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 3dls_1_F DATA FIRST_RESID 982 DATA SEQUENCE AVELEGLAAC EGEYSQKYST MSPLGSGAFG FVWTAVDKEK NKEVVVKFIK DATA SEQUENCE KEKVXXXXWI EDPKLGKVTL EIAILSRVEH ANIIKVLDIF ENQGFFQLVM DATA SEQUENCE EKHGSGLDLF AFIDRHPRLD EPLASYIFRQ LVSAVGYLRL KDIIHRDIKD DATA SEQUENCE ENIVIAEDFT IKLIDFGSAA YLERGKLFYT FCGTIEYCAP EVLMGNPYRG DATA SEQUENCE PELEMWSLGV TLYTLVFEEN PFCELEETVE AAIHPPYLVS KELMSLVSGL DATA SEQUENCE LQPVPERRTT LEKLVTDPWV TQPVNLADYT WEEVF 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 982 A HA 0.000 nan 4.320 nan 0.000 0.244 982 A C 0.000 177.594 177.584 0.017 0.000 1.274 982 A CA 0.000 52.045 52.037 0.013 0.000 0.836 982 A CB 0.000 19.008 19.000 0.014 0.000 0.831 983 V N 2.745 122.667 119.914 0.014 0.000 2.407 983 V HA 0.336 4.456 4.120 0.000 0.000 0.291 983 V C 0.127 176.233 176.094 0.019 0.000 1.018 983 V CA -0.505 61.806 62.300 0.018 0.000 0.842 983 V CB 1.649 33.478 31.823 0.010 0.000 0.996 983 V HN 0.918 nan 8.190 nan 0.000 0.426 984 E N 4.156 124.378 120.200 0.036 0.000 2.417 984 E HA 0.115 4.465 4.350 0.000 0.000 0.261 984 E C -0.900 175.720 176.600 0.032 0.000 1.000 984 E CA -0.460 55.965 56.400 0.041 0.000 0.919 984 E CB 0.793 30.535 29.700 0.070 0.000 0.955 984 E HN 0.259 nan 8.360 nan 0.000 0.455 985 L N 4.348 125.576 121.223 0.009 0.000 2.312 985 L HA 0.073 4.413 4.340 0.000 0.000 0.287 985 L C 0.771 177.626 176.870 -0.024 0.000 1.091 985 L CA 0.510 55.338 54.840 -0.020 0.000 0.846 985 L CB 0.302 42.340 42.059 -0.034 0.000 1.219 985 L HN 0.530 nan 8.230 nan 0.000 0.439 986 E N 1.979 122.159 120.200 -0.032 0.000 2.585 986 E HA 0.187 4.538 4.350 0.000 0.000 0.206 986 E C 1.491 177.940 176.600 -0.252 0.000 1.007 986 E CA 0.038 56.407 56.400 -0.053 0.000 1.028 986 E CB 1.009 30.782 29.700 0.122 0.000 1.087 986 E HN 0.772 nan 8.360 nan 0.000 0.455 987 G N 0.924 109.576 108.800 -0.247 0.000 2.404 987 G HA2 -0.194 3.767 3.960 0.000 0.000 0.215 987 G HA3 -0.194 3.767 3.960 0.000 0.000 0.215 987 G C 1.539 176.236 174.900 -0.339 0.000 1.174 987 G CA 0.254 45.142 45.100 -0.355 0.000 0.780 987 G HN 0.206 nan 8.290 nan 0.000 0.537 988 L N 0.482 121.578 121.223 -0.213 0.000 2.217 988 L HA 0.115 4.455 4.340 0.000 0.000 0.211 988 L C 3.136 179.914 176.870 -0.154 0.000 1.107 988 L CA 0.765 55.512 54.840 -0.154 0.000 0.783 988 L CB -0.152 41.851 42.059 -0.093 0.000 0.919 988 L HN 0.310 nan 8.230 nan 0.000 0.442 989 A N -0.336 122.376 122.820 -0.179 0.000 2.081 989 A HA 0.221 4.541 4.320 0.000 0.000 0.214 989 A C 2.360 179.782 177.584 -0.269 0.000 1.158 989 A CA 0.977 52.946 52.037 -0.113 0.000 0.724 989 A CB -0.223 18.796 19.000 0.032 0.000 0.826 989 A HN 0.305 nan 8.150 nan 0.000 0.463 990 A N -1.717 120.667 122.820 -0.727 0.000 2.132 990 A HA 0.096 4.416 4.320 0.000 0.000 0.213 990 A C 1.838 179.075 177.584 -0.578 0.000 1.154 990 A CA 1.297 52.593 52.037 -1.236 0.000 0.753 990 A CB -0.614 17.184 19.000 -2.003 0.000 0.826 990 A HN 0.528 nan 8.150 nan 0.000 0.469 991 C N -0.165 118.928 119.300 -0.346 0.000 2.700 991 C HA 0.196 4.656 4.460 0.000 0.000 0.297 991 C C 1.135 176.223 174.990 0.162 0.000 1.293 991 C CA 0.070 59.108 59.018 0.033 0.000 1.756 991 C CB -0.820 26.943 27.740 0.038 0.000 2.210 991 C HN 0.802 nan 8.230 nan 0.000 0.553 992 E N 1.198 121.413 120.200 0.024 0.000 2.436 992 E HA 0.401 4.752 4.350 0.000 0.000 0.262 992 E C 0.784 177.414 176.600 0.050 0.000 1.063 992 E CA 1.109 57.525 56.400 0.026 0.000 0.944 992 E CB 0.042 29.738 29.700 -0.006 0.000 0.950 992 E HN 0.580 nan 8.360 nan 0.000 0.444 993 G N 1.926 110.731 108.800 0.009 0.000 2.464 993 G HA2 -0.324 3.636 3.960 0.000 0.000 0.216 993 G HA3 -0.324 3.636 3.960 0.000 0.000 0.216 993 G C 0.523 175.367 174.900 -0.093 0.000 1.186 993 G CA 0.017 45.106 45.100 -0.018 0.000 1.010 993 G HN 0.721 nan 8.290 nan 0.000 0.585 994 E N -0.879 119.216 120.200 -0.175 0.000 2.274 994 E HA -0.028 4.322 4.350 0.000 0.000 0.194 994 E C 1.972 178.110 176.600 -0.771 0.000 0.996 994 E CA 1.367 57.518 56.400 -0.415 0.000 0.840 994 E CB -0.111 29.349 29.700 -0.401 0.000 0.772 994 E HN 0.526 nan 8.360 nan 0.000 0.491 995 Y N 0.575 120.450 120.300 -0.708 0.000 2.145 995 Y HA -0.172 4.379 4.550 0.000 0.000 0.286 995 Y C 2.144 177.973 175.900 -0.117 0.000 1.145 995 Y CA 1.924 59.796 58.100 -0.380 0.000 1.148 995 Y CB -0.289 38.225 38.460 0.090 0.000 0.981 995 Y HN -0.068 nan 8.280 nan 0.000 0.507 996 S N 0.334 115.919 115.700 -0.192 0.000 2.555 996 S HA -0.097 4.373 4.470 0.000 0.000 0.230 996 S C 1.656 176.119 174.600 -0.228 0.000 0.978 996 S CA 0.488 58.553 58.200 -0.225 0.000 0.934 996 S CB -0.160 63.007 63.200 -0.055 0.000 0.766 996 S HN 0.531 nan 8.310 nan 0.000 0.533 997 Q N 0.661 120.304 119.800 -0.261 0.000 2.269 997 Q HA 0.146 4.486 4.340 0.000 0.000 0.201 997 Q C 1.945 177.779 176.000 -0.276 0.000 0.946 997 Q CA 0.865 56.530 55.803 -0.231 0.000 0.877 997 Q CB 0.066 28.678 28.738 -0.209 0.000 0.963 997 Q HN 0.449 nan 8.270 nan 0.000 0.472 998 K N -1.307 118.860 120.400 -0.389 0.000 2.306 998 K HA 0.080 4.401 4.320 0.000 0.000 0.200 998 K C -0.181 176.028 176.600 -0.652 0.000 1.083 998 K CA 0.262 56.239 56.287 -0.518 0.000 0.959 998 K CB 0.668 32.829 32.500 -0.566 0.000 0.994 998 K HN -0.083 nan 8.250 nan 0.000 0.492 999 Y N -0.777 119.311 120.300 -0.355 0.000 2.598 999 Y HA 0.421 4.971 4.550 0.000 0.000 0.340 999 Y C -0.452 175.191 175.900 -0.429 0.000 1.038 999 Y CA -1.124 56.760 58.100 -0.359 0.000 1.100 999 Y CB 2.174 40.443 38.460 -0.318 0.000 1.281 999 Y HN -0.254 nan 8.280 nan 0.000 0.488 1000 S N 0.585 116.280 115.700 -0.009 0.000 2.756 1000 S HA 0.403 4.874 4.470 0.000 0.000 0.303 1000 S C -1.162 173.520 174.600 0.136 0.000 1.135 1000 S CA -0.673 57.535 58.200 0.013 0.000 1.066 1000 S CB 0.201 63.412 63.200 0.019 0.000 1.008 1000 S HN 0.625 nan 8.310 nan 0.000 0.482 1001 T N 6.633 121.305 114.554 0.196 0.000 2.834 1001 T HA 0.201 4.551 4.350 0.000 0.000 0.298 1001 T C 1.079 175.928 174.700 0.248 0.000 0.966 1001 T CA -0.363 61.902 62.100 0.274 0.000 1.141 1001 T CB 0.698 69.706 68.868 0.234 0.000 0.905 1001 T HN 0.558 nan 8.240 nan 0.000 0.535 1002 M N 1.569 121.368 119.600 0.332 0.000 3.101 1002 M HA 0.215 4.695 4.480 0.000 0.000 0.236 1002 M C 0.834 177.383 176.300 0.415 0.000 1.538 1002 M CA 0.606 56.086 55.300 0.300 0.000 1.309 1002 M CB -0.459 32.267 32.600 0.211 0.000 1.141 1002 M HN 0.697 nan 8.290 nan 0.000 0.579 1003 S N 0.413 116.385 115.700 0.454 0.000 2.537 1003 S HA 0.650 5.120 4.470 0.000 0.000 0.270 1003 S C -2.980 171.635 174.600 0.024 0.000 1.142 1003 S CA -1.248 57.114 58.200 0.270 0.000 0.870 1003 S CB 2.113 65.377 63.200 0.108 0.000 1.112 1003 S HN -0.021 nan 8.310 nan 0.000 0.466 1004 P HA 0.383 nan 4.420 nan 0.000 0.270 1004 P C -1.000 176.063 177.300 -0.395 0.000 1.223 1004 P CA -0.407 62.144 63.100 -0.915 0.000 0.785 1004 P CB 0.503 31.558 31.700 -1.076 0.000 0.923 1005 L N 0.589 121.627 121.223 -0.308 0.000 2.422 1005 L HA 0.732 5.072 4.340 0.000 0.000 0.264 1005 L C 0.595 177.398 176.870 -0.111 0.000 0.984 1005 L CA -0.060 54.698 54.840 -0.137 0.000 0.819 1005 L CB 2.089 44.124 42.059 -0.039 0.000 1.330 1005 L HN 0.812 nan 8.230 nan 0.000 0.410 1006 G N 0.827 109.584 108.800 -0.072 0.000 2.306 1006 G HA2 -0.150 3.810 3.960 0.000 0.000 0.262 1006 G HA3 -0.150 3.810 3.960 0.000 0.000 0.262 1006 G C 0.254 175.122 174.900 -0.052 0.000 1.263 1006 G CA -0.051 45.021 45.100 -0.047 0.000 1.088 1006 G HN 0.491 nan 8.290 nan 0.000 0.489 1007 S N -0.165 115.500 115.700 -0.058 0.000 2.348 1007 S HA 0.385 4.855 4.470 0.000 0.000 0.221 1007 S C 1.231 175.789 174.600 -0.070 0.000 1.033 1007 S CA 2.490 60.656 58.200 -0.058 0.000 1.010 1007 S CB -0.553 62.590 63.200 -0.094 0.000 0.891 1007 S HN 2.185 nan 8.310 nan 0.000 0.442 1008 G N -1.919 106.821 108.800 -0.100 0.000 2.322 1008 G HA2 0.526 4.486 3.960 0.000 0.000 0.295 1008 G HA3 0.526 4.486 3.960 0.000 0.000 0.295 1008 G C -0.519 174.293 174.900 -0.147 0.000 1.369 1008 G CA -0.150 44.866 45.100 -0.140 0.000 0.821 1008 G HN 1.077 nan 8.290 nan 0.000 0.536 1009 A N -1.384 121.322 122.820 -0.189 0.000 2.791 1009 A HA 0.210 4.530 4.320 0.000 0.000 0.292 1009 A C 1.193 178.807 177.584 0.049 0.000 1.487 1009 A CA 1.609 53.607 52.037 -0.064 0.000 0.760 1009 A CB -2.202 16.815 19.000 0.029 0.000 1.031 1009 A HN 2.485 nan 8.150 nan 0.000 0.503 1010 F N -3.409 116.428 119.950 -0.188 0.000 2.306 1010 F HA -0.000 4.527 4.527 0.000 0.000 0.519 1010 F C 2.268 177.904 175.800 -0.273 0.000 0.600 1010 F CA 2.321 60.142 58.000 -0.299 0.000 0.893 1010 F CB -1.630 37.282 39.000 -0.147 0.000 3.425 1010 F HN 2.390 nan 8.300 nan 0.000 0.200 1011 G N -1.026 107.822 108.800 0.081 0.000 2.508 1011 G HA2 -0.119 3.841 3.960 0.000 0.000 0.220 1011 G HA3 -0.119 3.841 3.960 0.000 0.000 0.220 1011 G C -0.327 174.667 174.900 0.156 0.000 1.287 1011 G CA -0.120 44.932 45.100 -0.079 0.000 0.916 1011 G HN 0.914 nan 8.290 nan 0.000 0.574 1012 F N 0.338 120.550 119.950 0.437 0.000 2.678 1012 F HA 0.466 4.993 4.527 0.000 0.000 0.305 1012 F C 1.119 177.291 175.800 0.620 0.000 1.090 1012 F CA -0.274 58.084 58.000 0.597 0.000 1.272 1012 F CB 0.934 40.190 39.000 0.426 0.000 1.060 1012 F HN 0.294 nan 8.300 nan 0.000 0.576 1013 V N -0.178 120.075 119.914 0.565 0.000 2.384 1013 V HA 0.352 4.472 4.120 0.000 0.000 0.287 1013 V C -1.031 175.232 176.094 0.281 0.000 1.020 1013 V CA -0.795 61.730 62.300 0.374 0.000 0.850 1013 V CB 1.051 32.975 31.823 0.168 0.000 0.987 1013 V HN 0.093 nan 8.190 nan 0.000 0.436 1014 W N 1.181 122.549 121.300 0.113 0.000 3.033 1014 W HA 0.570 5.230 4.660 0.000 0.000 0.336 1014 W C 0.054 176.621 176.519 0.080 0.000 1.173 1014 W CA -0.764 56.663 57.345 0.138 0.000 1.185 1014 W CB 1.485 31.099 29.460 0.257 0.000 1.425 1014 W HN 0.332 nan 8.180 nan 0.000 0.536 1015 T N 2.469 117.202 114.554 0.299 0.000 2.814 1015 T HA 0.604 4.954 4.350 0.000 0.000 0.297 1015 T C 0.131 174.990 174.700 0.265 0.000 0.956 1015 T CA 0.109 62.334 62.100 