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 1ffh_1_A DATA FIRST_RESID 2 DATA SEQUENCE FQQLSARLQE AIGRLRGRGR ITEEDLKATL REIRRALMDA DVNLEVTRDF DATA SEQUENCE VERVREEALG KQVLESLTPA EVILATVYEA LKEALGGEAR LPVLKDRNLW DATA SEQUENCE FLVGLQGSGK TTTAAKLALY YKGKGRRPLL VAADTQRPAA REQLRLLGEK DATA SEQUENCE VGVPVLEVMD GESPESIRRR VEEKARLEAR DLILVDTAGR LQIDEPLMGE DATA SEQUENCE LARLKEVLGP DEVLLVLDAM TGQEALSVAR AFDEKVGVTG LVLTKLDGDA DATA SEQUENCE RGGAALSARH VTGKPIYFAG XXXXXXXLEP FYPERLAGRI LGMG 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.805 175.800 0.009 0.000 0.967 2 F CA 0.000 58.010 58.000 0.016 0.000 1.383 2 F CB 0.000 39.008 39.000 0.013 0.000 1.145 3 Q N 0.737 120.639 119.800 0.170 0.000 2.096 3 Q HA -0.347 3.992 4.340 -0.000 0.000 0.218 3 Q C 1.482 177.529 176.000 0.079 0.000 1.069 3 Q CA 3.337 59.197 55.803 0.096 0.000 0.927 3 Q CB 0.057 28.839 28.738 0.073 0.000 1.064 3 Q HN 0.496 nan 8.270 nan 0.000 0.445 4 Q N -0.208 119.632 119.800 0.066 0.000 2.170 4 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 4 Q C 2.100 178.121 176.000 0.036 0.000 0.976 4 Q CA 1.248 57.075 55.803 0.038 0.000 0.858 4 Q CB -0.376 28.373 28.738 0.018 0.000 0.907 4 Q HN 0.494 nan 8.270 nan 0.000 0.433 5 L N 0.414 121.670 121.223 0.055 0.000 2.072 5 L HA -0.069 4.270 4.340 -0.000 0.000 0.205 5 L C 2.122 179.030 176.870 0.062 0.000 1.079 5 L CA 1.561 56.426 54.840 0.042 0.000 0.752 5 L CB -0.629 41.459 42.059 0.048 0.000 0.906 5 L HN -0.015 nan 8.230 nan 0.000 0.436 6 S N 0.276 116.034 115.700 0.095 0.000 2.359 6 S HA -0.245 4.225 4.470 -0.000 0.000 0.223 6 S C 2.118 176.750 174.600 0.053 0.000 1.039 6 S CA 1.407 59.654 58.200 0.078 0.000 1.042 6 S CB -0.883 62.359 63.200 0.071 0.000 0.915 6 S HN 0.683 nan 8.310 nan 0.000 0.439 7 A N 2.319 125.166 122.820 0.045 0.000 1.883 7 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 7 A C 2.191 179.792 177.584 0.028 0.000 1.186 7 A CA 1.323 53.380 52.037 0.033 0.000 0.624 7 A CB -0.475 18.541 19.000 0.028 0.000 0.822 7 A HN 0.266 nan 8.150 nan 0.000 0.444 8 R N -0.269 120.246 120.500 0.025 0.000 2.081 8 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 8 R C 2.123 178.438 176.300 0.024 0.000 1.131 8 R CA 1.254 57.364 56.100 0.018 0.000 0.960 8 R CB -1.193 29.110 30.300 0.006 0.000 0.856 8 R HN 0.604 nan 8.270 nan 0.000 0.436 9 L N 0.775 122.017 121.223 0.032 0.000 2.056 9 L HA -0.190 4.149 4.340 -0.000 0.000 0.207 9 L C 2.600 179.501 176.870 0.052 0.000 1.078 9 L CA 1.419 56.288 54.840 0.048 0.000 0.749 9 L CB -0.445 41.653 42.059 0.064 0.000 0.901 9 L HN 0.233 nan 8.230 nan 0.000 0.433 10 Q N -0.140 119.689 119.800 0.047 0.000 2.084 10 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 10 Q C 2.103 178.123 176.000 0.033 0.000 0.978 10 Q CA 1.562 57.390 55.803 0.041 0.000 0.844 10 Q CB -0.026 28.734 28.738 0.036 0.000 0.898 10 Q HN 0.509 nan 8.270 nan 0.000 0.426 11 E N 0.437 120.654 120.200 0.028 0.000 2.110 11 E HA -0.188 4.161 4.350 -0.000 0.000 0.193 11 E C 1.948 178.562 176.600 0.024 0.000 0.988 11 E CA 0.908 57.322 56.400 0.023 0.000 0.804 11 E CB -0.131 29.581 29.700 0.019 0.000 0.745 11 E HN 0.357 nan 8.360 nan 0.000 0.458 12 A N 1.238 124.076 122.820 0.029 0.000 1.858 12 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 12 A C 2.202 179.806 177.584 0.033 0.000 1.190 12 A CA 1.253 53.308 52.037 0.031 0.000 0.617 12 A CB -0.645 18.377 19.000 0.037 0.000 0.827 12 A HN 0.146 nan 8.150 nan 0.000 0.443 13 I N -0.293 120.301 120.570 0.040 0.000 2.286 13 I HA -0.186 3.984 4.170 -0.000 0.000 0.248 13 I C 2.644 178.778 176.117 0.027 0.000 1.115 13 I CA 1.034 62.357 61.300 0.038 0.000 1.392 13 I CB -0.546 37.482 38.000 0.046 0.000 1.065 13 I HN 0.413 nan 8.210 nan 0.000 0.418 14 G N 0.594 109.409 108.800 0.025 0.000 2.432 14 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 14 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 14 G C 1.773 176.682 174.900 0.016 0.000 1.135 14 G CA 0.295 45.407 45.100 0.019 0.000 0.767 14 G HN 0.306 nan 8.290 nan 0.000 0.550 15 R N -0.344 120.167 120.500 0.017 0.000 2.152 15 R HA 0.064 4.403 4.340 -0.000 0.000 0.232 15 R C 2.064 178.372 176.300 0.014 0.000 1.117 15 R CA 0.660 56.769 56.100 0.015 0.000 0.981 15 R CB -0.263 30.046 30.300 0.016 0.000 0.870 15 R HN 0.378 nan 8.270 nan 0.000 0.451 16 L N -0.085 121.147 121.223 0.016 0.000 2.592 16 L HA 0.125 4.464 4.340 -0.000 0.000 0.227 16 L C 0.771 177.648 176.870 0.011 0.000 1.127 16 L CA -0.236 54.612 54.840 0.014 0.000 0.884 16 L CB -0.007 42.062 42.059 0.017 0.000 1.065 16 L HN -0.094 nan 8.230 nan 0.000 0.457 17 R N 1.175 121.681 120.500 0.011 0.000 2.449 17 R HA 0.294 4.634 4.340 -0.000 0.000 0.296 17 R C 0.990 177.293 176.300 0.006 0.000 1.047 17 R CA 0.812 56.916 56.100 0.008 0.000 1.018 17 R CB 0.256 30.561 30.300 0.008 0.000 0.962 17 R HN 0.257 nan 8.270 nan 0.000 0.428 18 G N 3.986 112.788 108.800 0.005 0.000 2.221 18 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.265 18 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.265 18 G C 0.377 175.280 174.900 0.004 0.000 1.041 18 G CA 0.267 45.369 45.100 0.004 0.000 0.807 18 G HN 0.573 nan 8.290 nan 0.000 0.502 19 R N -0.302 120.201 120.500 0.005 0.000 2.437 19 R HA 0.408 4.748 4.340 -0.000 0.000 0.257 19 R C 1.696 177.998 176.300 0.004 0.000 0.927 19 R CA 0.929 57.032 56.100 0.005 0.000 1.078 19 R CB -0.047 30.257 30.300 0.006 0.000 1.161 19 R HN 1.607 nan 8.270 nan 0.000 0.529 20 G N 1.973 110.775 108.800 0.004 0.000 2.539 20 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.256 20 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.256 20 G C -0.524 174.378 174.900 0.004 0.000 1.233 20 G CA -0.316 44.786 45.100 0.003 0.000 0.936 20 G HN 0.289 nan 8.290 nan 0.000 0.571 21 R N 0.327 120.830 120.500 0.004 0.000 2.643 21 R HA 0.466 4.806 4.340 -0.000 0.000 0.270 21 R C 0.886 177.189 176.300 0.005 0.000 1.061 21 R CA 0.569 56.671 56.100 0.004 0.000 1.107 21 R CB 0.285 30.587 30.300 0.004 0.000 0.999 21 R HN 0.711 nan 8.270 nan 0.000 0.460 22 I N -1.980 118.594 120.570 0.006 0.000 2.707 22 I HA 0.444 4.614 4.170 -0.000 0.000 0.309 22 I C 0.617 176.739 176.117 0.007 0.000 1.001 22 I CA -0.954 60.351 61.300 0.008 0.000 1.129 22 I CB 1.931 39.937 38.000 0.010 0.000 1.308 22 I HN 0.559 nan 8.210 nan 0.000 0.466 23 T N -0.626 113.933 114.554 0.008 0.000 2.770 23 T HA 0.188 4.538 4.350 -0.000 0.000 0.281 23 T C 0.831 175.536 174.700 0.008 0.000 0.981 23 T CA -0.074 62.031 62.100 0.007 0.000 0.955 23 T CB 1.408 70.279 68.868 0.007 0.000 1.060 23 T HN 0.892 nan 8.240 nan 0.000 0.531 24 E N -0.223 119.981 120.200 0.008 0.000 2.106 24 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 24 E C 1.855 178.460 176.600 0.010 0.000 0.984 24 E CA 1.032 57.437 56.400 0.009 0.000 0.806 24 E CB -0.050 29.655 29.700 0.007 0.000 0.750 24 E HN 0.740 nan 8.360 nan 0.000 0.458 25 E N 0.811 121.017 120.200 0.009 0.000 2.274 25 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 25 E C 1.482 178.089 176.600 0.011 0.000 0.996 25 E CA 0.855 57.261 56.400 0.010 0.000 0.840 25 E CB -0.012 29.693 29.700 0.008 0.000 0.772 25 E HN 0.262 nan 8.360 nan 0.000 0.491 26 D N -0.311 120.096 120.400 0.011 0.000 2.097 26 D HA -0.154 4.486 4.640 -0.000 0.000 0.195 26 D C 1.898 178.207 176.300 0.016 0.000 0.989 26 D CA 0.753 54.760 54.000 0.013 0.000 0.827 26 D CB -0.114 40.693 40.800 0.011 0.000 0.966 26 D HN 0.198 nan 8.370 nan 0.000 0.456 27 L N 1.671 122.903 121.223 0.016 0.000 1.989 27 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 27 L C 2.072 178.955 176.870 0.022 0.000 1.071 27 L CA 1.870 56.721 54.840 0.019 0.000 0.749 27 L CB -0.452 41.617 42.059 0.017 0.000 0.890 27 L HN -0.152 nan 8.230 nan 0.000 0.431 28 K N -0.623 119.789 120.400 0.019 0.000 2.103 28 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 28 K C 2.067 178.679 176.600 0.021 0.000 1.048 28 K CA 1.421 57.719 56.287 0.020 0.000 0.930 28 K CB -0.430 32.079 32.500 0.016 0.000 0.716 28 K HN 0.532 nan 8.250 nan 0.000 0.444 29 A N 0.887 123.718 122.820 0.018 0.000 1.877 29 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 29 A C 2.242 179.839 177.584 0.022 0.000 1.186 29 A CA 2.165 54.212 52.037 0.017 0.000 0.620 29 A CB -1.047 17.962 19.000 0.015 0.000 0.822 29 A HN 0.279 nan 8.150 nan 0.000 0.443 30 T N 0.692 115.262 114.554 0.025 0.000 2.684 30 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 30 T C 1.821 176.546 174.700 0.042 0.000 1.036 30 T CA 1.559 63.678 62.100 0.033 0.000 1.148 30 T CB -0.478 68.411 68.868 0.035 0.000 0.863 30 T HN 0.352 nan 8.240 nan 0.000 0.436 31 L N 0.312 121.561 121.223 0.044 0.000 2.079 31 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 31 L C 2.925 179.823 176.870 0.047 0.000 1.081 31 L CA 1.389 56.262 54.840 0.055 0.000 0.752 31 L CB -0.467 41.621 42.059 0.049 0.000 0.896 31 L HN 0.186 nan 8.230 nan 0.000 0.433 32 R N -0.197 120.322 120.500 0.032 0.000 2.115 32 R HA -0.125 4.215 4.340 -0.000 0.000 0.226 32 R C 2.110 178.420 176.300 0.017 0.000 1.100 32 R CA 1.083 57.196 56.100 0.022 0.000 0.980 32 R CB -0.150 30.159 30.300 0.016 0.000 0.875 32 R HN 0.474 nan 8.270 nan 0.000 0.445 33 E N 0.563 120.775 120.200 0.020 0.000 2.106 33 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 33 E C 1.957 178.564 176.600 0.013 0.000 0.984 33 E CA 0.915 57.324 56.400 0.015 0.000 0.806 33 E CB -0.014 29.697 29.700 0.019 0.000 0.750 33 E HN 0.308 nan 8.360 nan 0.000 0.458 34 I N 0.820 121.407 120.570 0.028 0.000 2.252 34 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 34 I C 2.723 178.832 176.117 -0.014 0.000 1.102 34 I CA 0.942 62.258 61.300 0.028 0.000 1.385 34 I CB -0.213 37.847 38.000 0.099 0.000 1.064 34 I HN 0.026 nan 8.210 nan 0.000 0.414 35 R N 1.391 121.895 120.500 0.007 0.000 2.083 35 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 35 R C 2.460 178.737 176.300 -0.039 0.000 1.137 35 R CA 1.620 57.712 56.100 -0.014 0.000 0.951 35 R CB -0.172 30.133 30.300 0.009 0.000 0.851 35 R HN 0.254 nan 8.270 nan 0.000 0.434 36 R N -0.097 120.388 120.500 -0.025 0.000 2.096 36 R HA -0.080 4.259 4.340 -0.000 0.000 0.235 36 R C 2.350 178.625 176.300 -0.043 0.000 1.127 36 R