000 0.774 306 G HN 0.517 nan 8.290 nan 0.000 0.511 307 E N -0.806 119.387 120.200 -0.011 0.000 2.158 307 E HA 0.174 4.549 4.350 0.041 0.000 0.191 307 E C 1.631 178.194 176.600 -0.062 0.000 0.982 307 E CA 1.117 57.497 56.400 -0.034 0.000 0.823 307 E CB 0.090 29.777 29.700 -0.021 0.000 0.766 307 E HN 0.916 nan 8.360 nan 0.000 0.468 308 I N -3.228 117.328 120.570 -0.024 0.000 3.264 308 I HA 0.547 4.742 4.170 0.041 0.000 0.315 308 I C -0.899 175.226 176.117 0.013 0.000 1.154 308 I CA -1.380 59.902 61.300 -0.031 0.000 0.962 308 I CB 2.326 40.339 38.000 0.021 0.000 1.265 308 I HN -0.347 nan 8.210 nan 0.000 0.463 309 R N 2.658 123.175 120.500 0.028 0.000 2.502 309 R HA 0.613 4.977 4.340 0.041 0.000 0.298 309 R C -1.811 174.531 176.300 0.070 0.000 1.018 309 R CA -0.599 55.526 56.100 0.042 0.000 0.899 309 R CB 1.595 31.911 30.300 0.026 0.000 1.181 309 R HN 0.721 nan 8.270 nan 0.000 0.444 310 L N 5.387 126.652 121.223 0.071 0.000 2.326 310 L HA 0.484 4.849 4.340 0.041 0.000 0.278 310 L C -1.683 175.221 176.870 0.056 0.000 1.092 310 L CA -2.179 52.707 54.840 0.078 0.000 0.810 310 L CB 0.676 42.778 42.059 0.071 0.000 1.153 310 L HN 0.434 nan 8.230 nan 0.000 0.439 311 P HA -0.031 nan 4.420 nan 0.000 0.263 311 P C -0.641 176.677 177.300 0.030 0.000 1.175 311 P CA -0.127 62.997 63.100 0.039 0.000 0.761 311 P CB 0.543 32.264 31.700 0.035 0.000 0.794 312 A N 3.300 126.135 122.820 0.025 0.000 2.350 312 A HA 0.340 4.685 4.320 0.041 0.000 0.293 312 A C 1.247 178.840 177.584 0.016 0.000 1.231 312 A CA -0.330 51.719 52.037 0.020 0.000 0.883 312 A CB -0.193 18.818 19.000 0.018 0.000 1.133 312 A HN 0.458 nan 8.150 nan 0.000 0.533 313 V N -0.253 119.669 119.914 0.014 0.000 2.922 313 V HA 0.125 4.270 4.120 0.041 0.000 0.242 313 V C 0.636 176.736 176.094 0.010 0.000 1.094 313 V CA 0.220 62.526 62.300 0.011 0.000 1.106 313 V CB -0.808 31.020 31.823 0.009 0.000 0.799 313 V HN 0.625 nan 8.190 nan 0.000 0.474 314 Q N 1.709 121.516 119.800 0.010 0.000 2.306 314 Q HA 0.489 4.854 4.340 0.041 0.000 0.241 314 Q C -2.394 173.612 176.000 0.010 0.000 0.948 314 Q CA -1.997 53.812 55.803 0.010 0.000 0.886 314 Q CB 0.580 29.324 28.738 0.010 0.000 1.227 314 Q HN 0.383 nan 8.270 nan 0.000 0.457 315 P HA 0.221 nan 4.420 nan 0.000 0.274 315 P C -0.225 177.081 177.300 0.010 0.000 1.231 315 P CA -0.287 62.819 63.100 0.009 0.000 0.790 315 P CB 0.571 32.276 31.700 0.008 0.000 0.951 316 G N 0.444 109.250 108.800 0.010 0.000 2.562 316 G HA2 0.263 4.248 3.960 0.041 0.000 0.275 316 G HA3 0.263 4.248 3.960 0.041 0.000 0.275 316 G C -0.273 174.632 174.900 0.009 0.000 1.196 316 G CA -0.421 44.685 45.100 0.010 0.000 0.908 316 G HN 0.488 nan 8.290 nan 0.000 0.524 317 S N -0.797 114.908 115.700 0.008 0.000 2.509 317 S HA 0.126 4.620 4.470 0.041 0.000 0.287 317 S C 1.752 176.357 174.600 0.007 0.000 1.248 317 S CA 0.060 58.265 58.200 0.008 0.000 1.089 317 S CB 0.218 63.422 63.200 0.008 0.000 0.900 317 S HN 0.724 nan 8.310 nan 0.000 0.496 318 S N 4.851 120.555 115.700 0.007 0.000 2.481 318 S HA -0.035 4.460 4.470 0.041 0.000 0.231 318 S C 1.475 176.078 174.600 0.006 0.000 0.996 318 S CA 0.289 58.492 58.200 0.006 0.000 0.942 318 S CB -0.363 62.841 63.200 0.006 0.000 0.768 318 S HN 0.807 nan 8.310 nan 0.000 0.520 319 I N 0.284 120.857 120.570 0.006 0.000 3.444 319 I HA 0.224 4.419 4.170 0.041 0.000 0.287 319 I C 0.303 176.424 176.117 0.006 0.000 1.302 319 I CA 0.672 61.975 61.300 0.005 0.000 1.368 319 I CB 0.061 38.064 38.000 0.005 0.000 1.048 319 I HN 0.217 nan 8.210 nan 0.000 0.487 320 M N 2.266 121.870 119.600 0.006 0.000 2.850 320 M HA 0.338 4.843 4.480 0.041 0.000 0.288 320 M C -2.639 173.666 176.300 0.007 0.000 1.450 320 M CA -1.563 53.741 55.300 0.007 0.000 0.555 320 M CB 0.638 33.242 32.600 0.007 0.000 1.507 320 M HN -0.185 nan 8.290 nan 0.000 0.415 321 P HA 0.170 nan 4.420 nan 0.000 0.265 321 P C 1.011 178.316 177.300 0.008 0.000 1.187 321 P CA 1.176 64.281 63.100 0.007 0.000 0.766 321 P CB 0.681 32.385 31.700 0.007 0.000 0.820 322 G N 1.433 110.239 108.800 0.009 0.000 2.199 322 G HA2 -0.264 3.721 3.960 0.041 0.000 0.254 322 G HA3 -0.264 3.721 3.960 0.041 0.000 0.254 322 G C 0.259 175.165 174.900 0.011 0.000 0.982 322 G CA 0.153 45.259 45.100 0.010 0.000 0.632 322 G HN 0.740 nan 8.290 nan 0.000 0.529 323 K N 0.818 121.224 120.400 0.010 0.000 2.349 323 K HA 0.496 4.841 4.320 0.041 0.000 0.289 323 K C -0.503 176.105 176.600 0.013 0.000 1.064 323 K CA -0.247 56.047 56.287 0.011 0.000 0.947 323 K CB 0.692 33.198 32.500 0.010 0.000 1.007 323 K HN 0.070 nan 8.250 nan 0.000 0.478 324 V N 5.602 125.525 119.914 0.015 0.000 2.380 324 V HA 0.135 4.280 4.120 0.041 0.000 0.286 324 V C -0.446 175.659 176.094 0.018 0.000 1.015 324 V CA -1.183 61.127 62.300 0.017 0.000 0.834 324 V CB 1.214 33.049 31.823 0.021 0.000 1.009 324 V HN 0.781 nan 8.190 nan 0.000 0.428 325 N N 6.386 125.096 118.700 0.016 0.000 2.497 325 N HA 0.207 4.972 4.740 0.041 0.000 0.268 325 N C -2.229 173.291 175.510 0.017 0.000 1.171 325 N CA -1.097 51.963 53.050 0.016 0.000 0.948 325 N CB 1.409 39.904 38.487 0.014 0.000 1.069 325 N HN 0.381 nan 8.380 nan 0.000 0.460 326 P HA 0.060 nan 4.420 nan 0.000 0.226 326 P C 1.047 178.353 177.300 0.011 0.000 1.783 326 P CA -0.065 63.046 63.100 0.018 0.000 0.980 326 P CB 0.060 31.771 31.700 0.020 0.000 1.967 327 V N 1.560 121.480 119.914 0.010 0.000 2.392 327 