0.208 0.000 1.123 1015 T CB 0.366 69.320 68.868 0.143 0.000 0.902 1015 T HN 0.499 nan 8.240 nan 0.000 0.528 1016 A N 3.137 126.077 122.820 0.200 0.000 2.387 1016 A HA 0.905 5.225 4.320 0.000 0.000 0.298 1016 A C -0.941 176.746 177.584 0.173 0.000 1.165 1016 A CA -0.729 51.437 52.037 0.215 0.000 0.814 1016 A CB 1.461 20.610 19.000 0.248 0.000 1.357 1016 A HN 0.631 nan 8.150 nan 0.000 0.443 1017 V N 0.906 120.936 119.914 0.193 0.000 2.709 1017 V HA 0.331 4.451 4.120 0.000 0.000 0.308 1017 V C -0.920 175.316 176.094 0.237 0.000 1.062 1017 V CA -0.741 61.667 62.300 0.179 0.000 0.901 1017 V CB 1.817 33.707 31.823 0.113 0.000 1.003 1017 V HN 0.937 nan 8.190 nan 0.000 0.425 1018 D N 2.779 123.329 120.400 0.248 0.000 2.425 1018 D HA 0.165 4.805 4.640 0.000 0.000 0.247 1018 D C 0.986 177.278 176.300 -0.012 0.000 1.147 1018 D CA 0.252 54.312 54.000 0.100 0.000 0.879 1018 D CB 1.249 42.106 40.800 0.096 0.000 1.179 1018 D HN 0.508 nan 8.370 nan 0.000 0.456 1019 K N 2.393 122.729 120.400 -0.107 0.000 2.243 1019 K HA -0.039 4.281 4.320 0.000 0.000 0.201 1019 K C 1.741 178.299 176.600 -0.070 0.000 1.051 1019 K CA 1.012 57.250 56.287 -0.082 0.000 0.970 1019 K CB 0.254 32.687 32.500 -0.112 0.000 0.755 1019 K HN 0.552 nan 8.250 nan 0.000 0.465 1020 E N 1.764 121.910 120.200 -0.089 0.000 2.022 1020 E HA -0.103 4.247 4.350 0.000 0.000 0.193 1020 E C 2.110 178.689 176.600 -0.035 0.000 0.969 1020 E CA 1.381 57.744 56.400 -0.062 0.000 0.834 1020 E CB -0.874 28.783 29.700 -0.072 0.000 0.798 1020 E HN 0.272 nan 8.360 nan 0.000 0.467 1021 K N 0.371 120.754 120.400 -0.028 0.000 2.209 1021 K HA -0.042 4.278 4.320 0.000 0.000 0.204 1021 K C 1.259 177.864 176.600 0.008 0.000 1.048 1021 K CA 1.123 57.407 56.287 -0.004 0.000 0.940 1021 K CB -0.636 31.869 32.500 0.009 0.000 0.729 1021 K HN 0.663 nan 8.250 nan 0.000 0.451 1022 N N -1.000 117.708 118.700 0.012 0.000 2.525 1022 N HA -0.099 4.641 4.740 0.000 0.000 0.283 1022 N C -0.664 174.868 175.510 0.036 0.000 1.259 1022 N CA 1.388 54.453 53.050 0.024 0.000 0.689 1022 N CB -1.670 36.825 38.487 0.012 0.000 0.899 1022 N HN 1.107 nan 8.380 nan 0.000 0.541 1023 K N 1.417 121.853 120.400 0.059 0.000 2.562 1023 K HA 0.539 4.860 4.320 0.000 0.000 0.267 1023 K C -0.330 176.317 176.600 0.080 0.000 0.938 1023 K CA -0.444 55.877 56.287 0.057 0.000 0.840 1023 K CB 0.789 33.318 32.500 0.048 0.000 1.390 1023 K HN 0.378 nan 8.250 nan 0.000 0.428 1024 E N 1.028 121.264 120.200 0.059 0.000 2.415 1024 E HA 0.321 4.671 4.350 0.000 0.000 0.263 1024 E C 0.311 176.947 176.600 0.060 0.000 0.995 1024 E CA 0.168 56.605 56.400 0.063 0.000 0.915 1024 E CB 0.720 30.443 29.700 0.039 0.000 0.951 1024 E HN 0.622 nan 8.360 nan 0.000 0.449 1025 V N 0.110 120.063 119.914 0.064 0.000 3.158 1025 V HA 0.629 4.749 4.120 0.000 0.000 0.311 1025 V C -0.508 175.593 176.094 0.013 0.000 1.181 1025 V CA -0.989 61.321 62.300 0.017 0.000 1.054 1025 V CB 2.000 33.794 31.823 -0.047 0.000 1.085 1025 V HN 0.288 nan 8.190 nan 0.000 0.446 1026 V N 1.435 121.336 119.914 -0.022 0.000 2.417 1026 V HA 0.591 4.711 4.120 0.000 0.000 0.291 1026 V C -0.180 175.871 176.094 -0.071 0.000 1.024 1026 V CA -0.449 61.848 62.300 -0.006 0.000 0.861 1026 V CB 1.478 33.306 31.823 0.008 0.000 0.985 1026 V HN 0.853 nan 8.190 nan 0.000 0.436 1027 V N 5.768 125.644 119.914 -0.064 0.000 2.483 1027 V HA 0.608 4.729 4.120 0.000 0.000 0.295 1027 V C -0.273 175.670 176.094 -0.252 0.000 1.035 1027 V CA -0.574 61.574 62.300 -0.254 0.000 0.896 1027 V CB 1.759 33.321 31.823 -0.435 0.000 0.986 1027 V HN 0.917 nan 8.190 nan 0.000 0.447 1028 K N 5.748 125.968 120.400 -0.301 0.000 2.450 1028 K HA 0.500 4.820 4.320 0.000 0.000 0.257 1028 K C -1.531 174.932 176.600 -0.229 0.000 0.953 1028 K CA -0.521 55.685 56.287 -0.135 0.000 0.844 1028 K CB 0.972 33.467 32.500 -0.009 0.000 1.103 1028 K HN 0.560 nan 8.250 nan 0.000 0.429 1029 F N 4.964 124.995 119.950 0.135 0.000 2.420 1029 F HA 0.357 4.884 4.527 0.000 0.000 0.352 1029 F C 0.354 176.167 175.800 0.022 0.000 1.108 1029 F CA -0.495 57.554 58.000 0.082 0.000 1.162 1029 F CB 0.711 39.744 39.000 0.055 0.000 1.118 1029 F HN 0.268 nan 8.300 nan 0.000 0.510 1030 I N 3.791 124.531 120.570 0.283 0.000 2.437 1030 I HA 0.301 4.472 4.170 0.000 0.000 0.279 1030 I C 0.084 176.177 176.117 -0.040 0.000 1.028 1030 I CA -0.684 60.673 61.300 0.094 0.000 1.142 1030 I CB 0.927 39.028 38.000 0.169 0.000 1.266 1030 I HN 0.640 nan 8.210 nan 0.000 0.461 1031 K N 4.556 124.680 120.400 -0.460 0.000 2.368 1031 K HA 0.282 4.603 4.320 0.000 0.000 0.282 1031 K C 0.266 176.591 176.600 -0.460 0.000 1.035 1031 K CA -0.422 55.286 56.287 -0.964 0.000 0.973 1031 K CB 0.127 32.068 32.500 -0.933 0.000 0.957 1031 K HN 0.473 nan 8.250 nan 0.000 0.474 1032 K N 2.132 122.262 120.400 -0.451 0.000 2.989 1032 K HA 0.233 4.553 4.320 0.000 0.000 0.264 1032 K C 1.135 177.622 176.600 -0.188 0.000 1.228 1032 K CA 0.935 57.088 56.287 -0.222 0.000 1.186 1032 K CB 0.060 32.424 32.500 -0.227 0.000 1.409 1032 K HN 0.857 nan 8.250 nan 0.000 0.271 1033 E N -0.265 119.834 120.200 -0.168 0.000 2.502 1033 E HA 0.040 4.390 4.350 0.000 0.000 0.206 1033 E C 1.348 177.916 176.600 -0.053 0.000 0.821 1033 E CA 0.452 56.788 56.400 -0.106 0.000 1.354 1033 E CB -0.142 29.489 29.700 -0.115 0.000 1.336 1033 E HN 0.232 nan 8.360 nan 0.000 0.675 1034 K N 0.501 120.870 120.400 -0.053 0.000 2.577 1034 K HA 0.795 5.116 4.320 0.000 0.000 0.210 1034 K C 0.577 177.172 176.600 -0.008 0.000 1.048 1034 K CA 0.551 56.828 56.287 -0.016 0.000 1.188 1034 K CB -0.569 31.929 32.500 -0.003 0.000 0.910 1034 K HN 1.281 nan 8.250 nan 0.000 0.483 1041 I N 2.465 123.048 120.570 0.023 0.000 2.534 1041 I HA 0.355 4.526 4.170 0.000 0.000 0.288 1041 I C -0.573 175.555 176.117 0.017 0.000 1.077 1041 I CA -1.294 60.019 61.300 0.022 0.000 1.051 1041 I CB 2.070 40.091 38.000 0.035 0.000 1.234 1041 I HN 0.603 nan 8.210 nan 0.000 0.425 1042 E N 3.709 123.917 120.200 0.013 0.000 1.893 1042 E HA 0.120 4.470 4.350 0.000 0.000 0.269 1042 E C -0.540 176.062 176.600 0.004 0.000 1.129 1042 E CA -0.090 56.318 56.400 0.013 0.000 0.904 1042 E CB 0.147 29.854 29.700 0.011 0.000 1.077 1042 E HN 0.344 nan 8.360 nan 0.000 0.407 1043 D N 3.523 123.927 120.400 0.006 0.000 2.277 1043 D HA 0.146 4.786 4.640 0.000 0.000 0.249 1043 D C -1.670 174.632 176.300 0.004 0.000 1.134 1043 D CA -2.018 51.982 54.000 0.000 0.000 0.863 1043 D CB 1.311 42.110 40.800 -0.001 0.000 1.143 1043 D HN 0.105 nan 8.370 nan 0.000 0.458 1044 P HA -0.201 nan 4.420 nan 0.000 0.216 1044 P C 1.096 178.400 177.300 0.007 0.000 1.154 1044 P CA 2.154 65.254 63.100 0.001 0.000 0.865 1044 P CB 0.073 31.770 31.700 -0.005 0.000 0.789 1045 K N -0.804 119.600 120.400 0.006 0.000 2.228 1045 K HA 0.040 4.361 4.320 0.000 0.000 0.202 1045 K C 1.881 178.491 176.600 0.016 0.000 1.051 1045 K CA 1.310 57.602 56.287 0.009 0.000 0.960 1045 K CB -1.085 31.418 32.500 0.004 0.000 0.743 1045 K HN 0.165 nan 8.250 nan 0.000 0.458 1046 L N -2.663 118.570 121.223 0.017 0.000 2.840 1046 L HA 0.371 4.711 4.340 0.000 0.000 0.249 1046 L C 1.479 178.379 176.870 0.051 0.000 1.119 1046 L CA 0.227 55.085 54.840 0.030 0.000 0.930 1046 L CB 0.928 42.993 42.059 0.011 0.000 1.295 1046 L HN 0.635 nan 8.230 nan 0.000 0.534 1047 G N 0.622 109.446 108.800 0.039 0.000 2.496 1047 G HA2 -0.250 3.710 3.960 0.000 0.000 0.243 1047 G HA3 -0.250 3.710 3.960 0.000 0.000 0.243 1047 G C -0.198 174.737 174.900 0.058 0.000 1.176 1047 G CA -0.463 44.667 45.100 0.049 0.000 0.940 1047 G HN -0.025 nan 8.290 nan 0.000 0.573 1048 K N 1.766 122.219 120.400 0.089 0.000 2.220 1048 K HA 0.488 4.809 4.320 0.000 0.000 0.283 1048 K C 0.772 177.486 176.600 0.191 0.000 1.098 1048 K CA 0.586 56.941 56.287 0.114 0.000 0.928 1048 K CB -0.279 32.291 32.500 0.115 0.000 1.214 1048 K HN 1.205 nan 8.250 nan 0.000 0.442 1049 V N 0.185 120.131 119.914 0.054 0.000 3.229 1049 V HA 0.615 4.736 4.120 0.000 0.000 0.310 1049 V C 0.580 176.559 176.094 -0.191 0.000 1.206 1049 V CA -0.880 61.315 62.300 -0.175 0.000 1.051 1049 V CB 0.999 32.659 31.823 -0.272 0.000 1.183 1049 V HN 0.607 nan 8.190 nan 0.000 0.466 1050 T N -1.479 112.839 114.554 -0.394 0.000 2.810 1050 T HA 0.408 4.758 4.350 0.000 0.000 0.277 1050 T C 0.718 175.341 174.700 -0.129 0.000 0.973 1050 T CA -0.101 61.882 62.100 -0.195 0.000 0.949 1050 T CB 0.883 69.630 68.868 -0.201 0.000 1.075 1050 T HN 0.649 nan 8.240 nan 0.000 0.537 1051 L N 0.163 121.349 121.223 -0.061 0.000 2.313 1051 L HA 0.207 4.548 4.340 0.000 0.000 0.214 1051 L C 2.510 179.357 176.870 -0.037 0.000 1.119 1051 L CA 1.458 56.290 54.840 -0.014 0.000 0.809 1051 L CB -1.228 40.844 42.059 0.022 0.000 0.933 1051 L HN 0.942 nan 8.230 nan 0.000 0.449 1052 E N -0.401 119.758 120.200 -0.068 0.000 2.046 1052 E HA -0.197 4.153 4.350 0.000 0.000 0.190 1052 E C 2.264 178.800 176.600 -0.108 0.000 0.982 1052 E CA 1.315 57.685 56.400 -0.051 0.000 0.800 1052 E CB -0.103 29.570 29.700 -0.045 0.000 0.756 1052 E HN 0.528 nan 8.360 nan 0.000 0.449 1053 I N 1.210 121.675 120.570 -0.174 0.000 2.179 1053 I HA -0.267 3.903 4.170 0.000 0.000 0.242 1053 I C 2.642 178.667 176.117 -0.153 0.000 1.088 1053 I CA 1.112 62.288 61.300 -0.207 0.000 1.357 1053 I CB -0.353 37.443 38.000 -0.339 0.000 1.051 1053 I HN 0.193 nan 8.210 nan 0.000 0.409 1054 A N 0.906 123.656 122.820 -0.117 0.000 1.883 1054 A HA -0.205 4.115 4.320 0.000 0.000 0.217 1054 A C 2.305 179.879 177.584 -0.017 0.000 1.186 1054 A CA 1.746 53.756 52.037 -0.045 0.000 0.624 1054 A CB -0.869 18.136 19.000 0.007 0.000 0.822 1054 A HN 0.407 nan 8.150 nan 0.000 0.444 1055 I N -0.733 119.817 120.570 -0.032 0.000 2.353 1055 I HA -0.169 4.002 4.170 0.000 0.000 0.248 1055 I C 2.289 178.294 176.117 -0.186 0.000 1.119 1055 I CA 0.782 62.047 61.300 -0.059 0.000 1.417 1055 I CB -0.170 37.785 38.000 -0.076 0.000 1.078 1055 I HN 0.276 nan 8.210 nan 0.000 0.421 1056 L N -0.104 120.949 121.223 -0.283 0.000 2.275 1056 L HA -0.159 4.182 4.340 0.000 0.000 0.215 1056 L C 2.517 179.262 176.870 -0.210 0.000 1.119 1056 L CA 0.921 55.536 54.840 -0.375 0.000 0.790 1056 L CB -0.243 41.599 42.059 -0.362 0.000 0.919 1056 L HN 0.217 nan 8.230 nan 0.000 0.443 1057 S N -0.411 115.208 115.700 -0.136 0.000 2.387 1057 S HA -0.098 4.373 4.470 0.000 0.000 0.226 1057 S C 1.935 176.507 174.600 -0.046 0.000 1.026 1057 S CA 0.950 59.098 58.200 -0.086 0.000 0.972 1057 S CB -0.061 63.099 63.200 -0.067 0.000 0.814 1057 S HN 0.428 nan 8.310 nan 0.000 0.477 1058 R N 0.947 121.433 120.500 -0.023 0.000 2.161 1058 R HA 0.084 4.425 4.340 0.000 0.000 0.213 1058 R C 0.555 176.893 176.300 0.063 0.000 1.055 1058 R CA 0.366 56.483 56.100 0.028 0.000 0.996 1058 R CB -0.128 30.213 30.300 0.069 0.000 0.901 1058 R HN 0.372 nan 8.270 nan 0.000 0.456 1059 V N -0.775 119.164 119.914 0.043 0.000 2.509 1059 V HA 0.657 4.778 4.120 0.000 0.000 0.284 1059 V C -0.330 175.801 176.094 0.062 0.000 1.047 1059 V CA -0.731 61.668 62.300 0.165 0.000 0.952 1059 V CB 1.250 33.191 31.823 0.197 0.000 0.988 1059 V HN 0.181 nan 8.190 nan 0.000 0.469 1060 E N 3.206 123.444 120.200 0.064 0.000 2.244 1060 E HA 0.648 4.998 4.350 0.000 0.000 0.260 1060 E C -0.955 175.421 176.600 -0.372 0.000 0.884 1060 E CA -0.755 55.579 56.400 -0.110 0.000 0.777 1060 E CB 1.478 31.150 29.700 -0.046 0.000 1.197 1060 E HN 1.135 nan 8.360 nan 0.000 0.416 1061 H N 0.831 119.640 119.070 -0.436 0.000 3.094 1061 H HA 0.566 5.122 4.556 0.000 0.000 0.346 1061 H C 0.546 175.712 175.328 -0.271 0.000 1.238 1061 H CA 0.283 56.033 56.048 -0.497 0.000 1.209 1061 H CB 2.064 31.384 29.762 -0.736 0.000 1.911 1061 H HN 0.631 nan 8.280 nan 0.000 0.540 1062 A N 2.969 125.412 122.820 -0.629 0.000 2.067 1062 A HA -0.129 4.191 4.320 0.000 0.000 0.219 1062 A C 1.029 178.520 177.584 -0.154 0.000 1.158 1062 A CA 1.719 53.551 52.037 -0.341 0.000 0.661 1062 A CB -0.346 18.435 19.000 -0.366 0.000 0.801 1062 A HN 0.753 nan 8.150 nan 0.000 0.452 1063 N N -1.409 117.334 118.700 0.071 0.000 2.184 1063 N HA 0.339 5.079 4.740 0.000 0.000 0.206 1063 N C -0.607 174.919 175.510 0.027 0.000 1.151 1063 N CA -0.096 52.989 53.050 0.058 0.000 0.878 1063 N CB 0.814 39.363 38.487 0.104 0.000 1.014 1063 N HN 0.362 nan 8.380 nan 0.000 0.512 1064 I N 0.969 121.572 120.570 0.055 0.000 2.404 1064 I HA 0.275 4.445 4.170 0.000 0.000 0.293 1064 I C -0.170 175.918 176.117 -0.048 0.000 0.992 1064 I CA -1.108 60.209 61.300 0.028 0.000 1.149 1064 I CB 1.655 39.687 38.000 0.055 0.000 1.315 1064 I HN -0.064 nan 8.210 nan 0.000 0.446 1065 I N 6.235 126.779 120.570 -0.043 0.000 2.880 1065 I HA -0.098 4.072 4.170 0.000 0.000 0.296 1065 I C 0.554 176.618 176.117 -0.088 0.000 1.220 1065 I CA 0.664 61.922 61.300 -0.070 0.000 1.435 1065 I CB 0.156 38.137 38.000 -0.032 0.000 1.339 1065 I HN 0.515 nan 8.210 nan 0.000 0.583 1066 K N 6.242 126.597 120.400 -0.074 0.000 2.227 1066 K HA 0.374 4.694 4.320 0.000 0.000 0.280 1066 K C -1.262 175.293 176.600 -0.075 0.000 1.041 1066 K CA -0.677 55.565 56.287 -0.075 0.000 0.905 1066 K CB 0.883 33.350 32.500 -0.056 0.000 1.068 1066 K HN 0.440 nan 8.250 nan 0.000 0.470 1067 V N 7.166 127.024 119.914 -0.093 0.000 2.455 1067 V HA 0.039 4.159 4.120 0.000 0.000 0.273 1067 V C 1.214 177.262 176.094 -0.077 0.000 1.045 1067 V CA -0.007 62.233 62.300 -0.100 0.000 0.976 1067 V CB 0.934 32.683 31.823 -0.123 0.000 0.993 1067 V HN 0.842 nan 8.190 nan 0.000 0.475 1068 L N 2.864 124.045 121.223 -0.071 0.000 2.354 1068 L HA 0.334 4.674 4.340 0.000 0.000 0.212 1068 L C 0.560 177.412 176.870 -0.031 0.000 1.091 1068 L CA 0.841 55.668 54.840 -0.022 0.000 0.828 1068 L CB 0.173 42.247 42.059 0.025 0.000 0.973 1068 L HN 0.628 nan 8.230 nan 0.000 0.461 1069 D N -1.367 118.956 120.400 -0.129 0.000 2.639 1069 D HA 0.437 5.077 4.640 0.000 0.000 0.271 1069 D C -1.493 174.578 176.300 -0.382 0.000 1.254 1069 D CA -0.356 53.471 54.000 -0.287 0.000 0.810 1069 D CB 3.382 43.969 40.800 -0.355 0.000 1.351 1069 D HN -0.242 nan 8.370 nan 0.000 0.427 1070 I N 1.537 121.784 120.570 -0.538 0.000 2.571 1070 I HA 0.457 4.627 4.170 0.000 0.000 0.289 1070 I C -1.671 174.177 176.117 -0.448 0.000 1.115 1070 I CA -0.396 60.678 61.300 -0.376 0.000 1.045 1070 I CB 1.182 39.087 38.000 -0.159 0.000 1.238 1070 I HN 0.245 nan 8.210 nan 0.000 0.424 1071 F N 5.347 125.402 119.950 0.174 0.000 2.654 1071 F HA 0.704 5.231 4.527 0.000 0.000 0.334 1071 F C 0.053 175.978 175.800 0.209 0.000 1.078 1071 F CA -0.681 57.433 58.000 0.191 0.000 0.986 1071 F CB 1.198 40.333 39.000 0.225 0.000 1.362 1071 F HN 0.288 nan 8.300 nan 0.000 0.498 1072 E N 0.557 120.979 120.200 0.370 0.000 2.372 1072 E HA 0.302 4.653 4.350 0.000 0.000 0.279 1072 E C -1.608 175.050 176.600 0.096 0.000 0.946 1072 E CA -0.421 56.067 56.400 0.147 0.000 0.769 1072 E CB 2.114 31.863 29.700 0.082 0.000 1.230 1072 E HN 0.730 nan 8.360 nan 0.000 0.442 1073 N N 1.731 120.444 118.700 0.021 0.000 2.527 1073 N HA 0.129 4.869 4.740 0.000 0.000 0.279 1073 N C 0.553 176.064 175.510 0.003 0.000 1.571 1073 N CA 0.872 53.943 53.050 0.034 0.000 0.858 1073 N CB 0.451 38.983 38.487 0.074 0.000 1.422 1073 N HN 0.648 nan 8.380 nan 0.000 0.491 1074 Q N -0.610 119.155 119.800 -0.058 0.000 4.405 1074 Q HA -0.200 4.140 4.340 0.000 0.000 0.239 1074 Q C 1.559 177.498 176.000 -0.102 0.000 2.552 1074 Q CA 2.513 58.274 55.803 -0.070 0.000 0.340 1074 Q CB -2.455 26.267 28.738 -0.027 0.000 0.222 1074 Q HN 0.875 nan 8.270 nan 0.000 0.578 1075 G N -1.783 106.996 108.800 -0.035 0.000 2.576 1075 G HA2 0.509 4.470 3.960 0.000 0.000 0.210 1075 G HA3 0.509 4.470 3.960 0.000 0.000 0.210 1075 G C 0.527 175.271 174.900 -0.260 0.000 1.143 1075 G CA 0.743 45.801 45.100 -0.071 0.000 0.819 1075 G HN 0.783 nan 8.290 nan 0.000 0.534 1076 F N -1.044 118.801 119.950 -0.175 0.000 2.588 1076 F HA 0.630 5.157 4.527 0.000 0.000 0.314 1076 F C -0.691 174.978 175.800 -0.217 0.000 1.069 1076 F CA -1.291 56.620 58.000 -0.147 0.000 0.931 1076 F CB 2.125 41.103 39.000 -0.036 0.000 1.260 1076 F HN -0.158 nan 8.300 nan 0.000 0.465 1077 F N 0.754 120.811 119.950 0.179 0.000 2.379 1077 F HA 0.485 5.012 4.527 0.000 0.000 0.332 1077 F C -0.301 175.585 175.800 0.143 0.000 1.096 1077 F CA -0.592 57.486 58.000 0.129 0.000 1.105 1077 F CB 1.314 40.339 39.000 0.041 0.000 1.189 1077 F HN 0.273 nan 8.300 nan 0.000 0.515 1078 Q N 3.101 123.077 119.800 0.293 0.000 2.381 1078 Q HA 0.382 4.722 4.340 0.000 0.000 0.263 1078 Q C -0.965 175.019 176.000 -0.026 0.000 1.030 1078 Q CA -0.145 55.683 55.803 0.042 0.000 0.772 1078 Q CB 1.836 30.579 28.738 0.009 0.000 1.232 1078 Q HN 0.532 nan 8.270 nan 0.000 0.476 1079 L N 3.734 124.879 121.223 -0.129 0.000 2.261 1079 L HA 0.494 4.834 4.340 0.000 0.000 0.289 1079 L C -1.045 175.706 176.870 -0.200 0.000 1.059 1079 L CA -0.761 53.990 54.840 -0.148 0.000 0.816 1079 L CB 0.713 42.701 42.059 -0.117 0.000 1.191 1079 L HN 0.389 nan 8.230 nan 0.000 0.431 1080 V N 6.418 126.206 119.914 -0.210 0.000 2.370 1080 V HA 0.436 4.556 4.120 0.000 0.000 0.279 1080 V C 0.302 176.288 176.094 -0.179 0.000 1.029 1080 V CA -0.308 61.844 62.300 -0.246 0.000 0.870 1080 V CB 1.572 33.154 31.823 -0.401 0.000 0.984 1080 V HN 0.807 nan 8.190 nan 0.000 0.451 1081 M N 3.119 122.635 119.600 -0.139 0.000 2.796 1081 M HA 0.551 5.032 4.480 0.000 0.000 0.303 1081 M C 0.004 176.268 176.300 -0.060 0.000 1.240 1081 M CA -0.837 54.410 55.300 -0.088 0.000 0.831 1081 M CB 1.655 34.217 32.600 -0.063 0.000 1.750 1081 M HN 0.743 nan 8.290 nan 0.000 0.484 1082 E N 0.721 120.903 120.200 -0.031 0.000 2.408 1082 E HA 0.157 4.507 4.350 0.000 0.000 0.259 1082 E C -0.877 175.731 176.600 0.013 0.000 1.110 1082 E CA -0.615 55.783 56.400 -0.003 0.000 0.929 1082 E CB 0.831 30.536 29.700 0.008 0.000 0.971 1082 E HN 0.449 nan 8.360 nan 0.000 0.438 1083 K N 1.919 122.331 120.400 0.020 0.000 2.300 1083 K HA 0.078 4.399 4.320 0.000 0.000 0.264 1083 K C -1.187 175.429 176.600 0.026 0.000 1.083 1083 K CA -0.591 55.710 56.287 0.024 0.000 0.958 1083 K CB 0.207 32.715 32.500 0.012 0.000 1.318 1083 K HN 0.548 nan 8.250 nan 0.000 0.448 1084 H N 3.217 122.255 119.070 -0.053 0.000 2.955 1084 H HA 0.228 4.784 4.556 0.000 0.000 0.290 1084 H C 0.795 176.060 175.328 -0.104 0.000 1.047 1084 H CA 1.784 57.785 56.048 -0.079 0.000 1.484 1084 H CB 0.405 30.124 29.762 -0.071 0.000 1.501 1084 H HN 0.943 nan 8.280 nan 0.000 0.521 1085 G N 3.174 111.701 108.800 -0.456 0.000 2.552 1085 G HA2 -0.328 3.633 3.960 0.000 0.000 0.265 1085 G HA3 -0.328 3.633 3.960 0.000 0.000 0.265 1085 G C 0.774 175.546 174.900 -0.213 0.000 1.234 1085 G CA 0.325 45.182 45.100 -0.405 0.000 0.944 1085 G HN 1.172 nan 8.290 nan 0.000 0.568 1086 S N 0.103 115.696 115.700 -0.179 0.000 2.622 1086 S HA 0.482 4.952 4.470 0.000 0.000 0.236 1086 S C 1.676 176.255 174.600 -0.035 0.000 0.956 1086 S CA 0.992 59.142 58.200 -0.084 0.000 0.971 1086 S CB 0.110 63.276 63.200 -0.056 0.000 0.782 1086 S HN 2.784 nan 8.310 nan 0.000 0.468 1087 G N 0.999 109.779 108.800 -0.032 0.000 2.272 1087 G HA2 -0.229 3.731 3.960 0.000 0.000 0.280 1087 G HA3 -0.229 3.731 3.960 0.000 0.000 0.280 1087 G C -0.357 174.559 174.900 0.027 0.000 1.067 1087 G CA 0.214 45.319 45.100 0.009 0.000 0.902 1087 G HN 0.734 nan 8.290 nan 0.000 0.500 1088 L N 1.500 122.733 121.223 0.016 0.000 2.255 1088 L HA 0.644 4.984 4.340 0.000 0.000 0.289 1088 L C 0.411 177.334 176.870 0.087 0.000 1.046 1088 L CA -0.756 54.120 54.840 0.060 0.000 0.816 1088 L CB 0.767 42.845 42.059 0.032 0.000 1.197 1088 L HN 0.397 nan 8.230 nan 0.000 0.427 1089 D N 2.719 123.198 120.400 0.133 0.000 2.432 1089 D HA 0.162 4.803 4.640 0.000 0.000 0.258 1089 D C 0.879 177.315 176.300 0.226 0.000 1.146 1089 D CA -0.609 53.480 54.000 0.149 0.000 1.015 1089 D CB 0.789 41.671 40.800 0.138 0.000 1.107 1089 D HN 0.363 nan 8.370 nan 0.000 0.529 1090 L N -0.320 121.037 121.223 0.223 0.000 2.217 1090 L HA 0.095 4.435 4.340 0.000 0.000 0.211 1090 L C 1.672 178.757 176.870 0.358 0.000 1.107 1090 L CA 1.089 56.105 54.840 0.294 0.000 0.783 1090 L CB -0.755 41.433 42.059 0.216 0.000 0.919 1090 L