CA 1.242 57.325 56.100 -0.029 0.000 0.968 36 R CB -0.326 29.965 30.300 -0.016 0.000 0.861 36 R HN 0.320 nan 8.270 nan 0.000 0.440 37 A N 1.321 124.113 122.820 -0.046 0.000 1.902 37 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 37 A C 2.182 179.709 177.584 -0.095 0.000 1.181 37 A CA 1.086 53.089 52.037 -0.056 0.000 0.623 37 A CB -0.438 18.534 19.000 -0.045 0.000 0.818 37 A HN 0.153 nan 8.150 nan 0.000 0.443 38 L N -1.141 120.000 121.223 -0.137 0.000 2.027 38 L HA -0.177 4.162 4.340 -0.000 0.000 0.206 38 L C 2.800 179.585 176.870 -0.142 0.000 1.074 38 L CA 0.971 55.696 54.840 -0.193 0.000 0.745 38 L CB -0.534 41.353 42.059 -0.286 0.000 0.898 38 L HN 0.297 nan 8.230 nan 0.000 0.433 39 M N -0.366 119.171 119.600 -0.104 0.000 2.108 39 M HA -0.216 4.264 4.480 -0.000 0.000 0.261 39 M C 1.788 178.042 176.300 -0.077 0.000 1.066 39 M CA 1.666 56.916 55.300 -0.083 0.000 1.107 39 M CB -1.185 31.380 32.600 -0.059 0.000 1.356 39 M HN 0.189 nan 8.290 nan 0.000 0.406 40 D N 0.411 120.769 120.400 -0.070 0.000 2.219 40 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 40 D C 1.666 177.921 176.300 -0.075 0.000 0.970 40 D CA 1.199 55.163 54.000 -0.060 0.000 0.851 40 D CB -0.099 40.673 40.800 -0.046 0.000 0.943 40 D HN 0.345 nan 8.370 nan 0.000 0.488 41 A N 0.219 122.979 122.820 -0.099 0.000 2.259 41 A HA 0.016 4.335 4.320 -0.000 0.000 0.208 41 A C 0.511 178.006 177.584 -0.148 0.000 1.201 41 A CA 0.547 52.507 52.037 -0.129 0.000 0.824 41 A CB -0.066 18.840 19.000 -0.156 0.000 0.838 41 A HN 0.056 nan 8.150 nan 0.000 0.485 42 D N -1.833 118.496 120.400 -0.119 0.000 2.981 42 D HA -0.129 4.510 4.640 -0.000 0.000 0.223 42 D C -0.397 175.827 176.300 -0.126 0.000 1.151 42 D CA 0.883 54.817 54.000 -0.110 0.000 0.827 42 D CB -1.929 38.809 40.800 -0.104 0.000 1.101 42 D HN 0.196 nan 8.370 nan 0.000 0.426 43 V N 1.504 121.333 119.914 -0.142 0.000 2.555 43 V HA 0.112 4.232 4.120 -0.000 0.000 0.286 43 V C 1.322 177.338 176.094 -0.129 0.000 1.044 43 V CA -0.539 61.670 62.300 -0.152 0.000 1.026 43 V CB 1.418 33.127 31.823 -0.189 0.000 0.981 43 V HN 0.363 nan 8.190 nan 0.000 0.480 44 N N 2.933 121.557 118.700 -0.128 0.000 2.294 44 N HA -0.086 4.653 4.740 -0.000 0.000 0.248 44 N C 1.019 176.456 175.510 -0.122 0.000 1.242 44 N CA -0.315 52.664 53.050 -0.119 0.000 0.848 44 N CB 0.681 39.088 38.487 -0.134 0.000 1.084 44 N HN 0.661 nan 8.380 nan 0.000 0.457 45 L N 4.835 126.005 121.223 -0.088 0.000 1.997 45 L HA -0.215 4.125 4.340 -0.000 0.000 0.216 45 L C 1.976 178.801 176.870 -0.074 0.000 1.074 45 L CA 1.983 56.782 54.840 -0.068 0.000 0.763 45 L CB -0.669 41.364 42.059 -0.044 0.000 0.890 45 L HN 0.716 nan 8.230 nan 0.000 0.434 46 E N -1.175 118.972 120.200 -0.088 0.000 2.106 46 E HA -0.170 4.179 4.350 -0.000 0.000 0.192 46 E C 2.146 178.631 176.600 -0.192 0.000 0.984 46 E CA 1.353 57.704 56.400 -0.082 0.000 0.806 46 E CB -0.233 29.455 29.700 -0.020 0.000 0.750 46 E HN 0.443 nan 8.360 nan 0.000 0.458 47 V N 1.203 120.888 119.914 -0.381 0.000 2.295 47 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 47 V C 2.299 178.331 176.094 -0.104 0.000 1.049 47 V CA 2.145 64.190 62.300 -0.425 0.000 1.024 47 V CB -0.744 30.851 31.823 -0.381 0.000 0.648 47 V HN 0.328 nan 8.190 nan 0.000 0.447 48 T N -0.365 114.130 114.554 -0.099 0.000 2.652 48 T HA -0.238 4.111 4.350 -0.000 0.000 0.267 48 T C 2.104 176.829 174.700 0.041 0.000 1.039 48 T CA 1.702 63.772 62.100 -0.050 0.000 1.153 48 T CB -0.308 68.511 68.868 -0.082 0.000 0.863 48 T HN 0.296 nan 8.240 nan 0.000 0.428 49 R N 0.888 121.398 120.500 0.016 0.000 2.094 49 R HA -0.165 4.175 4.340 -0.000 0.000 0.239 49 R C 1.951 178.300 176.300 0.081 0.000 1.137 49 R CA 2.067 58.192 56.100 0.043 0.000 0.943 49 R CB -0.571 29.744 30.300 0.025 0.000 0.850 49 R HN 0.346 nan 8.270 nan 0.000 0.433 50 D N -0.365 120.090 120.400 0.092 0.000 2.144 50 D HA -0.166 4.473 4.640 -0.000 0.000 0.199 50 D C 1.602 177.984 176.300 0.137 0.000 0.984 50 D CA 0.907 54.979 54.000 0.119 0.000 0.834 50 D CB -0.382 40.523 40.800 0.175 0.000 0.955 50 D HN 0.173 nan 8.370 nan 0.000 0.465 51 F N 1.269 121.224 119.950 0.010 0.000 2.075 51 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 51 F C 2.273 178.080 175.800 0.012 0.000 1.113 51 F CA 1.103 59.109 58.000 0.010 0.000 1.218 51 F CB -0.351 38.647 39.000 -0.004 0.000 0.984 51 F HN -0.209 nan 8.300 nan 0.000 0.472 52 V N 0.377 120.488 119.914 0.327 0.000 2.392 52 V HA -0.264 3.856 4.120 -0.000 0.000 0.249 52 V C 2.365 178.510 176.094 0.085 0.000 1.059 52 V CA 2.061 64.483 62.300 0.203 0.000 1.051 52 V CB -0.674 31.235 31.823 0.144 0.000 0.658 52 V HN 0.296 nan 8.190 nan 0.000 0.455 53 E N 0.166 120.404 120.200 0.063 0.000 2.106 53 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 53 E C 2.271 178.869 176.600 -0.003 0.000 0.984 53 E CA 1.161 57.579 56.400 0.029 0.000 0.806 53 E CB -0.387 29.332 29.700 0.033 0.000 0.750 53 E HN 0.528 nan 8.360 nan 0.000 0.458 54 R N 1.033 121.514 120.500 -0.032 0.000 2.081 54 R HA -0.096 4.244 4.340 -0.000 0.000 0.235 54 R C 2.156 178.394 176.300 -0.104 0.000 1.131 54 R CA 1.302 57.351 56.100 -0.085 0.000 0.960 54 R CB -0.643 29.562 30.300 -0.158 0.000 0.856 54 R HN 0.026 nan 8.270 nan 0.000 0.436 55 V N 1.030 120.871 119.914 -0.123 0.000 2.427 55 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 55 V C 2.587 178.665 176.094 -0.027 0.000 1.051 55 V CA 2.062 64.309 62.300 -0.087 0.000 1.048 55 V CB -0.692 31.099 31.823 -0.053 0.000 0.666 55 V HN 0.388 nan 8.190 nan 0.000 0.456 56 R N 0.293 120.789 120.500 -0.007 0.000 2.070 56 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 56 R C 2.458 178.756 176.300 -0.004 0.000 1.138 56 R CA 2.171 58.274 56.100 0.004 0.000 0.936 56 R CB -0.378 29.930 30.300 0.013 0.000 0.839 56 R HN 0.649 nan 8.270 nan 0.000 0.429 57 E N 0.128 120.323 120.200 -0.009 0.000 2.070 57 E HA -0.230 4.119 4.350 -0.000 0.000 0.197 57 E C 1.785 178.377 176.600 -0.013 0.000 1.004 57 E CA 1.504 57.898 56.400 -0.010 0.000 0.805 57 E CB 0.047 29.740 29.700 -0.012 0.000 0.744 57 E HN 0.366 nan 8.360 nan 0.000 0.451 58 E N 0.120 120.306 120.200 -0.023 0.000 2.051 58 E HA -0.197 4.152 4.350 -0.000 0.000 0.192 58 E C 2.065 178.657 176.600 -0.012 0.000 0.991 58 E CA 1.023 57.410 56.400 -0.022 0.000 0.799 58 E CB -0.295 29.383 29.700 -0.037 0.000 0.748 58 E HN 0.380 nan 8.360 nan 0.000 0.449 59 A N 1.504 124.318 122.820 -0.010 0.000 1.908 59 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 59 A C 2.376 179.960 177.584 0.001 0.000 1.181 59 A CA 1.180 53.216 52.037 -0.001 0.000 0.627 59 A CB -0.778 18.225 19.000 0.004 0.000 0.818 59 A HN 0.157 nan 8.150 nan 0.000 0.445 60 L N -0.786 120.437 121.223 0.000 0.000 2.083 60 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 60 L C 2.767 179.637 176.870 -0.000 0.000 1.083 60 L CA 1.027 55.868 54.840 0.001 0.000 0.752 60 L CB -0.784 41.276 42.059 0.002 0.000 0.899 60 L HN 0.508 nan 8.230 nan 0.000 0.433 61 G N -0.352 108.446 108.800 -0.002 0.000 2.443 61 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.219 61 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.219 61 G C 1.471 176.370 174.900 -0.002 0.000 1.131 61 G CA 0.293 45.391 45.100 -0.003 0.000 0.775 61 G HN 0.140 nan 8.290 nan 0.000 0.547 62 K N 0.491 120.891 120.400 -0.001 0.000 2.437 62 K HA 0.101 4.420 4.320 -0.000 0.000 0.198 62 K C 0.625 177.225 176.600 0.000 0.000 1.024 62 K CA -0.134 56.153 56.287 -0.000 0.000 1.148 62 K CB 0.308 32.809 32.500 0.001 0.000 0.860 62 K HN 0.203 nan 8.250 nan 0.000 0.515 63 Q N -0.207 119.594 119.800 0.001 0.000 2.468 63 Q HA -0.171 4.169 4.340 -0.000 0.000 0.289 63 Q C 1.044 177.045 176.000 0.002 0.000 1.299 63 Q CA 0.528 56.332 55.803 0.001 0.000 0.838 63 Q CB -2.702 26.036 28.738 0.001 0.000 1.195 63 Q HN 0.193 nan 8.270 nan 0.000 0.456 64 V N -0.201 119.715 119.914 0.004 0.000 2.453 64 V HA -0.233 3.886 4.120 -0.000 0.000 0.252 64 V C 1.886 177.984 176.094 0.006 0.000 1.068 64 V CA 2.294 64.597 62.300 0.005 0.000 1.070 64 V CB -0.117 31.710 31.823 0.008 0.000 0.664 64 V HN 0.579 nan 8.190 nan 0.000 0.461 65 L N -0.681 120.545 121.223 0.005 0.000 2.552 65 L HA 0.026 4.365 4.340 -0.000 0.000 0.227 65 L C 2.187 179.060 176.870 0.004 0.000 1.146 65 L CA 0.971 55.814 54.840 0.005 0.000 0.858 65 L CB -0.317 41.745 42.059 0.005 0.000 0.969 65 L HN 0.405 nan 8.230 nan 0.000 0.451 66 E N -1.067 119.135 120.200 0.003 0.000 2.460 66 E HA 0.042 4.391 4.350 -0.000 0.000 0.200 66 E C 0.805 177.406 176.600 0.002 0.000 1.011 66 E CA -0.192 56.209 56.400 0.002 0.000 0.912 66 E CB 0.642 30.343 29.700 0.002 0.000 0.953 66 E HN 0.126 nan 8.360 nan 0.000 0.494 67 S N 0.553 116.254 115.700 0.002 0.000 2.562 67 S HA 0.080 4.550 4.470 -0.000 0.000 0.281 67 S C 0.972 175.573 174.600 0.002 0.000 1.333 67 S CA -0.238 57.964 58.200 0.002 0.000 1.052 67 S CB 0.508 63.709 63.200 0.002 0.000 0.884 67 S HN 0.178 nan 8.310 nan 0.000 0.506 68 L N 3.359 124.583 121.223 0.001 0.000 2.509 68 L HA 0.151 4.490 4.340 -0.000 0.000 0.222 68 L C 1.181 178.052 176.870 0.001 0.000 1.123 68 L CA 0.444 55.285 54.840 0.001 0.000 0.856 68 L CB -0.067 41.992 42.059 -0.000 0.000 0.985 68 L HN 0.815 nan 8.230 nan 0.000 0.456 69 T N -4.417 110.138 114.554 0.001 0.000 3.630 69 T HA 0.250 4.600 4.350 -0.000 0.000 0.238 69 T C -1.798 172.903 174.700 0.003 0.000 1.195 69 T CA -1.269 60.832 62.100 0.001 0.000 1.433 69 T CB 0.415 69.282 68.868 -0.002 0.000 0.940 69 T HN -0.118 nan 8.240 nan 0.000 0.641 70 P HA -0.146 nan 4.420 nan 0.000 0.218 70 P C 1.702 179.008 177.300 0.011 0.000 1.146 70 P CA 1.209 64.314 63.100 0.008 0.000 0.813 70 P CB 0.006 31.712 31.700 0.009 0.000 0.778 71 A N 0.642 123.468 122.820 0.011 0.000 1.940 71 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 71 A C 2.207 179.799 177.584 0.014 0.000 1.176 71 A CA 1.543 53.588 52.037 0.015 0.000 0.631 71 A CB -0.843 18.164 19.000 0.013 0.000 0.814 71 A HN 0.103 nan 8.150 nan 0.000 0.446 72 E N -0.060 120.143 120.200 0.006 0.000 2.107 72 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 72 E C 2.188 178.790 176.600 0.004 0.000 0.982 72 E CA 1.217 57.617 56.400 0.000 0.000 0.809 72 E CB -0.879 28.817 