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 1ejr_1_C DATA FIRST_RESID 1002 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHEA WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMXXXX XXXXXXXXXA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 1002 S HA 0.000 nan 4.470 nan 0.000 0.327 1002 S C 0.000 174.617 174.600 0.029 0.000 1.055 1002 S CA 0.000 58.219 58.200 0.032 0.000 1.107 1002 S CB 0.000 63.226 63.200 0.044 0.000 0.593 1003 N N 1.634 120.350 118.700 0.027 0.000 2.380 1003 N HA 0.715 5.455 4.740 -0.000 0.000 0.290 1003 N C -1.489 174.042 175.510 0.036 0.000 1.236 1003 N CA -0.610 52.449 53.050 0.016 0.000 0.780 1003 N CB 2.231 40.719 38.487 0.002 0.000 1.438 1003 N HN 0.678 nan 8.380 nan 0.000 0.491 1004 I N 0.493 121.083 120.570 0.033 0.000 2.722 1004 I HA 0.154 4.324 4.170 -0.000 0.000 0.292 1004 I C -0.220 175.927 176.117 0.049 0.000 1.267 1004 I CA -0.438 60.906 61.300 0.074 0.000 1.036 1004 I CB 1.857 39.955 38.000 0.165 0.000 1.281 1004 I HN 0.644 nan 8.210 nan 0.000 0.423 1005 S N 6.077 121.810 115.700 0.054 0.000 2.579 1005 S HA 0.291 4.761 4.470 -0.000 0.000 0.275 1005 S C 0.998 175.638 174.600 0.067 0.000 1.345 1005 S CA -0.314 57.908 58.200 0.037 0.000 1.031 1005 S CB 1.377 64.597 63.200 0.034 0.000 0.892 1005 S HN 0.824 nan 8.310 nan 0.000 0.529 1006 R N 0.509 121.026 120.500 0.029 0.000 2.120 1006 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1006 R C 2.358 178.730 176.300 0.120 0.000 1.123 1006 R CA 1.509 57.638 56.100 0.048 0.000 0.975 1006 R CB -0.369 29.925 30.300 -0.011 0.000 0.866 1006 R HN 0.775 nan 8.270 nan 0.000 0.446 1007 Q N 0.774 120.624 119.800 0.084 0.000 2.049 1007 Q HA -0.039 4.301 4.340 -0.000 0.000 0.198 1007 Q C 1.926 177.978 176.000 0.087 0.000 0.971 1007 Q CA 1.990 57.840 55.803 0.079 0.000 0.833 1007 Q CB -0.248 28.519 28.738 0.049 0.000 0.896 1007 Q HN 0.284 nan 8.270 nan 0.000 0.434 1008 A N -0.628 122.243 122.820 0.085 0.000 1.933 1008 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 1008 A C 2.056 179.691 177.584 0.085 0.000 1.175 1008 A CA 1.473 53.547 52.037 0.062 0.000 0.628 1008 A CB -1.092 17.944 19.000 0.059 0.000 0.814 1008 A HN 0.615 nan 8.150 nan 0.000 0.444 1009 Y N 0.562 120.905 120.300 0.072 0.000 2.145 1009 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 1009 Y C 2.685 178.687 175.900 0.170 0.000 1.145 1009 Y CA 1.577 59.785 58.100 0.180 0.000 1.148 1009 Y CB -0.448 38.094 38.460 0.136 0.000 0.981 1009 Y HN 0.315 nan 8.280 nan 0.000 0.507 1010 A N 0.072 123.062 122.820 0.284 0.000 1.908 1010 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 1010 A C 1.866 179.475 177.584 0.041 0.000 1.181 1010 A CA 2.109 54.260 52.037 0.190 0.000 0.627 1010 A CB -0.850 18.252 19.000 0.170 0.000 0.818 1010 A HN 0.558 nan 8.150 nan 0.000 0.445 1011 D N -1.156 119.242 120.400 -0.003 0.000 2.178 1011 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 1011 D C 1.888 178.087 176.300 -0.168 0.000 0.974 1011 D CA 1.168 55.133 54.000 -0.058 0.000 0.841 1011 D CB -0.207 40.565 40.800 -0.046 0.000 0.953 1011 D HN 0.508 nan 8.370 nan 0.000 0.478 1012 M N -1.338 118.071 119.600 -0.320 0.000 2.299 1012 M HA 0.017 4.497 4.480 -0.000 0.000 0.264 1012 M C 0.660 176.437 176.300 -0.873 0.000 1.095 1012 M CA 1.170 56.059 55.300 -0.686 0.000 1.165 1012 M CB 0.312 32.298 32.600 -1.023 0.000 1.349 1012 M HN -0.099 nan 8.290 nan 0.000 0.446 1013 F N -0.230 119.549 119.950 -0.286 0.000 2.706 1013 F HA 0.467 4.994 4.527 -0.000 0.000 0.313 1013 F C 0.884 176.635 175.800 -0.082 0.000 1.096 1013 F CA 0.111 57.971 58.000 -0.232 0.000 1.219 1013 F CB 0.296 39.028 39.000 -0.447 0.000 1.051 1013 F HN 0.236 nan 8.300 nan 0.000 0.568 1014 G N 1.521 110.365 108.800 0.073 0.000 2.707 1014 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 1014 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 1014 G C -2.988 172.040 174.900 0.212 0.000 1.315 1014 G CA -1.365 43.811 45.100 0.127 0.000 0.832 1014 G HN -0.062 nan 8.290 nan 0.000 0.573 1015 P HA 0.415 nan 4.420 nan 0.000 0.270 1015 P C 0.145 177.601 177.300 0.259 0.000 1.223 1015 P CA 0.533 63.761 63.100 0.213 0.000 0.785 1015 P CB 1.542 33.326 31.700 0.140 0.000 0.923 1016 T N -0.504 114.193 114.554 0.237 0.000 2.693 1016 T HA 0.285 4.634 4.350 -0.000 0.000 0.278 1016 T C -0.481 174.298 174.700 0.132 0.000 0.994 1016 T CA -0.777 61.453 62.100 0.217 0.000 1.033 1016 T CB 0.621 69.627 68.868 0.230 0.000 1.342 1016 T HN 0.103 nan 8.240 nan 0.000 0.538 1017 V N 2.259 122.248 119.914 0.124 0.000 2.644 1017 V HA 0.314 4.434 4.120 -0.000 0.000 0.303 1017 V C 1.886 178.015 176.094 0.058 0.000 1.058 1017 V CA 1.728 64.080 62.300 0.086 0.000 1.228 1017 V CB -0.246 31.629 31.823 0.086 0.000 0.861 1017 V HN 1.346 nan 8.190 nan 0.000 0.484 1018 G N 3.693 112.523 108.800 0.050 0.000 2.258 1018 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.233 1018 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.233 1018 G C -0.046 174.876 174.900 0.036 0.000 1.006 1018 G CA 0.044 45.163 45.100 0.033 0.000 0.620 1018 G HN 0.672 nan 8.290 nan 0.000 0.511 1019 D N 1.424 121.858 120.400 0.057 0.000 2.341 1019 D HA 0.555 5.195 4.640 -0.000 0.000 0.245 1019 D C 0.591 176.943 176.300 0.087 0.000 1.106 1019 D CA 0.395 54.439 54.000 0.073 0.000 0.905 1019 D CB 0.971 41.830 40.800 0.097 0.000 1.202 1019 D HN 0.424 nan 8.370 nan 0.000 0.426 1020 K N 0.227 120.699 120.400 0.120 0.000 2.267 1020 K HA 0.680 5.000 4.320 -0.000 0.000 0.246 1020 K C -1.034 175.741 176.600 0.291 0.000 0.954 1020 K CA -0.979 55.430 56.287 0.204 0.000 0.824 1020 K CB 2.300 34.924 32.500 0.206 0.000 1.167 1020 K HN 0.082 nan 8.250 nan 0.000 0.431 1021 V N 1.672 121.730 119.914 0.239 0.000 2.686 1021 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 1021 V C -0.466 175.474 176.094 -0.258 0.000 1.065 1021 V CA -1.015 61.302 62.300 0.029 0.000 0.894 1021 V CB 1.708 33.492 31.823 -0.065 0.000 1.004 1021 V HN 0.693 nan 8.190 nan 0.000 0.424 1022 R N 3.826 123.898 120.500 -0.714 0.000 2.340 1022 R HA 0.492 4.832 4.340 -0.000 0.000 0.300 1022 R C -0.921 174.998 176.300 -0.636 0.000 1.069 1022 R CA -0.539 54.870 56.100 -1.152 0.000 0.984 1022 R CB 0.612 30.081 30.300 -1.385 0.000 1.003 1022 R HN 0.717 nan 8.270 nan 0.000 0.459 1023 L N 6.178 127.043 121.223 -0.596 0.000 2.342 1023 L HA 0.224 4.564 4.340 -0.000 0.000 0.285 1023 L C 1.140 177.809 176.870 -0.336 0.000 1.095 1023 L CA 0.258 54.784 54.840 -0.524 0.000 0.843 1023 L CB 0.548 42.196 42.059 -0.685 0.000 1.201 1023 L HN 1.097 nan 8.230 nan 0.000 0.445 1024 A N 4.084 126.767 122.820 -0.230 0.000 5.584 1024 A HA -0.313 4.006 4.320 -0.000 0.000 0.303 1024 A C 0.783 178.276 177.584 -0.152 0.000 1.923 1024 A CA 1.381 53.331 52.037 -0.145 0.000 0.717 1024 A CB -1.068 17.842 19.000 -0.150 0.000 1.281 1024 A HN 0.958 nan 8.150 nan 0.000 0.379 1025 D N 0.143 120.502 120.400 -0.069 0.000 2.491 1025 D HA 0.347 4.987 4.640 -0.000 0.000 0.228 1025 D C 0.696 176.913 176.300 -0.139 0.000 1.183 1025 D CA 0.998 54.941 54.000 -0.095 0.000 0.827 1025 D CB -1.043 39.734 40.800 -0.037 0.000 0.989 1025 D HN 1.092 nan 8.370 nan 0.000 0.494 1026 T N -2.887 111.563 114.554 -0.174 0.000 2.852 1026 T HA 0.278 4.628 4.350 -0.000 0.000 0.281 1026 T C 0.768 175.461 174.700 -0.012 0.000 0.993 1026 T CA -0.546 61.475 62.100 -0.131 0.000 0.933 1026 T CB 1.617 70.446 68.868 -0.065 0.000 1.187 1026 T HN -0.216 nan 8.240 nan 0.000 0.559 1027 E N 0.017 120.373 120.200 0.260 0.000 2.444 1027 E HA 0.284 4.634 4.350 -0.000 0.000 0.191 1027 E C -0.071 176.614 176.600 0.141 0.000 1.041 1027 E CA -0.108 56.404 56.400 0.188 0.000 0.883 1027 E CB -0.150 29.668 29.700 0.198 0.000 1.024 1027 E HN 0.541 nan 8.360 nan 0.000 0.470 1028 L N 0.642 121.864 121.223 -0.002 0.000 2.305 1028 L HA 0.259 4.599 4.340 -0.000 0.000 0.281 1028 L C -0.436 176.326 176.870 -0.179 0.000 1.085 1028 L CA -0.324 54.504 54.840 -0.020 0.000 0.813 1028 L CB 0.489 42.507 42.059 -0.068 0.000 1.157 1028 L HN -0.068 nan 8.230 nan 0.000 0.436 1029 W N 4.732 125.985 121.300 -0.079 0.000 2.656 1029 W HA 0.605 5.265 4.660 -0.000 0.000 0.327 1029 W C -0.217 176.241 176.519 -0.102 0.000 1.041 1029 W CA -0.472 56.818 57.345 -0.092 0.000 1.229 1029 W CB 1.539 30.967 29.460 -0.053 0.000 1.397 1029 W HN 0.237 nan 8.180 nan 0.000 0.479 1030 I N -0.376 120.240 120.570 0.077 0.000 2.607 1030 I HA 0.667 4.837 4.170 -0.000 0.000 0.305 1030 I C -0.509 175.647 176.117 0.065 0.000 0.995 1030 I CA -1.078 60.226 61.300 0.007 0.000 1.148 1030 I CB 2.153 40.074 38.000 -0.131 0.000 1.323 1030 I HN 0.404 nan 8.210 nan 0.000 0.461 1031 E N 4.009 124.237 120.200 0.045 0.000 2.210 1031 E HA 0.408 4.758 4.350 -0.000 0.000 0.266 1031 E C -1.337 175.284 176.600 0.035 0.000 0.883 1031 E CA -0.919 55.513 56.400 0.052 0.000 0.761 1031 E CB 2.349 32.077 29.700 0.047 0.000 1.156 1031 E HN 0.613 nan 8.360 nan 0.000 0.412 1032 V N 5.302 125.244 119.914 0.045 0.000 2.458 1032 V HA -0.059 4.061 4.120 -0.000 0.000 0.287 1032 V C 1.009 177.133 176.094 0.050 0.000 1.009 1032 V CA 0.757 63.086 62.300 0.048 0.000 1.091 1032 V CB 0.494 32.361 31.823 0.074 0.000 0.960 1032 V HN 0.831 nan 8.190 nan 0.000 0.476 1033 E N 2.445 122.673 120.200 0.045 0.000 2.170 1033 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 1033 E C 0.316 176.954 176.600 0.063 0.000 0.981 1033 E CA 0.547 56.979 56.400 0.054 0.000 0.830 1033 E CB 0.354 30.088 29.700 0.056 0.000 0.775 1033 E HN 0.739 nan 8.360 nan 0.000 0.470 1034 D N -0.664 119.779 120.400 0.071 0.000 2.609 1034 D HA 0.179 4.819 4.640 -0.000 0.000 0.239 1034 D C -1.925 174.419 176.300 0.074 0.000 1.229 1034 D CA -0.519 53.524 54.000 0.072 0.000 0.808 1034 D CB 2.150 43.001 40.800 0.085 0.000 1.448 1034 D HN -0.204 nan 8.370 nan 0.000 0.433 1035 D N 1.867 122.298 120.400 0.051 0.000 2.686 1035 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 1035 D C 0.392 176.680 176.300 -0.019 0.000 1.260 1035 D CA -0.362 53.660 54.000 0.038 0.000 0.910 1035 D CB 1.436 42.266 40.800 0.049 0.000 1.323 1035 D HN 0.299 nan 8.370 nan 0.000 0.561 1036 L N 2.117 123.344 121.223 0.006 0.000 2.612 1036 L HA 0.124 4.464 4.340 -0.000 0.000 0.230 1036 L C 1.460 178.295 176.870 -0.057 0.000 1.140 1036 L CA 0.146 54.978 54.840 -0.014 0.000 0.896 1036 L CB -0.048 42.029 42.059 0.031 0.000 1.065 1036 L HN 0.288 nan 8.230 nan 0.000 0.447 1037 T N -0.420 114.068 114.554 -0.109 0.000 2.810 1037 T HA 0.232 4.582 4.350 -0.000 0.000 0.277 1037 T C 0.208 174.747 174.700 -0.268 0.000 0.973 1037 T CA 0.008 62.020 62.100 -0.146 0.000 0.949 1037 T CB 1.189 69.991 68.868 -0.111 0.000 1.075 1037 T HN -0.013 nan 8.240 nan 0.000 0.537 1038 T N 2.764 117.191 114.554 -0.211 0.000 2.864 1038 T HA 0.358 4.708 4.350 -0.000 0.000 0.310 1038 T C -0.915 173.704 174.700 -0.135 0.000 1.040 1038 T CA -0.224 61.758 62.100 -0.197 0.000 0.977 1038 T CB -0.208 68.610 68.868 -0.083 0.000 0.976 1038 T HN 0.531 nan 8.240 nan 0.000 0.459 1039 Y N 1.926 122.205 120.300 -0.034 0.000 2.865 1039 Y HA 0.186 4.736 4.550 -0.000 0.000 0.338 1039 Y C 1.753 177.634 175.900 -0.032 0.000 1.269 1039 Y CA 1.042 59.117 58.100 -0.041 0.000 1.585 1039 Y CB 0.103 38.521 38.460 -0.070 0.000 1.224 1039 Y HN 1.025 nan 8.280 nan 0.000 0.554 1040 G N 2.079 110.949 108.800 0.118 0.000 2.238 1040 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.217 1040 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.217 1040 G C 0.591 175.501 174.900 0.016 0.000 0.996 1040 G CA -0.038 45.097 45.100 0.059 0.000 0.632 1040 G HN 0.546 nan 8.290 nan 0.000 0.503 1041 E N 1.089 121.286 120.200 -0.004 0.000 2.499 1041 E HA 0.234 4.584 4.350 -0.000 0.000 0.199 1041 E C 0.305 176.894 176.600 -0.020 0.000 1.016 1041 E CA 0.015 56.413 56.400 -0.005 0.000 0.933 1041 E CB 0.449 30.149 29.700 -0.001 0.000 1.050 1041 E HN 0.690 nan 8.360 nan 0.000 0.462 1042 E N 0.791 120.941 120.200 -0.083 0.000 2.413 1042 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 1042 E C 0.159 176.783 176.600 0.040 0.000 1.015 1042 E CA -0.102 56.250 56.400 -0.079 0.000 0.916 1042 E CB 0.864 30.357 29.700 -0.345 0.000 0.947 1042 E HN -0.086 nan 8.360 nan 0.000 0.440 1043 V N 0.067 120.033 119.914 0.087 0.000 2.439 1043 V HA 0.510 4.630 4.120 -0.000 0.000 0.282 1043 V C -0.073 176.126 176.094 0.174 0.000 1.039 1043 V CA -0.639 61.734 62.300 0.121 0.000 0.913 1043 V CB 1.099 32.983 31.823 0.101 0.000 0.983 1043 V HN 0.489 nan 8.190 nan 0.000 0.460 1044 K N 3.709 124.217 120.400 0.181 0.000 2.422 1044 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 1044 K C -1.707 174.996 176.600 0.172 0.000 0.933 1044 K CA -0.679 55.717 56.287 0.181 0.000 0.798 1044 K CB 2.558 35.156 32.500 0.164 0.000 1.238 1044 K HN 0.750 nan 8.250 nan 0.000 0.428 1045 F N 1.503 121.477 119.950 0.040 0.000 2.422 1045 F HA 0.691 5.218 4.527 -0.000 0.000 0.333 1045 F C 0.219 176.026 175.800 0.012 0.000 1.095 1045 F CA 0.418 58.432 58.000 0.024 0.000 1.038 1045 F CB 1.579 40.591 39.000 0.020 0.000 1.156 1045 F HN 0.664 nan 8.300 nan 0.000 0.483 1046 G N 2.435 110.568 108.800 -1.111 0.000 2.361 1046 G HA2 0.360 4.320 3.960 -0.000 0.000 0.305 1046 G HA3 0.360 4.320 3.960 -0.000 0.000 0.305 1046 G C -0.811 173.785 174.900 -0.507 0.000 1.367 1046 G CA -0.529 44.099 45.100 -0.788 0.000 0.951 1046 G HN 1.062 nan 8.290 nan 0.000 0.615 1047 G N -0.838 107.769 108.800 -0.321 0.000 2.299 1047 G HA2 0.556 4.516 3.960 -0.000 0.000 0.256 1047 G HA3 0.556 4.516 3.960 -0.000 0.000 0.256 1047 G C 1.450 176.266 174.900 -0.140 0.000 1.259 1047 G CA 1.745 46.727 45.100 -0.195 0.000 0.943 1047 G HN 2.460 nan 8.290 nan 0.000 0.479 1048 G N 