HN 0.603 nan 8.230 nan 0.000 0.442 1091 F N -0.157 119.903 119.950 0.184 0.000 2.134 1091 F HA -0.193 4.334 4.527 0.000 0.000 0.299 1091 F C 2.254 178.147 175.800 0.156 0.000 1.097 1091 F CA 1.453 59.549 58.000 0.159 0.000 1.264 1091 F CB -0.161 38.912 39.000 0.122 0.000 1.001 1091 F HN 0.080 nan 8.300 nan 0.000 0.479 1092 A N -0.695 122.355 122.820 0.383 0.000 2.016 1092 A HA -0.085 4.235 4.320 0.000 0.000 0.217 1092 A C 1.985 179.762 177.584 0.321 0.000 1.162 1092 A CA 0.876 53.091 52.037 0.297 0.000 0.662 1092 A CB -1.344 17.837 19.000 0.302 0.000 0.812 1092 A HN 0.510 nan 8.150 nan 0.000 0.450 1093 F N 0.770 120.840 119.950 0.201 0.000 2.075 1093 F HA -0.139 4.388 4.527 0.000 0.000 0.297 1093 F C 1.851 177.765 175.800 0.190 0.000 1.113 1093 F CA 1.763 59.912 58.000 0.249 0.000 1.218 1093 F CB -0.298 38.797 39.000 0.158 0.000 0.984 1093 F HN 0.160 nan 8.300 nan 0.000 0.472 1094 I N 0.346 120.937 120.570 0.034 0.000 2.286 1094 I HA -0.300 3.870 4.170 0.000 0.000 0.248 1094 I C 1.993 177.943 176.117 -0.278 0.000 1.115 1094 I CA 1.890 63.100 61.300 -0.150 0.000 1.392 1094 I CB -0.545 37.419 38.000 -0.060 0.000 1.065 1094 I HN 0.164 nan 8.210 nan 0.000 0.418 1095 D N 0.447 120.672 120.400 -0.291 0.000 2.178 1095 D HA -0.163 4.478 4.640 0.000 0.000 0.201 1095 D C 2.070 178.055 176.300 -0.526 0.000 0.980 1095 D CA 0.897 54.660 54.000 -0.394 0.000 0.842 1095 D CB 0.144 40.799 40.800 -0.241 0.000 0.948 1095 D HN 0.050 nan 8.370 nan 0.000 0.472 1096 R N -0.079 120.183 120.500 -0.396 0.000 2.313 1096 R HA -0.005 4.335 4.340 0.000 0.000 0.199 1096 R C -0.150 175.890 176.300 -0.432 0.000 0.958 1096 R CA 0.172 55.996 56.100 -0.460 0.000 1.047 1096 R CB -0.344 29.606 30.300 -0.583 0.000 0.955 1096 R HN 0.416 nan 8.270 nan 0.000 0.481 1097 H N -0.159 118.755 119.070 -0.259 0.000 2.604 1097 H HA -0.088 4.469 4.556 0.000 0.000 0.324 1097 H C -2.060 173.097 175.328 -0.285 0.000 1.068 1097 H CA 0.120 56.022 56.048 -0.244 0.000 1.091 1097 H CB -1.649 27.998 29.762 -0.192 0.000 1.611 1097 H HN 0.290 nan 8.280 nan 0.000 0.387 1098 P HA 0.108 nan 4.420 nan 0.000 0.272 1098 P C 0.466 177.662 177.300 -0.172 0.000 1.223 1098 P CA -0.323 62.593 63.100 -0.307 0.000 0.784 1098 P CB 0.829 32.165 31.700 -0.607 0.000 0.923 1099 R N 2.504 122.936 120.500 -0.113 0.000 2.878 1099 R HA 0.260 4.600 4.340 0.000 0.000 0.239 1099 R C -0.464 175.822 176.300 -0.023 0.000 1.515 1099 R CA -0.042 56.022 56.100 -0.060 0.000 1.210 1099 R CB -1.068 29.214 30.300 -0.030 0.000 1.209 1099 R HN 0.443 nan 8.270 nan 0.000 0.610 1100 L N 5.018 126.215 121.223 -0.042 0.000 2.343 1100 L HA 0.363 4.703 4.340 0.000 0.000 0.278 1100 L C -1.002 175.862 176.870 -0.011 0.000 0.996 1100 L CA -0.817 54.011 54.840 -0.020 0.000 0.831 1100 L CB 1.298 43.368 42.059 0.018 0.000 1.232 1100 L HN 0.672 nan 8.230 nan 0.000 0.413 1101 D N 2.625 123.006 120.400 -0.032 0.000 2.387 1101 D HA 0.137 4.777 4.640 0.000 0.000 0.255 1101 D C 0.637 176.942 176.300 0.010 0.000 1.081 1101 D CA -0.496 53.515 54.000 0.019 0.000 0.994 1101 D CB 0.968 41.808 40.800 0.068 0.000 1.127 1101 D HN 0.490 nan 8.370 nan 0.000 0.513 1102 E N -0.226 120.023 120.200 0.081 0.000 2.085 1102 E HA -0.137 4.213 4.350 0.000 0.000 0.194 1102 E C -0.894 175.621 176.600 -0.141 0.000 0.994 1102 E CA 1.316 57.800 56.400 0.139 0.000 0.801 1102 E CB -0.998 28.881 29.700 0.297 0.000 0.743 1102 E HN 0.475 nan 8.360 nan 0.000 0.453 1103 P HA -0.169 nan 4.420 nan 0.000 0.215 1103 P C 1.525 178.661 177.300 -0.274 0.000 1.153 1103 P CA 0.891 63.860 63.100 -0.217 0.000 0.853 1103 P CB 0.031 31.715 31.700 -0.027 0.000 0.788 1104 L N -0.486 120.495 121.223 -0.404 0.000 2.072 1104 L HA 0.016 4.356 4.340 0.000 0.000 0.205 1104 L C 2.260 179.003 176.870 -0.212 0.000 1.079 1104 L CA 1.758 56.278 54.840 -0.533 0.000 0.752 1104 L CB -1.522 39.948 42.059 -0.982 0.000 0.906 1104 L HN -0.136 nan 8.230 nan 0.000 0.436 1105 A N -1.761 120.996 122.820 -0.105 0.000 1.940 1105 A HA -0.229 4.092 4.320 0.000 0.000 0.219 1105 A C 2.530 180.161 177.584 0.079 0.000 1.176 1105 A CA 1.955 54.032 52.037 0.068 0.000 0.631 1105 A CB -0.972 18.138 19.000 0.183 0.000 0.814 1105 A HN 0.486 nan 8.150 nan 0.000 0.446 1106 S N -2.375 113.176 115.700 -0.249 0.000 2.406 1106 S HA -0.107 4.363 4.470 0.000 0.000 0.228 1106 S C 1.810 176.345 174.600 -0.109 0.000 1.020 1106 S CA 1.132 59.031 58.200 -0.501 0.000 0.965 1106 S CB -0.469 62.008 63.200 -1.205 0.000 0.798 1106 S HN 0.662 nan 8.310 nan 0.000 0.488 1107 Y N 2.123 122.307 120.300 -0.194 0.000 2.200 1107 Y HA 0.008 4.559 4.550 0.000 0.000 0.290 1107 Y C 1.729 177.610 175.900 -0.032 0.000 1.137 1107 Y CA 1.375 59.407 58.100 -0.113 0.000 1.163 1107 Y CB -0.417 37.958 38.460 -0.143 0.000 0.988 1107 Y HN 0.278 nan 8.280 nan 0.000 0.518 1108 I N -1.261 119.248 120.570 -0.101 0.000 2.179 1108 I HA -0.295 3.875 4.170 0.000 0.000 0.242 1108 I C 2.148 178.258 176.117 -0.012 0.000 1.088 1108 I CA 1.537 62.775 61.300 -0.104 0.000 1.357 1108 I CB -0.571 37.438 38.000 0.014 0.000 1.051 1108 I HN 0.195 nan 8.210 nan 0.000 0.409 1109 F N 2.566 122.491 119.950 -0.041 0.000 2.234 1109 F HA -0.159 4.368 4.527 0.000 0.000 0.299 1109 F C 2.750 178.546 175.800 -0.006 0.000 1.087 1109 F CA 1.386 59.403 58.000 0.029 0.000 1.340 1109 F CB -0.325 38.789 39.000 0.190 0.000 1.031 1109 F HN -0.026 nan 8.300 nan 0.000 0.500 1110 R N 0.223 120.653 120.500 -0.117 0.000 2.115 1110 R HA -0.144 4.196 4.340 0.000 0.000 0.230 1110 R C 1.785 177.955 176.300 -0.217 0.000 1.111 1110 R CA 1.627 57.609 56.100 -0.196 0.000 0.976 1110 R CB -1.020 29.235 30.300 -0.076 0.000 0.870 1110 R HN 0.367 nan 8.270 nan 0.000 0.445 1111 Q N 0.837 120.495 119.800 -0.236 0.000 2.124 1111 Q HA -0.127 4.214 4.340 0.000 0.000 0.202 1111 Q C 2.168 178.066 176.000 -0.170 0.000 0.977 1111 Q CA 1.324 57.011 55.803 -0.194 0.000 0.850 1111 Q CB -0.195 28.386 28.738 -0.261 0.000 0.901 1111 Q HN 0.256 nan 8.270 nan 0.000 0.429 1112 L N 0.427 121.518 121.223 -0.219 0.000 2.046 1112 L HA -0.139 4.202 4.340 0.000 0.000 0.208 1112 L C 2.105 178.801 176.870 -0.289 0.000 1.077 1112 L CA 1.464 56.167 54.840 -0.229 0.000 0.747 1112 L CB -0.546 41.405 42.059 -0.180 0.000 0.896 1112 L HN -0.014 nan 8.230 nan 0.000 0.432 1113 V N -0.658 119.001 119.914 -0.425 0.000 2.343 1113 V HA -0.281 3.839 4.120 0.000 0.000 0.247 1113 V C 2.578 178.563 176.094 -0.180 0.000 1.051 1113 V CA 1.875 63.966 62.300 -0.347 0.000 1.036 1113 V CB -0.809 30.762 31.823 -0.420 0.000 0.654 1113 V HN 0.537 nan 8.190 nan 0.000 0.451 1114 S N 0.446 116.068 115.700 -0.131 0.000 2.356 1114 S HA -0.204 4.266 4.470 0.000 0.000 0.223 1114 S C 2.252 176.759 174.600 -0.155 0.000 1.032 1114 S CA 1.476 59.660 58.200 -0.026 0.000 1.005 1114 S CB -0.624 62.630 63.200 0.089 0.000 0.867 1114 S HN 0.661 nan 8.310 nan 0.000 0.449 1115 A N 1.081 123.761 122.820 -0.234 0.000 1.940 1115 A HA -0.075 4.245 4.320 0.000 0.000 0.219 1115 A C 2.345 179.793 177.584 -0.227 0.000 1.176 1115 A CA 1.674 53.461 52.037 -0.417 0.000 0.631 1115 A CB -0.856 18.027 19.000 -0.196 0.000 0.814 1115 A HN 0.360 nan 8.150 nan 0.000 0.446 1116 V N -0.363 119.457 119.914 -0.157 0.000 2.379 1116 V HA -0.100 4.020 4.120 0.000 0.000 0.245 1116 V C 2.835 178.894 176.094 -0.058 0.000 1.044 1116 V CA 1.702 63.944 62.300 -0.097 0.000 1.036 1116 V CB -1.432 30.328 31.823 -0.105 0.000 0.664 1116 V HN 0.598 nan 8.190 nan 0.000 0.453 1117 G N -0.898 107.869 108.800 -0.055 0.000 2.469 1117 G HA2 -0.374 3.587 3.960 0.000 0.000 0.219 1117 G HA3 -0.374 3.587 3.960 0.000 0.000 0.219 1117 G C 1.552 176.459 174.900 0.011 0.000 1.150 1117 G CA 1.394 46.487 45.100 -0.013 0.000 0.763 1117 G HN 0.586 nan 8.290 nan 0.000 0.561 1118 Y N 1.206 121.431 120.300 -0.126 0.000 2.128 1118 Y HA -0.076 4.474 4.550 0.000 0.000 0.284 1118 Y C 2.512 178.383 175.900 -0.048 0.000 1.154 1118 Y CA 1.660 59.704 58.100 -0.093 0.000 1.149 1118 Y CB -0.317 38.010 38.460 -0.223 0.000 0.976 1118 Y HN 0.125 nan 8.280 nan 0.000 0.505 1119 L N -0.133 121.006 121.223 -0.139 0.000 2.141 1119 L HA -0.146 4.194 4.340 0.000 0.000 0.209 1119 L C 2.596 179.392 176.870 -0.123 0.000 1.094 1119 L CA 1.335 56.080 54.840 -0.158 0.000 0.763 1119 L CB -0.540 41.539 42.059 0.033 0.000 0.908 1119 L HN 0.093 nan 8.230 nan 0.000 0.437 1120 R N 0.829 121.285 120.500 -0.074 0.000 2.073 1120 R HA -0.184 4.156 4.340 0.000 0.000 0.234 1120 R C 2.125 178.397 176.300 -0.048 0.000 1.134 1120 R CA 1.603 57.682 56.100 -0.034 0.000 0.952 1120 R CB -0.861 29.433 30.300 -0.010 0.000 0.850 1120 R HN 0.186 nan 8.270 nan 0.000 0.433 1121 L N 0.693 121.865 121.223 -0.086 0.000 2.127 1121 L HA -0.128 4.212 4.340 0.000 0.000 0.211 1121 L C 1.380 178.182 176.870 -0.113 0.000 1.089 1121 L CA 1.834 56.621 54.840 -0.088 0.000 0.757 1121 L CB -0.167 41.835 42.059 -0.095 0.000 0.899 1121 L HN 0.074 nan 8.230 nan 0.000 0.434 1122 K N -0.318 119.965 120.400 -0.196 0.000 2.458 1122 K HA 0.003 4.323 4.320 0.000 0.000 0.194 1122 K C -0.019 176.593 176.600 0.021 0.000 1.024 1122 K CA 0.591 56.796 56.287 -0.137 0.000 1.108 1122 K CB -0.152 32.181 32.500 -0.278 0.000 0.846 1122 K HN 0.305 nan 8.250 nan 0.000 0.518 1123 D N 0.294 120.711 120.400 0.028 0.000 3.012 1123 D HA -0.182 4.458 4.640 0.000 0.000 0.222 1123 D C -0.588 175.780 176.300 0.115 0.000 1.167 1123 D CA 0.740 54.804 54.000 0.106 0.000 0.854 1123 D CB -1.275 39.621 40.800 0.159 0.000 1.107 1123 D HN 0.295 nan 8.370 nan 0.000 0.421 1124 I N 0.422 120.987 120.570 -0.008 0.000 2.353 1124 I HA 0.378 4.548 4.170 0.000 0.000 0.293 1124 I C 0.206 176.290 176.117 -0.054 0.000 0.992 1124 I CA -0.879 60.342 61.300 -0.132 0.000 1.268 1124 I CB 1.327 39.220 38.000 -0.178 0.000 1.387 1124 I HN -0.088 nan 8.210 nan 0.000 0.478 1125 I N 5.854 126.381 120.570 -0.072 0.000 2.382 1125 I HA 0.178 4.348 4.170 0.000 0.000 0.286 1125 I C 1.168 177.216 176.117 -0.116 0.000 1.002 1125 I CA 0.014 61.281 61.300 -0.054 0.000 1.135 1125 I CB 0.826 38.810 38.000 -0.025 0.000 