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 2ip2_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLAAARNLIQ VVTGEWKSRC VYVATRLGLA DLIESGIDSD ETLAAAVGSD DATA SEQUENCE AERIHRLMRL LVAFEIFQGD TRDGYANTPT SHLLRDVEGS FRDMVLFYGE DATA SEQUENCE EFHAAWTPAC EALLSGTPGF ELAFGEDFYS YLKRCPDAGR RFLLAMKASN DATA SEQUENCE LAFHEIPRLL DFRGRSFVDV GGGSGELTKA ILQAEPSARG VMLDREGSLG DATA SEQUENCE VARDNLSSLL AGERVSLVGG DMLQEVPSNG DIYLLSRIIG DLDEAASLRL DATA SEQUENCE LGNCREAMAG DGRVVVIERT ISASEPSPMS VLWDVHLFMA CAGRHRTTEE DATA SEQUENCE VVDLLGRGGF AVERIVDLPM ETRMIVAARA 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.509 175.510 -0.002 0.000 1.280 5 N CA 0.000 53.049 53.050 -0.001 0.000 0.885 5 N CB 0.000 38.486 38.487 -0.002 0.000 1.341 6 L N 2.643 123.866 121.223 -0.001 0.000 1.963 6 L HA -0.137 4.203 4.340 -0.001 0.000 0.220 6 L C 2.679 179.548 176.870 -0.002 0.000 1.076 6 L CA 2.767 57.607 54.840 -0.000 0.000 0.772 6 L CB -1.328 40.731 42.059 0.001 0.000 0.892 6 L HN 0.813 nan 8.230 nan 0.000 0.435 7 A N -1.151 121.668 122.820 -0.003 0.000 1.902 7 A HA -0.132 4.187 4.320 -0.001 0.000 0.217 7 A C 2.448 180.028 177.584 -0.007 0.000 1.181 7 A CA 2.019 54.054 52.037 -0.004 0.000 0.623 7 A CB -0.965 18.033 19.000 -0.003 0.000 0.818 7 A HN 0.443 nan 8.150 nan 0.000 0.443 8 A N -0.167 122.648 122.820 -0.007 0.000 1.902 8 A HA 0.171 4.491 4.320 -0.001 0.000 0.217 8 A C 2.515 180.090 177.584 -0.014 0.000 1.181 8 A CA 2.089 54.119 52.037 -0.011 0.000 0.623 8 A CB -1.043 17.951 19.000 -0.010 0.000 0.818 8 A HN 1.076 nan 8.150 nan 0.000 0.443 9 A N -0.260 122.553 122.820 -0.011 0.000 1.933 9 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 9 A C 2.245 179.820 177.584 -0.015 0.000 1.175 9 A CA 1.834 53.864 52.037 -0.012 0.000 0.628 9 A CB -0.482 18.514 19.000 -0.006 0.000 0.814 9 A HN 0.577 nan 8.150 nan 0.000 0.444 10 R N -0.267 120.227 120.500 -0.011 0.000 2.092 10 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 10 R C 2.082 178.371 176.300 -0.018 0.000 1.119 10 R CA 1.784 57.878 56.100 -0.009 0.000 0.970 10 R CB -0.351 29.948 30.300 -0.003 0.000 0.864 10 R HN 0.594 nan 8.270 nan 0.000 0.440 11 N N 0.348 119.036 118.700 -0.020 0.000 2.142 11 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 11 N C 1.770 177.254 175.510 -0.044 0.000 1.023 11 N CA 1.180 54.213 53.050 -0.027 0.000 0.852 11 N CB -0.179 38.294 38.487 -0.023 0.000 0.998 11 N HN 0.243 nan 8.380 nan 0.000 0.424 12 L N -0.051 121.147 121.223 -0.042 0.000 2.017 12 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 12 L C 1.671 178.494 176.870 -0.079 0.000 1.073 12 L CA 1.129 55.936 54.840 -0.055 0.000 0.745 12 L CB -0.382 41.652 42.059 -0.043 0.000 0.894 12 L HN 0.237 nan 8.230 nan 0.000 0.432 13 I N 0.017 120.544 120.570 -0.071 0.000 2.208 13 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 13 I C 2.599 178.633 176.117 -0.139 0.000 1.097 13 I CA 1.179 62.419 61.300 -0.101 0.000 1.363 13 I CB -1.467 36.498 38.000 -0.060 0.000 1.051 13 I HN 0.452 nan 8.210 nan 0.000 0.413 14 Q N 0.894 120.639 119.800 -0.092 0.000 2.112 14 Q HA -0.185 4.155 4.340 -0.001 0.000 0.206 14 Q C 2.303 178.214 176.000 -0.150 0.000 0.987 14 Q CA 1.910 57.657 55.803 -0.094 0.000 0.858 14 Q CB -0.167 28.544 28.738 -0.044 0.000 0.905 14 Q HN 0.372 nan 8.270 nan 0.000 0.420 15 V N -0.211 119.619 119.914 -0.140 0.000 2.407 15 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 15 V C 2.559 178.525 176.094 -0.212 0.000 1.041 15 V CA 1.248 63.453 62.300 -0.157 0.000 1.040 15 V CB -0.441 31.311 31.823 -0.119 0.000 0.671 15 V HN 0.121 nan 8.190 nan 0.000 0.455 16 V N 1.113 120.895 119.914 -0.221 0.000 2.407 16 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 16 V C 2.570 178.371 176.094 -0.489 0.000 1.055 16 V CA 2.544 64.680 62.300 -0.272 0.000 1.049 16 V CB -0.957 30.734 31.823 -0.220 0.000 0.662 16 V HN 0.816 nan 8.190 nan 0.000 0.455 17 T N -2.737 111.454 114.554 -0.604 0.000 3.107 17 T HA 0.127 4.477 4.350 -0.001 0.000 0.249 17 T C 1.853 176.149 174.700 -0.674 0.000 1.096 17 T CA 0.726 62.180 62.100 -1.078 0.000 1.012 17 T CB 0.250 68.524 68.868 -0.990 0.000 0.977 17 T HN 0.413 nan 8.240 nan 0.000 0.527 18 G N 1.911 110.465 108.800 -0.410 0.000 2.469 18 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 18 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 18 G C 1.318 176.080 174.900 -0.230 0.000 1.136 18 G CA 0.968 45.896 45.100 -0.286 0.000 0.759 18 G HN 0.667 nan 8.290 nan 0.000 0.562 19 E N -0.523 119.529 120.200 -0.246 0.000 2.118 19 E HA -0.184 4.166 4.350 -0.001 0.000 0.195 19 E C 2.124 178.792 176.600 0.114 0.000 0.992 19 E CA 1.310 57.665 56.400 -0.075 0.000 0.804 19 E CB -0.200 29.485 29.700 -0.026 0.000 0.741 19 E HN 0.606 nan 8.360 nan 0.000 0.458 20 W N 1.043 122.319 121.300 -0.039 0.000 2.388 20 W HA -0.031 4.628 4.660 -0.001 0.000 0.294 20 W C 2.048 178.542 176.519 -0.042 0.000 1.212 20 W CA 0.606 57.938 57.345 -0.021 0.000 1.271 20 W CB -0.719 28.738 29.460 -0.004 0.000 1.126 20 W HN 0.122 nan 8.180 nan 0.000 0.535 21 K N 0.560 121.014 120.400 0.089 0.000 2.057 21 K HA -0.129 4.190 4.320 -0.001 0.000 0.207 21 K C 2.148 178.737 176.600 -0.018 0.000 1.049 21 K CA 2.064 58.318 56.287 -0.054 0.000 0.931 21 K CB -0.561 31.755 32.500 -0.307 0.000 0.714 21 K HN -0.101 nan 8.250 nan 0.000 0.440 22 S N 0.950 116.641 115.700 -0.014 0.000 2.370 22 S HA -0.128 4.341 4.470 -0.001 0.000 0.226 22 S C 1.828 176.484 174.600 0.093 0.000 1.033 22 S CA 1.147 59.360 58.200 0.023 0.000 1.011 22 S CB -0.187 63.014 63.200 0.002 0.000 0.852 22 S HN 0.226 nan 8.310 nan 0.000 0.457 23 R N 0.951 121.516 120.500 0.108 0.000 2.075 23 R HA 0.074 4.413 4.340 -0.001 0.000 0.232 23 R C 2.479 178.871 176.300 0.154 0.000 1.126 23 R CA 0.873 57.053 56.100 0.133 0.000 0.963 23 R CB -1.723 28.638 30.300 0.102 0.000 0.858 23 R HN 0.434 nan 8.270 nan 0.000 0.435 24 C N 0.272 119.639 119.300 0.112 0.000 2.413 24 C HA -0.039 4.421 4.460 -0.001 0.000 0.276 24 C C 2.876 177.915 174.990 0.081 0.000 1.248 24 C CA 0.547 59.617 59.018 0.087 0.000 1.742 24 C CB -0.767 27.024 27.740 0.084 0.000 2.017 24 C HN 0.202 nan 8.230 nan 0.000 0.481 25 V N -0.350 119.611 119.914 0.079 0.000 2.453 25 V HA -0.205 3.914 4.120 -0.001 0.000 0.247 25 V C 2.084 178.235 176.094 0.094 0.000 1.048 25 V CA 2.020 64.359 62.300 0.066 0.000 1.049 25 V CB -0.915 30.930 31.823 0.037 0.000 0.672 25 V HN 0.613 nan 8.190 nan 0.000 0.457 26 Y N 0.919 121.238 120.300 0.031 0.000 2.128 26 Y HA -0.234 4.316 4.550 -0.001 0.000 0.284 26 Y C 2.330 178.249 175.900 0.032 0.000 1.154 26 Y CA 1.903 60.024 58.100 0.036 0.000 1.149 26 Y CB -0.506 37.966 38.460 0.020 0.000 0.976 26 Y HN 0.049 nan 8.280 nan 0.000 0.505 27 V N 0.758 120.595 119.914 -0.129 0.000 2.287 27 V HA -0.347 3.773 4.120 -0.001 0.000 0.248 27 V C 2.764 178.773 176.094 -0.141 0.000 1.053 27 V CA 2.004 64.193 62.300 -0.185 0.000 1.027 27 V CB -1.708 30.095 31.823 -0.033 0.000 0.646 27 V HN 0.583 nan 8.190 nan 0.000 0.447 28 A N -0.301 122.498 122.820 -0.034 0.000 1.940 28 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 28 A C 2.378 179.966 177.584 0.006 0.000 1.176 28 A CA 2.678 54.736 52.037 0.034 0.000 0.631 28 A CB -0.958 18.159 19.000 0.195 0.000 0.814 28 A HN 0.546 nan 8.150 nan 0.000 0.446 29 T N -0.607 113.919 114.554 -0.046 0.000 2.701 29 T HA -0.105 4.245 4.350 -0.001 0.000 0.263 29 T C 2.120 176.750 174.700 -0.117 0.000 1.040 29 T CA 1.129 63.198 62.100 -0.051 0.000 1.147 29 T CB -0.248 68.612 68.868 -0.015 0.000 0.865 29 T HN 0.357 nan 8.240 nan 0.000 0.426 30 R N 0.876 121.206 120.500 -0.283 0.000 2.103 30 R HA -0.006 4.333 4.340 -0.001 0.000 0.242 30 R C 2.330 178.549 176.300 -0.134 0.000 1.142 30 R CA 1.095 57.037 56.100 -0.263 0.000 0.960 30 R CB -0.888 29.150 30.300 -0.437 0.000 0.858 30 R HN 0.426 nan 8.270 nan 0.000 0.439 31 L N -0.457 120.694 121.223 -0.120 0.000 2.478 31 L HA 0.052 4.391 4.340 -0.001 0.000 0.223 31 L C 1.147 177.992 176.870 -0.041 0.000 1.140 31 L CA 0.666 55.463 54.840 -0.071 0.000 0.842 31 L CB -0.343 41.674 42.059 -0.071 0.000 0.953 31 L HN 0.406 nan 8.230 nan 0.000 0.452 32 G N 0.308 109.092 108.800 -0.025 0.000 2.221 32 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.265 32 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.265 32 G C 0.877 175.782 174.900 0.009 0.000 1.041 32 G CA 0.385 45.488 45.100 0.005 0.000 0.807 32 G HN 0.335 nan 8.290 nan 0.000 0.502 33 L N -0.838 120.385 121.223 0.000 0.000 2.042 33 L HA -0.155 4.185 4.340 -0.001 0.000 0.210 33 L C 3.257 180.118 176.870 -0.015 0.000 1.076 33 L CA 2.075 56.871 54.840 -0.074 0.000 0.749 33 L CB -0.814 41.133 42.059 -0.186 0.000 0.893 33 L HN 0.487 nan 8.230 nan 0.000 0.432 34 A N -0.031 122.915 122.820 0.210 0.000 1.902 34 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 34 A C 1.947 179.608 177.584 0.128 0.000 1.181 34 A CA 1.910 54.118 52.037 0.285 0.000 0.623 34 A CB -0.463 18.681 19.000 0.240 0.000 0.818 34 A HN 0.407 nan 8.150 nan 0.000 0.443 35 D N 0.308 120.759 120.400 0.085 0.000 2.084 35 D HA -0.129 4.511 4.640 -0.001 0.000 0.194 35 D C 2.041 178.365 176.300 0.039 0.000 0.990 35 D CA 1.280 55.317 54.000 0.061 0.000 0.826 35 D CB -0.478 40.350 40.800 0.047 0.000 0.971 35 D HN 0.459 nan 8.370 nan 0.000 0.453 36 L N 0.700 121.932 121.223 0.015 0.000 1.990 36 L HA -0.194 4.145 4.340 -0.001 0.000 0.213 36 L C 2.708 179.578 176.870 0.000 0.000 1.072 36 L CA 0.994 55.832 54.840 -0.002 0.000 0.755 36 L CB -0.492 41.550 42.059 -0.028 0.000 0.889 36 L HN -0.006 nan 8.230 nan 0.000 0.432 37 I N -0.374 120.186 120.570 -0.016 0.000 2.208 37 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 37 I C 2.623 178.765 176.117 0.042 0.000 1.097 37 I CA 1.174 62.474 61.300 -0.001 0.000 1.363 37 I CB -0.229 37.741 38.000 -0.050 0.000 1.051 37 I HN 0.254 nan 8.210 nan 0.000 0.413 38 E N 0.962 121.200 120.200 0.063 0.000 2.160 38 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 38 E C 2.133 178.771 176.600 0.063 0.000 0.991 38 E CA 1.594 58.044 56.400 0.084 0.000 0.810 38 E CB -0.148 29.620 29.700 0.114 0.000 0.742 38 E HN 0.496 nan 8.360 nan 0.000 0.466 39 S N -1.753 113.975 115.700 0.046 0.000 2.603 39 S HA 0.186 4.656 4.470 -0.001 0.000 0.220 39 S C 1.502 176.118 174.600 0.028 0.000 0.967 39 S CA 0.539 58.760 58.200 0.034 0.000 0.920 39 S CB 0.141 63.358 63.200 0.027 0.000 0.773 39 S HN 0.450 nan 8.310 nan 0.000 0.529 40 G N 0.869 109.687 108.800 0.029 0.000 2.159 40 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.227 40 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.227 40 G C -0.075 174.836 174.900 0.018 0.000 0.986 40 G CA -0.067 45.048 45.100 0.024 0.000 0.651 40 G HN 0.580 nan 8.290 nan 0.000 0.523 41 I N 2.258 122.838 120.570 0.017 0.000 2.294 41 I HA 0.375 4.544 4.170 -0.001 0.000 0.295 41 I C 0.392 176.524 176.117 0.025 0.000 1.098 41 I CA 0.166 61.474 61.300 0.013 0.000 1.277 41 I CB 0.859 38.861 38.000 0.004 0.000 1.434 41 I HN 0.254 nan 8.210 nan 0.000 0.498 42 D N 2.717 123.142 120.400 0.042 0.000 2.672 42 D HA 0.050 4.690 4.640 -0.001 0.000 0.287 42 D C -0.022 176.324 176.300 0.076 0.000 1.559 42 D CA -0.237 53.815 54.000 0.087 0.000 0.796 42 D CB 0.008 40.837 40.800 0.049 0.000 1.181 42 D HN 0.362 nan 8.370 nan 0.000 0.458 43 S N -1.115 114.629 115.700 0.073 0.000 2.677 43 S HA 0.434 4.904 4.470 -0.001 0.000 0.304 43 S C 0.451 175.147 174.600 0.161 0.000 1.108 43 S CA -0.597 57.635 58.200 0.053 0.000 0.944 43 S CB 2.320 65.513 63.200 -0.011 0.000 1.127 43 S HN -0.200 nan 8.310 nan 0.000 0.511 44 D N 1.150 121.668 120.400 0.196 0.000 2.123 44 D HA -0.098 4.541 4.640 -0.001 0.000 0.196 44 D C 1.550 177.899 176.300 0.082 0.000 0.992 44 D CA 1.722 55.830 54.000 0.181 0.000 0.833 44 D CB -0.279 40.642 40.800 0.201 0.000 0.954 44 D HN 0.703 nan 8.370 nan 0.000 0.455 45 E N 0.001 120.232 120.200 0.050 0.000 2.031 45 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 45 E C 2.307 178.917 176.600 0.018 0.000 0.994 45 E CA 1.846 58.260 56.400 0.024 0.000 0.800 45 E CB -0.561 29.145 29.700 0.009 0.000 0.752 45 E HN 0.427 nan 8.360 nan 0.000 0.447 46 T N -0.803 113.762 114.554 0.019 0.000 2.857 46 T HA -0.035 4.314 4.350 -0.001 0.000 0.266 46 T C 1.997 176.703 174.700 0.008 0.000 1.048 46 T CA 0.625 62.732 62.100 0.012 0.000 1.139 46 T CB -0.401 68.473 68.868 0.010 0.000 0.874 46 T HN 0.013 nan 8.240 nan 0.000 0.455 47 L N 1.112 122.344 121.223 0.015 0.000 2.017 47 L HA -0.030 4.309 4.340 -0.001 0.000 0.208 47 L C 3.365 180.226 176.870 -0.016 0.000 1.073 47 L CA 1.416 56.250 54.840 -0.012 0.000 0.745 47 L CB -0.835 41.207 42.059 -0.028 0.000 0.894 47 L HN 0.396 nan 8.230 nan 0.000 0.432 48 A N -0.084 122.735 122.820 -0.002 0.000 1.908 48 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 48 A C 2.492 180.073 177.584 -0.005 0.000 1.181 48 A CA 1.933 53.968 52.037 -0.003 0.000 0.627 48 A CB -0.769 18.235 19.000 0.008 0.000 0.818 48 A HN 0.436 nan 8.150 nan 0.000 0.445 49 A N -0.389 122.430 122.820 -0.002 0.000 1.930 49 A HA 0.215 4.535 4.320 -0.001 0.000 0.217 49 A C 2.452 180.034 177.584 -0.005 0.000 1.175 49 A CA 1.899 53.934 52.037 -0.002 0.000 0.627 49 A CB -0.876 18.124 19.000 -0.000 0.000 0.815 49 A HN 1.063 nan 8.150 nan 0.000 0.443 50 A N -0.322 122.494 122.820 -0.007 0.000 1.969 50 A HA 0.085 4.405 4.320 -0.001 0.000 0.218 50 A C 2.038 179.615 177.584 -0.012 0.000 1.169 50 A CA 1.959 53.991 52.037 -0.009 0.000 0.635 50 A CB -0.672 18.322 19.000 -0.011 0.000 0.810 50 A HN 1.181 nan 8.150 nan 0.000 0.445 51 V N -4.960 114.944 119.914 -0.016 0.000 3.605 51 V HA 0.563 4.682 4.120 -0.001 0.000 0.284 51 V C 1.128 177.213 176.094 -0.015 0.000 1.386 51 V CA 0.565 62.853 62.300 -0.020 0.000 1.053 51 V CB -0.616 31.188 31.823 -0.032 0.000 0.857 51 V HN 1.533 nan 8.190 nan 0.000 0.436 52 G N 0.460 109.253 108.800 -0.011 0.000 2.303 52 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.260 52 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.260 52 G C -0.060 174.835 174.900 -0.008 0.000 1.106 52 G CA 0.604 45.699 45.100 -0.008 0.000 0.900 52 G HN 1.063 nan 8.290 nan 0.000 0.495 53 S N -1.035 114.660 115.700 -0.009 0.000 2.921 53 S HA 0.787 5.257 4.470 -0.001 0.000 0.315 53 S C -0.979 173.620 174.600 -0.002 0.000 1.087 53 S CA 0.212 58.408 58.200 -0.007 0.000 0.877 53 S CB 1.872 65.065 63.200 -0.012 0.000 1.340 53 S HN 0.766 nan 8.310 nan 0.000 0.622 54 D N -0.529 119.872 120.400 0.002 0.000 2.527 54 D HA 0.542 5.182 4.640 -0.001 0.000 0.233 54 D C 0.752 177.062 176.300 0.018 0.000 1.063 54 D CA -0.174 53.831 54.000 0.007 0.000 0.880 54 D CB 2.013 42.816 40.800 0.005 0.000 1.457 54 D HN 0.530 nan 8.370 nan 0.000 0.475 55 A N 2.553 125.385 122.820 0.021 0.000 1.940 55 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 55 A C 1.880 179.504 177.584 0.067 0.000 1.176 55 A CA 1.655 53.715 52.037 0.039 0.000 0.631 55 A CB -0.594 18.419 19.000 0.022 0.000 0.814 55 A HN 0.795 nan 8.150 nan 0.000 0.446 56 E N -0.319 119.908 120.200 0.045 0.000 2.077 56 E HA -0.199 4.151 4.350 -0.001 0.000 0.193 56 E C 2.293 178.949 176.600 0.094 0.000 0.989 56 E CA 1.038 57.477 56.400 0.065 0.000 0.800 56 E CB -0.078 29.640 29.700 0.029 0.000 0.746 56 E HN 0.622 nan 8.360 nan 0.000 0.452 57 R N 0.096 120.628 120.500 0.053 0.000 2.073 57 R HA -0.058 4.281 4.340 -0.001 0.000 0.229 57 R C 2.454 178.772 176.300 0.031 0.000 1.120 57 R CA 0.876 56.997 56.100 0.035 0.000 0.967 57 R CB -0.153 30.154 30.300 0.012 0.000 0.862 57 R HN 0.245 nan 8.270 nan 0.000 0.436 58 I N 0.444 121.033 120.570 0.033 0.000 2.208 58 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 58 I C 2.334 178.466 176.117 0.025 0.000 1.097 58 I CA 1.684 62.987 61.300 0.005 0.000 1.363 58 I CB -1.182 36.819 38.000 0.001 0.000 1.051 58 I HN 0.235 nan 8.210 nan 0.000 0.413 59 H N 1.519 120.603 119.070 0.024 0.000 2.319 59 H HA -0.150 4.405 4.556 -0.001 0.000 0.299 59 H C 2.443 177.797 175.328 0.044 0.000 1.092 59 H CA 2.072 58.158 56.048 0.064 0.000 1.302 59 H CB 0.030 29.829 29.762 0.062 0.000 1.373 59 H HN 0.178 nan 8.280 nan 0.000 0.497 60 R N -0.708 119.810 120.500 0.029 0.000 2.090 60 R HA -0.045 4.294 4.340 -0.001 0.000 0.228 60 R C 2.315 178.588 176.300 -0.045 0.000 1.110 60 R CA 1.066 57.155 56.100 -0.018 0.000 0.973 60 R CB -0.318 30.009 30.300 0.046 0.000 0.869 60 R HN 0.276 nan 8.270 nan 0.000 0.440 61 L N 0.510 121.710 121.223 -0.038 0.000 2.017 61 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 61 L C 2.020 178.849 176.870 -0.068 0.000 1.073 61 L CA 1.853 56.672 54.840 -0.035 0.000 0.745 61 L CB -0.268 41.767 42.059 -0.040 0.000 0.894 61 L HN 0.132 nan 8.230 nan 0.000 0.432 62 M N -0.862 118.634 119.600 -0.173 0.000 2.175 62 M HA -0.174 4.305 4.480 -0.001 0.000 0.264 62 M C 2.465 178.681 176.300 -0.139 0.000 1.063 62 M CA 1.499 56.629 55.300 -0.283 0.000 1.119 62 M CB -1.234 30.958 32.600 -0.680 0.000 1.377 62 M HN 0.319 nan 8.290 nan 0.000 0.415 63 R N 0.482 120.879 120.500 -0.172 0.000 2.096 63 R HA -0.216 4.124 4.340 -0.001 0.000 0.240 63 R C 2.209 178.495 176.300 -0.023 0.000 1.139 63 R CA 1.622 57.648 56.100 -0.124 0.000 0.952 63 R CB -0.462 29.712 30.300 -0.211 0.000 0.854 63 R HN 0.245 nan 8.270 nan 0.000 0.436 64 L N 0.752 121.984 121.223 0.015 0.000 1.994 64 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 64 L C 2.016 179.002 176.870 0.194 0.000 1.071 64 L CA 1.749 56.658 54.840 0.116 0.000 0.745 64 L CB -0.446 41.703 42.059 0.150 0.000 0.892 64 L HN 0.267 nan 8.230 nan 0.000 0.431 65 L N -1.750 119.569 121.223 0.160 0.000 2.056 65 L HA -0.180 4.160 4.340 -0.001 0.000 0.207 65 L C 2.404 179.384 176.870 0.184 0.000 1.078 65 L CA 0.906 55.869 54.840 0.204 0.000 0.749 65 L CB -0.579 41.640 42.059 0.268 0.000 0.901 65 L HN 0.124 nan 8.230 nan 0.000 0.433 66 V N 0.125 120.126 119.914 0.146 0.000 2.343 66 V HA -0.283 3.837 4.120 -0.001 0.000 0.247 66 V C 2.736 178.865 176.094 0.057 0.000 1.051 66 V CA 1.771 64.145 62.300 0.122 0.000 1.036 66 V CB -0.900 31.003 31.823 0.133 0.000 0.654 66 V HN 0.485 nan 8.190 nan 0.000 0.451 67 A N -0.933 121.890 122.820 0.004 0.000 2.019 67 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 67 A C 1.731 179.179 177.584 -0.227 0.000 1.164 67 A CA 1.499 53.453 52.037 -0.139 0.000 0.644 67 A CB -0.576 18.283 19.000 -0.235 0.000 0.805 67 A HN 0.516 nan 8.150 nan 0.000 0.449 68 F N 0.017 119.973 119.950 0.011 0.000 2.645 68 F HA 0.235 4.761 4.527 -0.001 0.000 0.300 68 F C 0.569 176.358 175.800 -0.020 0.000 1.115 68 F CA 0.208 58.206 58.000 -0.003 0.000 1.355 68 F CB -0.381 38.618 39.000 -0.003 0.000 1.026 68 F HN 0.348 nan 8.300 nan 0.000 0.536 69 E N -0.955 119.306 120.200 0.102 0.000 2.791 69 E HA -0.280 4.069 4.350 -0.001 0.000 0.271 69 E C 1.298 177.896 176.600 -0.004 0.000 1.044 69 E CA 0.419 56.847 56.400 0.047 0.000 0.814 69 E CB -1.718 28.005 29.700 0.037 0.000 1.400 69 E HN 0.508 nan 8.360 nan 0.000 0.423 70 I N -0.835 119.722 120.570 -0.022 0.000 2.385 70 I HA -0.030 4.140 4.170 -0.001 0.000 0.244 70 I C 1.145 177.014 176.117 -0.412 0.000 1.089 70 I CA 0.941 62.112 61.300 -0.215 0.000 1.410 70 I CB 0.082 37.953 38.000 -0.214 0.000 1.117 70 I HN -0.052 nan 8.210 nan 0.000 0.429 71 F N 0.155 120.086 119.950 -0.031 0.000 2.535 71 F HA 0.414 4.940 4.527 -0.001 0.000 0.367 71 F C 0.346 176.151 175.800 0.008 0.000 1.096 71 F CA -0.628 57.346 58.000 -0.043 0.000 1.088 71 F CB 0.628 39.574 39.000 -0.090 0.000 1.387 71 F HN -0.038 nan 8.300 nan 0.000 0.494 72 Q N 0.018 119.981 119.800 0.271 0.000 2.605 72 Q HA 0.730 5.069 4.340 -0.001 0.000 0.296 72 Q C -0.287 175.850 176.000 0.228 0.000 1.056 72 Q CA -0.818 55.099 55.803 0.190 0.000 0.778 72 Q CB 2.322 31.125 28.738 0.108 0.000 1.497 72 Q HN 1.051 nan 8.270 nan 0.000 0.443 73 G N 0.860 109.747 108.800 0.144 0.000 2.584 73 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.229 73 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.229 73 G C -1.292 173.633 174.900 0.041 0.000 1.320 73 G CA 0.132 45.276 45.100 0.073 0.000 0.891 73 G HN 1.318 nan 8.290 nan 0.000 0.573 74 D N -3.661 116.616 120.400 -0.205 0.000 2.615 74 D HA 0.593 5.233 4.640 -0.001 0.000 0.267 74 D C 0.773 176.610 176.300 -0.771 0.000 1.236 74 D CA 0.551 54.331 54.000 -0.367 0.000 0.839 74 D CB 0.739 41.472 40.800 -0.113 0.000 1.380 74 D HN 0.775 nan 8.370 nan 0.000 0.433 75 T N -0.978 113.181 114.554 -0.659 0.000 2.833 75 T HA -0.120 4.230 4.350 -0.001 0.000 0.269 75 T C 1.632 176.163 174.700 -0.282 0.000 1.054 75 T CA 2.020 63.797 62.100 -0.537 0.000 1.135 75 T CB -0.197 68.593 68.868 -0.131 0.000 0.869 75 T HN 0.416 nan 8.240 nan 0.000 0.466 76 R N 0.303 120.689 120.500 -0.189 0.000 2.055 76 R HA -0.039 4.301 4.340 -0.001 0.000 0.228 76 R C 1.955 178.186 176.300 -0.115 0.000 1.143 76 R CA 1.992 58.022 56.100 -0.117 0.000 0.945 76 R CB -0.095 30.157 30.300 -0.079 0.000 0.841 76 R HN 0.345 nan 8.270 nan 0.000 0.429 77 D N -0.865 119.461 120.400 -0.123 0.000 2.317 77 D HA 0.114 4.754 4.640 -0.001 0.000 0.211 77 D C 0.439 176.673 176.300 -0.110 0.000 0.966 77 D CA 1.261 55.206 54.000 -0.093 0.000 0.876 77 D CB 0.530 41.288 40.800 -0.069 0.000 0.927 77 D HN 0.480 nan 8.370 nan 0.000 0.519 78 G N 0.086 108.768 108.800 -0.197 0.000 2.742 78 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.686 78 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.686 78 G C -1.050 173.723 174.900 -0.210 0.000 1.220 78 G CA -1.064 43.919 45.100 -0.196 0.000 0.783 78 G HN -0.041 nan 8.290 nan 0.000 0.646 79 Y N 0.088 120.368 120.300 -0.033 0.000 2.299 79 Y HA 0.617 5.167 4.550 -0.001 0.000 0.335 79 Y C 1.098 176.988 175.900 -0.017 0.000 1.287 79 Y CA 0.829 58.904 58.100 -0.043 0.000 1.424 79 Y CB 1.459 39.839 38.460 -0.133 0.000 1.326 79 Y HN 1.350 nan 8.280 nan 0.000 0.567 80 A N 1.680 124.634 122.820 0.223 0.000 2.594 80 A HA 0.468 4.787 4.320 -0.001 0.000 0.295 80 A C -0.990 176.699 177.584 0.176 0.000 1.071 80 A CA -1.146 50.978 52.037 0.146 0.000 0.685 80 A CB 1.086 20.145 19.000 0.099 0.000 1.285 80 A HN 0.700 nan 8.150 nan 0.000 0.405 81 N N 0.814 119.551 118.700 0.061 0.000 2.415 81 N HA 0.439 5.179 4.740 -0.001 0.000 0.248 81 N C 0.282 175.694 175.510 -0.164 0.000 1.271 81 N CA 0.920 53.887 53.050 -0.138 0.000 0.913 81 N CB 0.964 39.052 38.487 -0.665 0.000 1.129 81 N HN 0.872 nan 8.380 nan 0.000 0.444 82 T N -2.911 111.508 114.554 -0.225 0.000 2.926 82 T HA 0.405 4.755 4.350 -0.001 0.000 0.289 82 T C -2.005 172.668 174.700 -0.044 0.000 1.054 82 T CA -1.729 60.315 62.100 -0.092 0.000 1.015 82 T CB 1.982 70.801 68.868 -0.082 0.000 1.167 82 T HN 0.095 nan 8.240 nan 0.000 0.526 83 P HA -0.117 nan 4.420 nan 0.000 0.217 83 P C 1.520 178.795 177.300 -0.041 0.000 1.151 83 P CA 1.350 64.486 63.100 0.059 0.000 0.849 83 P CB -0.385 31.321 31.700 0.010 0.000 0.787 84 T N -0.279 114.212 114.554 -0.106 0.000 2.701 84 T HA -0.127 4.222 4.350 -0.001 0.000 0.263 84 T C 2.040 176.601 174.700 -0.232 0.000 1.040 84 T CA 2.144 64.144 62.100 -0.167 0.000 1.147 84 T CB -0.886 67.891 68.868 -0.152 0.000 0.865 84 T HN 0.302 nan 8.240 nan 0.000 0.426 85 S N 1.356 116.855 115.700 -0.334 0.000 2.428 85 S HA -0.162 4.308 4.470 -0.001 0.000 0.230 85 S C 1.860 176.308 174.600 -0.253 0.000 1.014 85 S CA 0.729 58.644 58.200 -0.474 0.000 0.957 85 S CB -0.711 61.910 63.200 -0.966 0.000 0.784 85 S HN 0.498 nan 8.310 nan 0.000 0.499 86 H N 1.732 120.725 119.070 -0.129 0.000 2.426 86 H HA 0.039 4.595 4.556 -0.001 0.000 0.298 86 H C 1.876 177.146 175.328 -0.097 0.000 