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 3cp9_1_A DATA FIRST_RESID 817 DATA SEQUENCE AERLPYDASK WEFPRDRLKL GKPLXXXXXX QVIEADAFGI DKTATCRTVA DATA SEQUENCE VKMLKEGATH SEHRALMSEL KILIHIGHHL NVVNLLGACT KPGGPLMVIT DATA SEQUENCE EFCKFGNLST YLRSKRNEFV PYKXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXVAPEDLY KDFLTLEHLI CYSFQVAKGM DATA SEQUENCE EFLASRKCIH RDLAARNILL SEKNVVKICD FGXXXXXXXX XXXXXXXXXX DATA SEQUENCE LPLKWMAPET IFDRVYTIQS DVWSFGVLLW EIFSLGASPY PGVKIDEEFC DATA SEQUENCE RRLKEGTRMR APDYTTPEMY QTMLDCWHGE PSQRPTFSEL VEHLGNLLQA DATA SEQUENCE NAQQDRHHHH HH 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 817 A HA 0.000 nan 4.320 nan 0.000 0.244 817 A C 0.000 177.547 177.584 -0.062 0.000 1.274 817 A CA 0.000 52.002 52.037 -0.058 0.000 0.836 817 A CB 0.000 18.960 19.000 -0.067 0.000 0.831 818 E N 0.411 120.586 120.200 -0.042 0.000 2.511 818 E HA 0.062 4.414 4.350 0.002 0.000 0.209 818 E C 0.729 177.316 176.600 -0.023 0.000 0.986 818 E CA -0.102 56.278 56.400 -0.033 0.000 0.974 818 E CB 0.108 29.797 29.700 -0.019 0.000 1.030 818 E HN 0.674 nan 8.360 nan 0.000 0.490 819 R N 0.998 121.482 120.500 -0.027 0.000 2.357 819 R HA 0.157 4.498 4.340 0.002 0.000 0.202 819 R C 0.808 177.097 176.300 -0.017 0.000 1.047 819 R CA 0.195 56.285 56.100 -0.016 0.000 1.034 819 R CB -0.374 29.914 30.300 -0.020 0.000 0.875 819 R HN 0.133 nan 8.270 nan 0.000 0.473 820 L N 2.652 123.853 121.223 -0.036 0.000 2.483 820 L HA 0.117 4.459 4.340 0.002 0.000 0.275 820 L C -1.699 175.195 176.870 0.040 0.000 1.220 820 L CA -1.669 53.154 54.840 -0.029 0.000 0.833 820 L CB 0.013 42.034 42.059 -0.063 0.000 1.102 820 L HN -0.057 nan 8.230 nan 0.000 0.490 821 P HA 0.097 nan 4.420 nan 0.000 0.286 821 P C -1.655 175.747 177.300 0.169 0.000 1.261 821 P CA -0.338 62.827 63.100 0.108 0.000 0.821 821 P CB 1.010 32.764 31.700 0.090 0.000 1.013 822 Y N 1.888 122.229 120.300 0.067 0.000 2.388 822 Y HA 0.275 4.827 4.550 0.003 0.000 0.328 822 Y C -0.426 175.557 175.900 0.139 0.000 0.963 822 Y CA -0.968 57.186 58.100 0.090 0.000 1.240 822 Y CB 0.701 39.197 38.460 0.060 0.000 1.118 822 Y HN 0.238 nan 8.280 nan 0.000 0.484 823 D N 5.323 125.496 120.400 -0.377 0.000 2.422 823 D HA 0.247 4.889 4.640 0.002 0.000 0.227 823 D C 0.845 176.828 176.300 -0.528 0.000 1.190 823 D CA 0.449 54.281 54.000 -0.280 0.000 0.905 823 D CB 1.266 42.038 40.800 -0.047 0.000 1.034 823 D HN 0.818 nan 8.370 nan 0.000 0.507 824 A N 2.940 125.459 122.820 -0.502 0.000 1.908 824 A HA -0.164 4.157 4.320 0.002 0.000 0.218 824 A C 2.254 179.786 177.584 -0.087 0.000 1.181 824 A CA 1.369 53.257 52.037 -0.250 0.000 0.627 824 A CB -0.233 18.802 19.000 0.060 0.000 0.818 824 A HN 0.547 nan 8.150 nan 0.000 0.445 825 S N -0.668 114.977 115.700 -0.091 0.000 2.400 825 S HA -0.173 4.298 4.470 0.002 0.000 0.232 825 S C 1.966 176.492 174.600 -0.124 0.000 1.025 825 S CA 1.764 59.919 58.200 -0.074 0.000 0.993 825 S CB -0.173 62.985 63.200 -0.070 0.000 0.808 825 S HN 0.727 nan 8.310 nan 0.000 0.478 826 K N -0.558 119.711 120.400 -0.219 0.000 2.128 826 K HA -0.006 4.316 4.320 0.002 0.000 0.202 826 K C 1.426 177.723 176.600 -0.504 0.000 1.050 826 K CA 0.771 56.799 56.287 -0.431 0.000 0.966 826 K CB -0.059 32.062 32.500 -0.631 0.000 0.759 826 K HN 0.414 nan 8.250 nan 0.000 0.454 827 W N 1.411 122.674 121.300 -0.061 0.000 2.872 827 W HA 0.206 4.867 4.660 0.002 0.000 0.266 827 W C 0.221 176.837 176.519 0.162 0.000 1.276 827 W CA -0.734 56.639 57.345 0.046 0.000 1.471 827 W CB 0.255 29.762 29.460 0.079 0.000 1.071 827 W HN 0.017 nan 8.180 nan 0.000 0.619 828 E N 1.206 121.625 120.200 0.365 0.000 2.452 828 E HA 0.040 4.392 4.350 0.002 0.000 0.261 828 E C -1.149 175.655 176.600 0.340 0.000 0.987 828 E CA 0.243 56.859 56.400 0.359 0.000 0.926 828 E CB 0.112 29.973 29.700 0.268 0.000 0.934 828 E HN -0.049 nan 8.360 nan 0.000 0.452 829 F N 5.481 125.519 119.950 0.146 0.000 2.547 829 F HA 0.484 5.012 4.527 0.002 0.000 0.316 829 F C -2.346 173.503 175.800 0.081 0.000 1.121 829 F CA -2.776 55.286 58.000 0.103 0.000 0.911 829 F CB 1.728 40.793 39.000 0.108 0.000 1.179 829 F HN 0.381 nan 8.300 nan 0.000 0.443 830 P HA 0.223 nan 4.420 nan 0.000 0.267 830 P C 0.246 177.382 177.300 -0.274 0.000 1.209 830 P CA 0.053 62.954 63.100 -0.333 0.000 0.763 830 P CB 0.658 32.135 31.700 -0.372 0.000 0.816 831 R N 2.501 122.958 120.500 -0.071 0.000 2.117 831 R HA -0.163 4.178 4.340 0.002 0.000 0.243 831 R C 1.016 177.307 176.300 -0.014 0.000 1.143 831 R CA 1.834 57.938 56.100 0.006 0.000 0.968 831 R CB -0.502 29.811 30.300 0.021 0.000 0.863 831 R HN 0.621 nan 8.270 nan 0.000 0.444 832 D N -0.233 120.127 120.400 -0.067 0.000 2.323 832 D HA -0.066 4.576 4.640 0.002 0.000 0.239 832 D C 1.019 177.272 176.300 -0.079 0.000 1.129 832 D CA 0.266 54.230 54.000 -0.060 0.000 0.865 832 D CB 0.123 40.881 40.800 -0.070 0.000 0.913 832 D HN -0.088 nan 8.370 nan 0.000 0.517 833 R N -0.196 120.250 120.500 -0.091 0.000 2.362 833 R HA 0.360 4.701 4.340 0.002 0.000 0.227 833 R C 0.015 176.520 176.300 0.343 0.000 0.905 833 R CA -0.184 55.910 56.100 -0.010 0.000 1.067 833 R CB 0.433 30.506 30.300 -0.379 0.000 1.078 833 R HN 0.282 nan 8.270 nan 0.000 0.516 834 L N 0.795 122.180 121.223 0.270 0.000 2.334 834 L HA 0.458 4.799 4.340 0.002 0.000 0.273 834 L C -0.070 176.924 176.870 0.207 0.000 1.013 834 L CA -0.661 54.364 54.840 0.308 0.000 0.816 834 L CB 1.953 44.164 42.059 0.255 0.000 1.278 834 L HN -0.282 nan 8.230 nan 0.000 0.431 835 K N 4.194 124.718 120.400 0.206 0.000 2.575 835 K HA 0.446 4.768 4.320 0.002 0.000 0.236 835 K C -1.063 175.583 176.600 0.076 0.000 0.976 835 K CA -0.553 55.818 56.287 0.140 0.000 0.985 835 K CB 1.630 34.248 32.500 0.197 0.000 1.198 835 K HN 0.455 nan 8.250 nan 0.000 0.464 836 L N 2.020 123.273 121.223 0.051 0.000 2.525 836 L HA 0.070 4.412 4.340 0.002 0.000 0.278 836 L C 1.096 177.969 176.870 0.006 0.000 1.218 836 L CA 0.199 55.053 54.840 0.022 0.000 0.878 836 L CB 0.189 42.262 42.059 0.023 0.000 1.127 836 L HN 0.762 nan 8.230 nan 0.000 0.492 837 G N 2.824 111.612 108.800 -0.018 0.000 3.039 837 G HA2 0.404 4.365 3.960 0.002 0.000 0.159 837 G HA3 0.404 4.365 3.960 0.002 0.000 0.159 837 G C -0.813 174.078 174.900 -0.014 0.000 1.284 837 G CA -0.725 44.358 45.100 -0.027 0.000 0.996 837 G HN 0.647 nan 8.290 nan 0.000 0.592 838 K N 0.220 120.611 120.400 -0.015 0.000 2.202 838 K HA 0.421 4.742 4.320 0.002 0.000 0.264 838 K C -2.728 173.886 176.600 0.025 0.000 1.010 838 K CA -1.083 55.209 56.287 0.009 0.000 0.940 838 K CB 0.886 33.395 32.500 0.016 0.000 0.983 838 K HN 0.025 nan 8.250 nan 0.000 0.475 839 P HA 0.079 nan 4.420 nan 0.000 0.271 839 P C -0.728 176.628 177.300 0.094 0.000 1.216 839 P CA -0.066 63.070 63.100 0.060 0.000 0.776 839 P CB 0.573 32.302 31.700 0.049 0.000 0.881 848 V N 3.091 123.051 119.914 0.078 0.000 2.409 848 V HA 0.628 4.750 4.120 0.002 0.000 0.291 848 V C -0.291 175.846 176.094 0.072 0.000 1.020 848 V CA -0.389 61.949 62.300 0.063 0.000 0.848 848 V CB 1.125 32.999 31.823 0.086 0.000 0.990 848 V HN 0.690 nan 8.190 nan 0.000 0.430 849 I N 2.840 123.432 120.570 0.037 0.000 2.740 849 I HA 0.553 4.724 4.170 0.002 0.000 0.303 849 I C -0.001 176.115 176.117 -0.002 0.000 1.044 849 I CA -0.728 60.588 61.300 0.027 0.000 1.064 849 I CB 2.314 40.321 38.000 0.011 0.000 1.249 849 I HN 0.642 nan 8.210 nan 0.000 0.433 850 E N 3.042 123.217 120.200 -0.041 0.000 2.283 850 E HA 0.761 5.113 4.350 0.002 0.000 0.271 850 E C -1.250 175.248 176.600 -0.170 0.000 1.031 850 E CA -0.508 55.783 56.400 -0.182 0.000 0.868 850 E CB 1.714 31.232 29.700 -0.303 0.000 1.094 850 E HN 0.767 nan 8.360 nan 0.000 0.401 851 A N 3.340 126.027 122.820 -0.223 0.000 2.601 851 A HA 0.367 4.689 4.320 0.002 0.000 0.291 851 A C -1.772 175.722 177.584 -0.151 0.000 1.075 851 A CA -0.882 51.078 52.037 -0.129 0.000 0.671 851 A CB 1.517 20.491 19.000 -0.044 0.000 1.277 851 A HN 0.653 nan 8.150 nan 0.000 0.417 852 D N 1.123 121.477 120.400 -0.075 0.000 2.233 852 D HA 0.581 5.223 4.640 0.002 0.000 0.240 852 D C -0.205 176.060 176.300 -0.058 0.000 1.074 852 D CA 0.447 54.362 54.000 -0.141 0.000 0.838 852 D CB 1.779 42.505 40.800 -0.125 0.000 1.124 852 D HN 0.818 nan 8.370 nan 0.000 0.475 853 A N 2.800 125.520 122.820 -0.166 0.000 2.303 853 A HA 0.599 4.920 4.320 0.002 0.000 0.320 853 A C -0.992 176.554 177.584 -0.065 0.000 1.192 853 A CA -0.653 51.411 52.037 0.044 0.000 0.821 853 A CB 0.376 19.308 19.000 -0.113 0.000 1.188 853 A HN 0.374 nan 8.150 nan 0.000 0.492 854 F N 1.706 121.816 119.950 0.267 0.000 2.385 854 F HA 0.533 5.061 4.527 0.002 0.000 0.360 854 F C 1.370 177.327 175.800 0.262 0.000 1.122 854 F CA 0.393 58.504 58.000 0.184 0.000 1.090 854 F CB 1.624 40.683 39.000 0.098 0.000 1.150 854 F HN 0.997 nan 8.300 nan 0.000 0.472 855 G N 2.954 111.923 108.800 0.283 0.000 2.148 855 G HA2 -0.345 3.617 3.960 0.002 0.000 0.254 855 G HA3 -0.345 3.617 3.960 0.002 0.000 0.254 855 G C 1.071 176.158 174.900 0.312 0.000 0.981 855 G CA 0.446 45.695 45.100 0.248 0.000 0.670 855 G HN 0.755 nan 8.290 nan 0.000 0.528 856 I N -0.378 120.345 120.570 0.254 0.000 2.614 856 I HA 0.093 4.265 4.170 0.002 0.000 0.258 856 I C 0.266 176.377 176.117 -0.010 0.000 1.189 856 I CA 0.839 62.140 61.300 0.002 0.000 1.462 856 I CB 0.104 37.757 38.000 -0.578 0.000 1.092 856 I HN 0.099 nan 8.210 nan 0.000 0.442 857 D N 0.161 120.561 120.400 -0.000 0.000 2.248 857 D HA 0.180 4.821 4.640 0.002 0.000 0.246 857 D C 0.147 176.450 176.300 0.005 0.000 1.027 857 D CA -0.316 53.673 54.000 -0.017 0.000 0.853 857 D CB 1.965 42.742 40.800 -0.039 0.000 1.243 857 D HN -0.087 nan 8.370 nan 0.000 0.462 858 K N 0.214 120.608 120.400 -0.009 0.000 2.404 858 K HA 0.070 4.392 4.320 0.002 0.000 0.194 858 K C 0.859 177.453 176.600 -0.010 0.000 1.023 858 K CA 0.302 56.587 56.287 -0.004 0.000 1.094 858 K CB 0.380 32.871 32.500 -0.016 0.000 0.841 858 K HN 0.239 nan 8.250 nan 0.000 0.523 859 T N 0.141 114.685 114.554 -0.017 0.000 3.054 859 T HA 0.167 4.518 4.350 0.002 0.000 0.259 859 T C 0.340 