29.700 -0.007 0.000 0.756 72 E HN 0.407 nan 8.360 nan 0.000 0.459 73 V N 1.931 121.849 119.914 0.006 0.000 2.343 73 V HA -0.217 3.902 4.120 -0.000 0.000 0.247 73 V C 2.351 178.456 176.094 0.018 0.000 1.051 73 V CA 1.202 63.507 62.300 0.009 0.000 1.036 73 V CB -0.392 31.436 31.823 0.007 0.000 0.654 73 V HN 0.192 nan 8.190 nan 0.000 0.451 74 I N -0.294 120.290 120.570 0.023 0.000 2.252 74 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 74 I C 2.420 178.568 176.117 0.051 0.000 1.102 74 I CA 1.501 62.822 61.300 0.035 0.000 1.385 74 I CB -1.123 36.900 38.000 0.039 0.000 1.064 74 I HN 0.341 nan 8.210 nan 0.000 0.414 75 L N 1.747 122.997 121.223 0.046 0.000 1.989 75 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 75 L C 2.611 179.529 176.870 0.081 0.000 1.071 75 L CA 2.435 57.310 54.840 0.059 0.000 0.749 75 L CB -0.957 41.120 42.059 0.029 0.000 0.890 75 L HN 0.183 nan 8.230 nan 0.000 0.431 76 A N -1.633 121.215 122.820 0.047 0.000 1.902 76 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 76 A C 2.246 179.898 177.584 0.113 0.000 1.181 76 A CA 2.356 54.429 52.037 0.060 0.000 0.623 76 A CB -1.267 17.742 19.000 0.015 0.000 0.818 76 A HN 0.567 nan 8.150 nan 0.000 0.443 77 T N -0.484 114.107 114.554 0.062 0.000 2.777 77 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 77 T C 1.853 176.554 174.700 0.002 0.000 1.040 77 T CA 1.539 63.653 62.100 0.023 0.000 1.141 77 T CB -0.396 68.472 68.868 -0.000 0.000 0.868 77 T HN 0.151 nan 8.240 nan 0.000 0.444 78 V N 0.602 120.550 119.914 0.058 0.000 2.427 78 V HA -0.139 3.980 4.120 -0.000 0.000 0.248 78 V C 2.021 178.197 176.094 0.137 0.000 1.051 78 V CA 1.431 63.790 62.300 0.098 0.000 1.048 78 V CB -0.725 31.212 31.823 0.190 0.000 0.666 78 V HN 0.528 nan 8.190 nan 0.000 0.456 79 Y N 1.711 122.036 120.300 0.041 0.000 2.128 79 Y HA -0.292 4.257 4.550 -0.001 0.000 0.284 79 Y C 2.579 178.490 175.900 0.019 0.000 1.154 79 Y CA 2.402 60.527 58.100 0.042 0.000 1.149 79 Y CB -0.223 38.249 38.460 0.021 0.000 0.976 79 Y HN 0.333 nan 8.280 nan 0.000 0.505 80 E N 0.703 120.930 120.200 0.045 0.000 2.058 80 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 80 E C 2.213 178.716 176.600 -0.162 0.000 0.997 80 E CA 1.746 58.104 56.400 -0.070 0.000 0.801 80 E CB -0.686 29.030 29.700 0.025 0.000 0.746 80 E HN 0.525 nan 8.360 nan 0.000 0.450 81 A N 0.273 122.962 122.820 -0.217 0.000 1.930 81 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 81 A C 2.343 179.840 177.584 -0.145 0.000 1.175 81 A CA 1.335 53.134 52.037 -0.397 0.000 0.627 81 A CB -0.649 17.732 19.000 -1.032 0.000 0.815 81 A HN 0.342 nan 8.150 nan 0.000 0.443 82 L N -0.648 120.603 121.223 0.047 0.000 2.027 82 L HA -0.188 4.151 4.340 -0.000 0.000 0.206 82 L C 2.624 179.514 176.870 0.034 0.000 1.074 82 L CA 1.913 56.886 54.840 0.221 0.000 0.745 82 L CB -0.428 41.734 42.059 0.173 0.000 0.898 82 L HN 0.481 nan 8.230 nan 0.000 0.433 83 K N 0.028 120.327 120.400 -0.168 0.000 2.020 83 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 83 K C 2.074 178.637 176.600 -0.062 0.000 1.050 83 K CA 1.630 57.797 56.287 -0.199 0.000 0.929 83 K CB 0.045 32.317 32.500 -0.381 0.000 0.714 83 K HN 0.162 nan 8.250 nan 0.000 0.443 84 E N 0.325 120.493 120.200 -0.053 0.000 2.051 84 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 84 E C 2.021 178.652 176.600 0.052 0.000 0.991 84 E CA 1.278 57.674 56.400 -0.006 0.000 0.799 84 E CB -0.448 29.235 29.700 -0.028 0.000 0.748 84 E HN 0.470 nan 8.360 nan 0.000 0.449 85 A N 1.212 124.090 122.820 0.097 0.000 1.908 85 A HA -0.150 4.169 4.320 -0.000 0.000 0.218 85 A C 2.330 180.001 177.584 0.145 0.000 1.181 85 A CA 1.215 53.347 52.037 0.158 0.000 0.627 85 A CB -0.749 18.412 19.000 0.268 0.000 0.818 85 A HN 0.217 nan 8.150 nan 0.000 0.445 86 L N -1.844 119.474 121.223 0.158 0.000 2.551 86 L HA 0.093 4.433 4.340 -0.000 0.000 0.228 86 L C 1.767 178.790 176.870 0.256 0.000 1.153 86 L CA 0.725 55.706 54.840 0.236 0.000 0.851 86 L CB -0.124 42.081 42.059 0.244 0.000 0.959 86 L HN 0.644 nan 8.230 nan 0.000 0.451 87 G N -2.406 106.479 108.800 0.141 0.000 2.425 87 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.177 87 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.177 87 G C 0.813 175.754 174.900 0.067 0.000 0.999 87 G CA -0.294 44.873 45.100 0.112 0.000 0.723 87 G HN 0.443 nan 8.290 nan 0.000 0.491 88 G N 0.172 108.999 108.800 0.044 0.000 5.452 88 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.310 88 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.310 88 G C 0.149 175.058 174.900 0.015 0.000 1.392 88 G CA 1.351 46.459 45.100 0.014 0.000 0.942 88 G HN 1.305 nan 8.290 nan 0.000 0.776 89 E N 0.845 121.065 120.200 0.034 0.000 2.256 89 E HA 0.633 4.983 4.350 -0.000 0.000 0.267 89 E C 0.323 176.963 176.600 0.066 0.000 0.892 89 E CA -0.364 56.062 56.400 0.044 0.000 0.775 89 E CB 1.712 31.437 29.700 0.042 0.000 1.207 89 E HN 0.981 nan 8.360 nan 0.000 0.420 90 A N 3.429 126.300 122.820 0.086 0.000 2.511 90 A HA 0.261 4.581 4.320 -0.000 0.000 0.242 90 A C -0.253 177.383 177.584 0.086 0.000 1.069 90 A CA 0.381 52.477 52.037 0.099 0.000 0.763 90 A CB 0.249 19.369 19.000 0.199 0.000 1.001 90 A HN 0.601 nan 8.150 nan 0.000 0.498 91 R N 0.990 121.540 120.500 0.084 0.000 2.744 91 R HA 0.759 5.098 4.340 -0.000 0.000 0.279 91 R C -1.365 174.994 176.300 0.099 0.000 0.977 91 R CA -0.601 55.570 56.100 0.119 0.000 0.906 91 R CB 1.929 32.332 30.300 0.171 0.000 1.197 91 R HN 0.671 nan 8.270 nan 0.000 0.463 92 L N 2.014 123.238 121.223 0.001 0.000 2.393 92 L HA 0.545 4.885 4.340 -0.000 0.000 0.260 92 L C -2.345 174.281 176.870 -0.407 0.000 1.002 92 L CA -2.323 52.369 54.840 -0.248 0.000 0.818 92 L CB 2.716 44.735 42.059 -0.066 0.000 1.369 92 L HN 0.335 nan 8.230 nan 0.000 0.412 93 P HA -0.009 nan 4.420 nan 0.000 0.268 93 P C -0.908 176.326 177.300 -0.110 0.000 1.208 93 P CA -0.169 62.558 63.100 -0.622 0.000 0.777 93 P CB 0.713 31.913 31.700 -0.833 0.000 0.875 94 V N 4.849 124.733 119.914 -0.050 0.000 2.385 94 V HA 0.242 4.362 4.120 -0.000 0.000 0.269 94 V C -0.413 175.772 176.094 0.152 0.000 1.043 94 V CA -0.374 61.963 62.300 0.061 0.000 0.906 94 V CB -0.406 31.440 31.823 0.039 0.000 0.995 94 V HN 0.284 nan 8.190 nan 0.000 0.467 95 L N 8.107 129.427 121.223 0.162 0.000 2.357 95 L HA 0.607 4.947 4.340 -0.000 0.000 0.273 95 L C 0.366 177.284 176.870 0.080 0.000 1.080 95 L CA -0.357 54.565 54.840 0.136 0.000 0.803 95 L CB 1.237 43.349 42.059 0.087 0.000 1.174 95 L HN 0.762 nan 8.230 nan 0.000 0.443 96 K N -0.198 120.233 120.400 0.051 0.000 2.054 96 K HA 0.329 4.649 4.320 -0.000 0.000 0.248 96 K C 0.166 176.767 176.600 0.002 0.000 1.019 96 K CA -0.776 55.530 56.287 0.031 0.000 0.855 96 K CB 0.445 32.969 32.500 0.041 0.000 1.473 96 K HN 0.304 nan 8.250 nan 0.000 0.483 97 D N 0.008 120.409 120.400 0.001 0.000 2.137 97 D HA -0.151 4.489 4.640 -0.000 0.000 0.189 97 D C -0.202 176.080 176.300 -0.030 0.000 0.998 97 D CA 1.698 55.691 54.000 -0.011 0.000 0.839 97 D CB 0.364 41.161 40.800 -0.005 0.000 0.962 97 D HN 0.274 nan 8.370 nan 0.000 0.446 98 R N 0.030 120.514 120.500 -0.027 0.000 2.740 98 R HA 0.576 4.916 4.340 -0.000 0.000 0.282 98 R C -1.123 175.148 176.300 -0.048 0.000 0.969 98 R CA -0.722 55.348 56.100 -0.049 0.000 0.918 98 R CB 1.267 31.548 30.300 -0.032 0.000 1.175 98 R HN 0.146 nan 8.270 nan 0.000 0.464 99 N N 0.732 119.361 118.700 -0.119 0.000 2.310 99 N HA 0.480 5.220 4.740 -0.000 0.000 0.292 99 N C -1.498 173.887 175.510 -0.209 0.000 1.049 99 N CA -0.583 52.383 53.050 -0.139 0.000 0.849 99 N CB 2.598 40.885 38.487 -0.334 0.000 1.532 99 N HN 0.325 nan 8.380 nan 0.000 0.479 100 L N 2.401 123.614 121.223 -0.015 0.000 2.372 100 L HA 0.650 4.990 4.340 -0.000 0.000 0.273 100 L C -1.628 175.434 176.870 0.319 0.000 0.989 100 L CA -0.509 54.363 54.840 0.053 0.000 0.841 100 L CB 0.618 42.730 42.059 0.089 0.000 1.225 100 L HN 0.523 nan 8.230 nan 0.000 0.414 101 W N 3.744 125.094 121.300 0.084 0.000 2.689 101 W HA 0.490 5.150 4.660 0.000 0.000 0.340 101 W C -0.670 176.041 176.519 0.320 0.000 1.060 101 W CA -1.233 56.183 57.345 0.118 0.000 1.218 101 W CB 1.315 30.814 29.460 0.064 0.000 1.410 101 W HN 0.144 nan 8.180 nan 0.000 0.528 102 F N 2.844 122.934 119.950 0.234 0.000 2.422 102 F HA 0.469 4.996 4.527 -0.000 0.000 0.333 102 F C -0.060 175.806 175.800 0.110 0.000 1.095 102 F CA -1.672 56.408 58.000 0.134 0.000 1.038 102 F CB 1.029 40.084 39.000 0.092 0.000 1.156 102 F HN -0.241 nan 8.300 nan 0.000 0.483 103 L N 4.798 126.142 121.223 0.200 0.000 2.298 103 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 103 L C -0.333 176.548 176.870 0.018 0.000 1.013 103 L CA -0.718 54.181 54.840 0.098 0.000 0.824 103 L CB 0.967 43.063 42.059 0.062 0.000 1.221 103 L HN 0.392 nan 8.230 nan 0.000 0.418 104 V N 0.421 120.309 119.914 -0.043 0.000 2.919 104 V HA 1.127 5.247 4.120 -0.000 0.000 0.316 104 V C 0.068 175.923 176.094 -0.398 0.000 1.077 104 V CA -0.397 61.802 62.300 -0.169 0.000 0.977 104 V CB 1.811 33.546 31.823 -0.148 0.000 1.039 104 V HN 0.905 nan 8.190 nan 0.000 0.441 105 G N 1.353 109.877 108.800 -0.460 0.000 2.336 105 G HA2 0.340 4.300 3.960 -0.000 0.000 0.300 105 G HA3 0.340 4.300 3.960 -0.000 0.000 0.300 105 G C -1.526 173.349 174.900 -0.041 0.000 1.375 105 G CA -0.912 43.939 45.100 -0.414 0.000 0.885 105 G HN 0.939 nan 8.290 nan 0.000 0.599 106 L N 0.352 121.601 121.223 0.042 0.000 2.439 106 L HA 0.450 4.790 4.340 -0.000 0.000 0.261 106 L C 1.121 178.018 176.870 0.045 0.000 1.153 106 L CA -0.628 54.275 54.840 0.105 0.000 0.808 106 L CB 1.215 43.342 42.059 0.114 0.000 1.126 106 L HN 0.737 nan 8.230 nan 0.000 0.460 107 Q N 0.719 120.547 119.800 0.047 0.000 2.271 107 Q HA 0.273 4.613 4.340 -0.000 0.000 0.273 107 Q C 0.686 176.698 176.000 0.020 0.000 1.051 107 Q CA 0.882 56.700 55.803 0.026 0.000 0.901 107 Q CB 0.507 29.260 28.738 0.025 0.000 1.174 107 Q HN 0.855 nan 8.270 nan 0.000 0.385 108 G N 2.227 111.034 108.800 0.011 0.000 2.231 108 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.206 108 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.206 108 G C 0.697 175.599 174.900 0.005 0.000 0.996 108 G CA 0.360 45.465 45.100 0.009 0.000 