V HA -0.222 3.923 4.120 0.041 0.000 0.249 327 V C 2.164 178.258 176.094 -0.001 0.000 1.059 327 V CA 1.659 63.963 62.300 0.006 0.000 1.051 327 V CB -0.493 31.334 31.823 0.008 0.000 0.658 327 V HN 0.242 nan 8.190 nan 0.000 0.455 328 I N 0.258 120.826 120.570 -0.002 0.000 2.233 328 I HA -0.062 4.133 4.170 0.041 0.000 0.243 328 I C -0.026 176.077 176.117 -0.025 0.000 1.093 328 I CA 1.421 62.714 61.300 -0.012 0.000 1.380 328 I CB -2.780 35.214 38.000 -0.010 0.000 1.067 328 I HN 0.355 nan 8.210 nan 0.000 0.413 329 P HA -0.135 nan 4.420 nan 0.000 0.218 329 P C 1.477 178.747 177.300 -0.050 0.000 1.149 329 P CA 1.378 64.454 63.100 -0.040 0.000 0.817 329 P CB -0.056 31.626 31.700 -0.030 0.000 0.785 330 E N -0.070 120.113 120.200 -0.027 0.000 2.077 330 E HA -0.164 4.211 4.350 0.041 0.000 0.193 330 E C 2.215 178.792 176.600 -0.039 0.000 0.989 330 E CA 1.762 58.149 56.400 -0.021 0.000 0.800 330 E CB -0.497 29.205 29.700 0.004 0.000 0.746 330 E HN 0.321 nan 8.360 nan 0.000 0.452 331 S N 0.621 116.300 115.700 -0.035 0.000 2.368 331 S HA -0.133 4.362 4.470 0.041 0.000 0.225 331 S C 2.240 176.798 174.600 -0.071 0.000 1.030 331 S CA 1.200 59.377 58.200 -0.038 0.000 0.999 331 S CB -0.525 62.661 63.200 -0.024 0.000 0.844 331 S HN 0.083 nan 8.310 nan 0.000 0.459 332 V N 2.989 122.853 119.914 -0.083 0.000 2.295 332 V HA -0.215 3.930 4.120 0.041 0.000 0.246 332 V C 2.496 178.470 176.094 -0.199 0.000 1.049 332 V CA 2.297 64.528 62.300 -0.116 0.000 1.024 332 V CB -1.561 30.201 31.823 -0.102 0.000 0.648 332 V HN 0.545 nan 8.190 nan 0.000 0.447 333 N N -0.235 118.327 118.700 -0.229 0.000 2.094 333 N HA -0.260 4.505 4.740 0.041 0.000 0.191 333 N C 1.963 177.088 175.510 -0.642 0.000 1.023 333 N CA 1.628 54.407 53.050 -0.451 0.000 0.857 333 N CB -0.184 38.130 38.487 -0.290 0.000 1.013 333 N HN 0.594 nan 8.380 nan 0.000 0.426 334 Q N -0.116 119.522 119.800 -0.270 0.000 2.123 334 Q HA -0.039 4.326 4.340 0.041 0.000 0.199 334 Q C 2.076 178.012 176.000 -0.108 0.000 0.966 334 Q CA 0.774 56.510 55.803 -0.111 0.000 0.845 334 Q CB 0.122 28.863 28.738 0.006 0.000 0.907 334 Q HN 0.232 nan 8.270 nan 0.000 0.439 335 V N 0.258 120.095 119.914 -0.130 0.000 2.295 335 V HA -0.332 3.813 4.120 0.041 0.000 0.246 335 V C 2.296 178.319 176.094 -0.119 0.000 1.049 335 V CA 1.600 63.843 62.300 -0.094 0.000 1.024 335 V CB -0.441 31.331 31.823 -0.084 0.000 0.648 335 V HN 0.523 nan 8.190 nan 0.000 0.447 336 C N -0.811 118.355 119.300 -0.223 0.000 2.432 336 C HA -0.162 4.323 4.460 0.041 0.000 0.277 336 C C 2.575 177.499 174.990 -0.110 0.000 1.249 336 C CA 0.561 59.455 59.018 -0.206 0.000 1.725 336 C CB -1.211 26.356 27.740 -0.288 0.000 2.028 336 C HN 0.607 nan 8.230 nan 0.000 0.477 337 Y N 1.218 121.507 120.300 -0.017 0.000 2.151 337 Y HA -0.234 4.340 4.550 0.040 0.000 0.284 337 Y C 2.584 178.477 175.900 -0.010 0.000 1.166 337 Y CA 1.718 59.810 58.100 -0.013 0.000 1.163 337 Y CB -1.379 37.075 38.460 -0.009 0.000 0.974 337 Y HN 0.349 nan 8.280 nan 0.000 0.511 338 Q N 0.276 120.144 119.800 0.113 0.000 2.079 338 Q HA -0.100 4.265 4.340 0.041 0.000 0.200 338 Q C 2.251 178.272 176.000 0.035 0.000 0.974 338 Q CA 1.603 57.445 55.803 0.065 0.000 0.840 338 Q CB -0.523 28.235 28.738 0.033 0.000 0.898 338 Q HN 0.315 nan 8.270 nan 0.000 0.430 339 V N 0.242 120.163 119.914 0.012 0.000 2.490 339 V HA -0.225 3.920 4.120 0.041 0.000 0.250 339 V C 2.081 178.181 176.094 0.011 0.000 1.061 339 V CA 1.633 63.929 62.300 -0.007 0.000 1.064 339 V CB -0.428 31.376 31.823 -0.031 0.000 0.670 339 V HN 0.376 nan 8.190 nan 0.000 0.461 340 I N 0.355 120.948 120.570 0.038 0.000 2.286 340 I HA -0.065 4.130 4.170 0.041 0.000 0.245 340 I C 2.579 178.721 176.117 0.042 0.000 1.104 340 I CA 1.428 62.755 61.300 0.044 0.000 1.397 340 I CB -0.831 37.213 38.000 0.073 0.000 1.072 340 I HN 0.363 nan 8.210 nan 0.000 0.417 341 G N 0.911 109.742 108.800 0.051 0.000 2.421 341 G HA2 -0.274 3.711 3.960 0.041 0.000 0.216 341 G HA3 -0.274 3.711 3.960 0.041 0.000 0.216 341 G C 1.413 176.335 174.900 0.037 0.000 1.171 341 G CA 0.848 45.973 45.100 0.042 0.000 0.775 341 G HN 0.278 nan 8.290 nan 0.000 0.543 342 N N 0.776 119.494 118.700 0.031 0.000 2.137 342 N HA -0.110 4.654 4.740 0.041 0.000 0.190 342 N C 1.789 177.314 175.510 0.025 0.000 1.017 342 N CA 1.516 54.578 53.050 0.020 0.000 0.859 342 N CB -0.374 38.108 38.487 -0.007 0.000 1.002 342 N HN 0.469 nan 8.380 nan 0.000 0.428 343 D N -0.263 120.153 120.400 0.026 0.000 2.123 343 D HA -0.082 4.583 4.640 0.041 0.000 0.200 343 D C 1.896 178.221 176.300 0.042 0.000 0.976 343 D CA 0.326 54.347 54.000 0.035 0.000 0.831 343 D CB -0.144 40.671 40.800 0.024 0.000 0.974 343 D HN 0.084 nan 8.370 nan 0.000 0.469 344 L N 0.501 121.746 121.223 0.036 0.000 2.042 344 L HA -0.125 4.240 4.340 0.041 0.000 0.210 344 L C 2.185 179.076 176.870 0.035 0.000 1.076 344 L CA 2.009 56.869 54.840 0.034 0.000 0.749 344 L CB -1.259 40.816 42.059 0.026 0.000 0.893 344 L HN 0.045 nan 8.230 nan 0.000 0.432 345 T N -0.963 113.612 114.554 0.036 0.000 2.699 345 T HA -0.204 4.171 4.350 0.041 0.000 0.268 345 T C 1.950 176.671 174.700 0.035 0.000 1.036 345 T CA 1.828 63.949 62.100 0.035 0.000 1.147 345 T CB -0.434 68.464 68.868 0.051 0.000 0.862 345 T HN 0.249 nan 8.240 nan 0.000 0.446 346 V N 1.145 121.090 119.914 0.051 0.000 2.453 346 V HA -0.142 4.003 4.120 0.041 0.000 0.247 346 V C 2.754 