175.031 174.700 -0.015 0.000 1.092 859 T CA 0.693 62.781 62.100 -0.021 0.000 1.121 859 T CB 0.382 69.232 68.868 -0.030 0.000 0.912 859 T HN 0.331 nan 8.240 nan 0.000 0.489 860 A N 0.510 123.323 122.820 -0.011 0.000 2.791 860 A HA 0.609 4.931 4.320 0.002 0.000 0.309 860 A C 0.950 178.538 177.584 0.007 0.000 1.200 860 A CA 0.195 52.227 52.037 -0.009 0.000 0.635 860 A CB 0.016 19.000 19.000 -0.028 0.000 1.393 860 A HN 0.117 nan 8.150 nan 0.000 0.557 861 T N -3.633 110.924 114.554 0.005 0.000 2.987 861 T HA 0.324 4.676 4.350 0.002 0.000 0.248 861 T C 0.416 175.099 174.700 -0.028 0.000 0.997 861 T CA 0.789 62.918 62.100 0.049 0.000 1.013 861 T CB -0.356 68.568 68.868 0.094 0.000 1.077 861 T HN 1.417 nan 8.240 nan 0.000 0.483 862 C N 2.395 121.599 119.300 -0.161 0.000 2.397 862 C HA 0.814 5.275 4.460 0.002 0.000 0.325 862 C C -0.693 174.117 174.990 -0.300 0.000 1.201 862 C CA -0.896 57.853 59.018 -0.449 0.000 1.377 862 C CB 0.557 27.929 27.740 -0.613 0.000 2.038 862 C HN 0.676 nan 8.230 nan 0.000 0.457 863 R N 4.107 124.427 120.500 -0.300 0.000 2.628 863 R HA 0.575 4.916 4.340 0.002 0.000 0.288 863 R C -0.645 175.532 176.300 -0.206 0.000 0.980 863 R CA -0.166 55.817 56.100 -0.195 0.000 0.891 863 R CB 1.768 31.986 30.300 -0.136 0.000 1.188 863 R HN 0.739 nan 8.270 nan 0.000 0.450 864 T N 3.391 117.845 114.554 -0.167 0.000 2.884 864 T HA 0.368 4.719 4.350 0.002 0.000 0.298 864 T C -0.114 174.495 174.700 -0.152 0.000 0.998 864 T CA -0.165 61.802 62.100 -0.221 0.000 1.124 864 T CB 0.913 69.623 68.868 -0.264 0.000 0.931 864 T HN 0.460 nan 8.240 nan 0.000 0.531 865 V N -0.572 119.220 119.914 -0.204 0.000 3.202 865 V HA 1.017 5.138 4.120 0.002 0.000 0.306 865 V C -0.924 175.119 176.094 -0.086 0.000 1.283 865 V CA -1.557 60.694 62.300 -0.082 0.000 1.065 865 V CB 1.618 33.376 31.823 -0.108 0.000 1.079 865 V HN 1.003 nan 8.190 nan 0.000 0.448 866 A N 0.540 123.369 122.820 0.015 0.000 2.350 866 A HA 0.949 5.270 4.320 0.002 0.000 0.324 866 A C -0.888 176.685 177.584 -0.019 0.000 1.118 866 A CA -0.741 51.313 52.037 0.029 0.000 0.783 866 A CB 1.798 20.858 19.000 0.100 0.000 1.236 866 A HN 1.566 nan 8.150 nan 0.000 0.457 867 V N 1.891 121.793 119.914 -0.020 0.000 2.638 867 V HA 0.465 4.586 4.120 0.002 0.000 0.306 867 V C -0.199 175.881 176.094 -0.024 0.000 1.052 867 V CA -0.718 61.568 62.300 -0.024 0.000 0.885 867 V CB 1.847 33.665 31.823 -0.009 0.000 0.999 867 V HN 0.915 nan 8.190 nan 0.000 0.424 868 K N 6.203 126.579 120.400 -0.041 0.000 2.307 868 K HA 0.822 5.143 4.320 0.002 0.000 0.263 868 K C -0.738 175.835 176.600 -0.046 0.000 0.973 868 K CA -0.541 55.720 56.287 -0.043 0.000 0.846 868 K CB 1.256 33.716 32.500 -0.068 0.000 1.100 868 K HN 0.859 nan 8.250 nan 0.000 0.438 869 M N 2.610 122.191 119.600 -0.033 0.000 2.593 869 M HA 0.434 4.915 4.480 0.002 0.000 0.290 869 M C -1.294 174.984 176.300 -0.037 0.000 1.244 869 M CA -1.135 54.142 55.300 -0.039 0.000 0.857 869 M CB 1.477 34.066 32.600 -0.018 0.000 1.738 869 M HN 0.304 nan 8.290 nan 0.000 0.461 870 L N 2.454 123.648 121.223 -0.048 0.000 2.380 870 L HA 0.371 4.713 4.340 0.002 0.000 0.273 870 L C 0.546 177.412 176.870 -0.007 0.000 1.138 870 L CA -0.275 54.546 54.840 -0.033 0.000 0.832 870 L CB 1.095 43.131 42.059 -0.040 0.000 1.124 870 L HN 0.809 nan 8.230 nan 0.000 0.454 871 K N 1.828 122.229 120.400 0.001 0.000 2.229 871 K HA -0.062 4.259 4.320 0.002 0.000 0.250 871 K C 0.869 177.477 176.600 0.013 0.000 1.016 871 K CA -0.268 56.024 56.287 0.009 0.000 0.866 871 K CB 0.575 33.081 32.500 0.011 0.000 1.028 871 K HN 0.505 nan 8.250 nan 0.000 0.514 872 E N 0.480 120.688 120.200 0.014 0.000 2.347 872 E HA -0.065 4.287 4.350 0.002 0.000 0.196 872 E C 1.443 178.054 176.600 0.019 0.000 1.008 872 E CA 1.003 57.413 56.400 0.017 0.000 0.852 872 E CB -0.070 29.638 29.700 0.014 0.000 0.783 872 E HN 0.802 nan 8.360 nan 0.000 0.505 873 G N 1.210 110.021 108.800 0.018 0.000 2.518 873 G HA2 0.098 4.060 3.960 0.002 0.000 0.213 873 G HA3 0.098 4.060 3.960 0.002 0.000 0.213 873 G C 0.324 175.240 174.900 0.027 0.000 1.226 873 G CA 0.627 45.739 45.100 0.020 0.000 0.822 873 G HN 0.389 nan 8.290 nan 0.000 0.546 874 A N -0.253 122.583 122.820 0.027 0.000 1.510 874 A HA 0.008 4.329 4.320 0.002 0.000 0.308 874 A C 0.686 178.299 177.584 0.049 0.000 1.141 874 A CA 1.007 53.065 52.037 0.035 0.000 1.400 874 A CB -1.507 17.516 19.000 0.038 0.000 0.751 874 A HN 0.734 nan 8.150 nan 0.000 0.167 875 T N 3.182 117.766 114.554 0.051 0.000 2.766 875 T HA 0.274 4.626 4.350 0.002 0.000 0.295 875 T C 1.593 176.355 174.700 0.103 0.000 1.024 875 T CA 0.439 62.582 62.100 0.072 0.000 1.018 875 T CB 0.518 69.425 68.868 0.065 0.000 1.002 875 T HN 0.919 nan 8.240 nan 0.000 0.532 876 H N 1.124 120.203 119.070 0.015 0.000 2.389 876 H HA -0.079 4.478 4.556 0.002 0.000 0.299 876 H C 2.104 177.452 175.328 0.034 0.000 1.081 876 H CA 2.089 58.140 56.048 0.005 0.000 1.345 876 H CB -0.331 29.415 29.762 -0.027 0.000 1.393 876 H HN 0.587 nan 8.280 nan 0.000 0.520 877 S N 0.112 115.956 115.700 0.240 0.000 2.428 877 S HA -0.077 4.395 4.470 0.002 0.000 0.230 877 S C 1.848 176.473 174.600 0.043 0.000 1.014 877 S CA 0.867 59.159 58.200 0.155 0.000 0.957 877 S CB -0.150 63.130 63.200 0.134 0.000 0.784 877 S HN 0.539 nan 8.310 nan 0.000 0.499 878 E N 0.401 120.625 120.200 0.041 0.000 2.152 878 E HA -0.150 4.202 4.350 0.002 0.000 0.192 878 E C 2.074 178.669 176.600 -0.009 0.000 0.983 878 E CA 1.024 57.431 56.400 0.012 0.000 0.818 878 E CB -0.300 29.411 29.700 0.018 0.000 0.758 878 E HN 0.648 nan 8.360 nan 0.000 0.467 879 H N 1.641 120.644 119.070 -0.113 0.000 2.299 879 H HA -0.020 4.537 4.556 0.002 0.000 0.302 879 H C 2.137 177.365 175.328 -0.167 0.000 1.078 879 H CA 1.591 57.551 56.048 -0.146 0.000 1.323 879 H CB 0.102 29.748 29.762 -0.194 0.000 1.381 879 H HN -0.013 nan 8.280 nan 0.000 0.498 880 R N 0.190 120.699 120.500 0.016 0.000 2.127 880 R HA -0.125 4.216 4.340 0.002 0.000 0.238 880 R C 2.467 178.736 176.300 -0.052 0.000 1.134 880 R CA 1.291 57.378 56.100 -0.022 0.000 0.975 880 R CB -0.193 30.071 30.300 -0.059 0.000 0.865 880 R HN 0.377 nan 8.270 nan 0.000 0.447 881 A N 0.660 123.446 122.820 -0.058 0.000 1.855 881 A HA -0.156 4.165 4.320 0.002 0.000 0.215 881 A C 1.960 179.483 177.584 -0.102 0.000 1.191 881 A CA 1.089 53.085 52.037 -0.068 0.000 0.613 881 A CB -0.614 18.355 19.000 -0.052 0.000 0.829 881 A HN 0.339 nan 8.150 nan 0.000 0.442 882 L N -1.019 120.121 121.223 -0.138 0.000 2.083 882 L HA -0.120 4.222 4.340 0.002 0.000 0.209 882 L C 2.318 179.072 176.870 -0.193 0.000 1.083 882 L CA 1.830 56.568 54.840 -0.169 0.000 0.752 882 L CB -0.548 41.385 42.059 -0.209 0.000 0.899 882 L HN 0.294 nan 8.230 nan 0.000 0.433 883 M N -1.204 118.265 119.600 -0.219 0.000 2.117 883 M HA -0.144 4.338 4.480 0.002 0.000 0.262 883 M C 2.323 178.543 176.300 -0.133 0.000 1.065 883 M CA 1.532 56.714 55.300 -0.197 0.000 1.114 883 M CB -1.021 31.491 32.600 -0.146 0.000 1.361 883 M HN 0.284 nan 8.290 nan 0.000 0.408 884 S N -0.121 115.518 115.700 -0.102 0.000 2.423 884 S HA -0.144 4.327 4.470 0.002 0.000 0.231 884 S C 1.769 176.314 174.600 -0.091 0.000 1.014 884 S CA 1.053 59.204 58.200 -0.082 0.000 0.965 884 S CB -0.175 62.984 63.200 -0.068 0.000 0.785 884 S HN 0.510 nan 8.310 nan 0.000 0.495 885 E N 0.879 121.015 120.200 -0.106 0.000 2.072 885 E HA -0.130 4.222 4.350 0.002 0.000 0.190 885 E C 2.091 178.620 176.600 -0.118 0.000 0.982 885 E CA 0.791 57.126 56.400 -0.110 0.000 0.803 885 E CB -0.144 29.487 29.700 -0.115 0.000 0.755 885 E HN 0.348 nan 8.360 nan 0.000 0.453 886 L N 1.645 122.785 121.223 -0.137 0.000 2.012 886 L HA -0.197 4.145 4.340 0.002 0.000 0.210 886 L C 1.927 178.715 176.870 -0.136 0.000 1.073 886 L CA 1.982 56.728 54.840 -0.158 0.000 0.748 886 L CB -0.367 41.580 42.059 -0.187 0.000 0.891 886 L HN -0.030 nan 8.230 nan 0.000 0.431 887 K N -0.415 119.932 120.400 -0.087 0.000 2.097 887 K HA -0.110 4.211 4.320 0.002 0.000 0.206 887 K C 2.136 178.721 176.600 -0.026 0.000 1.049 887 K CA 1.802 58.069 56.287 -0.033 0.000 0.933 887 K CB -0.289 32.203 32.500 -0.013 0.000 0.717 887 K HN 0.405 nan 8.250 nan 0.000 0.442 888 I N 1.152 121.694 120.570 -0.047 0.000 2.315 888 I HA -0.271 3.900 4.170 0.002 0.000 0.248 888 I C 2.147 178.257 176.117 -0.011 0.000 1.117 888 I CA 1.153 62.443 61.300 -0.017 0.000 1.404 888 I CB -0.265 37.706 38.000 -0.049 0.000 1.071 888 I HN 0.153 nan 8.210 nan 0.000 0.419 889 L N 0.370 121.547 121.223 -0.076 0.000 2.046 889 L HA -0.220 4.122 4.340 0.002 0.000 0.208 889 L C 2.505 179.297 176.870 -0.130 0.000 1.077 889 L CA 1.449 56.229 54.840 -0.101 0.000 0.747 889 L CB -0.398 41.565 42.059 -0.161 0.000 0.896 889 L HN 0.198 nan 8.230 nan 0.000 0.432 890 I N -0.955 119.495 120.570 -0.200 0.000 2.142 890 I HA -0.339 3.832 4.170 0.002 0.000 0.240 890 I C 2.640 178.776 176.117 0.031 0.000 1.078 890 I CA 1.432 62.602 61.300 -0.215 0.000 1.343 890 I CB -0.384 37.478 38.000 -0.230 0.000 1.046 890 I HN 0.271 nan 8.210 nan 0.000 0.405 891 H N 1.327 120.381 119.070 -0.025 0.000 2.290 891 H HA -0.190 4.367 4.556 0.002 0.000 0.298 891 H C 2.159 177.494 175.328 0.011 0.000 1.087 891 H CA 2.190 58.243 56.048 0.007 0.000 1.291 891 H CB -0.220 29.533 29.762 -0.015 0.000 1.369 891 H HN 0.205 nan 8.280 nan 0.000 0.492 892 I N -0.273 120.288 120.570 -0.014 0.000 2.151 892 I HA -0.182 3.989 4.170 0.002 0.000 0.243 892 I C 1.581 177.714 176.117 0.027 0.000 1.080 892 I CA 1.233 62.478 61.300 -0.092 0.000 1.339 892 I CB -0.741 37.240 38.000 -0.031 0.000 1.039 892 I HN 0.680 nan 8.210 nan 0.000 0.409 893 G N -0.675 108.213 108.800 0.147 0.000 2.566 893 G HA2 -0.231 3.730 3.960 0.002 0.000 0.599 893 G HA3 -0.231 3.730 3.960 0.002 0.000 0.599 893 G C -0.650 174.472 174.900 0.371 0.000 1.292 893 G CA -0.231 45.030 45.100 0.268 0.000 0.922 893 G HN 0.553 nan 8.290 nan 0.000 0.514 894 H N 0.548 119.738 119.070 0.199 0.000 2.525 894 H HA 0.741 5.299 4.556 0.002 0.000 0.339 894 H C -0.081 175.150 175.328 -0.163 0.000 1.109 894 H CA 0.258 56.341 56.048 