0.645 108 G HN 0.820 nan 8.290 nan 0.000 0.498 109 S N 0.193 115.893 115.700 -0.000 0.000 2.489 109 S HA 0.404 4.874 4.470 -0.000 0.000 0.228 109 S C 2.121 176.714 174.600 -0.011 0.000 0.995 109 S CA 1.494 59.687 58.200 -0.011 0.000 0.934 109 S CB 0.152 63.334 63.200 -0.030 0.000 0.771 109 S HN 2.374 nan 8.310 nan 0.000 0.522 110 G N 1.847 110.642 108.800 -0.007 0.000 2.142 110 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.225 110 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.225 110 G C 0.536 175.430 174.900 -0.011 0.000 1.015 110 G CA 0.468 45.565 45.100 -0.005 0.000 0.716 110 G HN 0.587 nan 8.290 nan 0.000 0.508 111 K N -0.348 120.042 120.400 -0.017 0.000 2.032 111 K HA -0.123 4.196 4.320 -0.000 0.000 0.209 111 K C 2.488 179.080 176.600 -0.013 0.000 1.048 111 K CA 2.186 58.459 56.287 -0.023 0.000 0.927 111 K CB -0.353 32.127 32.500 -0.034 0.000 0.712 111 K HN 0.343 nan 8.250 nan 0.000 0.441 112 T N 0.439 114.987 114.554 -0.011 0.000 2.737 112 T HA -0.138 4.212 4.350 -0.000 0.000 0.265 112 T C 1.927 176.624 174.700 -0.006 0.000 1.038 112 T CA 2.012 64.107 62.100 -0.008 0.000 1.144 112 T CB -0.592 68.272 68.868 -0.008 0.000 0.866 112 T HN 0.600 nan 8.240 nan 0.000 0.434 113 T N 0.526 115.077 114.554 -0.004 0.000 2.821 113 T HA -0.117 4.232 4.350 -0.000 0.000 0.267 113 T C 2.101 176.797 174.700 -0.007 0.000 1.046 113 T CA 1.601 63.700 62.100 -0.003 0.000 1.139 113 T CB -1.076 67.792 68.868 0.000 0.000 0.871 113 T HN 0.276 nan 8.240 nan 0.000 0.454 114 T N 2.057 116.605 114.554 -0.010 0.000 2.788 114 T HA 0.101 4.450 4.350 -0.000 0.000 0.268 114 T C 2.471 177.159 174.700 -0.021 0.000 1.044 114 T CA 1.178 63.266 62.100 -0.021 0.000 1.139 114 T CB -0.792 68.066 68.868 -0.017 0.000 0.867 114 T HN 0.607 nan 8.240 nan 0.000 0.454 115 A N 1.571 124.389 122.820 -0.004 0.000 1.883 115 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 115 A C 2.651 180.239 177.584 0.006 0.000 1.186 115 A CA 2.007 54.049 52.037 0.010 0.000 0.624 115 A CB -1.186 17.819 19.000 0.009 0.000 0.822 115 A HN 0.515 nan 8.150 nan 0.000 0.444 116 A N -0.554 122.266 122.820 0.001 0.000 1.902 116 A HA -0.144 4.175 4.320 -0.000 0.000 0.217 116 A C 2.125 179.713 177.584 0.007 0.000 1.181 116 A CA 1.798 53.837 52.037 0.004 0.000 0.623 116 A CB -0.425 18.576 19.000 0.002 0.000 0.818 116 A HN 0.541 nan 8.150 nan 0.000 0.443 117 K N -0.551 119.847 120.400 -0.004 0.000 2.057 117 K HA -0.029 4.290 4.320 -0.000 0.000 0.207 117 K C 1.885 178.478 176.600 -0.011 0.000 1.049 117 K CA 1.249 57.531 56.287 -0.008 0.000 0.931 117 K CB -0.334 32.150 32.500 -0.027 0.000 0.714 117 K HN 0.455 nan 8.250 nan 0.000 0.440 118 L N 0.323 121.521 121.223 -0.042 0.000 2.046 118 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 118 L C 2.512 179.468 176.870 0.143 0.000 1.077 118 L CA 1.060 55.884 54.840 -0.026 0.000 0.747 118 L CB -0.443 41.601 42.059 -0.026 0.000 0.896 118 L HN 0.222 nan 8.230 nan 0.000 0.432 119 A N -0.273 122.597 122.820 0.084 0.000 1.877 119 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 119 A C 2.156 179.785 177.584 0.075 0.000 1.186 119 A CA 1.704 53.785 52.037 0.073 0.000 0.620 119 A CB -0.715 18.299 19.000 0.022 0.000 0.822 119 A HN 0.332 nan 8.150 nan 0.000 0.443 120 L N -1.604 119.653 121.223 0.057 0.000 2.046 120 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 120 L C 2.307 179.203 176.870 0.043 0.000 1.077 120 L CA 2.352 57.217 54.840 0.041 0.000 0.747 120 L CB -0.921 41.160 42.059 0.037 0.000 0.896 120 L HN 0.543 nan 8.230 nan 0.000 0.432 121 Y N -1.013 119.246 120.300 -0.068 0.000 2.097 121 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 121 Y C 2.224 178.016 175.900 -0.181 0.000 1.152 121 Y CA 2.173 60.185 58.100 -0.146 0.000 1.136 121 Y CB -0.623 37.684 38.460 -0.255 0.000 0.975 121 Y HN 0.268 nan 8.280 nan 0.000 0.498 122 Y N 0.484 120.742 120.300 -0.070 0.000 2.373 122 Y HA -0.087 4.462 4.550 -0.001 0.000 0.293 122 Y C 2.565 178.378 175.900 -0.146 0.000 1.129 122 Y CA 1.526 59.534 58.100 -0.153 0.000 1.226 122 Y CB -0.401 38.028 38.460 -0.051 0.000 1.000 122 Y HN 0.109 nan 8.280 nan 0.000 0.549 123 K N 0.049 120.462 120.400 0.021 0.000 2.057 123 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 123 K C 2.342 178.912 176.600 -0.050 0.000 1.049 123 K CA 1.343 57.624 56.287 -0.010 0.000 0.931 123 K CB -0.598 31.898 32.500 -0.007 0.000 0.714 123 K HN 0.383 nan 8.250 nan 0.000 0.440 124 G N 0.986 109.727 108.800 -0.099 0.000 2.448 124 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 124 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 124 G C 1.026 175.844 174.900 -0.137 0.000 1.127 124 G CA 0.576 45.606 45.100 -0.116 0.000 0.766 124 G HN 0.321 nan 8.290 nan 0.000 0.552 125 K N -0.073 120.219 120.400 -0.179 0.000 2.417 125 K HA 0.301 4.621 4.320 -0.000 0.000 0.196 125 K C 1.479 178.056 176.600 -0.038 0.000 1.023 125 K CA 0.347 56.556 56.287 -0.130 0.000 1.122 125 K CB 0.369 32.761 32.500 -0.179 0.000 0.850 125 K HN 0.293 nan 8.250 nan 0.000 0.521 126 G N 1.573 110.355 108.800 -0.031 0.000 2.175 126 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 126 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 126 G C -0.013 174.883 174.900 -0.007 0.000 0.982 126 G CA -0.374 44.718 45.100 -0.014 0.000 0.641 126 G HN 0.079 nan 8.290 nan 0.000 0.527 127 R N -0.047 120.457 120.500 0.006 0.000 2.577 127 R HA 0.620 4.960 4.340 -0.000 0.000 0.269 127 R C 0.445 176.727 176.300 -0.029 0.000 1.084 127 R CA -0.542 55.550 56.100 -0.014 0.000 1.163 127 R CB 0.303 30.596 30.300 -0.011 0.000 1.100 127 R HN 0.342 nan 8.270 nan 0.000 0.547 128 R N 1.892 122.360 120.500 -0.053 0.000 2.505 128 R HA 0.277 4.617 4.340 -0.000 0.000 0.284 128 R C -2.118 174.138 176.300 -0.073 0.000 1.324 128 R CA -1.488 54.582 56.100 -0.050 0.000 1.432 128 R CB 1.252 31.525 30.300 -0.044 0.000 1.107 128 R HN 0.393 nan 8.270 nan 0.000 0.587 129 P HA 0.099 nan 4.420 nan 0.000 0.274 129 P C -1.005 176.256 177.300 -0.067 0.000 1.237 129 P CA -0.527 62.519 63.100 -0.090 0.000 0.793 129 P CB 1.263 32.923 31.700 -0.066 0.000 0.977 130 L N 2.470 123.648 121.223 -0.075 0.000 2.441 130 L HA 0.416 4.755 4.340 -0.000 0.000 0.270 130 L C -1.182 175.662 176.870 -0.044 0.000 0.973 130 L CA -0.652 54.158 54.840 -0.050 0.000 0.842 130 L CB 1.145 43.175 42.059 -0.047 0.000 1.239 130 L HN 0.192 nan 8.230 nan 0.000 0.406 131 L N 5.585 126.790 121.223 -0.030 0.000 2.305 131 L HA 0.584 4.924 4.340 -0.000 0.000 0.281 131 L C -0.621 176.236 176.870 -0.021 0.000 1.085 131 L CA -0.648 54.179 54.840 -0.022 0.000 0.813 131 L CB 1.597 43.646 42.059 -0.016 0.000 1.157 131 L HN 0.378 nan 8.230 nan 0.000 0.436 132 V N 3.174 123.074 119.914 -0.023 0.000 2.376 132 V HA 0.408 4.528 4.120 -0.000 0.000 0.287 132 V C 0.302 176.371 176.094 -0.041 0.000 1.015 132 V CA -0.679 61.604 62.300 -0.028 0.000 0.834 132 V CB 1.571 33.378 31.823 -0.026 0.000 1.001 132 V HN 0.828 nan 8.190 nan 0.000 0.428 133 A N 3.929 126.729 122.820 -0.035 0.000 2.666 133 A HA 0.638 4.958 4.320 -0.000 0.000 0.312 133 A C 1.195 178.751 177.584 -0.047 0.000 1.471 133 A CA 0.283 52.298 52.037 -0.037 0.000 1.134 133 A CB 0.307 19.292 19.000 -0.025 0.000 1.129 133 A HN 1.235 nan 8.150 nan 0.000 0.539 134 A N 2.108 124.885 122.820 -0.072 0.000 2.278 134 A HA 0.136 4.456 4.320 -0.000 0.000 0.212 134 A C 0.728 178.273 177.584 -0.065 0.000 1.213 134 A CA 0.077 52.063 52.037 -0.085 0.000 0.840 134 A CB -0.153 18.753 19.000 -0.156 0.000 0.866 134 A HN 0.670 nan 8.150 nan 0.000 0.489 135 D N 1.206 121.578 120.400 -0.046 0.000 2.342 135 D HA 0.074 4.714 4.640 -0.000 0.000 0.260 135 D C 1.353 177.640 176.300 -0.022 0.000 1.278 135 D CA 0.876 54.858 54.000 -0.030 0.000 0.910 135 D CB 0.888 41.676 40.800 -0.020 0.000 1.079 135 D HN 0.300 nan 8.370 nan 0.000 0.496 136 T N 0.858 115.400 114.554 -0.019 0.000 3.148 136 T HA -0.017 4.333 4.350 -0.000 0.000 0.253 136 T C 1.140 175.835 174.700 -0.008 0.000 1.134 136 T CA 0.587 62.679 62.100 -0.012 0.000 1.051 136 T CB 0.219 69.081 68.868 -0.010 0.000 0.959 136 T HN 0.249 nan 8.240 nan 0.000 0.525 137 Q N 0.390 120.186 119.800 -0.007 0.000 2.391 137 Q HA 0.348 4.687 4.340 -0.000 0.000 0.243 137 Q C 0.433 176.430 176.000 -0.004 0.000 0.874 137 Q CA 0.277 56.078 55.803 -0.004 0.000 0.950 137 Q CB 0.779 29.516 28.738 -0.002 0.000 1.103 137 Q HN 0.394 nan 8.270 nan 0.000 0.544 138 R N 0.692 121.189 120.500 -0.005 0.000 2.310 138 R HA 0.284 4.623 4.340 -0.000 0.000 0.316 138 R C -2.284 174.013 176.300 -0.005 0.000 1.004 138 R CA -1.668 54.429 56.100 -0.004 0.000 0.900 138 R CB 1.177 31.476 30.300 -0.002 0.000 1.152 138 R HN -0.057 nan 8.270 nan 0.000 0.513 139 P HA -0.201 nan 4.420 nan 0.000 0.216 139 P C 1.180 178.477 177.300 -0.005 0.000 1.150 139 P CA 1.295 64.392 63.100 -0.005 0.000 0.837 139 P CB 0.327 32.025 31.700 -0.004 0.000 0.786 140 A N 0.038 122.856 122.820 -0.004 0.000 1.940 140 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 140 A C 2.304 179.885 177.584 -0.004 0.000 1.176 140 A CA 2.152 54.187 52.037 -0.003 0.000 0.631 140 A CB -1.587 17.412 19.000 -0.001 0.000 0.814 140 A HN 0.209 nan 8.150 nan 0.000 0.446 141 A N -0.300 122.517 122.820 -0.005 0.000 1.930 141 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 141 A C 2.243 179.822 177.584 -0.009 0.000 1.175 141 A CA 1.375 53.408 52.037 -0.006 0.000 0.627 141 A CB -0.387 18.609 19.000 -0.007 0.000 0.815 141 A HN 0.575 nan 8.150 nan 0.000 0.443 142 R N -0.790 119.704 120.500 -0.010 0.000 2.073 142 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 142 R C 2.186 178.481 176.300 -0.010 0.000 1.120 142 R CA 1.311 57.404 56.100 -0.012 0.000 0.967 142 R CB -0.254 30.038 30.300 -0.013 0.000 0.862 142 R HN 0.579 nan 8.270 nan 0.000 0.436 143 E N 1.604 121.799 120.200 -0.007 0.000 2.110 143 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 143 E C 1.983 178.580 176.600 -0.005 0.000 0.988 143 E CA 1.513 57.910 56.400 -0.006 0.000 0.804 143 E CB -0.083 29.615 29.700 -0.004 0.000 0.745 143 E HN 0.289 nan 8.360 nan 0.000 0.458 144 Q N -0.480 119.317 119.800 -0.005 0.000 2.061 144 Q HA -0.191 4.148 4.340 -0.000 0.000 0.204 144 Q C 2.145 178.142 