1.107 86 H CA 1.529 57.531 56.048 -0.076 0.000 1.298 86 H CB -0.411 29.311 29.762 -0.066 0.000 1.377 86 H HN 0.420 nan 8.280 nan 0.000 0.519 87 L N 0.432 121.623 121.223 -0.053 0.000 2.465 87 L HA -0.094 4.245 4.340 -0.001 0.000 0.224 87 L C 1.951 178.794 176.870 -0.045 0.000 1.145 87 L CA 0.304 55.055 54.840 -0.148 0.000 0.834 87 L CB -0.093 41.709 42.059 -0.430 0.000 0.944 87 L HN 0.166 nan 8.230 nan 0.000 0.451 88 L N -1.229 119.974 121.223 -0.034 0.000 2.529 88 L HA 0.077 4.417 4.340 -0.001 0.000 0.223 88 L C 1.132 178.032 176.870 0.051 0.000 1.113 88 L CA -0.098 54.752 54.840 0.015 0.000 0.861 88 L CB -0.203 41.842 42.059 -0.024 0.000 1.012 88 L HN 0.125 nan 8.230 nan 0.000 0.461 89 R N 0.645 121.182 120.500 0.061 0.000 2.738 89 R HA 0.001 4.341 4.340 -0.001 0.000 0.268 89 R C 0.124 176.466 176.300 0.070 0.000 1.062 89 R CA -0.263 55.885 56.100 0.080 0.000 1.158 89 R CB 0.328 30.695 30.300 0.112 0.000 1.046 89 R HN -0.150 nan 8.270 nan 0.000 0.493 90 D N 2.443 122.882 120.400 0.063 0.000 2.608 90 D HA 0.123 4.763 4.640 -0.001 0.000 0.224 90 D C -1.027 175.303 176.300 0.050 0.000 1.123 90 D CA -0.139 53.894 54.000 0.055 0.000 1.030 90 D CB -0.145 40.683 40.800 0.047 0.000 1.093 90 D HN 0.272 nan 8.370 nan 0.000 0.497 91 V N -0.056 119.889 119.914 0.052 0.000 2.962 91 V HA 0.398 4.517 4.120 -0.001 0.000 0.313 91 V C 1.511 177.631 176.094 0.044 0.000 1.099 91 V CA -0.879 61.446 62.300 0.042 0.000 0.971 91 V CB 1.841 33.686 31.823 0.036 0.000 1.028 91 V HN 0.286 nan 8.190 nan 0.000 0.430 92 E N 3.267 123.489 120.200 0.036 0.000 2.132 92 E HA -0.251 4.099 4.350 -0.001 0.000 0.218 92 E C 1.285 177.920 176.600 0.058 0.000 1.058 92 E CA 2.606 59.031 56.400 0.041 0.000 0.882 92 E CB -0.479 29.240 29.700 0.032 0.000 0.774 92 E HN 1.166 nan 8.360 nan 0.000 0.467 93 G N 1.091 109.931 108.800 0.067 0.000 3.959 93 G HA2 0.244 4.204 3.960 -0.001 0.000 0.298 93 G HA3 0.244 4.204 3.960 -0.001 0.000 0.298 93 G C -0.044 174.941 174.900 0.141 0.000 1.211 93 G CA 0.156 45.318 45.100 0.103 0.000 1.001 93 G HN 0.376 nan 8.290 nan 0.000 0.561 94 S N -0.930 114.851 115.700 0.134 0.000 2.686 94 S HA 0.546 5.015 4.470 -0.001 0.000 0.270 94 S C 0.453 175.277 174.600 0.374 0.000 1.194 94 S CA -0.569 57.740 58.200 0.181 0.000 0.990 94 S CB 0.876 64.141 63.200 0.108 0.000 1.029 94 S HN -0.045 nan 8.310 nan 0.000 0.560 95 F N 0.369 120.308 119.950 -0.018 0.000 2.797 95 F HA 0.349 4.875 4.527 -0.001 0.000 0.302 95 F C 2.236 178.019 175.800 -0.028 0.000 1.130 95 F CA -0.799 57.177 58.000 -0.039 0.000 1.387 95 F CB -1.095 37.882 39.000 -0.039 0.000 1.107 95 F HN 0.697 nan 8.300 nan 0.000 0.577 96 R N 0.876 121.481 120.500 0.175 0.000 2.097 96 R HA -0.175 4.165 4.340 -0.001 0.000 0.236 96 R C 1.609 177.970 176.300 0.101 0.000 1.135 96 R CA 2.307 58.476 56.100 0.115 0.000 0.934 96 R CB -0.315 30.038 30.300 0.089 0.000 0.846 96 R HN 0.092 nan 8.270 nan 0.000 0.431 97 D N 0.267 120.714 120.400 0.078 0.000 2.178 97 D HA -0.193 4.447 4.640 -0.001 0.000 0.202 97 D C 1.872 178.221 176.300 0.083 0.000 0.974 97 D CA 1.188 55.240 54.000 0.088 0.000 0.841 97 D CB -0.139 40.692 40.800 0.053 0.000 0.953 97 D HN 0.389 nan 8.370 nan 0.000 0.478 98 M N 0.664 120.239 119.600 -0.041 0.000 2.086 98 M HA -0.161 4.318 4.480 -0.001 0.000 0.261 98 M C 2.069 178.281 176.300 -0.147 0.000 1.067 98 M CA 1.145 56.309 55.300 -0.226 0.000 1.116 98 M CB 0.018 32.320 32.600 -0.496 0.000 1.348 98 M HN -0.167 nan 8.290 nan 0.000 0.407 99 V N 1.374 121.288 119.914 -0.001 0.000 2.282 99 V HA -0.325 3.794 4.120 -0.001 0.000 0.249 99 V C 2.414 178.708 176.094 0.332 0.000 1.057 99 V CA 1.900 64.295 62.300 0.159 0.000 1.032 99 V CB -0.821 31.106 31.823 0.172 0.000 0.645 99 V HN 0.531 nan 8.190 nan 0.000 0.447 100 L N -1.586 119.828 121.223 0.319 0.000 2.017 100 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 100 L C 2.374 179.477 176.870 0.388 0.000 1.073 100 L CA 1.868 56.959 54.840 0.419 0.000 0.745 100 L CB -0.615 41.619 42.059 0.291 0.000 0.894 100 L HN 0.308 nan 8.230 nan 0.000 0.432 101 F N -0.683 119.417 119.950 0.249 0.000 2.186 101 F HA -0.253 4.274 4.527 -0.001 0.000 0.299 101 F C 2.353 178.347 175.800 0.323 0.000 1.090 101 F CA 1.404 59.553 58.000 0.247 0.000 1.307 101 F CB -0.152 39.004 39.000 0.261 0.000 1.019 101 F HN -0.032 nan 8.300 nan 0.000 0.489 102 Y N -0.089 120.436 120.300 0.376 0.000 2.314 102 Y HA 0.047 4.596 4.550 -0.001 0.000 0.293 102 Y C 2.599 178.621 175.900 0.202 0.000 1.129 102 Y CA 0.871 59.216 58.100 0.407 0.000 1.201 102 Y CB -1.344 37.340 38.460 0.373 0.000 0.999 102 Y HN 0.058 nan 8.280 nan 0.000 0.541 103 G N -1.287 107.622 108.800 0.182 0.000 2.920 103 G HA2 0.034 3.994 3.960 -0.001 0.000 0.208 103 G HA3 0.034 3.994 3.960 -0.001 0.000 0.208 103 G C 1.070 175.650 174.900 -0.533 0.000 1.159 103 G CA 0.270 45.156 45.100 -0.356 0.000 0.784 103 G HN 0.368 nan 8.290 nan 0.000 0.535 104 E N -0.508 119.589 120.200 -0.171 0.000 2.933 104 E HA 0.151 4.501 4.350 -0.001 0.000 0.246 104 E C 1.777 178.366 176.600 -0.018 0.000 1.066 104 E CA -0.314 56.020 56.400 -0.111 0.000 0.984 104 E CB 0.229 29.891 29.700 -0.063 0.000 2.860 104 E HN 0.031 nan 8.360 nan 0.000 0.586 105 E N 0.689 120.747 120.200 -0.236 0.000 2.070 105 E HA -0.172 4.177 4.350 -0.001 0.000 0.197 105 E C 1.623 178.368 176.600 0.240 0.000 1.004 105 E CA 1.440 57.764 56.400 -0.127 0.000 0.805 105 E CB -0.101 29.120 29.700 -0.799 0.000 0.744 105 E HN 0.151 nan 8.360 nan 0.000 0.451 106 F N -0.851 119.213 119.950 0.190 0.000 2.456 106 F HA 0.019 4.546 4.527 -0.001 0.000 0.298 106 F C 2.185 178.177 175.800 0.319 0.000 1.104 106 F CA 0.984 59.168 58.000 0.306 0.000 1.435 106 F CB -0.904 38.272 39.000 0.293 0.000 1.078 106 F HN 0.184 nan 8.300 nan 0.000 0.546 107 H N 0.241 119.486 119.070 0.290 0.000 2.353 107 H HA -0.035 4.520 4.556 -0.001 0.000 0.300 107 H C 2.227 177.638 175.328 0.140 0.000 1.090 107 H CA 1.709 57.849 56.048 0.154 0.000 1.327 107 H CB -0.090 29.662 29.762 -0.017 0.000 1.383 107 H HN 0.076 nan 8.280 nan 0.000 0.508 108 A N 0.908 123.803 122.820 0.126 0.000 1.908 108 A HA -0.123 4.196 4.320 -0.001 0.000 0.218 108 A C 2.613 180.157 177.584 -0.067 0.000 1.181 108 A CA 1.837 53.838 52.037 -0.061 0.000 0.627 108 A CB -1.409 17.497 19.000 -0.157 0.000 0.818 108 A HN 0.634 nan 8.150 nan 0.000 0.445 109 A N -1.938 120.962 122.820 0.134 0.000 1.933 109 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 109 A C 1.845 179.384 177.584 -0.075 0.000 1.175 109 A CA 1.292 53.369 52.037 0.066 0.000 0.628 109 A CB -0.767 18.402 19.000 0.282 0.000 0.814 109 A HN 0.748 nan 8.150 nan 0.000 0.444 110 W N -0.062 121.207 121.300 -0.052 0.000 3.256 110 W HA 0.093 4.752 4.660 -0.001 0.000 0.269 110 W C 2.117 178.553 176.519 -0.139 0.000 1.310 110 W CA 0.969 58.262 57.345 -0.087 0.000 1.673 110 W CB -0.052 29.365 29.460 -0.071 0.000 1.115 110 W HN 0.229 nan 8.180 nan 0.000 0.686 111 T N 1.201 115.748 114.554 -0.011 0.000 2.701 111 T HA -0.105 4.245 4.350 -0.001 0.000 0.263 111 T C -0.859 173.814 174.700 -0.045 0.000 1.040 111 T CA 1.088 63.143 62.100 -0.076 0.000 1.147 111 T CB -1.416 67.355 68.868 -0.161 0.000 0.865 111 T HN -0.074 nan 8.240 nan 0.000 0.426 112 P HA 0.426 nan 4.420 nan 0.000 0.235 112 P C 0.476 177.739 177.300 -0.061 0.000 1.725 112 P CA 0.110 63.167 63.100 -0.072 0.000 0.894 112 P CB -0.273 31.366 31.700 -0.102 0.000 1.704 113 A N -0.314 122.490 122.820 -0.026 0.000 1.972 113 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 113 A C 2.367 179.954 177.584 0.006 0.000 1.169 113 A CA 1.466 53.483 52.037 -0.033 0.000 0.635 113 A CB -1.517 17.552 19.000 0.114 0.000 0.810 113 A HN 0.424 nan 8.150 nan 0.000 0.446 114 C N -0.407 118.902 119.300 0.016 0.000 2.436 114 C HA -0.099 4.361 4.460 -0.001 0.000 0.277 114 C C 2.651 177.644 174.990 0.004 0.000 1.241 114 C CA 1.714 60.739 59.018 0.012 0.000 1.721 114 C CB -1.154 26.592 27.740 0.010 0.000 2.043 114 C HN 0.678 nan 8.230 nan 0.000 0.472 115 E N 1.072 121.269 120.200 -0.006 0.000 2.118 115 E HA -0.062 4.288 4.350 -0.001 0.000 0.195 115 E C 2.283 178.890 176.600 0.013 0.000 0.992 115 E CA 1.567 57.963 56.400 -0.007 0.000 0.804 115 E CB -0.514 29.173 29.700 -0.022 0.000 0.741 115 E HN 0.735 nan 8.360 nan 0.000 0.458 116 A N 0.455 123.287 122.820 0.020 0.000 1.858 116 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 116 A C 2.190 179.905 177.584 0.219 0.000 1.190 116 A CA 1.273 53.367 52.037 0.096 0.000 0.617 116 A CB -0.727 18.279 19.000 0.011 0.000 0.827 116 A HN 0.224 nan 8.150 nan 0.000 0.443 117 L N -0.501 120.787 121.223 0.107 0.000 2.217 117 L HA -0.091 4.248 4.340 -0.001 0.000 0.211 117 L C 2.460 179.285 176.870 -0.076 0.000 1.107 117 L CA 0.465 55.268 54.840 -0.061 0.000 0.783 117 L CB -0.327 41.679 42.059 -0.087 0.000 0.919 117 L HN 0.374 nan 8.230 nan 0.000 0.442 118 L N -0.841 120.369 121.223 -0.021 0.000 2.007 118 L HA -0.159 4.181 4.340 -0.001 0.000 0.205 118 L C 2.821 179.686 176.870 -0.008 0.000 1.073 118 L CA 1.737 56.564 54.840 -0.023 0.000 0.744 118 L CB -0.597 41.455 42.059 -0.011 0.000 0.898 118 L HN 0.381 nan 8.230 nan 0.000 0.435 119 S N -0.843 114.870 115.700 0.021 0.000 2.436 119 S HA 0.009 4.479 4.470 -0.001 0.000 0.228 119 S C 1.652 176.288 174.600 0.059 0.000 1.014 119 S CA 0.748 58.966 58.200 0.030 0.000 0.950 119 S CB 0.227 63.443 63.200 0.027 0.000 0.784 119 S HN 0.605 nan 8.310 nan 0.000 0.504 120 G N 0.365 109.240 108.800 0.124 0.000 2.176 120 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.253 120 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.253 120 G C 0.168 175.235 174.900 0.278 0.000 0.979 120 G CA 0.305 45.544 45.100 0.232 0.000 0.641 120 G HN 0.675 nan 8.290 nan 0.000 0.530 121 T N 3.333 117.970 114.554 0.138 0.000 2.794 121 T HA 0.498 4.848 4.350 -0.001 0.000 0.296 121 T C -2.129 172.496 174.700 -0.124 0.000 0.949 121 T CA -0.688 61.419 62.100 0.012 0.000 1.101 121 T CB 1.764 70.630 68.868 -0.003 0.000 0.905 121 T HN 0.074 nan 8.240 nan 0.000 0.516 122 P HA 0.082 nan 4.420 nan 0.000 0.266 122 P C 1.229 178.309 177.300 -0.367 0.000 1.195 122 P CA 0.017 62.712 63.100 -0.675 0.000 0.768 122 P CB 0.391 31.759 31.700 -0.553 0.000 0.838 123 G N 2.066 110.613 108.800 -0.422 0.000 2.475 123 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.220 123 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.220 123 G C 1.282 176.084 174.900 -0.164 0.000 1.125 123 G CA 0.305 45.238 45.100 -0.277 0.000 0.755 123 G HN 0.460 nan 8.290 nan 0.000 0.565 124 F N 1.286 121.091 119.950 -0.242 0.000 2.095 124 F HA -0.079 4.448 4.527 -0.000 0.000 0.298 124 F C 2.562 178.389 175.800 0.045 0.000 1.104 124 F CA 2.173 60.160 58.000 -0.022 0.000 1.232 124 F CB -0.187 38.774 39.000 -0.065 0.000 0.987 124 F HN 0.318 nan 8.300 nan 0.000 0.475 125 E N 0.245 120.543 120.200 0.164 0.000 2.077 125 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 125 E C 2.288 178.872 176.600 -0.027 0.000 0.989 125 E CA 1.528 57.990 56.400 0.104 0.000 0.800 125 E CB -0.302 29.435 29.700 0.062 0.000 0.746 125 E HN 0.526 nan 8.360 nan 0.000 0.452 126 L N 0.380 121.554 121.223 -0.082 0.000 2.012 126 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 126 L C 2.683 179.445 176.870 -0.179 0.000 1.073 126 L CA 1.287 56.061 54.840 -0.111 0.000 0.748 126 L CB -0.538 41.455 42.059 -0.109 0.000 0.891 126 L HN 0.238 nan 8.230 nan 0.000 0.431 127 A N -0.715 121.941 122.820 -0.272 0.000 1.930 127 A HA -0.140 4.179 4.320 -0.001 0.000 0.217 127 A C 1.860 179.041 177.584 -0.671 0.000 1.175 127 A CA 1.538 53.282 52.037 -0.489 0.000 0.627 127 A CB -0.485 18.140 19.000 -0.625 0.000 0.815 127 A HN 0.382 nan 8.150 nan 0.000 0.443 128 F N -1.612 118.063 119.950 -0.458 0.000 2.720 128 F