0.058 0.000 1.352 894 H CB 0.866 30.648 29.762 0.033 0.000 1.461 894 H HN 0.815 nan 8.280 nan 0.000 0.533 895 H N 5.234 123.631 119.070 -1.122 0.000 3.026 895 H HA 0.036 4.594 4.556 0.002 0.000 0.352 895 H C -0.029 174.762 175.328 -0.895 0.000 1.090 895 H CA -0.693 54.632 56.048 -1.205 0.000 1.268 895 H CB 1.430 30.191 29.762 -1.668 0.000 1.816 895 H HN 0.694 nan 8.280 nan 0.000 0.518 896 L N 4.403 125.031 121.223 -0.993 0.000 2.189 896 L HA -0.121 4.221 4.340 0.002 0.000 0.214 896 L C 0.482 177.242 176.870 -0.185 0.000 1.097 896 L CA 1.989 56.557 54.840 -0.454 0.000 0.764 896 L CB -0.496 41.343 42.059 -0.366 0.000 0.900 896 L HN 0.595 nan 8.230 nan 0.000 0.436 897 N N -1.896 116.817 118.700 0.023 0.000 2.276 897 N HA 0.189 4.930 4.740 0.002 0.000 0.212 897 N C -0.998 174.525 175.510 0.021 0.000 1.127 897 N CA -0.211 52.876 53.050 0.063 0.000 0.834 897 N CB 0.777 39.317 38.487 0.089 0.000 1.014 897 N HN 0.040 nan 8.380 nan 0.000 0.491 898 V N 0.898 120.806 119.914 -0.010 0.000 2.709 898 V HA 0.233 4.354 4.120 0.002 0.000 0.308 898 V C 0.146 176.234 176.094 -0.010 0.000 1.062 898 V CA -1.026 61.275 62.300 0.001 0.000 0.901 898 V CB 2.389 34.237 31.823 0.043 0.000 1.003 898 V HN -0.194 nan 8.190 nan 0.000 0.425 899 V N 4.692 124.600 119.914 -0.010 0.000 2.539 899 V HA -0.041 4.080 4.120 0.002 0.000 0.300 899 V C 0.551 176.649 176.094 0.005 0.000 1.019 899 V CA 0.438 62.726 62.300 -0.021 0.000 1.160 899 V CB -0.285 31.505 31.823 -0.054 0.000 0.901 899 V HN 0.942 nan 8.190 nan 0.000 0.481 900 N N 4.066 122.787 118.700 0.036 0.000 2.479 900 N HA 0.460 5.201 4.740 0.002 0.000 0.285 900 N C -0.457 175.085 175.510 0.054 0.000 1.075 900 N CA -0.807 52.297 53.050 0.091 0.000 0.967 900 N CB 1.354 39.967 38.487 0.210 0.000 1.137 900 N HN 0.594 nan 8.380 nan 0.000 0.472 901 L N 2.930 124.172 121.223 0.030 0.000 2.416 901 L HA 0.146 4.488 4.340 0.002 0.000 0.272 901 L C 0.135 177.074 176.870 0.115 0.000 1.161 901 L CA 0.505 55.326 54.840 -0.031 0.000 0.845 901 L CB 0.353 42.267 42.059 -0.243 0.000 1.119 901 L HN 0.684 nan 8.230 nan 0.000 0.464 902 L N 4.197 125.481 121.223 0.101 0.000 2.500 902 L HA 0.525 4.866 4.340 0.002 0.000 0.219 902 L C 0.975 177.996 176.870 0.252 0.000 1.057 902 L CA 0.405 55.336 54.840 0.153 0.000 0.854 902 L CB 0.018 42.065 42.059 -0.020 0.000 1.078 902 L HN 0.843 nan 8.230 nan 0.000 0.480 903 G N -0.567 108.345 108.800 0.186 0.000 2.427 903 G HA2 0.666 4.627 3.960 0.002 0.000 0.306 903 G HA3 0.666 4.627 3.960 0.002 0.000 0.306 903 G C -2.164 172.852 174.900 0.193 0.000 1.280 903 G CA 0.164 45.435 45.100 0.286 0.000 0.837 903 G HN 0.131 nan 8.290 nan 0.000 0.482 904 A N -1.913 121.071 122.820 0.274 0.000 2.597 904 A HA 0.620 4.941 4.320 0.002 0.000 0.292 904 A C -1.321 176.398 177.584 0.225 0.000 1.057 904 A CA -0.201 51.949 52.037 0.189 0.000 0.674 904 A CB 0.975 20.051 19.000 0.126 0.000 1.278 904 A HN 1.682 nan 8.150 nan 0.000 0.416 905 C N 1.888 121.264 119.300 0.125 0.000 2.291 905 C HA 0.669 5.130 4.460 0.002 0.000 0.322 905 C C 1.464 176.469 174.990 0.025 0.000 1.205 905 C CA 0.333 59.417 59.018 0.110 0.000 1.495 905 C CB -0.141 27.660 27.740 0.103 0.000 2.127 905 C HN 1.066 nan 8.230 nan 0.000 0.452 906 T N -1.086 113.481 114.554 0.020 0.000 2.980 906 T HA 0.175 4.526 4.350 0.002 0.000 0.252 906 T C 0.476 175.189 174.700 0.021 0.000 0.962 906 T CA -0.020 62.048 62.100 -0.052 0.000 0.932 906 T CB 0.034 68.749 68.868 -0.255 0.000 1.188 906 T HN 0.532 nan 8.240 nan 0.000 0.500 907 K N 2.545 122.983 120.400 0.064 0.000 2.319 907 K HA 0.365 4.687 4.320 0.002 0.000 0.265 907 K C -2.481 174.148 176.600 0.047 0.000 1.000 907 K CA -1.525 54.801 56.287 0.066 0.000 0.943 907 K CB 0.046 32.594 32.500 0.080 0.000 0.950 907 K HN 0.189 nan 8.250 nan 0.000 0.485 908 P HA -0.066 nan 4.420 nan 0.000 0.269 908 P C 0.451 177.766 177.300 0.024 0.000 1.211 908 P CA 0.624 63.741 63.100 0.028 0.000 0.781 908 P CB 0.454 32.166 31.700 0.021 0.000 0.877 909 G N -0.587 108.225 108.800 0.020 0.000 2.255 909 G HA2 0.147 4.109 3.960 0.002 0.000 0.196 909 G HA3 0.147 4.109 3.960 0.002 0.000 0.196 909 G C 0.218 175.128 174.900 0.016 0.000 0.998 909 G CA -0.118 44.991 45.100 0.015 0.000 0.656 909 G HN 0.981 nan 8.290 nan 0.000 0.490 910 G N -0.522 108.292 108.800 0.023 0.000 2.548 910 G HA2 0.757 4.718 3.960 0.002 0.000 0.301 910 G HA3 0.757 4.718 3.960 0.002 0.000 0.301 910 G C -3.112 171.806 174.900 0.030 0.000 1.349 910 G CA 0.139 45.253 45.100 0.023 0.000 0.792 910 G HN 0.457 nan 8.290 nan 0.000 0.481 911 P HA 0.377 nan 4.420 nan 0.000 0.274 911 P C -0.388 176.915 177.300 0.005 0.000 1.231 911 P CA -0.474 62.640 63.100 0.023 0.000 0.790 911 P CB 1.488 33.196 31.700 0.014 0.000 0.951 912 L N 2.998 124.204 121.223 -0.028 0.000 2.455 912 L HA 0.211 4.553 4.340 0.002 0.000 0.272 912 L C -0.188 176.627 176.870 -0.092 0.000 1.174 912 L CA 0.918 55.694 54.840 -0.107 0.000 0.869 912 L CB -0.657 41.207 42.059 -0.324 0.000 1.130 912 L HN 0.349 nan 8.230 nan 0.000 0.474 913 M N 5.173 124.733 119.600 -0.067 0.000 2.386 913 M HA 0.465 4.947 4.480 0.002 0.000 0.293 913 M C -1.316 174.957 176.300 -0.044 0.000 1.120 913 M CA -0.760 54.517 55.300 -0.039 0.000 0.909 913 M CB 2.336 34.944 32.600 0.014 0.000 1.661 913 M HN 0.251 nan 8.290 nan 0.000 0.452 914 V N 4.414 124.294 119.914 -0.058 0.000 2.409 914 V HA 0.550 4.672 4.120 0.002 0.000 0.291 914 V C -0.455 175.609 176.094 -0.051 0.000 1.020 914 V CA -0.550 61.710 62.300 -0.067 0.000 0.848 914 V CB 1.635 33.396 31.823 -0.103 0.000 0.990 914 V HN 0.693 nan 8.190 nan 0.000 0.430 915 I N 4.902 125.449 120.570 -0.040 0.000 2.377 915 I HA 0.695 4.867 4.170 0.002 0.000 0.293 915 I C 0.439 176.523 176.117 -0.054 0.000 0.987 915 I CA -0.158 61.110 61.300 -0.053 0.000 1.185 915 I CB 2.007 39.956 38.000 -0.085 0.000 1.341 915 I HN 0.762 nan 8.210 nan 0.000 0.455 916 T N 1.066 115.591 114.554 -0.048 0.000 2.831 916 T HA 0.457 4.809 4.350 0.002 0.000 0.287 916 T C -0.428 174.266 174.700 -0.010 0.000 1.070 916 T CA -0.992 61.089 62.100 -0.031 0.000 1.010 916 T CB 1.582 70.424 68.868 -0.043 0.000 1.264 916 T HN 0.668 nan 8.240 nan 0.000 0.532 917 E N 0.263 120.466 120.200 0.005 0.000 2.409 917 E HA 0.384 4.736 4.350 0.002 0.000 0.257 917 E C -1.164 175.482 176.600 0.077 0.000 1.150 917 E CA -0.837 55.579 56.400 0.027 0.000 0.942 917 E CB 0.361 30.069 29.700 0.014 0.000 0.979 917 E HN 0.480 nan 8.360 nan 0.000 0.447 918 F N 1.096 120.994 119.950 -0.086 0.000 2.443 918 F HA 0.386 4.915 4.527 0.002 0.000 0.335 918 F C -1.157 174.582 175.800 -0.101 0.000 1.104 918 F CA -1.511 56.433 58.000 -0.093 0.000 1.013 918 F CB 1.284 40.226 39.000 -0.096 0.000 1.136 918 F HN 0.497 nan 8.300 nan 0.000 0.470 919 C N 7.492 126.292 119.300 -0.833 0.000 2.294 919 C HA 0.277 4.739 4.460 0.002 0.000 0.319 919 C C 1.197 175.488 174.990 -1.165 0.000 1.164 919 C CA -0.951 57.639 59.018 -0.713 0.000 1.497 919 C CB -0.009 27.510 27.740 -0.368 0.000 2.061 919 C HN 0.985 nan 8.230 nan 0.000 0.438 920 K N 1.300 120.992 120.400 -1.181 0.000 2.209 920 K HA -0.083 4.238 4.320 0.002 0.000 0.204 920 K C 0.969 177.257 176.600 -0.520 0.000 1.048 920 K CA 1.774 57.512 56.287 -0.915 0.000 0.940 920 K CB -0.232 31.956 32.500 -0.519 0.000 0.729 920 K HN 0.622 nan 8.250 nan 0.000 0.451 921 F N 1.834 121.643 119.950 -0.234 0.000 2.661 921 F HA 0.104 4.633 4.527 0.002 0.000 0.298 921 F C 1.505 177.244 175.800 -0.101 0.000 1.137 921 F CA 0.370 58.286 58.000 -0.140 0.000 1.454 921 F CB 0.013 38.882 39.000 -0.218 0.000 1.103 921 F HN 0.393 nan 8.300 nan 0.000 0.577 922 G N 1.106 109.898 108.800 -0.014 0.000 2.681 922 G HA2 -0.312 3.649 3.960 0.002 0.000 0.220 922 G HA3 -0.312 3.649 3.960 0.002 0.000 0.220 922 G C -0.564 174.363 174.900 0.045 0.000 1.353 922 G CA -0.481 44.640 45.100 0.034 0.000 0.872 922 G HN 0.592 nan 8.290 nan 0.000 0.557 923 N N -0.296 118.456 118.700 0.086 0.000 2.492 923 N HA 0.341 5.083 4.740 0.002 0.000 0.260 923 N C 1.420 176.959 175.510 0.048 0.000 1.215 923 N CA 0.192 53.287 53.050 0.075 0.000 0.923 923 N CB 1.013 39.549 38.487 0.080 0.000 1.092 923 N HN 1.000 nan 8.380 nan 0.000 0.448 924 L N 2.330 123.557 121.223 0.006 0.000 2.042 924 L HA -0.153 4.188 4.340 0.002 0.000 0.210 924 L C 2.338 179.238 176.870 0.050 0.000 1.076 924 L CA 1.779 56.608 54.840 -0.018 0.000 0.749 924 L CB -1.349 40.656 42.059 -0.090 0.000 0.893 924 L HN 0.910 nan 8.230 nan 0.000 0.432 925 S N -1.541 114.192 115.700 0.055 0.000 2.359 925 S HA -0.258 4.214 4.470 0.002 0.000 0.222 925 S C 1.976 176.604 174.600 0.047 0.000 1.038 925 S CA 2.259 60.498 58.200 0.066 0.000 1.051 925 S CB -0.599 62.652 63.200 0.086 0.000 0.944 925 S HN 0.649 nan 8.310 nan 0.000 0.433 926 T N 0.343 114.927 114.554 0.050 0.000 2.759 926 T HA -0.122 4.229 4.350 0.002 0.000 0.269 926 T C 1.495 176.217 174.700 0.035 0.000 1.042 926 T CA 1.684 63.806 62.100 0.037 0.000 1.140 926 T CB -0.596 68.299 68.868 0.045 0.000 0.864 926 T HN 0.620 nan 8.240 nan 0.000 0.455 927 Y N 1.630 121.901 120.300 -0.049 0.000 2.181 927 Y HA -0.031 4.520 4.550 0.003 0.000 0.288 927 Y C 1.964 177.805 175.900 -0.097 0.000 1.146 927 Y CA 1.035 59.091 58.100 -0.074 0.000 1.164 927 Y CB -0.433 37.968 38.460 -0.099 0.000 0.982 927 Y HN 0.133 nan 8.280 nan 0.000 0.515 928 L N -0.402 120.775 121.223 -0.077 0.000 2.093 928 L HA -0.187 4.155 4.340 0.002 0.000 0.208 928 L C 2.576 179.299 176.870 -0.246 0.000 1.085 928 L CA 1.517 56.247 54.840 -0.184 0.000 0.755 928 L CB -0.518 41.484 42.059 -0.095 0.000 0.904 928 L HN 0.086 nan 8.230 nan 0.000 0.435 929 R N 0.568 120.973 120.500 -0.159 0.000 2.127 929 R HA -0.152 4.189 4.340 0.002 0.000 0.238 929 R C 2.376 178.572 176.300 -0.172 0.000 1.134 929 R CA 1.549 57.569 56.100 -0.134 0.000 0.975 929 R CB -0.175 30.087 30.300 -0.064 0.000 0.865 929 R HN 0.429 nan 8.270 nan 0.000 0.447 930 S N -0.928 114.634 115.700 -0.229 0.000 2.593 930 S HA 0.094 4.565 4.470 0.002 0.000 0.217 930 S C 0.735 175.144 174.600 -0.319 0.000 0.966 930 S CA 0.040 58.096 