1.575 110.310 108.800 -0.109 0.000 2.155 1048 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 1048 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 1048 G C 0.687 175.552 174.900 -0.059 0.000 0.983 1048 G CA 0.964 46.023 45.100 -0.067 0.000 0.676 1048 G HN 0.800 nan 8.290 nan 0.000 0.528 1049 K N -1.004 119.343 120.400 -0.088 0.000 2.760 1049 K HA 0.620 4.940 4.320 -0.000 0.000 0.285 1049 K C 1.820 178.415 176.600 -0.007 0.000 1.016 1049 K CA -0.199 56.059 56.287 -0.048 0.000 1.087 1049 K CB 0.403 32.858 32.500 -0.074 0.000 1.427 1049 K HN -0.015 nan 8.250 nan 0.000 0.524 1050 V N 0.907 120.843 119.914 0.036 0.000 2.346 1050 V HA -0.094 4.025 4.120 -0.000 0.000 0.244 1050 V C 1.358 177.493 176.094 0.068 0.000 1.037 1050 V CA 1.212 63.548 62.300 0.060 0.000 1.029 1050 V CB -0.368 31.507 31.823 0.087 0.000 0.663 1050 V HN 0.479 nan 8.190 nan 0.000 0.454 1051 I N 2.477 123.111 120.570 0.106 0.000 2.501 1051 I HA 0.147 4.317 4.170 -0.000 0.000 0.305 1051 I C 0.380 176.575 176.117 0.130 0.000 1.197 1051 I CA 0.685 62.072 61.300 0.145 0.000 1.793 1051 I CB -0.784 37.364 38.000 0.245 0.000 1.521 1051 I HN 0.256 nan 8.210 nan 0.000 0.843 1052 R N 2.320 122.865 120.500 0.075 0.000 2.774 1052 R HA 0.270 4.610 4.340 -0.000 0.000 0.272 1052 R C -0.869 175.456 176.300 0.042 0.000 1.000 1052 R CA -1.205 54.927 56.100 0.054 0.000 0.906 1052 R CB 1.675 31.988 30.300 0.023 0.000 1.227 1052 R HN 0.226 nan 8.270 nan 0.000 0.468 1053 D N 0.364 120.785 120.400 0.035 0.000 2.662 1053 D HA 0.030 4.670 4.640 -0.000 0.000 0.233 1053 D C 1.204 177.516 176.300 0.021 0.000 1.129 1053 D CA 2.570 56.585 54.000 0.026 0.000 0.851 1053 D CB 0.366 41.178 40.800 0.020 0.000 1.152 1053 D HN 0.689 nan 8.370 nan 0.000 0.507 1054 G N 2.764 111.576 108.800 0.020 0.000 2.267 1054 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 1054 G C 0.816 175.728 174.900 0.020 0.000 0.998 1054 G CA 0.921 46.031 45.100 0.017 0.000 0.620 1054 G HN 0.525 nan 8.290 nan 0.000 0.529 1055 M N -0.709 118.905 119.600 0.025 0.000 2.209 1055 M HA 0.469 4.949 4.480 -0.000 0.000 0.195 1055 M C 2.497 178.817 176.300 0.034 0.000 1.518 1055 M CA 0.982 56.299 55.300 0.028 0.000 1.747 1055 M CB -0.356 32.261 32.600 0.028 0.000 1.021 1055 M HN 0.122 nan 8.290 nan 0.000 0.829 1056 G N -0.073 108.754 108.800 0.044 0.000 2.679 1056 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.212 1056 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.212 1056 G C 0.420 175.349 174.900 0.048 0.000 1.137 1056 G CA 0.145 45.275 45.100 0.050 0.000 0.787 1056 G HN 0.471 nan 8.290 nan 0.000 0.534 1057 Q N 0.201 120.027 119.800 0.044 0.000 2.322 1057 Q HA 0.550 4.890 4.340 -0.000 0.000 0.265 1057 Q C 0.304 176.319 176.000 0.024 0.000 0.985 1057 Q CA -0.665 55.160 55.803 0.037 0.000 0.849 1057 Q CB 1.537 30.302 28.738 0.046 0.000 1.274 1057 Q HN 0.139 nan 8.270 nan 0.000 0.449 1058 G N 1.427 110.237 108.800 0.016 0.000 2.525 1058 G HA2 0.102 4.062 3.960 -0.000 0.000 0.287 1058 G HA3 0.102 4.062 3.960 -0.000 0.000 0.287 1058 G C 0.078 174.982 174.900 0.006 0.000 1.350 1058 G CA -0.205 44.902 45.100 0.011 0.000 1.039 1058 G HN 0.677 nan 8.290 nan 0.000 0.513 1059 Q N -0.117 119.685 119.800 0.004 0.000 2.220 1059 Q HA 0.099 4.439 4.340 -0.000 0.000 0.205 1059 Q C 0.988 176.986 176.000 -0.003 0.000 0.865 1059 Q CA -0.302 55.502 55.803 0.002 0.000 0.960 1059 Q CB 0.246 28.986 28.738 0.004 0.000 1.097 1059 Q HN 0.646 nan 8.270 nan 0.000 0.493 1060 M N -0.591 119.006 119.600 -0.006 0.000 2.240 1060 M HA 0.256 4.736 4.480 -0.000 0.000 0.333 1060 M C -0.017 176.273 176.300 -0.017 0.000 1.110 1060 M CA -0.062 55.232 55.300 -0.010 0.000 1.173 1060 M CB 0.240 32.833 32.600 -0.012 0.000 1.458 1060 M HN -0.093 nan 8.290 nan 0.000 0.458 1061 L N 2.400 123.614 121.223 -0.016 0.000 2.472 1061 L HA 0.242 4.582 4.340 -0.000 0.000 0.260 1061 L C 1.924 178.775 176.870 -0.031 0.000 1.209 1061 L CA -0.134 54.694 54.840 -0.020 0.000 0.817 1061 L CB 0.251 42.301 42.059 -0.014 0.000 1.106 1061 L HN 1.023 nan 8.230 nan 0.000 0.479 1062 A N 1.680 124.480 122.820 -0.034 0.000 1.927 1062 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 1062 A C 2.282 179.833 177.584 -0.055 0.000 1.185 1062 A CA 2.223 54.232 52.037 -0.047 0.000 0.639 1062 A CB -0.876 18.099 19.000 -0.041 0.000 0.820 1062 A HN 0.926 nan 8.150 nan 0.000 0.451 1063 A N -0.838 121.959 122.820 -0.037 0.000 2.019 1063 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 1063 A C 1.392 178.951 177.584 -0.041 0.000 1.164 1063 A CA 1.642 53.661 52.037 -0.030 0.000 0.644 1063 A CB -0.305 18.689 19.000 -0.009 0.000 0.805 1063 A HN 0.499 nan 8.150 nan 0.000 0.449 1064 D N -0.924 119.449 120.400 -0.044 0.000 2.368 1064 D HA 0.197 4.837 4.640 -0.000 0.000 0.218 1064 D C 0.259 176.507 176.300 -0.087 0.000 1.112 1064 D CA 0.612 54.587 54.000 -0.042 0.000 0.834 1064 D CB -0.088 40.703 40.800 -0.013 0.000 0.953 1064 D HN 0.617 nan 8.370 nan 0.000 0.505 1065 C N -1.332 117.883 119.300 -0.142 0.000 3.171 1065 C HA 0.755 5.215 4.460 -0.000 0.000 0.308 1065 C C 0.281 175.099 174.990 -0.287 0.000 1.334 1065 C CA -1.191 57.714 59.018 -0.189 0.000 1.473 1065 C CB 1.110 28.785 27.740 -0.108 0.000 1.866 1065 C HN 0.008 nan 8.230 nan 0.000 0.465 1066 V N -0.053 119.668 119.914 -0.321 0.000 2.953 1066 V HA 0.428 4.548 4.120 -0.000 0.000 0.304 1066 V C 0.516 176.512 176.094 -0.165 0.000 1.073 1066 V CA 0.441 62.549 62.300 -0.319 0.000 1.064 1066 V CB 0.727 32.381 31.823 -0.280 0.000 1.047 1066 V HN 0.908 nan 8.190 nan 0.000 0.478 1067 D N 0.813 121.140 120.400 -0.123 0.000 2.213 1067 D HA 0.172 4.812 4.640 -0.000 0.000 0.205 1067 D C 0.203 176.463 176.300 -0.065 0.000 0.961 1067 D CA 1.230 55.182 54.000 -0.079 0.000 0.853 1067 D CB 0.558 41.326 40.800 -0.054 0.000 0.967 1067 D HN 0.507 nan 8.370 nan 0.000 0.496 1068 L N 0.077 121.270 121.223 -0.050 0.000 2.445 1068 L HA 0.484 4.824 4.340 -0.000 0.000 0.262 1068 L C -1.701 175.161 176.870 -0.013 0.000 0.974 1068 L CA -0.843 53.976 54.840 -0.035 0.000 0.822 1068 L CB 2.592 44.642 42.059 -0.016 0.000 1.339 1068 L HN -0.276 nan 8.230 nan 0.000 0.409 1069 V N 5.650 125.556 119.914 -0.013 0.000 2.638 1069 V HA 0.613 4.733 4.120 -0.000 0.000 0.306 1069 V C -1.344 174.765 176.094 0.025 0.000 1.052 1069 V CA -0.460 61.850 62.300 0.018 0.000 0.885 1069 V CB 1.971 33.805 31.823 0.018 0.000 0.999 1069 V HN 0.720 nan 8.190 nan 0.000 0.424 1070 L N 6.560 127.815 121.223 0.053 0.000 2.264 1070 L HA 0.512 4.852 4.340 -0.000 0.000 0.287 1070 L C 0.676 177.593 176.870 0.079 0.000 1.039 1070 L CA 0.121 54.997 54.840 0.061 0.000 0.829 1070 L CB 1.675 43.779 42.059 0.075 0.000 1.211 1070 L HN 0.855 nan 8.230 nan 0.000 0.427 1071 T N -0.168 114.434 114.554 0.080 0.000 2.869 1071 T HA 0.253 4.603 4.350 -0.000 0.000 0.295 1071 T C 0.585 175.355 174.700 0.117 0.000 0.987 1071 T CA -0.685 61.476 62.100 0.101 0.000 1.109 1071 T CB 0.474 69.410 68.868 0.113 0.000 0.932 1071 T HN 0.604 nan 8.240 nan 0.000 0.518 1072 N N 0.121 118.898 118.700 0.128 0.000 2.725 1072 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 1072 N C 0.030 175.622 175.510 0.135 0.000 1.031 1072 N CA 0.837 53.974 53.050 0.146 0.000 0.720 1072 N CB -1.654 36.944 38.487 0.184 0.000 0.930 1072 N HN 1.113 nan 8.380 nan 0.000 0.543 1073 A N 0.127 123.022 122.820 0.126 0.000 2.316 1073 A HA 0.562 4.882 4.320 -0.000 0.000 0.284 1073 A C 0.441 178.097 177.584 0.119 0.000 1.115 1073 A CA -0.525 51.586 52.037 0.123 0.000 0.812 1073 A CB 0.804 19.879 19.000 0.124 0.000 1.064 1073 A HN 0.309 nan 8.150 nan 0.000 0.489 1074 L N 3.907 125.196 121.223 0.109 0.000 2.287 1074 L HA 0.458 4.798 4.340 -0.000 0.000 0.280 1074 L C -0.538 176.369 176.870 0.061 0.000 1.055 1074 L CA -0.189 54.699 54.840 0.080 0.000 0.863 1074 L CB -0.168 41.929 42.059 0.063 0.000 1.245 1074 L HN 0.549 nan 8.230 nan 0.000 0.432 1075 I N 5.219 125.813 120.570 0.040 0.000 2.496 1075 I HA 0.212 4.382 4.170 -0.000 0.000 0.285 1075 I C -0.342 175.699 176.117 -0.127 0.000 1.080 1075 I CA -0.372 60.922 61.300 -0.009 0.000 1.404 1075 I CB 1.098 39.092 38.000 -0.010 0.000 1.403 1075 I HN 0.233 nan 8.210 nan 0.000 0.539 1076 V N 5.939 125.794 119.914 -0.099 0.000 2.349 1076 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 1076 V C -0.544 175.452 176.094 -0.163 0.000 1.014 1076 V CA -0.305 61.905 62.300 -0.149 0.000 0.826 1076 V CB 1.490 33.253 31.823 -0.101 0.000 1.009 1076 V HN 0.689 nan 8.190 nan 0.000 0.431 1077 D N 0.844 121.009 120.400 -0.392 0.000 2.610 1077 D HA 0.308 4.948 4.640 -0.000 0.000 0.271 1077 D C 0.860 176.932 176.300 -0.380 0.000 1.174 1077 D CA -0.420 53.327 54.000 -0.422 0.000 0.949 1077 D CB 1.538 41.854 40.800 -0.807 0.000 1.430 1077 D HN 0.683 nan 8.370 nan 0.000 0.467 1078 H N -0.175 118.816 119.070 -0.132 0.000 2.457 1078 H HA -0.055 4.501 4.556 -0.000 0.000 0.297 1078 H C 1.426 176.871 175.328 0.195 0.000 1.092 1078 H CA 1.798 57.889 56.048 0.071 0.000 1.309 1078 H CB -0.299 29.511 29.762 0.079 0.000 1.382 1078 H HN 0.504 nan 8.280 nan 0.000 0.535 1079 W N 0.459 121.544 121.300 -0.358 0.000 3.077 1079 W HA 0.581 5.241 4.660 -0.000 0.000 0.266 1079 W C -0.110 176.408 176.519 -0.002 0.000 1.300 1079 W CA 0.198 57.454 57.345 -0.148 0.000 1.586 1079 W CB 0.137 29.416 29.460 -0.302 0.000 1.103 1079 W HN 0.396 nan 8.180 nan 0.000 0.652 1080 G N 0.902 109.456 108.800 -0.411 0.000 2.325 1080 G HA2 0.403 4.362 3.960 -0.000 0.000 0.297 1080 G HA3 0.403 4.362 3.960 -0.000 0.000 0.297 1080 G C -2.037 172.598 174.900 -0.442 0.000 1.448 1080 G CA -1.068 43.875 45.100 -0.262 0.000 0.838 1080 G HN 0.048 nan 8.290 nan 0.000 0.579 1081 I N 1.518 121.970 120.570 -0.196 0.000 2.537 1081 I HA 0.447 4.617 4.170 -0.000 0.000 0.276 1081 I C 0.106 176.186 176.117 -0.062 0.000 1.063 1081 I CA -0.917 60.291 61.300 -0.155 0.000 1.144 1081 I CB 1.356 39.299 38.000 -0.095 0.000 1.252 1081 I HN 0.556 nan 8.210 nan 0.000 0.480 1082 V N 2.046 121.927 119.914 -0.054 0.000 2.914 1082 V HA 0.661 4.781 4.120 -0.000 0.000 0.314 1082 V C -0.597 175.541 176.094 0.073 0.000 1.084 1082 V CA -1.030 61.300 62.300 0.051 0.000 0.963 1082 V CB 2.176 34.086 31.823 0.145 0.000 1.025 1082 V HN 0.513 nan 8.190 nan 0.000 0.432 1083 K N 2.216 122.674 120.400 0.096 0.000 2.211 1083 K HA 0.895 5.215 4.320 -0.000 0.000 0.275 1083 K C -0.401 176.269 176.600 0.115 0.000 1.024 1083 K CA 0.723 57.077 56.287 0.113 0.000 0.887 1083 K CB 0.922 33.503 32.500 0.135 0.000 1.084 1083 K HN 1.639 nan 8.250 nan 0.000 0.463 1084 A N 3.208 126.101 122.820 0.122 0.000 2.544 1084 A HA 0.402 4.722 4.320 -0.000 0.000 0.291 1084 A C -1.763 175.892 177.584 0.118 0.000 1.055 1084 A CA -0.962 51.144 52.037 0.116 0.000 0.651 1084 A CB 0.757 19.838 19.000 0.135 0.000 1.296 1084 A HN 0.666 nan 8.150 nan 0.000 0.431 1085 D N 0.496 120.960 120.400 0.107 0.000 2.225 1085 D HA 0.602 5.242 4.640 -0.000 0.000 0.249 1085 D C -0.564 175.808 176.300 0.119 0.000 1.052 1085 D CA 0.314 54.377 54.000 0.106 0.000 0.909 1085 D CB 1.426 42.281 40.800 0.092 0.000 1.186 1085 D HN 0.435 nan 8.370 nan 0.000 0.431 1086 I N 0.797 121.439 120.570 0.119 0.000 2.406 1086 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 1086 I C 0.689 176.883 176.117 0.128 0.000 0.999 1086 I CA -0.784 60.596 61.300 0.133 0.000 1.124 1086 I CB 2.072 40.154 38.000 0.137 0.000 1.289 1086 I HN 0.199 nan 8.210 nan 0.000 0.441 1087 G N 5.405 114.306 108.800 0.169 0.000 2.372 1087 G HA2 0.619 4.579 3.960 -0.000 0.000 0.323 1087 G HA3 0.619 4.579 3.960 -0.000 0.000 0.323 1087 G C -0.991 174.028 174.900 0.198 0.000 1.152 1087 G CA -0.344 44.863 45.100 0.179 0.000 0.906 1087 G HN 0.337 nan 8.290 nan 0.000 0.460 1088 V N 2.128 122.108 119.914 0.110 0.000 2.540 1088 V HA 0.634 4.754 4.120 -0.000 0.000 0.302 1088 V C -0.097 176.023 176.094 0.045 0.000 1.035 1088 V CA -0.814 61.551 62.300 0.108 0.000 0.873 1088 V CB 1.831 33.700 31.823 0.077 0.000 0.992 1088 V HN 0.786 nan 8.190 nan 0.000 0.428 1089 K N 2.768 123.218 120.400 0.084 0.000 2.513 1089 K HA 0.372 4.692 4.320 -0.000 0.000 0.251 1089 K C -0.766 175.880 176.600 0.076 0.000 0.939 1089 K CA -0.516 55.783 56.287 0.019 0.000 0.793 1089 K CB 1.525 33.981 32.500 -0.073 0.000 1.241 1089 K HN 0.728 nan 8.250 nan 0.000 0.431 1090 D N 2.780 123.213 120.400 0.055 0.000 2.837 1090 D HA -0.192 4.448 4.640 -0.000 0.000 0.230 1090 D C 0.590 176.953 176.300 0.105 0.000 1.152 1090 D CA 1.812 55.863 54.000 0.086 0.000 0.736 1090 D CB -1.037 39.814 40.800 0.085 0.000 1.084 1090 D HN 1.102 nan 8.370 nan 0.000 0.429 1091 G N -0.486 108.373 108.800 0.099 0.000 2.184 1091 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.264 1091 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.264 1091 G C 0.371 175.322 174.900 0.085 0.000 0.975 1091 G CA 0.761 45.919 45.100 0.097 0.000 0.642 1091 G HN 0.539 nan 8.290 nan 0.000 0.536 1092 R N -0.874 119.684 120.500 0.096 0.000 2.854 1092 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 1092 R C 0.136 176.516 176.300 0.133 0.000 0.996 1092 R CA -1.195 54.967 56.100 0.103 0.000 0.961 1092 R CB 1.355 31.711 30.300 0.093 0.000 1.182 1092 R HN 0.159 nan 8.270 nan 0.000 0.479 1093 I N 2.594 123.238 120.570 0.123 0.000 2.578 1093 I HA -0.076 4.094 4.170 -0.000 0.000 0.286 1093 I C 0.941 177.148 176.117 0.150 0.000 1.126 1093 I CA 0.353 61.736 61.300 0.138 0.000 1.380 1093 I CB 0.190 38.259 38.000 0.115 0.000 1.408 1093 I HN 0.615 nan 8.210 nan 0.000 0.532 1094 F N 6.970 126.943 119.950 0.038 0.000 2.219 1094 F HA 0.376 4.902 4.527 -0.000 0.000 0.294 1094 F C 1.026 176.839 175.800 0.021 0.000 1.086 1094 F CA 0.748 58.765 58.000 0.028 