176.000 -0.005 0.000 0.984 144 Q CA 1.739 57.540 55.803 -0.004 0.000 0.846 144 Q CB -0.250 28.486 28.738 -0.003 0.000 0.902 144 Q HN 0.412 nan 8.270 nan 0.000 0.421 145 L N 0.956 122.174 121.223 -0.007 0.000 2.093 145 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 145 L C 2.493 179.359 176.870 -0.007 0.000 1.085 145 L CA 1.629 56.464 54.840 -0.008 0.000 0.755 145 L CB -0.564 41.488 42.059 -0.012 0.000 0.904 145 L HN 0.165 nan 8.230 nan 0.000 0.435 146 R N -0.655 119.840 120.500 -0.007 0.000 2.083 146 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 146 R C 2.280 178.577 176.300 -0.005 0.000 1.137 146 R CA 1.969 58.065 56.100 -0.007 0.000 0.951 146 R CB -0.414 29.882 30.300 -0.007 0.000 0.851 146 R HN 0.413 nan 8.270 nan 0.000 0.434 147 L N 0.694 121.915 121.223 -0.004 0.000 2.046 147 L HA -0.214 4.125 4.340 -0.000 0.000 0.208 147 L C 2.517 179.386 176.870 -0.002 0.000 1.077 147 L CA 1.189 56.028 54.840 -0.002 0.000 0.747 147 L CB -0.382 41.676 42.059 -0.002 0.000 0.896 147 L HN 0.278 nan 8.230 nan 0.000 0.432 148 L N -0.638 120.584 121.223 -0.002 0.000 2.017 148 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 148 L C 2.670 179.540 176.870 -0.001 0.000 1.073 148 L CA 1.488 56.328 54.840 -0.001 0.000 0.745 148 L CB -1.175 40.883 42.059 -0.001 0.000 0.894 148 L HN 0.322 nan 8.230 nan 0.000 0.432 149 G N -0.798 108.000 108.800 -0.003 0.000 2.422 149 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 149 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 149 G C 1.468 176.366 174.900 -0.003 0.000 1.146 149 G CA 0.752 45.850 45.100 -0.004 0.000 0.769 149 G HN 0.436 nan 8.290 nan 0.000 0.547 150 E N 0.323 120.522 120.200 -0.003 0.000 2.077 150 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 150 E C 2.377 178.977 176.600 -0.001 0.000 0.989 150 E CA 1.053 57.452 56.400 -0.003 0.000 0.800 150 E CB -0.067 29.631 29.700 -0.002 0.000 0.746 150 E HN 0.391 nan 8.360 nan 0.000 0.452 151 K N -0.016 120.384 120.400 0.000 0.000 2.103 151 K HA -0.080 4.239 4.320 -0.000 0.000 0.204 151 K C 2.040 178.642 176.600 0.003 0.000 1.052 151 K CA 1.318 57.606 56.287 0.002 0.000 0.945 151 K CB 0.146 32.648 32.500 0.003 0.000 0.722 151 K HN 0.187 nan 8.250 nan 0.000 0.443 152 V N -2.168 117.748 119.914 0.003 0.000 3.649 152 V HA 0.300 4.420 4.120 -0.000 0.000 0.275 152 V C 0.758 176.853 176.094 0.001 0.000 1.281 152 V CA 0.362 62.664 62.300 0.004 0.000 1.143 152 V CB -0.581 31.246 31.823 0.007 0.000 0.892 152 V HN 0.389 nan 8.190 nan 0.000 0.441 153 G N 0.186 108.986 108.800 -0.001 0.000 2.272 153 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.280 153 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.280 153 G C -0.171 174.726 174.900 -0.005 0.000 1.067 153 G CA 0.332 45.429 45.100 -0.003 0.000 0.902 153 G HN 1.006 nan 8.290 nan 0.000 0.500 154 V N 1.481 121.392 119.914 -0.006 0.000 2.588 154 V HA 0.595 4.715 4.120 -0.000 0.000 0.304 154 V C -1.641 174.447 176.094 -0.011 0.000 1.042 154 V CA -1.634 60.660 62.300 -0.009 0.000 0.877 154 V CB 2.450 34.268 31.823 -0.008 0.000 0.996 154 V HN 0.244 nan 8.190 nan 0.000 0.425 155 P HA 0.218 nan 4.420 nan 0.000 0.271 155 P C -1.011 176.280 177.300 -0.015 0.000 1.218 155 P CA 0.041 63.132 63.100 -0.014 0.000 0.780 155 P CB 1.320 33.010 31.700 -0.016 0.000 0.901 156 V N 4.348 124.254 119.914 -0.013 0.000 2.531 156 V HA 0.317 4.437 4.120 -0.000 0.000 0.301 156 V C 0.216 176.302 176.094 -0.013 0.000 1.034 156 V CA -0.761 61.531 62.300 -0.014 0.000 0.865 156 V CB 1.754 33.570 31.823 -0.012 0.000 0.995 156 V HN 0.474 nan 8.190 nan 0.000 0.424 157 L N 4.702 125.916 121.223 -0.015 0.000 2.272 157 L HA 0.609 4.949 4.340 -0.000 0.000 0.289 157 L C -0.073 176.788 176.870 -0.015 0.000 1.032 157 L CA -0.110 54.721 54.840 -0.013 0.000 0.810 157 L CB 1.099 43.151 42.059 -0.012 0.000 1.205 157 L HN 0.689 nan 8.230 nan 0.000 0.422 158 E N 4.719 124.911 120.200 -0.013 0.000 2.156 158 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 158 E C -0.325 176.267 176.600 -0.013 0.000 0.965 158 E CA -0.796 55.595 56.400 -0.014 0.000 0.789 158 E CB 2.097 31.790 29.700 -0.012 0.000 1.098 158 E HN 0.554 nan 8.360 nan 0.000 0.397 159 V N 0.711 120.615 119.914 -0.017 0.000 3.319 159 V HA 0.307 4.427 4.120 -0.000 0.000 0.303 159 V C 0.195 176.282 176.094 -0.011 0.000 1.094 159 V CA -0.605 61.687 62.300 -0.014 0.000 1.106 159 V CB 0.463 32.275 31.823 -0.019 0.000 1.099 159 V HN 0.620 nan 8.190 nan 0.000 0.476 160 M N 0.817 120.413 119.600 -0.008 0.000 2.573 160 M HA 0.433 4.913 4.480 -0.000 0.000 0.309 160 M C -0.426 175.871 176.300 -0.006 0.000 1.202 160 M CA -0.775 54.521 55.300 -0.006 0.000 0.975 160 M CB 0.834 33.432 32.600 -0.004 0.000 1.600 160 M HN 0.641 nan 8.290 nan 0.000 0.479 161 D N 1.418 121.816 120.400 -0.004 0.000 2.487 161 D HA 0.162 4.801 4.640 -0.000 0.000 0.243 161 D C 1.147 177.446 176.300 -0.002 0.000 1.154 161 D CA 1.265 55.263 54.000 -0.004 0.000 0.876 161 D CB 0.463 41.262 40.800 -0.003 0.000 1.161 161 D HN 0.900 nan 8.370 nan 0.000 0.478 162 G N 2.524 111.323 108.800 -0.002 0.000 2.166 162 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.260 162 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.260 162 G C 0.411 175.311 174.900 0.001 0.000 0.986 162 G CA 0.586 45.686 45.100 -0.000 0.000 0.683 162 G HN 0.642 nan 8.290 nan 0.000 0.527 163 E N 1.192 121.392 120.200 -0.000 0.000 2.414 163 E HA 0.401 4.751 4.350 -0.000 0.000 0.263 163 E C 1.255 177.858 176.600 0.005 0.000 1.000 163 E CA 0.282 56.683 56.400 0.001 0.000 0.914 163 E CB 0.278 29.978 29.700 -0.001 0.000 0.948 163 E HN 0.581 nan 8.360 nan 0.000 0.444 164 S N 3.614 119.318 115.700 0.008 0.000 2.593 164 S HA 0.149 4.619 4.470 -0.000 0.000 0.269 164 S C -1.900 172.711 174.600 0.018 0.000 1.334 164 S CA -1.170 57.038 58.200 0.013 0.000 1.015 164 S CB 1.295 64.502 63.200 0.013 0.000 0.912 164 S HN 0.414 nan 8.310 nan 0.000 0.541 165 P HA -0.058 nan 4.420 nan 0.000 0.216 165 P C 1.005 178.329 177.300 0.039 0.000 1.150 165 P CA 1.142 64.266 63.100 0.040 0.000 0.837 165 P CB 0.031 31.762 31.700 0.053 0.000 0.786 166 E N -0.913 119.306 120.200 0.031 0.000 2.072 166 E HA -0.135 4.214 4.350 -0.000 0.000 0.191 166 E C 2.215 178.828 176.600 0.022 0.000 0.985 166 E CA 1.398 57.814 56.400 0.027 0.000 0.801 166 E CB -1.038 28.674 29.700 0.021 0.000 0.750 166 E HN 0.095 nan 8.360 nan 0.000 0.452 167 S N -0.287 115.424 115.700 0.018 0.000 2.368 167 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 167 S C 1.910 176.519 174.600 0.014 0.000 1.029 167 S CA 0.790 58.998 58.200 0.013 0.000 0.988 167 S CB -0.240 62.966 63.200 0.010 0.000 0.838 167 S HN 0.181 nan 8.310 nan 0.000 0.462 168 I N 1.235 121.815 120.570 0.016 0.000 2.163 168 I HA -0.192 3.977 4.170 -0.000 0.000 0.243 168 I C 2.813 178.945 176.117 0.025 0.000 1.085 168 I CA 1.597 62.906 61.300 0.016 0.000 1.347 168 I CB -0.407 37.602 38.000 0.015 0.000 1.044 168 I HN 0.322 nan 8.210 nan 0.000 0.408 169 R N 1.151 121.672 120.500 0.035 0.000 2.091 169 R HA -0.225 4.115 4.340 -0.000 0.000 0.238 169 R C 2.530 178.846 176.300 0.027 0.000 1.136 169 R CA 1.703 57.827 56.100 0.041 0.000 0.959 169 R CB -0.260 30.068 30.300 0.046 0.000 0.856 169 R HN 0.235 nan 8.270 nan 0.000 0.437 170 R N 0.269 120.781 120.500 0.020 0.000 2.073 170 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 170 R C 2.272 178.578 176.300 0.010 0.000 1.134 170 R CA 1.662 57.770 56.100 0.014 0.000 0.952 170 R CB -0.087 30.220 30.300 0.012 0.000 0.850 170 R HN 0.252 nan 8.270 nan 0.000 0.433 171 R N -0.163 120.343 120.500 0.009 0.000 2.092 171 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 171 R C 2.327 178.630 176.300 0.004 0.000 1.119 171 R CA 1.302 57.405 56.100 0.005 0.000 0.970 171 R CB -0.321 29.981 30.300 0.003 0.000 0.864 171 R HN 0.133 nan 8.270 nan 0.000 0.440 172 V N 1.424 121.343 119.914 0.008 0.000 2.295 172 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 172 V C 2.378 178.475 176.094 0.005 0.000 1.049 172 V CA 1.943 64.248 62.300 0.008 0.000 1.024 172 V CB -0.466 31.368 31.823 0.020 0.000 0.648 172 V HN 0.388 nan 8.190 nan 0.000 0.447 173 E N -0.101 120.105 120.200 0.009 0.000 2.085 173 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 173 E C 2.276 178.876 176.600 0.000 0.000 0.994 173 E CA 1.775 58.178 56.400 0.005 0.000 0.801 173 E CB -0.125 29.580 29.700 0.010 0.000 0.743 173 E HN 0.717 nan 8.360 nan 0.000 0.453 174 E N 0.644 120.844 120.200 0.001 0.000 2.031 174 E HA -0.266 4.084 4.350 -0.000 0.000 0.193 174 E C 2.144 178.742 176.600 -0.005 0.000 0.994 174 E CA 1.379 57.778 56.400 -0.001 0.000 0.800 174 E CB -0.046 29.654 29.700 -0.000 0.000 0.752 174 E HN 0.079 nan 8.360 nan 0.000 0.447 175 K N 0.032 120.429 120.400 -0.005 0.000 2.026 175 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 175 K C 2.077 178.669 176.600 -0.013 0.000 1.048 175 K CA 1.226 57.508 56.287 -0.009 0.000 0.929 175 K CB -0.223 32.271 32.500 -0.009 0.000 0.713 175 K HN 0.174 nan 8.250 nan 0.000 0.439 176 A N 1.544 124.356 122.820 -0.014 0.000 1.908 176 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 176 A C 2.163 179.735 177.584 -0.019 0.000 1.181 176 A CA 1.696 53.721 52.037 -0.021 0.000 0.627 176 A CB -0.606 18.380 19.000 -0.022 0.000 0.818 176 A HN 0.397 nan 8.150 nan 0.000 0.445 177 R N -0.452 120.040 120.500 -0.013 0.000 2.066 177 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 177 R C 2.012 178.305 176.300 -0.011 0.000 1.131 177 R CA 1.572 57.665 56.100 -0.011 0.000 0.955 177 R CB -0.390 29.906 30.300 -0.007 0.000 0.851 177 R HN 0.520 nan 8.270 nan 0.000 0.432 178 L N 0.315 121.532 121.223 -0.010 0.000 2.141 178 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 178 L C 1.409 178.272 176.870 -0.011 0.000 1.094 178 L CA 1.402 56.237 54.840 -0.009 0.000 0.763 178 L CB -0.117 41.937 42.059 -0.008 0.000 0.908 178 L HN 0.277 nan 8.230 nan 0.000 0.437 179 E N -0.471 119.721 120.200 -0.014 0.000 2.501 179 E HA 0.245 4.595 4.350 -0.000 0.000 0.201 179 E C 0.738 177.325 176.600 -0.020 0.000 1.016 179 E CA 0.360 56.750 56.400 -0.017 0.000 0.920 179 E CB 0.532 30.221 29.700 -0.018 0.000 1.023 179 E HN 0.321 nan 