HA 0.365 4.891 4.527 -0.000 0.000 0.301 128 F C 1.747 177.438 175.800 -0.182 0.000 1.103 128 F CA 0.552 58.301 58.000 -0.418 0.000 1.291 128 F CB 0.444 38.964 39.000 -0.801 0.000 1.086 128 F HN 0.345 nan 8.300 nan 0.000 0.592 129 G N 1.273 110.067 108.800 -0.011 0.000 2.176 129 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.252 129 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.252 129 G C 0.001 174.952 174.900 0.086 0.000 1.024 129 G CA 0.496 45.610 45.100 0.023 0.000 0.755 129 G HN 0.414 nan 8.290 nan 0.000 0.507 130 E N -0.093 120.191 120.200 0.140 0.000 2.378 130 E HA 0.388 4.738 4.350 -0.001 0.000 0.283 130 E C -0.585 176.180 176.600 0.276 0.000 0.979 130 E CA -0.427 56.091 56.400 0.196 0.000 0.795 130 E CB 1.073 30.926 29.700 0.256 0.000 1.221 130 E HN 0.298 nan 8.360 nan 0.000 0.428 131 D N 2.049 122.571 120.400 0.203 0.000 2.362 131 D HA 0.014 4.654 4.640 -0.001 0.000 0.242 131 D C 0.876 177.263 176.300 0.145 0.000 1.132 131 D CA -0.445 53.666 54.000 0.186 0.000 0.907 131 D CB 0.602 41.466 40.800 0.106 0.000 1.195 131 D HN 0.333 nan 8.370 nan 0.000 0.429 132 F N 1.595 121.390 119.950 -0.258 0.000 2.043 132 F HA -0.219 4.307 4.527 -0.001 0.000 0.297 132 F C 1.401 176.867 175.800 -0.557 0.000 1.121 132 F CA 1.458 58.941 58.000 -0.862 0.000 1.199 132 F CB -0.507 37.789 39.000 -1.173 0.000 0.968 132 F HN 0.469 nan 8.300 nan 0.000 0.478 133 Y N 0.026 120.161 120.300 -0.275 0.000 2.293 133 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 133 Y C 2.773 178.557 175.900 -0.194 0.000 1.137 133 Y CA 1.280 59.200 58.100 -0.301 0.000 1.202 133 Y CB -1.211 37.179 38.460 -0.116 0.000 0.990 133 Y HN 0.024 nan 8.280 nan 0.000 0.537 134 S N -0.748 114.974 115.700 0.036 0.000 2.356 134 S HA -0.248 4.222 4.470 -0.001 0.000 0.223 134 S C 1.819 176.429 174.600 0.016 0.000 1.032 134 S CA 1.384 59.608 58.200 0.040 0.000 1.005 134 S CB -0.779 62.467 63.200 0.075 0.000 0.867 134 S HN 0.587 nan 8.310 nan 0.000 0.449 135 Y N 2.451 122.681 120.300 -0.117 0.000 2.114 135 Y HA -0.175 4.374 4.550 -0.001 0.000 0.282 135 Y C 1.915 177.691 175.900 -0.206 0.000 1.165 135 Y CA 1.448 59.474 58.100 -0.123 0.000 1.148 135 Y CB -0.481 37.943 38.460 -0.061 0.000 0.972 135 Y HN 0.141 nan 8.280 nan 0.000 0.504 136 L N 0.309 121.323 121.223 -0.347 0.000 2.046 136 L HA -0.229 4.110 4.340 -0.001 0.000 0.208 136 L C 2.482 179.221 176.870 -0.219 0.000 1.077 136 L CA 2.033 56.651 54.840 -0.369 0.000 0.747 136 L CB -0.715 41.086 42.059 -0.430 0.000 0.896 136 L HN 0.245 nan 8.230 nan 0.000 0.432 137 K N 0.689 121.006 120.400 -0.140 0.000 2.097 137 K HA -0.200 4.120 4.320 -0.001 0.000 0.205 137 K C 2.142 178.686 176.600 -0.093 0.000 1.050 137 K CA 1.377 57.615 56.287 -0.080 0.000 0.938 137 K CB -0.332 32.146 32.500 -0.037 0.000 0.718 137 K HN 0.074 nan 8.250 nan 0.000 0.442 138 R N -0.589 119.841 120.500 -0.117 0.000 2.090 138 R HA 0.031 4.371 4.340 -0.001 0.000 0.228 138 R C -0.129 176.081 176.300 -0.149 0.000 1.110 138 R CA 1.196 57.233 56.100 -0.105 0.000 0.973 138 R CB -0.256 30.001 30.300 -0.071 0.000 0.869 138 R HN 0.326 nan 8.270 nan 0.000 0.440 139 C N 2.214 121.353 119.300 -0.268 0.000 2.206 139 C HA 0.459 4.918 4.460 -0.001 0.000 0.324 139 C C -1.654 173.211 174.990 -0.208 0.000 1.120 139 C CA -2.502 56.345 59.018 -0.285 0.000 1.546 139 C CB 1.038 28.449 27.740 -0.548 0.000 2.023 139 C HN 0.336 nan 8.230 nan 0.000 0.448 140 P HA -0.152 nan 4.420 nan 0.000 0.216 140 P C 1.135 178.409 177.300 -0.044 0.000 1.150 140 P CA 1.544 64.603 63.100 -0.069 0.000 0.843 140 P CB 0.214 31.889 31.700 -0.041 0.000 0.787 141 D N -0.721 119.657 120.400 -0.037 0.000 2.144 141 D HA -0.135 4.504 4.640 -0.001 0.000 0.199 141 D C 1.870 178.194 176.300 0.041 0.000 0.984 141 D CA 1.326 55.331 54.000 0.009 0.000 0.834 141 D CB -0.534 40.278 40.800 0.020 0.000 0.955 141 D HN -0.007 nan 8.370 nan 0.000 0.465 142 A N 0.025 122.836 122.820 -0.015 0.000 1.898 142 A HA 0.095 4.415 4.320 -0.001 0.000 0.216 142 A C 2.378 180.035 177.584 0.121 0.000 1.181 142 A CA 1.733 53.820 52.037 0.083 0.000 0.620 142 A CB -1.329 17.561 19.000 -0.183 0.000 0.819 142 A HN 0.354 nan 8.150 nan 0.000 0.442 143 G N -0.461 108.326 108.800 -0.022 0.000 2.446 143 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 143 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 143 G C 1.760 176.699 174.900 0.064 0.000 1.168 143 G CA 1.174 46.279 45.100 0.009 0.000 0.771 143 G HN 0.522 nan 8.290 nan 0.000 0.551 144 R N -0.085 120.443 120.500 0.046 0.000 2.094 144 R HA -0.031 4.308 4.340 -0.001 0.000 0.239 144 R C 2.884 179.225 176.300 0.068 0.000 1.137 144 R CA 1.641 57.769 56.100 0.047 0.000 0.943 144 R CB -0.249 30.073 30.300 0.038 0.000 0.850 144 R HN 0.276 nan 8.270 nan 0.000 0.433 145 R N -1.061 119.520 120.500 0.134 0.000 2.120 145 R HA -0.150 4.190 4.340 -0.001 0.000 0.234 145 R C 2.109 178.462 176.300 0.087 0.000 1.123 145 R CA 1.376 57.593 56.100 0.194 0.000 0.975 145 R CB -0.341 30.183 30.300 0.373 0.000 0.866 145 R HN 0.215 nan 8.270 nan 0.000 0.446 146 F N 1.418 121.261 119.950 -0.178 0.000 2.186 146 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 146 F C 1.834 177.488 175.800 -0.244 0.000 1.090 146 F CA 1.147 58.819 58.000 -0.547 0.000 1.307 146 F CB -0.196 38.476 39.000 -0.547 0.000 1.019 146 F HN -0.114 nan 8.300 nan 0.000 0.489 147 L N -0.668 120.432 121.223 -0.205 0.000 2.012 147 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 147 L C 2.399 179.138 176.870 -0.218 0.000 1.073 147 L CA 0.717 55.428 54.840 -0.214 0.000 0.748 147 L CB -0.847 41.174 42.059 -0.063 0.000 0.891 147 L HN 0.171 nan 8.230 nan 0.000 0.431 148 L N -0.060 121.084 121.223 -0.132 0.000 2.083 148 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 148 L C 2.773 179.553 176.870 -0.150 0.000 1.083 148 L CA 2.030 56.815 54.840 -0.092 0.000 0.752 148 L CB -1.474 40.577 42.059 -0.013 0.000 0.899 148 L HN 0.185 nan 8.230 nan 0.000 0.433 149 A N -1.570 121.116 122.820 -0.222 0.000 1.930 149 A HA -0.175 4.144 4.320 -0.001 0.000 0.217 149 A C 2.161 179.519 177.584 -0.376 0.000 1.175 149 A CA 1.391 53.272 52.037 -0.261 0.000 0.627 149 A CB -0.367 18.494 19.000 -0.232 0.000 0.815 149 A HN 0.297 nan 8.150 nan 0.000 0.443 150 M N -0.172 119.118 119.600 -0.517 0.000 2.476 150 M HA -0.026 4.454 4.480 -0.001 0.000 0.262 150 M C 1.605 177.701 176.300 -0.340 0.000 1.079 150 M CA 1.009 56.027 55.300 -0.469 0.000 1.104 150 M CB -0.994 31.273 32.600 -0.555 0.000 1.409 150 M HN 0.402 nan 8.290 nan 0.000 0.467 151 K N 0.146 120.390 120.400 -0.260 0.000 2.281 151 K HA -0.094 4.225 4.320 -0.001 0.000 0.203 151 K C 1.933 178.410 176.600 -0.205 0.000 1.046 151 K CA 1.233 57.408 56.287 -0.186 0.000 0.938 151 K CB -0.210 32.233 32.500 -0.097 0.000 0.737 151 K HN 0.304 nan 8.250 nan 0.000 0.458 152 A N 0.865 123.512 122.820 -0.288 0.000 2.024 152 A HA -0.144 4.175 4.320 -0.001 0.000 0.220 152 A C 2.025 179.382 177.584 -0.378 0.000 1.164 152 A CA 1.676 53.468 52.037 -0.409 0.000 0.643 152 A CB -0.278 18.207 19.000 -0.857 0.000 0.806 152 A HN 0.147 nan 8.150 nan 0.000 0.451 153 S N 0.281 115.730 115.700 -0.418 0.000 2.603 153 S HA -0.029 4.441 4.470 -0.001 0.000 0.220 153 S C 1.324 175.542 174.600 -0.636 0.000 0.967 153 S CA 0.239 58.144 58.200 -0.492 0.000 0.920 153 S CB -0.363 62.506 63.200 -0.550 0.000 0.773 153 S HN 0.629 nan 8.310 nan 0.000 0.529 154 N N 1.841 120.258 118.700 -0.472 0.000 2.430 154 N HA -0.019 4.721 4.740 -0.001 0.000 0.186 154 N C 1.258 176.600 175.510 -0.281 0.000 1.032 154 N CA 0.433 53.228 53.050 -0.426 0.000 0.893 154 N CB -0.430 37.913 38.487 -0.241 0.000 0.957 154 N HN 0.269 nan 8.380 nan 0.000 0.442 155 L N 0.645 121.805 121.223 -0.105 0.000 2.043 155 L HA -0.188 4.152 4.340 -0.001 0.000 0.212 155 L C 2.210 179.072 176.870 -0.013 0.000 1.075 155 L CA 1.690 56.553 54.840 0.038 0.000 0.752 155 L CB -0.741 41.376 42.059 0.097 0.000 0.891 155 L HN 0.155 nan 8.230 nan 0.000 0.432 156 A N -1.544 121.193 122.820 -0.138 0.000 1.897 156 A HA -0.136 4.184 4.320 -0.001 0.000 0.215 156 A C 2.091 179.702 177.584 0.045 0.000 1.181 156 A CA 1.035 53.027 52.037 -0.075 0.000 0.620 156 A CB -0.741 18.167 19.000 -0.154 0.000 0.821 156 A HN 0.306 nan 8.150 nan 0.000 0.443 157 F N 0.440 120.290 119.950 -0.167 0.000 2.161 157 F HA -0.152 4.374 4.527 -0.001 0.000 0.300 157 F C 2.417 178.099 175.800 -0.195 0.000 1.089 157 F CA 1.094 58.961 58.000 -0.222 0.000 1.282 157 F CB -1.143 37.662 39.000 -0.325 0.000 1.010 157 F HN 0.378 nan 8.300 nan 0.000 0.485 158 H N -0.355 118.790 119.070 0.126 0.000 2.462 158 H HA -0.042 4.513 4.556 -0.001 0.000 0.292 158 H C 2.055 177.402 175.328 0.032 0.000 1.049 158 H CA 0.950 57.026 56.048 0.048 0.000 1.334 158 H CB -0.084 29.697 29.762 0.031 0.000 1.404 158 H HN 0.223 nan 8.280 nan 0.000 0.544 159 E N 0.691 120.980 120.200 0.147 0.000 2.208 159 E HA -0.064 4.285 4.350 -0.001 0.000 0.193 159 E C 2.455 179.108 176.600 0.088 0.000 0.988 159 E CA 0.092 56.551 56.400 0.098 0.000 0.828 159 E CB -0.067 29.678 29.700 0.075 0.000 0.763 159 E HN 0.479 nan 8.360 nan 0.000 0.478 160 I N 1.776 122.397 120.570 0.085 0.000 2.127 160 I HA -0.238 3.932 4.170 -0.001 0.000 0.241 160 I C -0.629 175.578 176.117 0.149 0.000 1.075 160 I CA 1.438 62.792 61.300 0.090 0.000 1.334 160 I CB -1.238 36.789 38.000 0.046 0.000 1.040 160 I HN 0.077 nan 8.210 nan 0.000 0.405 161 P HA -0.088 nan 4.420 nan 0.000 0.237 161 P C 1.138 178.526 177.300 0.148 0.000 1.178 161 P CA 1.201 64.391 63.100 0.150 0.000 0.766 161 P CB -0.115 31.529 31.700 -0.093 0.000 0.876 162 R N -0.617 119.943 120.500 0.100 0.000 2.161 162 R HA 0.161 4.501 4.340 -0.001 0.000 0.213 162 R C 2.271 178.614 176.300 0.072 0.000 1.055 162 R CA 0.673 56.819 56.100 0.076 0.000 0.996 162 R CB -0.421 29.914 30.300 0.058 0.000 0.901 162 R HN 0.245 nan 8.270 nan 0.000 0.456 163 L N 0.337 121.608 121.223 0.080 0.000 2.307 163 L HA 0.148 4.488 4.340 -0.001 0.000 0.211 163 L C 0.610 177.506 176.870 0.044 0.000 1.099 163 L CA 0.398 55.272 54.840 0.056 0.000 0.816 163 L CB 0.169 42.258 42.059 0.050 0.000 0.952 163 L HN 0.000 nan 8.230 nan 0.000 0.455 164 L N -0.711 120.556 121.223 0.074 0.000 2.334 164 L HA 0.380 4.719 4.340 -0.001 0.000 0.273 164 L C -0.818 176.042 176.870 -0.016 0.000 1.013 164 L CA -0.778 54.042 54.840 -0.032 0.000 0.816 164 L CB 1.698 43.666 42.059 -0.153 0.000 1.278 164 L HN -0.173 nan 8.230 nan 0.000 0.431 165 D N 1.021 121.345 120.400 -0.128 0.000 2.380 165 D HA 0.216 4.855 4.640 -0.001 0.000 0.230 165 D C 0.054 176.260 176.300 -0.156 0.000 1.154 165 D CA -0.080 53.889 54.000 -0.052 0.000 0.859 165 D CB 0.768 41.545 40.800 -0.038 0.000 1.045 165 D HN 0.248 nan 8.370 nan 0.000 0.495 166 F N 1.852 121.806 119.950 0.006 0.000 2.727 166 F HA 0.237 4.763 4.527 -0.001 0.000 0.302 166 F C 1.346 177.173 175.800 0.046 0.000 1.097 166 F CA -0.323 57.695 58.000 0.031 0.000 1.330 166 F CB 0.130 39.139 39.000 0.014 0.000 1.084 166 F HN 0.023 nan 8.300 nan 0.000 0.578 167 R N 0.441 121.041 120.500 0.167 0.000 2.480 167 R HA 0.250 4.589 4.340 -0.001 0.000 0.303 167 R C 1.390 177.740 176.300 0.083 0.000 0.985 167 R CA 1.013 57.179 56.100 0.111 0.000 1.051 167 R CB -0.223 30.120 30.300 0.072 0.000 0.935 167 R HN 0.449 nan 8.270 nan 0.000 0.410 168 G N 2.754 111.604 108.800 0.084 0.000 2.267 168 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.257 168 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.257 168 G C 0.261 175.200 174.900 0.066 0.000 0.998 168 G CA 0.156 45.291 45.100 0.059 0.000 0.620 168 G HN 0.534 nan 8.290 nan 0.000 0.529 169 R N 0.567 121.126 120.500 0.099 0.000 2.607 169 R HA 0.645 4.985 4.340 -0.001 0.000 0.261 169 R C 0.450 176.836 176.300 0.143 0.000 1.051 169 R CA 0.181 