0.000 1.330 1094 F CB 0.330 39.346 39.000 0.026 0.000 1.047 1094 F HN 0.480 nan 8.300 nan 0.000 0.495 1095 A N -0.295 122.572 122.820 0.078 0.000 2.583 1095 A HA 0.570 4.890 4.320 -0.000 0.000 0.292 1095 A C -1.803 175.828 177.584 0.079 0.000 1.045 1095 A CA -0.570 51.449 52.037 -0.030 0.000 0.672 1095 A CB 0.251 19.200 19.000 -0.085 0.000 1.283 1095 A HN 0.081 nan 8.150 nan 0.000 0.419 1096 I N 1.307 121.899 120.570 0.036 0.000 2.411 1096 I HA 0.670 4.840 4.170 -0.000 0.000 0.284 1096 I C 0.743 176.897 176.117 0.062 0.000 1.012 1096 I CA 0.815 62.165 61.300 0.084 0.000 1.119 1096 I CB 1.795 39.856 38.000 0.102 0.000 1.261 1096 I HN 1.206 nan 8.210 nan 0.000 0.448 1097 G N 4.929 113.779 108.800 0.082 0.000 2.725 1097 G HA2 0.234 4.194 3.960 -0.000 0.000 0.098 1097 G HA3 0.234 4.194 3.960 -0.000 0.000 0.098 1097 G C -1.451 173.485 174.900 0.061 0.000 1.188 1097 G CA -0.470 44.666 45.100 0.060 0.000 1.237 1097 G HN 0.274 nan 8.290 nan 0.000 0.596 1098 K N 1.148 121.579 120.400 0.051 0.000 2.394 1098 K HA 0.720 5.040 4.320 -0.000 0.000 0.260 1098 K C -0.381 176.252 176.600 0.056 0.000 0.967 1098 K CA -0.266 56.046 56.287 0.043 0.000 0.855 1098 K CB 1.207 33.717 32.500 0.017 0.000 1.101 1098 K HN 0.767 nan 8.250 nan 0.000 0.433 1099 A N 2.434 125.290 122.820 0.061 0.000 2.279 1099 A HA 0.866 5.186 4.320 -0.000 0.000 0.303 1099 A C 0.303 177.917 177.584 0.050 0.000 1.108 1099 A CA 0.349 52.423 52.037 0.062 0.000 0.830 1099 A CB 0.951 19.990 19.000 0.066 0.000 1.106 1099 A HN 0.891 nan 8.150 nan 0.000 0.493 1100 G N 0.150 108.977 108.800 0.045 0.000 2.356 1100 G HA2 0.292 4.252 3.960 -0.000 0.000 0.266 1100 G HA3 0.292 4.252 3.960 -0.000 0.000 0.266 1100 G C -1.550 173.370 174.900 0.033 0.000 1.312 1100 G CA -0.265 44.859 45.100 0.041 0.000 0.922 1100 G HN 1.083 nan 8.290 nan 0.000 0.480 1101 N N 0.855 119.573 118.700 0.031 0.000 2.479 1101 N HA 0.608 5.348 4.740 -0.000 0.000 0.261 1101 N C -1.706 173.818 175.510 0.023 0.000 0.979 1101 N CA -2.302 50.763 53.050 0.025 0.000 0.930 1101 N CB 2.480 40.982 38.487 0.025 0.000 1.172 1101 N HN 0.018 nan 8.380 nan 0.000 0.499 1102 P HA -0.036 nan 4.420 nan 0.000 0.225 1102 P C 0.248 177.559 177.300 0.018 0.000 1.148 1102 P CA 0.830 63.943 63.100 0.021 0.000 0.779 1102 P CB 0.438 32.152 31.700 0.023 0.000 0.780 1103 D N -0.729 119.681 120.400 0.017 0.000 2.178 1103 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 1103 D C 1.623 177.933 176.300 0.015 0.000 0.974 1103 D CA 1.214 55.223 54.000 0.015 0.000 0.841 1103 D CB -0.097 40.712 40.800 0.014 0.000 0.953 1103 D HN 0.358 nan 8.370 nan 0.000 0.478 1104 I N -3.827 116.753 120.570 0.017 0.000 4.557 1104 I HA 0.241 4.411 4.170 -0.000 0.000 0.333 1104 I C -0.020 176.108 176.117 0.018 0.000 1.332 1104 I CA -0.427 60.883 61.300 0.017 0.000 1.240 1104 I CB 0.404 38.415 38.000 0.019 0.000 1.312 1104 I HN -0.326 nan 8.210 nan 0.000 0.457 1105 Q N 3.362 123.174 119.800 0.019 0.000 2.301 1105 Q HA 0.573 4.913 4.340 -0.000 0.000 0.267 1105 Q C -2.581 173.428 176.000 0.015 0.000 1.035 1105 Q CA -1.970 53.844 55.803 0.018 0.000 0.856 1105 Q CB 2.285 31.036 28.738 0.021 0.000 1.337 1105 Q HN 0.091 nan 8.270 nan 0.000 0.450 1106 P HA 0.177 nan 4.420 nan 0.000 0.285 1106 P C -1.027 176.276 177.300 0.005 0.000 1.269 1106 P CA -0.299 62.805 63.100 0.007 0.000 0.844 1106 P CB 0.723 32.425 31.700 0.003 0.000 1.094 1107 N N -1.930 116.773 118.700 0.004 0.000 2.693 1107 N HA -0.129 4.611 4.740 -0.000 0.000 0.249 1107 N C -0.371 175.147 175.510 0.012 0.000 1.119 1107 N CA 0.106 53.158 53.050 0.003 0.000 0.717 1107 N CB -1.656 36.825 38.487 -0.010 0.000 1.071 1107 N HN 0.154 nan 8.380 nan 0.000 0.555 1108 V N 0.932 120.859 119.914 0.021 0.000 2.470 1108 V HA 0.129 4.249 4.120 -0.000 0.000 0.276 1108 V C 1.669 177.792 176.094 0.048 0.000 1.040 1108 V CA 1.028 63.349 62.300 0.034 0.000 1.008 1108 V CB 1.150 32.994 31.823 0.035 0.000 0.990 1108 V HN 0.483 nan 8.190 nan 0.000 0.477 1109 T N 1.429 116.021 114.554 0.063 0.000 2.975 1109 T HA 0.393 4.743 4.350 -0.000 0.000 0.257 1109 T C 0.297 175.095 174.700 0.164 0.000 1.003 1109 T CA 0.168 62.320 62.100 0.087 0.000 0.932 1109 T CB 0.123 69.024 68.868 0.055 0.000 1.087 1109 T HN 0.351 nan 8.240 nan 0.000 0.512 1110 I N 3.932 124.588 120.570 0.143 0.000 2.502 1110 I HA 0.354 4.524 4.170 -0.000 0.000 0.276 1110 I C -2.693 173.469 176.117 0.075 0.000 1.057 1110 I CA -2.693 58.708 61.300 0.169 0.000 1.163 1110 I CB 1.958 40.052 38.000 0.157 0.000 1.288 1110 I HN -0.066 nan 8.210 nan 0.000 0.479 1111 P HA 0.206 nan 4.420 nan 0.000 0.271 1111 P C -0.489 176.791 177.300 -0.034 0.000 1.226 1111 P CA 0.207 63.307 63.100 0.001 0.000 0.765 1111 P CB 1.149 32.845 31.700 -0.008 0.000 0.835 1112 I N 2.883 123.446 120.570 -0.011 0.000 2.336 1112 I HA 0.510 4.680 4.170 -0.000 0.000 0.292 1112 I C 1.095 177.204 176.117 -0.014 0.000 0.991 1112 I CA -0.086 61.205 61.300 -0.014 0.000 1.227 1112 I CB 1.738 39.745 38.000 0.013 0.000 1.366 1112 I HN 0.423 nan 8.210 nan 0.000 0.466 1113 G N 2.966 111.750 108.800 -0.028 0.000 3.176 1113 G HA2 0.546 4.506 3.960 -0.000 0.000 0.272 1113 G HA3 0.546 4.506 3.960 -0.000 0.000 0.272 1113 G C 0.556 175.445 174.900 -0.019 0.000 1.349 1113 G CA 0.017 45.105 45.100 -0.021 0.000 0.953 1113 G HN 0.604 nan 8.290 nan 0.000 0.559 1114 A N -0.817 121.994 122.820 -0.016 0.000 2.024 1114 A HA 0.257 4.577 4.320 -0.000 0.000 0.220 1114 A C 2.305 179.871 177.584 -0.029 0.000 1.164 1114 A CA 2.474 54.502 52.037 -0.015 0.000 0.643 1114 A CB -0.568 18.424 19.000 -0.013 0.000 0.806 1114 A HN 1.488 nan 8.150 nan 0.000 0.451 1115 A N -0.786 122.010 122.820 -0.040 0.000 2.278 1115 A HA 0.348 4.668 4.320 -0.000 0.000 0.212 1115 A C 0.721 178.268 177.584 -0.063 0.000 1.213 1115 A CA 0.517 52.523 52.037 -0.052 0.000 0.840 1115 A CB -0.471 18.496 19.000 -0.054 0.000 0.866 1115 A HN 0.266 nan 8.150 nan 0.000 0.489 1116 T N 0.923 115.441 114.554 -0.060 0.000 2.767 1116 T HA 0.422 4.772 4.350 -0.000 0.000 0.288 1116 T C -0.289 174.359 174.700 -0.088 0.000 0.963 1116 T CA -0.315 61.743 62.100 -0.070 0.000 1.019 1116 T CB 1.463 70.296 68.868 -0.059 0.000 0.923 1116 T HN 0.450 nan 8.240 nan 0.000 0.468 1117 E N 2.452 122.592 120.200 -0.100 0.000 2.283 1117 E HA 0.530 4.879 4.350 -0.000 0.000 0.271 1117 E C -1.169 175.337 176.600 -0.156 0.000 1.031 1117 E CA -0.637 55.679 56.400 -0.140 0.000 0.868 1117 E CB 0.912 30.543 29.700 -0.116 0.000 1.094 1117 E HN 0.321 nan 8.360 nan 0.000 0.401 1118 V N 4.636 124.399 119.914 -0.252 0.000 2.604 1118 V HA 0.457 4.577 4.120 -0.000 0.000 0.305 1118 V C -0.277 175.699 176.094 -0.196 0.000 1.043 1118 V CA -0.688 61.473 62.300 -0.233 0.000 0.888 1118 V CB 1.634 33.242 31.823 -0.358 0.000 0.995 1118 V HN 0.665 nan 8.190 nan 0.000 0.429 1119 I N 3.503 124.021 120.570 -0.087 0.000 2.410 1119 I HA 0.551 4.721 4.170 -0.000 0.000 0.286 1119 I C 0.421 176.542 176.117 0.007 0.000 1.009 1119 I CA -0.644 60.631 61.300 -0.041 0.000 1.111 1119 I CB 1.817 39.808 38.000 -0.015 0.000 1.262 1119 I HN 0.718 nan 8.210 nan 0.000 0.443 1120 A N 4.990 127.827 122.820 0.029 0.000 2.395 1120 A HA 0.551 4.870 4.320 -0.000 0.000 0.286 1120 A C 0.843 178.467 177.584 0.065 0.000 1.193 1120 A CA 0.003 52.081 52.037 0.070 0.000 0.852 1120 A CB 0.315 19.372 19.000 0.095 0.000 1.118 1120 A HN 0.895 nan 8.150 nan 0.000 0.524 1121 A N 2.892 125.759 122.820 0.079 0.000 2.430 1121 A HA 0.263 4.583 4.320 -0.000 0.000 0.243 1121 A C 0.724 178.366 177.584 0.097 0.000 1.254 1121 A CA -0.192 51.897 52.037 0.086 0.000 0.914 1121 A CB -0.119 18.938 19.000 0.094 0.000 0.998 1121 A HN 0.833 nan 8.150 nan 0.000 0.515 1122 E N 0.149 120.405 120.200 0.094 0.000 2.480 1122 E HA 0.274 4.624 4.350 -0.000 0.000 0.258 1122 E C 0.843 177.487 176.600 0.073 0.000 0.984 1122 E CA 0.589 57.044 56.400 0.093 0.000 0.930 1122 E CB 0.086 29.831 29.700 0.075 0.000 0.936 1122 E HN 0.944 nan 8.360 nan 0.000 0.466 1123 G N 2.821 111.672 108.800 0.084 0.000 2.176 1123 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.253 1123 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.253 1123 G C -0.017 174.939 174.900 0.094 0.000 0.979 1123 G CA 0.373 45.519 45.100 0.076 0.000 0.641 1123 G HN 0.487 nan 8.290 nan 0.000 0.530 1124 K N -0.183 120.283 120.400 0.110 0.000 2.281 1124 K HA 0.750 5.070 4.320 -0.000 0.000 0.242 1124 K C -0.007 176.689 176.600 0.160 0.000 0.971 1124 K CA -0.876 55.498 56.287 0.145 0.000 0.834 1124 K CB 1.997 34.580 32.500 0.139 0.000 1.181 1124 K HN 0.203 nan 8.250 nan 0.000 0.435 1125 I N 1.498 122.207 120.570 0.232 0.000 2.377 1125 I HA 0.253 4.423 4.170 -0.000 0.000 0.293 1125 I C -0.475 175.864 176.117 0.371 0.000 0.987 1125 I CA -1.075 60.371 61.300 0.244 0.000 1.185 1125 I CB 1.803 39.931 38.000 0.214 0.000 1.341 1125 I HN 0.006 nan 8.210 nan 0.000 0.455 1126 V N 4.860 124.944 119.914 0.283 0.000 2.495 1126 V HA 0.580 4.700 4.120 -0.000 0.000 0.298 1126 V C 0.112 176.391 176.094 0.308 0.000 1.031 1126 V CA -0.376 62.095 62.300 0.285 0.000 0.871 1126 V CB 1.918 33.851 31.823 0.184 0.000 0.988 1126 V HN 0.900 nan 8.190 nan 0.000 0.432 1127 T N 1.626 116.415 114.554 0.391 0.000 2.887 1127 T HA 0.870 5.220 4.350 -0.000 0.000 0.292 1127 T C -0.106 174.780 174.700 0.310 0.000 1.087 1127 T CA -0.361 61.964 62.100 0.375 0.000 1.009 1127 T CB 1.956 71.161 68.868 0.563 0.000 1.203 1127 T HN 0.989 nan 8.240 nan 0.000 0.518 1128 A N 0.431 123.417 122.820 0.277 0.000 2.346 1128 A HA 0.698 5.018 4.320 -0.000 0.000 0.252 1128 A C 0.959 178.707 177.584 0.273 0.000 1.089 1128 A CA -0.146 52.036 52.037 0.243 0.000 0.797 1128 A CB -0.626 18.509 19.000 0.225 0.000 1.047 1128 A HN 1.376 nan 8.150 nan 0.000 0.494 1129 G N -0.314 108.618 108.800 0.221 0.000 2.483 1129 G HA2 0.478 4.438 3.960 -0.000 0.000 0.248 1129 G HA3 0.478 4.438 3.960 -0.000 0.000 0.248 1129 G C 0.515 175.574 174.900 0.266 0.000 1.248 1129 G CA 0.197 45.428 45.100 0.218 0.000 0.838 1129 G HN 1.127 nan 8.290 nan 0.000 0.566 1130 G N -0.596 108.386 108.800 0.302 0.000 2.606 1130 G HA2 0.470 4.430 3.960 -0.000 0.000 0.252 1130 G HA3 0.470 4.430 3.960 -0.000 0.000 0.252 1130 G C -0.327 174.712 174.900 0.230 0.000 1.206 1130 G CA -0.574 44.741 45.100 0.357 0.000 0.861 1130 G HN 0.637 nan 8.290 nan 0.000 0.561 1131 I N 0.972 121.676 120.570 0.223 0.000 2.468 1131 I HA 0.175 4.345 4.170 -0.000 0.000 0.284 1131 I C -1.235 174.956 176.117 0.122 0.000 1.038 1131 I CA -0.713 60.676 61.300 0.149 0.000 1.083 1131 I CB 2.059 40.135 38.000 0.126 0.000 1.223 1131 I HN 0.300 nan 8.210 nan 0.000 0.443 1132 D N 4.503 124.949 120.400 0.076 0.000 2.280 1132 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 1132 D C 0.846 177.154 176.300 0.013 0.000 1.082 1132 D CA -0.171 53.851 54.000 0.037 0.000 0.834 1132 D CB 1.610 42.401 40.800 -0.015 0.000 1.100 1132 D HN 0.620 nan 8.370 nan 0.000 0.486 1133 T N 0.217 114.798 114.554 0.045 0.000 3.134 1133 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 1133 T C 0.563 175.269 174.700 0.010 0.000 1.027 1133 T CA -0.129 61.983 62.100 0.020 0.000 0.913 1133 T CB -0.434 68.513 68.868 0.131 0.000 1.046 1133 T HN 0.501 nan 8.240 nan 0.000 0.553 1134 H N 0.743 119.677 119.070 -0.226 0.000 2.439 1134 H HA 0.460 5.016 4.556 -0.000 0.000 0.230 1134 H C -0.929 174.215 175.328 -0.307 0.000 1.420 1134 H CA -0.964 54.808 56.048 -0.459 0.000 1.305 1134 H CB -0.061 29.247 29.762 -0.755 0.000 1.667 1134 H HN 0.177 nan 8.280 nan 0.000 0.515 1135 I N 2.544 123.017 120.570 -0.161 0.000 2.336 1135 I HA 0.140 4.309 4.170 -0.000 0.000 0.292 1135 I C 0.202 176.079 176.117 -0.400 0.000 0.991 1135 I CA -0.338 60.745 61.300 -0.361 0.000 1.227 1135 I CB 1.131 38.680 38.000 -0.751 0.000 1.366 1135 I HN 0.574 nan 8.210 nan 0.000 0.466 1136 H N 5.557 124.455 119.070 -0.287 0.000 2.597 1136 H HA 0.122 4.678 4.556 -0.000 0.000 0.303 1136 H C -0.728 174.499 175.328 -0.169 0.000 1.057 1136 H CA -0.327 55.641 56.048 -0.134 0.000 1.261 1136 H CB 0.684 30.436 29.762 -0.018 0.000 1.397 1136 H HN 0.560 nan 8.280 nan 0.000 0.461 1137 W N 5.349 126.716 121.300 0.111 0.000 1.564 1137 W HA 0.127 4.787 4.660 -0.000 0.000 0.480 1137 W C 1.000 177.558 176.519 0.065 0.000 0.699 1137 W CA -0.293 57.095 57.345 0.071 0.000 1.985 1137 W CB -0.294 29.189 29.460 0.038 0.000 1.738 1137 W HN 0.637 nan 8.180 nan 0.000 0.218 1138 I N 1.205 121.931 120.570 0.260 0.000 2.716 1138 I HA -0.071 4.099 4.170 -0.000 0.000 0.259 1138 I C 1.045 177.268 176.117 0.177 0.000 1.172 1138 I CA 0.596 62.011 61.300 0.191 0.000 1.478 1138 I CB -0.149 37.962 38.000 0.186 0.000 1.104 1138 I HN 0.230 nan 8.210 nan 0.000 0.439 1139 C N -2.346 117.081 119.300 0.211 0.000 3.171 1139 C HA 0.359 4.819 4.460 -0.000 0.000 0.336 1139 C C -1.974 173.150 174.990 0.224 0.000 1.198 1139 C CA -1.315 57.806 59.018 0.172 0.000 1.319 1139 C CB 1.208 29.018 27.740 0.117 0.000 1.682 1139 C HN -0.063 nan 8.230 nan 0.000 0.497 1140 P HA -0.078 nan 4.420 nan 0.000 0.223 1140 P C 1.079 178.470 177.300 0.152 0.000 1.151 1140 P CA 1.561 64.749 63.100 0.147 0.000 0.787 1140 P CB 0.226 31.958 31.700 0.054 0.000 0.788 1141 Q N 0.198 120.067 119.800 0.115 0.000 2.297 1141 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 1141 Q C 2.357 178.414 176.000 0.095 0.000 0.981 1141 Q CA 1.295 57.150 55.803 0.086 0.000 0.876 1141 Q CB -0.877 27.896 28.738 0.058 0.000 0.921 1141 Q HN 0.451 nan 8.270 nan 0.000 0.446 1142 Q N -0.515 119.365 119.800 0.134 0.000 2.170 1142 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 1142 Q C 1.994 178.066 176.000 0.121 0.000 0.976 1142 Q CA 1.168 57.031 55.803 0.101 0.000 0.858 1142 Q CB -0.208 