58.200 -0.240 0.000 0.914 930 S CB 0.305 63.371 63.200 -0.224 0.000 0.776 930 S HN 0.102 nan 8.310 nan 0.000 0.523 931 K N 1.035 121.203 120.400 -0.386 0.000 2.478 931 K HA 0.324 4.646 4.320 0.002 0.000 0.205 931 K C 1.054 177.456 176.600 -0.330 0.000 1.033 931 K CA -0.225 55.822 56.287 -0.399 0.000 1.091 931 K CB 0.131 32.339 32.500 -0.487 0.000 0.844 931 K HN 0.377 nan 8.250 nan 0.000 0.507 932 R N 0.610 120.948 120.500 -0.270 0.000 2.152 932 R HA -0.030 4.312 4.340 0.002 0.000 0.232 932 R C 0.862 177.083 176.300 -0.133 0.000 1.117 932 R CA 1.076 57.049 56.100 -0.211 0.000 0.981 932 R CB -0.101 30.116 30.300 -0.139 0.000 0.870 932 R HN 0.308 nan 8.270 nan 0.000 0.451 933 N N 0.283 118.882 118.700 -0.168 0.000 2.230 933 N HA 0.011 4.752 4.740 0.002 0.000 0.202 933 N C -0.476 174.848 175.510 -0.308 0.000 1.119 933 N CA 0.000 52.965 53.050 -0.142 0.000 0.851 933 N CB 0.616 39.043 38.487 -0.099 0.000 0.990 933 N HN 0.152 nan 8.380 nan 0.000 0.497 934 E N 0.903 120.802 120.200 -0.502 0.000 3.786 934 E HA 0.148 4.500 4.350 0.002 0.000 0.215 934 E C -1.561 174.472 176.600 -0.944 0.000 1.188 934 E CA -0.301 55.372 56.400 -1.211 0.000 1.248 934 E CB 0.546 29.674 29.700 -0.955 0.000 1.260 934 E HN 0.141 nan 8.360 nan 0.000 0.426 935 F N 1.297 120.879 119.950 -0.613 0.000 2.581 935 F HA 0.534 5.062 4.527 0.002 0.000 0.311 935 F C -1.386 174.435 175.800 0.034 0.000 1.113 935 F CA -0.937 56.932 58.000 -0.219 0.000 0.935 935 F CB 1.320 40.200 39.000 -0.200 0.000 1.232 935 F HN -0.100 nan 8.300 nan 0.000 0.445 936 V N 3.780 123.095 119.914 -0.999 0.000 2.971 936 V HA 0.583 4.705 4.120 0.002 0.000 0.309 936 V C -2.406 172.908 176.094 -1.301 0.000 1.130 936 V CA -1.677 60.110 62.300 -0.854 0.000 0.964 936 V CB 1.738 33.171 31.823 -0.651 0.000 1.029 936 V HN 0.588 nan 8.190 nan 0.000 0.427 937 P HA -0.029 nan 4.420 nan 0.000 0.218 937 P C -0.220 176.988 177.300 -0.153 0.000 1.149 937 P CA 1.756 64.671 63.100 -0.308 0.000 0.817 937 P CB -0.087 31.637 31.700 0.040 0.000 0.785 938 Y N -3.732 116.400 120.300 -0.280 0.000 2.702 938 Y HA 0.605 5.157 4.550 0.003 0.000 0.336 938 Y C -0.611 175.126 175.900 -0.271 0.000 1.203 938 Y CA -1.640 56.359 58.100 -0.168 0.000 1.072 938 Y CB 0.435 38.887 38.460 -0.013 0.000 1.327 938 Y HN -0.365 nan 8.280 nan 0.000 0.456 991 A N 1.909 124.698 122.820 -0.052 0.000 2.462 991 A HA 0.737 5.059 4.320 0.002 0.000 0.243 991 A C -1.777 175.799 177.584 -0.013 0.000 1.076 991 A CA -0.693 51.328 52.037 -0.028 0.000 0.773 991 A CB -0.395 18.558 19.000 -0.079 0.000 1.010 991 A HN 0.953 nan 8.150 nan 0.000 0.493 992 P HA 0.248 nan 4.420 nan 0.000 0.291 992 P C -0.017 177.178 177.300 -0.174 0.000 1.340 992 P CA -0.222 62.819 63.100 -0.099 0.000 0.799 992 P CB 1.220 32.845 31.700 -0.124 0.000 0.917 993 E N 1.803 121.981 120.200 -0.035 0.000 2.219 993 E HA -0.248 4.103 4.350 0.002 0.000 0.198 993 E C 1.049 177.555 176.600 -0.157 0.000 0.998 993 E CA 1.735 58.145 56.400 0.016 0.000 0.818 993 E CB -0.073 29.703 29.700 0.127 0.000 0.741 993 E HN 0.645 nan 8.360 nan 0.000 0.477 994 D N 0.361 120.650 120.400 -0.185 0.000 2.309 994 D HA -0.182 4.460 4.640 0.002 0.000 0.212 994 D C 1.657 177.751 176.300 -0.342 0.000 0.968 994 D CA 0.425 54.308 54.000 -0.194 0.000 0.882 994 D CB -0.141 40.581 40.800 -0.130 0.000 0.918 994 D HN 0.120 nan 8.370 nan 0.000 0.503 995 L N -0.656 120.200 121.223 -0.612 0.000 2.552 995 L HA 0.066 4.407 4.340 0.002 0.000 0.227 995 L C 0.133 176.370 176.870 -1.055 0.000 1.146 995 L CA 0.855 55.210 54.840 -0.808 0.000 0.858 995 L CB -0.395 41.072 42.059 -0.987 0.000 0.969 995 L HN 0.094 nan 8.230 nan 0.000 0.451 996 Y N -1.443 118.514 120.300 -0.571 0.000 2.672 996 Y HA 0.327 4.878 4.550 0.002 0.000 0.272 996 Y C 0.518 176.133 175.900 -0.475 0.000 1.055 996 Y CA -1.351 56.135 58.100 -1.024 0.000 1.151 996 Y CB -0.631 37.408 38.460 -0.702 0.000 1.190 996 Y HN -0.071 nan 8.280 nan 0.000 0.574 997 K N 2.288 122.586 120.400 -0.170 0.000 2.436 997 K HA -0.044 4.277 4.320 0.002 0.000 0.282 997 K C -0.205 176.498 176.600 0.172 0.000 1.044 997 K CA 0.801 57.102 56.287 0.022 0.000 1.028 997 K CB 0.093 32.596 32.500 0.005 0.000 0.919 997 K HN 0.448 nan 8.250 nan 0.000 0.474 998 D N 1.996 122.497 120.400 0.167 0.000 3.012 998 D HA -0.222 4.420 4.640 0.002 0.000 0.222 998 D C -0.428 175.997 176.300 0.208 0.000 1.167 998 D CA 0.964 55.064 54.000 0.167 0.000 0.854 998 D CB -1.266 39.609 40.800 0.124 0.000 1.107 998 D HN 0.280 nan 8.370 nan 0.000 0.421 999 F N 0.276 120.190 119.950 -0.060 0.000 2.380 999 F HA 0.388 4.916 4.527 0.003 0.000 0.325 999 F C 1.351 176.959 175.800 -0.319 0.000 1.136 999 F CA -0.502 57.421 58.000 -0.129 0.000 1.171 999 F CB 0.532 39.480 39.000 -0.085 0.000 1.230 999 F HN -0.189 nan 8.300 nan 0.000 0.554 1000 L N 1.482 122.570 121.223 -0.225 0.000 2.357 1000 L HA 0.507 4.848 4.340 0.002 0.000 0.273 1000 L C 0.240 176.935 176.870 -0.292 0.000 1.080 1000 L CA -0.379 54.225 54.840 -0.393 0.000 0.803 1000 L CB 1.462 43.461 42.059 -0.100 0.000 1.174 1000 L HN 0.767 nan 8.230 nan 0.000 0.443 1001 T N -1.765 112.695 114.554 -0.157 0.000 2.838 1001 T HA 0.377 4.729 4.350 0.002 0.000 0.292 1001 T C 0.908 175.716 174.700 0.179 0.000 1.113 1001 T CA -0.889 61.154 62.100 -0.096 0.000 1.008 1001 T CB 1.051 69.946 68.868 0.045 0.000 1.259 1001 T HN 0.403 nan 8.240 nan 0.000 0.520 1002 L N 0.301 121.637 121.223 0.187 0.000 2.127 1002 L HA -0.064 4.277 4.340 0.002 0.000 0.211 1002 L C 2.895 179.868 176.870 0.172 0.000 1.089 1002 L CA 2.012 57.017 54.840 0.275 0.000 0.757 1002 L CB -0.455 41.772 42.059 0.281 0.000 0.899 1002 L HN 0.932 nan 8.230 nan 0.000 0.434 1003 E N -0.448 119.825 120.200 0.120 0.000 2.077 1003 E HA -0.267 4.084 4.350 0.002 0.000 0.193 1003 E C 2.010 178.545 176.600 -0.108 0.000 0.989 1003 E CA 1.553 57.956 56.400 0.006 0.000 0.800 1003 E CB -0.003 29.671 29.700 -0.043 0.000 0.746 1003 E HN 0.510 nan 8.360 nan 0.000 0.452 1004 H N 0.455 119.423 119.070 -0.171 0.000 2.290 1004 H HA -0.115 4.443 4.556 0.003 0.000 0.298 1004 H C 2.130 177.044 175.328 -0.691 0.000 1.087 1004 H CA 1.889 57.667 56.048 -0.450 0.000 1.291 1004 H CB -0.276 29.284 29.762 -0.337 0.000 1.369 1004 H HN 0.164 nan 8.280 nan 0.000 0.492 1005 L N -0.142 120.941 121.223 -0.232 0.000 2.012 1005 L HA -0.173 4.168 4.340 0.002 0.000 0.210 1005 L C 2.256 179.050 176.870 -0.126 0.000 1.073 1005 L CA 1.339 55.982 54.840 -0.327 0.000 0.748 1005 L CB -0.529 41.184 42.059 -0.576 0.000 0.891 1005 L HN 0.289 nan 8.230 nan 0.000 0.431 1006 I N -0.886 119.742 120.570 0.097 0.000 2.394 1006 I HA -0.313 3.859 4.170 0.002 0.000 0.251 1006 I C 2.817 179.028 176.117 0.156 0.000 1.136 1006 I CA 0.854 62.298 61.300 0.241 0.000 1.425 1006 I CB -0.400 37.702 38.000 0.170 0.000 1.079 1006 I HN 0.428 nan 8.210 nan 0.000 0.425 1007 C N 0.485 119.789 119.300 0.007 0.000 2.440 1007 C HA -0.191 4.270 4.460 0.002 0.000 0.278 1007 C C 2.874 177.973 174.990 0.182 0.000 1.295 1007 C CA 0.633 59.688 59.018 0.062 0.000 1.738 1007 C CB -0.893 26.779 27.740 -0.112 0.000 1.987 1007 C HN 0.448 nan 8.230 nan 0.000 0.492 1008 Y N 1.414 121.799 120.300 0.143 0.000 2.242 1008 Y HA -0.071 4.480 4.550 0.002 0.000 0.291 1008 Y C 2.883 178.891 175.900 0.180 0.000 1.137 1008 Y CA 1.550 59.721 58.100 0.118 0.000 1.181 1008 Y CB -1.229 37.265 38.460 0.058 0.000 0.989 1008 Y HN 0.311 nan 8.280 nan 0.000 0.527 1009 S N -0.013 115.909 115.700 0.371 0.000 2.368 1009 S HA -0.174 4.298 4.470 0.002 0.000 0.224 1009 S C 1.861 176.772 174.600 0.520 0.000 1.029 1009 S CA 1.163 59.612 58.200 0.415 0.000 0.988 1009 S CB -0.743 62.707 63.200 0.417 0.000 0.838 1009 S HN 0.419 nan 8.310 nan 0.000 0.462 1010 F N 2.598 122.703 119.950 0.259 0.000 2.102 1010 F HA -0.139 4.390 4.527 0.002 0.000 0.298 1010 F C 2.344 178.252 175.800 0.180 0.000 1.105 1010 F CA 1.520 59.639 58.000 0.199 0.000 1.239 1010 F CB -0.887 38.186 39.000 0.122 0.000 0.991 1010 F HN 0.189 nan 8.300 nan 0.000 0.474 1011 Q N -0.405 119.452 119.800 0.094 0.000 2.084 1011 Q HA -0.165 4.177 4.340 0.002 0.000 0.202 1011 Q C 2.290 178.297 176.000 0.011 0.000 0.978 1011 Q CA 1.983 57.764 55.803 -0.037 0.000 0.844 1011 Q CB -0.528 28.260 28.738 0.083 0.000 0.898 1011 Q HN 0.341 nan 8.270 nan 0.000 0.426 1012 V N 0.914 120.919 119.914 0.152 0.000 2.515 1012 V HA -0.246 3.875 4.120 0.002 0.000 0.250 1012 V C 2.207 178.340 176.094 0.066 0.000 1.058 1012 V CA 1.679 64.080 62.300 0.167 0.000 1.064 1012 V CB -0.885 31.145 31.823 0.344 0.000 0.675 1012 V HN 0.380 nan 8.190 nan 0.000 0.461 1013 A N -0.301 122.582 122.820 0.106 0.000 1.930 1013 A HA -0.183 4.139 4.320 0.002 0.000 0.217 1013 A C 2.311 179.765 177.584 -0.218 0.000 1.175 1013 A CA 1.616 53.556 52.037 -0.162 0.000 0.627 1013 A CB -0.334 18.690 19.000 0.041 0.000 0.815 1013 A HN 0.526 nan 8.150 nan 0.000 0.443 1014 K N -0.748 119.527 120.400 -0.208 0.000 2.057 1014 K HA -0.062 4.260 4.320 0.002 0.000 0.206 1014 K C 2.146 178.550 176.600 -0.327 0.000 1.050 1014 K CA 0.964 57.111 56.287 -0.233 0.000 0.935 1014 K CB -0.389 31.953 32.500 -0.264 0.000 0.715 1014 K HN 0.453 nan 8.250 nan 0.000 0.439 1015 G N 1.300 109.912 108.800 -0.314 0.000 2.418 1015 G HA2 -0.232 3.729 3.960 0.002 0.000 0.217 1015 G HA3 -0.232 3.729 3.960 0.002 0.000 0.217 1015 G C 1.459 176.174 174.900 -0.307 0.000 1.158 1015 G CA 0.597 45.467 45.100 -0.383 0.000 0.771 1015 G HN 0.065 nan 8.290 nan 0.000 0.545 1016 M N 0.479 119.815 119.600 -0.441 0.000 2.229 1016 M HA 0.046 4.527 4.480 0.002 0.000 0.264 1016 M C 2.218 178.126 176.300 -0.654 0.000 1.063 1016 M CA 0.861 55.706 55.300 -0.757 0.000 1.114 1016 M CB -0.920 30.685 32.600 -1.658 0.000 1.387 1016 M HN 0.472 nan 8.290 nan 0.000 0.420 1017 E N -0.364 119.586 120.200 -0.418 0.000 2.153 1017 E HA -0.223 4.128 4.350 0.002 0.000 0.194 1017 E C 1.948 178.507 176.600 -0.069 0.000 0.988 1017 E CA 0.945 57.279 56.400 -0.110 0.000 0.811 1017 E CB -0.126 29.563 29.700 -0.019 0.000 0.746 1017 E HN 0.360 nan 8.360 nan 0.000 0.466 1018 F N 1.258 