1.288 1125 I HN 0.567 nan 8.210 nan 0.000 0.448 1126 H N 7.275 126.214 119.070 -0.218 0.000 2.321 1126 H HA -0.052 4.504 4.556 0.000 0.000 0.300 1126 H C 0.963 176.109 175.328 -0.303 0.000 1.087 1126 H CA 2.398 58.227 56.048 -0.364 0.000 1.319 1126 H CB 0.432 29.909 29.762 -0.476 0.000 1.379 1126 H HN 0.721 nan 8.280 nan 0.000 0.501 1127 R N -1.067 119.379 120.500 -0.091 0.000 3.489 1127 R HA -0.154 4.187 4.340 0.000 0.000 0.489 1127 R C -0.500 175.733 176.300 -0.111 0.000 0.770 1127 R CA 1.155 57.171 56.100 -0.139 0.000 1.404 1127 R CB -1.430 28.724 30.300 -0.242 0.000 2.091 1127 R HN 0.302 nan 8.270 nan 0.000 0.456 1128 D N 0.480 120.881 120.400 0.003 0.000 2.945 1128 D HA 0.290 4.930 4.640 0.000 0.000 0.369 1128 D C -0.595 175.687 176.300 -0.030 0.000 1.294 1128 D CA -0.248 53.725 54.000 -0.044 0.000 0.778 1128 D CB 0.321 41.048 40.800 -0.122 0.000 1.188 1128 D HN 0.158 nan 8.370 nan 0.000 0.479 1129 I N 2.240 122.758 120.570 -0.086 0.000 2.436 1129 I HA 0.162 4.332 4.170 0.000 0.000 0.289 1129 I C 0.482 176.386 176.117 -0.354 0.000 1.083 1129 I CA 0.331 61.498 61.300 -0.221 0.000 1.372 1129 I CB 0.154 38.058 38.000 -0.160 0.000 1.408 1129 I HN 0.057 nan 8.210 nan 0.000 0.516 1130 K N 3.140 123.323 120.400 -0.362 0.000 2.607 1130 K HA 0.257 4.578 4.320 0.000 0.000 0.287 1130 K C -0.254 176.286 176.600 -0.100 0.000 0.996 1130 K CA -0.832 55.167 56.287 -0.481 0.000 0.876 1130 K CB 0.954 32.866 32.500 -0.980 0.000 1.496 1130 K HN 0.325 nan 8.250 nan 0.000 0.415 1131 D N 0.818 121.278 120.400 0.101 0.000 2.158 1131 D HA -0.241 4.399 4.640 0.000 0.000 0.197 1131 D C 0.937 177.345 176.300 0.179 0.000 0.995 1131 D CA 1.609 55.730 54.000 0.201 0.000 0.846 1131 D CB -0.195 40.804 40.800 0.332 0.000 0.941 1131 D HN 0.696 nan 8.370 nan 0.000 0.456 1132 E N -0.424 119.859 120.200 0.138 0.000 2.268 1132 E HA -0.062 4.288 4.350 0.000 0.000 0.195 1132 E C 0.720 177.337 176.600 0.027 0.000 0.995 1132 E CA 0.538 56.979 56.400 0.067 0.000 0.836 1132 E CB -0.086 29.586 29.700 -0.046 0.000 0.763 1132 E HN 0.262 nan 8.360 nan 0.000 0.491 1133 N N 0.196 118.891 118.700 -0.008 0.000 2.251 1133 N HA 0.184 4.924 4.740 0.000 0.000 0.217 1133 N C -0.653 174.832 175.510 -0.041 0.000 1.124 1133 N CA 0.289 53.325 53.050 -0.023 0.000 0.843 1133 N CB 0.679 39.139 38.487 -0.045 0.000 1.024 1133 N HN 0.066 nan 8.380 nan 0.000 0.501 1134 I N 0.460 121.027 120.570 -0.005 0.000 2.478 1134 I HA 0.263 4.433 4.170 0.000 0.000 0.287 1134 I C -0.680 175.453 176.117 0.026 0.000 1.042 1134 I CA -0.844 60.448 61.300 -0.013 0.000 1.067 1134 I CB 2.498 40.490 38.000 -0.014 0.000 1.233 1134 I HN -0.360 nan 8.210 nan 0.000 0.431 1135 V N 7.019 126.942 119.914 0.016 0.000 2.427 1135 V HA 0.445 4.565 4.120 0.000 0.000 0.286 1135 V C -0.118 176.045 176.094 0.115 0.000 1.034 1135 V CA -0.559 61.784 62.300 0.071 0.000 0.893 1135 V CB 1.982 33.865 31.823 0.100 0.000 0.982 1135 V HN 0.527 nan 8.190 nan 0.000 0.452 1136 I N 3.971 124.581 120.570 0.066 0.000 2.404 1136 I HA 0.790 4.961 4.170 0.000 0.000 0.293 1136 I C 0.383 176.382 176.117 -0.197 0.000 0.992 1136 I CA -0.266 61.023 61.300 -0.018 0.000 1.149 1136 I CB 1.521 39.414 38.000 -0.178 0.000 1.315 1136 I HN 0.751 nan 8.210 nan 0.000 0.446 1137 A N 5.358 127.963 122.820 -0.358 0.000 2.247 1137 A HA 0.430 4.750 4.320 0.000 0.000 0.313 1137 A C 0.745 177.700 177.584 -1.048 0.000 1.109 1137 A CA -0.353 51.249 52.037 -0.726 0.000 0.890 1137 A CB 0.548 19.016 19.000 -0.885 0.000 1.239 1137 A HN 0.823 nan 8.150 nan 0.000 0.506 1138 E N -0.047 119.396 120.200 -1.261 0.000 2.268 1138 E HA -0.141 4.210 4.350 0.000 0.000 0.195 1138 E C -0.006 175.980 176.600 -1.023 0.000 0.995 1138 E CA 1.087 56.450 56.400 -1.730 0.000 0.836 1138 E CB 0.012 28.899 29.700 -1.356 0.000 0.763 1138 E HN 0.725 nan 8.360 nan 0.000 0.491 1139 D N -0.547 119.475 120.400 -0.629 0.000 2.395 1139 D HA -0.066 4.574 4.640 0.000 0.000 0.226 1139 D C -0.046 176.236 176.300 -0.029 0.000 1.146 1139 D CA -0.400 53.425 54.000 -0.292 0.000 0.830 1139 D CB -0.489 40.238 40.800 -0.121 0.000 0.958 1139 D HN 0.059 nan 8.370 nan 0.000 0.501 1140 F N -0.646 119.330 119.950 0.044 0.000 2.987 1140 F HA -0.262 4.265 4.527 0.000 0.000 0.309 1140 F C 0.572 176.428 175.800 0.092 0.000 0.724 1140 F CA 0.858 58.927 58.000 0.115 0.000 1.079 1140 F CB -2.737 36.416 39.000 0.255 0.000 1.432 1140 F HN -0.072 nan 8.300 nan 0.000 0.351 1141 T N 2.446 117.115 114.554 0.192 0.000 2.919 1141 T HA 0.532 4.882 4.350 0.000 0.000 0.302 1141 T C 0.311 175.119 174.700 0.179 0.000 1.031 1141 T CA 0.273 62.453 62.100 0.134 0.000 1.127 1141 T CB 1.150 70.120 68.868 0.171 0.000 0.952 1141 T HN 0.324 nan 8.240 nan 0.000 0.540 1142 I N -0.370 120.193 120.570 -0.012 0.000 2.785 1142 I HA 0.896 5.066 4.170 0.000 0.000 0.302 1142 I C -0.783 175.149 176.117 -0.307 0.000 1.069 1142 I CA -1.216 60.027 61.300 -0.095 0.000 1.045 1142 I CB 2.032 39.979 38.000 -0.088 0.000 1.236 1142 I HN 0.217 nan 8.210 nan 0.000 0.429 1143 K N 3.121 123.298 120.400 -0.372 0.000 2.371 1143 K HA 0.647 4.968 4.320 0.000 0.000 0.251 1143 K C -1.483 175.037 176.600 -0.133 0.000 0.934 1143 K CA -0.647 55.461 56.287 -0.298 0.000 0.798 1143 K CB 1.905 34.147 32.500 -0.431 0.000 1.204 1143 K HN 0.695 nan 8.250 nan 0.000 0.427 1144 L N 5.301 126.483 121.223 -0.067 0.000 2.319 1144 L HA 0.475 4.815 4.340 0.000 0.000 0.280 1144 L C -0.624 176.324 176.870 0.130 0.000 1.099 1144 L CA 0.168 54.985 54.840 -0.039 0.000 0.828 1144 L CB -0.073 41.941 42.059 -0.076 0.000 1.150 1144 L HN 0.656 nan 8.230 nan 0.000 0.442 1145 I N 0.241 120.871 120.570 0.099 0.000 3.436 1145 I HA 0.627 4.798 4.170 0.000 0.000 0.300 1145 I C -0.397 175.888 176.117 0.281 0.000 1.131 1145 I CA -1.054 60.373 61.300 0.213 0.000 1.001 1145 I CB 1.298 39.362 38.000 0.106 0.000 1.305 1145 I HN 0.517 nan 8.210 nan 0.000 0.494 1146 D N 0.840 121.390 120.400 0.250 0.000 3.082 1146 D HA -0.229 4.411 4.640 0.000 0.000 0.234 1146 D C -0.582 175.727 176.300 0.015 0.000 1.159 1146 D CA 0.632 54.718 54.000 0.143 0.000 0.875 1146 D CB -0.820 40.018 40.800 0.062 0.000 0.946 1146 D HN 0.535 nan 8.370 nan 0.000 0.411 1147 F N 0.044 119.923 119.950 -0.119 0.000 2.696 1147 F HA 0.340 4.867 4.527 0.000 0.000 0.296 1147 F C 2.236 177.881 175.800 -0.260 0.000 1.181 1147 F CA 0.379 58.209 58.000 -0.283 0.000 1.411 1147 F CB 0.266 39.171 39.000 -0.158 0.000 1.014 1147 F HN 0.349 nan 8.300 nan 0.000 0.512 1148 G N -1.177 107.561 108.800 -0.103 0.000 2.598 1148 G HA2 -0.134 3.826 3.960 0.000 0.000 0.215 1148 G HA3 -0.134 3.826 3.960 0.000 0.000 0.215 1148 G C 1.620 176.435 174.900 -0.141 0.000 1.131 1148 G CA 0.637 45.683 45.100 -0.090 0.000 0.785 1148 G HN 0.334 nan 8.290 nan 0.000 0.539 1149 S N -0.309 115.243 115.700 -0.248 0.000 2.559 1149 S HA 0.532 5.002 4.470 0.000 0.000 0.226 1149 S C 1.254 175.689 174.600 -0.274 0.000 1.000 1149 S CA -0.017 58.034 58.200 -0.250 0.000 0.948 1149 S CB 0.396 63.424 63.200 -0.286 0.000 0.870 1149 S HN 0.578 nan 8.310 nan 0.000 0.497 1150 A N 1.719 124.349 122.820 -0.316 0.000 2.531 1150 A HA 0.652 4.973 4.320 0.000 0.000 0.236 1150 A C 0.320 177.800 177.584 -0.174 0.000 1.062 1150 A CA 0.371 52.242 52.037 -0.276 0.000 0.760 1150 A CB 0.018 18.924 19.000 -0.157 0.000 0.995 1150 A HN 0.541 nan 8.150 nan 0.000 0.501 1151 A N 1.431 124.140 122.820 -0.185 0.000 2.609 1151 A HA 0.680 5.001 4.320 0.000 0.000 0.291 1151 A C -1.316 176.220 177.584 -0.079 0.000 1.096 1151 A CA -0.579 51.415 52.037 -0.071 0.000 0.684 1151 A CB 0.648 19.665 19.000 0.029 0.000 1.282 1151 A HN 0.741 nan 8.150 nan 0.000 0.412 1152 Y N 0.207 120.613 120.300 0.177 0.000 2.320 1152 Y HA 0.518 5.069 4.550 0.000 0.000 0.324 1152 Y C 0.322 176.373 175.900 0.251 0.000 1.190 1152 Y CA -0.418 57.778 58.100 0.160 0.000 1.215 1152 Y CB 1.040 39.555 38.460 0.091 0.000 1.221 1152 Y HN 0.488 nan 8.280 nan 0.000 0.486 1153 L N 2.663 124.096 121.223 0.350 0.000 2.397 1153 L HA 0.492 4.832 4.340 0.000 0.000 0.271 1153 L C 0.160 177.117 176.870 0.145 0.000 1.148 1153 L CA -0.303 54.691 54.840 0.257 0.000 0.825 1153 L CB 0.399 42.576 42.059 0.197 0.000 1.117 1153 L HN 0.821 nan 8.230 nan 0.000 0.456 1154 E N 1.694 121.919 120.200 0.042 0.000 2.290 1154 E HA 0.690 5.040 4.350 0.000 0.000 0.274 1154 E C -0.120 176.462 176.600 -0.031 0.000 0.889 1154 E CA -0.580 55.814 56.400 -0.009 0.000 0.760 1154 E CB 0.819 30.489 29.700 -0.050 0.000 1.206 1154 E HN 0.744 nan 8.360 nan 0.000 0.419 1155 R N 0.064 120.555 120.500 -0.015 0.000 2.480 1155 R HA 0.526 4.866 4.340 0.000 0.000 0.303 1155 R C 1.625 177.908 176.300 -0.029 0.000 0.985 1155 R CA 1.167 57.259 56.100 -0.014 0.000 1.051 1155 R CB -0.806 29.489 30.300 -0.007 0.000 0.935 1155 R HN 2.490 nan 8.270 nan 0.000 0.410 1156 G N -0.088 108.695 108.800 -0.029 0.000 2.241 1156 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 1156 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 1156 G C 0.499 175.367 174.900 -0.054 0.000 0.998 1156 G CA 0.507 45.588 45.100 -0.032 0.000 0.621 1156 G HN 1.175 nan 8.290 nan 0.000 0.519 1157 K N 0.789 121.132 120.400 -0.096 0.000 2.227 1157 K HA 0.758 5.078 4.320 0.000 0.000 0.280 1157 K C 0.210 176.657 176.600 -0.255 0.000 1.041 1157 K CA -0.509 55.676 56.287 -0.169 0.000 0.905 1157 K CB 0.556 32.916 32.500 -0.234 0.000 1.068 1157 K HN 0.477 nan 8.250 nan 0.000 0.470 1158 L N 4.475 125.569 121.223 -0.216 0.000 2.317 1158 L HA 0.577 4.917 4.340 0.000 0.000 0.281 1158 L C -0.203 176.433 176.870 -0.389 0.000 1.024 1158 L CA -1.014 53.650 54.840 -0.293 0.000 0.810 1158 L CB 1.364 43.277 42.059 -0.244 0.000 1.240 1158 L HN 0.615 nan 8.230 nan 0.000 0.427 1159 F N 1.808 121.463 119.950 -0.491 0.000 2.467 1159 F HA 0.105 4.632 4.527 0.000 0.000 0.362 1159 F C 0.614 176.131 175.800 -0.471 0.000 1.090 1159 F CA 0.217 57.907 58.000 -0.517 0.000 1.202 1159 F CB 0.267 38.725 39.000 -0.904 0.000 1.113 1159 F HN 0.343 nan 8.300 nan 0.000 0.541 1160 Y N 0.264 120.548 120.300 -0.026 