28.579 28.738 0.082 0.000 0.907 1142 Q HN 0.491 nan 8.270 nan 0.000 0.433 1143 A N 1.242 124.192 122.820 0.216 0.000 1.877 1143 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 1143 A C 1.907 179.552 177.584 0.101 0.000 1.186 1143 A CA 1.690 53.849 52.037 0.205 0.000 0.620 1143 A CB -0.504 18.633 19.000 0.228 0.000 0.822 1143 A HN 0.429 nan 8.150 nan 0.000 0.443 1144 E N -0.699 119.545 120.200 0.073 0.000 2.106 1144 E HA -0.229 4.121 4.350 -0.000 0.000 0.192 1144 E C 1.956 178.557 176.600 0.003 0.000 0.984 1144 E CA 1.290 57.711 56.400 0.035 0.000 0.806 1144 E CB -0.085 29.636 29.700 0.035 0.000 0.750 1144 E HN 0.584 nan 8.360 nan 0.000 0.458 1145 E N 0.341 120.545 120.200 0.007 0.000 2.051 1145 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 1145 E C 1.751 178.327 176.600 -0.040 0.000 0.991 1145 E CA 1.546 57.932 56.400 -0.023 0.000 0.799 1145 E CB -0.284 29.407 29.700 -0.014 0.000 0.748 1145 E HN 0.352 nan 8.360 nan 0.000 0.449 1146 A N 0.158 122.969 122.820 -0.015 0.000 1.898 1146 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1146 A C 2.182 179.755 177.584 -0.018 0.000 1.181 1146 A CA 1.384 53.411 52.037 -0.016 0.000 0.620 1146 A CB -0.765 18.238 19.000 0.005 0.000 0.819 1146 A HN 0.356 nan 8.150 nan 0.000 0.442 1147 L N -0.032 121.187 121.223 -0.007 0.000 2.012 1147 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 1147 L C 2.386 179.203 176.870 -0.088 0.000 1.073 1147 L CA 1.849 56.678 54.840 -0.018 0.000 0.748 1147 L CB -0.464 41.598 42.059 0.004 0.000 0.891 1147 L HN 0.156 nan 8.230 nan 0.000 0.431 1148 V N -0.367 119.458 119.914 -0.148 0.000 2.469 1148 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 1148 V C 2.628 178.530 176.094 -0.319 0.000 1.064 1148 V CA 1.715 63.806 62.300 -0.348 0.000 1.066 1148 V CB -0.868 30.678 31.823 -0.461 0.000 0.667 1148 V HN 0.771 nan 8.190 nan 0.000 0.461 1149 S N -0.416 115.193 115.700 -0.152 0.000 2.522 1149 S HA 0.223 4.693 4.470 -0.000 0.000 0.227 1149 S C 1.561 176.181 174.600 0.034 0.000 0.986 1149 S CA 0.880 59.052 58.200 -0.046 0.000 0.929 1149 S CB 0.594 63.779 63.200 -0.025 0.000 0.769 1149 S HN 1.163 nan 8.310 nan 0.000 0.529 1150 G N -0.158 108.622 108.800 -0.033 0.000 2.159 1150 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.170 1150 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.170 1150 G C -0.178 174.775 174.900 0.088 0.000 1.007 1150 G CA -0.194 44.913 45.100 0.013 0.000 0.672 1150 G HN 0.589 nan 8.290 nan 0.000 0.507 1151 V N 2.079 122.024 119.914 0.053 0.000 2.383 1151 V HA 0.559 4.679 4.120 -0.000 0.000 0.275 1151 V C 1.456 177.600 176.094 0.083 0.000 1.036 1151 V CA 0.742 63.089 62.300 0.079 0.000 0.889 1151 V CB 1.305 33.154 31.823 0.043 0.000 0.985 1151 V HN 0.604 nan 8.190 nan 0.000 0.459 1152 T N -0.175 114.447 114.554 0.114 0.000 3.001 1152 T HA 0.148 4.498 4.350 -0.000 0.000 0.251 1152 T C 0.617 175.404 174.700 0.144 0.000 1.040 1152 T CA -0.008 62.161 62.100 0.114 0.000 0.985 1152 T CB 0.287 69.222 68.868 0.111 0.000 1.011 1152 T HN 0.535 nan 8.240 nan 0.000 0.509 1153 T N 2.368 117.018 114.554 0.160 0.000 2.881 1153 T HA 0.676 5.026 4.350 -0.000 0.000 0.290 1153 T C -1.016 173.785 174.700 0.167 0.000 1.000 1153 T CA -0.570 61.649 62.100 0.199 0.000 0.978 1153 T CB 1.750 70.749 68.868 0.218 0.000 0.997 1153 T HN 0.192 nan 8.240 nan 0.000 0.443 1154 M N 3.156 122.885 119.600 0.214 0.000 2.197 1154 M HA 0.530 5.010 4.480 -0.000 0.000 0.301 1154 M C -1.135 175.293 176.300 0.214 0.000 0.987 1154 M CA -0.860 54.541 55.300 0.168 0.000 0.921 1154 M CB 2.195 34.919 32.600 0.208 0.000 1.569 1154 M HN 0.238 nan 8.290 nan 0.000 0.431 1155 V N 2.520 122.471 119.914 0.062 0.000 2.495 1155 V HA 1.004 5.124 4.120 -0.000 0.000 0.298 1155 V C 0.262 176.340 176.094 -0.027 0.000 1.031 1155 V CA -0.211 62.111 62.300 0.036 0.000 0.871 1155 V CB 1.569 33.293 31.823 -0.165 0.000 0.988 1155 V HN 1.072 nan 8.190 nan 0.000 0.432 1156 G N 2.853 111.697 108.800 0.074 0.000 2.348 1156 G HA2 0.683 4.643 3.960 -0.000 0.000 0.296 1156 G HA3 0.683 4.643 3.960 -0.000 0.000 0.296 1156 G C -0.672 174.323 174.900 0.158 0.000 1.258 1156 G CA 0.096 45.176 45.100 -0.033 0.000 0.868 1156 G HN 1.095 nan 8.290 nan 0.000 0.488 1157 G N -2.027 106.831 108.800 0.097 0.000 2.690 1157 G HA2 0.993 4.953 3.960 -0.000 0.000 0.293 1157 G HA3 0.993 4.953 3.960 -0.000 0.000 0.293 1157 G C -0.265 174.783 174.900 0.247 0.000 1.399 1157 G CA 0.279 45.524 45.100 0.243 0.000 0.890 1157 G HN 2.202 nan 8.290 nan 0.000 0.485 1158 G N -1.622 107.333 108.800 0.257 0.000 2.352 1158 G HA2 0.530 4.490 3.960 -0.000 0.000 0.302 1158 G HA3 0.530 4.490 3.960 -0.000 0.000 0.302 1158 G C 0.104 175.064 174.900 0.100 0.000 1.370 1158 G CA 0.944 46.156 45.100 0.188 0.000 0.918 1158 G HN 1.716 nan 8.290 nan 0.000 0.610 1159 T N -2.962 111.586 114.554 -0.009 0.000 3.087 1159 T HA 0.639 4.989 4.350 -0.000 0.000 0.283 1159 T C 1.223 175.913 174.700 -0.017 0.000 0.956 1159 T CA 1.233 63.273 62.100 -0.100 0.000 0.894 1159 T CB 0.483 69.040 68.868 -0.520 0.000 1.160 1159 T HN 2.712 nan 8.240 nan 0.000 0.532 1160 G N 2.402 111.219 108.800 0.028 0.000 2.298 1160 G HA2 0.172 4.132 3.960 -0.000 0.000 0.309 1160 G HA3 0.172 4.132 3.960 -0.000 0.000 0.309 1160 G C -2.952 171.930 174.900 -0.029 0.000 1.279 1160 G CA -0.415 44.710 45.100 0.042 0.000 1.042 1160 G HN 0.058 nan 8.290 nan 0.000 0.480 1161 P HA 0.482 nan 4.420 nan 0.000 0.226 1161 P C 0.012 177.102 177.300 -0.350 0.000 1.783 1161 P CA 0.973 64.003 63.100 -0.118 0.000 0.980 1161 P CB 0.098 31.868 31.700 0.117 0.000 1.967 1162 A N 1.174 123.706 122.820 -0.479 0.000 2.337 1162 A HA 0.648 4.968 4.320 -0.000 0.000 0.331 1162 A C 1.578 178.889 177.584 -0.455 0.000 1.137 1162 A CA -0.194 51.648 52.037 -0.325 0.000 0.807 1162 A CB 1.156 20.061 19.000 -0.159 0.000 1.250 1162 A HN 0.222 nan 8.150 nan 0.000 0.468 1163 A N 1.602 124.328 122.820 -0.156 0.000 1.903 1163 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 1163 A C 2.208 179.756 177.584 -0.059 0.000 1.191 1163 A CA 2.810 54.836 52.037 -0.018 0.000 0.638 1163 A CB -1.385 17.619 19.000 0.008 0.000 0.823 1163 A HN 1.627 nan 8.150 nan 0.000 0.451 1164 G N -1.606 107.172 108.800 -0.036 0.000 2.440 1164 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.218 1164 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.218 1164 G C 1.565 176.515 174.900 0.083 0.000 1.154 1164 G CA 1.698 46.831 45.100 0.054 0.000 0.767 1164 G HN 0.463 nan 8.290 nan 0.000 0.552 1165 T N -0.006 114.566 114.554 0.030 0.000 2.904 1165 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 1165 T C 2.109 176.917 174.700 0.181 0.000 1.059 1165 T CA 0.974 63.126 62.100 0.087 0.000 1.137 1165 T CB -0.276 68.599 68.868 0.012 0.000 0.879 1165 T HN 0.288 nan 8.240 nan 0.000 0.467 1166 H N 1.202 120.312 119.070 0.067 0.000 2.387 1166 H HA 0.090 4.646 4.556 -0.000 0.000 0.299 1166 H C 2.374 177.670 175.328 -0.054 0.000 1.099 1166 H CA 1.360 57.404 56.048 -0.008 0.000 1.315 1166 H CB -0.398 29.340 29.762 -0.040 0.000 1.380 1166 H HN 0.428 nan 8.280 nan 0.000 0.513 1167 A N 0.046 122.914 122.820 0.081 0.000 2.014 1167 A HA 0.096 4.415 4.320 -0.000 0.000 0.210 1167 A C 1.305 178.866 177.584 -0.037 0.000 1.188 1167 A CA 0.943 52.955 52.037 -0.043 0.000 0.731 1167 A CB 0.087 18.965 19.000 -0.203 0.000 0.858 1167 A HN 0.445 nan 8.150 nan 0.000 0.464 1168 T N -2.674 111.896 114.554 0.027 0.000 2.916 1168 T HA 0.462 4.812 4.350 -0.000 0.000 0.292 1168 T C -0.124 174.573 174.700 -0.005 0.000 1.055 1168 T CA 0.217 62.312 62.100 -0.008 0.000 1.009 1168 T CB 1.381 70.219 68.868 -0.050 0.000 1.118 1168 T HN 0.289 nan 8.240 nan 0.000 0.497 1169 T N 0.053 114.518 114.554 -0.149 0.000 3.783 1169 T HA 0.471 4.821 4.350 -0.000 0.000 0.262 1169 T C -0.018 174.685 174.700 0.005 0.000 1.381 1169 T CA -0.688 61.272 62.100 -0.234 0.000 1.155 1169 T CB -1.848 66.889 68.868 -0.219 0.000 1.256 1169 T HN 0.695 nan 8.240 nan 0.000 0.807 1170 C N 1.749 121.089 119.300 0.066 0.000 2.441 1170 C HA 0.619 5.079 4.460 -0.000 0.000 0.318 1170 C C 0.531 175.546 174.990 0.042 0.000 1.222 1170 C CA -0.824 58.228 59.018 0.057 0.000 1.474 1170 C CB 1.322 29.087 27.740 0.041 0.000 2.125 1170 C HN 0.664 nan 8.230 nan 0.000 0.479 1171 T N 4.577 119.152 114.554 0.034 0.000 2.929 1171 T HA 0.300 4.650 4.350 -0.000 0.000 0.331 1171 T C -2.674 172.036 174.700 0.018 0.000 1.120 1171 T CA -0.742 61.381 62.100 0.038 0.000 0.973 1171 T CB 0.282 69.199 68.868 0.082 0.000 1.036 1171 T HN 0.424 nan 8.240 nan 0.000 0.502 1172 P HA 0.366 nan 4.420 nan 0.000 0.271 1172 P C 0.705 178.080 177.300 0.124 0.000 1.233 1172 P CA 0.691 63.776 63.100 -0.025 0.000 0.764 1172 P CB 0.299 31.939 31.700 -0.099 0.000 0.825 1173 G N 5.309 114.145 108.800 0.059 0.000 2.856 1173 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.674 1173 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.674 1173 G C -2.003 172.972 174.900 0.125 0.000 1.519 1173 G CA -0.818 44.337 45.100 0.091 0.000 0.940 1173 G HN 0.267 nan 8.290 nan 0.000 0.564 1174 P HA -0.141 nan 4.420 nan 0.000 0.216 1174 P C 1.675 179.030 177.300 0.092 0.000 1.157 1174 P CA 2.205 65.351 63.100 0.077 0.000 0.880 1174 P CB -0.006 31.733 31.700 0.066 0.000 0.791 1175 W N -0.987 120.282 121.300 -0.052 0.000 2.354 1175 W HA -0.201 4.459 4.660 -0.000 0.000 0.315 1175 W C 2.313 178.756 176.519 -0.127 0.000 1.206 1175 W CA 1.528 58.797 57.345 -0.126 0.000 1.290 1175 W CB -1.175 28.154 29.460 -0.219 0.000 1.152 1175 W HN -0.062 nan 8.180 nan 0.000 0.489 1176 Y N -0.085 120.350 120.300 0.225 0.000 2.242 1176 Y HA -0.234 4.316 4.550 -0.000 0.000 0.291 1176 Y C 2.407 178.265 175.900 -0.071 0.000 1.137 1176 Y CA 1.678 59.816 58.100 0.064 0.000 1.181 1176 Y CB -0.514 38.042 38.460 0.161 0.000 0.989 1176 Y HN -0.105 nan 8.280 nan 0.000 0.527 1177 I N -0.983 119.657 120.570 0.117 0.000 2.163 1177 I HA -0.360 3.810 4.170 -0.000 0.000 0.243 1177 I C 2.332 178.416 176.117 -0.056 0.000 1.085 1177 I CA 1.427 62.747 61.300 0.033 0.000 1.347 1177 I CB -0.466 37.556 38.000 0.035 0.000 1.044 1177 I HN 0.097 nan 8.210 nan 0.000 0.408 1178 S N 0.260 115.889 115.700 -0.118 0.000 2.356 1178 S HA -0.202 4.268 4.470 -0.000 0.000 0.223 1178 S C 2.083 176.530 174.600 -0.254 0.000 1.032 1178 S CA 1.293 59.382 58.200 -0.185 0.000 1.005 1178 S CB -0.275 62.787 63.200 -0.229 0.000 0.867 1178 S HN 0.269 nan 8.310 nan 0.000 0.449 1179 R N 0.953 121.226 120.500 -0.379 0.000 2.081 1179 R HA 0.131 4.471 4.340 -0.000 0.000 0.235 1179 R C 2.278 178.450 176.300 -0.214 0.000 1.131 1179 R CA 1.267 57.136 56.100 -0.386 0.000 0.960 1179 R CB -0.367 29.588 30.300 -0.575 0.000 0.856 1179 R HN 0.303 nan 8.270 nan 0.000 0.436 1180 M N -0.241 119.271 119.600 -0.147 0.000 2.254 1180 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 1180 M C 2.050 178.244 176.300 -0.177 0.000 1.066 1180 M CA 1.295 56.504 55.300 -0.153 0.000 1.123 1180 M CB -0.590 31.940 32.600 -0.117 0.000 1.388 1180 M HN 0.169 nan 8.290 nan 0.000 0.425 1181 L N -0.413 120.726 121.223 -0.139 0.000 2.056 1181 L HA -0.229 4.111 4.340 -0.000 0.000 0.207 1181 L C 2.539 179.327 176.870 -0.136 0.000 1.078 1181 L CA 1.172 55.939 54.840 -0.122 0.000 0.749 1181 L CB -0.508 41.496 42.059 -0.092 0.000 0.901 1181 L HN 0.378 nan 8.230 nan 0.000 0.433 1182 Q N -0.376 119.335 119.800 -0.147 0.000 2.079 1182 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 1182 Q C 2.412 178.335 176.000 -0.129 0.000 0.974 1182 Q CA 1.524 57.243 55.803 -0.140 0.000 0.840 1182 Q CB -0.229 28.418 28.738 -0.152 0.000 0.898 1182 Q HN 0.546 nan 8.270 nan 0.000 0.430 1183 A N 1.116 123.850 122.820 -0.144 0.000 1.969 1183 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 1183 A C 2.297 179.790 177.584 -0.151 0.000 1.169 1183 A CA 1.357 53.312 52.037 -0.137 0.000 0.635 1183 A CB -0.664 18.242 19.000 -0.157 0.000 0.810 1183 A HN 0.389 nan 8.150 nan 0.000 0.445 1184 A N 0.128 122.837 122.820 -0.185 0.000 1.978 1184 A HA -0.221 4.099 4.320 -0.000 0.000 0.220 1184 A C 1.661 179.193 177.584 -0.087 0.000 1.170 1184 A CA 1.871 53.799 52.037 -0.181 0.000 0.636 1184 A CB -0.576 18.320 19.000 -0.174 0.000 0.810 1184 A HN 0.449 nan 8.150 nan 0.000 0.448 1185 D N -0.156 120.208 120.400 -0.060 0.000 2.265 1185 D HA -0.060 4.580 4.640 -0.000 0.000 0.208 1185 D C 1.809 178.198 176.300 0.148 0.000 0.977 1185 D CA 1.365 55.381 54.000 0.027 0.000 0.871 1185 D CB -0.099 40.649 40.800 -0.086 0.000 0.925 1185 D HN 0.423 nan 8.370 nan 0.000 0.485 1186 S N -0.445 115.284 115.700 0.048 0.000 2.528 1186 S HA 0.112 4.582 4.470 -0.000 0.000 0.219 1186 S C 0.979 175.580 174.600 0.002 0.000 0.985 1186 S CA -0.081 58.139 58.200 0.033 0.000 0.914 1186 S CB 0.565 63.766 63.200 0.002 0.000 0.776 1186 S HN 0.179 nan 8.310 nan 0.000 0.526 1187 L N 3.023 124.239 121.223 -0.013 0.000 2.307 1187 L HA 0.332 4.672 4.340 -0.000 0.000 0.282 1187 L C -1.846 175.037 176.870 0.022 0.000 1.051 1187 L CA -2.101 52.737 54.840 -0.004 0.000 0.804 1187 L CB 0.840 42.877 42.059 -0.037 0.000 1.197 1187 L HN -0.133 nan 8.230 nan 0.000 0.431 1188 P HA 0.014 nan 4.420 nan 0.000 0.258 1188 P C -0.386 176.947 177.300 0.055 0.000 1.403 1188 P CA 0.300 63.420 63.100 0.034 0.000 0.826 1188 P CB -0.048 31.666 31.700 0.023 0.000 1.414 1189 V N -3.618 116.342 119.914 0.078 0.000 3.040 1189 V HA 0.548 4.668 4.120 -0.000 0.000 0.312 1189 V C -0.265 175.895 176.094 0.110 0.000 1.115 1189 V CA -1.410 60.956 62.300 0.109 0.000 0.998 1189 V CB 1.781 33.701 31.823 0.161 0.000 1.042 1189 V HN -0.182 nan 8.190 nan 0.000 0.433 1190 N N 1.852 120.632 118.700 0.132 0.000 2.518 1190 N HA 0.580 5.320 