121.024 119.950 -0.306 0.000 2.102 1018 F HA -0.133 4.395 4.527 0.002 0.000 0.298 1018 F C 1.822 177.514 175.800 -0.180 0.000 1.105 1018 F CA 1.354 59.185 58.000 -0.283 0.000 1.239 1018 F CB -0.211 38.441 39.000 -0.581 0.000 0.991 1018 F HN -0.010 nan 8.300 nan 0.000 0.474 1019 L N -0.262 120.804 121.223 -0.262 0.000 2.072 1019 L HA -0.094 4.247 4.340 0.002 0.000 0.205 1019 L C 2.810 179.576 176.870 -0.174 0.000 1.079 1019 L CA 1.046 55.722 54.840 -0.273 0.000 0.752 1019 L CB -1.272 40.715 42.059 -0.120 0.000 0.906 1019 L HN 0.215 nan 8.230 nan 0.000 0.436 1020 A N -0.440 122.326 122.820 -0.090 0.000 1.902 1020 A HA -0.199 4.123 4.320 0.002 0.000 0.217 1020 A C 2.465 180.041 177.584 -0.013 0.000 1.181 1020 A CA 2.046 54.101 52.037 0.030 0.000 0.623 1020 A CB -0.633 18.487 19.000 0.201 0.000 0.818 1020 A HN 0.366 nan 8.150 nan 0.000 0.443 1021 S N -0.682 114.981 115.700 -0.062 0.000 2.440 1021 S HA -0.099 4.372 4.470 0.002 0.000 0.238 1021 S C 1.553 176.093 174.600 -0.101 0.000 1.010 1021 S CA 1.181 59.342 58.200 -0.065 0.000 0.972 1021 S CB -0.201 62.956 63.200 -0.071 0.000 0.774 1021 S HN 0.602 nan 8.310 nan 0.000 0.501 1022 R N 0.360 120.760 120.500 -0.166 0.000 2.552 1022 R HA 0.265 4.607 4.340 0.002 0.000 0.314 1022 R C -0.119 176.149 176.300 -0.053 0.000 1.041 1022 R CA -0.098 55.918 56.100 -0.140 0.000 1.076 1022 R CB 0.131 30.265 30.300 -0.276 0.000 1.290 1022 R HN 0.167 nan 8.270 nan 0.000 0.563 1023 K N -0.584 119.798 120.400 -0.030 0.000 3.160 1023 K HA -0.214 4.107 4.320 0.002 0.000 0.280 1023 K C -0.580 176.019 176.600 -0.001 0.000 1.154 1023 K CA 0.678 56.965 56.287 0.001 0.000 0.822 1023 K CB -1.896 30.610 32.500 0.010 0.000 1.239 1023 K HN 0.290 nan 8.250 nan 0.000 0.489 1024 C N 1.291 120.578 119.300 -0.022 0.000 2.255 1024 C HA 0.550 5.012 4.460 0.002 0.000 0.326 1024 C C 0.258 175.261 174.990 0.021 0.000 1.258 1024 C CA -0.820 58.184 59.018 -0.022 0.000 1.676 1024 C CB -0.321 27.380 27.740 -0.065 0.000 2.314 1024 C HN 0.310 nan 8.230 nan 0.000 0.509 1025 I N 7.242 127.837 120.570 0.042 0.000 2.330 1025 I HA 0.219 4.390 4.170 0.002 0.000 0.289 1025 I C 1.443 177.625 176.117 0.108 0.000 1.001 1025 I CA -0.408 60.959 61.300 0.112 0.000 1.193 1025 I CB 0.934 39.013 38.000 0.131 0.000 1.345 1025 I HN 0.794 nan 8.210 nan 0.000 0.461 1026 H N 6.990 126.121 119.070 0.103 0.000 2.293 1026 H HA -0.081 4.476 4.556 0.002 0.000 0.300 1026 H C 1.175 176.571 175.328 0.113 0.000 1.082 1026 H CA 2.151 58.255 56.048 0.094 0.000 1.308 1026 H CB 0.402 30.231 29.762 0.112 0.000 1.375 1026 H HN 0.620 nan 8.280 nan 0.000 0.495 1027 R N -1.080 119.663 120.500 0.403 0.000 3.785 1027 R HA -0.187 4.154 4.340 0.002 0.000 0.476 1027 R C -0.416 176.130 176.300 0.410 0.000 0.905 1027 R CA 1.275 57.615 56.100 0.401 0.000 1.412 1027 R CB -1.386 28.987 30.300 0.121 0.000 2.077 1027 R HN 0.359 nan 8.270 nan 0.000 0.504 1028 D N -0.006 120.691 120.400 0.494 0.000 3.256 1028 D HA 0.155 4.796 4.640 0.002 0.000 0.332 1028 D C -1.400 174.922 176.300 0.036 0.000 1.327 1028 D CA -0.418 53.750 54.000 0.280 0.000 0.735 1028 D CB 0.438 41.371 40.800 0.222 0.000 1.280 1028 D HN 0.032 nan 8.370 nan 0.000 0.572 1029 L N 1.704 122.917 121.223 -0.016 0.000 2.315 1029 L HA 0.752 5.093 4.340 0.002 0.000 0.283 1029 L C -0.493 176.397 176.870 0.033 0.000 1.089 1029 L CA 0.166 54.908 54.840 -0.163 0.000 0.833 1029 L CB 0.363 42.456 42.059 0.057 0.000 1.170 1029 L HN 0.269 nan 8.230 nan 0.000 0.442 1030 A N 3.877 126.648 122.820 -0.082 0.000 2.610 1030 A HA 0.714 5.036 4.320 0.002 0.000 0.291 1030 A C 0.545 178.148 177.584 0.031 0.000 1.086 1030 A CA -0.126 51.865 52.037 -0.076 0.000 0.677 1030 A CB 0.481 18.928 19.000 -0.922 0.000 1.278 1030 A HN 0.931 nan 8.150 nan 0.000 0.414 1031 A N 0.542 123.467 122.820 0.176 0.000 1.978 1031 A HA -0.155 4.166 4.320 0.002 0.000 0.220 1031 A C 1.932 179.549 177.584 0.054 0.000 1.170 1031 A CA 2.017 54.131 52.037 0.128 0.000 0.636 1031 A CB -0.644 18.466 19.000 0.183 0.000 0.810 1031 A HN 1.036 nan 8.150 nan 0.000 0.448 1032 R N -0.946 119.552 120.500 -0.003 0.000 2.241 1032 R HA -0.021 4.320 4.340 0.002 0.000 0.224 1032 R C 0.224 176.553 176.300 0.049 0.000 1.101 1032 R CA 1.446 57.529 56.100 -0.029 0.000 0.995 1032 R CB -0.430 29.790 30.300 -0.134 0.000 0.870 1032 R HN 0.306 nan 8.270 nan 0.000 0.463 1033 N N 0.658 119.387 118.700 0.048 0.000 2.321 1033 N HA 0.184 4.925 4.740 0.002 0.000 0.242 1033 N C -0.905 174.658 175.510 0.089 0.000 1.141 1033 N CA 0.040 53.174 53.050 0.140 0.000 0.864 1033 N CB 0.641 39.194 38.487 0.110 0.000 1.100 1033 N HN 0.121 nan 8.380 nan 0.000 0.510 1034 I N 1.493 122.102 120.570 0.065 0.000 2.433 1034 I HA 0.393 4.564 4.170 0.002 0.000 0.292 1034 I C 0.063 176.184 176.117 0.006 0.000 1.001 1034 I CA -0.636 60.679 61.300 0.026 0.000 1.119 1034 I CB 1.788 39.795 38.000 0.011 0.000 1.289 1034 I HN -0.223 nan 8.210 nan 0.000 0.438 1035 L N 5.672 126.879 121.223 -0.027 0.000 2.331 1035 L HA 0.523 4.865 4.340 0.002 0.000 0.275 1035 L C -0.560 176.241 176.870 -0.114 0.000 1.022 1035 L CA -1.004 53.801 54.840 -0.058 0.000 0.812 1035 L CB 2.184 44.197 42.059 -0.077 0.000 1.257 1035 L HN 0.318 nan 8.230 nan 0.000 0.435 1036 L N 1.667 122.809 121.223 -0.134 0.000 2.272 1036 L HA 0.503 4.845 4.340 0.002 0.000 0.289 1036 L C 0.007 176.866 176.870 -0.018 0.000 1.032 1036 L CA 0.694 55.432 54.840 -0.170 0.000 0.810 1036 L CB 1.524 43.357 42.059 -0.377 0.000 1.205 1036 L HN 0.610 nan 8.230 nan 0.000 0.422 1037 S N 2.087 117.789 115.700 0.003 0.000 2.667 1037 S HA 0.610 5.082 4.470 0.002 0.000 0.292 1037 S C -0.492 174.230 174.600 0.203 0.000 1.108 1037 S CA -0.587 57.623 58.200 0.017 0.000 0.992 1037 S CB 0.709 63.882 63.200 -0.045 0.000 1.269 1037 S HN 0.728 nan 8.310 nan 0.000 0.528 1038 E N 1.491 121.768 120.200 0.129 0.000 2.371 1038 E HA 0.352 4.704 4.350 0.002 0.000 0.257 1038 E C -0.229 176.452 176.600 0.136 0.000 1.134 1038 E CA -0.185 56.345 56.400 0.217 0.000 0.919 1038 E CB 0.219 29.988 29.700 0.115 0.000 1.025 1038 E HN 0.386 nan 8.360 nan 0.000 0.438 1039 K N 1.385 121.863 120.400 0.130 0.000 3.069 1039 K HA -0.289 4.032 4.320 0.002 0.000 0.267 1039 K C -0.880 175.775 176.600 0.092 0.000 1.082 1039 K CA 0.933 57.274 56.287 0.090 0.000 0.782 1039 K CB -2.364 30.173 32.500 0.062 0.000 1.230 1039 K HN 0.873 nan 8.250 nan 0.000 0.488 1040 N N -1.511 117.257 118.700 0.113 0.000 2.727 1040 N HA -0.201 4.540 4.740 0.002 0.000 0.249 1040 N C -0.592 175.031 175.510 0.189 0.000 1.048 1040 N CA 0.919 54.081 53.050 0.186 0.000 0.714 1040 N CB -0.561 38.059 38.487 0.221 0.000 0.959 1040 N HN 0.163 nan 8.380 nan 0.000 0.544 1041 V N 1.007 120.982 119.914 0.102 0.000 2.394 1041 V HA 0.501 4.622 4.120 0.002 0.000 0.282 1041 V C 0.552 176.661 176.094 0.024 0.000 1.031 1041 V CA -0.766 61.575 62.300 0.069 0.000 0.881 1041 V CB 1.504 33.346 31.823 0.030 0.000 0.982 1041 V HN 0.144 nan 8.190 nan 0.000 0.451 1042 V N 3.243 123.175 119.914 0.030 0.000 2.630 1042 V HA 0.743 4.865 4.120 0.002 0.000 0.305 1042 V C -0.477 175.608 176.094 -0.014 0.000 1.046 1042 V CA -0.958 61.321 62.300 -0.035 0.000 0.934 1042 V CB 1.639 33.427 31.823 -0.059 0.000 1.003 1042 V HN 0.820 nan 8.190 nan 0.000 0.451 1043 K N 3.546 123.927 120.400 -0.032 0.000 2.375 1043 K HA 0.669 4.990 4.320 0.002 0.000 0.249 1043 K C -1.171 175.427 176.600 -0.004 0.000 0.942 1043 K CA -0.717 55.559 56.287 -0.019 0.000 0.806 1043 K CB 2.803 35.282 32.500 -0.035 0.000 1.227 1043 K HN 0.673 nan 8.250 nan 0.000 0.430 1044 I N 2.864 123.444 120.570 0.016 0.000 2.416 1044 I HA 0.149 4.320 4.170 0.002 0.000 0.288 1044 I C 0.513 176.669 176.117 0.064 0.000 1.051 1044 I CA -0.439 60.892 61.300 0.052 0.000 1.375 1044 I CB 0.326 38.370 38.000 0.073 0.000 1.407 1044 I HN 0.734 nan 8.210 nan 0.000 0.516 1045 C N 3.639 122.990 119.300 0.085 0.000 3.119 1045 C HA 0.754 5.215 4.460 0.002 0.000 0.359 1045 C C -0.844 174.224 174.990 0.131 0.000 1.486 1045 C CA -0.533 58.499 59.018 0.024 0.000 1.556 1045 C CB 2.029 29.704 27.740 -0.109 0.000 2.063 1045 C HN 0.794 nan 8.230 nan 0.000 0.454 1046 D N -0.629 119.761 120.400 -0.016 0.000 2.318 1046 D HA 0.343 4.984 4.640 0.002 0.000 0.233 1046 D C -0.231 176.053 176.300 -0.028 0.000 1.348 1046 D CA -0.506 53.521 54.000 0.045 0.000 0.983 1046 D CB 0.360 41.104 40.800 -0.094 0.000 1.416 1046 D HN 0.484 nan 8.370 nan 0.000 0.558 1047 F N 1.350 121.310 119.950 0.016 0.000 2.583 1047 F HA 0.142 4.671 4.527 0.003 0.000 0.297 1047 F C 2.091 177.882 175.800 -0.015 0.000 1.131 1047 F CA 0.836 58.834 58.000 -0.002 0.000 1.467 1047 F CB 0.015 39.012 39.000 -0.004 0.000 1.097 1047 F HN 0.373 nan 8.300 nan 0.000 0.586 1068 P HA -0.166 nan 4.420 nan 0.000 0.222 1068 P C 1.339 178.857 177.300 0.364 0.000 1.142 1068 P CA 1.066 64.368 63.100 0.336 0.000 0.788 1068 P CB 0.517 32.304 31.700 0.145 0.000 0.767 1069 L N -0.484 120.859 121.223 0.199 0.000 2.201 1069 L HA -0.093 4.248 4.340 0.002 0.000 0.212 1069 L C 2.462 179.425 176.870 0.155 0.000 1.105 1069 L CA 1.325 56.238 54.840 0.121 0.000 0.775 1069 L CB -0.737 41.334 42.059 0.020 0.000 0.913 1069 L HN -0.012 nan 8.230 nan 0.000 0.440 1070 K N -0.880 119.587 120.400 0.112 0.000 2.442 1070 K HA -0.129 4.193 4.320 0.002 0.000 0.198 1070 K C 1.514 178.117 176.600 0.004 0.000 1.042 1070 K CA 0.856 57.105 56.287 -0.063 0.000 0.958 1070 K CB 0.042 32.318 32.500 -0.373 0.000 0.766 1070 K HN 0.454 nan 8.250 nan 0.000 0.474 1071 W N 0.279 121.727 121.300 0.246 0.000 3.103 1071 W HA 0.249 4.911 4.660 0.002 0.000 0.325 1071 W C 0.227 176.952 176.519 0.344 0.000 1.170 1071 W CA -0.426 57.116 57.345 0.328 0.000 1.712 1071 W CB 0.257 29.870 29.460 0.255 0.000 1.068 1071 W HN -0.027 nan 8.180 nan 0.000 0.592 1072 M N 0.736 120.546 119.600 0.351 0.000 2.211 1072 M HA 0.357 4.838 4.480 0.002 0.000 0.356 1072 M C 0.627 176.714 176.300 -0.355 0.000 1.216 1072 M CA -0.120 55.219 55.300 0.065 0.000 1.134 1072 M CB 1.169 33.764 32.600 -0.009 0.000 1.564 1072 M HN -0.260 nan 8.290 nan 0.000 