56.336 56.100 0.093 0.000 1.110 169 R CB 1.176 31.499 30.300 0.038 0.000 1.158 169 R HN 0.452 nan 8.270 nan 0.000 0.543 170 S N 0.923 116.679 115.700 0.093 0.000 2.501 170 S HA 0.664 5.134 4.470 -0.001 0.000 0.301 170 S C -0.559 174.099 174.600 0.097 0.000 1.096 170 S CA -0.882 57.335 58.200 0.028 0.000 1.063 170 S CB 0.804 63.971 63.200 -0.055 0.000 1.042 170 S HN 0.498 nan 8.310 nan 0.000 0.494 171 F N -0.244 119.702 119.950 -0.006 0.000 2.611 171 F HA 0.900 5.426 4.527 -0.001 0.000 0.324 171 F C -1.451 174.221 175.800 -0.214 0.000 1.061 171 F CA -1.477 56.480 58.000 -0.071 0.000 0.954 171 F CB 1.143 40.237 39.000 0.158 0.000 1.301 171 F HN 0.390 nan 8.300 nan 0.000 0.482 172 V N 1.416 121.232 119.914 -0.162 0.000 2.443 172 V HA 0.256 4.375 4.120 -0.001 0.000 0.293 172 V C -1.302 174.789 176.094 -0.005 0.000 1.021 172 V CA -0.534 61.617 62.300 -0.248 0.000 0.848 172 V CB 1.314 32.795 31.823 -0.570 0.000 0.998 172 V HN 0.802 nan 8.190 nan 0.000 0.424 173 D N 4.218 124.670 120.400 0.088 0.000 2.441 173 D HA 0.187 4.826 4.640 -0.001 0.000 0.221 173 D C -0.087 176.227 176.300 0.024 0.000 1.156 173 D CA -0.017 54.027 54.000 0.074 0.000 0.896 173 D CB 1.514 42.370 40.800 0.094 0.000 1.028 173 D HN 0.459 nan 8.370 nan 0.000 0.509 174 V N 2.316 122.251 119.914 0.035 0.000 2.432 174 V HA 0.617 4.736 4.120 -0.001 0.000 0.271 174 V C 0.979 177.085 176.094 0.019 0.000 1.046 174 V CA 0.423 62.748 62.300 0.042 0.000 0.945 174 V CB 0.568 32.445 31.823 0.090 0.000 0.992 174 V HN 0.728 nan 8.190 nan 0.000 0.471 175 G N 3.993 112.800 108.800 0.010 0.000 2.248 175 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.263 175 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.263 175 G C 0.773 175.670 174.900 -0.005 0.000 1.082 175 G CA 0.240 45.340 45.100 0.001 0.000 0.863 175 G HN 1.866 nan 8.290 nan 0.000 0.495 176 G N -0.569 108.225 108.800 -0.010 0.000 2.598 176 G HA2 0.453 4.412 3.960 -0.001 0.000 0.215 176 G HA3 0.453 4.412 3.960 -0.001 0.000 0.215 176 G C 1.875 176.767 174.900 -0.013 0.000 1.131 176 G CA 1.610 46.697 45.100 -0.023 0.000 0.785 176 G HN 2.153 nan 8.290 nan 0.000 0.539 177 G N 0.236 109.034 108.800 -0.004 0.000 2.591 177 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.298 177 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.298 177 G C 1.684 176.586 174.900 0.004 0.000 1.195 177 G CA 1.700 46.804 45.100 0.006 0.000 0.989 177 G HN 1.363 nan 8.290 nan 0.000 0.551 178 S N 0.658 116.366 115.700 0.013 0.000 2.515 178 S HA 0.371 4.840 4.470 -0.001 0.000 0.231 178 S C 2.257 176.858 174.600 0.001 0.000 0.987 178 S CA 1.471 59.676 58.200 0.008 0.000 0.936 178 S CB 0.121 63.326 63.200 0.009 0.000 0.766 178 S HN 2.854 nan 8.310 nan 0.000 0.528 179 G N 0.933 109.730 108.800 -0.006 0.000 2.131 179 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.223 179 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.223 179 G C 0.560 175.434 174.900 -0.043 0.000 0.990 179 G CA 0.250 45.334 45.100 -0.026 0.000 0.671 179 G HN 0.408 nan 8.290 nan 0.000 0.521 180 E N -0.491 119.703 120.200 -0.009 0.000 2.110 180 E HA -0.067 4.282 4.350 -0.001 0.000 0.193 180 E C 2.555 179.081 176.600 -0.124 0.000 0.988 180 E CA 1.296 57.712 56.400 0.026 0.000 0.804 180 E CB -0.106 29.706 29.700 0.187 0.000 0.745 180 E HN 0.597 nan 8.360 nan 0.000 0.458 181 L N 1.168 122.107 121.223 -0.474 0.000 2.027 181 L HA -0.112 4.227 4.340 -0.001 0.000 0.206 181 L C 2.174 178.735 176.870 -0.516 0.000 1.074 181 L CA 1.935 56.232 54.840 -0.905 0.000 0.745 181 L CB -1.068 40.227 42.059 -1.273 0.000 0.898 181 L HN -0.003 nan 8.230 nan 0.000 0.433 182 T N 0.045 114.414 114.554 -0.308 0.000 2.684 182 T HA -0.256 4.094 4.350 -0.001 0.000 0.267 182 T C 1.870 176.508 174.700 -0.103 0.000 1.036 182 T CA 1.920 63.946 62.100 -0.122 0.000 1.148 182 T CB -0.238 68.676 68.868 0.077 0.000 0.863 182 T HN 0.399 nan 8.240 nan 0.000 0.436 183 K N 1.098 121.447 120.400 -0.084 0.000 2.057 183 K HA -0.029 4.290 4.320 -0.001 0.000 0.207 183 K C 2.545 179.115 176.600 -0.049 0.000 1.049 183 K CA 1.291 57.555 56.287 -0.038 0.000 0.931 183 K CB -0.382 32.114 32.500 -0.008 0.000 0.714 183 K HN 0.261 nan 8.250 nan 0.000 0.440 184 A N 1.608 124.379 122.820 -0.081 0.000 1.917 184 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 184 A C 2.129 179.633 177.584 -0.134 0.000 1.182 184 A CA 1.802 53.819 52.037 -0.033 0.000 0.633 184 A CB -0.622 18.302 19.000 -0.127 0.000 0.819 184 A HN 0.389 nan 8.150 nan 0.000 0.448 185 I N -0.568 119.795 120.570 -0.345 0.000 2.202 185 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 185 I C 2.244 178.184 176.117 -0.295 0.000 1.091 185 I CA 1.224 62.188 61.300 -0.560 0.000 1.368 185 I CB -0.310 36.966 38.000 -1.206 0.000 1.058 185 I HN 0.260 nan 8.210 nan 0.000 0.410 186 L N -0.035 121.106 121.223 -0.136 0.000 2.275 186 L HA -0.163 4.177 4.340 -0.001 0.000 0.215 186 L C 2.474 179.333 176.870 -0.019 0.000 1.119 186 L CA 0.651 55.480 54.840 -0.019 0.000 0.790 186 L CB -0.544 41.542 42.059 0.046 0.000 0.919 186 L HN 0.283 nan 8.230 nan 0.000 0.443 187 Q N -0.043 119.743 119.800 -0.025 0.000 2.187 187 Q HA 0.018 4.357 4.340 -0.001 0.000 0.199 187 Q C 2.427 178.418 176.000 -0.015 0.000 0.957 187 Q CA 1.423 57.222 55.803 -0.007 0.000 0.857 187 Q CB -0.365 28.382 28.738 0.014 0.000 0.929 187 Q HN 0.486 nan 8.270 nan 0.000 0.453 188 A N 0.571 123.374 122.820 -0.029 0.000 1.930 188 A HA -0.049 4.271 4.320 -0.001 0.000 0.215 188 A C 0.789 178.367 177.584 -0.011 0.000 1.176 188 A CA 0.950 52.972 52.037 -0.023 0.000 0.632 188 A CB 0.164 19.147 19.000 -0.029 0.000 0.819 188 A HN 0.145 nan 8.150 nan 0.000 0.445 189 E N -0.515 119.675 120.200 -0.018 0.000 2.518 189 E HA 0.287 4.636 4.350 -0.001 0.000 0.240 189 E C -2.214 174.405 176.600 0.032 0.000 0.996 189 E CA -2.462 53.952 56.400 0.023 0.000 0.768 189 E CB 1.375 31.114 29.700 0.066 0.000 1.329 189 E HN 0.131 nan 8.360 nan 0.000 0.408 190 P HA -0.129 nan 4.420 nan 0.000 0.222 190 P C 0.841 178.163 177.300 0.037 0.000 1.147 190 P CA 0.800 63.915 63.100 0.026 0.000 0.790 190 P CB 0.378 32.088 31.700 0.017 0.000 0.780 191 S N -1.509 114.221 115.700 0.050 0.000 2.575 191 S HA 0.314 4.783 4.470 -0.001 0.000 0.215 191 S C 1.013 175.664 174.600 0.085 0.000 0.966 191 S CA -0.319 57.914 58.200 0.055 0.000 0.911 191 S CB -0.730 62.500 63.200 0.050 0.000 0.780 191 S HN 0.146 nan 8.310 nan 0.000 0.514 192 A N 2.153 125.046 122.820 0.122 0.000 2.386 192 A HA 0.666 4.985 4.320 -0.001 0.000 0.248 192 A C 0.302 177.967 177.584 0.135 0.000 1.082 192 A CA -0.470 51.692 52.037 0.208 0.000 0.789 192 A CB 0.381 19.561 19.000 0.299 0.000 1.025 192 A HN 0.481 nan 8.150 nan 0.000 0.490 193 R N 0.210 120.755 120.500 0.074 0.000 2.686 193 R HA 0.714 5.053 4.340 -0.001 0.000 0.286 193 R C -0.222 175.789 176.300 -0.481 0.000 0.969 193 R CA -0.197 55.831 56.100 -0.119 0.000 0.898 193 R CB 2.102 32.347 30.300 -0.092 0.000 1.183 193 R HN 1.057 nan 8.270 nan 0.000 0.456 194 G N 0.058 108.423 108.800 -0.725 0.000 2.704 194 G HA2 0.536 4.496 3.960 -0.001 0.000 0.293 194 G HA3 0.536 4.496 3.960 -0.001 0.000 0.293 194 G C -1.614 172.878 174.900 -0.681 0.000 1.421 194 G CA -0.390 43.875 45.100 -1.392 0.000 0.870 194 G HN 0.237 nan 8.290 nan 0.000 0.492 195 V N 1.704 121.275 119.914 -0.572 0.000 2.540 195 V HA 0.587 4.706 4.120 -0.001 0.000 0.302 195 V C -0.053 175.938 176.094 -0.171 0.000 1.035 195 V CA -0.654 61.480 62.300 -0.277 0.000 0.873 195 V CB 1.789 33.491 31.823 -0.202 0.000 0.992 195 V HN 0.794 nan 8.190 nan 0.000 0.428 196 M N 5.183 124.728 119.600 -0.093 0.000 2.149 196 M HA 0.559 5.038 4.480 -0.001 0.000 0.342 196 M C -1.452 174.829 176.300 -0.031 0.000 1.068 196 M CA -0.813 54.467 55.300 -0.035 0.000 0.991 196 M CB 1.430 34.022 32.600 -0.013 0.000 1.596 196 M HN 0.623 nan 8.290 nan 0.000 0.439 197 L N 5.502 126.715 121.223 -0.017 0.000 2.309 197 L HA 0.593 4.933 4.340 -0.001 0.000 0.282 197 L C -0.843 176.024 176.870 -0.004 0.000 1.036 197 L CA 0.466 55.302 54.840 -0.007 0.000 0.806 197 L CB 1.156 43.220 42.059 0.009 0.000 1.220 197 L HN 0.710 nan 8.230 nan 0.000 0.429 198 D N 2.035 122.431 120.400 -0.006 0.000 2.759 198 D HA 0.313 4.953 4.640 -0.001 0.000 0.321 198 D C -1.047 175.249 176.300 -0.008 0.000 1.267 198 D CA -0.713 53.283 54.000 -0.007 0.000 0.933 198 D CB 1.928 42.721 40.800 -0.011 0.000 1.431 198 D HN 0.481 nan 8.370 nan 0.000 0.504 199 R N 0.664 121.157 120.500 -0.011 0.000 2.537 199 R HA 0.142 4.481 4.340 -0.001 0.000 0.280 199 R C 0.018 176.312 176.300 -0.010 0.000 1.058 199 R CA -0.099 55.994 56.100 -0.011 0.000 1.057 199 R CB 0.396 30.686 30.300 -0.016 0.000 0.973 199 R HN 0.334 nan 8.270 nan 0.000 0.438 200 E N 2.454 122.649 120.200 -0.008 0.000 2.414 200 E HA 0.185 4.535 4.350 -0.001 0.000 0.263 200 E C 0.582 177.176 176.600 -0.009 0.000 1.000 200 E CA 0.202 56.597 56.400 -0.008 0.000 0.914 200 E CB 0.669 30.365 29.700 -0.006 0.000 0.948 200 E HN 0.797 nan 8.360 nan 0.000 0.444 201 G N 2.541 111.336 108.800 -0.009 0.000 2.176 201 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.232 201 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.232 201 G C 0.836 175.730 174.900 -0.011 0.000 0.986 201 G CA 0.263 45.357 45.100 -0.009 0.000 0.643 201 G HN 0.494 nan 8.290 nan 0.000 0.522 202 S N -0.232 115.460 115.700 -0.012 0.000 2.523 202 S HA 0.314 4.784 4.470 -0.001 0.000 0.217 202 S C 1.913 176.506 174.600 -0.011 0.000 0.996 202 S CA 0.302 58.494 58.200 -0.013 0.000 0.921 202 S CB 0.149 63.339 63.200 -0.017 0.000 0.829 202 S HN 0.383 nan 8.310 nan 0.000 0.495 203 L N 1.460 122.676 121.223 -0.011 0.000 2.552 203 L HA 0.103 4.443 4.340 -0.001 0.000 0.227 203 L C 2.499 179.364 176.870 -0.009 0.000 1.146 203 L CA 0.416 55.250 54.840 -0.010 0.000 0.858 203 L CB -0.877 41.175 42.059 -0.011 0.000 0.969 203 L HN 0.388 nan 8.230 nan 0.000 0.451 204 G N 0.634 109.429 108.800 -0.008 0.000 2.553 204 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.218 204 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.218 204 G C 1.530 176.427 174.900 -0.005 0.000 1.195 204 G CA 1.367 46.463 45.100 -0.007 0.000 0.779 204 G HN 0.200 nan 8.290 nan 0.000 0.577 205 V N 1.547 121.458 119.914 -0.004 0.000 2.295 205 V HA -0.130 3.990 4.120 -0.001 0.000 0.246 205 V C 3.336 179.429 176.094 -0.002 0.000 1.049 205 V CA 2.199 64.498 62.300 -0.001 0.000 1.024 205 V CB -1.074 30.750 31.823 0.002 0.000 0.648 205 V HN 0.518 nan 8.190 nan 0.000 0.447 206 A N -0.255 122.563 122.820 -0.004 0.000 1.969 206 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 206 A C 2.409 179.990 177.584 -0.006 0.000 1.169 206 A CA 1.865 53.899 52.037 -0.005 0.000 0.635 206 A CB -0.564 18.431 19.000 -0.008 0.000 0.810 206 A HN 0.480 nan 8.150 nan 0.000 0.445 207 R N -0.462 120.034 120.500 -0.007 0.000 2.115 207 R HA -0.141 4.198 4.340 -0.001 0.000 0.230 207 R C 1.912 178.209 176.300 -0.005 0.000 1.111 207 R CA 1.625 57.721 56.100 -0.008 0.000 0.976 207 R CB -0.230 30.065 30.300 -0.008 0.000 0.870 207 R HN 0.665 nan 8.270 nan 0.000 0.445 208 D N -0.270 120.128 120.400 -0.004 0.000 2.110 208 D HA -0.148 4.491 4.640 -0.001 0.000 0.202 208 D C 1.395 177.695 176.300 0.000 0.000 0.975 208 D CA 0.926 54.925 54.000 -0.001 0.000 0.839 208 D CB -0.057 40.743 40.800 -0.000 0.000 0.996 208 D HN 0.124 nan 8.370 nan 0.000 0.464 209 N N 0.246 118.946 118.700 0.000 0.000 2.223 209 N HA -0.086 4.654 4.740 -0.001 0.000 0.185 209 N C 1.413 176.925 175.510 0.002 0.000 1.016 209 N CA 0.722 53.774 53.050 0.003 0.000 0.863 209 N CB -0.121 38.367 38.487 0.003 0.000 0.983 209 N HN 0.226 nan 8.380 nan 0.000 0.429 210 L N 0.278 121.500 121.223 -0.001 0.000 2.872 210 L HA 0.206 4.545 4.340 -0.001 0.000 0.245 210 L C 1.649 178.517 