4.740 -0.000 0.000 0.266 1190 N C -0.738 174.916 175.510 0.240 0.000 1.196 1190 N CA 0.124 53.251 53.050 0.128 0.000 0.947 1190 N CB 1.375 39.986 38.487 0.205 0.000 1.098 1190 N HN 0.725 nan 8.380 nan 0.000 0.450 1191 I N -0.161 120.538 120.570 0.215 0.000 2.647 1191 I HA 0.492 4.662 4.170 -0.000 0.000 0.295 1191 I C 0.278 176.616 176.117 0.368 0.000 1.078 1191 I CA -0.904 60.574 61.300 0.296 0.000 1.048 1191 I CB 2.489 40.581 38.000 0.153 0.000 1.239 1191 I HN 0.418 nan 8.210 nan 0.000 0.421 1192 G N 5.704 114.724 108.800 0.367 0.000 2.662 1192 G HA2 0.744 4.704 3.960 -0.000 0.000 0.302 1192 G HA3 0.744 4.704 3.960 -0.000 0.000 0.302 1192 G C -1.367 173.674 174.900 0.234 0.000 1.389 1192 G CA -0.468 44.813 45.100 0.302 0.000 0.998 1192 G HN 0.380 nan 8.290 nan 0.000 0.502 1193 L N 1.086 122.418 121.223 0.182 0.000 2.334 1193 L HA 0.623 4.963 4.340 -0.000 0.000 0.272 1193 L C -0.304 176.642 176.870 0.126 0.000 1.020 1193 L CA -0.969 53.977 54.840 0.177 0.000 0.812 1193 L CB 2.050 44.186 42.059 0.128 0.000 1.264 1193 L HN 0.206 nan 8.230 nan 0.000 0.439 1194 L N 0.974 122.269 121.223 0.120 0.000 2.329 1194 L HA 0.652 4.992 4.340 -0.000 0.000 0.279 1194 L C 0.436 177.339 176.870 0.055 0.000 1.014 1194 L CA -0.479 54.407 54.840 0.077 0.000 0.814 1194 L CB 1.777 43.876 42.059 0.066 0.000 1.257 1194 L HN 0.672 nan 8.230 nan 0.000 0.424 1195 G N 1.102 109.917 108.800 0.024 0.000 2.531 1195 G HA2 0.296 4.256 3.960 -0.000 0.000 0.313 1195 G HA3 0.296 4.256 3.960 -0.000 0.000 0.313 1195 G C -0.948 173.920 174.900 -0.054 0.000 1.238 1195 G CA -0.585 44.510 45.100 -0.009 0.000 0.994 1195 G HN 0.526 nan 8.290 nan 0.000 0.493 1196 K N 0.114 120.437 120.400 -0.128 0.000 2.310 1196 K HA 0.279 4.599 4.320 -0.000 0.000 0.290 1196 K C 1.099 177.602 176.600 -0.163 0.000 1.077 1196 K CA -0.019 56.126 56.287 -0.236 0.000 0.922 1196 K CB 0.470 32.669 32.500 -0.502 0.000 1.057 1196 K HN 0.449 nan 8.250 nan 0.000 0.479 1197 G N 3.541 112.282 108.800 -0.097 0.000 2.985 1197 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.209 1197 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.209 1197 G C -0.034 174.839 174.900 -0.044 0.000 1.165 1197 G CA -0.279 44.785 45.100 -0.060 0.000 0.776 1197 G HN 0.618 nan 8.290 nan 0.000 0.541 1198 N N 0.424 119.092 118.700 -0.053 0.000 2.605 1198 N HA 0.432 5.172 4.740 -0.000 0.000 0.258 1198 N C -1.035 174.464 175.510 -0.018 0.000 1.156 1198 N CA 0.134 53.187 53.050 0.005 0.000 1.008 1198 N CB 1.699 40.253 38.487 0.111 0.000 1.354 1198 N HN 0.027 nan 8.380 nan 0.000 0.509 1199 V N 0.557 120.463 119.914 -0.013 0.000 3.108 1199 V HA 0.261 4.381 4.120 -0.000 0.000 0.287 1199 V C -0.399 175.691 176.094 -0.007 0.000 1.436 1199 V CA -0.578 61.713 62.300 -0.014 0.000 1.001 1199 V CB 2.230 34.031 31.823 -0.036 0.000 1.141 1199 V HN 0.434 nan 8.190 nan 0.000 0.443 1200 S N 2.989 118.688 115.700 -0.002 0.000 2.582 1200 S HA 0.208 4.678 4.470 -0.000 0.000 0.234 1200 S C -0.017 174.580 174.600 -0.005 0.000 0.961 1200 S CA 0.011 58.210 58.200 -0.002 0.000 0.953 1200 S CB -0.008 63.193 63.200 0.003 0.000 0.800 1200 S HN 0.708 nan 8.310 nan 0.000 0.471 1201 Q N 2.382 122.176 119.800 -0.009 0.000 2.363 1201 Q HA 0.349 4.689 4.340 -0.000 0.000 0.265 1201 Q C -2.079 173.913 176.000 -0.012 0.000 1.032 1201 Q CA -2.144 53.654 55.803 -0.010 0.000 0.746 1201 Q CB 1.448 30.180 28.738 -0.010 0.000 1.237 1201 Q HN -0.052 nan 8.270 nan 0.000 0.475 1202 P HA -0.199 nan 4.420 nan 0.000 0.216 1202 P C 0.011 177.304 177.300 -0.012 0.000 1.150 1202 P CA 1.218 64.310 63.100 -0.012 0.000 0.843 1202 P CB 0.458 32.151 31.700 -0.010 0.000 0.787 1203 D N 0.152 120.545 120.400 -0.010 0.000 2.178 1203 D HA -0.093 4.547 4.640 -0.000 0.000 0.201 1203 D C 2.078 178.371 176.300 -0.011 0.000 0.980 1203 D CA 1.443 55.438 54.000 -0.009 0.000 0.842 1203 D CB -0.538 40.258 40.800 -0.007 0.000 0.948 1203 D HN 0.152 nan 8.370 nan 0.000 0.472 1204 A N 0.242 123.053 122.820 -0.015 0.000 2.067 1204 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 1204 A C 2.294 179.864 177.584 -0.024 0.000 1.158 1204 A CA 0.692 52.717 52.037 -0.020 0.000 0.661 1204 A CB -0.358 18.626 19.000 -0.027 0.000 0.801 1204 A HN 0.200 nan 8.150 nan 0.000 0.452 1205 L N -1.725 119.484 121.223 -0.022 0.000 2.168 1205 L HA -0.005 4.335 4.340 -0.000 0.000 0.203 1205 L C 2.709 179.570 176.870 -0.014 0.000 1.078 1205 L CA 0.584 55.410 54.840 -0.023 0.000 0.780 1205 L CB -0.460 41.584 42.059 -0.024 0.000 0.939 1205 L HN 0.282 nan 8.230 nan 0.000 0.451 1206 R N 0.412 120.906 120.500 -0.010 0.000 2.105 1206 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 1206 R C 2.078 178.376 176.300 -0.002 0.000 1.135 1206 R CA 1.380 57.477 56.100 -0.006 0.000 0.967 1206 R CB -0.289 30.008 30.300 -0.005 0.000 0.861 1206 R HN 0.447 nan 8.270 nan 0.000 0.442 1207 E N 0.707 120.905 120.200 -0.003 0.000 2.085 1207 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 1207 E C 2.145 178.748 176.600 0.005 0.000 0.994 1207 E CA 1.250 57.651 56.400 0.002 0.000 0.801 1207 E CB 0.007 29.708 29.700 0.002 0.000 0.743 1207 E HN 0.451 nan 8.360 nan 0.000 0.453 1208 Q N 0.144 119.945 119.800 0.002 0.000 2.079 1208 Q HA -0.116 4.224 4.340 -0.000 0.000 0.200 1208 Q C 2.400 178.406 176.000 0.011 0.000 0.974 1208 Q CA 1.191 56.998 55.803 0.006 0.000 0.840 1208 Q CB 0.052 28.788 28.738 -0.005 0.000 0.898 1208 Q HN 0.151 nan 8.270 nan 0.000 0.430 1209 V N 1.071 120.990 119.914 0.008 0.000 2.343 1209 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 1209 V C 2.255 178.358 176.094 0.015 0.000 1.051 1209 V CA 1.795 64.103 62.300 0.014 0.000 1.036 1209 V CB -0.927 30.902 31.823 0.010 0.000 0.654 1209 V HN 0.375 nan 8.190 nan 0.000 0.451 1210 A N -0.136 122.690 122.820 0.010 0.000 2.015 1210 A HA -0.005 4.315 4.320 -0.000 0.000 0.219 1210 A C 2.318 179.907 177.584 0.008 0.000 1.163 1210 A CA 1.741 53.783 52.037 0.009 0.000 0.646 1210 A CB -0.516 18.487 19.000 0.005 0.000 0.806 1210 A HN 0.566 nan 8.150 nan 0.000 0.448 1211 A N -2.120 120.705 122.820 0.009 0.000 2.067 1211 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 1211 A C 1.789 179.376 177.584 0.005 0.000 1.156 1211 A CA 1.746 53.786 52.037 0.006 0.000 0.683 1211 A CB -0.360 18.647 19.000 0.011 0.000 0.808 1211 A HN 1.551 nan 8.150 nan 0.000 0.455 1212 G N -1.816 106.994 108.800 0.017 0.000 3.246 1212 G HA2 0.048 4.008 3.960 -0.000 0.000 0.218 1212 G HA3 0.048 4.008 3.960 -0.000 0.000 0.218 1212 G C 0.339 175.267 174.900 0.047 0.000 0.978 1212 G CA 0.074 45.189 45.100 0.026 0.000 0.825 1212 G HN 1.348 nan 8.290 nan 0.000 0.546 1213 V N 1.357 121.298 119.914 0.045 0.000 2.763 1213 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 1213 V C 1.665 177.802 176.094 0.071 0.000 1.059 1213 V CA 0.318 62.655 62.300 0.061 0.000 1.138 1213 V CB 1.018 32.870 31.823 0.049 0.000 0.940 1213 V HN 0.828 nan 8.190 nan 0.000 0.489 1214 I N 0.583 121.209 120.570 0.094 0.000 3.875 1214 I HA 0.751 4.921 4.170 -0.000 0.000 0.329 1214 I C 0.691 176.870 176.117 0.103 0.000 1.295 1214 I CA 0.395 61.756 61.300 0.102 0.000 1.129 1214 I CB -0.226 37.848 38.000 0.124 0.000 1.008 1214 I HN 0.901 nan 8.210 nan 0.000 0.413 1215 G N 0.802 109.654 108.800 0.087 0.000 2.506 1215 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 1215 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 1215 G C -1.636 173.288 174.900 0.039 0.000 1.425 1215 G CA -0.711 44.437 45.100 0.079 0.000 0.788 1215 G HN 0.084 nan 8.290 nan 0.000 0.490 1219 H N 5.650 124.810 119.070 0.150 0.000 2.600 1219 H HA 0.384 4.940 4.556 -0.000 0.000 0.357 1219 H C 0.635 175.981 175.328 0.030 0.000 1.106 1219 H CA -0.315 55.786 56.048 0.088 0.000 1.193 1219 H CB 2.333 32.176 29.762 0.134 0.000 1.594 1219 H HN 0.838 nan 8.280 nan 0.000 0.526 1220 E N 2.906 122.988 120.200 -0.196 0.000 2.209 1220 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 1220 E C 1.383 178.004 176.600 0.035 0.000 0.993 1220 E CA 1.186 57.555 56.400 -0.051 0.000 0.819 1220 E CB 0.032 29.679 29.700 -0.087 0.000 0.745 1220 E HN 0.514 nan 8.360 nan 0.000 0.477 1221 A N 0.647 123.554 122.820 0.144 0.000 2.070 1221 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 1221 A C 1.227 178.659 177.584 -0.252 0.000 1.159 1221 A CA 0.977 52.931 52.037 -0.137 0.000 0.656 1221 A CB -0.837 17.930 19.000 -0.387 0.000 0.800 1221 A HN 0.560 nan 8.150 nan 0.000 0.453 1222 W N -1.196 120.148 121.300 0.072 0.000 3.127 1222 W HA 0.440 5.100 4.660 -0.000 0.000 0.344 1222 W C 0.998 177.532 176.519 0.025 0.000 1.151 1222 W CA 0.361 57.726 57.345 0.034 0.000 1.765 1222 W CB 0.405 29.883 29.460 0.030 0.000 1.085 1222 W HN 0.526 nan 8.180 nan 0.000 0.596 1223 G N 1.354 110.268 108.800 0.191 0.000 2.858 1223 G HA2 0.067 4.027 3.960 -0.000 0.000 0.272 1223 G HA3 0.067 4.027 3.960 -0.000 0.000 0.272 1223 G C -0.160 174.798 174.900 0.097 0.000 1.003 1223 G CA -0.591 44.577 45.100 0.113 0.000 1.241 1223 G HN 0.421 nan 8.290 nan 0.000 0.569 1224 A N 2.169 125.027 122.820 0.064 0.000 3.118 1224 A HA 0.651 4.970 4.320 -0.000 0.000 0.256 1224 A C 1.299 178.904 177.584 0.035 0.000 1.667 1224 A CA 0.889 52.955 52.037 0.049 0.000 1.338 1224 A CB -0.557 18.460 19.000 0.029 0.000 1.127 1224 A HN 2.012 nan 8.150 nan 0.000 0.634 1225 T N -2.485 112.092 114.554 0.037 0.000 2.899 1225 T HA 0.432 4.782 4.350 -0.000 0.000 0.284 1225 T C -1.831 172.886 174.700 0.027 0.000 1.004 1225 T CA -1.693 60.424 62.100 0.029 0.000 1.043 1225 T CB 1.152 70.034 68.868 0.023 0.000 1.013 1225 T HN 0.085 nan 8.240 nan 0.000 0.518 1226 P HA -0.072 nan 4.420 nan 0.000 0.216 1226 P C 1.629 178.934 177.300 0.009 0.000 1.150 1226 P CA 1.457 64.567 63.100 0.016 0.000 0.843 1226 P CB -0.230 31.476 31.700 0.010 0.000 0.787 1227 A N -0.174 122.651 122.820 0.008 0.000 1.898 1227 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 1227 A C 2.306 179.894 177.584 0.006 0.000 1.181 1227 A CA 2.049 54.089 52.037 0.005 0.000 0.620 1227 A CB -1.557 17.446 19.000 0.006 0.000 0.819 1227 A HN 0.196 nan 8.150 nan 0.000 0.442 1228 A N -0.036 122.792 122.820 0.012 0.000 1.873 1228 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 1228 A C 2.124 179.711 177.584 0.005 0.000 1.186 1228 A CA 1.426 53.471 52.037 0.012 0.000 0.616 1228 A CB -0.613 18.404 19.000 0.028 0.000 0.823 1228 A HN 0.482 nan 8.150 nan 0.000 0.442 1229 I N -0.104 120.471 120.570 0.007 0.000 2.163 1229 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 1229 I C 2.365 178.476 176.117 -0.012 0.000 1.085 1229 I CA 2.038 63.337 61.300 -0.003 0.000 1.347 1229 I CB -0.475 37.526 38.000 0.002 0.000 1.044 1229 I HN 0.438 nan 8.210 nan 0.000 0.408 1230 D N 0.266 120.661 120.400 -0.008 0.000 2.104 1230 D HA -0.249 4.391 4.640 -0.000 0.000 0.194 1230 D C 2.313 178.605 176.300 -0.013 0.000 0.994 1230 D CA 1.492 55.485 54.000 -0.012 0.000 0.830 1230 D CB -0.222 40.573 40.800 -0.008 0.000 0.959 1230 D HN 0.406 nan 8.370 nan 0.000 0.452 1231 C N 0.052 119.345 119.300 -0.010 0.000 2.413 1231 C HA 0.028 4.488 4.460 -0.000 0.000 0.276 1231 C C 2.909 177.889 174.990 -0.016 0.000 1.236 1231 C CA 1.606 60.617 59.018 -0.012 0.000 1.735 1231 C CB -1.522 26.212 27.740 -0.010 0.000 2.031 1231 C HN 0.454 nan 8.230 nan 0.000 0.474 1232 A N 0.047 122.855 122.820 -0.019 0.000 1.902 1232 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 1232 A C 2.175 179.742 177.584 -0.028 0.000 1.181 1232 A CA 1.776 53.798 52.037 -0.025 0.000 0.623 1232 A CB -0.682 18.301 19.000 -0.029 0.000 0.818 1232 A HN 0.676 nan 8.150 nan 0.000 0.443 1233 L N -0.822 120.384 121.223 -0.029 0.000 2.141 1233 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 1233 L C 2.728 179.582 176.870 -0.026 0.000 1.094 1233 L CA 1.567 56.388 54.840 -0.032 0.000 0.763 1233 L CB -0.727 41.312 42.059 -0.033 0.000 0.908 1233 L HN 0.342 nan 8.230 nan 0.000 0.437 1234 T N -0.650 113.891 114.554 -0.021 0.000 2.746 1234 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 1234 T C 1.979 176.668 174.700 -0.017 0.000 1.039 1234 T CA 1.309 63.399 62.100 -0.018 0.000 1.142 1234 T CB -0.152 68.707 68.868 -0.015 0.000 0.866 1234 T HN 0.062 nan 8.240 nan 0.000 0.444 1235 V N 1.627 121.531 119.914 -0.017 0.000 2.427 1235 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 1235 V C 2.864 178.948 176.094 -0.016 0.000 1.051 1235 V CA 1.457 63.748 62.300 -0.015 0.000 1.048 1235 V CB -1.179 30.635 31.823 -0.015 0.000 0.666 1235 V HN 0.510 nan 8.190 nan 0.000 0.456 1236 A N -0.015 122.792 122.820 -0.021 0.000 1.902 1236 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 1236 A C 2.017 179.586 177.584 -0.024 0.000 1.181 1236 A CA 2.067 54.090 52.037 -0.024 0.000 0.623 1236 A CB -0.623 18.356 19.000 -0.034 0.000 0.818 1236 A HN 0.513 nan 8.150 nan 0.000 0.443 1237 D N -0.441 119.944 120.400 -0.025 0.000 2.144 1237 D HA -0.113 4.527 4.640 -0.000 0.000 0.199 1237 D C 1.947 178.235 176.300 -0.019 0.000 0.984 1237 D CA 1.297 55.283 54.000 -0.023 0.000 0.834 1237 D CB -0.277 40.510 40.800 -0.022 0.000 0.955 1237 D HN 0.657 nan 8.370 nan 0.000 0.465 1238 E N -0.319 119.872 120.200 -0.016 0.000 2.046 1238 E HA -0.018 4.332 4.350 -0.000 0.000 0.190 1238 E C 1.713 178.306 176.600 -0.010 0.000 0.982 1238 E CA 0.718 57.110 56.400 -0.012 0.000 0.800 1238 E CB 0.043 29.737 29.700 -0.011 0.000 0.756 1238 E HN 0.276 nan 8.360 nan 0.000 0.449 1239 M N 0.341 119.935 119.600 -0.009 0.000 2.383 1239 M HA 0.076 4.556 4.480 -0.000 0.000 0.247 1239 M C -0.226 176.072 176.300 -0.004 0.000 1.117 1239 M CA -0.048 55.249 55.300 -0.005 0.000 0.995 1239 M CB 0.556 33.156 32.600 -0.001 0.000 1.480 1239 M HN -0.151 nan 8.290 nan 0.000 0.485 