0.463 1073 A N 4.710 127.157 122.820 -0.621 0.000 2.366 1073 A HA 0.335 4.657 4.320 0.002 0.000 0.249 1073 A C -1.860 175.243 177.584 -0.801 0.000 1.084 1073 A CA -1.299 49.963 52.037 -1.291 0.000 0.794 1073 A CB -0.321 18.296 19.000 -0.639 0.000 1.034 1073 A HN 0.628 nan 8.150 nan 0.000 0.491 1074 P HA -0.244 nan 4.420 nan 0.000 0.216 1074 P C 1.372 178.620 177.300 -0.088 0.000 1.157 1074 P CA 1.865 64.781 63.100 -0.308 0.000 0.880 1074 P CB 0.063 31.601 31.700 -0.269 0.000 0.791 1075 E N -1.012 119.096 120.200 -0.153 0.000 2.204 1075 E HA -0.133 4.219 4.350 0.002 0.000 0.195 1075 E C 1.387 177.906 176.600 -0.134 0.000 0.990 1075 E CA 1.586 57.940 56.400 -0.078 0.000 0.821 1075 E CB -1.617 28.041 29.700 -0.071 0.000 0.750 1075 E HN 0.193 nan 8.360 nan 0.000 0.477 1076 T N 1.706 116.103 114.554 -0.261 0.000 2.812 1076 T HA 0.063 4.415 4.350 0.002 0.000 0.264 1076 T C 2.101 176.624 174.700 -0.294 0.000 1.042 1076 T CA 1.025 62.893 62.100 -0.386 0.000 1.140 1076 T CB -0.100 68.432 68.868 -0.560 0.000 0.870 1076 T HN 0.137 nan 8.240 nan 0.000 0.445 1077 I N -0.071 120.323 120.570 -0.294 0.000 2.233 1077 I HA -0.066 4.106 4.170 0.002 0.000 0.243 1077 I C 1.807 177.661 176.117 -0.438 0.000 1.093 1077 I CA 1.481 62.551 61.300 -0.384 0.000 1.380 1077 I CB -0.242 37.428 38.000 -0.551 0.000 1.067 1077 I HN 0.181 nan 8.210 nan 0.000 0.413 1078 F N 0.325 120.198 119.950 -0.129 0.000 2.473 1078 F HA -0.048 4.481 4.527 0.003 0.000 0.294 1078 F C 1.685 177.443 175.800 -0.070 0.000 1.103 1078 F CA 0.752 58.696 58.000 -0.093 0.000 1.442 1078 F CB -0.077 38.861 39.000 -0.103 0.000 1.097 1078 F HN 0.052 nan 8.300 nan 0.000 0.547 1079 D N -0.809 119.631 120.400 0.067 0.000 2.474 1079 D HA 0.132 4.773 4.640 0.002 0.000 0.213 1079 D C 0.434 176.741 176.300 0.011 0.000 1.120 1079 D CA 0.070 54.092 54.000 0.037 0.000 0.836 1079 D CB 0.201 41.018 40.800 0.028 0.000 1.019 1079 D HN 0.012 nan 8.370 nan 0.000 0.507 1080 R N 0.150 120.631 120.500 -0.031 0.000 3.531 1080 R HA -0.118 4.224 4.340 0.002 0.000 0.280 1080 R C -0.833 175.500 176.300 0.055 0.000 1.130 1080 R CA 0.088 56.196 56.100 0.013 0.000 0.757 1080 R CB -2.030 28.318 30.300 0.081 0.000 1.218 1080 R HN 0.026 nan 8.270 nan 0.000 0.454 1081 V N 1.394 121.273 119.914 -0.058 0.000 2.394 1081 V HA 0.382 4.504 4.120 0.002 0.000 0.282 1081 V C -0.198 175.836 176.094 -0.101 0.000 1.031 1081 V CA -0.288 62.016 62.300 0.006 0.000 0.881 1081 V CB 1.207 33.027 31.823 -0.004 0.000 0.982 1081 V HN 0.082 nan 8.190 nan 0.000 0.451 1082 Y N 2.993 123.316 120.300 0.040 0.000 2.341 1082 Y HA 0.695 5.246 4.550 0.002 0.000 0.338 1082 Y C 0.547 176.487 175.900 0.067 0.000 0.965 1082 Y CA -0.456 57.680 58.100 0.061 0.000 1.108 1082 Y CB 2.299 40.796 38.460 0.062 0.000 1.180 1082 Y HN 0.794 nan 8.280 nan 0.000 0.458 1083 T N -1.441 113.235 114.554 0.203 0.000 2.731 1083 T HA 0.435 4.787 4.350 0.002 0.000 0.300 1083 T C 0.628 175.436 174.700 0.179 0.000 1.283 1083 T CA -0.782 61.414 62.100 0.159 0.000 1.005 1083 T CB 0.602 69.531 68.868 0.103 0.000 1.420 1083 T HN 0.454 nan 8.240 nan 0.000 0.503 1084 I N 0.711 121.374 120.570 0.155 0.000 2.208 1084 I HA -0.215 3.957 4.170 0.002 0.000 0.245 1084 I C 2.694 178.895 176.117 0.140 0.000 1.097 1084 I CA 1.508 62.923 61.300 0.192 0.000 1.363 1084 I CB -0.415 37.678 38.000 0.155 0.000 1.051 1084 I HN 0.632 nan 8.210 nan 0.000 0.413 1085 Q N 0.588 120.438 119.800 0.084 0.000 2.124 1085 Q HA -0.174 4.168 4.340 0.002 0.000 0.202 1085 Q C 2.425 178.513 176.000 0.146 0.000 0.977 1085 Q CA 2.063 57.901 55.803 0.059 0.000 0.850 1085 Q CB -0.462 28.307 28.738 0.051 0.000 0.901 1085 Q HN 0.614 nan 8.270 nan 0.000 0.429 1086 S N -0.014 115.783 115.700 0.161 0.000 2.447 1086 S HA -0.130 4.342 4.470 0.002 0.000 0.233 1086 S C 1.249 176.043 174.600 0.323 0.000 1.006 1086 S CA 1.156 59.472 58.200 0.194 0.000 0.957 1086 S CB -0.122 63.112 63.200 0.057 0.000 0.773 1086 S HN 0.189 nan 8.310 nan 0.000 0.507 1087 D N 1.265 121.865 120.400 0.333 0.000 2.224 1087 D HA 0.058 4.699 4.640 0.002 0.000 0.205 1087 D C 1.952 178.555 176.300 0.505 0.000 0.965 1087 D CA 0.498 54.770 54.000 0.454 0.000 0.852 1087 D CB -0.233 40.874 40.800 0.512 0.000 0.947 1087 D HN 0.316 nan 8.370 nan 0.000 0.494 1088 V N 0.719 120.777 119.914 0.241 0.000 2.427 1088 V HA -0.172 3.950 4.120 0.002 0.000 0.248 1088 V C 2.137 178.441 176.094 0.350 0.000 1.051 1088 V CA 1.092 63.420 62.300 0.047 0.000 1.048 1088 V CB -0.357 31.325 31.823 -0.234 0.000 0.666 1088 V HN 0.408 nan 8.190 nan 0.000 0.456 1089 W N 1.146 122.600 121.300 0.256 0.000 2.333 1089 W HA -0.216 4.445 4.660 0.002 0.000 0.316 1089 W C 2.497 179.308 176.519 0.486 0.000 1.215 1089 W CA 2.170 59.745 57.345 0.383 0.000 1.278 1089 W CB -0.679 28.959 29.460 0.296 0.000 1.154 1089 W HN 0.324 nan 8.180 nan 0.000 0.486 1090 S N 0.919 117.075 115.700 0.761 0.000 2.370 1090 S HA -0.258 4.214 4.470 0.002 0.000 0.226 1090 S C 1.581 176.541 174.600 0.600 0.000 1.033 1090 S CA 1.730 60.348 58.200 0.697 0.000 1.011 1090 S CB -1.160 62.403 63.200 0.606 0.000 0.852 1090 S HN 0.325 nan 8.310 nan 0.000 0.457 1091 F N 2.606 122.807 119.950 0.417 0.000 2.126 1091 F HA -0.093 4.436 4.527 0.003 0.000 0.299 1091 F C 2.288 178.255 175.800 0.278 0.000 1.096 1091 F CA 1.253 59.469 58.000 0.359 0.000 1.255 1091 F CB -1.034 38.219 39.000 0.421 0.000 0.997 1091 F HN 0.219 nan 8.300 nan 0.000 0.479 1092 G N -0.202 108.736 108.800 0.230 0.000 2.440 1092 G HA2 -0.235 3.726 3.960 0.002 0.000 0.218 1092 G HA3 -0.235 3.726 3.960 0.002 0.000 0.218 1092 G C 1.752 176.796 174.900 0.240 0.000 1.154 1092 G CA 1.287 46.328 45.100 -0.099 0.000 0.767 1092 G HN 0.347 nan 8.290 nan 0.000 0.552 1093 V N 0.750 120.988 119.914 0.539 0.000 2.407 1093 V HA -0.120 4.002 4.120 0.002 0.000 0.248 1093 V C 2.658 178.989 176.094 0.396 0.000 1.055 1093 V CA 1.541 64.108 62.300 0.445 0.000 1.049 1093 V CB -0.437 31.491 31.823 0.175 0.000 0.662 1093 V HN 0.361 nan 8.190 nan 0.000 0.455 1094 L N -0.251 121.175 121.223 0.338 0.000 2.046 1094 L HA -0.134 4.208 4.340 0.002 0.000 0.208 1094 L C 2.198 179.155 176.870 0.145 0.000 1.077 1094 L CA 1.821 56.815 54.840 0.257 0.000 0.747 1094 L CB -0.563 41.580 42.059 0.139 0.000 0.896 1094 L HN 0.190 nan 8.230 nan 0.000 0.432 1095 L N -1.919 119.300 121.223 -0.006 0.000 2.012 1095 L HA -0.276 4.065 4.340 0.002 0.000 0.210 1095 L C 2.448 179.506 176.870 0.314 0.000 1.073 1095 L CA 2.034 56.921 54.840 0.079 0.000 0.748 1095 L CB -0.838 41.164 42.059 -0.095 0.000 0.891 1095 L HN 0.512 nan 8.230 nan 0.000 0.431 1096 W N 1.298 122.692 121.300 0.156 0.000 2.335 1096 W HA -0.233 4.429 4.660 0.002 0.000 0.311 1096 W C 2.498 179.121 176.519 0.172 0.000 1.213 1096 W CA 1.896 59.363 57.345 0.203 0.000 1.274 1096 W CB -0.029 29.576 29.460 0.242 0.000 1.148 1096 W HN 0.111 nan 8.180 nan 0.000 0.498 1097 E N -0.091 120.380 120.200 0.450 0.000 2.085 1097 E HA -0.265 4.087 4.350 0.002 0.000 0.194 1097 E C 2.113 178.740 176.600 0.045 0.000 0.994 1097 E CA 1.875 58.449 56.400 0.291 0.000 0.801 1097 E CB -0.516 29.401 29.700 0.362 0.000 0.743 1097 E HN 0.381 nan 8.360 nan 0.000 0.453 1098 I N 0.036 120.631 120.570 0.041 0.000 2.226 1098 I HA -0.231 3.940 4.170 0.002 0.000 0.245 1098 I C 1.437 177.328 176.117 -0.376 0.000 1.100 1098 I CA 1.119 62.335 61.300 -0.140 0.000 1.374 1098 I CB -0.106 37.807 38.000 -0.144 0.000 1.057 1098 I HN 0.032 nan 8.210 nan 0.000 0.413 1099 F N 0.367 120.234 119.950 -0.137 0.000 2.693 1099 F HA 0.026 4.554 4.527 0.003 0.000 0.303 1099 F C 1.872 177.510 175.800 -0.270 0.000 1.143 1099 F CA 0.127 58.022 58.000 -0.175 0.000 1.389 1099 F CB -0.181 38.743 39.000 -0.127 0.000 1.060 1099 F HN 0.058 nan 8.300 nan 0.000 0.535 1100 S N -1.400 114.119 115.700 -0.301 0.000 2.733 1100 S HA 0.219 4.691 4.470 0.002 0.000 0.247 1100 S C 0.529 174.985 174.600 -0.240 0.000 1.043 1100 S CA -0.214 57.770 58.200 -0.360 0.000 1.066 1100 S CB -0.272 62.353 63.200 -0.958 0.000 1.045 1100 S HN 0.232 nan 8.310 nan 0.000 0.586 1101 L N 1.334 122.348 121.223 -0.349 0.000 3.601 1101 L HA -0.204 4.137 4.340 0.002 0.000 0.469 1101 L C 1.064 177.813 176.870 -0.202 0.000 1.294 1101 L CA 0.372 54.977 54.840 -0.392 0.000 0.829 1101 L CB -1.903 39.743 42.059 -0.688 0.000 1.628 1101 L HN 0.831 nan 8.230 nan 0.000 0.868 1102 G N -1.401 107.340 108.800 -0.099 0.000 2.132 1102 G HA2 -0.049 3.912 3.960 0.002 0.000 0.228 1102 G HA3 -0.049 3.912 3.960 0.002 0.000 0.228 1102 G C 0.430 175.368 174.900 0.064 0.000 1.000 1102 G CA 0.251 45.352 45.100 0.001 0.000 0.693 1102 G HN 1.314 nan 8.290 nan 0.000 0.515 1103 A N -0.313 122.554 122.820 0.079 0.000 2.296 1103 A HA 0.798 5.120 4.320 0.002 0.000 0.264 1103 A C 0.953 178.742 177.584 0.342 0.000 1.097 1103 A CA 0.845 52.992 52.037 0.184 0.000 0.811 1103 A CB 0.812 19.912 19.000 0.167 0.000 1.072 1103 A HN 1.596 nan 8.150 nan 0.000 0.495 1104 S N 1.581 117.453 115.700 0.286 0.000 2.452 1104 S HA 0.486 4.957 4.470 0.002 0.000 0.284 1104 S C -2.332 172.321 174.600 0.088 0.000 1.171 1104 S CA -1.614 56.711 58.200 0.207 0.000 1.064 1104 S CB 0.250 63.528 63.200 0.129 0.000 0.967 1104 S HN 0.524 nan 8.310 nan 0.000 0.484 1105 P HA 0.021 nan 4.420 nan 0.000 0.267 1105 P C -0.825 176.150 177.300 -0.542 0.000 1.200 1105 P CA 0.307 62.944 63.100 -0.772 0.000 0.772 1105 P CB -0.163 31.036 31.700 -0.835 0.000 0.855 1106 Y N -1.109 118.788 120.300 -0.672 0.000 3.057 1106 Y HA -0.158 4.394 4.550 0.002 0.000 0.192 1106 Y C -1.393 174.377 175.900 -0.216 0.000 1.448 1106 Y CA -0.204 57.672 58.100 -0.373 0.000 1.065 1106 Y CB -2.677 35.604 38.460 -0.298 0.000 1.369 1106 Y HN 0.417 nan 8.280 nan 0.000 0.460 1107 P HA 0.180 nan 4.420 nan 0.000 0.263 1107 P C 1.063 178.379 177.300 0.027 0.000 1.195 1107 P CA 1.577 64.688 63.100 0.019 0.000 0.762 1107 P CB 1.147 32.898 31.700 0.085 0.000 0.799 1108 G N 1.714 110.525 108.800 0.018 0.000 2.246 1108 G HA2 -0.156 3.806 3.960 0.002 0.000 0.273 1108 G HA3 -0.156 3.806 3.960 0.002 0.000 0.273 1108 G C -0.237 174.670 