176.870 -0.003 0.000 1.211 210 L CA -0.072 54.767 54.840 -0.002 0.000 1.013 210 L CB -0.080 41.976 42.059 -0.005 0.000 1.326 210 L HN 0.143 nan 8.230 nan 0.000 0.525 211 S N -1.097 114.602 115.700 -0.002 0.000 2.365 211 S HA -0.231 4.238 4.470 -0.001 0.000 0.225 211 S C 2.094 176.692 174.600 -0.004 0.000 1.039 211 S CA 1.777 59.975 58.200 -0.003 0.000 1.033 211 S CB -0.387 62.812 63.200 -0.002 0.000 0.887 211 S HN 0.393 nan 8.310 nan 0.000 0.447 212 S N 1.721 117.420 115.700 -0.001 0.000 2.356 212 S HA 0.074 4.543 4.470 -0.001 0.000 0.223 212 S C 1.853 176.451 174.600 -0.003 0.000 1.032 212 S CA 1.177 59.376 58.200 -0.001 0.000 1.005 212 S CB -0.496 62.705 63.200 0.001 0.000 0.867 212 S HN 0.314 nan 8.310 nan 0.000 0.449 213 L N 1.116 122.338 121.223 -0.002 0.000 2.156 213 L HA 0.070 4.409 4.340 -0.001 0.000 0.208 213 L C 2.102 178.965 176.870 -0.011 0.000 1.095 213 L CA 1.288 56.126 54.840 -0.004 0.000 0.770 213 L CB -1.319 40.741 42.059 0.001 0.000 0.914 213 L HN 0.341 nan 8.230 nan 0.000 0.439 214 L N -0.570 120.645 121.223 -0.013 0.000 2.083 214 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 214 L C 2.697 179.558 176.870 -0.016 0.000 1.083 214 L CA 1.110 55.939 54.840 -0.018 0.000 0.752 214 L CB -0.546 41.503 42.059 -0.017 0.000 0.899 214 L HN 0.209 nan 8.230 nan 0.000 0.433 215 A N 0.027 122.840 122.820 -0.011 0.000 1.969 215 A HA -0.074 4.246 4.320 -0.001 0.000 0.218 215 A C 2.288 179.866 177.584 -0.010 0.000 1.169 215 A CA 1.436 53.467 52.037 -0.009 0.000 0.635 215 A CB -1.013 17.983 19.000 -0.006 0.000 0.810 215 A HN 0.431 nan 8.150 nan 0.000 0.445 216 G N -0.926 107.869 108.800 -0.009 0.000 2.679 216 G HA2 0.127 4.086 3.960 -0.001 0.000 0.212 216 G HA3 0.127 4.086 3.960 -0.001 0.000 0.212 216 G C 0.445 175.337 174.900 -0.013 0.000 1.137 216 G CA 0.717 45.812 45.100 -0.009 0.000 0.787 216 G HN 0.564 nan 8.290 nan 0.000 0.534 217 E N -1.101 119.088 120.200 -0.019 0.000 3.170 217 E HA -0.274 4.075 4.350 -0.001 0.000 0.284 217 E C 1.446 178.026 176.600 -0.034 0.000 0.967 217 E CA 1.001 57.385 56.400 -0.026 0.000 0.919 217 E CB -1.334 28.352 29.700 -0.022 0.000 1.469 217 E HN 0.563 nan 8.360 nan 0.000 0.444 218 R N 0.234 120.715 120.500 -0.032 0.000 2.119 218 R HA 0.151 4.491 4.340 -0.001 0.000 0.222 218 R C 1.306 177.560 176.300 -0.076 0.000 1.088 218 R CA 1.234 57.311 56.100 -0.038 0.000 0.984 218 R CB 0.408 30.700 30.300 -0.013 0.000 0.884 218 R HN 0.120 nan 8.270 nan 0.000 0.447 219 V N 0.085 119.955 119.914 -0.073 0.000 2.914 219 V HA 0.553 4.673 4.120 -0.001 0.000 0.314 219 V C -1.131 174.909 176.094 -0.089 0.000 1.084 219 V CA -0.656 61.577 62.300 -0.110 0.000 0.963 219 V CB 2.264 34.042 31.823 -0.074 0.000 1.025 219 V HN 0.292 nan 8.190 nan 0.000 0.432 220 S N 5.568 121.204 115.700 -0.106 0.000 2.634 220 S HA 0.795 5.264 4.470 -0.001 0.000 0.296 220 S C -1.064 173.494 174.600 -0.071 0.000 1.104 220 S CA -0.936 57.219 58.200 -0.075 0.000 0.920 220 S CB 1.719 64.877 63.200 -0.070 0.000 1.111 220 S HN 0.750 nan 8.310 nan 0.000 0.493 221 L N 1.618 122.812 121.223 -0.049 0.000 2.325 221 L HA 0.842 5.181 4.340 -0.001 0.000 0.278 221 L C -0.481 176.368 176.870 -0.034 0.000 1.023 221 L CA -1.152 53.664 54.840 -0.040 0.000 0.811 221 L CB 1.654 43.696 42.059 -0.028 0.000 1.249 221 L HN 0.664 nan 8.230 nan 0.000 0.431 222 V N 0.569 120.466 119.914 -0.030 0.000 2.735 222 V HA 0.856 4.976 4.120 -0.001 0.000 0.310 222 V C -0.111 175.975 176.094 -0.013 0.000 1.061 222 V CA -0.152 62.136 62.300 -0.021 0.000 0.913 222 V CB 1.913 33.724 31.823 -0.019 0.000 1.005 222 V HN 0.782 nan 8.190 nan 0.000 0.428 223 G N 3.119 111.913 108.800 -0.010 0.000 2.332 223 G HA2 0.780 4.740 3.960 -0.001 0.000 0.310 223 G HA3 0.780 4.740 3.960 -0.001 0.000 0.310 223 G C -0.026 174.872 174.900 -0.003 0.000 1.123 223 G CA -0.035 45.060 45.100 -0.007 0.000 0.873 223 G HN 1.753 nan 8.290 nan 0.000 0.460 224 G N 0.724 109.523 108.800 -0.001 0.000 2.328 224 G HA2 0.403 4.362 3.960 -0.001 0.000 0.295 224 G HA3 0.403 4.362 3.960 -0.001 0.000 0.295 224 G C -2.102 172.801 174.900 0.005 0.000 1.413 224 G CA -0.742 44.360 45.100 0.003 0.000 0.817 224 G HN 0.684 nan 8.290 nan 0.000 0.546 225 D N 0.300 120.705 120.400 0.007 0.000 2.349 225 D HA 0.371 5.010 4.640 -0.001 0.000 0.232 225 D C 1.859 178.168 176.300 0.015 0.000 1.071 225 D CA -0.684 53.320 54.000 0.007 0.000 0.832 225 D CB 1.264 42.067 40.800 0.005 0.000 1.086 225 D HN 0.526 nan 8.370 nan 0.000 0.504 226 M N 2.102 121.713 119.600 0.018 0.000 2.446 226 M HA -0.076 4.403 4.480 -0.001 0.000 0.263 226 M C 0.377 176.693 176.300 0.027 0.000 1.066 226 M CA 0.956 56.274 55.300 0.029 0.000 1.087 226 M CB -0.107 32.512 32.600 0.032 0.000 1.406 226 M HN 0.221 nan 8.290 nan 0.000 0.459 227 L N 0.802 122.036 121.223 0.018 0.000 2.313 227 L HA 0.018 4.357 4.340 -0.001 0.000 0.214 227 L C 2.479 179.358 176.870 0.016 0.000 1.119 227 L CA 1.521 56.371 54.840 0.017 0.000 0.809 227 L CB -0.828 41.238 42.059 0.012 0.000 0.933 227 L HN 0.489 nan 8.230 nan 0.000 0.449 228 Q N -1.207 118.602 119.800 0.015 0.000 2.324 228 Q HA 0.138 4.478 4.340 -0.001 0.000 0.207 228 Q C 0.340 176.350 176.000 0.017 0.000 0.928 228 Q CA 0.355 56.166 55.803 0.014 0.000 0.890 228 Q CB 0.995 29.740 28.738 0.011 0.000 1.001 228 Q HN 0.354 nan 8.270 nan 0.000 0.517 229 E N 0.397 120.611 120.200 0.023 0.000 2.363 229 E HA 0.370 4.719 4.350 -0.001 0.000 0.281 229 E C -1.797 174.831 176.600 0.046 0.000 0.953 229 E CA -0.588 55.830 56.400 0.030 0.000 0.778 229 E CB 2.666 32.380 29.700 0.024 0.000 1.220 229 E HN 0.013 nan 8.360 nan 0.000 0.431 230 V N 0.375 120.330 119.914 0.068 0.000 2.914 230 V HA 0.724 4.844 4.120 -0.001 0.000 0.314 230 V C -2.672 173.500 176.094 0.131 0.000 1.084 230 V CA -2.328 60.040 62.300 0.113 0.000 0.963 230 V CB 1.246 33.184 31.823 0.190 0.000 1.025 230 V HN 0.546 nan 8.190 nan 0.000 0.432 231 P HA 0.186 nan 4.420 nan 0.000 0.264 231 P C 0.001 177.405 177.300 0.173 0.000 1.183 231 P CA 0.474 63.627 63.100 0.088 0.000 0.763 231 P CB 0.359 32.065 31.700 0.010 0.000 0.807 232 S N 1.877 117.649 115.700 0.119 0.000 2.672 232 S HA 0.333 4.802 4.470 -0.001 0.000 0.276 232 S C 0.666 175.356 174.600 0.149 0.000 1.207 232 S CA -0.316 57.972 58.200 0.147 0.000 1.002 232 S CB 0.433 63.679 63.200 0.078 0.000 0.998 232 S HN 0.504 nan 8.310 nan 0.000 0.542 233 N N -0.545 118.259 118.700 0.173 0.000 2.782 233 N HA -0.118 4.622 4.740 -0.001 0.000 0.251 233 N C 0.107 175.705 175.510 0.147 0.000 1.101 233 N CA 1.076 54.205 53.050 0.131 0.000 0.764 233 N CB -1.591 36.934 38.487 0.063 0.000 1.122 233 N HN 1.102 nan 8.380 nan 0.000 0.561 234 G N -0.367 108.587 108.800 0.256 0.000 2.442 234 G HA2 0.204 4.164 3.960 -0.001 0.000 0.249 234 G HA3 0.204 4.164 3.960 -0.001 0.000 0.249 234 G C 0.720 175.758 174.900 0.230 0.000 1.263 234 G CA 0.042 45.184 45.100 0.070 0.000 0.846 234 G HN 0.266 nan 8.290 nan 0.000 0.555 235 D N 0.878 121.339 120.400 0.102 0.000 2.162 235 D HA -0.030 4.610 4.640 -0.001 0.000 0.203 235 D C 0.833 177.207 176.300 0.123 0.000 0.967 235 D CA 1.197 55.259 54.000 0.103 0.000 0.840 235 D CB 0.485 41.307 40.800 0.037 0.000 0.972 235 D HN 0.295 nan 8.370 nan 0.000 0.482 236 I N 0.378 121.000 120.570 0.087 0.000 2.478 236 I HA 0.166 4.335 4.170 -0.001 0.000 0.287 236 I C -1.284 174.868 176.117 0.059 0.000 1.042 236 I CA -0.796 60.559 61.300 0.092 0.000 1.067 236 I CB 1.883 39.860 38.000 -0.038 0.000 1.233 236 I HN -0.252 nan 8.210 nan 0.000 0.431 237 Y N 6.551 126.888 120.300 0.061 0.000 2.369 237 Y HA 0.502 5.051 4.550 -0.001 0.000 0.337 237 Y C -0.285 175.627 175.900 0.020 0.000 0.961 237 Y CA -0.549 57.583 58.100 0.053 0.000 1.186 237 Y CB 1.206 39.675 38.460 0.014 0.000 1.139 237 Y HN 0.327 nan 8.280 nan 0.000 0.494 238 L N 5.254 126.538 121.223 0.102 0.000 2.264 238 L HA 0.372 4.711 4.340 -0.001 0.000 0.289 238 L C -0.862 176.026 176.870 0.030 0.000 1.044 238 L CA -0.654 54.209 54.840 0.038 0.000 0.807 238 L CB 0.755 42.803 42.059 -0.019 0.000 1.192 238 L HN 0.415 nan 8.230 nan 0.000 0.425 239 L N 3.385 124.616 121.223 0.013 0.000 2.387 239 L HA 0.300 4.640 4.340 -0.001 0.000 0.259 239 L C 0.139 177.015 176.870 0.009 0.000 1.050 239 L CA 0.371 55.218 54.840 0.011 0.000 0.922 239 L CB 1.143 43.199 42.059 -0.004 0.000 1.280 239 L HN 0.493 nan 8.230 nan 0.000 0.449 240 S N 3.110 118.815 115.700 0.008 0.000 2.422 240 S HA 0.492 4.961 4.470 -0.001 0.000 0.308 240 S C 0.658 175.299 174.600 0.068 0.000 1.097 240 S CA -0.466 57.759 58.200 0.041 0.000 1.099 240 S CB 0.160 63.362 63.200 0.004 0.000 0.976 240 S HN 0.605 nan 8.310 nan 0.000 0.471 241 R N 2.983 123.530 120.500 0.079 0.000 3.405 241 R HA -0.142 4.197 4.340 -0.001 0.000 0.258 241 R C 0.029 176.363 176.300 0.056 0.000 1.030 241 R CA 0.604 56.753 56.100 0.081 0.000 0.691 241 R CB -1.746 28.616 30.300 0.103 0.000 1.093 241 R HN 0.627 nan 8.270 nan 0.000 0.448 242 I N -0.996 119.598 120.570 0.040 0.000 3.812 242 I HA -0.029 4.140 4.170 -0.001 0.000 0.292 242 I C 2.281 178.411 176.117 0.022 0.000 1.206 242 I CA 0.153 61.468 61.300 0.024 0.000 1.370 242 I CB -0.414 37.597 38.000 0.018 0.000 1.328 242 I HN 0.078 nan 8.210 nan 0.000 0.453 243 I N 1.649 122.234 120.570 0.025 0.000 2.226 243 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 243 I C 2.630 178.766 176.117 0.031 0.000 1.100 243 I CA 1.588 62.902 61.300 0.023 0.000 1.374 243 I CB -1.735 36.276 38.000 0.018 0.000 1.057 243 I HN 0.180 nan 8.210 nan 0.000 0.413 244 G N 0.658 109.485 108.800 0.046 0.000 2.507 244 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.221 244 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.221 244 G C 1.175 176.092 174.900 0.029 0.000 1.119 244 G CA 0.961 46.092 45.100 0.052 0.000 0.751 244 G HN 0.353 nan 8.290 nan 0.000 0.574 245 D N -0.405 120.008 120.400 0.021 0.000 2.349 245 D HA 0.173 4.813 4.640 -0.001 0.000 0.214 245 D C 0.788 177.093 176.300 0.009 0.000 1.063 245 D CA 0.042 54.048 54.000 0.011 0.000 0.847 245 D CB 0.496 41.295 40.800 -0.003 0.000 0.933 245 D HN 0.232 nan 8.370 nan 0.000 0.513 246 L N 1.844 123.075 121.223 0.014 0.000 2.317 246 L HA 0.215 4.554 4.340 -0.001 0.000 0.281 246 L C 0.418 177.298 176.870 0.016 0.000 1.024 246 L CA -1.115 53.733 54.840 0.013 0.000 0.810 246 L CB 1.576 43.643 42.059 0.014 0.000 1.240 246 L HN -0.117 nan 8.230 nan 0.000 0.427 247 D N 1.202 121.610 120.400 0.015 0.000 2.393 247 D HA -0.016 4.624 4.640 -0.001 0.000 0.246 247 D C 0.806 177.117 176.300 0.018 0.000 1.275 247 D CA -0.367 53.642 54.000 0.016 0.000 0.979 247 D CB 0.731 41.540 40.800 0.014 0.000 1.101 247 D HN 0.347 nan 8.370 nan 0.000 0.505 248 E N -0.091 120.120 120.200 0.018 0.000 2.033 248 E HA -0.256 4.094 4.350 -0.001 0.000 0.199 248 E C 2.007 178.619 176.600 0.020 0.000 1.011 248 E CA 1.888 58.300 56.400 0.020 0.000 0.815 248 E CB -0.826 28.885 29.700 0.018 0.000 0.755 248 E HN 0.621 nan 8.360 nan 0.000 0.451 249 A N 1.375 124.205 122.820 0.016 0.000 1.859 249 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 249 A C 2.452 180.046 177.584 0.017 0.000 1.198 249 A CA 2.989 55.035 52.037 0.015 0.000 0.629 249 A CB -0.925 18.082 19.000 0.012 0.000 0.830 249 A HN 0.331 nan 8.150 nan 0.000 0.446 250 A N -0.855 121.974 122.820 0.015 0.000 1.902 250 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 250 A C 2.432 180.028 177.584 0.019 0.000 1.181 250 A CA 2.150 54.196 52.037 0.015 0.000 0.623 250 A CB -0.885 18.122 19.000 0.012 0.000 0.818 250 A HN 0.492 nan 8.150 nan 0.000 0.443 251 S N -0.222 115.490 115.700 0.021 0.000 2.402 251 S HA -0.035 4.434 4.470 -0.001 0.000 0.229 251 S C 1.745 176.365 174.600 0.035 0.000 1.021 251 S CA 1.274 59.489 58.200 0.025 0.000 0.974 251 S CB -0.346 62.869 63.200 