8.360 nan 0.000 0.474 180 A N 2.372 125.179 122.820 -0.020 0.000 2.640 180 A HA -0.231 4.089 4.320 -0.000 0.000 0.300 180 A C -0.084 177.480 177.584 -0.033 0.000 1.499 180 A CA 0.641 52.664 52.037 -0.024 0.000 0.759 180 A CB -1.198 17.790 19.000 -0.020 0.000 1.048 180 A HN 0.143 nan 8.150 nan 0.000 0.450 181 R N 0.059 120.536 120.500 -0.038 0.000 2.340 181 R HA 0.363 4.703 4.340 -0.000 0.000 0.300 181 R C 0.460 176.719 176.300 -0.068 0.000 1.069 181 R CA 0.165 56.232 56.100 -0.054 0.000 0.984 181 R CB 0.579 30.846 30.300 -0.054 0.000 1.003 181 R HN 0.692 nan 8.270 nan 0.000 0.459 182 D N 0.673 121.018 120.400 -0.091 0.000 2.469 182 D HA 0.100 4.740 4.640 -0.000 0.000 0.215 182 D C -0.158 176.029 176.300 -0.189 0.000 1.154 182 D CA -0.272 53.662 54.000 -0.111 0.000 0.832 182 D CB 0.228 40.976 40.800 -0.086 0.000 1.008 182 D HN 0.178 nan 8.370 nan 0.000 0.506 183 L N 0.808 121.894 121.223 -0.230 0.000 2.555 183 L HA 0.464 4.803 4.340 -0.000 0.000 0.264 183 L C -1.891 174.797 176.870 -0.303 0.000 0.972 183 L CA -0.703 53.901 54.840 -0.393 0.000 0.876 183 L CB 1.437 43.190 42.059 -0.510 0.000 1.216 183 L HN -0.009 nan 8.230 nan 0.000 0.415 184 I N 5.855 126.264 120.570 -0.270 0.000 2.312 184 I HA 0.357 4.526 4.170 -0.000 0.000 0.290 184 I C -0.611 175.439 176.117 -0.112 0.000 1.008 184 I CA -0.409 60.807 61.300 -0.139 0.000 1.226 184 I CB 1.211 39.177 38.000 -0.056 0.000 1.371 184 I HN 0.451 nan 8.210 nan 0.000 0.468 185 L N 7.471 128.654 121.223 -0.067 0.000 2.277 185 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 185 L C -0.492 176.400 176.870 0.036 0.000 1.028 185 L CA -0.769 54.079 54.840 0.013 0.000 0.835 185 L CB 1.318 43.376 42.059 -0.002 0.000 1.215 185 L HN 0.304 nan 8.230 nan 0.000 0.425 186 V N 1.718 121.681 119.914 0.082 0.000 2.353 186 V HA 0.094 4.213 4.120 -0.000 0.000 0.264 186 V C -0.007 176.035 176.094 -0.087 0.000 1.049 186 V CA -0.398 61.883 62.300 -0.032 0.000 0.896 186 V CB 1.280 33.027 31.823 -0.126 0.000 1.025 186 V HN 0.598 nan 8.190 nan 0.000 0.475 187 D N 4.633 124.987 120.400 -0.077 0.000 2.422 187 D HA 0.218 4.857 4.640 -0.000 0.000 0.227 187 D C 0.840 177.073 176.300 -0.111 0.000 1.190 187 D CA -0.087 53.873 54.000 -0.068 0.000 0.905 187 D CB 0.735 41.513 40.800 -0.037 0.000 1.034 187 D HN 0.709 nan 8.370 nan 0.000 0.507 188 T N 0.486 114.952 114.554 -0.147 0.000 2.726 188 T HA 0.496 4.845 4.350 -0.000 0.000 0.294 188 T C 0.678 175.345 174.700 -0.056 0.000 1.013 188 T CA -0.829 61.182 62.100 -0.148 0.000 0.996 188 T CB 0.898 69.665 68.868 -0.167 0.000 1.016 188 T HN 0.391 nan 8.240 nan 0.000 0.529 189 A N 0.404 123.206 122.820 -0.030 0.000 2.520 189 A HA 0.533 4.853 4.320 -0.000 0.000 0.245 189 A C 0.813 178.421 177.584 0.039 0.000 1.072 189 A CA -0.116 51.923 52.037 0.003 0.000 0.761 189 A CB -0.758 18.246 19.000 0.007 0.000 1.004 189 A HN 1.254 nan 8.150 nan 0.000 0.499 190 G N 2.770 111.589 108.800 0.032 0.000 2.417 190 G HA2 0.581 4.541 3.960 -0.000 0.000 0.320 190 G HA3 0.581 4.541 3.960 -0.000 0.000 0.320 190 G C -0.258 174.671 174.900 0.048 0.000 1.204 190 G CA -0.627 44.503 45.100 0.050 0.000 0.923 190 G HN 0.650 nan 8.290 nan 0.000 0.466 191 R N 2.077 122.617 120.500 0.067 0.000 2.854 191 R HA 0.391 4.730 4.340 -0.000 0.000 0.271 191 R C 1.181 177.511 176.300 0.049 0.000 0.994 191 R CA -1.048 55.080 56.100 0.046 0.000 0.945 191 R CB 1.679 32.001 30.300 0.038 0.000 1.194 191 R HN 0.439 nan 8.270 nan 0.000 0.476 192 L N 0.335 121.577 121.223 0.032 0.000 2.131 192 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 192 L C 1.015 177.905 176.870 0.033 0.000 1.092 192 L CA 1.542 56.400 54.840 0.029 0.000 0.759 192 L CB -0.151 41.919 42.059 0.017 0.000 0.903 192 L HN 0.556 nan 8.230 nan 0.000 0.435 193 Q N -0.927 118.889 119.800 0.027 0.000 2.501 193 Q HA 0.458 4.798 4.340 -0.000 0.000 0.288 193 Q C -0.929 175.072 176.000 0.001 0.000 1.051 193 Q CA -0.839 54.975 55.803 0.018 0.000 0.788 193 Q CB 1.988 30.729 28.738 0.003 0.000 1.469 193 Q HN -0.022 nan 8.270 nan 0.000 0.416 194 I N 2.913 123.465 120.570 -0.029 0.000 2.396 194 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 194 I C -0.593 175.475 176.117 -0.082 0.000 1.056 194 I CA -0.101 61.140 61.300 -0.100 0.000 1.365 194 I CB 0.456 38.352 38.000 -0.175 0.000 1.407 194 I HN 0.646 nan 8.210 nan 0.000 0.509 195 D N 4.711 125.063 120.400 -0.081 0.000 2.575 195 D HA 0.147 4.787 4.640 -0.000 0.000 0.236 195 D C 0.363 176.621 176.300 -0.069 0.000 1.075 195 D CA -0.584 53.380 54.000 -0.059 0.000 0.860 195 D CB 2.058 42.836 40.800 -0.035 0.000 1.475 195 D HN 0.299 nan 8.370 nan 0.000 0.474 196 E N 0.666 120.832 120.200 -0.056 0.000 2.085 196 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 196 E C -1.059 175.517 176.600 -0.040 0.000 0.994 196 E CA 1.544 57.913 56.400 -0.052 0.000 0.801 196 E CB -1.128 28.548 29.700 -0.039 0.000 0.743 196 E HN 0.395 nan 8.360 nan 0.000 0.453 197 P HA -0.143 nan 4.420 nan 0.000 0.215 197 P C 1.459 178.750 177.300 -0.016 0.000 1.153 197 P CA 0.915 64.004 63.100 -0.018 0.000 0.853 197 P CB -0.046 31.646 31.700 -0.013 0.000 0.788 198 L N -1.492 119.716 121.223 -0.024 0.000 1.994 198 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 198 L C 2.082 178.941 176.870 -0.019 0.000 1.071 198 L CA 2.187 57.017 54.840 -0.017 0.000 0.745 198 L CB -1.150 40.895 42.059 -0.024 0.000 0.892 198 L HN -0.133 nan 8.230 nan 0.000 0.431 199 M N -0.279 119.283 119.600 -0.063 0.000 2.159 199 M HA -0.068 4.411 4.480 -0.000 0.000 0.263 199 M C 2.314 178.605 176.300 -0.014 0.000 1.063 199 M CA 1.542 56.799 55.300 -0.071 0.000 1.110 199 M CB -2.316 30.205 32.600 -0.132 0.000 1.374 199 M HN 0.456 nan 8.290 nan 0.000 0.411 200 G N -0.201 108.592 108.800 -0.012 0.000 2.402 200 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.216 200 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.216 200 G C 1.541 176.455 174.900 0.025 0.000 1.162 200 G CA 0.875 45.978 45.100 0.005 0.000 0.777 200 G HN 0.586 nan 8.290 nan 0.000 0.539 201 E N 0.035 120.249 120.200 0.024 0.000 2.106 201 E HA -0.042 4.308 4.350 -0.000 0.000 0.192 201 E C 2.492 179.130 176.600 0.063 0.000 0.984 201 E CA 0.415 56.836 56.400 0.034 0.000 0.806 201 E CB -0.172 29.541 29.700 0.021 0.000 0.750 201 E HN 0.444 nan 8.360 nan 0.000 0.458 202 L N 0.382 121.651 121.223 0.078 0.000 2.056 202 L HA -0.137 4.203 4.340 -0.000 0.000 0.207 202 L C 2.729 179.713 176.870 0.190 0.000 1.078 202 L CA 1.064 55.990 54.840 0.143 0.000 0.749 202 L CB -0.563 41.600 42.059 0.173 0.000 0.901 202 L HN 0.213 nan 8.230 nan 0.000 0.433 203 A N 0.170 123.063 122.820 0.122 0.000 1.933 203 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 203 A C 2.349 179.992 177.584 0.097 0.000 1.175 203 A CA 1.843 53.940 52.037 0.101 0.000 0.628 203 A CB -0.444 18.589 19.000 0.055 0.000 0.814 203 A HN 0.284 nan 8.150 nan 0.000 0.444 204 R N -0.391 120.161 120.500 0.087 0.000 2.066 204 R HA -0.032 4.307 4.340 -0.000 0.000 0.232 204 R C 1.874 178.241 176.300 0.113 0.000 1.131 204 R CA 1.638 57.784 56.100 0.077 0.000 0.955 204 R CB -1.069 29.265 30.300 0.055 0.000 0.851 204 R HN 0.386 nan 8.270 nan 0.000 0.432 205 L N 1.147 122.461 121.223 0.153 0.000 2.127 205 L HA -0.125 4.214 4.340 -0.000 0.000 0.211 205 L C 2.186 179.280 176.870 0.372 0.000 1.089 205 L CA 1.968 56.941 54.840 0.223 0.000 0.757 205 L CB -0.489 41.672 42.059 0.171 0.000 0.899 205 L HN 0.267 nan 8.230 nan 0.000 0.434 206 K N -0.560 120.045 120.400 0.341 0.000 2.057 206 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 206 K C 1.925 178.535 176.600 0.015 0.000 1.050 206 K CA 1.638 57.987 56.287 0.104 0.000 0.935 206 K CB -0.077 32.445 32.500 0.037 0.000 0.715 206 K HN 0.468 nan 8.250 nan 0.000 0.439 207 E N 0.033 120.263 120.200 0.051 0.000 2.077 207 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 207 E C 1.970 178.591 176.600 0.035 0.000 0.989 207 E CA 1.476 57.893 56.400 0.028 0.000 0.800 207 E CB 0.072 29.792 29.700 0.034 0.000 0.746 207 E HN 0.103 nan 8.360 nan 0.000 0.452 208 V N 1.161 121.115 119.914 0.066 0.000 2.323 208 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 208 V C 2.190 178.328 176.094 0.072 0.000 1.041 208 V CA 1.340 63.680 62.300 0.066 0.000 1.025 208 V CB -0.302 31.566 31.823 0.075 0.000 0.656 208 V HN 0.258 nan 8.190 nan 0.000 0.451 209 L N 0.320 121.614 121.223 0.117 0.000 2.341 209 L HA 0.239 4.579 4.340 -0.000 0.000 0.214 209 L C 1.616 178.505 176.870 0.031 0.000 1.115 209 L CA 0.829 55.742 54.840 0.123 0.000 0.820 209 L CB -0.815 41.423 42.059 0.299 0.000 0.944 209 L HN 0.585 nan 8.230 nan 0.000 0.452 210 G N 1.988 110.763 108.800 -0.041 0.000 2.372 210 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.297 210 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.297 210 G C -1.940 172.886 174.900 -0.123 0.000 1.005 210 G CA -0.404 44.645 45.100 -0.084 0.000 1.173 210 G HN 0.233 nan 8.290 nan 0.000 0.511 211 P HA 0.178 nan 4.420 nan 0.000 0.269 211 P C 0.407 177.654 177.300 -0.088 0.000 1.209 211 P CA -0.126 62.846 63.100 -0.213 0.000 0.776 211 P CB 0.959 32.296 31.700 -0.605 0.000 0.876 212 D N 0.670 121.113 120.400 0.070 0.000 2.194 212 D HA -0.022 4.617 4.640 -0.000 0.000 0.204 212 D C 0.371 176.645 176.300 -0.044 0.000 0.964 212 D CA 1.335 55.375 54.000 0.066 0.000 0.846 212 D CB 0.567 41.488 40.800 0.201 0.000 0.962 212 D HN 0.492 nan 8.370 nan 0.000 0.490 213 E N 0.222 120.360 120.200 -0.104 0.000 2.340 213 E HA 0.426 4.776 4.350 -0.000 0.000 0.273 213 E C -0.990 175.530 176.600 -0.133 0.000 0.891 213 E CA -0.721 55.495 56.400 -0.305 0.000 0.757 213 E CB 3.459 32.568 29.700 -0.985 0.000 1.231 213 E HN -0.261 nan 8.360 nan 0.000 0.439 214 V N 3.036 122.900 119.914 -0.084 0.000 2.398 214 V HA 0.199 4.319 4.120 -0.000 0.000 0.282 214 V C -0.852 175.254 176.094 0.021 0.000 1.014 214 V CA -0.656 61.659 62.300 0.025 0.000 0.838 214 V CB 1.042 32.874 31.823 0.015 0.000 1.018 214 V HN 0.431 nan 8.190 nan 0.000 0.432 215 L N 5.456 126.716 121.223 0.061 0.000 2.278 215 L HA 0.448 4.788 4.340 -0.000 0.000 0.287 215 L C -0.260 176.600 176.870 -0.016 0.000 1.072 215 L CA -0.107 54.761 54.840 0.047 0.000 0.819 215 L CB 