174.900 0.012 0.000 1.055 1108 G CA -0.138 44.971 45.100 0.015 0.000 0.851 1108 G HN 0.557 nan 8.290 nan 0.000 0.500 1109 V N 0.134 120.046 119.914 -0.004 0.000 2.531 1109 V HA 0.448 4.569 4.120 0.002 0.000 0.301 1109 V C 0.563 176.614 176.094 -0.071 0.000 1.034 1109 V CA -1.136 61.160 62.300 -0.007 0.000 0.865 1109 V CB 1.910 33.756 31.823 0.037 0.000 0.995 1109 V HN 0.443 nan 8.190 nan 0.000 0.424 1110 K N 4.310 124.682 120.400 -0.048 0.000 2.350 1110 K HA 0.304 4.625 4.320 0.002 0.000 0.279 1110 K C -0.404 176.114 176.600 -0.136 0.000 1.027 1110 K CA -0.497 55.746 56.287 -0.073 0.000 0.969 1110 K CB 0.563 33.044 32.500 -0.030 0.000 0.954 1110 K HN 0.473 nan 8.250 nan 0.000 0.474 1111 I N 6.210 126.649 120.570 -0.219 0.000 2.224 1111 I HA 0.056 4.227 4.170 0.002 0.000 0.293 1111 I C 0.003 176.048 176.117 -0.120 0.000 1.155 1111 I CA -0.198 60.887 61.300 -0.358 0.000 1.297 1111 I CB -0.930 36.792 38.000 -0.463 0.000 1.487 1111 I HN 0.714 nan 8.210 nan 0.000 0.564 1112 D N 3.395 123.799 120.400 0.007 0.000 2.831 1112 D HA 0.222 4.864 4.640 0.002 0.000 0.240 1112 D C 0.715 177.063 176.300 0.080 0.000 1.183 1112 D CA -0.433 53.586 54.000 0.031 0.000 1.079 1112 D CB 0.688 41.498 40.800 0.018 0.000 1.262 1112 D HN 0.092 nan 8.370 nan 0.000 0.634 1113 E N -0.536 119.693 120.200 0.050 0.000 2.150 1113 E HA -0.107 4.245 4.350 0.002 0.000 0.193 1113 E C 1.475 178.110 176.600 0.058 0.000 0.985 1113 E CA 0.783 57.214 56.400 0.051 0.000 0.814 1113 E CB 0.133 29.855 29.700 0.037 0.000 0.752 1113 E HN 0.393 nan 8.360 nan 0.000 0.466 1114 E N 0.459 120.691 120.200 0.055 0.000 2.106 1114 E HA -0.140 4.212 4.350 0.002 0.000 0.192 1114 E C 1.813 178.431 176.600 0.029 0.000 0.984 1114 E CA 0.425 56.846 56.400 0.036 0.000 0.806 1114 E CB -0.444 29.277 29.700 0.035 0.000 0.750 1114 E HN 0.240 nan 8.360 nan 0.000 0.458 1115 F N 1.390 121.297 119.950 -0.071 0.000 2.069 1115 F HA -0.270 4.259 4.527 0.003 0.000 0.298 1115 F C 2.332 178.064 175.800 -0.115 0.000 1.113 1115 F CA 1.522 59.445 58.000 -0.128 0.000 1.214 1115 F CB -0.585 38.304 39.000 -0.186 0.000 0.978 1115 F HN -0.009 nan 8.300 nan 0.000 0.474 1116 C N 1.039 120.206 119.300 -0.221 0.000 2.425 1116 C HA -0.104 4.357 4.460 0.002 0.000 0.277 1116 C C 2.876 177.865 174.990 -0.001 0.000 1.280 1116 C CA 1.087 59.970 59.018 -0.225 0.000 1.744 1116 C CB -1.384 26.304 27.740 -0.086 0.000 1.989 1116 C HN 0.508 nan 8.230 nan 0.000 0.491 1117 R N 0.855 121.366 120.500 0.017 0.000 2.073 1117 R HA -0.092 4.249 4.340 0.002 0.000 0.234 1117 R C 2.456 178.695 176.300 -0.101 0.000 1.134 1117 R CA 1.378 57.472 56.100 -0.009 0.000 0.952 1117 R CB -0.257 30.038 30.300 -0.008 0.000 0.850 1117 R HN 0.523 nan 8.270 nan 0.000 0.433 1118 R N 0.109 120.526 120.500 -0.139 0.000 2.115 1118 R HA -0.128 4.214 4.340 0.002 0.000 0.230 1118 R C 2.297 178.483 176.300 -0.189 0.000 1.111 1118 R CA 0.955 56.968 56.100 -0.145 0.000 0.976 1118 R CB -0.300 29.926 30.300 -0.124 0.000 0.870 1118 R HN 0.157 nan 8.270 nan 0.000 0.445 1119 L N 1.507 122.532 121.223 -0.330 0.000 2.056 1119 L HA -0.158 4.183 4.340 0.002 0.000 0.207 1119 L C 2.235 179.021 176.870 -0.140 0.000 1.078 1119 L CA 1.796 56.453 54.840 -0.306 0.000 0.749 1119 L CB -0.319 41.391 42.059 -0.582 0.000 0.901 1119 L HN -0.018 nan 8.230 nan 0.000 0.433 1120 K N -0.672 119.648 120.400 -0.132 0.000 2.148 1120 K HA -0.193 4.129 4.320 0.002 0.000 0.204 1120 K C 1.819 178.335 176.600 -0.139 0.000 1.050 1120 K CA 1.371 57.562 56.287 -0.160 0.000 0.942 1120 K CB 0.010 32.291 32.500 -0.365 0.000 0.724 1120 K HN 0.333 nan 8.250 nan 0.000 0.446 1121 E N -1.163 118.964 120.200 -0.122 0.000 2.482 1121 E HA -0.007 4.345 4.350 0.002 0.000 0.196 1121 E C 0.517 177.083 176.600 -0.056 0.000 1.047 1121 E CA 0.606 56.951 56.400 -0.091 0.000 0.869 1121 E CB 0.357 30.007 29.700 -0.084 0.000 0.836 1121 E HN 0.590 nan 8.360 nan 0.000 0.520 1122 G N 0.204 108.981 108.800 -0.038 0.000 2.168 1122 G HA2 -0.211 3.750 3.960 0.002 0.000 0.197 1122 G HA3 -0.211 3.750 3.960 0.002 0.000 0.197 1122 G C 0.365 175.270 174.900 0.009 0.000 0.997 1122 G CA 0.108 45.205 45.100 -0.005 0.000 0.658 1122 G HN 0.227 nan 8.290 nan 0.000 0.513 1123 T N 2.298 116.846 114.554 -0.011 0.000 2.907 1123 T HA 0.641 4.993 4.350 0.002 0.000 0.298 1123 T C 0.335 175.049 174.700 0.023 0.000 1.017 1123 T CA 0.042 62.145 62.100 0.005 0.000 1.118 1123 T CB 1.252 70.110 68.868 -0.017 0.000 0.948 1123 T HN 0.337 nan 8.240 nan 0.000 0.531 1124 R N 1.773 122.305 120.500 0.052 0.000 2.771 1124 R HA 0.424 4.766 4.340 0.002 0.000 0.274 1124 R C -0.145 176.181 176.300 0.043 0.000 0.987 1124 R CA -0.927 55.190 56.100 0.029 0.000 0.908 1124 R CB 1.501 31.883 30.300 0.137 0.000 1.213 1124 R HN 0.617 nan 8.270 nan 0.000 0.468 1125 M N 1.792 121.303 119.600 -0.147 0.000 2.245 1125 M HA 0.108 4.589 4.480 0.002 0.000 0.312 1125 M C 0.749 177.178 176.300 0.214 0.000 1.070 1125 M CA 0.900 56.097 55.300 -0.171 0.000 1.162 1125 M CB 0.356 32.520 32.600 -0.726 0.000 1.448 1125 M HN 0.162 nan 8.290 nan 0.000 0.446 1126 R N 0.711 121.337 120.500 0.210 0.000 2.549 1126 R HA 0.563 4.905 4.340 0.002 0.000 0.267 1126 R C -0.264 176.145 176.300 0.182 0.000 1.045 1126 R CA -0.782 55.440 56.100 0.203 0.000 1.115 1126 R CB 0.588 30.939 30.300 0.085 0.000 1.121 1126 R HN 0.779 nan 8.270 nan 0.000 0.543 1127 A N 3.334 125.863 122.820 -0.486 0.000 2.546 1127 A HA 0.149 4.470 4.320 0.002 0.000 0.243 1127 A C -1.760 175.697 177.584 -0.213 0.000 1.063 1127 A CA -0.810 50.791 52.037 -0.726 0.000 0.757 1127 A CB -0.512 17.788 19.000 -1.166 0.000 0.991 1127 A HN 0.466 nan 8.150 nan 0.000 0.503 1128 P HA 0.158 nan 4.420 nan 0.000 0.274 1128 P C -0.287 176.850 177.300 -0.272 0.000 1.256 1128 P CA -0.354 62.514 63.100 -0.387 0.000 0.795 1128 P CB 0.678 31.817 31.700 -0.934 0.000 1.038 1129 D N -0.299 119.933 120.400 -0.281 0.000 2.221 1129 D HA -0.152 4.489 4.640 0.002 0.000 0.204 1129 D C 0.860 176.827 176.300 -0.555 0.000 0.982 1129 D CA 1.898 55.648 54.000 -0.415 0.000 0.857 1129 D CB -0.429 40.037 40.800 -0.557 0.000 0.934 1129 D HN 0.486 nan 8.370 nan 0.000 0.475 1130 Y N -0.440 119.729 120.300 -0.217 0.000 2.636 1130 Y HA 0.236 4.788 4.550 0.002 0.000 0.260 1130 Y C 1.071 177.019 175.900 0.079 0.000 1.177 1130 Y CA -0.393 57.602 58.100 -0.174 0.000 1.209 1130 Y CB 0.106 38.306 38.460 -0.434 0.000 1.166 1130 Y HN -0.272 nan 8.280 nan 0.000 0.531 1131 T N 0.966 115.594 114.554 0.122 0.000 2.788 1131 T HA 0.351 4.703 4.350 0.002 0.000 0.287 1131 T C 0.520 175.207 174.700 -0.022 0.000 1.007 1131 T CA -0.145 61.966 62.100 0.018 0.000 1.005 1131 T CB 0.582 69.366 68.868 -0.139 0.000 1.012 1131 T HN 0.356 nan 8.240 nan 0.000 0.530 1132 T N 1.234 115.719 114.554 -0.115 0.000 2.940 1132 T HA 0.507 4.858 4.350 0.002 0.000 0.288 1132 T C -2.085 172.582 174.700 -0.056 0.000 1.033 1132 T CA -1.821 60.250 62.100 -0.048 0.000 1.033 1132 T CB 1.327 70.175 68.868 -0.034 0.000 1.079 1132 T HN 0.269 nan 8.240 nan 0.000 0.496 1133 P HA -0.072 nan 4.420 nan 0.000 0.216 1133 P C 1.097 178.414 177.300 0.028 0.000 1.150 1133 P CA 1.085 64.202 63.100 0.027 0.000 0.837 1133 P CB 0.091 31.807 31.700 0.026 0.000 0.786 1134 E N -1.490 118.707 120.200 -0.004 0.000 2.072 1134 E HA -0.157 4.195 4.350 0.002 0.000 0.191 1134 E C 1.944 178.528 176.600 -0.027 0.000 0.985 1134 E CA 1.065 57.472 56.400 0.010 0.000 0.801 1134 E CB -0.761 28.946 29.700 0.011 0.000 0.750 1134 E HN 0.104 nan 8.360 nan 0.000 0.452 1135 M N -0.480 119.037 119.600 -0.139 0.000 2.117 1135 M HA -0.144 4.338 4.480 0.002 0.000 0.262 1135 M C 1.915 178.094 176.300 -0.203 0.000 1.065 1135 M CA 1.399 56.533 55.300 -0.276 0.000 1.114 1135 M CB -0.401 31.767 32.600 -0.721 0.000 1.361 1135 M HN 0.206 nan 8.290 nan 0.000 0.408 1136 Y N 0.234 120.381 120.300 -0.255 0.000 2.181 1136 Y HA -0.274 4.277 4.550 0.003 0.000 0.288 1136 Y C 2.412 178.203 175.900 -0.182 0.000 1.146 1136 Y CA 2.304 60.288 58.100 -0.194 0.000 1.164 1136 Y CB -0.763 37.632 38.460 -0.109 0.000 0.982 1136 Y HN 0.398 nan 8.280 nan 0.000 0.515 1137 Q N -0.295 119.383 119.800 -0.203 0.000 2.170 1137 Q HA -0.125 4.217 4.340 0.002 0.000 0.203 1137 Q C 2.077 177.911 176.000 -0.277 0.000 0.976 1137 Q CA 2.424 58.070 55.803 -0.262 0.000 0.858 1137 Q CB -0.672 28.005 28.738 -0.103 0.000 0.907 1137 Q HN 0.439 nan 8.270 nan 0.000 0.433 1138 T N 0.235 114.673 114.554 -0.195 0.000 2.821 1138 T HA -0.098 4.253 4.350 0.002 0.000 0.267 1138 T C 1.667 176.162 174.700 -0.342 0.000 1.046 1138 T CA 1.444 63.447 62.100 -0.160 0.000 1.139 1138 T CB -0.154 68.724 68.868 0.016 0.000 0.871 1138 T HN 0.302 nan 8.240 nan 0.000 0.454 1139 M N 0.397 119.682 119.600 -0.524 0.000 2.086 1139 M HA -0.007 4.475 4.480 0.002 0.000 0.261 1139 M C 2.157 177.680 176.300 -1.294 0.000 1.067 1139 M CA 1.586 56.282 55.300 -1.008 0.000 1.116 1139 M CB -0.497 31.513 32.600 -0.984 0.000 1.348 1139 M HN 0.199 nan 8.290 nan 0.000 0.407 1140 L N -0.242 120.459 121.223 -0.871 0.000 2.079 1140 L HA -0.262 4.080 4.340 0.002 0.000 0.210 1140 L C 2.009 178.691 176.870 -0.313 0.000 1.081 1140 L CA 1.017 55.551 54.840 -0.511 0.000 0.752 1140 L CB -0.979 40.829 42.059 -0.419 0.000 0.896 1140 L HN 0.319 nan 8.230 nan 0.000 0.433 1141 D N -0.249 119.977 120.400 -0.291 0.000 2.097 1141 D HA -0.173 4.469 4.640 0.002 0.000 0.195 1141 D C 2.272 178.503 176.300 -0.115 0.000 0.989 1141 D CA 1.436 55.353 54.000 -0.139 0.000 0.827 1141 D CB -0.398 40.316 40.800 -0.143 0.000 0.966 1141 D HN 0.380 nan 8.370 nan 0.000 0.456 1142 C N 0.424 119.566 119.300 -0.264 0.000 2.411 1142 C HA -0.140 4.322 4.460 0.002 0.000 0.279 1142 C C 1.920 176.852 174.990 -0.097 0.000 1.288 1142 C CA 0.042 58.942 59.018 -0.198 0.000 1.764 1142 C CB -1.040 26.519 27.740 -0.302 0.000 1.974 1142 C HN 0.455 nan 8.230 nan 0.000 0.498 1143 W N 0.365 121.479 121.300 -0.309 0.000 3.438 1143 W HA 0.243 4.904 4.660 0.002 0.000 0.322 1143 W C 1.123 177.637 176.519 -0.008 0.000 1.261 1143 W CA -0.507 56.479 57.345 -0.599 0.000 1.788 1143 