178.904 176.094 0.094 0.000 1.048 346 V CA 1.832 64.177 62.300 0.075 0.000 1.049 346 V CB -1.024 30.859 31.823 0.100 0.000 0.672 346 V HN 0.510 nan 8.190 nan 0.000 0.457 347 T N 0.165 114.766 114.554 0.079 0.000 2.746 347 T HA -0.185 4.190 4.350 0.041 0.000 0.267 347 T C 1.962 176.703 174.700 0.068 0.000 1.039 347 T CA 1.550 63.698 62.100 0.080 0.000 1.142 347 T CB -0.254 68.651 68.868 0.062 0.000 0.866 347 T HN 0.228 nan 8.240 nan 0.000 0.444 348 M N 1.093 120.716 119.600 0.038 0.000 2.099 348 M HA 0.029 4.534 4.480 0.041 0.000 0.262 348 M C 2.894 179.199 176.300 0.008 0.000 1.067 348 M CA 1.525 56.831 55.300 0.009 0.000 1.124 348 M CB -1.404 31.178 32.600 -0.030 0.000 1.353 348 M HN 0.303 nan 8.290 nan 0.000 0.410 349 A N 0.509 123.334 122.820 0.009 0.000 1.902 349 A HA 0.004 4.349 4.320 0.041 0.000 0.217 349 A C 2.477 180.181 177.584 0.200 0.000 1.181 349 A CA 2.169 54.233 52.037 0.045 0.000 0.623 349 A CB -0.930 18.109 19.000 0.066 0.000 0.818 349 A HN 0.489 nan 8.150 nan 0.000 0.443 350 A N -0.627 122.304 122.820 0.185 0.000 1.877 350 A HA -0.192 4.153 4.320 0.041 0.000 0.216 350 A C 2.032 179.744 177.584 0.212 0.000 1.186 350 A CA 1.731 53.907 52.037 0.232 0.000 0.620 350 A CB -0.526 18.610 19.000 0.227 0.000 0.822 350 A HN 0.506 nan 8.150 nan 0.000 0.443 351 E N 0.507 120.800 120.200 0.155 0.000 2.333 351 E HA -0.097 4.278 4.350 0.041 0.000 0.198 351 E C 1.011 177.694 176.600 0.138 0.000 1.007 351 E CA 1.073 57.549 56.400 0.127 0.000 0.845 351 E CB -0.102 29.648 29.700 0.084 0.000 0.766 351 E HN 0.516 nan 8.360 nan 0.000 0.507 352 S N -0.021 115.793 115.700 0.191 0.000 2.634 352 S HA 0.184 4.678 4.470 0.041 0.000 0.221 352 S C 0.555 175.328 174.600 0.290 0.000 0.952 352 S CA 0.140 58.485 58.200 0.243 0.000 0.930 352 S CB 0.633 63.988 63.200 0.259 0.000 0.780 352 S HN 0.268 nan 8.310 nan 0.000 0.498 353 G N 1.353 110.282 108.800 0.215 0.000 2.442 353 G HA2 0.388 4.373 3.960 0.041 0.000 0.249 353 G HA3 0.388 4.373 3.960 0.041 0.000 0.249 353 G C -0.553 174.369 174.900 0.037 0.000 1.263 353 G CA -0.361 44.828 45.100 0.147 0.000 0.846 353 G HN 0.377 nan 8.290 nan 0.000 0.555 354 Q N 1.430 121.225 119.800 -0.008 0.000 2.303 354 Q HA 0.496 4.861 4.340 0.041 0.000 0.267 354 Q C 0.444 176.380 176.000 -0.107 0.000 1.011 354 Q CA -0.656 55.110 55.803 -0.062 0.000 0.740 354 Q CB 1.982 30.705 28.738 -0.026 0.000 1.250 354 Q HN 0.594 nan 8.270 nan 0.000 0.458 355 L N 0.396 121.490 121.223 -0.215 0.000 5.895 355 L HA -0.463 3.902 4.340 0.041 0.000 0.053 355 L C 1.068 177.810 176.870 -0.212 0.000 2.741 355 L CA 1.122 55.820 54.840 -0.238 0.000 1.500 355 L CB -1.129 40.861 42.059 -0.115 0.000 2.928 355 L HN 0.578 nan 8.230 nan 0.000 1.023 356 Q N -0.100 119.683 119.800 -0.029 0.000 2.482 356 Q HA 0.387 4.752 4.340 0.041 0.000 0.209 356 Q C -0.396 175.720 176.000 0.194 0.000 0.961 356 Q CA 0.697 56.577 55.803 0.127 0.000 0.945 356 Q CB 0.236 29.033 28.738 0.098 0.000 1.012 356 Q HN 0.297 nan 8.270 nan 0.000 0.515 357 L N -0.440 120.857 121.223 0.124 0.000 2.465 357 L HA 0.454 4.819 4.340 0.041 0.000 0.257 357 L C -1.589 175.346 176.870 0.108 0.000 0.988 357 L CA -0.594 54.325 54.840 0.132 0.000 0.827 357 L CB 2.102 44.183 42.059 0.037 0.000 1.397 357 L HN -0.125 nan 8.230 nan 0.000 0.410 358 N N 2.040 120.823 118.700 0.139 0.000 2.422 358 N HA 0.409 5.174 4.740 0.041 0.000 0.266 358 N C 0.134 175.579 175.510 -0.108 0.000 1.007 358 N CA 0.364 53.455 53.050 0.069 0.000 0.941 358 N CB 2.158 40.770 38.487 0.209 0.000 1.115 358 N HN 0.792 nan 8.380 nan 0.000 0.492 359 A N 3.430 125.971 122.820 -0.465 0.000 2.238 359 A HA 0.106 4.451 4.320 0.041 0.000 0.208 359 A C 0.120 177.302 177.584 -0.670 0.000 1.177 359 A CA 0.465 52.083 52.037 -0.699 0.000 0.804 359 A CB -0.314 18.072 19.000 -1.023 0.000 0.823 359 A HN 0.596 nan 8.150 nan 0.000 0.482 360 F N -0.598 119.367 119.950 0.026 0.000 2.791 360 F HA 0.294 4.838 4.527 0.028 0.000 0.308 360 F C 1.299 177.090 175.800 -0.014 0.000 1.138 360 F CA -0.654 57.346 58.000 -0.001 0.000 1.294 360 F CB -0.107 38.902 39.000 0.016 0.000 0.975 360 F HN 0.186 nan 8.300 nan 0.000 0.512 361 E N 1.130 121.396 120.200 0.110 0.000 2.153 361 E HA -0.159 4.216 4.350 0.041 0.000 0.194 361 E C -0.668 175.968 176.600 0.060 0.000 0.988 361 E CA 1.333 57.759 56.400 0.043 0.000 0.811 361 E CB -0.734 29.031 29.700 0.109 0.000 0.746 361 E HN 0.307 nan 8.360 nan 0.000 0.466 362 P HA -0.163 nan 4.420 nan 0.000 0.216 362 P C 1.403 178.680 177.300 -0.037 0.000 1.153 362 P CA 0.805 63.945 63.100 0.067 0.000 0.848 362 P CB 0.066 31.721 31.700 -0.076 0.000 0.787 363 L N -0.930 120.263 121.223 -0.049 0.000 2.093 363 L HA -0.092 4.273 4.340 0.041 0.000 0.208 363 L C 2.160 179.008 176.870 -0.038 0.000 1.085 363 L CA 1.651 56.436 54.840 -0.092 0.000 0.755 363 L CB -1.089 40.948 42.059 -0.037 0.000 0.904 363 L HN -0.152 nan 8.230 nan 0.000 0.435 364 I N -1.786 118.755 120.570 -0.048 0.000 2.142 364 I HA -0.271 3.924 4.170 0.041 0.000 0.240 364 I C 2.489 178.505 176.117 -0.167 0.000 1.078 364 I CA 1.395 62.628 61.300 -0.111 0.000 1.343 364 I CB -0.461 37.404 38.000 -0.226 0.000 1.046 364 I HN 0.128 nan 8.210 nan 0.000 0.405 365 V N 0.111 119.896 119.914 -0.216 0.000 2.407 365 V HA -0.322 3.823 4.120 0.041 0.000 0.248 365 V C 2.343 178.387 176.094 -0.083 0.000 1.055 365 V CA 1.863 64.036 62.300 -0.211 0.000 1.049 