0.025 0.000 0.800 251 S HN 0.508 nan 8.310 nan 0.000 0.484 252 L N 0.770 122.013 121.223 0.034 0.000 2.179 252 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 252 L C 2.653 179.547 176.870 0.039 0.000 1.096 252 L CA 0.786 55.651 54.840 0.043 0.000 0.779 252 L CB -0.331 41.748 42.059 0.034 0.000 0.922 252 L HN 0.221 nan 8.230 nan 0.000 0.443 253 R N -0.156 120.362 120.500 0.029 0.000 2.073 253 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 253 R C 2.209 178.528 176.300 0.031 0.000 1.134 253 R CA 1.327 57.441 56.100 0.025 0.000 0.952 253 R CB -0.563 29.748 30.300 0.018 0.000 0.850 253 R HN 0.187 nan 8.270 nan 0.000 0.433 254 L N 1.259 122.501 121.223 0.032 0.000 2.017 254 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 254 L C 2.060 178.955 176.870 0.043 0.000 1.073 254 L CA 1.626 56.485 54.840 0.033 0.000 0.745 254 L CB -0.405 41.670 42.059 0.026 0.000 0.894 254 L HN 0.110 nan 8.230 nan 0.000 0.432 255 L N -0.635 120.626 121.223 0.064 0.000 2.083 255 L HA -0.135 4.205 4.340 -0.001 0.000 0.209 255 L C 2.507 179.504 176.870 0.211 0.000 1.083 255 L CA 1.252 56.174 54.840 0.138 0.000 0.752 255 L CB -1.354 40.813 42.059 0.180 0.000 0.899 255 L HN 0.489 nan 8.230 nan 0.000 0.433 256 G N -0.365 108.500 108.800 0.109 0.000 2.402 256 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.216 256 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.216 256 G C 1.366 176.280 174.900 0.024 0.000 1.162 256 G CA 0.543 45.674 45.100 0.052 0.000 0.777 256 G HN 0.296 nan 8.290 nan 0.000 0.539 257 N N 0.461 119.174 118.700 0.022 0.000 2.036 257 N HA -0.138 4.601 4.740 -0.001 0.000 0.195 257 N C 2.207 177.691 175.510 -0.043 0.000 1.037 257 N CA 1.480 54.532 53.050 0.003 0.000 0.855 257 N CB -0.889 37.609 38.487 0.020 0.000 1.033 257 N HN 0.314 nan 8.380 nan 0.000 0.423 258 C N 0.587 119.851 119.300 -0.060 0.000 2.432 258 C HA -0.044 4.415 4.460 -0.001 0.000 0.277 258 C C 2.723 177.602 174.990 -0.185 0.000 1.249 258 C CA 0.265 59.127 59.018 -0.259 0.000 1.725 258 C CB -0.985 26.630 27.740 -0.208 0.000 2.028 258 C HN 0.482 nan 8.230 nan 0.000 0.477 259 R N 0.720 121.259 120.500 0.065 0.000 2.096 259 R HA -0.124 4.216 4.340 -0.001 0.000 0.235 259 R C 1.880 178.129 176.300 -0.085 0.000 1.127 259 R CA 1.386 57.495 56.100 0.016 0.000 0.968 259 R CB -0.099 30.105 30.300 -0.159 0.000 0.861 259 R HN 0.443 nan 8.270 nan 0.000 0.440 260 E N -0.453 119.703 120.200 -0.073 0.000 2.299 260 E HA 0.005 4.355 4.350 -0.001 0.000 0.193 260 E C 1.383 177.952 176.600 -0.053 0.000 0.998 260 E CA 0.924 57.288 56.400 -0.060 0.000 0.851 260 E CB 0.290 29.966 29.700 -0.041 0.000 0.795 260 E HN 0.417 nan 8.360 nan 0.000 0.492 261 A N 1.101 123.869 122.820 -0.087 0.000 1.997 261 A HA 0.129 4.448 4.320 -0.001 0.000 0.212 261 A C 1.459 179.041 177.584 -0.004 0.000 1.178 261 A CA 0.122 52.137 52.037 -0.037 0.000 0.698 261 A CB -0.417 18.576 19.000 -0.011 0.000 0.842 261 A HN 0.320 nan 8.150 nan 0.000 0.458 262 M N -0.538 118.983 119.600 -0.132 0.000 2.245 262 M HA 0.599 5.079 4.480 -0.001 0.000 0.330 262 M C 0.358 176.708 176.300 0.083 0.000 1.098 262 M CA -0.157 55.151 55.300 0.014 0.000 1.172 262 M CB 0.347 32.873 32.600 -0.124 0.000 1.467 262 M HN 0.183 nan 8.290 nan 0.000 0.454 263 A N 1.977 124.882 122.820 0.141 0.000 2.429 263 A HA 0.468 4.788 4.320 -0.001 0.000 0.242 263 A C 0.772 178.390 177.584 0.057 0.000 1.088 263 A CA 0.034 52.122 52.037 0.085 0.000 0.784 263 A CB -0.733 18.319 19.000 0.087 0.000 1.038 263 A HN 1.134 nan 8.150 nan 0.000 0.501 264 G N -0.536 108.285 108.800 0.036 0.000 2.225 264 G HA2 0.333 4.293 3.960 -0.001 0.000 0.245 264 G HA3 0.333 4.293 3.960 -0.001 0.000 0.245 264 G C 0.339 175.257 174.900 0.029 0.000 1.249 264 G CA 1.185 46.299 45.100 0.023 0.000 0.919 264 G HN 1.518 nan 8.290 nan 0.000 0.486 265 D N -0.005 120.411 120.400 0.027 0.000 3.090 265 D HA -0.131 4.509 4.640 -0.001 0.000 0.215 265 D C 1.099 177.428 176.300 0.049 0.000 1.140 265 D CA 1.674 55.692 54.000 0.031 0.000 0.937 265 D CB -1.218 39.593 40.800 0.019 0.000 1.108 265 D HN 0.875 nan 8.370 nan 0.000 0.420 266 G N -0.213 108.631 108.800 0.073 0.000 2.667 266 G HA2 0.497 4.456 3.960 -0.001 0.000 0.250 266 G HA3 0.497 4.456 3.960 -0.001 0.000 0.250 266 G C -0.042 174.931 174.900 0.122 0.000 1.212 266 G CA -0.375 44.794 45.100 0.115 0.000 0.874 266 G HN 0.180 nan 8.290 nan 0.000 0.561 267 R N -1.018 119.563 120.500 0.135 0.000 2.744 267 R HA 0.515 4.855 4.340 -0.001 0.000 0.279 267 R C -1.056 175.304 176.300 0.100 0.000 0.977 267 R CA -0.867 55.290 56.100 0.095 0.000 0.906 267 R CB 1.870 32.185 30.300 0.026 0.000 1.197 267 R HN 0.301 nan 8.270 nan 0.000 0.463 268 V N 2.262 122.156 119.914 -0.033 0.000 2.483 268 V HA 0.460 4.579 4.120 -0.001 0.000 0.295 268 V C -0.336 175.693 176.094 -0.109 0.000 1.035 268 V CA -0.685 61.530 62.300 -0.141 0.000 0.896 268 V CB 2.080 33.561 31.823 -0.569 0.000 0.986 268 V HN 0.392 nan 8.190 nan 0.000 0.447 269 V N 5.745 125.632 119.914 -0.046 0.000 2.409 269 V HA 0.384 4.503 4.120 -0.001 0.000 0.290 269 V C -0.331 175.746 176.094 -0.028 0.000 1.017 269 V CA -0.564 61.718 62.300 -0.030 0.000 0.841 269 V CB 1.924 33.749 31.823 0.003 0.000 1.003 269 V HN 0.585 nan 8.190 nan 0.000 0.426 270 V N 6.833 126.724 119.914 -0.038 0.000 2.383 270 V HA 0.496 4.615 4.120 -0.001 0.000 0.275 270 V C -0.119 175.976 176.094 0.002 0.000 1.036 270 V CA -0.270 62.016 62.300 -0.023 0.000 0.889 270 V CB 1.540 33.342 31.823 -0.035 0.000 0.985 270 V HN 0.689 nan 8.190 nan 0.000 0.459 271 I N 5.017 125.599 120.570 0.020 0.000 2.382 271 I HA 0.614 4.783 4.170 -0.001 0.000 0.285 271 I C -0.207 175.937 176.117 0.044 0.000 1.007 271 I CA 0.006 61.332 61.300 0.043 0.000 1.142 271 I CB 1.388 39.440 38.000 0.087 0.000 1.289 271 I HN 0.660 nan 8.210 nan 0.000 0.453 272 E N 4.492 124.702 120.200 0.016 0.000 2.388 272 E HA 0.385 4.735 4.350 -0.001 0.000 0.280 272 E C -1.176 175.392 176.600 -0.054 0.000 1.019 272 E CA -0.908 55.498 56.400 0.010 0.000 0.806 272 E CB 1.885 31.610 29.700 0.041 0.000 1.246 272 E HN 0.401 nan 8.360 nan 0.000 0.443 273 R N 1.362 121.783 120.500 -0.131 0.000 2.347 273 R HA 0.286 4.626 4.340 -0.001 0.000 0.304 273 R C -0.241 175.906 176.300 -0.254 0.000 1.072 273 R CA 0.155 56.068 56.100 -0.311 0.000 0.980 273 R CB 0.719 30.592 30.300 -0.712 0.000 0.986 273 R HN 0.546 nan 8.270 nan 0.000 0.448 274 T N -0.329 114.141 114.554 -0.140 0.000 2.924 274 T HA 0.501 4.850 4.350 -0.001 0.000 0.291 274 T C 0.075 174.756 174.700 -0.031 0.000 1.045 274 T CA -0.961 61.111 62.100 -0.047 0.000 1.015 274 T CB 1.439 70.306 68.868 -0.002 0.000 1.103 274 T HN 0.191 nan 8.240 nan 0.000 0.496 275 I N 2.405 122.989 120.570 0.024 0.000 2.315 275 I HA 0.282 4.452 4.170 -0.001 0.000 0.291 275 I C 0.936 177.073 176.117 0.033 0.000 1.006 275 I CA -0.519 60.805 61.300 0.040 0.000 1.265 275 I CB 1.033 39.078 38.000 0.075 0.000 1.387 275 I HN 0.893 nan 8.210 nan 0.000 0.475 276 S N 5.020 120.737 115.700 0.028 0.000 2.506 276 S HA 0.167 4.636 4.470 -0.001 0.000 0.291 276 S C 1.471 176.087 174.600 0.028 0.000 1.230 276 S CA 0.039 58.254 58.200 0.025 0.000 1.107 276 S CB 0.362 63.575 63.200 0.022 0.000 0.942 276 S HN 0.743 nan 8.310 nan 0.000 0.502 277 A N 4.927 127.763 122.820 0.026 0.000 1.978 277 A HA -0.079 4.240 4.320 -0.001 0.000 0.220 277 A C 2.273 179.869 177.584 0.021 0.000 1.170 277 A CA 2.052 54.104 52.037 0.025 0.000 0.636 277 A CB -1.028 17.986 19.000 0.023 0.000 0.810 277 A HN 1.007 nan 8.150 nan 0.000 0.448 278 S N -0.632 115.079 115.700 0.018 0.000 2.288 278 S HA 0.046 4.516 4.470 -0.001 0.000 0.198 278 S C 0.676 175.285 174.600 0.016 0.000 1.021 278 S CA 0.441 58.651 58.200 0.016 0.000 0.973 278 S CB -0.295 62.913 63.200 0.014 0.000 0.946 278 S HN 0.365 nan 8.310 nan 0.000 0.470 279 E N 3.360 123.570 120.200 0.016 0.000 2.561 279 E HA 0.409 4.758 4.350 -0.001 0.000 0.225 279 E C -2.516 174.096 176.600 0.020 0.000 1.035 279 E CA -2.124 54.285 56.400 0.016 0.000 0.904 279 E CB 0.954 30.662 29.700 0.014 0.000 1.291 279 E HN 0.488 nan 8.360 nan 0.000 0.444 280 P HA 0.005 nan 4.420 nan 0.000 0.271 280 P C 0.004 177.323 177.300 0.032 0.000 1.218 280 P CA -0.249 62.869 63.100 0.031 0.000 0.780 280 P CB 0.720 32.443 31.700 0.038 0.000 0.901 281 S N 2.023 117.746 115.700 0.038 0.000 2.533 281 S HA 0.128 4.597 4.470 -0.001 0.000 0.282 281 S C -1.682 172.943 174.600 0.042 0.000 1.304 281 S CA -0.736 57.488 58.200 0.040 0.000 1.063 281 S CB 0.041 63.271 63.200 0.050 0.000 0.881 281 S HN 0.257 nan 8.310 nan 0.000 0.493 282 P HA -0.161 nan 4.420 nan 0.000 0.216 282 P C 1.648 178.955 177.300 0.011 0.000 1.154 282 P CA 1.285 64.392 63.100 0.011 0.000 0.865 282 P CB -0.002 31.694 31.700 -0.007 0.000 0.789 283 M N -0.599 119.014 119.600 0.023 0.000 2.213 283 M HA -0.105 4.375 4.480 -0.001 0.000 0.263 283 M C 2.166 178.557 176.300 0.150 0.000 1.062 283 M CA 2.076 57.390 55.300 0.023 0.000 1.105 283 M CB -1.923 30.722 32.600 0.075 0.000 1.385 283 M HN 0.051 nan 8.290 nan 0.000 0.417 284 S N 0.438 116.249 115.700 0.185 0.000 2.383 284 S HA -0.076 4.393 4.470 -0.001 0.000 0.227 284 S C 1.870 176.603 174.600 0.222 0.000 1.026 284 S CA 1.432 59.769 58.200 0.228 0.000 0.981 284 S CB -1.193 62.072 63.200 0.109 0.000 0.818 284 S HN 0.386 nan 8.310 nan 0.000 0.472 285 V N -0.442 119.557 119.914 0.142 0.000 2.591 285 V HA 0.113 4.233 4.120 -0.001 0.000 0.249 285 V C 2.364 178.541 176.094 0.139 0.000 1.053 285 V CA 1.064 63.445 62.300 0.135 0.000 1.068 285 V CB -1.191 30.682 31.823 0.084 0.000 0.689 285 V HN 0.401 nan 8.190 nan 0.000 0.462 286 L N 0.227 121.487 121.223 0.061 0.000 2.017 286 L HA -0.009 4.330 4.340 -0.001 0.000 0.208 286 L C 2.256 179.172 176.870 0.076 0.000 1.073 286 L CA 1.991 56.822 54.840 -0.016 0.000 0.745 286 L CB -0.926 41.007 42.059 -0.211 0.000 0.894 286 L HN 0.428 nan 8.230 nan 0.000 0.432 287 W N 0.134 121.523 121.300 0.149 0.000 2.325 287 W HA -0.276 4.384 4.660 -0.001 0.000 0.299 287 W C 2.480 179.192 176.519 0.323 0.000 1.215 287 W CA 1.267 58.754 57.345 0.236 0.000 1.244 287 W CB -0.423 29.148 29.460 0.185 0.000 1.140 287 W HN 0.344 nan 8.180 nan 0.000 0.523 288 D N -0.307 120.411 120.400 0.530 0.000 2.117 288 D HA -0.181 4.459 4.640 -0.001 0.000 0.197 288 D C 1.917 178.374 176.300 0.262 0.000 0.987 288 D CA 1.661 55.911 54.000 0.416 0.000 0.829 288 D CB -0.177 40.820 40.800 0.328 0.000 0.961 288 D HN -0.065 nan 8.370 nan 0.000 0.460 289 V N -0.264 119.813 119.914 0.272 0.000 2.453 289 V HA -0.178 3.942 4.120 -0.001 0.000 0.247 289 V C 2.223 178.490 176.094 0.288 0.000 1.048 289 V CA 1.888 64.347 62.300 0.264 0.000 1.049 289 V CB -0.760 31.235 31.823 0.286 0.000 0.672 289 V HN 0.389 nan 8.190 nan 0.000 0.457 290 H N 0.081 119.332 119.070 0.301 0.000 2.353 290 H HA -0.170 4.385 4.556 -0.001 0.000 0.300 290 H C 1.910 177.196 175.328 -0.070 0.000 1.090 290 H CA 1.953 58.137 56.048 0.226 0.000 1.327 290 H CB -0.204 29.708 29.762 0.250 0.000 1.383 290 H HN 0.266 nan 8.280 nan 0.000 0.508 291 L N -0.267 120.908 121.223 -0.079 0.000 2.042 291 L HA -0.113 4.227 4.340 -0.001 0.000 0.210 291 L C 2.200 178.893 176.870 -0.295 0.000 1.076 291 L CA 1.783 56.469 54.840 -0.256 0.000 0.749 291 L CB -1.269 40.676 42.059 -0.190 0.000 0.893 291 L HN 0.400 nan 8.230 nan 0.000 0.432 292 F N -0.512 119.284 119.950 -0.255 0.000 2.102 292 F HA -0.282 4.244 4.527 -0.001 0.000 0.298 292 F C 2.401 177.984 175.800 -0.361 0.000 1.105 292 F CA 2.109 59.959 58.000 -0.249 0.000 1.239 292 F CB -0.377 38.515 39.000 -0.180 0.000 0.991 292 F HN 0.205 nan 8.300 nan 0.000 0.474 293 M N 0.667 119.837 119.600 -0.717 0.000 2.213 293 M HA -0.011 4.468 4.480 -0.001 0.000 0.263 293 M C 2.042 177.810 176.300 -0.887 0.000 1.062 293 M CA 