1240 D N 2.846 123.240 120.400 -0.011 0.000 2.746 1240 D HA -0.153 4.487 4.640 -0.000 0.000 0.241 1240 D C -1.080 175.216 176.300 -0.006 0.000 1.140 1240 D CA 0.635 54.626 54.000 -0.014 0.000 0.707 1240 D CB -0.795 39.996 40.800 -0.015 0.000 1.034 1240 D HN 0.539 nan 8.370 nan 0.000 0.423 1241 I N -2.469 118.096 120.570 -0.009 0.000 3.002 1241 I HA 0.702 4.872 4.170 -0.000 0.000 0.310 1241 I C -0.021 176.082 176.117 -0.022 0.000 1.087 1241 I CA -1.194 60.108 61.300 0.003 0.000 1.017 1241 I CB 1.567 39.578 38.000 0.018 0.000 1.226 1241 I HN -0.129 nan 8.210 nan 0.000 0.443 1242 Q N 1.711 121.499 119.800 -0.020 0.000 2.227 1242 Q HA 0.725 5.065 4.340 -0.000 0.000 0.245 1242 Q C -1.425 174.537 176.000 -0.063 0.000 0.926 1242 Q CA -0.589 55.161 55.803 -0.088 0.000 0.895 1242 Q CB 1.898 30.487 28.738 -0.248 0.000 1.230 1242 Q HN 0.646 nan 8.270 nan 0.000 0.450 1243 V N 2.115 121.966 119.914 -0.105 0.000 2.495 1243 V HA 0.846 4.965 4.120 -0.000 0.000 0.298 1243 V C -0.673 175.294 176.094 -0.211 0.000 1.031 1243 V CA -0.697 61.531 62.300 -0.120 0.000 0.871 1243 V CB 1.388 33.150 31.823 -0.101 0.000 0.988 1243 V HN 0.863 nan 8.190 nan 0.000 0.432 1244 A N 4.927 127.548 122.820 -0.332 0.000 2.317 1244 A HA 0.910 5.229 4.320 -0.000 0.000 0.327 1244 A C -1.138 176.078 177.584 -0.613 0.000 1.178 1244 A CA -0.493 51.084 52.037 -0.768 0.000 0.817 1244 A CB 1.288 19.538 19.000 -1.250 0.000 1.189 1244 A HN 0.819 nan 8.150 nan 0.000 0.489 1245 L N 1.720 122.575 121.223 -0.614 0.000 2.365 1245 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 1245 L C -0.646 176.132 176.870 -0.155 0.000 1.000 1245 L CA -0.193 54.479 54.840 -0.279 0.000 0.819 1245 L CB 1.816 43.780 42.059 -0.158 0.000 1.284 1245 L HN 0.814 nan 8.230 nan 0.000 0.418 1246 H N 3.032 122.034 119.070 -0.112 0.000 2.953 1246 H HA 0.553 5.109 4.556 -0.000 0.000 0.290 1246 H C -0.442 174.841 175.328 -0.076 0.000 1.113 1246 H CA -0.318 55.724 56.048 -0.009 0.000 1.454 1246 H CB 0.879 30.590 29.762 -0.086 0.000 1.525 1246 H HN 0.830 nan 8.280 nan 0.000 0.505 1247 S N 2.528 118.299 115.700 0.119 0.000 2.606 1247 S HA -0.052 4.418 4.470 -0.000 0.000 0.257 1247 S C 0.461 175.014 174.600 -0.077 0.000 1.327 1247 S CA -0.813 57.398 58.200 0.018 0.000 0.984 1247 S CB 0.881 64.095 63.200 0.023 0.000 0.941 1247 S HN 0.741 nan 8.310 nan 0.000 0.576 1248 D N 0.609 120.814 120.400 -0.325 0.000 2.385 1248 D HA 0.142 4.782 4.640 -0.000 0.000 0.260 1248 D C 0.988 177.011 176.300 -0.460 0.000 1.326 1248 D CA 0.133 53.922 54.000 -0.351 0.000 1.023 1248 D CB -0.188 40.443 40.800 -0.282 0.000 1.083 1248 D HN 0.558 nan 8.370 nan 0.000 0.517 1249 T N 3.565 118.038 114.554 -0.134 0.000 2.788 1249 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 1249 T C 1.956 176.700 174.700 0.074 0.000 1.044 1249 T CA 0.698 62.800 62.100 0.002 0.000 1.139 1249 T CB 0.038 68.999 68.868 0.155 0.000 0.867 1249 T HN 0.438 nan 8.240 nan 0.000 0.454 1250 L N 0.853 122.097 121.223 0.035 0.000 2.465 1250 L HA 0.047 4.387 4.340 -0.000 0.000 0.224 1250 L C 0.681 177.582 176.870 0.052 0.000 1.145 1250 L CA 0.198 55.052 54.840 0.024 0.000 0.834 1250 L CB -0.759 41.264 42.059 -0.061 0.000 0.944 1250 L HN 0.258 nan 8.230 nan 0.000 0.451 1251 N N 0.140 118.885 118.700 0.076 0.000 2.714 1251 N HA -0.265 4.475 4.740 -0.000 0.000 0.250 1251 N C 1.147 176.624 175.510 -0.055 0.000 1.117 1251 N CA 1.285 54.407 53.050 0.119 0.000 0.719 1251 N CB -1.035 37.593 38.487 0.235 0.000 1.081 1251 N HN 0.581 nan 8.380 nan 0.000 0.557 1252 E N 0.567 120.744 120.200 -0.039 0.000 2.051 1252 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 1252 E C 1.537 178.092 176.600 -0.075 0.000 0.991 1252 E CA 1.859 58.222 56.400 -0.061 0.000 0.799 1252 E CB 0.073 29.744 29.700 -0.048 0.000 0.748 1252 E HN 0.533 nan 8.360 nan 0.000 0.449 1253 S N -1.112 114.560 115.700 -0.046 0.000 2.524 1253 S HA 0.353 4.823 4.470 -0.000 0.000 0.216 1253 S C 0.594 175.151 174.600 -0.071 0.000 0.987 1253 S CA 0.131 58.306 58.200 -0.042 0.000 0.909 1253 S CB 1.107 64.304 63.200 -0.004 0.000 0.781 1253 S HN 0.445 nan 8.310 nan 0.000 0.521 1254 G N -0.152 108.581 108.800 -0.113 0.000 2.337 1254 G HA2 0.377 4.337 3.960 -0.000 0.000 0.298 1254 G HA3 0.377 4.337 3.960 -0.000 0.000 0.298 1254 G C -1.101 173.676 174.900 -0.206 0.000 1.335 1254 G CA -1.150 43.814 45.100 -0.227 0.000 0.875 1254 G HN 0.172 nan 8.290 nan 0.000 0.579 1255 F N -1.004 118.913 119.950 -0.054 0.000 2.321 1255 F HA 0.511 5.038 4.527 -0.000 0.000 0.318 1255 F C 1.907 177.279 175.800 -0.714 0.000 1.129 1255 F CA 0.050 57.908 58.000 -0.237 0.000 1.074 1255 F CB 1.299 40.230 39.000 -0.115 0.000 1.432 1255 F HN 0.325 nan 8.300 nan 0.000 0.502 1256 V N 1.495 121.058 119.914 -0.585 0.000 2.324 1256 V HA -0.261 3.859 4.120 -0.000 0.000 0.250 1256 V C 2.263 178.215 176.094 -0.237 0.000 1.060 1256 V CA 2.528 64.484 62.300 -0.573 0.000 1.042 1256 V CB -0.603 31.107 31.823 -0.189 0.000 0.650 1256 V HN 0.844 nan 8.190 nan 0.000 0.450 1257 E N -0.874 119.266 120.200 -0.100 0.000 2.153 1257 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 1257 E C 1.738 178.312 176.600 -0.043 0.000 0.988 1257 E CA 1.821 58.195 56.400 -0.043 0.000 0.811 1257 E CB -0.763 28.944 29.700 0.011 0.000 0.746 1257 E HN 0.695 nan 8.360 nan 0.000 0.466 1258 D N 0.883 121.258 120.400 -0.042 0.000 2.117 1258 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 1258 D C 1.814 178.099 176.300 -0.024 0.000 0.982 1258 D CA 1.721 55.705 54.000 -0.026 0.000 0.828 1258 D CB -0.109 40.676 40.800 -0.025 0.000 0.967 1258 D HN 0.215 nan 8.370 nan 0.000 0.464 1259 T N 1.613 116.148 114.554 -0.031 0.000 2.708 1259 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 1259 T C 2.270 176.952 174.700 -0.031 0.000 1.037 1259 T CA 0.482 62.598 62.100 0.026 0.000 1.146 1259 T CB -0.248 68.705 68.868 0.142 0.000 0.865 1259 T HN 0.090 nan 8.240 nan 0.000 0.435 1260 L N 0.670 121.844 121.223 -0.082 0.000 2.079 1260 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 1260 L C 2.960 179.772 176.870 -0.096 0.000 1.081 1260 L CA 1.182 55.936 54.840 -0.142 0.000 0.752 1260 L CB -0.594 41.322 42.059 -0.238 0.000 0.896 1260 L HN 0.251 nan 8.230 nan 0.000 0.433 1261 A N -0.114 122.672 122.820 -0.057 0.000 1.898 1261 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 1261 A C 2.532 180.101 177.584 -0.026 0.000 1.181 1261 A CA 1.629 53.647 52.037 -0.032 0.000 0.620 1261 A CB -0.669 18.322 19.000 -0.016 0.000 0.819 1261 A HN 0.397 nan 8.150 nan 0.000 0.442 1262 A N 0.021 122.828 122.820 -0.022 0.000 1.902 1262 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 1262 A C 2.079 179.649 177.584 -0.023 0.000 1.181 1262 A CA 1.509 53.537 52.037 -0.015 0.000 0.623 1262 A CB -0.642 18.356 19.000 -0.004 0.000 0.818 1262 A HN 0.505 nan 8.150 nan 0.000 0.443 1263 I N -0.399 120.150 120.570 -0.035 0.000 2.361 1263 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 1263 I C 1.758 177.851 176.117 -0.039 0.000 1.133 1263 I CA 0.923 62.197 61.300 -0.044 0.000 1.413 1263 I CB -0.710 37.250 38.000 -0.066 0.000 1.073 1263 I HN 0.488 nan 8.210 nan 0.000 0.424 1264 G N 1.137 109.916 108.800 -0.036 0.000 2.356 1264 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.296 1264 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.296 1264 G C 0.992 175.880 174.900 -0.020 0.000 1.022 1264 G CA 0.437 45.522 45.100 -0.024 0.000 0.961 1264 G HN 0.932 nan 8.290 nan 0.000 0.510 1265 G N -1.667 107.118 108.800 -0.024 0.000 2.175 1265 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 1265 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 1265 G C 0.584 175.473 174.900 -0.019 0.000 0.979 1265 G CA 1.124 46.218 45.100 -0.011 0.000 0.663 1265 G HN 1.028 nan 8.290 nan 0.000 0.533 1266 R N 0.406 120.889 120.500 -0.029 0.000 2.490 1266 R HA 0.467 4.807 4.340 -0.000 0.000 0.278 1266 R C 0.464 176.738 176.300 -0.043 0.000 1.069 1266 R CA -0.067 56.013 56.100 -0.034 0.000 1.080 1266 R CB 0.473 30.752 30.300 -0.034 0.000 1.030 1266 R HN 0.151 nan 8.270 nan 0.000 0.491 1267 T N 3.092 117.617 114.554 -0.047 0.000 2.902 1267 T HA 0.188 4.538 4.350 -0.000 0.000 0.301 1267 T C 0.147 174.804 174.700 -0.072 0.000 1.012 1267 T CA 0.468 62.532 62.100 -0.060 0.000 1.151 1267 T CB 0.013 68.841 68.868 -0.067 0.000 0.946 1267 T HN 0.382 nan 8.240 nan 0.000 0.542 1268 I N 1.782 122.307 120.570 -0.076 0.000 2.787 1268 I HA 0.249 4.419 4.170 -0.000 0.000 0.294 1268 I C -0.851 175.233 176.117 -0.056 0.000 1.365 1268 I CA -0.887 60.364 61.300 -0.083 0.000 1.029 1268 I CB 2.203 40.152 38.000 -0.084 0.000 1.313 1268 I HN 0.734 nan 8.210 nan 0.000 0.431 1269 H N 5.461 124.399 119.070 -0.221 0.000 2.597 1269 H HA 0.396 4.952 4.556 -0.000 0.000 0.303 1269 H C -0.802 174.372 175.328 -0.256 0.000 1.057 1269 H CA -0.597 55.320 56.048 -0.220 0.000 1.261 1269 H CB 0.927 30.540 29.762 -0.249 0.000 1.397 1269 H HN 0.599 nan 8.280 nan 0.000 0.461 1270 T N 3.489 118.070 114.554 0.045 0.000 2.729 1270 T HA 0.177 4.527 4.350 -0.000 0.000 0.296 1270 T C -0.031 174.645 174.700 -0.041 0.000 0.928 1270 T CA -0.767 61.278 62.100 -0.093 0.000 1.045 1270 T CB 0.166 68.995 68.868 -0.065 0.000 0.902 1270 T HN 0.195 nan 8.240 nan 0.000 0.500 1271 F N 3.838 123.541 119.950 -0.412 0.000 2.410 1271 F HA 0.241 4.768 4.527 -0.000 0.000 0.334 1271 F C 1.497 176.925 175.800 -0.619 0.000 1.134 1271 F CA -0.962 56.690 58.000 -0.581 0.000 1.227 1271 F CB -0.146 38.346 39.000 -0.846 0.000 1.194 1271 F HN 0.945 nan 8.300 nan 0.000 0.571 1272 H N -0.781 118.444 119.070 0.259 0.000 2.166 1272 H HA -0.204 4.352 4.556 -0.000 0.000 0.323 1272 H C 0.744 176.141 175.328 0.115 0.000 0.936 1272 H CA 0.434 56.581 56.048 0.165 0.000 1.073 1272 H CB -2.461 27.365 29.762 0.107 0.000 1.592 1272 H HN 0.522 nan 8.280 nan 0.000 0.346 1273 T N -0.844 113.819 114.554 0.182 0.000 2.897 1273 T HA -0.229 4.121 4.350 -0.000 0.000 0.271 1273 T C 1.761 176.618 174.700 0.262 0.000 1.084 1273 T CA 1.247 63.398 62.100 0.086 0.000 1.123 1273 T CB 0.042 68.710 68.868 -0.333 0.000 0.865 1273 T HN 0.695 nan 8.240 nan 0.000 0.496 1274 E N 0.876 121.313 120.200 0.395 0.000 2.106 1274 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 1274 E C 1.935 178.600 176.600 0.109 0.000 0.984 1274 E CA 1.338 57.899 56.400 0.268 0.000 0.806 1274 E CB -0.301 29.505 29.700 0.176 0.000 0.750 1274 E HN 0.595 nan 8.360 nan 0.000 0.458 1275 G N -0.153 108.696 108.800 0.082 0.000 2.436 1275 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.204 1275 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.204 1275 G C 1.429 176.253 174.900 -0.126 0.000 1.026 1275 G CA 0.619 45.704 45.100 -0.025 0.000 0.658 1275 G HN 0.566 nan 8.290 nan 0.000 0.499 1276 A N 0.868 123.623 122.820 -0.108 0.000 1.948 1276 A HA 0.266 4.586 4.320 -0.000 0.000 0.220 1276 A C 2.618 180.098 177.584 -0.173 0.000 1.177 1276 A CA 2.598 54.562 52.037 -0.122 0.000 0.636 1276 A CB -0.959 17.986 19.000 -0.091 0.000 0.815 1276 A HN 1.715 nan 8.150 nan 0.000 0.449 1277 G N -1.652 106.979 108.800 -0.282 0.000 2.920 1277 G HA2 0.447 4.407 3.960 -0.000 0.000 0.208 1277 G HA3 0.447 4.407 3.960 -0.000 0.000 0.208 1277 G C 0.669 174.974 174.900 -0.991 0.000 1.159 1277 G CA 0.740 45.526 45.100 -0.523 0.000 0.784 1277 G HN 1.658 nan 8.290 nan 0.000 0.535 1278 G N -2.131 106.196 108.800 -0.788 0.000 2.435 1278 G HA2 0.570 4.530 3.960 -0.000 0.000 0.603 1278 G HA3 0.570 4.530 3.960 -0.000 0.000 0.603 1278 G C -0.254 174.336 174.900 -0.516 0.000 1.496 1278 G CA -0.120 44.524 45.100 -0.761 0.000 0.896 1278 G HN 1.827 nan 8.290 nan 0.000 0.657 1279 G N 0.555 109.217 108.800 -0.231 0.000 2.317 1279 G HA2 0.477 4.437 3.960 -0.000 0.000 0.445 1279 G HA3 0.477 4.437 3.960 -0.000 0.000 0.445 1279 G C -0.491 174.398 174.900 -0.018 0.000 1.486 1279 G CA -0.401 44.648 45.100 -0.085 0.000 0.991 1279 G HN 1.431 nan 8.290 nan 0.000 0.660 1280 H N 0.198 119.299 119.070 0.051 0.000 3.232 1280 H HA 0.238 4.794 4.556 -0.000 0.000 0.276 1280 H C 1.163 176.520 175.328 0.048 0.000 0.882 1280 H CA 1.475 57.569 56.048 0.077 0.000 1.415 1280 H CB 0.417 30.236 29.762 0.094 0.000 1.405 1280 H HN 0.954 nan 8.280 nan 0.000 0.543 1281 A N 7.161 130.077 122.820 0.160 0.000 2.362 1281 A HA 0.257 4.577 4.320 -0.000 0.000 0.276 1281 A C -1.530 176.094 177.584 0.067 0.000 1.153 1281 A CA -1.147 50.922 52.037 0.054 0.000 0.813 1281 A CB 0.541 19.572 19.000 0.051 0.000 1.081 1281 A HN 0.542 nan 8.150 nan 0.000 0.507 1282 P HA 0.175 nan 4.420 nan 0.000 0.303 1282 P C -0.680 176.578 177.300 -0.071 0.000 1.524 1282 P CA 0.106 63.100 63.100 -0.176 0.000 1.267 1282 P CB 0.559 31.942 31.700 -0.529 0.000 1.596 1283 D N -0.790 119.619 120.400 0.014 0.000 2.559 1283 D HA 0.037 4.677 4.640 -0.000 0.000 0.234 1283 D C 1.258 177.598 176.300 0.067 0.000 1.226 1283 D CA -0.642 53.379 54.000 0.035 0.000 0.830 1283 D CB -0.477 40.336 40.800 0.023 0.000 1.028 1283 D HN -0.024 nan 8.370 nan 0.000 0.492 1284 I N 0.496 121.121 120.570 0.092 0.000 2.567 1284 I HA -0.068 4.102 4.170 -0.000 0.000 0.257 1284 I C 1.661 177.836 176.117 0.097 0.000 1.184 1284 I CA 0.754 62.121 61.300 0.111 0.000 1.451 1284 I CB -0.150 37.922 38.000 0.121 0.000 1.089 1284 I HN 0.198 nan 8.210 nan 0.000 0.441 1285 I N 0.412 121.048 120.570 0.110 0.000 2.530 1285 I HA -0.306 3.864 4.170 -0.000 0.000 0.257 1285 I C 2.068 178.274 176.117 0.148 0.000 1.179 1285 I CA 1.760 63.160 61.300 0.167 0.000 1.440 1285 I CB -0.324 37.779 38.000 0.172 0.000 1.087 1285 I HN 0.487 nan 8.210 nan 0.000 0.440 1286 T N -1.441 113.179 114.554 0.110 0.000 3.051 1286 T HA 0.020 4.370 4.350 -0.000 0.000 0.269 1286 T C 