365 V CB -0.492 31.177 31.823 -0.257 0.000 0.662 365 V HN 0.499 nan 8.190 nan 0.000 0.455 366 Y N 1.244 121.447 120.300 -0.162 0.000 2.224 366 Y HA -0.191 4.381 4.550 0.037 0.000 0.289 366 Y C 2.404 178.241 175.900 -0.105 0.000 1.146 366 Y CA 2.198 60.209 58.100 -0.148 0.000 1.182 366 Y CB -0.474 37.835 38.460 -0.252 0.000 0.983 366 Y HN 0.344 nan 8.280 nan 0.000 0.524 367 N N 0.247 118.793 118.700 -0.257 0.000 2.216 367 N HA -0.135 4.630 4.740 0.041 0.000 0.183 367 N C 1.907 177.298 175.510 -0.198 0.000 1.017 367 N CA 1.625 54.497 53.050 -0.297 0.000 0.861 367 N CB -0.053 38.374 38.487 -0.099 0.000 0.986 367 N HN 0.401 nan 8.380 nan 0.000 0.428 368 I N 1.469 121.981 120.570 -0.097 0.000 2.133 368 I HA -0.252 3.943 4.170 0.041 0.000 0.238 368 I C 2.282 178.393 176.117 -0.009 0.000 1.074 368 I CA 0.942 62.250 61.300 0.013 0.000 1.342 368 I CB -0.529 37.535 38.000 0.107 0.000 1.053 368 I HN 0.069 nan 8.210 nan 0.000 0.404 369 L N 0.345 121.533 121.223 -0.059 0.000 2.013 369 L HA -0.259 4.105 4.340 0.041 0.000 0.212 369 L C 2.774 179.588 176.870 -0.093 0.000 1.073 369 L CA 1.387 56.194 54.840 -0.055 0.000 0.753 369 L CB -0.754 41.273 42.059 -0.053 0.000 0.890 369 L HN 0.219 nan 8.230 nan 0.000 0.432 370 S N -0.478 115.091 115.700 -0.220 0.000 2.377 370 S HA -0.260 4.235 4.470 0.041 0.000 0.224 370 S C 2.203 176.735 174.600 -0.112 0.000 1.042 370 S CA 1.916 59.986 58.200 -0.215 0.000 1.086 370 S CB -0.398 62.572 63.200 -0.383 0.000 0.995 370 S HN 0.365 nan 8.310 nan 0.000 0.428 371 S N 1.159 116.798 115.700 -0.101 0.000 2.365 371 S HA -0.116 4.379 4.470 0.041 0.000 0.225 371 S C 1.942 176.524 174.600 -0.030 0.000 1.039 371 S CA 1.521 59.688 58.200 -0.056 0.000 1.033 371 S CB -0.411 62.764 63.200 -0.042 0.000 0.887 371 S HN 0.380 nan 8.310 nan 0.000 0.447 372 M N 0.386 119.986 119.600 -0.001 0.000 2.086 372 M HA -0.136 4.369 4.480 0.041 0.000 0.261 372 M C 2.433 178.739 176.300 0.010 0.000 1.067 372 M CA 1.472 56.789 55.300 0.028 0.000 1.116 372 M CB -0.317 32.333 32.600 0.084 0.000 1.348 372 M HN 0.195 nan 8.290 nan 0.000 0.407 373 R N 0.747 121.246 120.500 -0.002 0.000 2.073 373 R HA -0.132 4.233 4.340 0.041 0.000 0.234 373 R C 2.034 178.329 176.300 -0.008 0.000 1.134 373 R CA 1.402 57.501 56.100 -0.002 0.000 0.952 373 R CB -0.357 29.941 30.300 -0.003 0.000 0.850 373 R HN 0.346 nan 8.270 nan 0.000 0.433 374 L N 0.743 121.954 121.223 -0.019 0.000 1.990 374 L HA -0.260 4.105 4.340 0.041 0.000 0.213 374 L C 2.556 179.409 176.870 -0.028 0.000 1.072 374 L CA 1.498 56.324 54.840 -0.024 0.000 0.755 374 L CB -0.553 41.487 42.059 -0.032 0.000 0.889 374 L HN 0.277 nan 8.230 nan 0.000 0.432 375 L N -0.526 120.678 121.223 -0.032 0.000 2.042 375 L HA -0.189 4.176 4.340 0.041 0.000 0.210 375 L C 2.671 179.527 176.870 -0.024 0.000 1.076 375 L CA 1.467 56.286 54.840 -0.036 0.000 0.749 375 L CB -1.188 40.847 42.059 -0.040 0.000 0.893 375 L HN 0.371 nan 8.230 nan 0.000 0.432 376 G N -0.385 108.408 108.800 -0.011 0.000 2.446 376 G HA2 -0.261 3.724 3.960 0.041 0.000 0.217 376 G HA3 -0.261 3.724 3.960 0.041 0.000 0.217 376 G C 1.763 176.658 174.900 -0.008 0.000 1.168 376 G CA 0.648 45.747 45.100 -0.002 0.000 0.771 376 G HN 0.278 nan 8.290 nan 0.000 0.551 377 R N 0.281 120.774 120.500 -0.011 0.000 2.090 377 R HA 0.186 4.551 4.340 0.041 0.000 0.228 377 R C 3.033 179.320 176.300 -0.022 0.000 1.110 377 R CA 0.934 57.026 56.100 -0.013 0.000 0.973 377 R CB -0.279 30.016 30.300 -0.008 0.000 0.869 377 R HN 0.341 nan 8.270 nan 0.000 0.440 378 A N 0.946 123.748 122.820 -0.030 0.000 1.883 378 A HA -0.199 4.146 4.320 0.041 0.000 0.217 378 A C 2.144 179.701 177.584 -0.045 0.000 1.186 378 A CA 1.496 53.508 52.037 -0.041 0.000 0.624 378 A CB -0.427 18.541 19.000 -0.053 0.000 0.822 378 A HN 0.192 nan 8.150 nan 0.000 0.444 379 M N -0.820 118.755 119.600 -0.041 0.000 2.175 379 M HA -0.111 4.394 4.480 0.041 0.000 0.264 379 M C 2.226 178.495 176.300 -0.052 0.000 1.063 379 M CA 1.813 57.086 55.300 -0.045 0.000 1.119 379 M CB -0.642 31.939 32.600 -0.032 0.000 1.377 379 M HN 0.480 nan 8.290 nan 0.000 0.415 380 T N 0.618 115.150 114.554 -0.036 0.000 2.652 380 T HA -0.127 4.248 4.350 0.041 0.000 0.267 380 T C 1.603 176.278 174.700 -0.042 0.000 1.039 380 T CA 1.459 63.538 62.100 -0.034 0.000 1.153 380 T CB -0.470 68.387 68.868 -0.018 0.000 0.863 380 T HN 0.332 nan 8.240 nan 0.000 0.428 381 N N 1.199 119.877 118.700 -0.037 0.000 2.069 381 N HA -0.055 4.710 4.740 0.041 0.000 0.191 381 N C 1.789 177.269 175.510 -0.050 0.000 1.031 381 N CA 0.801 53.829 53.050 -0.037 0.000 0.852 381 N CB -0.754 37.716 38.487 -0.029 0.000 1.018 381 N HN 0.176 nan 8.380 nan 0.000 0.423 382 L N 1.101 122.285 121.223 -0.064 0.000 2.079 382 L HA -0.118 4.247 4.340 0.041 0.000 0.210 382 L C 2.089 178.878 176.870 -0.135 0.000 1.081 382 L CA 1.621 56.410 54.840 -0.086 0.000 0.752 382 L CB -0.866 41.139 42.059 -0.089 0.000 0.896 382 L HN 0.156 nan 8.230 nan 0.000 0.433 383 A N -1.006 121.724 122.820 -0.149 0.000 1.855 383 A HA -0.208 4.137 4.320 0.041 0.000 0.215 383 A C 2.225 179.746 177.584 -0.105 0.000 1.191 383 A CA 1.840 53.772 52.037 -0.175 0.000 0.613 383 A CB -0.587 18.326 19.000 -0.144 0.000 0.829 383 A HN 0.548 nan 8.150 nan 0.000 0.442 384 E N -0.954 119.206 120.200 -0.067 0.000 2.170 384 E HA -0.033 4.342 4.350 0.041 0.000 0.191 384 E C 2.005 178.588 176.600 -0.029 0.000 0.981 384 E CA 0.696 57.071 56.400 -0.042 0.000 0.830 384 E CB 0.035 29.717 29.700 -0.030 0.000 0.775 384 E HN 0.516 nan 8.360 nan 0.000 0.470 385 R N -1.036 119.447 120.500 -0.028 0.000 2.365 385 R HA 0.225 4.590 4.340 0.041 0.000 0.223 385 R C 1.402 177.698 176.300 -0.006 0.000 0.899 385 R CA 0.049 56.140 56.100 -0.014 0.000 1.059 385 R CB 0.494 30.787 30.300 -0.012 0.000 1.086 385 R HN 0.158 nan 8.270 nan 0.000 0.522 386 C N -1.275 118.016 119.300 -0.014 0.000 3.162 386 C HA 0.164 4.648 4.460 0.041 0.000 0.220 386 C C 2.327 177.332 174.990 0.026 0.000 2.475 386 C CA -0.089 58.935 59.018 0.011 0.000 1.361 386 C CB -0.108 27.637 27.740 0.007 0.000 1.251 386 C HN 0.123 nan 8.230 nan 0.000 0.734 387 V N 2.317 122.220 119.914 -0.018 0.000 2.317 387 V HA -0.217 3.928 4.120 0.041 0.000 0.251 387 V C 1.940 178.065 176.094 0.051 0.000 1.065 387 V CA 2.836 65.142 62.300 0.011 0.000 1.049 387 V CB -0.766 30.879 31.823 -0.297 0.000 0.651 387 V HN 0.600 nan 8.190 nan 0.000 0.450 388 D N 0.163 120.556 120.400 -0.011 0.000 2.309 388 D HA -0.051 4.614 4.640 0.041 0.000 0.212 388 D C 1.834 178.147 176.300 0.022 0.000 0.968 388 D CA 1.390 55.387 54.000 -0.005 0.000 0.882 388 D CB -0.095 40.691 40.800 -0.024 0.000 0.918 388 D HN 0.535 nan 8.370 nan 0.000 0.503 389 G N -0.643 108.186 108.800 0.047 0.000 3.377 389 G HA2 0.175 4.160 3.960 0.041 0.000 0.257 389 G HA3 0.175 4.160 3.960 0.041 0.000 0.257 389 G C 0.500 175.459 174.900 0.099 0.000 1.038 389 G CA -0.353 44.781 45.100 0.056 0.000 0.809 389 G HN 0.131 nan 8.290 nan 0.000 0.526 390 I N 1.724 122.386 120.570 0.154 0.000 2.741 390 I HA 0.027 4.222 4.170 0.041 0.000 0.288 390 I C 0.137 176.412 176.117 0.264 0.000 1.192 390 I CA 0.629 62.062 61.300 0.222 0.000 1.426 390 I CB 0.663 38.876 38.000 0.354 0.000 1.367 390 I HN 0.103 nan 8.210 nan 0.000 0.563 391 E N 5.231 125.535 120.200 0.174 0.000 2.179 391 E HA 0.600 4.975 4.350 0.041 0.000 0.275 391 E C -0.613 175.983 176.600 -0.007 0.000 0.945 391 E CA -0.875 55.612 56.400 0.145 0.000 0.792 391 E CB 1.820 31.572 29.700 0.086 0.000 1.125 391 E HN 0.687 nan 8.360 nan 0.000 0.397 392 A N 3.074 125.821 122.820 -0.122 0.000 2.327 392 A HA 0.277 4.622 4.320 0.041 0.000 0.283 392 A C -0.110 177.382 177.584 -0.152 0.000 1.127 392 A CA -0.478 51.337 52.037 -0.369 0.000 0.810 392 A CB 0.290 18.847 19.000 -0.738 0.000 1.066 392 A HN 0.682 nan 8.150 nan 0.000 0.492 393 N N 1.912 120.526 118.700 -0.144 0.000 3.083 393 N HA 0.310 5.075 4.740 0.041 0.000 0.260 393 N C 1.010 176.476 175.510 -0.074 0.000 1.163 393 N CA -0.257 52.747 53.050 -0.077 0.000 1.060 393 N CB 0.454 38.908 38.487 -0.055 0.000 1.345 393 N HN 0.371 nan 8.380 nan 0.000 0.515 394 V N 1.192 121.070 119.914 -0.059 0.000 2.282 394 V HA -0.287 3.858 4.120 0.041 0.000 0.249 394 V C 2.009 178.084 176.094 -0.032 0.000 1.057 394 V CA 1.718 63.991 62.300 -0.045 0.000 1.032 394 V CB -0.325 31.489 31.823 -0.015 0.000 0.645 394 V HN 0.666 nan 8.190 nan 0.000 0.447 395 E N -0.171 120.015 120.200 -0.023 0.000 2.072 395 E HA -0.215 4.160 4.350 0.041 0.000 0.190 395 E C 2.440 179.028 176.600 -0.020 0.000 0.982 395 E CA 1.144 57.534 56.400 -0.016 0.000 0.803 395 E CB -0.177 29.517 29.700 -0.010 0.000 0.755 395 E HN 0.494 nan 8.360 nan 0.000 0.453 396 R N 0.471 120.957 120.500 -0.024 0.000 2.096 396 R HA -0.113 4.252 4.340 0.041 0.000 0.235 396 R C 2.388 178.670 176.300 -0.029 0.000 1.127 396 R CA 1.339 57.425 56.100 -0.024 0.000 0.968 396 R CB -0.238 30.048 30.300 -0.022 0.000 0.861 396 R HN 0.166 nan 8.270 nan 0.000 0.440 397 C N -0.203 119.072 119.300 -0.041 0.000 2.436 397 C HA -0.051 4.434 4.460 0.041 0.000 0.277 397 C C 2.684 177.654 174.990 -0.034 0.000 1.241 397 C CA 1.045 60.035 59.018 -0.046 0.000 1.721 397 C CB -0.909 26.789 27.740 -0.071 0.000 2.043 397 C HN 0.553 nan 8.230 nan 0.000 0.472 398 R N 1.269 121.753 120.500 -0.028 0.000 2.091 398 R HA -0.131 4.234 4.340 0.041 0.000 0.238 398 R C 2.125 178.415 176.300 -0.017 0.000 1.136 398 R CA 1.938 58.026 56.100 -0.019 0.000 0.959 398 R CB -0.444 29.849 30.300 -0.012 0.000 0.856 398 R HN 0.470 nan 8.270 nan 0.000 0.437 399 A N 0.040 122.850 122.820 -0.016 0.000 1.902 399 A HA -0.039 4.306 4.320 0.041 0.000 0.217 399 A C 2.393 179.967 177.584 -0.016 0.000 1.181 399 A CA 1.587 53.616 52.037 -0.014 0.000 0.623 399 A CB -1.324 17.668 19.000 -0.013 0.000 0.818 399 A HN 0.590 nan 8.150 nan 0.000 0.443 400 G N -0.430 108.358 108.800 -0.019 0.000 2.440 400 G HA2 -0.039 3.946 3.960 0.041 0.000 0.218 400 G HA3 -0.039 3.946 3.960 0.041 0.000 0.218 400 G C 1.723 176.610 174.900 -0.022 0.000 1.154 400 G CA 1.520 46.608 45.100 -0.020 0.000 0.767 400 G HN 0.807 nan 8.290 nan 0.000 0.552 401 A N 0.635 123.441 122.820 -0.024 0.000 1.898 401 A HA 0.060 4.405 4.320 0.041 0.000 0.216 401 A C 2.157 179.728 177.584 -0.021 0.000 1.181 401 A CA 1.797 53.818 52.037 -0.026 0.000 0.620 401 A CB -0.279 18.704 19.000 -0.028 0.000 0.819 401 A HN 0.441 nan 8.150 nan 0.000 0.442 402 E N -0.354 119.836 120.200 -0.017 0.000 2.216 402 E HA -0.082 4.293 4.350 0.041 0.000 0.192 402 E C 1.329 177.920 176.600 -0.015 0.000 0.988 402 E CA 0.760 57.151 56.400 -0.014 0.000 0.834 402 E CB 0.001 29.695 29.700 -0.011 0.000 0.772 402 E HN 0.665 nan 8.360 nan 0.000 0.479 403 E N 0.545 120.736 120.200 -0.016 0.000 2.479 403 E HA 0.058 4.433 4.350 0.041 0.000 