0.000 2.457 1160 Y HA 0.094 4.644 4.550 0.000 0.000 0.263 1160 Y C 0.991 176.959 175.900 0.113 0.000 1.164 1160 Y CA -0.165 57.952 58.100 0.028 0.000 1.274 1160 Y CB 0.369 38.832 38.460 0.005 0.000 1.097 1160 Y HN 0.481 nan 8.280 nan 0.000 0.523 1161 T N -2.680 112.042 114.554 0.280 0.000 2.863 1161 T HA 0.391 4.741 4.350 0.000 0.000 0.285 1161 T C -1.121 173.822 174.700 0.404 0.000 1.009 1161 T CA -0.701 61.569 62.100 0.284 0.000 0.989 1161 T CB 1.820 70.808 68.868 0.200 0.000 1.004 1161 T HN -0.003 nan 8.240 nan 0.000 0.455 1162 F N 1.996 122.073 119.950 0.212 0.000 2.404 1162 F HA 0.546 5.074 4.527 0.000 0.000 0.354 1162 F C 0.275 176.124 175.800 0.081 0.000 1.122 1162 F CA -1.506 56.592 58.000 0.164 0.000 1.080 1162 F CB 0.629 39.676 39.000 0.079 0.000 1.131 1162 F HN 0.761 nan 8.300 nan 0.000 0.471 1163 C N 4.728 123.676 119.300 -0.586 0.000 3.336 1163 C HA 0.430 4.890 4.460 0.000 0.000 0.291 1163 C C 1.440 176.009 174.990 -0.702 0.000 1.363 1163 C CA 0.075 58.793 59.018 -0.499 0.000 1.737 1163 C CB -0.905 26.694 27.740 -0.236 0.000 2.274 1163 C HN 1.008 nan 8.230 nan 0.000 0.663 1164 G N 0.722 108.715 108.800 -1.346 0.000 2.582 1164 G HA2 0.448 4.408 3.960 0.000 0.000 0.232 1164 G HA3 0.448 4.408 3.960 0.000 0.000 0.232 1164 G C -0.508 174.115 174.900 -0.461 0.000 1.458 1164 G CA 0.185 44.819 45.100 -0.776 0.000 1.062 1164 G HN 0.280 nan 8.290 nan 0.000 0.566 1165 T N 1.007 115.586 114.554 0.042 0.000 2.795 1165 T HA 0.244 4.594 4.350 0.000 0.000 0.282 1165 T C 1.316 176.351 174.700 0.559 0.000 0.980 1165 T CA -0.525 61.736 62.100 0.268 0.000 1.012 1165 T CB 1.658 70.674 68.868 0.246 0.000 0.936 1165 T HN 0.171 nan 8.240 nan 0.000 0.457 1166 I N 2.136 122.979 120.570 0.456 0.000 2.454 1166 I HA -0.065 4.105 4.170 0.000 0.000 0.254 1166 I C 1.977 178.222 176.117 0.213 0.000 1.156 1166 I CA 1.376 62.879 61.300 0.340 0.000 1.433 1166 I CB -0.618 37.519 38.000 0.229 0.000 1.082 1166 I HN 0.672 nan 8.210 nan 0.000 0.432 1167 E N -0.679 119.667 120.200 0.243 0.000 2.347 1167 E HA -0.153 4.198 4.350 0.000 0.000 0.196 1167 E C 0.991 177.594 176.600 0.006 0.000 1.008 1167 E CA 0.785 57.244 56.400 0.098 0.000 0.852 1167 E CB -0.142 29.573 29.700 0.025 0.000 0.783 1167 E HN 0.500 nan 8.360 nan 0.000 0.505 1168 Y N -1.581 118.873 120.300 0.257 0.000 2.555 1168 Y HA 0.228 4.779 4.550 0.000 0.000 0.259 1168 Y C 0.151 176.269 175.900 0.363 0.000 1.179 1168 Y CA -0.753 57.537 58.100 0.316 0.000 1.230 1168 Y CB 0.432 39.040 38.460 0.247 0.000 1.146 1168 Y HN -0.046 nan 8.280 nan 0.000 0.526 1169 C N 2.118 121.565 119.300 0.245 0.000 2.347 1169 C HA 0.787 5.247 4.460 0.000 0.000 0.353 1169 C C 1.018 175.676 174.990 -0.553 0.000 1.273 1169 C CA -0.991 57.896 59.018 -0.217 0.000 1.861 1169 C CB -1.192 26.168 27.740 -0.634 0.000 2.420 1169 C HN 0.514 nan 8.230 nan 0.000 0.542 1170 A N 7.823 130.144 122.820 -0.832 0.000 2.483 1170 A HA 0.356 4.676 4.320 0.000 0.000 0.238 1170 A C -1.347 175.643 177.584 -0.989 0.000 1.070 1170 A CA -0.573 50.643 52.037 -1.370 0.000 0.770 1170 A CB -0.060 18.494 19.000 -0.742 0.000 1.008 1170 A HN 0.780 nan 8.150 nan 0.000 0.497 1171 P HA -0.185 nan 4.420 nan 0.000 0.218 1171 P C 1.322 178.370 177.300 -0.421 0.000 1.149 1171 P CA 1.542 64.258 63.100 -0.640 0.000 0.817 1171 P CB 0.096 31.449 31.700 -0.578 0.000 0.785 1172 E N 0.025 119.997 120.200 -0.381 0.000 2.150 1172 E HA -0.091 4.260 4.350 0.000 0.000 0.193 1172 E C 1.783 178.257 176.600 -0.210 0.000 0.985 1172 E CA 1.266 57.522 56.400 -0.239 0.000 0.814 1172 E CB -1.381 28.213 29.700 -0.177 0.000 0.752 1172 E HN 0.104 nan 8.360 nan 0.000 0.466 1173 V N 1.716 121.462 119.914 -0.279 0.000 2.453 1173 V HA -0.168 3.953 4.120 0.000 0.000 0.247 1173 V C 2.691 178.619 176.094 -0.276 0.000 1.048 1173 V CA 1.151 63.299 62.300 -0.254 0.000 1.049 1173 V CB -0.550 31.039 31.823 -0.389 0.000 0.672 1173 V HN 0.150 nan 8.190 nan 0.000 0.457 1174 L N -0.772 120.242 121.223 -0.348 0.000 2.187 1174 L HA -0.170 4.171 4.340 0.000 0.000 0.213 1174 L C 2.375 179.137 176.870 -0.180 0.000 1.100 1174 L CA 1.418 56.091 54.840 -0.277 0.000 0.765 1174 L CB -0.342 41.539 42.059 -0.297 0.000 0.904 1174 L HN 0.331 nan 8.230 nan 0.000 0.437 1175 M N -1.365 118.132 119.600 -0.172 0.000 2.595 1175 M HA 0.094 4.574 4.480 0.000 0.000 0.248 1175 M C 1.429 177.681 176.300 -0.080 0.000 1.119 1175 M CA 1.024 56.253 55.300 -0.119 0.000 1.079 1175 M CB 0.251 32.778 32.600 -0.122 0.000 1.472 1175 M HN 0.466 nan 8.290 nan 0.000 0.501 1176 G N 0.750 109.504 108.800 -0.076 0.000 2.192 1176 G HA2 -0.181 3.779 3.960 0.000 0.000 0.193 1176 G HA3 -0.181 3.779 3.960 0.000 0.000 0.193 1176 G C -0.120 174.765 174.900 -0.025 0.000 0.999 1176 G CA -0.529 44.551 45.100 -0.033 0.000 0.659 1176 G HN 0.449 nan 8.290 nan 0.000 0.503 1177 N N 1.930 120.600 118.700 -0.050 0.000 2.530 1177 N HA 0.486 5.226 4.740 0.000 0.000 0.277 1177 N C -2.605 172.867 175.510 -0.063 0.000 1.168 1177 N CA -0.803 52.210 53.050 -0.061 0.000 0.979 1177 N CB 1.295 39.745 38.487 -0.063 0.000 1.141 1177 N HN 0.164 nan 8.380 nan 0.000 0.459 1178 P HA 0.238 nan 4.420 nan 0.000 0.276 1178 P C -1.123 176.138 177.300 -0.065 0.000 1.261 1178 P CA -0.128 62.806 63.100 -0.277 0.000 0.800 1178 P CB 0.374 31.548 31.700 -0.876 0.000 1.066 1179 Y N -2.665 117.593 120.300 -0.069 0.000 2.553 1179 Y HA 0.615 5.165 4.550 0.000 0.000 0.347 1179 Y C 1.142 177.129 175.900 0.144 0.000 1.019 1179 Y CA -1.243 56.873 58.100 0.027 0.000 1.032 1179 Y CB 1.192 39.679 38.460 0.044 0.000 1.284 1179 Y HN 0.153 nan 8.280 nan 0.000 0.466 1180 R N 0.713 121.363 120.500 0.250 0.000 2.093 1180 R HA 0.305 4.645 4.340 0.000 0.000 0.224 1180 R C 1.016 177.584 176.300 0.446 0.000 1.101 1180 R CA 1.805 58.040 56.100 0.225 0.000 0.979 1180 R CB -0.324 30.062 30.300 0.144 0.000 0.877 1180 R HN 1.240 nan 8.270 nan 0.000 0.441 1181 G N -1.349 107.754 108.800 0.505 0.000 3.826 1181 G HA2 -0.162 3.798 3.960 0.000 0.000 0.194 1181 G HA3 -0.162 3.798 3.960 0.000 0.000 0.194 1181 G C -1.660 173.368 174.900 0.215 0.000 2.087 1181 G CA -0.029 45.313 45.100 0.403 0.000 1.230 1181 G HN 0.206 nan 8.290 nan 0.000 0.393 1182 P HA 0.050 nan 4.420 nan 0.000 0.215 1182 P C 1.411 178.778 177.300 0.111 0.000 1.153 1182 P CA 1.874 65.045 63.100 0.117 0.000 0.853 1182 P CB -0.080 31.682 31.700 0.103 0.000 0.788 1183 E N -0.769 119.500 120.200 0.116 0.000 2.072 1183 E HA -0.142 4.208 4.350 0.000 0.000 0.191 1183 E C 1.862 178.527 176.600 0.108 0.000 0.985 1183 E CA 0.715 57.179 56.400 0.106 0.000 0.801 1183 E CB -1.132 28.619 29.700 0.086 0.000 0.750 1183 E HN 0.108 nan 8.360 nan 0.000 0.452 1184 L N 1.225 122.481 121.223 0.054 0.000 2.131 1184 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1184 L C 2.104 179.034 176.870 0.099 0.000 1.092 1184 L CA 1.882 56.715 54.840 -0.011 0.000 0.759 1184 L CB -0.288 41.608 42.059 -0.272 0.000 0.903 1184 L HN 0.132 nan 8.230 nan 0.000 0.435 1185 E N -1.189 119.066 120.200 0.090 0.000 2.150 1185 E HA -0.209 4.141 4.350 0.000 0.000 0.193 1185 E C 1.979 178.664 176.600 0.141 0.000 0.985 1185 E CA 1.110 57.571 56.400 0.101 0.000 0.814 1185 E CB 0.039 29.777 29.700 0.063 0.000 0.752 1185 E HN 0.422 nan 8.360 nan 0.000 0.466 1186 M N -0.003 119.690 119.600 0.155 0.000 2.200 1186 M HA -0.130 4.350 4.480 0.000 0.000 0.265 1186 M C 2.083 178.500 176.300 0.195 0.000 1.066 1186 M CA 0.986 56.382 55.300 0.159 0.000 1.127 1186 M CB -1.527 31.157 32.600 0.140 0.000 1.379 1186 M HN 0.405 nan 8.290 nan 0.000 0.420 1187 W N 1.996 123.332 121.300 0.060 0.000 2.338 1187 W HA -0.234 4.426 4.660 0.000 0.000 0.304 1187 W C 2.374 178.958 176.519 0.107 0.000 1.212 1187 W CA 2.556 59.939 57.345 0.063 0.000 1.264 1187 W CB -0.516 28.959 29.460 0.024 0.000 1.142 1187 W HN 0.444 nan 8.180 nan 0.000 0.512 1188 S N 0.365 116.279 115.700 0.356 0.000 2.423 1188 S HA -0.179 4.292 4.470 0.000 0.000 0.231 1188 S C 2.014 176.760 174.600 0.244 0.000 1.014 1188 S CA 1.215 59.625 58.200 0.350 0.000 0.965 1188 S CB -0.888 62.503 63.200 0.319 0.000 0.785 1188 S HN 0.307 nan 8.310 nan 0.000 0.495 1189 L N 1.184 122.515 121.223 0.181 0.000 2.156 1189 L HA 0.156 4.497 4.340 0.000 0.000 0.208 1189 L C 2.883 179.844 176.870 0.151 0.000 1.095 1189 L CA 0.953 55.928 54.840 0.226 0.000 0.770 1189 L CB -0.801 41.410 42.059 0.253 0.000 0.914 1189 L HN 0.524 nan 8.230 nan 0.000 0.439 1190 G N -0.679 108.118 108.800 -0.006 0.000 2.403 1190 G HA2 -0.142 3.818 3.960 0.000 0.000 0.216 1190 G HA3 -0.142 3.818 3.960 0.000 0.000 0.216 1190 G C 1.546 176.324 174.900 -0.204 0.000 1.154 1190 G CA 0.744 45.742 45.100 -0.169 0.000 0.784 1190 G HN 0.173 nan 8.290 nan 0.000 0.538 1191 V N 1.119 120.907 119.914 -0.210 0.000 2.358 1191 V HA -0.153 3.967 4.120 0.000 0.000 0.246 1191 V C 3.131 179.265 176.094 0.067 0.000 1.047 1191 V CA 2.277 64.471 62.300 -0.176 0.000 1.035 1191 V CB -0.974 30.698 31.823 -0.251 0.000 0.658 1191 V HN 0.364 nan 8.190 nan 0.000 0.452 1192 T N 0.863 115.560 114.554 0.237 0.000 2.684 1192 T HA -0.213 4.137 4.350 0.000 0.000 0.267 1192 T C 1.929 176.693 174.700 0.106 0.000 1.036 1192 T CA 1.940 64.211 62.100 0.284 0.000 1.148 1192 T CB -0.408 68.619 68.868 0.266 0.000 0.863 1192 T HN 0.301 nan 8.240 nan 0.000 0.436 1193 L N 0.215 121.390 121.223 -0.080 0.000 2.042 1193 L HA -0.066 4.274 4.340 0.000 0.000 0.210 1193 L C 2.176 178.877 176.870 -0.282 0.000 1.076 1193 L CA 1.714 56.315 54.840 -0.399 0.000 0.749 1193 L CB -0.920 40.596 42.059 -0.904 0.000 0.893 1193 L HN 0.268 nan 8.230 nan 0.000 0.432 1194 Y N 0.054 120.189 120.300 -0.275 0.000 2.181 1194 Y HA -0.242 4.308 4.550 0.000 0.000 0.288 1194 Y C 2.445 178.310 175.900 -0.058 0.000 1.146 1194 Y CA 2.308 60.313 58.100 -0.159 0.000 1.164 1194 Y CB -0.627 37.742 38.460 -0.151 0.000 0.982 1194 Y HN 0.228 nan 8.280 nan 0.000 0.515 1195 T N 0.728 115.406 114.554 0.206 0.000 2.821 1195 T HA -0.157 4.193 4.350 0.000 0.000 0.267 1195 T C 1.798 176.559 174.700 0.102 0.000 1.046 1195 T CA 1.284 