1.206 43.337 42.059 0.121 0.000 1.176 215 L HN 0.527 nan 8.230 nan 0.000 0.435 216 L N 5.895 127.068 121.223 -0.084 0.000 2.261 216 L HA 0.440 4.779 4.340 -0.000 0.000 0.289 216 L C -0.392 176.389 176.870 -0.149 0.000 1.059 216 L CA -0.030 54.694 54.840 -0.193 0.000 0.816 216 L CB 1.056 42.982 42.059 -0.222 0.000 1.191 216 L HN 0.290 nan 8.230 nan 0.000 0.431 217 V N 6.901 126.724 119.914 -0.152 0.000 2.498 217 V HA 0.400 4.520 4.120 -0.000 0.000 0.279 217 V C 0.225 176.253 176.094 -0.110 0.000 1.048 217 V CA -0.379 61.864 62.300 -0.095 0.000 0.967 217 V CB 1.099 32.884 31.823 -0.064 0.000 0.988 217 V HN 0.620 nan 8.190 nan 0.000 0.473 218 L N 3.298 124.473 121.223 -0.079 0.000 2.401 218 L HA 0.514 4.854 4.340 -0.000 0.000 0.266 218 L C -0.577 176.270 176.870 -0.039 0.000 0.991 218 L CA -0.729 54.073 54.840 -0.064 0.000 0.818 218 L CB 2.315 44.330 42.059 -0.072 0.000 1.321 218 L HN 0.524 nan 8.230 nan 0.000 0.413 219 D N 1.809 122.194 120.400 -0.025 0.000 2.352 219 D HA 0.250 4.890 4.640 -0.000 0.000 0.245 219 D C 0.898 177.188 176.300 -0.017 0.000 1.224 219 D CA 0.055 54.048 54.000 -0.012 0.000 0.879 219 D CB 1.919 42.716 40.800 -0.005 0.000 1.057 219 D HN 0.611 nan 8.370 nan 0.000 0.491 220 A N 4.655 127.469 122.820 -0.011 0.000 2.032 220 A HA -0.205 4.114 4.320 -0.000 0.000 0.221 220 A C 2.046 179.610 177.584 -0.033 0.000 1.165 220 A CA 1.170 53.195 52.037 -0.020 0.000 0.645 220 A CB -0.503 18.512 19.000 0.025 0.000 0.807 220 A HN 0.752 nan 8.150 nan 0.000 0.453 221 M N 0.333 119.926 119.600 -0.013 0.000 2.700 221 M HA -0.067 4.413 4.480 -0.000 0.000 0.249 221 M C 1.508 177.792 176.300 -0.027 0.000 1.082 221 M CA 1.391 56.680 55.300 -0.017 0.000 1.077 221 M CB -0.393 32.207 32.600 0.001 0.000 1.477 221 M HN 0.632 nan 8.290 nan 0.000 0.529 222 T N -3.422 111.113 114.554 -0.031 0.000 3.086 222 T HA 0.445 4.794 4.350 -0.000 0.000 0.250 222 T C 1.274 175.948 174.700 -0.043 0.000 1.074 222 T CA 0.137 62.219 62.100 -0.029 0.000 0.988 222 T CB 0.039 68.897 68.868 -0.017 0.000 0.988 222 T HN 0.527 nan 8.240 nan 0.000 0.530 223 G N 2.111 110.872 108.800 -0.064 0.000 2.574 223 G HA2 -0.390 3.569 3.960 -0.000 0.000 0.286 223 G HA3 -0.390 3.569 3.960 -0.000 0.000 0.286 223 G C 0.664 175.521 174.900 -0.070 0.000 1.212 223 G CA 0.550 45.600 45.100 -0.083 0.000 0.979 223 G HN 0.413 nan 8.290 nan 0.000 0.557 224 Q N -0.212 119.547 119.800 -0.067 0.000 2.181 224 Q HA -0.136 4.204 4.340 -0.000 0.000 0.205 224 Q C 2.476 178.455 176.000 -0.035 0.000 0.980 224 Q CA 1.932 57.702 55.803 -0.054 0.000 0.862 224 Q CB -0.139 28.567 28.738 -0.053 0.000 0.905 224 Q HN 0.667 nan 8.270 nan 0.000 0.429 225 E N 0.625 120.808 120.200 -0.029 0.000 2.097 225 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 225 E C 1.731 178.328 176.600 -0.005 0.000 1.000 225 E CA 1.439 57.831 56.400 -0.014 0.000 0.804 225 E CB -0.193 29.500 29.700 -0.012 0.000 0.740 225 E HN 0.367 nan 8.360 nan 0.000 0.454 226 A N 0.398 123.208 122.820 -0.017 0.000 1.940 226 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 226 A C 2.184 179.763 177.584 -0.008 0.000 1.176 226 A CA 1.526 53.554 52.037 -0.014 0.000 0.631 226 A CB -0.615 18.363 19.000 -0.038 0.000 0.814 226 A HN 0.371 nan 8.150 nan 0.000 0.446 227 L N -1.144 120.069 121.223 -0.017 0.000 2.341 227 L HA -0.027 4.312 4.340 -0.000 0.000 0.214 227 L C 2.700 179.576 176.870 0.010 0.000 1.115 227 L CA 1.054 55.888 54.840 -0.010 0.000 0.820 227 L CB -0.411 41.635 42.059 -0.023 0.000 0.944 227 L HN 0.477 nan 8.230 nan 0.000 0.452 228 S N 0.073 115.780 115.700 0.011 0.000 2.371 228 S HA -0.110 4.360 4.470 -0.000 0.000 0.224 228 S C 1.986 176.612 174.600 0.043 0.000 1.029 228 S CA 0.943 59.153 58.200 0.017 0.000 0.978 228 S CB 0.009 63.213 63.200 0.008 0.000 0.833 228 S HN 0.160 nan 8.310 nan 0.000 0.466 229 V N 2.210 122.164 119.914 0.068 0.000 2.343 229 V HA -0.126 3.994 4.120 -0.000 0.000 0.247 229 V C 2.844 179.070 176.094 0.219 0.000 1.051 229 V CA 1.751 64.141 62.300 0.149 0.000 1.036 229 V CB -1.286 30.633 31.823 0.160 0.000 0.654 229 V HN 0.599 nan 8.190 nan 0.000 0.451 230 A N 0.225 123.117 122.820 0.120 0.000 1.933 230 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 230 A C 2.310 179.956 177.584 0.104 0.000 1.175 230 A CA 2.233 54.329 52.037 0.097 0.000 0.628 230 A CB -0.517 18.493 19.000 0.015 0.000 0.814 230 A HN 0.502 nan 8.150 nan 0.000 0.444 231 R N -0.097 120.444 120.500 0.068 0.000 2.066 231 R HA -0.009 4.331 4.340 -0.000 0.000 0.232 231 R C 2.228 178.557 176.300 0.049 0.000 1.131 231 R CA 1.816 57.943 56.100 0.046 0.000 0.955 231 R CB -0.667 29.648 30.300 0.024 0.000 0.851 231 R HN 0.380 nan 8.270 nan 0.000 0.432 232 A N -0.158 122.689 122.820 0.044 0.000 1.865 232 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 232 A C 2.127 179.692 177.584 -0.032 0.000 1.191 232 A CA 1.549 53.573 52.037 -0.021 0.000 0.623 232 A CB -0.943 18.012 19.000 -0.074 0.000 0.826 232 A HN 0.413 nan 8.150 nan 0.000 0.444 233 F N 0.066 120.017 119.950 0.001 0.000 2.161 233 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 233 F C 2.134 177.939 175.800 0.008 0.000 1.089 233 F CA 1.958 59.964 58.000 0.010 0.000 1.282 233 F CB -0.322 38.685 39.000 0.012 0.000 1.010 233 F HN 0.352 nan 8.300 nan 0.000 0.485 234 D N -0.274 120.232 120.400 0.177 0.000 2.149 234 D HA -0.174 4.465 4.640 -0.000 0.000 0.201 234 D C 2.173 178.504 176.300 0.053 0.000 0.972 234 D CA 1.119 55.176 54.000 0.094 0.000 0.835 234 D CB -0.166 40.667 40.800 0.055 0.000 0.966 234 D HN 0.320 nan 8.370 nan 0.000 0.476 235 E N -0.476 119.743 120.200 0.033 0.000 2.072 235 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 235 E C 1.532 178.133 176.600 0.002 0.000 0.982 235 E CA 0.776 57.182 56.400 0.009 0.000 0.803 235 E CB 0.210 29.907 29.700 -0.005 0.000 0.755 235 E HN 0.068 nan 8.360 nan 0.000 0.453 236 K N -0.123 120.270 120.400 -0.011 0.000 2.137 236 K HA 0.015 4.335 4.320 -0.000 0.000 0.202 236 K C 2.001 178.610 176.600 0.016 0.000 1.052 236 K CA 0.639 56.912 56.287 -0.023 0.000 0.961 236 K CB 0.238 32.685 32.500 -0.089 0.000 0.741 236 K HN 0.114 nan 8.250 nan 0.000 0.452 237 V N -1.249 118.702 119.914 0.062 0.000 2.996 237 V HA 0.287 4.406 4.120 -0.000 0.000 0.235 237 V C 0.471 176.617 176.094 0.086 0.000 1.205 237 V CA 0.402 62.767 62.300 0.109 0.000 1.225 237 V CB 0.224 32.181 31.823 0.224 0.000 0.995 237 V HN 0.383 nan 8.190 nan 0.000 0.484 238 G N 1.623 110.478 108.800 0.092 0.000 3.439 238 G HA2 0.101 4.061 3.960 -0.000 0.000 0.686 238 G HA3 0.101 4.061 3.960 -0.000 0.000 0.686 238 G C -0.761 174.168 174.900 0.048 0.000 1.075 238 G CA -0.230 44.900 45.100 0.051 0.000 0.926 238 G HN 1.190 nan 8.290 nan 0.000 0.485 239 V N 0.285 120.221 119.914 0.036 0.000 2.881 239 V HA 0.953 5.073 4.120 -0.000 0.000 0.316 239 V C 1.015 177.091 176.094 -0.031 0.000 1.070 239 V CA 0.600 62.905 62.300 0.008 0.000 0.976 239 V CB 1.840 33.664 31.823 0.002 0.000 1.038 239 V HN 1.734 nan 8.190 nan 0.000 0.446 240 T N -0.916 113.609 114.554 -0.048 0.000 2.978 240 T HA 0.590 4.940 4.350 -0.000 0.000 0.248 240 T C 0.753 175.381 174.700 -0.121 0.000 1.018 240 T CA 0.509 62.574 62.100 -0.059 0.000 1.026 240 T CB 0.187 69.029 68.868 -0.043 0.000 1.032 240 T HN 1.649 nan 8.240 nan 0.000 0.485 241 G N 0.479 109.185 108.800 -0.156 0.000 2.623 241 G HA2 0.629 4.589 3.960 -0.000 0.000 0.290 241 G HA3 0.629 4.589 3.960 -0.000 0.000 0.290 241 G C -2.079 172.669 174.900 -0.252 0.000 1.437 241 G CA -1.050 43.793 45.100 -0.428 0.000 0.798 241 G HN 0.335 nan 8.290 nan 0.000 0.488 242 L N -0.571 120.459 121.223 -0.321 0.000 2.323 242 L HA 0.828 5.168 4.340 -0.000 0.000 0.265 242 L C -0.660 176.147 176.870 -0.105 0.000 1.012 242 L CA -1.305 53.424 54.840 -0.184 0.000 0.820 242 L CB 2.437 44.365 42.059 -0.217 0.000 1.334 242 L HN 0.290 nan 8.230 nan 0.000 0.427 243 V N 2.702 122.585 119.914 -0.053 0.000 2.482 243 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 243 V C -0.401 175.665 176.094 -0.047 0.000 1.026 243 V CA -0.336 61.972 62.300 0.015 0.000 0.856 243 V CB 2.016 33.896 31.823 0.095 0.000 1.001 243 V HN 0.475 nan 8.190 nan 0.000 0.424 244 L N 5.311 126.490 121.223 -0.074 0.000 2.265 244 L HA 0.592 4.931 4.340 -0.000 0.000 0.289 244 L C 0.719 177.591 176.870 0.003 0.000 1.033 244 L CA -0.166 54.638 54.840 -0.061 0.000 0.814 244 L CB 1.848 43.842 42.059 -0.109 0.000 1.203 244 L HN 0.813 nan 8.230 nan 0.000 0.423 245 T N -0.840 113.719 114.554 0.007 0.000 2.936 245 T HA 0.383 4.732 4.350 -0.000 0.000 0.282 245 T C 0.278 175.001 174.700 0.039 0.000 1.003 245 T CA -0.841 61.275 62.100 0.026 0.000 1.005 245 T CB 1.315 70.191 68.868 0.013 0.000 1.097 245 T HN 0.590 nan 8.240 nan 0.000 0.532 246 K N 0.140 120.568 120.400 0.046 0.000 3.077 246 K HA -0.146 4.174 4.320 -0.000 0.000 0.264 246 K C 0.914 177.566 176.600 0.085 0.000 1.008 246 K CA 0.298 56.617 56.287 0.054 0.000 0.740 246 K CB -1.788 30.734 32.500 0.037 0.000 1.273 246 K HN 0.571 nan 8.250 nan 0.000 0.477 247 L N 0.262 121.553 121.223 0.115 0.000 2.141 247 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 247 L C 1.888 178.871 176.870 0.190 0.000 1.094 247 L CA 1.446 56.404 54.840 0.196 0.000 0.763 247 L CB -0.204 41.983 42.059 0.212 0.000 0.908 247 L HN 0.368 nan 8.230 nan 0.000 0.437 248 D N -0.269 120.197 120.400 0.111 0.000 2.219 248 D HA -0.119 4.521 4.640 -0.000 0.000 0.205 248 D C 1.955 178.310 176.300 0.092 0.000 0.970 248 D CA 1.400 55.451 54.000 0.085 0.000 0.851 248 D CB 0.047 40.879 40.800 0.054 0.000 0.943 248 D HN 0.407 nan 8.370 nan 0.000 0.488 249 G N 0.537 109.390 108.800 0.087 0.000 2.623 249 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.214 249 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.214 249 G C 0.518 175.465 174.900 0.079 0.000 1.138 249 G CA -0.139 45.003 45.100 0.069 0.000 0.794 249 G HN 0.045 nan 8.290 nan 0.000 0.535 250 D N 0.953 121.424 120.400 0.119 0.000 2.374 250 D HA 0.446 5.086 4.640 -0.000 0.000 0.240 250 D C 1.324 177.721 176.300 0.163 0.000 1.229 250 D CA -0.063 53.996 54.000 0.099 0.000 0.895 250 D CB 1.028 41.873 40.800 0.076 0.000 1.046 250 D HN 0.036 nan 8.370 nan 0.000 0.498 251 A N 