W CB -1.758 27.173 29.460 -0.881 0.000 1.065 1143 W HN 0.466 nan 8.180 nan 0.000 0.715 1144 H N 0.313 119.499 119.070 0.194 0.000 2.972 1144 H HA 0.014 4.572 4.556 0.002 0.000 0.343 1144 H C 1.541 177.050 175.328 0.300 0.000 1.054 1144 H CA 1.651 57.812 56.048 0.188 0.000 1.412 1144 H CB 1.074 30.892 29.762 0.094 0.000 1.385 1144 H HN 0.199 nan 8.280 nan 0.000 0.600 1145 G N 4.592 113.551 108.800 0.265 0.000 2.422 1145 G HA2 -0.156 3.805 3.960 0.002 0.000 0.218 1145 G HA3 -0.156 3.805 3.960 0.002 0.000 0.218 1145 G C 0.413 175.513 174.900 0.334 0.000 1.146 1145 G CA 0.218 45.487 45.100 0.282 0.000 0.769 1145 G HN 0.553 nan 8.290 nan 0.000 0.547 1146 E N 0.832 121.350 120.200 0.531 0.000 2.129 1146 E HA 0.186 4.538 4.350 0.002 0.000 0.283 1146 E C -1.444 175.221 176.600 0.109 0.000 1.080 1146 E CA -2.129 54.398 56.400 0.212 0.000 0.867 1146 E CB 1.536 31.296 29.700 0.100 0.000 1.056 1146 E HN 0.070 nan 8.360 nan 0.000 0.404 1147 P HA -0.233 nan 4.420 nan 0.000 0.218 1147 P C 1.278 178.585 177.300 0.011 0.000 1.154 1147 P CA 1.627 64.774 63.100 0.077 0.000 0.872 1147 P CB 0.230 31.963 31.700 0.054 0.000 0.790 1148 S N -2.205 113.479 115.700 -0.026 0.000 2.561 1148 S HA -0.052 4.420 4.470 0.002 0.000 0.225 1148 S C 1.633 176.159 174.600 -0.124 0.000 0.977 1148 S CA 0.517 58.682 58.200 -0.058 0.000 0.926 1148 S CB -0.695 62.479 63.200 -0.043 0.000 0.769 1148 S HN 0.072 nan 8.310 nan 0.000 0.533 1149 Q N 0.771 120.434 119.800 -0.228 0.000 2.319 1149 Q HA 0.289 4.631 4.340 0.002 0.000 0.202 1149 Q C 0.156 175.981 176.000 -0.292 0.000 0.896 1149 Q CA 0.162 55.723 55.803 -0.405 0.000 0.942 1149 Q CB 0.249 28.363 28.738 -1.040 0.000 1.083 1149 Q HN 0.642 nan 8.270 nan 0.000 0.510 1150 R N 1.926 122.340 120.500 -0.143 0.000 2.490 1150 R HA 0.250 4.592 4.340 0.002 0.000 0.278 1150 R C -2.045 174.196 176.300 -0.098 0.000 1.069 1150 R CA -1.449 54.614 56.100 -0.061 0.000 1.080 1150 R CB -0.091 30.220 30.300 0.018 0.000 1.030 1150 R HN -0.011 nan 8.270 nan 0.000 0.491 1151 P HA -0.013 nan 4.420 nan 0.000 0.272 1151 P C -0.346 176.852 177.300 -0.169 0.000 1.230 1151 P CA -0.253 62.778 63.100 -0.115 0.000 0.788 1151 P CB 0.657 32.297 31.700 -0.101 0.000 0.949 1152 T N -2.059 112.411 114.554 -0.140 0.000 2.847 1152 T HA 0.260 4.612 4.350 0.002 0.000 0.279 1152 T C 1.056 175.646 174.700 -0.184 0.000 0.984 1152 T CA -0.330 61.665 62.100 -0.175 0.000 0.988 1152 T CB 0.037 68.869 68.868 -0.060 0.000 1.040 1152 T HN 0.092 nan 8.240 nan 0.000 0.528 1153 F N 0.312 120.228 119.950 -0.057 0.000 2.293 1153 F HA 0.044 4.572 4.527 0.002 0.000 0.300 1153 F C 2.947 178.713 175.800 -0.058 0.000 1.086 1153 F CA 0.785 58.718 58.000 -0.112 0.000 1.375 1153 F CB -0.893 38.026 39.000 -0.136 0.000 1.045 1153 F HN 0.532 nan 8.300 nan 0.000 0.516 1154 S N -0.393 115.387 115.700 0.133 0.000 2.368 1154 S HA -0.167 4.305 4.470 0.002 0.000 0.224 1154 S C 1.937 176.594 174.600 0.094 0.000 1.029 1154 S CA 1.220 59.481 58.200 0.101 0.000 0.988 1154 S CB -0.236 63.008 63.200 0.074 0.000 0.838 1154 S HN 0.444 nan 8.310 nan 0.000 0.462 1155 E N 0.893 121.129 120.200 0.060 0.000 2.072 1155 E HA -0.063 4.288 4.350 0.002 0.000 0.191 1155 E C 2.001 178.667 176.600 0.110 0.000 0.985 1155 E CA 0.856 57.289 56.400 0.056 0.000 0.801 1155 E CB -0.231 29.467 29.700 -0.002 0.000 0.750 1155 E HN 0.395 nan 8.360 nan 0.000 0.452 1156 L N 0.401 121.688 121.223 0.106 0.000 2.056 1156 L HA -0.169 4.172 4.340 0.002 0.000 0.207 1156 L C 2.451 179.473 176.870 0.253 0.000 1.078 1156 L CA 0.623 55.574 54.840 0.185 0.000 0.749 1156 L CB -0.359 41.773 42.059 0.121 0.000 0.901 1156 L HN 0.048 nan 8.230 nan 0.000 0.433 1157 V N -0.132 119.912 119.914 0.216 0.000 2.343 1157 V HA -0.284 3.838 4.120 0.002 0.000 0.247 1157 V C 2.561 178.857 176.094 0.337 0.000 1.051 1157 V CA 1.994 64.464 62.300 0.283 0.000 1.036 1157 V CB -0.350 31.575 31.823 0.169 0.000 0.654 1157 V HN 0.439 nan 8.190 nan 0.000 0.451 1158 E N -0.070 120.267 120.200 0.228 0.000 2.028 1158 E HA -0.243 4.108 4.350 0.002 0.000 0.191 1158 E C 2.150 178.856 176.600 0.175 0.000 0.988 1158 E CA 1.909 58.418 56.400 0.182 0.000 0.799 1158 E CB -0.453 29.327 29.700 0.133 0.000 0.755 1158 E HN 0.735 nan 8.360 nan 0.000 0.447 1159 H N 0.110 119.230 119.070 0.083 0.000 2.290 1159 H HA -0.037 4.521 4.556 0.002 0.000 0.298 1159 H C 2.022 177.379 175.328 0.048 0.000 1.087 1159 H CA 2.206 58.286 56.048 0.052 0.000 1.291 1159 H CB -0.470 29.322 29.762 0.050 0.000 1.369 1159 H HN 0.180 nan 8.280 nan 0.000 0.492 1160 L N -0.658 120.613 121.223 0.081 0.000 2.079 1160 L HA -0.138 4.204 4.340 0.002 0.000 0.210 1160 L C 2.786 179.529 176.870 -0.211 0.000 1.081 1160 L CA 1.138 55.983 54.840 0.010 0.000 0.752 1160 L CB -0.912 41.331 42.059 0.306 0.000 0.896 1160 L HN 0.487 nan 8.230 nan 0.000 0.433 1161 G N 0.021 108.674 108.800 -0.244 0.000 2.421 1161 G HA2 -0.274 3.687 3.960 0.002 0.000 0.216 1161 G HA3 -0.274 3.687 3.960 0.002 0.000 0.216 1161 G C 1.328 176.020 174.900 -0.347 0.000 1.171 1161 G CA 1.083 45.829 45.100 -0.591 0.000 0.775 1161 G HN 0.470 nan 8.290 nan 0.000 0.543 1162 N N 0.004 118.588 118.700 -0.194 0.000 2.166 1162 N HA 0.005 4.747 4.740 0.002 0.000 0.186 1162 N C 2.205 177.605 175.510 -0.182 0.000 1.019 1162 N CA 0.513 53.474 53.050 -0.149 0.000 0.856 1162 N CB -0.148 38.290 38.487 -0.082 0.000 0.993 1162 N HN 0.229 nan 8.380 nan 0.000 0.426 1163 L N 0.422 121.497 121.223 -0.247 0.000 2.093 1163 L HA -0.125 4.217 4.340 0.002 0.000 0.208 1163 L C 2.255 179.029 176.870 -0.159 0.000 1.085 1163 L CA 0.511 55.224 54.840 -0.212 0.000 0.755 1163 L CB -0.299 41.604 42.059 -0.260 0.000 0.904 1163 L HN 0.244 nan 8.230 nan 0.000 0.435 1164 L N -0.241 120.855 121.223 -0.213 0.000 2.083 1164 L HA -0.222 4.119 4.340 0.002 0.000 0.209 1164 L C 2.500 179.272 176.870 -0.162 0.000 1.083 1164 L CA 1.762 56.483 54.840 -0.200 0.000 0.752 1164 L CB -0.461 41.386 42.059 -0.352 0.000 0.899 1164 L HN 0.243 nan 8.230 nan 0.000 0.433 1165 Q N -1.045 118.652 119.800 -0.172 0.000 2.083 1165 Q HA -0.079 4.262 4.340 0.002 0.000 0.198 1165 Q C 2.287 178.232 176.000 -0.092 0.000 0.969 1165 Q CA 1.321 57.051 55.803 -0.122 0.000 0.838 1165 Q CB -0.307 28.364 28.738 -0.111 0.000 0.900 1165 Q HN 0.660 nan 8.270 nan 0.000 0.436 1166 A N 1.452 124.218 122.820 -0.092 0.000 1.908 1166 A HA -0.277 4.044 4.320 0.002 0.000 0.218 1166 A C 1.814 179.359 177.584 -0.066 0.000 1.181 1166 A CA 1.937 53.930 52.037 -0.074 0.000 0.627 1166 A CB -0.798 18.158 19.000 -0.073 0.000 0.818 1166 A HN 0.389 nan 8.150 nan 0.000 0.445 1167 N N 0.012 118.678 118.700 -0.056 0.000 2.120 1167 N HA -0.077 4.665 4.740 0.002 0.000 0.188 1167 N C 1.719 177.209 175.510 -0.033 0.000 1.024 1167 N CA 1.899 54.935 53.050 -0.023 0.000 0.852 1167 N CB -0.337 38.152 38.487 0.004 0.000 1.003 1167 N HN 0.362 nan 8.380 nan 0.000 0.424 1168 A N 0.099 122.889 122.820 -0.051 0.000 1.933 1168 A HA -0.180 4.141 4.320 0.002 0.000 0.218 1168 A C 2.159 179.704 177.584 -0.064 0.000 1.175 1168 A CA 1.392 53.396 52.037 -0.055 0.000 0.628 1168 A CB -0.766 18.194 19.000 -0.068 0.000 0.814 1168 A HN 0.525 nan 8.150 nan 0.000 0.444 1169 Q N -0.653 119.111 119.800 -0.060 0.000 2.046 1169 Q HA -0.245 4.097 4.340 0.002 0.000 0.200 1169 Q C 2.274 178.261 176.000 -0.022 0.000 0.975 1169 Q CA 1.803 57.587 55.803 -0.030 0.000 0.836 1169 Q CB -0.158 28.569 28.738 -0.019 0.000 0.896 1169 Q HN 0.804 nan 8.270 nan 0.000 0.428 1170 Q N 0.227 119.951 119.800 -0.127 0.000 2.096 1170 Q HA -0.205 4.136 4.340 0.002 0.000 0.204 1170 Q C 1.689 177.326 176.000 -0.606 0.000 0.982 1170 Q CA 1.703 57.298 55.803 -0.347 0.000 0.850 1170 Q CB -0.022 28.583 28.738 -0.222 0.000 0.901 1170 Q HN 0.386 nan 8.270 nan 0.000 0.422 1171 D N -0.074 120.180 120.400 -0.243 0.000 2.149 1171 D HA -0.125 4.517 4.640 0.002 0.000 0.198 1171 D C 1.782 178.043 176.300 -0.064 0.000 0.990 1171 D CA 0.993 54.946 54.000 -0.077 0.000 0.839 1171 D CB -0.052 40.775 40.800 0.044 0.000 0.948 1171 D HN 0.134 nan 8.370 nan 0.000 0.460 1172 R N -0.685 119.750 120.500 -0.109 0.000 2.081 1172 R HA -0.107 4.234 4.340 0.002 0.000 0.235 1172 R C 2.101 178.284 176.300 -0.196 0.000 1.131 1172 R CA 1.082 57.103 56.100 -0.132 0.000 0.960 1172 R CB -0.241 29.936 30.300 -0.204 0.000 0.856 1172 R HN 0.380 nan 8.270 nan 0.000 0.436 1173 H N -0.948 117.936 119.070 -0.309 0.000 2.389 1173 H HA -0.054 4.503 4.556 0.002 0.000 0.299 1173 H C 1.961 177.066 175.328 -0.371 0.000 1.081 1173 H CA 1.447 57.223 56.048 -0.453 0.000 1.345 1173 H CB -0.035 29.440 29.762 -0.479 0.000 1.393 1173 H HN 0.267 nan 8.280 nan 0.000 0.520 1174 H N -0.918 118.142 119.070 -0.016 0.000 2.389 1174 H HA -0.118 4.440 4.556 0.003 0.000 0.299 1174 H C 2.166 177.631 175.328 0.228 0.000 1.081 1174 H CA 1.440 57.537 56.048 0.082 0.000 1.345 1174 H CB -0.322 29.302 29.762 -0.230 0.000 1.393 1174 H HN 0.525 nan 8.280 nan 0.000 0.520 1175 H N 0.123 119.306 119.070 0.187 0.000 2.395 1175 H HA -0.120 4.438 4.556 0.002 0.000 0.299 1175 H C 2.207 177.613 175.328 0.130 0.000 1.070 1175 H CA 1.484 57.635 56.048 0.171 0.000 1.356 1175 H CB 0.145 29.974 29.762 0.110 0.000 1.401 1175 H HN 0.371 nan 8.280 nan 0.000 0.524 1176 H N -0.238 118.860 119.070 0.047 0.000 2.357 1176 H HA -0.058 4.499 4.556 0.002 0.000 0.301 1176 H C 1.878 177.226 175.328 0.034 0.000 1.082 1176 H CA 2.003 58.049 56.048 -0.004 0.000 1.342 1176 H CB -0.218 29.470 29.762 -0.123 0.000 1.389 1176 H HN 0.498 nan 8.280 nan 0.000 0.511 1177 H N -1.785 117.185 119.070 -0.166 0.000 2.547 1177 H HA 0.096 4.653 4.556 0.002 0.000 0.272 1177 H C 0.086 174.985 175.328 -0.715 0.000 0.989 1177 H CA 0.221 55.986 56.048 -0.472 0.000 1.214 1177 H CB 0.389 29.862 29.762 -0.482 0.000 1.389 1177 H HN 0.471 nan 8.280 nan 0.000 0.577 1178 H N 0.000 119.113 119.070 0.072 0.000 2.539 1178 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1178 H CA 0.000 56.062 56.048 0.023 0.000 1.023 1178 H CB 0.000 29.805 29.762 0.071 0.000 1.292 1178 H HN 0.000 nan 8.280 nan 0.000 0.496