63.497 62.100 0.188 0.000 1.139 1195 T CB -0.540 68.452 68.868 0.207 0.000 0.871 1195 T HN 0.271 nan 8.240 nan 0.000 0.454 1196 L N 2.100 123.354 121.223 0.051 0.000 2.027 1196 L HA -0.024 4.317 4.340 0.000 0.000 0.206 1196 L C 2.580 179.438 176.870 -0.020 0.000 1.074 1196 L CA 1.669 56.545 54.840 0.060 0.000 0.745 1196 L CB -0.773 41.333 42.059 0.078 0.000 0.898 1196 L HN 0.253 nan 8.230 nan 0.000 0.433 1197 V N -3.399 116.379 119.914 -0.227 0.000 2.407 1197 V HA -0.083 4.037 4.120 0.000 0.000 0.245 1197 V C 2.015 177.963 176.094 -0.244 0.000 1.041 1197 V CA 1.378 63.459 62.300 -0.365 0.000 1.040 1197 V CB -0.862 30.500 31.823 -0.768 0.000 0.671 1197 V HN 0.288 nan 8.190 nan 0.000 0.455 1198 F N 0.954 120.846 119.950 -0.098 0.000 2.746 1198 F HA 0.435 4.962 4.527 0.000 0.000 0.297 1198 F C 1.350 177.173 175.800 0.037 0.000 1.113 1198 F CA -0.184 57.778 58.000 -0.063 0.000 1.367 1198 F CB -0.569 38.137 39.000 -0.490 0.000 1.111 1198 F HN 0.268 nan 8.300 nan 0.000 0.590 1199 E N -0.130 120.178 120.200 0.181 0.000 2.586 1199 E HA -0.184 4.166 4.350 0.000 0.000 0.259 1199 E C 0.156 176.832 176.600 0.128 0.000 1.107 1199 E CA 0.613 57.087 56.400 0.124 0.000 0.754 1199 E CB -2.061 27.706 29.700 0.111 0.000 1.335 1199 E HN 0.575 nan 8.360 nan 0.000 0.411 1200 E N 0.787 121.096 120.200 0.182 0.000 2.388 1200 E HA 0.387 4.737 4.350 0.000 0.000 0.280 1200 E C -0.963 175.738 176.600 0.167 0.000 1.019 1200 E CA -0.419 56.069 56.400 0.147 0.000 0.806 1200 E CB 0.998 30.773 29.700 0.125 0.000 1.246 1200 E HN 0.176 nan 8.360 nan 0.000 0.443 1201 N N 1.894 120.617 118.700 0.039 0.000 2.454 1201 N HA 0.052 4.792 4.740 0.000 0.000 0.254 1201 N C -1.332 173.954 175.510 -0.373 0.000 1.228 1201 N CA -0.834 52.141 53.050 -0.126 0.000 0.900 1201 N CB 1.277 39.699 38.487 -0.109 0.000 1.089 1201 N HN 0.354 nan 8.380 nan 0.000 0.449 1202 P HA -0.087 nan 4.420 nan 0.000 0.217 1202 P C -0.579 175.942 177.300 -1.298 0.000 1.148 1202 P CA 1.425 63.454 63.100 -1.784 0.000 0.828 1202 P CB 0.065 30.369 31.700 -2.328 0.000 0.783 1203 F N -1.777 118.019 119.950 -0.256 0.000 2.539 1203 F HA 0.243 4.770 4.527 0.000 0.000 0.328 1203 F C 1.483 177.244 175.800 -0.066 0.000 1.148 1203 F CA -1.023 56.905 58.000 -0.121 0.000 0.940 1203 F CB 0.141 39.097 39.000 -0.073 0.000 1.194 1203 F HN -0.184 nan 8.300 nan 0.000 0.438 1204 C N 0.111 119.481 119.300 0.115 0.000 2.413 1204 C HA -0.073 4.387 4.460 0.000 0.000 0.276 1204 C C 1.003 176.041 174.990 0.080 0.000 1.236 1204 C CA 0.698 59.760 59.018 0.074 0.000 1.735 1204 C CB -0.656 27.118 27.740 0.056 0.000 2.031 1204 C HN 0.608 nan 8.230 nan 0.000 0.474 1205 E N 0.790 121.044 120.200 0.089 0.000 2.204 1205 E HA 0.273 4.623 4.350 0.000 0.000 0.276 1205 E C 0.365 176.994 176.600 0.049 0.000 0.974 1205 E CA -0.594 55.839 56.400 0.055 0.000 0.815 1205 E CB 0.900 30.618 29.700 0.030 0.000 1.119 1205 E HN -0.003 nan 8.360 nan 0.000 0.393 1206 L N 1.799 123.034 121.223 0.019 0.000 2.265 1206 L HA -0.136 4.204 4.340 0.000 0.000 0.215 1206 L C 1.619 178.437 176.870 -0.086 0.000 1.117 1206 L CA 1.737 56.568 54.840 -0.016 0.000 0.782 1206 L CB -0.319 41.729 42.059 -0.019 0.000 0.914 1206 L HN 0.568 nan 8.230 nan 0.000 0.441 1207 E N -0.901 119.252 120.200 -0.077 0.000 2.442 1207 E HA -0.108 4.242 4.350 0.000 0.000 0.195 1207 E C 1.325 177.839 176.600 -0.144 0.000 1.030 1207 E CA 0.415 56.750 56.400 -0.107 0.000 0.869 1207 E CB 0.165 29.824 29.700 -0.068 0.000 0.857 1207 E HN 0.635 nan 8.360 nan 0.000 0.505 1208 E N 0.758 120.868 120.200 -0.149 0.000 2.494 1208 E HA -0.057 4.293 4.350 0.000 0.000 0.193 1208 E C 1.420 177.674 176.600 -0.577 0.000 1.074 1208 E CA 0.847 57.126 56.400 -0.202 0.000 0.867 1208 E CB -0.078 29.608 29.700 -0.023 0.000 0.924 1208 E HN 0.101 nan 8.360 nan 0.000 0.502 1209 T N -1.097 113.071 114.554 -0.644 0.000 2.951 1209 T HA -0.097 4.253 4.350 0.000 0.000 0.268 1209 T C 2.103 176.529 174.700 -0.458 0.000 1.073 1209 T CA 0.948 62.553 62.100 -0.825 0.000 1.134 1209 T CB -0.325 68.271 68.868 -0.453 0.000 0.884 1209 T HN 0.208 nan 8.240 nan 0.000 0.479 1210 V N 0.087 119.805 119.914 -0.327 0.000 2.719 1210 V HA 0.263 4.383 4.120 0.000 0.000 0.252 1210 V C 2.512 178.520 176.094 -0.144 0.000 1.065 1210 V CA 1.690 63.856 62.300 -0.223 0.000 1.086 1210 V CB -1.321 30.392 31.823 -0.184 0.000 0.700 1210 V HN 0.624 nan 8.190 nan 0.000 0.467 1211 E N 0.271 120.386 120.200 -0.142 0.000 2.140 1211 E HA 0.437 4.788 4.350 0.000 0.000 0.191 1211 E C 1.853 178.426 176.600 -0.045 0.000 0.973 1211 E CA 1.539 57.895 56.400 -0.073 0.000 0.829 1211 E CB -0.649 29.022 29.700 -0.049 0.000 0.781 1211 E HN 2.234 nan 8.360 nan 0.000 0.466 1212 A N -1.116 121.628 122.820 -0.127 0.000 2.832 1212 A HA 0.086 4.406 4.320 0.000 0.000 0.280 1212 A C 1.135 178.849 177.584 0.216 0.000 1.464 1212 A CA 0.997 53.042 52.037 0.013 0.000 0.804 1212 A CB -2.497 16.614 19.000 0.185 0.000 1.020 1212 A HN 1.820 nan 8.150 nan 0.000 0.563 1213 A N 0.311 123.212 122.820 0.134 0.000 2.473 1213 A HA 0.495 4.815 4.320 0.000 0.000 0.282 1213 A C 0.475 178.002 177.584 -0.096 0.000 1.163 1213 A CA 0.529 52.571 52.037 0.007 0.000 0.827 1213 A CB -0.699 18.326 19.000 0.042 0.000 1.098 1213 A HN 1.688 nan 8.150 nan 0.000 0.515 1214 I N 0.692 121.098 120.570 -0.274 0.000 2.359 1214 I HA 0.501 4.671 4.170 0.000 0.000 0.294 1214 I C -0.518 175.250 176.117 -0.583 0.000 0.987 1214 I CA -0.537 60.548 61.300 -0.359 0.000 1.225 1214 I CB 1.196 39.054 38.000 -0.235 0.000 1.366 1214 I HN 0.524 nan 8.210 nan 0.000 0.466 1215 H N 4.869 123.874 119.070 -0.109 0.000 2.854 1215 H HA 0.398 4.954 4.556 0.000 0.000 0.275 1215 H C -2.433 172.761 175.328 -0.224 0.000 1.198 1215 H CA -1.544 54.423 56.048 -0.135 0.000 1.489 1215 H CB 0.858 30.568 29.762 -0.086 0.000 1.519 1215 H HN 0.512 nan 8.280 nan 0.000 0.503 1216 P HA 0.061 nan 4.420 nan 0.000 0.269 1216 P C -1.632 175.399 177.300 -0.448 0.000 1.215 1216 P CA -1.058 61.555 63.100 -0.811 0.000 0.780 1216 P CB 0.724 31.588 31.700 -1.394 0.000 0.898 1217 P HA -0.037 nan 4.420 nan 0.000 0.221 1217 P C -0.401 176.949 177.300 0.083 0.000 1.150 1217 P CA 1.181 64.249 63.100 -0.053 0.000 0.800 1217 P CB -0.115 31.635 31.700 0.082 0.000 0.787 1218 Y N -3.626 116.608 120.300 -0.111 0.000 2.588 1218 Y HA 0.600 5.150 4.550 0.000 0.000 0.343 1218 Y C -1.014 174.898 175.900 0.021 0.000 1.065 1218 Y CA -2.560 55.531 58.100 -0.016 0.000 1.038 1218 Y CB 0.147 38.627 38.460 0.034 0.000 1.297 1218 Y HN -0.426 nan 8.280 nan 0.000 0.467 1219 L N 4.079 125.345 121.223 0.072 0.000 2.418 1219 L HA 0.479 4.820 4.340 0.000 0.000 0.274 1219 L C 0.265 177.131 176.870 -0.007 0.000 1.135 1219 L CA -0.396 54.442 54.840 -0.003 0.000 0.870 1219 L CB 0.324 42.407 42.059 0.040 0.000 1.154 1219 L HN 0.739 nan 8.230 nan 0.000 0.462 1220 V N 0.681 120.548 119.914 -0.078 0.000 3.158 1220 V HA 0.800 4.921 4.120 0.000 0.000 0.315 1220 V C 0.230 176.309 176.094 -0.026 0.000 1.148 1220 V CA -0.954 61.310 62.300 -0.060 0.000 1.042 1220 V CB 1.627 33.342 31.823 -0.180 0.000 1.101 1220 V HN 0.806 nan 8.190 nan 0.000 0.448 1221 S N 0.434 116.139 115.700 0.009 0.000 2.558 1221 S HA 0.303 4.773 4.470 0.000 0.000 0.288 1221 S C 1.234 175.825 174.600 -0.015 0.000 1.318 1221 S CA 0.433 58.651 58.200 0.029 0.000 1.056 1221 S CB 0.781 64.042 63.200 0.103 0.000 0.853 1221 S HN 1.799 nan 8.310 nan 0.000 0.505 1222 K N 1.916 122.315 120.400 -0.002 0.000 2.280 1222 K HA -0.077 4.244 4.320 0.000 0.000 0.202 1222 K C 1.736 178.322 176.600 -0.023 0.000 1.047 1222 K CA 1.946 58.221 56.287 -0.019 0.000 0.942 1222 K CB -1.103 31.395 32.500 -0.003 0.000 0.739 1222 K HN 0.845 nan 8.250 nan 0.000 0.457 1223 E N -0.190 120.018 120.200 0.014 0.000 2.106 1223 E HA -0.042 4.308 4.350 0.000 0.000 0.192 1223 E C 1.928 178.475 176.600 -0.089 0.000 0.984 1223 E CA 0.997 57.422 56.400 0.042 0.000 0.806 1223 E CB -0.098 29.706 29.700 0.173 0.000 0.750 1223 E HN 0.398 nan 8.360 nan 0.000 0.458 1224 L N -0.023 121.046 121.223 -0.256 0.000 2.044 1224 L HA -0.078 4.262 4.340 0.000 0.000 0.205 1224 L C 1.825 178.430 176.870 -0.440 0.000 1.075 1224 L CA 1.657 56.073 54.840 -0.706 0.000 0.747 1224 L CB -0.448 41.106 42.059 -0.841 0.000 0.903 1224 L HN 0.145 nan 8.230 nan 0.000 0.435 1225 M N -0.254 119.197 119.600 -0.248 0.000 2.144 1225 M HA -0.168 4.312 4.480 0.000 0.000 0.260 1225 M C 2.498 178.719 176.300 -0.133 0.000 1.067 1225 M CA 1.929 57.133 55.300 -0.161 0.000 1.095 1225 M CB -1.712 30.824 32.600 -0.106 0.000 1.365 1225 M HN 0.630 nan 8.290 nan 0.000 0.406 1226 S N -0.146 115.488 115.700 -0.111 0.000 2.436 1226 S HA -0.068 4.402 4.470 0.000 0.000 0.228 1226 S C 1.886 176.439 174.600 -0.078 0.000 1.014 1226 S CA 0.567 58.725 58.200 -0.070 0.000 0.950 1226 S CB -0.703 62.476 63.200 -0.034 0.000 0.784 1226 S HN 0.373 nan 8.310 nan 0.000 0.504 1227 L N 2.799 123.943 121.223 -0.132 0.000 1.994 1227 L HA 0.028 4.369 4.340 0.000 0.000 0.208 1227 L C 2.617 179.397 176.870 -0.150 0.000 1.071 1227 L CA 2.121 56.882 54.840 -0.131 0.000 0.745 1227 L CB -0.879 41.052 42.059 -0.213 0.000 0.892 1227 L HN 0.378 nan 8.230 nan 0.000 0.431 1228 V N -3.434 116.350 119.914 -0.216 0.000 2.667 1228 V HA -0.108 4.012 4.120 0.000 0.000 0.252 1228 V C 2.262 178.287 176.094 -0.114 0.000 1.065 1228 V CA 1.785 63.981 62.300 -0.173 0.000 1.083 1228 V CB -0.716 31.024 31.823 -0.138 0.000 0.692 1228 V HN 0.454 nan 8.190 nan 0.000 0.468 1229 S N 1.383 117.031 115.700 -0.087 0.000 2.368 1229 S HA 0.015 4.486 4.470 0.000 0.000 0.224 1229 S C 1.954 176.539 174.600 -0.026 0.000 1.029 1229 S CA 1.562 59.731 58.200 -0.052 0.000 0.988 1229 S CB -0.735 62.440 63.200 -0.043 0.000 0.838 1229 S HN 0.833 nan 8.310 nan 0.000 0.462 1230 G N 1.098 109.885 108.800 -0.021 0.000 2.403 1230 G HA2 -0.037 3.923 3.960 0.000 0.000 0.216 1230 G HA3 -0.037 3.923 3.960 0.000 0.000 0.216 1230 G C 1.316 176.231 174.900 0.025 0.000 1.154 1230 G CA 0.289 45.396 45.100 0.012 0.000 0.784 1230 G HN 0.415 nan 