1.823 176.621 174.700 0.163 0.000 1.127 1286 T CA 0.708 62.878 62.100 0.116 0.000 1.107 1286 T CB -0.424 68.503 68.868 0.099 0.000 0.898 1286 T HN 0.393 nan 8.240 nan 0.000 0.517 1287 A N 1.380 124.277 122.820 0.128 0.000 2.019 1287 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 1287 A C 2.644 180.319 177.584 0.152 0.000 1.164 1287 A CA 1.362 53.479 52.037 0.134 0.000 0.644 1287 A CB -1.545 17.461 19.000 0.010 0.000 0.805 1287 A HN 0.998 nan 8.150 nan 0.000 0.449 1288 C N -1.816 117.519 119.300 0.059 0.000 2.485 1288 C HA 0.413 4.873 4.460 -0.000 0.000 0.283 1288 C C 2.371 177.381 174.990 0.034 0.000 1.478 1288 C CA 0.030 59.052 59.018 0.007 0.000 1.741 1288 C CB -1.773 25.978 27.740 0.017 0.000 1.675 1288 C HN 0.636 nan 8.230 nan 0.000 0.573 1289 A N -0.523 122.318 122.820 0.036 0.000 2.132 1289 A HA 0.147 4.467 4.320 -0.000 0.000 0.213 1289 A C 0.955 178.405 177.584 -0.224 0.000 1.154 1289 A CA 0.196 52.167 52.037 -0.110 0.000 0.753 1289 A CB -0.578 18.305 19.000 -0.195 0.000 0.826 1289 A HN 0.844 nan 8.150 nan 0.000 0.469 1290 H N 0.108 119.167 119.070 -0.019 0.000 2.525 1290 H HA 0.153 4.709 4.556 -0.000 0.000 0.339 1290 H C -1.617 173.693 175.328 -0.030 0.000 1.109 1290 H CA -1.444 54.591 56.048 -0.022 0.000 1.352 1290 H CB 1.048 30.796 29.762 -0.024 0.000 1.461 1290 H HN 0.178 nan 8.280 nan 0.000 0.533 1291 P HA -0.143 nan 4.420 nan 0.000 0.221 1291 P C 0.789 178.096 177.300 0.013 0.000 1.150 1291 P CA 1.094 64.206 63.100 0.020 0.000 0.800 1291 P CB 0.359 32.065 31.700 0.009 0.000 0.787 1292 N N -0.445 118.272 118.700 0.029 0.000 2.336 1292 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 1292 N C 0.311 175.807 175.510 -0.023 0.000 1.113 1292 N CA 0.134 53.181 53.050 -0.005 0.000 0.858 1292 N CB -0.012 38.471 38.487 -0.007 0.000 0.970 1292 N HN 0.105 nan 8.380 nan 0.000 0.471 1293 I N 2.022 122.588 120.570 -0.007 0.000 2.331 1293 I HA 0.256 4.426 4.170 -0.000 0.000 0.292 1293 I C -0.327 175.753 176.117 -0.062 0.000 0.998 1293 I CA -0.783 60.497 61.300 -0.033 0.000 1.267 1293 I CB 1.529 39.522 38.000 -0.013 0.000 1.386 1293 I HN -0.076 nan 8.210 nan 0.000 0.476 1294 L N 8.684 129.857 121.223 -0.084 0.000 2.297 1294 L HA 0.412 4.752 4.340 -0.000 0.000 0.277 1294 L C -2.219 174.587 176.870 -0.106 0.000 1.040 1294 L CA -1.861 52.898 54.840 -0.134 0.000 0.867 1294 L CB 0.657 42.584 42.059 -0.219 0.000 1.244 1294 L HN 0.268 nan 8.230 nan 0.000 0.433 1295 P HA 0.327 nan 4.420 nan 0.000 0.292 1295 P C -0.575 176.601 177.300 -0.207 0.000 1.287 1295 P CA -0.214 62.733 63.100 -0.255 0.000 0.800 1295 P CB 1.902 33.263 31.700 -0.565 0.000 0.945 1296 S N 1.664 117.355 115.700 -0.014 0.000 2.634 1296 S HA 0.734 5.204 4.470 -0.000 0.000 0.296 1296 S C -0.435 174.298 174.600 0.221 0.000 1.104 1296 S CA -0.687 57.617 58.200 0.175 0.000 0.920 1296 S CB 1.265 64.722 63.200 0.429 0.000 1.111 1296 S HN 0.313 nan 8.310 nan 0.000 0.493 1297 S N 1.167 117.091 115.700 0.374 0.000 2.568 1297 S HA 0.790 5.260 4.470 -0.000 0.000 0.302 1297 S C -0.060 174.685 174.600 0.243 0.000 1.082 1297 S CA -0.764 57.681 58.200 0.409 0.000 1.009 1297 S CB 1.672 65.237 63.200 0.608 0.000 1.069 1297 S HN 0.997 nan 8.310 nan 0.000 0.500 1298 T N -0.006 114.662 114.554 0.190 0.000 2.902 1298 T HA 0.309 4.659 4.350 -0.000 0.000 0.280 1298 T C 0.929 175.662 174.700 0.054 0.000 0.992 1298 T CA -0.781 61.353 62.100 0.056 0.000 1.015 1298 T CB 0.470 69.344 68.868 0.010 0.000 1.044 1298 T HN 0.587 nan 8.240 nan 0.000 0.520 1299 N N -0.401 118.295 118.700 -0.008 0.000 2.422 1299 N HA 0.101 4.841 4.740 -0.000 0.000 0.181 1299 N C -1.614 173.908 175.510 0.020 0.000 1.080 1299 N CA -0.525 52.523 53.050 -0.004 0.000 0.893 1299 N CB -1.313 37.147 38.487 -0.045 0.000 0.973 1299 N HN 0.380 nan 8.380 nan 0.000 0.456 1300 P HA -0.020 nan 4.420 nan 0.000 0.223 1300 P C 0.722 178.140 177.300 0.196 0.000 1.151 1300 P CA 1.447 64.613 63.100 0.110 0.000 0.787 1300 P CB -0.163 31.594 31.700 0.095 0.000 0.788 1301 T N -4.159 110.470 114.554 0.124 0.000 3.107 1301 T HA 0.210 4.560 4.350 -0.000 0.000 0.249 1301 T C 0.442 175.174 174.700 0.054 0.000 1.096 1301 T CA 0.045 62.168 62.100 0.038 0.000 1.012 1301 T CB -0.515 68.334 68.868 -0.031 0.000 0.977 1301 T HN -0.036 nan 8.240 nan 0.000 0.527 1302 L N 3.194 124.451 121.223 0.057 0.000 2.294 1302 L HA 0.526 4.866 4.340 -0.000 0.000 0.283 1302 L C -2.482 174.411 176.870 0.039 0.000 1.015 1302 L CA -2.272 52.592 54.840 0.040 0.000 0.831 1302 L CB 1.861 43.917 42.059 -0.004 0.000 1.217 1302 L HN -0.014 nan 8.230 nan 0.000 0.420 1303 P HA 0.136 nan 4.420 nan 0.000 0.304 1303 P C -1.352 176.034 177.300 0.143 0.000 1.310 1303 P CA -0.720 62.436 63.100 0.093 0.000 0.796 1303 P CB 1.106 32.861 31.700 0.091 0.000 1.297 1304 Y N 1.460 121.762 120.300 0.003 0.000 2.496 1304 Y HA 0.327 4.877 4.550 -0.000 0.000 0.334 1304 Y C 0.271 176.175 175.900 0.006 0.000 1.080 1304 Y CA 0.224 58.318 58.100 -0.009 0.000 1.355 1304 Y CB -0.662 37.789 38.460 -0.015 0.000 1.193 1304 Y HN 0.397 nan 8.280 nan 0.000 0.523 1305 T N 2.641 117.151 114.554 -0.074 0.000 2.831 1305 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 1305 T C 1.027 175.594 174.700 -0.222 0.000 1.070 1305 T CA -0.858 61.136 62.100 -0.178 0.000 1.010 1305 T CB 0.830 69.674 68.868 -0.040 0.000 1.264 1305 T HN 0.573 nan 8.240 nan 0.000 0.532 1306 L N 0.547 121.674 121.223 -0.160 0.000 2.042 1306 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 1306 L C 2.202 179.051 176.870 -0.034 0.000 1.076 1306 L CA 1.362 56.136 54.840 -0.109 0.000 0.749 1306 L CB -0.512 41.506 42.059 -0.069 0.000 0.893 1306 L HN 0.672 nan 8.230 nan 0.000 0.432 1307 N N -1.299 117.398 118.700 -0.005 0.000 2.336 1307 N HA -0.024 4.716 4.740 -0.000 0.000 0.189 1307 N C 1.593 177.147 175.510 0.074 0.000 1.113 1307 N CA 0.563 53.631 53.050 0.030 0.000 0.858 1307 N CB 0.222 38.724 38.487 0.024 0.000 0.970 1307 N HN 0.269 nan 8.380 nan 0.000 0.471 1308 T N 2.354 116.965 114.554 0.095 0.000 2.597 1308 T HA -0.110 4.239 4.350 -0.000 0.000 0.267 1308 T C 1.992 176.791 174.700 0.165 0.000 1.053 1308 T CA 0.865 63.058 62.100 0.155 0.000 1.165 1308 T CB 0.002 68.965 68.868 0.159 0.000 0.863 1308 T HN 0.111 nan 8.240 nan 0.000 0.427 1309 I N 1.806 122.443 120.570 0.112 0.000 2.179 1309 I HA -0.145 4.025 4.170 -0.000 0.000 0.242 1309 I C 2.275 178.451 176.117 0.099 0.000 1.088 1309 I CA 1.457 62.804 61.300 0.079 0.000 1.357 1309 I CB -1.293 36.753 38.000 0.077 0.000 1.051 1309 I HN 0.224 nan 8.210 nan 0.000 0.409 1310 D N 0.973 121.422 120.400 0.082 0.000 2.092 1310 D HA -0.234 4.406 4.640 -0.000 0.000 0.193 1310 D C 2.048 178.382 176.300 0.056 0.000 0.994 1310 D CA 1.777 55.812 54.000 0.057 0.000 0.828 1310 D CB -0.210 40.614 40.800 0.039 0.000 0.963 1310 D HN 0.624 nan 8.370 nan 0.000 0.450 1311 E N -0.164 120.080 120.200 0.073 0.000 2.150 1311 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 1311 E C 1.742 178.335 176.600 -0.012 0.000 0.985 1311 E CA 1.128 57.541 56.400 0.023 0.000 0.814 1311 E CB -0.437 29.268 29.700 0.007 0.000 0.752 1311 E HN 0.348 nan 8.360 nan 0.000 0.466 1312 H N 0.555 119.607 119.070 -0.029 0.000 2.457 1312 H HA 0.042 4.598 4.556 -0.000 0.000 0.294 1312 H C 1.879 177.171 175.328 -0.061 0.000 1.064 1312 H CA 1.535 57.555 56.048 -0.048 0.000 1.330 1312 H CB -0.019 29.715 29.762 -0.046 0.000 1.395 1312 H HN 0.142 nan 8.280 nan 0.000 0.541 1313 L N -0.127 121.127 121.223 0.052 0.000 1.989 1313 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 1313 L C 1.842 178.693 176.870 -0.032 0.000 1.071 1313 L CA 1.501 56.341 54.840 0.000 0.000 0.749 1313 L CB -0.309 41.755 42.059 0.007 0.000 0.890 1313 L HN 0.307 nan 8.230 nan 0.000 0.431 1314 D N -0.377 120.002 120.400 -0.036 0.000 2.234 1314 D HA -0.139 4.501 4.640 -0.000 0.000 0.205 1314 D C 2.197 178.451 176.300 -0.077 0.000 0.962 1314 D CA 0.957 54.928 54.000 -0.049 0.000 0.855 1314 D CB 0.121 40.897 40.800 -0.041 0.000 0.951 1314 D HN 0.329 nan 8.370 nan 0.000 0.500 1315 M N 0.413 119.947 119.600 -0.110 0.000 2.374 1315 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 1315 M C 1.780 178.002 176.300 -0.130 0.000 1.067 1315 M CA 0.814 56.023 55.300 -0.151 0.000 1.103 1315 M CB 0.259 32.709 32.600 -0.249 0.000 1.402 1315 M HN -0.031 nan 8.290 nan 0.000 0.444 1316 L N 0.478 121.636 121.223 -0.108 0.000 2.130 1316 L HA 0.096 4.436 4.340 -0.000 0.000 0.200 1316 L C 1.195 178.017 176.870 -0.080 0.000 1.075 1316 L CA 0.826 55.602 54.840 -0.106 0.000 0.768 1316 L CB -0.342 41.640 42.059 -0.128 0.000 0.933 1316 L HN 0.194 nan 8.230 nan 0.000 0.451 1332 F N 0.633 120.598 119.950 0.025 0.000 2.816 1332 F HA 0.568 5.095 4.527 -0.000 0.000 0.302 1332 F C 1.670 177.478 175.800 0.012 0.000 1.178 1332 F CA 0.611 58.624 58.000 0.022 0.000 1.421 1332 F CB -0.165 38.846 39.000 0.018 0.000 1.114 1332 F HN 0.226 nan 8.300 nan 0.000 0.573 1333 A N 1.429 124.157 122.820 -0.153 0.000 1.854 1333 A HA -0.123 4.197 4.320 -0.000 0.000 0.214 1333 A C 2.114 179.619 177.584 -0.133 0.000 1.192 1333 A CA 1.381 53.261 52.037 -0.261 0.000 0.611 1333 A CB -0.669 18.259 19.000 -0.120 0.000 0.832 1333 A HN 0.530 nan 8.150 nan 0.000 0.442 1334 E N 0.343 120.527 120.200 -0.026 0.000 2.516 1334 E HA -0.063 4.287 4.350 -0.000 0.000 0.199 1334 E C 1.776 178.398 176.600 0.038 0.000 1.069 1334 E CA 0.791 57.201 56.400 0.018 0.000 0.876 1334 E CB -0.056 29.679 29.700 0.060 0.000 0.843 1334 E HN 0.773 nan 8.360 nan 0.000 0.530 1335 S N -0.398 115.303 115.700 0.003 0.000 2.503 1335 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 1335 S C 1.820 176.320 174.600 -0.167 0.000 1.003 1335 S CA -0.249 57.933 58.200 -0.030 0.000 0.910 1335 S CB 0.386 63.633 63.200 0.079 0.000 0.790 1335 S HN 0.052 nan 8.310 nan 0.000 0.514 1336 R N 0.071 120.471 120.500 -0.166 0.000 2.123 1336 R HA 0.347 4.687 4.340 -0.000 0.000 0.209 1336 R C -0.195 175.996 176.300 -0.181 0.000 1.078 1336 R CA 0.360 56.342 56.100 -0.197 0.000 1.028 1336 R CB 0.185 30.318 30.300 -0.279 0.000 0.939 1336 R HN 0.308 nan 8.270 nan 0.000 0.463 1337 I N 2.913 123.393 120.570 -0.150 0.000 2.291 1337 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 1337 I C -0.619 175.435 176.117 -0.105 0.000 1.064 1337 I CA 0.195 61.423 61.300 -0.120 0.000 1.269 1337 I CB 0.893 38.852 38.000 -0.069 0.000 1.418 1337 I HN 0.115 nan 8.210 nan 0.000 0.485 1338 R N 4.865 125.284 120.500 -0.135 0.000 2.502 1338 R HA 0.371 4.711 4.340 -0.000 0.000 0.300 1338 R C 1.069 177.294 176.300 -0.126 0.000 0.984 1338 R CA -0.749 55.296 56.100 -0.092 0.000 0.882 1338 R CB 2.403 32.615 30.300 -0.146 0.000 1.180 1338 R HN 0.451 nan 8.270 nan 0.000 0.444 1339 R N 1.864 122.309 120.500 -0.091 0.000 2.105 1339 R HA -0.209 4.131 4.340 -0.000 0.000 0.239 1339 R C 0.566 176.717 176.300 -0.248 0.000 1.135 1339 R CA 1.928 57.918 56.100 -0.184 0.000 0.967 1339 R CB 0.271 30.546 30.300 -0.042 0.000 0.861 1339 R HN 0.586 nan 8.270 nan 0.000 0.442 1340 E N -0.412 119.728 120.200 -0.100 0.000 2.038 1340 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 1340 E C 2.041 178.571 176.600 -0.116 0.000 1.000 1340 E CA 2.354 58.712 56.400 -0.071 0.000 0.803 1340 E CB -0.326 29.398 29.700 0.041 0.000 0.750 1340 E HN 0.564 nan 8.360 nan 0.000 0.448 1341 T N -0.897 113.590 114.554 -0.112 0.000 2.904 1341 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 1341 T C 2.019 176.613 174.700 -0.177 0.000 1.059 1341 T CA 0.748 62.778 62.100 -0.116 0.000 1.137 1341 T CB -0.335 68.477 68.868 -0.092 0.000 0.879 1341 T HN 0.034 nan 8.240 nan 0.000 0.467 1342 I N 1.735 122.153 120.570 -0.255 0.000 2.252 1342 I HA -0.086 4.084 4.170 -0.000 0.000 0.245 1342 I C 3.150 179.035 176.117 -0.387 0.000 1.102 1342 I CA 1.157 62.266 61.300 -0.319 0.000 1.385 1342 I CB -0.508 37.248 38.000 -0.407 0.000 1.064 1342 I HN 0.336 nan 8.210 nan 0.000 0.414 1343 A N 0.644 123.150 122.820 -0.524 0.000 1.898 1343 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 1343 A C 2.528 180.024 177.584 -0.148 0.000 1.181 1343 A CA 1.608 53.419 52.037 -0.377 0.000 0.620 1343 A CB -0.727 18.079 19.000 -0.323 0.000 0.819 1343 A HN 0.410 nan 8.150 nan 0.000 0.442 1344 A N -0.203 122.526 122.820 -0.152 0.000 1.933 1344 A HA -0.170 4.149 4.320 -0.000 0.000 0.218 1344 A C 1.991 179.466 177.584 -0.183 0.000 1.175 1344 A CA 1.735 53.700 52.037 -0.121 0.000 0.628 1344 A CB -0.554 18.386 19.000 -0.100 0.000 0.814 1344 A HN 0.691 nan 8.150 nan 0.000 0.444 1345 E N 0.064 120.119 120.200 -0.242 0.000 2.097 1345 E HA -0.295 4.055 4.350 -0.000 0.000 0.196 1345 E C 1.230 177.682 176.600 -0.246 0.000 1.000 1345 E CA 1.683 57.841 56.400 -0.403 0.000 0.804 1345 E CB -0.201 29.331 29.700 -0.280 0.000 0.740 1345 E HN 0.554 nan 8.360 nan 0.000 0.454 1346 D N 0.009 120.370 120.400 -0.064 0.000 2.104 1346 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 1346 D C 2.085 178.423 176.300 0.063 0.000 0.994 1346 D CA 1.358 55.394 54.000 0.059 0.000 0.830 1346 D CB -0.309 40.542 40.800 0.085 0.000 0.959 1346 D HN 0.133 nan 8.370 nan 0.000 0.452 1347 V N 0.937 120.854 119.914 0.004 0.000 2.343 1347 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 1347 V C 2.610 178.692 176.094 -0.020 0.000 1.051 1347 V CA 1.074 63.383 62.300 0.016 0.000 1.036 1347 V CB -0.520 31.303 31.823 0.001 0.000 0.654 1347 V HN 0.210 nan 8.190 nan 0.000 0.451 1348 L N -0.846 120.294 121.223 -0.139 0.000 2.187 1348 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 1348 L C 2.457 179.225 176.870 -0.171 0.000 1.100 1348 L CA 1.698 56.421 54.840 -0.195 0.000 0.765 1348 L CB -0.685 41.123 42.059 -0.418 0.000 0.904 1348 L HN 0.429 nan 8.230 nan 