0.193 403 E C 0.182 176.772 176.600 -0.017 0.000 1.049 403 E CA -0.197 56.194 56.400 -0.015 0.000 0.870 403 E CB 0.587 30.279 29.700 -0.013 0.000 0.944 403 E HN -0.082 nan 8.360 nan 0.000 0.492 404 S N 0.223 115.912 115.700 -0.019 0.000 2.580 404 S HA 0.144 4.639 4.470 0.041 0.000 0.274 404 S C 0.997 175.583 174.600 -0.023 0.000 1.329 404 S CA -0.414 57.773 58.200 -0.021 0.000 1.036 404 S CB 0.610 63.796 63.200 -0.024 0.000 0.919 404 S HN 0.040 nan 8.310 nan 0.000 0.515 405 I N 3.341 123.896 120.570 -0.024 0.000 3.030 405 I HA -0.035 4.160 4.170 0.041 0.000 0.270 405 I C 2.437 178.534 176.117 -0.033 0.000 1.211 405 I CA 0.629 61.911 61.300 -0.029 0.000 1.479 405 I CB -0.327 37.655 38.000 -0.029 0.000 1.105 405 I HN 0.773 nan 8.210 nan 0.000 0.447 406 S N 1.294 116.977 115.700 -0.029 0.000 2.420 406 S HA -0.212 4.283 4.470 0.041 0.000 0.237 406 S C 1.988 176.569 174.600 -0.031 0.000 1.023 406 S CA 1.057 59.239 58.200 -0.029 0.000 0.991 406 S CB -0.993 62.191 63.200 -0.027 0.000 0.792 406 S HN 0.460 nan 8.310 nan 0.000 0.488 407 L N 1.347 122.552 121.223 -0.030 0.000 2.051 407 L HA -0.180 4.185 4.340 0.041 0.000 0.214 407 L C 3.139 179.989 176.870 -0.033 0.000 1.076 407 L CA 1.494 56.317 54.840 -0.028 0.000 0.758 407 L CB -1.135 40.910 42.059 -0.025 0.000 0.890 407 L HN 0.530 nan 8.230 nan 0.000 0.433 408 A N -0.783 122.011 122.820 -0.043 0.000 2.178 408 A HA -0.159 4.186 4.320 0.041 0.000 0.218 408 A C 2.247 179.790 177.584 -0.069 0.000 1.157 408 A CA 1.918 53.920 52.037 -0.059 0.000 0.689 408 A CB -0.680 18.276 19.000 -0.075 0.000 0.787 408 A HN 0.411 nan 8.150 nan 0.000 0.465 409 T N 0.027 114.549 114.554 -0.054 0.000 2.904 409 T HA 0.047 4.421 4.350 0.041 0.000 0.267 409 T C 2.125 176.811 174.700 -0.023 0.000 1.059 409 T CA 1.099 63.174 62.100 -0.041 0.000 1.137 409 T CB -0.284 68.572 68.868 -0.019 0.000 0.879 409 T HN 0.608 nan 8.240 nan 0.000 0.467 410 A N 1.063 123.870 122.820 -0.021 0.000 2.131 410 A HA 0.050 4.395 4.320 0.041 0.000 0.220 410 A C 1.989 179.566 177.584 -0.011 0.000 1.158 410 A CA 1.001 53.031 52.037 -0.012 0.000 0.665 410 A CB -0.642 18.352 19.000 -0.011 0.000 0.795 410 A HN 0.521 nan 8.150 nan 0.000 0.460 411 L N -0.889 120.320 121.223 -0.023 0.000 2.607 411 L HA 0.029 4.394 4.340 0.041 0.000 0.228 411 L C 1.910 178.769 176.870 -0.018 0.000 1.123 411 L CA -0.100 54.727 54.840 -0.022 0.000 0.890 411 L CB 0.052 42.091 42.059 -0.033 0.000 1.103 411 L HN 0.176 nan 8.230 nan 0.000 0.468 412 V N 1.286 121.193 119.914 -0.013 0.000 2.343 412 V HA -0.144 4.001 4.120 0.041 0.000 0.247 412 V C -0.153 175.961 176.094 0.033 0.000 1.051 412 V CA 1.949 64.259 62.300 0.017 0.000 1.036 412 V CB -1.409 30.447 31.823 0.055 0.000 0.654 412 V HN 0.415 nan 8.190 nan 0.000 0.451 413 P HA 0.071 nan 4.420 nan 0.000 0.245 413 P C 1.589 178.899 177.300 0.016 0.000 1.206 413 P CA 0.651 63.765 63.100 0.024 0.000 0.781 413 P CB 0.388 32.100 31.700 0.021 0.000 0.994 414 V N 0.590 120.510 119.914 0.010 0.000 2.331 414 V HA -0.091 4.054 4.120 0.041 0.000 0.242 414 V C 2.371 178.469 176.094 0.006 0.000 1.034 414 V CA 2.123 64.427 62.300 0.006 0.000 1.027 414 V CB -0.530 31.293 31.823 0.000 0.000 0.667 414 V HN 0.041 nan 8.190 nan 0.000 0.457 415 V N -2.767 117.149 119.914 0.004 0.000 3.432 415 V HA 0.781 4.926 4.120 0.041 0.000 0.298 415 V C 0.638 176.741 176.094 0.015 0.000 1.464 415 V CA 0.077 62.380 62.300 0.005 0.000 1.046 415 V CB -0.368 31.452 31.823 -0.004 0.000 0.887 415 V HN 0.848 nan 8.190 nan 0.000 0.441 416 G N -0.221 108.595 108.800 0.027 0.000 2.719 416 G HA2 -0.256 3.729 3.960 0.041 0.000 0.686 416 G HA3 -0.256 3.729 3.960 0.041 0.000 0.686 416 G C -0.292 174.652 174.900 0.074 0.000 1.201 416 G CA 0.057 45.192 45.100 0.059 0.000 0.768 416 G HN 0.510 nan 8.290 nan 0.000 0.629 417 Y N 1.897 122.196 120.300 -0.002 0.000 2.002 417 Y HA -0.140 4.435 4.550 0.041 0.000 0.268 417 Y C 3.149 179.047 175.900 -0.002 0.000 1.177 417 Y CA 4.432 62.531 58.100 -0.002 0.000 1.111 417 Y CB -0.625 37.833 38.460 -0.002 0.000 0.952 417 Y HN 1.365 nan 8.280 nan 0.000 0.491 418 A N 0.228 123.188 122.820 0.234 0.000 1.882 418 A HA -0.406 3.939 4.320 0.041 0.000 0.220 418 A C 2.334 179.926 177.584 0.013 0.000 1.253 418 A CA 3.759 55.875 52.037 0.131 0.000 0.664 418 A CB -1.764 17.301 19.000 0.107 0.000 0.838 418 A HN 0.606 nan 8.150 nan 0.000 0.460 419 R N -1.231 119.271 120.500 0.003 0.000 2.148 419 R HA 0.293 4.657 4.340 0.041 0.000 0.227 419 R C 2.450 178.718 176.300 -0.054 0.000 1.103 419 R CA 2.100 58.189 56.100 -0.019 0.000 0.983 419 R CB -1.608 28.688 30.300 -0.006 0.000 0.874 419 R HN 1.125 nan 8.270 nan 0.000 0.451 420 A N 0.260 123.027 122.820 -0.089 0.000 2.067 420 A HA 0.452 4.797 4.320 0.041 0.000 0.217 420 A C 2.677 180.147 177.584 -0.190 0.000 1.156 420 A CA 1.156 53.117 52.037 -0.127 0.000 0.683 420 A CB -0.379 18.542 19.000 -0.131 0.000 0.808 420 A HN 0.780 nan 8.150 nan 0.000 0.455 421 A N -0.430 122.233 122.820 -0.261 0.000 1.968 421 A HA 0.174 4.519 4.320 0.041 0.000 0.217 421 A C 2.088 179.600 177.584 -0.120 0.000 1.169 421 A CA 1.895 53.780 52.037 -0.254 0.000 0.638 421 A CB -0.780 18.044 19.000 -0.294 0.000 0.812 421 A HN 0.657 nan 8.150 nan 0.000 0.446 422 E N 0.307 120.458 120.200 -0.081 0.000 2.106 422 E HA -0.100 4.274 4.350 0.041 0.000 0.192 422 E C 1.799 178.372 176.600 -0.045 0.000 