4.532 127.402 122.820 0.084 0.000 2.238 251 A HA 0.023 4.343 4.320 -0.000 0.000 0.208 251 A C 1.897 179.511 177.584 0.050 0.000 1.177 251 A CA 0.521 52.618 52.037 0.100 0.000 0.804 251 A CB 0.084 19.117 19.000 0.055 0.000 0.823 251 A HN 0.531 nan 8.150 nan 0.000 0.482 252 R N -1.805 118.651 120.500 -0.073 0.000 1.986 252 R HA 0.394 4.733 4.340 -0.000 0.000 0.208 252 R C 1.449 177.444 176.300 -0.508 0.000 1.376 252 R CA 0.716 56.702 56.100 -0.191 0.000 1.075 252 R CB -0.171 30.023 30.300 -0.177 0.000 0.925 252 R HN 0.605 nan 8.270 nan 0.000 0.475 253 G N -0.774 107.533 108.800 -0.822 0.000 2.184 253 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.206 253 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.206 253 G C 0.889 175.406 174.900 -0.637 0.000 0.995 253 G CA 0.189 44.409 45.100 -1.466 0.000 0.651 253 G HN 0.517 nan 8.290 nan 0.000 0.511 254 G N 0.949 109.517 108.800 -0.387 0.000 2.469 254 G HA2 0.104 4.064 3.960 -0.000 0.000 0.219 254 G HA3 0.104 4.064 3.960 -0.000 0.000 0.219 254 G C 1.979 176.766 174.900 -0.188 0.000 1.150 254 G CA 2.864 47.821 45.100 -0.239 0.000 0.763 254 G HN 1.614 nan 8.290 nan 0.000 0.561 255 A N 1.100 123.809 122.820 -0.185 0.000 1.855 255 A HA 0.326 4.645 4.320 -0.000 0.000 0.215 255 A C 2.863 180.379 177.584 -0.113 0.000 1.191 255 A CA 2.303 54.263 52.037 -0.129 0.000 0.613 255 A CB -0.918 18.015 19.000 -0.112 0.000 0.829 255 A HN 0.869 nan 8.150 nan 0.000 0.442 256 A N -0.362 122.389 122.820 -0.114 0.000 1.902 256 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 256 A C 2.122 179.722 177.584 0.027 0.000 1.181 256 A CA 1.569 53.592 52.037 -0.024 0.000 0.623 256 A CB -0.610 18.502 19.000 0.185 0.000 0.818 256 A HN 0.468 nan 8.150 nan 0.000 0.443 257 L N -0.505 120.713 121.223 -0.008 0.000 2.291 257 L HA -0.053 4.286 4.340 -0.000 0.000 0.214 257 L C 2.143 179.015 176.870 0.003 0.000 1.120 257 L CA 1.136 55.989 54.840 0.023 0.000 0.799 257 L CB -0.020 42.015 42.059 -0.041 0.000 0.925 257 L HN 0.301 nan 8.230 nan 0.000 0.446 258 S N -0.761 114.915 115.700 -0.041 0.000 2.511 258 S HA 0.184 4.654 4.470 -0.000 0.000 0.214 258 S C 2.100 176.700 174.600 -0.001 0.000 0.997 258 S CA 0.411 58.588 58.200 -0.039 0.000 0.908 258 S CB 0.414 63.565 63.200 -0.081 0.000 0.803 258 S HN 0.379 nan 8.310 nan 0.000 0.504 259 A N 3.056 125.862 122.820 -0.023 0.000 1.859 259 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 259 A C 2.076 179.654 177.584 -0.011 0.000 1.198 259 A CA 1.949 53.962 52.037 -0.039 0.000 0.629 259 A CB -0.686 18.254 19.000 -0.101 0.000 0.830 259 A HN 0.439 nan 8.150 nan 0.000 0.446 260 R N -1.715 118.790 120.500 0.008 0.000 2.080 260 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 260 R C 2.351 178.684 176.300 0.055 0.000 1.137 260 R CA 1.920 58.030 56.100 0.016 0.000 0.943 260 R CB -0.574 29.748 30.300 0.036 0.000 0.846 260 R HN 0.773 nan 8.270 nan 0.000 0.431 261 H N 0.057 119.122 119.070 -0.009 0.000 2.270 261 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 261 H C 2.007 177.328 175.328 -0.012 0.000 1.077 261 H CA 2.204 58.251 56.048 -0.003 0.000 1.294 261 H CB -0.101 29.669 29.762 0.012 0.000 1.371 261 H HN 0.110 nan 8.280 nan 0.000 0.491 262 V N 0.409 120.460 119.914 0.229 0.000 2.379 262 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 262 V C 2.764 178.889 176.094 0.051 0.000 1.044 262 V CA 2.293 64.675 62.300 0.137 0.000 1.036 262 V CB -0.703 31.159 31.823 0.064 0.000 0.664 262 V HN 0.699 nan 8.190 nan 0.000 0.453 263 T N -3.330 111.235 114.554 0.018 0.000 3.040 263 T HA 0.281 4.631 4.350 -0.000 0.000 0.252 263 T C 1.641 176.324 174.700 -0.028 0.000 1.064 263 T CA 1.056 63.150 62.100 -0.011 0.000 1.110 263 T CB 0.655 69.505 68.868 -0.031 0.000 0.921 263 T HN 0.990 nan 8.240 nan 0.000 0.480 264 G N 1.882 110.662 108.800 -0.033 0.000 2.155 264 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.257 264 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.257 264 G C -0.104 174.753 174.900 -0.073 0.000 0.983 264 G CA 0.205 45.276 45.100 -0.049 0.000 0.676 264 G HN 0.636 nan 8.290 nan 0.000 0.528 265 K N 0.997 121.339 120.400 -0.097 0.000 2.182 265 K HA 0.507 4.827 4.320 -0.000 0.000 0.262 265 K C -2.264 174.203 176.600 -0.222 0.000 0.957 265 K CA -2.084 54.107 56.287 -0.159 0.000 0.842 265 K CB 2.348 34.754 32.500 -0.158 0.000 1.099 265 K HN 0.193 nan 8.250 nan 0.000 0.438 266 P HA 0.296 nan 4.420 nan 0.000 0.278 266 P C -0.315 176.656 177.300 -0.548 0.000 1.238 266 P CA -0.362 62.509 63.100 -0.382 0.000 0.794 266 P CB 0.790 32.242 31.700 -0.413 0.000 0.955 267 I N 3.380 123.707 120.570 -0.405 0.000 2.291 267 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 267 I C 1.061 177.001 176.117 -0.296 0.000 1.050 267 I CA -0.495 60.522 61.300 -0.472 0.000 1.245 267 I CB 0.355 37.851 38.000 -0.839 0.000 1.405 267 I HN 0.300 nan 8.210 nan 0.000 0.478 268 Y N 5.654 125.816 120.300 -0.230 0.000 2.206 268 Y HA 0.125 4.675 4.550 -0.000 0.000 0.292 268 Y C 0.559 176.017 175.900 -0.736 0.000 1.123 268 Y CA 0.635 58.483 58.100 -0.420 0.000 1.142 268 Y CB -0.159 38.117 38.460 -0.306 0.000 1.006 268 Y HN 0.292 nan 8.280 nan 0.000 0.518 269 F N -1.593 118.395 119.950 0.065 0.000 2.603 269 F HA 0.711 5.238 4.527 -0.000 0.000 0.317 269 F C -0.206 175.581 175.800 -0.020 0.000 1.066 269 F CA -1.726 56.264 58.000 -0.016 0.000 0.941 269 F CB 1.351 40.313 39.000 -0.064 0.000 1.291 269 F HN -0.274 nan 8.300 nan 0.000 0.472 270 A N 0.630 123.580 122.820 0.217 0.000 2.365 270 A HA 0.817 5.136 4.320 -0.000 0.000 0.318 270 A C -0.166 177.495 177.584 0.127 0.000 1.091 270 A CA -0.358 51.785 52.037 0.175 0.000 0.763 270 A CB 0.948 20.125 19.000 0.294 0.000 1.248 270 A HN 0.956 nan 8.150 nan 0.000 0.442 280 E N 3.752 123.984 120.200 0.053 0.000 2.437 280 E HA 0.653 5.003 4.350 -0.000 0.000 0.280 280 E C -2.985 173.612 176.600 -0.004 0.000 1.044 280 E CA -2.222 54.193 56.400 0.026 0.000 0.826 280 E CB 1.945 31.701 29.700 0.093 0.000 1.358 280 E HN 0.242 nan 8.360 nan 0.000 0.459 281 P HA -0.001 nan 4.420 nan 0.000 0.268 281 P C -1.169 175.696 177.300 -0.725 0.000 1.208 281 P CA -0.011 62.741 63.100 -0.581 0.000 0.777 281 P CB 0.191 31.559 31.700 -0.553 0.000 0.875 282 F N 2.993 122.515 119.950 -0.714 0.000 2.420 282 F HA 0.335 4.862 4.527 -0.001 0.000 0.352 282 F C -0.656 174.823 175.800 -0.536 0.000 1.108 282 F CA -0.228 57.479 58.000 -0.488 0.000 1.162 282 F CB 0.174 39.023 39.000 -0.251 0.000 1.118 282 F HN 0.211 nan 8.300 nan 0.000 0.510 283 Y N 8.001 127.929 120.300 -0.620 0.000 2.575 283 Y HA 0.342 4.891 4.550 -0.001 0.000 0.326 283 Y C -1.831 173.675 175.900 -0.657 0.000 0.979 283 Y CA -2.710 55.112 58.100 -0.462 0.000 1.286 283 Y CB 0.681 38.989 38.460 -0.254 0.000 1.093 283 Y HN 0.482 nan 8.280 nan 0.000 0.501 284 P HA -0.230 nan 4.420 nan 0.000 0.214 284 P C 1.531 178.721 177.300 -0.184 0.000 1.163 284 P CA 1.657 64.583 63.100 -0.291 0.000 0.889 284 P CB 0.522 32.186 31.700 -0.061 0.000 0.790 285 E N -0.466 119.670 120.200 -0.108 0.000 2.085 285 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 285 E C 2.306 178.894 176.600 -0.020 0.000 0.994 285 E CA 1.014 57.372 56.400 -0.071 0.000 0.801 285 E CB -0.246 29.460 29.700 0.010 0.000 0.743 285 E HN -0.041 nan 8.360 nan 0.000 0.453 286 R N 0.095 120.570 120.500 -0.042 0.000 2.075 286 R HA -0.150 4.189 4.340 -0.000 0.000 0.232 286 R C 2.374 178.640 176.300 -0.058 0.000 1.126 286 R CA 1.288 57.365 56.100 -0.037 0.000 0.963 286 R CB -0.288 29.983 30.300 -0.048 0.000 0.858 286 R HN 0.280 nan 8.270 nan 0.000 0.435 287 L N 0.839 121.980 121.223 -0.136 0.000 2.093 287 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 287 L C 2.252 179.070 176.870 -0.087 0.000 1.085 287 L CA 1.921 56.665 54.840 -0.159 0.000 0.755 287 L CB -0.559 41.360 42.059 -0.233 0.000 0.904 287 L HN 0.243 nan 8.230 nan 0.000 0.435 288 A N -0.641 122.138 122.820 -0.068 0.000 1.933 288 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 288 A C 2.317 179.965 177.584 0.106 0.000 1.175 288 A CA 1.504 53.514 52.037 -0.044 0.000 0.628 288 A CB -1.436 17.380 19.000 -0.306 0.000 0.814 288 A HN 0.504 nan 8.150 nan 0.000 0.444 289 G N -0.668 108.239 108.800 0.179 0.000 2.404 289 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 289 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 289 G C 1.753 176.703 174.900 0.083 0.000 1.174 289 G CA 0.744 45.971 45.100 0.212 0.000 0.780 289 G HN 0.543 nan 8.290 nan 0.000 0.537 290 R N -0.145 120.365 120.500 0.017 0.000 2.096 290 R HA 0.047 4.387 4.340 -0.000 0.000 0.235 290 R C 2.543 178.832 176.300 -0.019 0.000 1.127 290 R CA 0.967 57.052 56.100 -0.025 0.000 0.968 290 R CB -0.394 29.855 30.300 -0.084 0.000 0.861 290 R HN 0.376 nan 8.270 nan 0.000 0.440 291 I N 0.859 121.423 120.570 -0.010 0.000 2.286 291 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 291 I C 1.685 177.842 176.117 0.067 0.000 1.115 291 I CA 1.265 62.584 61.300 0.032 0.000 1.392 291 I CB -0.065 37.985 38.000 0.084 0.000 1.065 291 I HN 0.159 nan 8.210 nan 0.000 0.418 292 L N 0.462 121.736 121.223 0.086 0.000 2.627 292 L HA 0.221 4.561 4.340 -0.000 0.000 0.232 292 L C 1.175 178.078 176.870 0.055 0.000 1.150 292 L CA 0.262 55.156 54.840 0.089 0.000 0.917 292 L CB -0.306 41.833 42.059 0.132 0.000 1.104 292 L HN 0.458 nan 8.230 nan 0.000 0.445 293 G N 1.680 110.502 108.800 0.037 0.000 2.171 293 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.238 293 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.238 293 G C 0.190 175.096 174.900 0.011 0.000 1.039 293 G CA 0.347 45.459 45.100 0.020 0.000 0.759 293 G HN 0.461 nan 8.290 nan 0.000 0.501 294 M N -2.025 117.583 119.600 0.013 0.000 2.151 294 M HA 0.637 5.117 4.480 -0.000 0.000 0.229 294 M C 0.060 176.360 176.300 0.000 0.000 1.029 294 M CA -0.098 55.202 55.300 -0.000 0.000 0.765 294 M CB 1.091 33.684 32.600 -0.011 0.000 1.969 294 M HN 1.131 nan 8.290 nan 0.000 0.352 295 G N 0.000 108.795 108.800 -0.008 0.000 5.446 295 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 295 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 295 G CA 0.000 45.091 45.100 -0.014 0.000 0.502 295 G HN 0.000 nan 8.290 nan 0.000 0.925