1.859 56.572 55.300 -0.979 0.000 1.105 293 M CB -0.821 30.981 32.600 -1.330 0.000 1.385 293 M HN 0.249 nan 8.290 nan 0.000 0.417 294 A N -1.396 120.861 122.820 -0.939 0.000 1.878 294 A HA 0.002 4.321 4.320 -0.001 0.000 0.213 294 A C 1.744 178.885 177.584 -0.738 0.000 1.192 294 A CA 1.172 52.634 52.037 -0.959 0.000 0.619 294 A CB -0.521 17.624 19.000 -1.424 0.000 0.837 294 A HN 0.873 nan 8.150 nan 0.000 0.446 295 C N -5.282 113.649 119.300 -0.615 0.000 3.823 295 C HA 0.683 5.143 4.460 -0.001 0.000 0.312 295 C C 1.046 175.892 174.990 -0.239 0.000 2.628 295 C CA -0.275 58.520 59.018 -0.372 0.000 1.581 295 C CB -0.570 26.980 27.740 -0.317 0.000 3.295 295 C HN 2.121 nan 8.230 nan 0.000 0.382 296 A N 0.243 122.848 122.820 -0.359 0.000 2.826 296 A HA 0.147 4.466 4.320 -0.001 0.000 0.274 296 A C 1.003 178.579 177.584 -0.013 0.000 1.443 296 A CA 1.442 53.394 52.037 -0.142 0.000 0.833 296 A CB -1.944 17.024 19.000 -0.053 0.000 1.023 296 A HN 2.157 nan 8.150 nan 0.000 0.600 297 G N -0.915 107.843 108.800 -0.071 0.000 2.588 297 G HA2 0.651 4.611 3.960 -0.001 0.000 0.281 297 G HA3 0.651 4.611 3.960 -0.001 0.000 0.281 297 G C 0.058 174.925 174.900 -0.055 0.000 1.236 297 G CA 0.086 45.155 45.100 -0.053 0.000 0.969 297 G HN 1.429 nan 8.290 nan 0.000 0.504 298 R N -0.899 119.543 120.500 -0.096 0.000 2.710 298 R HA 0.297 4.636 4.340 -0.001 0.000 0.270 298 R C -1.573 174.626 176.300 -0.168 0.000 1.021 298 R CA -0.827 55.206 56.100 -0.113 0.000 0.889 298 R CB 0.765 31.061 30.300 -0.006 0.000 1.243 298 R HN 0.565 nan 8.270 nan 0.000 0.464 299 H N 1.226 120.336 119.070 0.067 0.000 2.481 299 H HA 0.433 4.989 4.556 -0.001 0.000 0.339 299 H C 0.139 175.494 175.328 0.045 0.000 1.131 299 H CA -0.477 55.605 56.048 0.057 0.000 1.301 299 H CB 1.438 31.242 29.762 0.070 0.000 1.476 299 H HN 0.240 nan 8.280 nan 0.000 0.529 300 R N 0.494 121.095 120.500 0.169 0.000 2.528 300 R HA 0.173 4.512 4.340 -0.001 0.000 0.271 300 R C 0.380 176.733 176.300 0.088 0.000 1.056 300 R CA -0.516 55.645 56.100 0.101 0.000 1.117 300 R CB 0.719 31.063 30.300 0.074 0.000 1.085 300 R HN 0.690 nan 8.270 nan 0.000 0.530 301 T N -1.606 112.986 114.554 0.063 0.000 2.860 301 T HA 0.024 4.373 4.350 -0.001 0.000 0.299 301 T C 1.291 176.014 174.700 0.038 0.000 1.045 301 T CA -0.611 61.518 62.100 0.048 0.000 1.071 301 T CB 1.161 70.052 68.868 0.038 0.000 0.985 301 T HN 0.480 nan 8.240 nan 0.000 0.537 302 T N 0.764 115.336 114.554 0.029 0.000 2.684 302 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 302 T C 1.737 176.451 174.700 0.024 0.000 1.036 302 T CA 1.856 63.969 62.100 0.022 0.000 1.148 302 T CB -0.499 68.379 68.868 0.017 0.000 0.863 302 T HN 0.888 nan 8.240 nan 0.000 0.436 303 E N 1.058 121.272 120.200 0.024 0.000 2.070 303 E HA -0.232 4.117 4.350 -0.001 0.000 0.197 303 E C 2.122 178.738 176.600 0.026 0.000 1.004 303 E CA 1.558 57.972 56.400 0.024 0.000 0.805 303 E CB -0.083 29.631 29.700 0.022 0.000 0.744 303 E HN 0.594 nan 8.360 nan 0.000 0.451 304 E N -0.356 119.861 120.200 0.028 0.000 2.118 304 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 304 E C 2.158 178.776 176.600 0.031 0.000 0.992 304 E CA 1.397 57.815 56.400 0.030 0.000 0.804 304 E CB 0.083 29.803 29.700 0.033 0.000 0.741 304 E HN 0.194 nan 8.360 nan 0.000 0.458 305 V N 0.529 120.461 119.914 0.030 0.000 2.379 305 V HA -0.185 3.935 4.120 -0.001 0.000 0.245 305 V C 2.272 178.381 176.094 0.025 0.000 1.044 305 V CA 1.027 63.343 62.300 0.026 0.000 1.036 305 V CB -0.152 31.684 31.823 0.022 0.000 0.664 305 V HN 0.125 nan 8.190 nan 0.000 0.453 306 V N 0.371 120.301 119.914 0.026 0.000 2.295 306 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 306 V C 2.283 178.400 176.094 0.039 0.000 1.049 306 V CA 2.288 64.607 62.300 0.031 0.000 1.024 306 V CB -0.670 31.169 31.823 0.027 0.000 0.648 306 V HN 0.547 nan 8.190 nan 0.000 0.447 307 D N -0.321 120.100 120.400 0.035 0.000 2.144 307 D HA -0.126 4.514 4.640 -0.001 0.000 0.200 307 D C 1.894 178.219 176.300 0.042 0.000 0.978 307 D CA 0.961 54.982 54.000 0.035 0.000 0.833 307 D CB -0.253 40.564 40.800 0.028 0.000 0.961 307 D HN 0.355 nan 8.370 nan 0.000 0.470 308 L N 0.465 121.713 121.223 0.042 0.000 2.056 308 L HA -0.056 4.284 4.340 -0.001 0.000 0.207 308 L C 2.062 178.974 176.870 0.070 0.000 1.078 308 L CA 1.281 56.148 54.840 0.047 0.000 0.749 308 L CB -0.539 41.542 42.059 0.037 0.000 0.901 308 L HN 0.003 nan 8.230 nan 0.000 0.433 309 L N -0.590 120.677 121.223 0.072 0.000 1.989 309 L HA -0.167 4.172 4.340 -0.001 0.000 0.211 309 L C 2.546 179.530 176.870 0.191 0.000 1.071 309 L CA 1.503 56.417 54.840 0.124 0.000 0.749 309 L CB -1.477 40.630 42.059 0.080 0.000 0.890 309 L HN 0.469 nan 8.230 nan 0.000 0.431 310 G N -0.548 108.323 108.800 0.119 0.000 2.440 310 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.218 310 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.218 310 G C 1.727 176.664 174.900 0.062 0.000 1.154 310 G CA 0.823 45.974 45.100 0.085 0.000 0.767 310 G HN 0.230 nan 8.290 nan 0.000 0.552 311 R N -0.023 120.513 120.500 0.061 0.000 2.120 311 R HA 0.003 4.342 4.340 -0.001 0.000 0.234 311 R C 2.476 178.806 176.300 0.050 0.000 1.123 311 R CA 1.092 57.217 56.100 0.043 0.000 0.975 311 R CB -0.327 29.997 30.300 0.040 0.000 0.866 311 R HN 0.321 nan 8.270 nan 0.000 0.446 312 G N -1.639 107.223 108.800 0.103 0.000 3.181 312 G HA2 0.213 4.173 3.960 -0.001 0.000 0.219 312 G HA3 0.213 4.173 3.960 -0.001 0.000 0.219 312 G C 0.545 175.471 174.900 0.044 0.000 1.182 312 G CA 0.221 45.402 45.100 0.135 0.000 0.791 312 G HN 0.459 nan 8.290 nan 0.000 0.537 313 G N -0.853 107.918 108.800 -0.047 0.000 2.182 313 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.248 313 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.248 313 G C -0.091 174.504 174.900 -0.509 0.000 1.042 313 G CA -0.142 44.809 45.100 -0.248 0.000 0.775 313 G HN 0.323 nan 8.290 nan 0.000 0.501 314 F N 0.079 120.020 119.950 -0.014 0.000 2.522 314 F HA 0.765 5.292 4.527 -0.001 0.000 0.324 314 F C 0.440 176.236 175.800 -0.006 0.000 1.077 314 F CA -0.465 57.528 58.000 -0.012 0.000 0.944 314 F CB 2.309 41.302 39.000 -0.011 0.000 1.175 314 F HN 0.335 nan 8.300 nan 0.000 0.468 315 A N 2.168 125.104 122.820 0.193 0.000 2.273 315 A HA 0.663 4.983 4.320 -0.001 0.000 0.315 315 A C -0.949 176.700 177.584 0.109 0.000 1.256 315 A CA -0.710 51.394 52.037 0.110 0.000 0.851 315 A CB 0.469 19.505 19.000 0.060 0.000 1.172 315 A HN 0.541 nan 8.150 nan 0.000 0.508 316 V N 3.022 122.983 119.914 0.078 0.000 2.540 316 V HA -0.010 4.110 4.120 -0.001 0.000 0.297 316 V C 1.436 177.554 176.094 0.040 0.000 1.024 316 V CA 1.023 63.354 62.300 0.052 0.000 1.105 316 V CB 0.783 32.627 31.823 0.036 0.000 0.938 316 V HN 1.137 nan 8.190 nan 0.000 0.482 317 E N 4.878 125.099 120.200 0.034 0.000 2.201 317 E HA 0.156 4.505 4.350 -0.001 0.000 0.193 317 E C 0.807 177.417 176.600 0.017 0.000 0.957 317 E CA 0.088 56.503 56.400 0.025 0.000 0.858 317 E CB 0.613 30.328 29.700 0.024 0.000 0.816 317 E HN 0.665 nan 8.360 nan 0.000 0.475 318 R N 0.102 120.610 120.500 0.014 0.000 2.604 318 R HA 0.488 4.827 4.340 -0.001 0.000 0.270 318 R C -1.504 174.801 176.300 0.010 0.000 1.052 318 R CA -0.514 55.592 56.100 0.010 0.000 0.902 318 R CB 1.881 32.185 30.300 0.007 0.000 1.233 318 R HN 0.017 nan 8.270 nan 0.000 0.455 319 I N 2.914 123.490 120.570 0.010 0.000 2.466 319 I HA 0.447 4.617 4.170 -0.001 0.000 0.289 319 I C -0.743 175.380 176.117 0.010 0.000 1.026 319 I CA -1.044 60.261 61.300 0.009 0.000 1.078 319 I CB 2.173 40.179 38.000 0.010 0.000 1.249 319 I HN 0.164 nan 8.210 nan 0.000 0.429 320 V N 4.239 124.159 119.914 0.011 0.000 2.540 320 V HA 0.321 4.441 4.120 -0.001 0.000 0.302 320 V C -0.760 175.341 176.094 0.012 0.000 1.035 320 V CA -0.790 61.517 62.300 0.013 0.000 0.873 320 V CB 2.170 34.004 31.823 0.017 0.000 0.992 320 V HN 0.567 nan 8.190 nan 0.000 0.428 321 D N 4.713 125.121 120.400 0.012 0.000 2.325 321 D HA 0.461 5.101 4.640 -0.001 0.000 0.251 321 D C -0.094 176.214 176.300 0.013 0.000 1.196 321 D CA 0.235 54.241 54.000 0.010 0.000 0.866 321 D CB 1.158 41.966 40.800 0.014 0.000 1.101 321 D HN 0.307 nan 8.370 nan 0.000 0.476 322 L N 3.259 124.486 121.223 0.006 0.000 2.400 322 L HA 0.460 4.800 4.340 -0.001 0.000 0.264 322 L C -1.958 174.913 176.870 0.002 0.000 1.061 322 L CA -2.089 52.755 54.840 0.008 0.000 0.799 322 L CB 0.450 42.512 42.059 0.006 0.000 1.240 322 L HN 0.089 nan 8.230 nan 0.000 0.461 323 P HA 0.048 nan 4.420 nan 0.000 0.269 323 P C -0.337 176.953 177.300 -0.016 0.000 1.217 323 P CA -0.005 63.105 63.100 0.017 0.000 0.783 323 P CB 0.229 31.950 31.700 0.035 0.000 0.898 324 M N -0.017 119.601 119.600 0.030 0.000 2.297 324 M HA -0.241 4.238 4.480 -0.001 0.000 0.200 324 M C -0.179 176.075 176.300 -0.076 0.000 0.414 324 M CA 0.747 56.059 55.300 0.021 0.000 0.449 324 M CB -1.929 30.625 32.600 -0.076 0.000 1.436 324 M HN 0.512 nan 8.290 nan 0.000 0.912 325 E N -2.174 118.029 120.200 0.005 0.000 2.586 325 E HA -0.147 4.202 4.350 -0.001 0.000 0.259 325 E C -0.144 176.382 176.600 -0.124 0.000 1.107 325 E CA 1.561 57.952 56.400 -0.016 0.000 0.754 325 E CB -1.674 28.090 29.700 0.106 0.000 1.335 325 E HN 0.766 nan 8.360 nan 0.000 0.411 326 T N -0.017 114.468 114.554 -0.116 0.000 2.925 326 T HA 0.638 4.987 4.350 -0.001 0.000 0.285 326 T C 0.348 175.012 174.700 -0.059 0.000 1.021 326 T CA -0.686 61.341 62.100 -0.121 0.000 1.042 326 T CB 2.211 70.998 68.868 -0.135 0.000 1.037 326 T HN 0.042 nan 8.240 nan 0.000 0.481 327 R N 1.169 121.642 120.500 -0.046 0.000 2.711 327 R HA 0.646 4.985 4.340 -0.001 0.000 0.284 327 R C -0.939 175.360 176.300 -0.002 0.000 0.968 327 R CA -0.689 55.400 56.100 -0.019 0.000 0.924 327 R CB 1.559 31.847 30.300 -0.019 0.000 1.162 327 R HN 0.619 nan 8.270 nan 0.000 0.465 328 M N 4.850 124.455 119.600 0.007 0.000 2.125 328 M HA 0.469 4.948 4.480 -0.001 0.000 0.321 328 M C -1.555 174.748 176.300 0.006 0.000 0.983 328 M CA -0.462 54.846 55.300 0.014 0.000 0.934 328 M CB 1.017 33.632 32.600 0.024 0.000 1.542 328 M HN 0.545 nan 8.290 nan 0.000 0.424 329 I N 5.766 126.335 120.570 -0.001 0.000 2.354 329 I HA 0.356 4.525 4.170 -0.001 0.000 0.286 329 I C -0.788 175.318 176.117 -0.018 0.000 1.007 329 I CA -0.853 60.443 61.300 -0.007 0.000 1.167 329 I CB 1.709 39.703 38.000 -0.009 0.000 1.320 329 I HN 0.370 nan 8.210 nan 0.000 0.458 330 V N 5.846 125.753 119.914 -0.011 0.000 2.407 330 V HA 0.748 4.868 4.120 -0.001 0.000 0.278 330 V C 0.340 176.431 176.094 -0.005 0.000 1.037 330 V CA -0.359 61.932 62.300 -0.015 0.000 0.900 330 V CB 1.255 33.072 31.823 -0.010 0.000 0.983 330 V HN 0.816 nan 8.190 nan 0.000 0.459 331 A N 4.009 126.820 122.820 -0.016 0.000 2.435 331 A HA 0.985 5.304 4.320 -0.001 0.000 0.304 331 A C -0.261 177.404 177.584 0.134 0.000 1.064 331 A CA -0.263 51.803 52.037 0.049 0.000 0.727 331 A CB 1.831 20.846 19.000 0.025 0.000 1.284 331 A HN 1.228 nan 8.150 nan 0.000 0.415 332 A N 0.948 123.889 122.820 0.202 0.000 2.313 332 A HA 0.778 5.097 4.320 -0.001 0.000 0.323 332 A C 0.350 178.095 177.584 0.269 0.000 1.133 332 A CA -0.821 51.352 52.037 0.226 0.000 0.847 332 A CB 0.565 19.628 19.000 0.104 0.000 1.308 332 A HN 0.927 nan 8.150 nan 0.000 0.475 333 R N 0.406 120.972 120.500 0.109 0.000 2.485 333 R HA 0.208 4.547 4.340 -0.001 0.000 0.304 333 R C 0.681 176.922 176.300 -0.099 0.000 0.934 333 R CA 0.528 56.542 56.100 -0.144 0.000 1.102 333 R CB -0.080 30.149 30.300 -0.119 0.000 0.906 333 R HN 0.862 nan 8.270 nan 0.000 0.407 334 A N 0.000 122.725 122.820 -0.159 0.000 2.254 334 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 334 A CA 0.000 51.985 52.037 -0.086 0.000 0.836 334 A CB 0.000 18.950 19.000 -0.084 0.000 0.831 334 A HN 0.000 nan 8.150 nan 0.000 0.486