0.984 422 E CA 1.334 57.707 56.400 -0.045 0.000 0.806 422 E CB -0.833 28.851 29.700 -0.027 0.000 0.750 422 E HN 0.697 nan 8.360 nan 0.000 0.458 423 I N 0.466 121.004 120.570 -0.054 0.000 2.286 423 I HA -0.176 4.019 4.170 0.041 0.000 0.248 423 I C 3.064 179.153 176.117 -0.048 0.000 1.115 423 I CA 1.028 62.300 61.300 -0.046 0.000 1.392 423 I CB -0.274 37.699 38.000 -0.046 0.000 1.065 423 I HN 0.398 nan 8.210 nan 0.000 0.418 424 A N 1.288 124.070 122.820 -0.064 0.000 1.865 424 A HA -0.288 4.057 4.320 0.041 0.000 0.217 424 A C 2.648 180.206 177.584 -0.042 0.000 1.191 424 A CA 2.820 54.822 52.037 -0.059 0.000 0.623 424 A CB -1.006 17.945 19.000 -0.082 0.000 0.826 424 A HN 0.375 nan 8.150 nan 0.000 0.444 425 K N -0.686 119.690 120.400 -0.040 0.000 2.057 425 K HA -0.151 4.194 4.320 0.041 0.000 0.207 425 K C 2.035 178.623 176.600 -0.021 0.000 1.049 425 K CA 1.894 58.165 56.287 -0.026 0.000 0.931 425 K CB -0.835 31.652 32.500 -0.022 0.000 0.714 425 K HN 0.701 nan 8.250 nan 0.000 0.440 426 Q N -0.839 118.947 119.800 -0.022 0.000 2.167 426 Q HA 0.050 4.415 4.340 0.041 0.000 0.202 426 Q C 2.521 178.511 176.000 -0.017 0.000 0.970 426 Q CA 1.194 56.987 55.803 -0.017 0.000 0.855 426 Q CB -0.214 28.514 28.738 -0.017 0.000 0.911 426 Q HN 0.668 nan 8.270 nan 0.000 0.438 427 A N 0.518 123.325 122.820 -0.021 0.000 1.858 427 A HA -0.195 4.150 4.320 0.041 0.000 0.216 427 A C 1.974 179.548 177.584 -0.016 0.000 1.190 427 A CA 1.301 53.327 52.037 -0.019 0.000 0.617 427 A CB -0.732 18.254 19.000 -0.023 0.000 0.827 427 A HN 0.397 nan 8.150 nan 0.000 0.443 428 L N -0.212 121.000 121.223 -0.017 0.000 2.017 428 L HA -0.046 4.319 4.340 0.041 0.000 0.208 428 L C 2.666 179.529 176.870 -0.011 0.000 1.073 428 L CA 2.344 57.175 54.840 -0.014 0.000 0.745 428 L CB -0.758 41.292 42.059 -0.015 0.000 0.894 428 L HN 0.334 nan 8.230 nan 0.000 0.432 429 A N -1.207 121.606 122.820 -0.011 0.000 1.972 429 A HA -0.186 4.159 4.320 0.041 0.000 0.219 429 A C 2.375 179.954 177.584 -0.008 0.000 1.169 429 A CA 1.977 54.009 52.037 -0.009 0.000 0.635 429 A CB -0.841 18.154 19.000 -0.008 0.000 0.810 429 A HN 0.666 nan 8.150 nan 0.000 0.446 430 S N -2.852 112.843 115.700 -0.009 0.000 2.512 430 S HA 0.409 4.904 4.470 0.041 0.000 0.216 430 S C 1.309 175.905 174.600 -0.008 0.000 1.006 430 S CA 1.103 59.298 58.200 -0.008 0.000 0.915 430 S CB 0.002 63.197 63.200 -0.008 0.000 0.824 430 S HN 1.937 nan 8.310 nan 0.000 0.497 431 G N 1.071 109.866 108.800 -0.009 0.000 2.147 431 G HA2 -0.224 3.761 3.960 0.041 0.000 0.244 431 G HA3 -0.224 3.761 3.960 0.041 0.000 0.244 431 G C -0.261 174.633 174.900 -0.009 0.000 1.005 431 G CA 0.222 45.317 45.100 -0.008 0.000 0.713 431 G HN 0.625 nan 8.290 nan 0.000 0.515 432 Q N 0.212 120.006 119.800 -0.010 0.000 2.215 432 Q HA 0.599 4.964 4.340 0.041 0.000 0.256 432 Q C 0.915 176.907 176.000 -0.013 0.000 0.972 432 Q CA -0.148 55.648 55.803 -0.011 0.000 0.889 432 Q CB 1.230 29.962 28.738 -0.010 0.000 1.281 432 Q HN 0.496 nan 8.270 nan 0.000 0.456 433 T N -2.427 112.119 114.554 -0.012 0.000 2.856 433 T HA 0.051 4.426 4.350 0.041 0.000 0.306 433 T C 1.348 176.038 174.700 -0.016 0.000 1.062 433 T CA -0.666 61.426 62.100 -0.014 0.000 1.083 433 T CB 0.501 69.362 68.868 -0.012 0.000 0.984 433 T HN 0.344 nan 8.240 nan 0.000 0.542 434 V N 2.095 121.998 119.914 -0.019 0.000 2.380 434 V HA -0.212 3.933 4.120 0.041 0.000 0.251 434 V C 2.614 178.696 176.094 -0.019 0.000 1.063 434 V CA 2.440 64.726 62.300 -0.022 0.000 1.055 434 V CB -1.110 30.697 31.823 -0.027 0.000 0.657 434 V HN 0.965 nan 8.190 nan 0.000 0.455 435 M N 0.501 120.091 119.600 -0.015 0.000 2.065 435 M HA -0.217 4.288 4.480 0.041 0.000 0.259 435 M C 2.048 178.342 176.300 -0.011 0.000 1.069 435 M CA 2.069 57.362 55.300 -0.012 0.000 1.110 435 M CB -0.533 32.061 32.600 -0.010 0.000 1.328 435 M HN 0.346 nan 8.290 nan 0.000 0.405 436 E N -1.045 119.149 120.200 -0.011 0.000 2.085 436 E HA -0.186 4.189 4.350 0.041 0.000 0.194 436 E C 1.926 178.520 176.600 -0.011 0.000 0.994 436 E CA 1.705 58.099 56.400 -0.009 0.000 0.801 436 E CB -0.274 29.421 29.700 -0.009 0.000 0.743 436 E HN 0.404 nan 8.360 nan 0.000 0.453 437 V N 0.970 120.876 119.914 -0.013 0.000 2.379 437 V HA -0.211 3.934 4.120 0.041 0.000 0.245 437 V C 2.233 178.318 176.094 -0.014 0.000 1.044 437 V CA 1.666 63.958 62.300 -0.014 0.000 1.036 437 V CB -0.553 31.259 31.823 -0.018 0.000 0.664 437 V HN 0.322 nan 8.190 nan 0.000 0.453 438 A N -0.221 122.590 122.820 -0.016 0.000 1.972 438 A HA -0.147 4.198 4.320 0.041 0.000 0.219 438 A C 2.182 179.760 177.584 -0.011 0.000 1.169 438 A CA 1.634 53.662 52.037 -0.015 0.000 0.635 438 A CB -0.513 18.478 19.000 -0.016 0.000 0.810 438 A HN 0.500 nan 8.150 nan 0.000 0.446 439 I N -0.519 120.046 120.570 -0.009 0.000 2.315 439 I HA -0.209 3.986 4.170 0.041 0.000 0.248 439 I C 2.647 178.760 176.117 -0.007 0.000 1.117 439 I CA 1.200 62.495 61.300 -0.007 0.000 1.404 439 I CB -0.197 37.799 38.000 -0.006 0.000 1.071 439 I HN 0.241 nan 8.210 nan 0.000 0.419 440 S N 0.675 116.371 115.700 -0.007 0.000 2.359 440 S HA -0.263 4.232 4.470 0.041 0.000 0.224 440 S C 2.304 176.901 174.600 -0.006 0.000 1.035 440 S CA 2.059 60.255 58.200 -0.007 0.000 1.018 440 S CB -0.420 62.775 63.200 -0.008 0.000 0.876 440 S HN 0.563 nan 8.310 nan 0.000 0.448 441 K N 0.442 120.837 120.400 -0.008 0.000 2.555 441 K HA 0.334 4.679 4.320 