8.290 nan 0.000 0.538 1231 L N -0.240 120.975 121.223 -0.014 0.000 2.156 1231 L HA 0.206 4.546 4.340 0.000 0.000 0.208 1231 L C 1.825 178.645 176.870 -0.083 0.000 1.095 1231 L CA 0.461 55.290 54.840 -0.018 0.000 0.770 1231 L CB -0.052 41.978 42.059 -0.049 0.000 0.914 1231 L HN 0.120 nan 8.230 nan 0.000 0.439 1232 L N 0.092 121.204 121.223 -0.185 0.000 2.912 1232 L HA 0.138 4.478 4.340 0.000 0.000 0.240 1232 L C 0.306 177.230 176.870 0.089 0.000 1.262 1232 L CA -0.405 54.199 54.840 -0.393 0.000 1.058 1232 L CB -0.097 41.671 42.059 -0.485 0.000 1.383 1232 L HN 0.148 nan 8.230 nan 0.000 0.512 1233 Q N 2.374 122.287 119.800 0.190 0.000 2.281 1233 Q HA 0.102 4.442 4.340 0.000 0.000 0.267 1233 Q C -1.588 174.613 176.000 0.335 0.000 1.053 1233 Q CA -1.446 54.485 55.803 0.214 0.000 0.905 1233 Q CB 1.050 29.865 28.738 0.129 0.000 1.195 1233 Q HN -0.031 nan 8.270 nan 0.000 0.398 1234 P HA -0.091 nan 4.420 nan 0.000 0.223 1234 P C -0.390 176.900 177.300 -0.016 0.000 1.151 1234 P CA 0.474 63.628 63.100 0.091 0.000 0.787 1234 P CB 0.237 31.946 31.700 0.014 0.000 0.788 1235 V N 2.398 122.327 119.914 0.026 0.000 2.408 1235 V HA 0.130 4.250 4.120 0.000 0.000 0.267 1235 V C -1.259 174.851 176.094 0.027 0.000 1.047 1235 V CA -1.292 61.010 62.300 0.004 0.000 0.937 1235 V CB 0.745 32.574 31.823 0.010 0.000 0.999 1235 V HN -0.049 nan 8.190 nan 0.000 0.472 1236 P HA -0.152 nan 4.420 nan 0.000 0.218 1236 P C 1.422 178.749 177.300 0.046 0.000 1.149 1236 P CA 0.995 64.113 63.100 0.030 0.000 0.817 1236 P CB 0.244 31.947 31.700 0.004 0.000 0.785 1237 E N 0.419 120.638 120.200 0.032 0.000 2.285 1237 E HA -0.118 4.232 4.350 0.000 0.000 0.194 1237 E C 1.574 178.197 176.600 0.039 0.000 0.997 1237 E CA 0.777 57.197 56.400 0.034 0.000 0.845 1237 E CB -0.513 29.201 29.700 0.023 0.000 0.782 1237 E HN 0.287 nan 8.360 nan 0.000 0.491 1238 R N 0.714 121.239 120.500 0.042 0.000 2.317 1238 R HA 0.174 4.514 4.340 0.000 0.000 0.208 1238 R C 1.080 177.416 176.300 0.059 0.000 0.914 1238 R CA -0.246 55.880 56.100 0.044 0.000 1.060 1238 R CB 0.116 30.439 30.300 0.038 0.000 1.015 1238 R HN -0.010 nan 8.270 nan 0.000 0.498 1239 R N 1.309 121.854 120.500 0.075 0.000 2.539 1239 R HA 0.062 4.402 4.340 0.000 0.000 0.275 1239 R C -0.478 175.870 176.300 0.081 0.000 1.077 1239 R CA 0.034 56.192 56.100 0.097 0.000 1.097 1239 R CB 0.738 31.119 30.300 0.135 0.000 1.018 1239 R HN -0.131 nan 8.270 nan 0.000 0.483 1240 T N 2.635 117.236 114.554 0.078 0.000 2.908 1240 T HA -0.050 4.301 4.350 0.000 0.000 0.301 1240 T C 0.308 175.056 174.700 0.079 0.000 1.019 1240 T CA 0.534 62.677 62.100 0.071 0.000 1.152 1240 T CB 0.784 69.694 68.868 0.068 0.000 0.966 1240 T HN 0.557 nan 8.240 nan 0.000 0.540 1241 T N 1.915 116.510 114.554 0.069 0.000 2.912 1241 T HA 0.320 4.670 4.350 0.000 0.000 0.280 1241 T C 1.333 176.071 174.700 0.063 0.000 0.989 1241 T CA -0.961 61.179 62.100 0.066 0.000 0.995 1241 T CB 0.674 69.576 68.868 0.056 0.000 1.077 1241 T HN 0.385 nan 8.240 nan 0.000 0.531 1242 L N 2.067 123.323 121.223 0.055 0.000 2.083 1242 L HA 0.055 4.395 4.340 0.000 0.000 0.209 1242 L C 2.271 179.165 176.870 0.039 0.000 1.083 1242 L CA 2.008 56.874 54.840 0.043 0.000 0.752 1242 L CB -0.864 41.213 42.059 0.031 0.000 0.899 1242 L HN 0.749 nan 8.230 nan 0.000 0.433 1243 E N -0.436 119.788 120.200 0.040 0.000 2.085 1243 E HA -0.249 4.101 4.350 0.000 0.000 0.194 1243 E C 2.219 178.846 176.600 0.045 0.000 0.994 1243 E CA 1.433 57.857 56.400 0.039 0.000 0.801 1243 E CB -0.248 29.474 29.700 0.037 0.000 0.743 1243 E HN 0.392 nan 8.360 nan 0.000 0.453 1244 K N 0.323 120.754 120.400 0.051 0.000 2.057 1244 K HA -0.080 4.240 4.320 0.000 0.000 0.207 1244 K C 2.077 178.720 176.600 0.072 0.000 1.049 1244 K CA 0.797 57.118 56.287 0.058 0.000 0.931 1244 K CB -0.127 32.408 32.500 0.058 0.000 0.714 1244 K HN 0.148 nan 8.250 nan 0.000 0.440 1245 L N 0.755 122.024 121.223 0.078 0.000 2.056 1245 L HA -0.167 4.173 4.340 0.000 0.000 0.207 1245 L C 2.164 179.084 176.870 0.084 0.000 1.078 1245 L CA 1.029 55.930 54.840 0.102 0.000 0.749 1245 L CB -0.152 41.967 42.059 0.099 0.000 0.901 1245 L HN 0.056 nan 8.230 nan 0.000 0.433 1246 V N -0.989 118.953 119.914 0.047 0.000 2.392 1246 V HA -0.297 3.823 4.120 0.000 0.000 0.249 1246 V C 2.364 178.486 176.094 0.048 0.000 1.059 1246 V CA 2.323 64.641 62.300 0.030 0.000 1.051 1246 V CB -0.606 31.230 31.823 0.022 0.000 0.658 1246 V HN 0.496 nan 8.190 nan 0.000 0.455 1247 T N -1.728 112.861 114.554 0.057 0.000 3.086 1247 T HA 0.056 4.407 4.350 0.000 0.000 0.250 1247 T C 0.481 175.227 174.700 0.077 0.000 1.074 1247 T CA -0.255 61.880 62.100 0.059 0.000 0.988 1247 T CB -0.510 68.387 68.868 0.048 0.000 0.988 1247 T HN 0.539 nan 8.240 nan 0.000 0.530 1248 D N 1.880 122.342 120.400 0.104 0.000 2.525 1248 D HA 0.063 4.703 4.640 0.000 0.000 0.235 1248 D C -1.412 174.976 176.300 0.147 0.000 1.137 1248 D CA -1.395 52.687 54.000 0.136 0.000 0.868 1248 D CB 1.359 42.272 40.800 0.188 0.000 1.180 1248 D HN 0.090 nan 8.370 nan 0.000 0.465 1249 P HA -0.079 nan 4.420 nan 0.000 0.219 1249 P C 0.755 178.154 177.300 0.163 0.000 1.146 1249 P CA 0.834 64.009 63.100 0.125 0.000 0.808 1249 P CB 0.030 31.798 31.700 0.113 0.000 0.779 1250 W N -0.463 120.862 121.300 0.041 0.000 2.476 1250 W HA -0.060 4.600 4.660 0.000 0.000 0.281 1250 W C 1.838 178.400 176.519 0.071 0.000 1.230 1250 W CA 0.857 58.227 57.345 0.041 0.000 1.287 1250 W CB -0.395 29.077 29.460 0.019 0.000 1.108 1250 W HN -0.336 nan 8.180 nan 0.000 0.567 1251 V N 0.296 120.396 119.914 0.309 0.000 2.488 1251 V HA -0.164 3.956 4.120 0.000 0.000 0.246 1251 V C 2.460 178.575 176.094 0.034 0.000 1.046 1251 V CA 2.450 64.875 62.300 0.209 0.000 1.053 1251 V CB -1.622 30.370 31.823 0.283 0.000 0.679 1251 V HN 0.362 nan 8.190 nan 0.000 0.458 1252 T N 0.096 114.674 114.554 0.041 0.000 3.100 1252 T HA 0.056 4.407 4.350 0.000 0.000 0.253 1252 T C 0.991 175.679 174.700 -0.019 0.000 1.118 1252 T CA 0.145 62.255 62.100 0.016 0.000 1.058 1252 T CB -0.283 68.606 68.868 0.035 0.000 0.953 1252 T HN 0.642 nan 8.240 nan 0.000 0.515 1253 Q N 1.980 121.741 119.800 -0.066 0.000 2.469 1253 Q HA 0.210 4.550 4.340 0.000 0.000 0.279 1253 Q C -2.485 173.469 176.000 -0.077 0.000 1.097 1253 Q CA -1.335 54.414 55.803 -0.091 0.000 0.951 1253 Q CB -0.341 28.285 28.738 -0.187 0.000 1.297 1253 Q HN 0.160 nan 8.270 nan 0.000 0.465 1254 P HA 0.102 nan 4.420 nan 0.000 0.281 1254 P C -1.273 176.000 177.300 -0.044 0.000 1.252 1254 P CA -0.312 62.764 63.100 -0.040 0.000 0.778 1254 P CB 1.295 32.979 31.700 -0.027 0.000 0.895 1255 V N 3.894 123.785 119.914 -0.038 0.000 2.540 1255 V HA 0.424 4.544 4.120 0.000 0.000 0.302 1255 V C -0.637 175.441 176.094 -0.026 0.000 1.035 1255 V CA -0.784 61.502 62.300 -0.024 0.000 0.873 1255 V CB 1.634 33.416 31.823 -0.069 0.000 0.992 1255 V HN 0.565 nan 8.190 nan 0.000 0.428 1256 N N 5.898 124.616 118.700 0.029 0.000 2.706 1256 N HA 0.311 5.052 4.740 0.000 0.000 0.240 1256 N C 0.797 176.289 175.510 -0.031 0.000 1.039 1256 N CA -0.327 52.700 53.050 -0.038 0.000 0.888 1256 N CB 1.417 39.852 38.487 -0.087 0.000 1.128 1256 N HN 0.768 nan 8.380 nan 0.000 0.512 1257 L N 1.409 122.637 121.223 0.007 0.000 2.265 1257 L HA -0.123 4.217 4.340 0.000 0.000 0.215 1257 L C 2.228 179.143 176.870 0.075 0.000 1.117 1257 L CA 0.931 55.849 54.840 0.129 0.000 0.782 1257 L CB -0.193 41.864 42.059 -0.003 0.000 0.914 1257 L HN 0.471 nan 8.230 nan 0.000 0.441 1258 A N -0.091 122.710 122.820 -0.031 0.000 2.178 1258 A HA -0.172 4.148 4.320 0.000 0.000 0.218 1258 A C 1.864 179.377 177.584 -0.117 0.000 1.157 1258 A CA 1.677 53.689 52.037 -0.042 0.000 0.689 1258 A CB -0.907 18.066 19.000 -0.046 0.000 0.787 1258 A HN 0.557 nan 8.150 nan 0.000 0.465 1259 D N -2.060 118.154 120.400 -0.310 0.000 2.339 1259 D HA 0.373 5.013 4.640 0.000 0.000 0.217 1259 D C -0.233 175.716 176.300 -0.584 0.000 1.050 1259 D CA 0.008 53.717 54.000 -0.485 0.000 0.856 1259 D CB -0.312 40.099 40.800 -0.649 0.000 0.922 1259 D HN 0.508 nan 8.370 nan 0.000 0.518 1260 Y N -0.186 120.142 120.300 0.047 0.000 2.331 1260 Y HA 0.532 5.082 4.550 0.000 0.000 0.334 1260 Y C 0.050 176.113 175.900 0.272 0.000 0.960 1260 Y CA -1.440 56.724 58.100 0.107 0.000 1.130 1260 Y CB 2.024 40.469 38.460 -0.026 0.000 1.164 1260 Y HN -0.155 nan 8.280 nan 0.000 0.458 1261 T N 3.249 118.049 114.554 0.409 0.000 2.823 1261 T HA 0.014 4.365 4.350 0.000 0.000 0.279 1261 T C 0.462 175.458 174.700 0.493 0.000 0.998 1261 T CA -0.641 61.688 62.100 0.381 0.000 0.994 1261 T CB 1.074 70.075 68.868 0.221 0.000 0.960 1261 T HN 0.905 nan 8.240 nan 0.000 0.448 1262 W N 2.783 124.228 121.300 0.241 0.000 2.342 1262 W HA -0.192 4.469 4.660 0.000 0.000 0.297 1262 W C 1.846 178.504 176.519 0.230 0.000 1.213 1262 W CA 2.127 59.566 57.345 0.158 0.000 1.251 1262 W CB -0.180 29.205 29.460 -0.124 0.000 1.136 1262 W HN 0.958 nan 8.180 nan 0.000 0.526 1263 E N 0.599 120.944 120.200 0.241 0.000 2.153 1263 E HA -0.220 4.131 4.350 0.000 0.000 0.194 1263 E C 1.781 178.408 176.600 0.045 0.000 0.988 1263 E CA 2.353 58.827 56.400 0.122 0.000 0.811 1263 E CB -1.190 28.598 29.700 0.147 0.000 0.746 1263 E HN 0.602 nan 8.360 nan 0.000 0.466 1264 E N -0.112 120.143 120.200 0.092 0.000 2.122 1264 E HA 0.184 4.534 4.350 0.000 0.000 0.190 1264 E C 2.350 178.980 176.600 0.050 0.000 0.977 1264 E CA 0.880 57.319 56.400 0.066 0.000 0.820 1264 E CB -0.521 29.237 29.700 0.096 0.000 0.770 1264 E HN 0.401 nan 8.360 nan 0.000 0.462 1265 V N -0.555 119.428 119.914 0.115 0.000 2.379 1265 V HA 0.136 4.256 4.120 0.000 0.000 0.245 1265 V C 1.115 177.194 176.094 -0.025 0.000 1.044 1265 V CA 1.137 63.508 62.300 0.118 0.000 1.036 1265 V CB -0.239 31.810 31.823 0.377 0.000 0.664 1265 V HN 0.542 nan 8.190 nan 0.000 0.453 1266 F N 0.000 119.699 119.950 -0.418 0.000 2.286 1266 F HA 0.000 4.527 4.527 0.000 0.000 0.279 1266 F CA 0.000 57.659 58.000 -0.568 0.000 1.383 1266 F CB 0.000 38.261 39.000 -1.232 0.000 1.145 1266 F HN 0.000 nan 8.300 nan 0.000 0.574