0.041 0.000 0.193 441 K C 1.393 177.990 176.600 -0.006 0.000 1.032 441 K CA 1.146 57.429 56.287 -0.007 0.000 1.004 441 K CB -1.269 31.225 32.500 -0.010 0.000 0.804 441 K HN 0.747 nan 8.250 nan 0.000 0.496 442 G N -0.951 107.846 108.800 -0.005 0.000 2.176 442 G HA2 -0.131 3.854 3.960 0.041 0.000 0.232 442 G HA3 -0.131 3.854 3.960 0.041 0.000 0.232 442 G C 0.036 174.934 174.900 -0.004 0.000 0.986 442 G CA -0.020 45.078 45.100 -0.004 0.000 0.643 442 G HN 0.374 nan 8.290 nan 0.000 0.522 443 L N 1.686 122.906 121.223 -0.005 0.000 2.485 443 L HA 0.404 4.769 4.340 0.041 0.000 0.275 443 L C 0.802 177.670 176.870 -0.004 0.000 1.207 443 L CA 0.055 54.892 54.840 -0.004 0.000 0.855 443 L CB 0.504 42.559 42.059 -0.006 0.000 1.114 443 L HN 0.322 nan 8.230 nan 0.000 0.485 444 D N 1.548 121.947 120.400 -0.002 0.000 2.458 444 D HA 0.201 4.866 4.640 0.041 0.000 0.243 444 D C 0.960 177.258 176.300 -0.002 0.000 1.146 444 D CA 0.642 54.641 54.000 -0.002 0.000 0.877 444 D CB 1.177 41.977 40.800 -0.001 0.000 1.176 444 D HN 0.642 nan 8.370 nan 0.000 0.461 445 A N 2.831 125.650 122.820 -0.002 0.000 1.940 445 A HA -0.167 4.178 4.320 0.041 0.000 0.219 445 A C 2.072 179.656 177.584 -0.001 0.000 1.176 445 A CA 1.886 53.922 52.037 -0.002 0.000 0.631 445 A CB -0.406 18.593 19.000 -0.001 0.000 0.814 445 A HN 0.592 nan 8.150 nan 0.000 0.446 446 S N 0.074 115.774 115.700 0.000 0.000 2.425 446 S HA 0.224 4.719 4.470 0.041 0.000 0.225 446 S C 2.145 176.746 174.600 0.002 0.000 1.024 446 S CA 0.743 58.944 58.200 0.001 0.000 0.951 446 S CB -0.357 62.844 63.200 0.001 0.000 0.796 446 S HN 0.758 nan 8.310 nan 0.000 0.498 447 A N 1.977 124.798 122.820 0.001 0.000 1.898 447 A HA 0.166 4.511 4.320 0.041 0.000 0.216 447 A C 2.134 179.719 177.584 0.001 0.000 1.181 447 A CA 0.896 52.934 52.037 0.002 0.000 0.620 447 A CB -0.725 18.275 19.000 0.001 0.000 0.819 447 A HN 0.438 nan 8.150 nan 0.000 0.442 448 L N -0.682 120.540 121.223 -0.001 0.000 2.093 448 L HA -0.130 4.235 4.340 0.041 0.000 0.208 448 L C 2.695 179.565 176.870 -0.001 0.000 1.085 448 L CA 1.611 56.449 54.840 -0.002 0.000 0.755 448 L CB -0.758 41.299 42.059 -0.004 0.000 0.904 448 L HN 0.323 nan 8.230 nan 0.000 0.435 449 T N 0.064 114.618 114.554 0.001 0.000 2.833 449 T HA -0.145 4.230 4.350 0.041 0.000 0.269 449 T C 1.848 176.551 174.700 0.006 0.000 1.054 449 T CA 1.372 63.473 62.100 0.003 0.000 1.135 449 T CB -0.127 68.743 68.868 0.003 0.000 0.869 449 T HN 0.193 nan 8.240 nan 0.000 0.466 450 I N -0.239 120.334 120.570 0.006 0.000 2.296 450 I HA -0.048 4.146 4.170 0.041 0.000 0.242 450 I C 2.405 178.527 176.117 0.009 0.000 1.087 450 I CA 0.680 61.986 61.300 0.009 0.000 1.393 450 I CB -0.255 37.751 38.000 0.009 0.000 1.093 450 I HN 0.123 nan 8.210 nan 0.000 0.421 451 M N 0.580 120.183 119.600 0.005 0.000 2.110 451 M HA -0.197 4.308 4.480 0.041 0.000 0.257 451 M C 1.461 177.761 176.300 0.001 0.000 1.071 451 M CA 2.019 57.321 55.300 0.003 0.000 1.096 451 M CB -0.462 32.138 32.600 -0.001 0.000 1.300 451 M HN 0.082 nan 8.290 nan 0.000 0.411 452 L N -0.611 120.611 121.223 -0.002 0.000 2.851 452 L HA 0.201 4.566 4.340 0.041 0.000 0.237 452 L C -0.195 176.673 176.870 -0.003 0.000 1.257 452 L CA -0.603 54.233 54.840 -0.006 0.000 1.061 452 L CB -0.863 41.190 42.059 -0.010 0.000 1.372 452 L HN 0.065 nan 8.230 nan 0.000 0.493 453 D N 1.372 121.774 120.400 0.004 0.000 2.339 453 D HA 0.130 4.795 4.640 0.041 0.000 0.256 453 D C -1.534 174.771 176.300 0.007 0.000 1.214 453 D CA -1.897 52.109 54.000 0.010 0.000 0.877 453 D CB 1.569 42.382 40.800 0.021 0.000 1.111 453 D HN -0.056 nan 8.370 nan 0.000 0.478 454 P HA -0.064 nan 4.420 nan 0.000 0.220 454 P C 1.448 178.736 177.300 -0.020 0.000 1.152 454 P CA 0.084 63.173 63.100 -0.017 0.000 0.812 454 P CB 0.223 31.910 31.700 -0.022 0.000 0.792 455 L N 0.051 121.284 121.223 0.016 0.000 2.083 455 L HA -0.071 4.294 4.340 0.041 0.000 0.209 455 L C 2.462 179.402 176.870 0.118 0.000 1.083 455 L CA 1.782 56.661 54.840 0.065 0.000 0.752 455 L CB -0.890 41.237 42.059 0.113 0.000 0.899 455 L HN -0.212 nan 8.230 nan 0.000 0.433 456 R N -0.980 119.574 120.500 0.090 0.000 2.075 456 R HA -0.146 4.219 4.340 0.041 0.000 0.232 456 R C 2.215 178.553 176.300 0.064 0.000 1.126 456 R CA 1.869 58.031 56.100 0.104 0.000 0.963 456 R CB -0.259 30.078 30.300 0.062 0.000 0.858 456 R HN 0.371 nan 8.270 nan 0.000 0.435 457 M N -0.030 119.573 119.600 0.004 0.000 2.267 457 M HA -0.114 4.391 4.480 0.041 0.000 0.263 457 M C 2.272 178.510 176.300 -0.103 0.000 1.063 457 M CA 1.655 56.935 55.300 -0.034 0.000 1.090 457 M CB -0.085 32.491 32.600 -0.041 0.000 1.392 457 M HN 0.273 nan 8.290 nan 0.000 0.422 458 A N -0.133 122.558 122.820 -0.213 0.000 2.015 458 A HA -0.002 4.343 4.320 0.041 0.000 0.219 458 A C 0.377 177.582 177.584 -0.631 0.000 1.163 458 A CA 0.905 52.642 52.037 -0.500 0.000 0.646 458 A CB -0.311 18.225 19.000 -0.772 0.000 0.806 458 A HN 0.370 nan 8.150 nan 0.000 0.448 459 F N 1.055 121.003 119.950 -0.003 0.000 2.427 459 F HA 0.456 5.008 4.527 0.041 0.000 0.348 459 F C -1.617 174.181 175.800 -0.002 0.000 1.125 459 F CA -2.917 55.081 58.000 -0.003 0.000 0.989 459 F CB 0.582 39.582 39.000 -0.001 0.000 1.165 459 F HN 0.022 nan 8.300 nan 0.000 0.442 460 P HA 0.000 nan 4.420 nan 0.000 0.216 460 P CA 0.000 63.154 63.100 0.090 0.000 0.800 460 P CB 0.000 31.737 31.700 0.062 0.000 0.726