0.000 0.437 1349 H N -1.079 117.897 119.070 -0.157 0.000 2.363 1349 H HA -0.174 4.382 4.556 -0.000 0.000 0.301 1349 H C 1.948 177.187 175.328 -0.148 0.000 1.074 1349 H CA 1.556 57.531 56.048 -0.122 0.000 1.354 1349 H CB 0.196 29.894 29.762 -0.105 0.000 1.397 1349 H HN 0.192 nan 8.280 nan 0.000 0.516 1350 D N -0.014 120.472 120.400 0.143 0.000 2.178 1350 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 1350 D C 1.637 178.013 176.300 0.125 0.000 0.980 1350 D CA 0.743 54.868 54.000 0.207 0.000 0.842 1350 D CB 0.003 40.950 40.800 0.245 0.000 0.948 1350 D HN 0.322 nan 8.370 nan 0.000 0.472 1351 L N -1.383 119.886 121.223 0.077 0.000 2.492 1351 L HA 0.211 4.551 4.340 -0.000 0.000 0.223 1351 L C 1.601 178.514 176.870 0.072 0.000 1.132 1351 L CA 0.522 55.408 54.840 0.076 0.000 0.850 1351 L CB -0.044 42.046 42.059 0.051 0.000 0.966 1351 L HN 0.241 nan 8.230 nan 0.000 0.454 1352 G N -0.444 108.378 108.800 0.037 0.000 2.132 1352 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.234 1352 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.234 1352 G C 0.900 175.828 174.900 0.046 0.000 0.989 1352 G CA 0.380 45.502 45.100 0.037 0.000 0.676 1352 G HN 0.404 nan 8.290 nan 0.000 0.522 1353 A N -0.931 121.925 122.820 0.061 0.000 1.975 1353 A HA 0.618 4.938 4.320 -0.000 0.000 0.215 1353 A C 0.680 178.375 177.584 0.185 0.000 1.170 1353 A CA 0.841 52.947 52.037 0.114 0.000 0.656 1353 A CB 0.032 19.116 19.000 0.139 0.000 0.821 1353 A HN 0.590 nan 8.150 nan 0.000 0.449 1354 F N -0.070 119.736 119.950 -0.241 0.000 2.415 1354 F HA 0.421 4.948 4.527 -0.000 0.000 0.348 1354 F C 1.181 176.853 175.800 -0.214 0.000 1.119 1354 F CA -0.944 56.851 58.000 -0.342 0.000 1.069 1354 F CB 1.917 40.389 39.000 -0.880 0.000 1.124 1354 F HN -0.019 nan 8.300 nan 0.000 0.472 1355 S N 2.429 118.122 115.700 -0.012 0.000 2.502 1355 S HA 0.319 4.789 4.470 -0.000 0.000 0.215 1355 S C -0.107 174.520 174.600 0.046 0.000 1.009 1355 S CA 0.086 58.288 58.200 0.003 0.000 0.908 1355 S CB 0.247 63.416 63.200 -0.053 0.000 0.801 1355 S HN 0.255 nan 8.310 nan 0.000 0.505 1356 L N 1.163 122.458 121.223 0.120 0.000 2.359 1356 L HA 0.598 4.938 4.340 -0.000 0.000 0.256 1356 L C -0.168 176.864 176.870 0.271 0.000 1.026 1356 L CA -0.427 54.502 54.840 0.149 0.000 0.828 1356 L CB 1.785 43.899 42.059 0.092 0.000 1.406 1356 L HN 0.025 nan 8.230 nan 0.000 0.413 1357 T N -2.145 112.525 114.554 0.194 0.000 2.893 1357 T HA 0.944 5.294 4.350 -0.000 0.000 0.291 1357 T C -0.417 174.357 174.700 0.122 0.000 1.028 1357 T CA -0.528 61.661 62.100 0.149 0.000 0.995 1357 T CB 1.861 70.752 68.868 0.038 0.000 1.051 1357 T HN 0.803 nan 8.240 nan 0.000 0.470 1358 S N 0.343 116.089 115.700 0.077 0.000 2.688 1358 S HA 0.680 5.150 4.470 -0.000 0.000 0.275 1358 S C 0.866 175.436 174.600 -0.050 0.000 1.175 1358 S CA -0.075 58.142 58.200 0.028 0.000 0.818 1358 S CB 1.136 64.366 63.200 0.050 0.000 1.157 1358 S HN 1.144 nan 8.310 nan 0.000 0.482 1359 S N 0.082 115.718 115.700 -0.107 0.000 2.433 1359 S HA 0.259 4.729 4.470 -0.000 0.000 0.216 1359 S C 0.306 174.750 174.600 -0.260 0.000 1.031 1359 S CA 1.170 59.279 58.200 -0.151 0.000 0.931 1359 S CB -0.761 62.358 63.200 -0.135 0.000 0.875 1359 S HN 1.305 nan 8.310 nan 0.000 0.553 1360 D N 1.582 121.746 120.400 -0.392 0.000 2.832 1360 D HA -0.129 4.511 4.640 -0.000 0.000 0.235 1360 D C -0.388 175.771 176.300 -0.236 0.000 1.081 1360 D CA 0.710 54.357 54.000 -0.588 0.000 0.744 1360 D CB -1.920 38.473 40.800 -0.678 0.000 1.086 1360 D HN 0.671 nan 8.370 nan 0.000 0.438 1361 S N 0.800 116.418 115.700 -0.136 0.000 2.885 1361 S HA -0.001 4.469 4.470 -0.000 0.000 0.334 1361 S C 1.047 175.567 174.600 -0.133 0.000 1.224 1361 S CA 1.052 59.179 58.200 -0.122 0.000 1.080 1361 S CB 0.848 63.973 63.200 -0.126 0.000 0.801 1361 S HN 0.457 nan 8.310 nan 0.000 0.510 1362 Q N 0.157 119.870 119.800 -0.146 0.000 2.468 1362 Q HA -0.281 4.059 4.340 -0.000 0.000 0.256 1362 Q C 0.317 176.182 176.000 -0.225 0.000 0.984 1362 Q CA 1.062 56.778 55.803 -0.146 0.000 1.110 1362 Q CB -2.018 26.675 28.738 -0.074 0.000 1.527 1362 Q HN 1.240 nan 8.270 nan 0.000 0.535 1363 A N 0.146 122.773 122.820 -0.323 0.000 3.292 1363 A HA 0.573 4.893 4.320 -0.000 0.000 0.231 1363 A C 0.360 177.785 177.584 -0.265 0.000 0.952 1363 A CA 0.122 51.918 52.037 -0.401 0.000 1.044 1363 A CB 0.450 18.868 19.000 -0.970 0.000 1.236 1363 A HN 0.343 nan 8.150 nan 0.000 0.525 1364 M N -1.183 118.292 119.600 -0.210 0.000 2.614 1364 M HA -0.144 4.336 4.480 -0.000 0.000 0.210 1364 M C 0.158 176.358 176.300 -0.168 0.000 0.592 1364 M CA 1.000 56.192 55.300 -0.180 0.000 0.621 1364 M CB -1.362 31.156 32.600 -0.136 0.000 2.108 1364 M HN 1.262 nan 8.290 nan 0.000 0.817 1365 G N 0.628 109.323 108.800 -0.175 0.000 2.596 1365 G HA2 0.617 4.577 3.960 -0.000 0.000 0.296 1365 G HA3 0.617 4.577 3.960 -0.000 0.000 0.296 1365 G C -1.348 173.466 174.900 -0.143 0.000 1.513 1365 G CA -1.154 43.852 45.100 -0.157 0.000 0.851 1365 G HN 0.270 nan 8.290 nan 0.000 0.548 1366 R N 1.909 122.335 120.500 -0.122 0.000 2.239 1366 R HA 0.374 4.714 4.340 -0.000 0.000 0.332 1366 R C 1.066 177.301 176.300 -0.109 0.000 0.988 1366 R CA -0.715 55.316 56.100 -0.114 0.000 0.859 1366 R CB 2.042 32.275 30.300 -0.111 0.000 1.148 1366 R HN 0.326 nan 8.270 nan 0.000 0.482 1367 V N 2.901 122.752 119.914 -0.105 0.000 2.546 1367 V HA -0.162 3.958 4.120 -0.000 0.000 0.254 1367 V C 1.471 177.515 176.094 -0.084 0.000 1.076 1367 V CA 2.541 64.783 62.300 -0.097 0.000 1.087 1367 V CB -0.081 31.689 31.823 -0.089 0.000 0.674 1367 V HN 1.001 nan 8.190 nan 0.000 0.470 1368 G N -1.425 107.325 108.800 -0.083 0.000 3.337 1368 G HA2 0.129 4.089 3.960 -0.000 0.000 0.246 1368 G HA3 0.129 4.089 3.960 -0.000 0.000 0.246 1368 G C 0.751 175.605 174.900 -0.077 0.000 1.131 1368 G CA 0.060 45.116 45.100 -0.073 0.000 0.773 1368 G HN 0.604 nan 8.290 nan 0.000 0.544 1369 E N 0.089 120.232 120.200 -0.094 0.000 2.734 1369 E HA 0.146 4.496 4.350 -0.000 0.000 0.211 1369 E C 1.456 177.990 176.600 -0.110 0.000 0.991 1369 E CA -0.226 56.117 56.400 -0.095 0.000 1.065 1369 E CB 1.113 30.750 29.700 -0.104 0.000 1.047 1369 E HN 0.192 nan 8.360 nan 0.000 0.470 1370 V N 0.782 120.617 119.914 -0.131 0.000 2.307 1370 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 1370 V C 2.141 178.059 176.094 -0.293 0.000 1.045 1370 V CA 1.544 63.743 62.300 -0.168 0.000 1.024 1370 V CB -0.256 31.479 31.823 -0.146 0.000 0.651 1370 V HN 0.357 nan 8.190 nan 0.000 0.449 1371 I N -0.376 119.961 120.570 -0.387 0.000 2.233 1371 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 1371 I C 2.442 178.417 176.117 -0.237 0.000 1.093 1371 I CA 1.501 62.447 61.300 -0.590 0.000 1.380 1371 I CB -0.340 37.371 38.000 -0.480 0.000 1.067 1371 I HN 0.281 nan 8.210 nan 0.000 0.413 1372 L N 1.032 122.194 121.223 -0.102 0.000 2.013 1372 L HA -0.265 4.075 4.340 -0.000 0.000 0.212 1372 L C 2.815 179.683 176.870 -0.003 0.000 1.073 1372 L CA 1.771 56.609 54.840 -0.003 0.000 0.753 1372 L CB -0.275 41.790 42.059 0.011 0.000 0.890 1372 L HN 0.139 nan 8.230 nan 0.000 0.432 1373 R N -1.152 119.311 120.500 -0.061 0.000 2.115 1373 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 1373 R C 2.106 178.356 176.300 -0.082 0.000 1.100 1373 R CA 1.640 57.709 56.100 -0.051 0.000 0.980 1373 R CB -0.435 29.832 30.300 -0.054 0.000 0.875 1373 R HN 0.426 nan 8.270 nan 0.000 0.445 1374 T N -0.222 114.223 114.554 -0.182 0.000 2.746 1374 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 1374 T C 1.195 175.709 174.700 -0.311 0.000 1.039 1374 T CA 1.249 63.196 62.100 -0.255 0.000 1.142 1374 T CB -0.180 68.483 68.868 -0.341 0.000 0.866 1374 T HN 0.445 nan 8.240 nan 0.000 0.444 1375 W N 1.457 122.770 121.300 0.021 0.000 2.467 1375 W HA 0.042 4.702 4.660 -0.000 0.000 0.275 1375 W C 2.603 179.093 176.519 -0.047 0.000 1.239 1375 W CA -0.039 57.291 57.345 -0.024 0.000 1.266 1375 W CB -0.187 29.273 29.460 -0.001 0.000 1.112 1375 W HN 0.290 nan 8.180 nan 0.000 0.576 1376 Q N -0.025 119.857 119.800 0.136 0.000 2.167 1376 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 1376 Q C 2.120 178.181 176.000 0.102 0.000 0.970 1376 Q CA 1.516 57.384 55.803 0.107 0.000 0.855 1376 Q CB -0.401 28.374 28.738 0.063 0.000 0.911 1376 Q HN 0.189 nan 8.270 nan 0.000 0.438 1377 V N 0.820 120.754 119.914 0.034 0.000 2.307 1377 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 1377 V C 2.265 178.325 176.094 -0.057 0.000 1.045 1377 V CA 1.790 64.113 62.300 0.038 0.000 1.024 1377 V CB -0.963 30.909 31.823 0.082 0.000 0.651 1377 V HN 0.383 nan 8.190 nan 0.000 0.449 1378 A N -0.172 122.438 122.820 -0.349 0.000 1.908 1378 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 1378 A C 2.111 179.600 177.584 -0.158 0.000 1.181 1378 A CA 2.459 54.103 52.037 -0.655 0.000 0.627 1378 A CB -0.877 17.586 19.000 -0.895 0.000 0.818 1378 A HN 0.795 nan 8.150 nan 0.000 0.445 1379 H N -0.619 118.403 119.070 -0.079 0.000 2.293 1379 H HA -0.077 4.478 4.556 -0.000 0.000 0.300 1379 H C 2.238 177.564 175.328 -0.003 0.000 1.082 1379 H CA 1.977 58.017 56.048 -0.015 0.000 1.308 1379 H CB -0.038 29.733 29.762 0.014 0.000 1.375 1379 H HN 0.224 nan 8.280 nan 0.000 0.495 1380 R N -0.227 120.261 120.500 -0.022 0.000 2.096 1380 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 1380 R C 2.228 178.493 176.300 -0.059 0.000 1.127 1380 R CA 1.240 57.309 56.100 -0.051 0.000 0.968 1380 R CB -0.327 30.015 30.300 0.072 0.000 0.861 1380 R HN 0.477 nan 8.270 nan 0.000 0.440 1381 M N 0.330 119.916 119.600 -0.023 0.000 2.200 1381 M HA -0.088 4.391 4.480 -0.000 0.000 0.265 1381 M C 2.109 178.404 176.300 -0.009 0.000 1.066 1381 M CA 1.221 56.532 55.300 0.018 0.000 1.127 1381 M CB -0.673 31.981 32.600 0.090 0.000 1.379 1381 M HN 0.052 nan 8.290 nan 0.000 0.420 1382 K N 0.407 120.776 120.400 -0.053 0.000 2.057 1382 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 1382 K C 1.843 178.404 176.600 -0.066 0.000 1.050 1382 K CA 1.213 57.476 56.287 -0.040 0.000 0.935 1382 K CB 0.071 32.546 32.500 -0.041 0.000 0.715 1382 K HN 0.084 nan 8.250 nan 0.000 0.439 1383 V N 1.609 121.432 119.914 -0.151 0.000 2.332 1383 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 1383 V C 2.294 178.352 176.094 -0.060 0.000 1.055 1383 V CA 1.943 64.161 62.300 -0.136 0.000 1.038 1383 V CB -0.409 31.273 31.823 -0.234 0.000 0.651 1383 V HN 0.444 nan 8.190 nan 0.000 0.450 1384 Q N -0.822 118.953 119.800 -0.041 0.000 2.204 1384 Q HA 0.025 4.365 4.340 -0.000 0.000 0.198 1384 Q C 2.242 178.246 176.000 0.007 0.000 0.946 1384 Q CA 0.832 56.630 55.803 -0.008 0.000 0.859 1384 Q CB 0.072 28.815 28.738 0.008 0.000 0.946 1384 Q HN 0.577 nan 8.270 nan 0.000 0.474 1385 R N -0.375 120.133 120.500 0.014 0.000 2.335 1385 R HA 0.243 4.583 4.340 -0.000 0.000 0.210 1385 R C 0.744 177.061 176.300 0.027 0.000 0.892 1385 R CA 0.447 56.563 56.100 0.027 0.000 1.048 1385 R CB 1.022 31.349 30.300 0.045 0.000 1.067 1385 R HN 0.208 nan 8.270 nan 0.000 0.524 1386 G N 1.452 110.263 108.800 0.019 0.000 2.593 1386 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.237 1386 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.237 1386 G C -0.343 174.582 174.900 0.042 0.000 1.312 1386 G CA -0.424 44.689 45.100 0.023 0.000 0.896 1386 G HN 0.420 nan 8.290 nan 0.000 0.574 1387 A N -0.514 122.332 122.820 0.043 0.000 2.407 1387 A HA 0.650 4.970 4.320 -0.000 0.000 0.248 1387 A C 0.854 178.483 177.584 0.074 0.000 1.082 1387 A CA 0.106 52.180 52.037 0.061 0.000 0.785 1387 A CB 0.171 19.199 19.000 0.047 0.000 1.020 1387 A HN 1.191 nan 8.150 nan 0.000 0.489 1388 L N 1.298 122.587 121.223 0.111 0.000 2.436 1388 L HA 0.268 4.608 4.340 -0.000 0.000 0.265 1388 L C 1.803 178.707 176.870 0.057 0.000 1.168 1388 L CA -0.034 54.880 54.840 0.123 0.000 0.815 1388 L CB 0.878 43.080 42.059 0.239 0.000 1.109 1388 L HN 0.903 nan 8.230 nan 0.000 0.462 1389 A N 1.376 124.213 122.820 0.028 0.000 2.019 1389 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 1389 A C 1.781 179.311 177.584 -0.090 0.000 1.164 1389 A CA 1.406 53.430 52.037 -0.020 0.000 0.644 1389 A CB -0.360 18.630 19.000 -0.017 0.000 0.805 1389 A HN 0.868 nan 8.150 nan 0.000 0.449 1390 E N -0.140 119.952 120.200 -0.180 0.000 2.478 1390 E HA 0.083 4.433 4.350 -0.000 0.000 0.194 1390 E C 0.477 176.879 176.600 -0.329 0.000 1.045 1390 E CA 0.078 56.218 56.400 -0.433 0.000 0.868 1390 E CB 0.067 29.091 29.700 -1.127 0.000 0.885 1390 E HN 0.586 nan 8.360 nan 0.000 0.505 1391 E N 1.279 121.422 120.200 -0.095 0.000 2.384 1391 E HA 0.073 4.423 4.350 -0.000 0.000 0.266 1391 E C -0.497 176.100 176.600 -0.005 0.000 1.012 1391 E CA 0.015 56.428 56.400 0.022 0.000 0.901 1391 E CB 0.512 30.266 29.700 0.089 0.000 0.967 1391 E HN 0.082 nan 8.360 nan 0.000 0.435 1392 T N 1.137 115.700 114.554 0.016 0.000 2.887 1392 T HA 0.784 5.134 4.350 -0.000 0.000 0.288 1392 T C 0.379 175.092 174.700 0.022 0.000 1.021 1392 T CA -0.390 61.715 62.100 0.007 0.000 1.000 1392 T CB 1.509 70.379 68.868 0.003 0.000 1.034 1392 T HN 0.829 nan 8.240 nan 0.000 0.467 1393 G N 1.309 110.115 108.800 0.010 0.000 2.860 1393 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.553 1393 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.553 1393 G C -0.645 174.257 174.900 0.003 0.000 1.439 1393 G CA -0.247 44.857 45.100 0.007 0.000 0.879 1393 G HN 1.094 nan 8.290 nan 0.000 0.545 1394 D N 1.436 121.828 120.400 -0.014 0.000 2.631 1394 D HA 0.415 5.055 4.640 -0.000 0.000 0.227 1394 D C 0.787 177.069 176.300 -0.029 0.000 1.146 1394 D CA 0.410 54.391 54.000 -0.032 0.000 1.009 1394 D CB -0.453 40.309 40.800 -0.064 0.000 1.057 1394 D HN 0.703 nan 8.370 nan 0.000 0.509 1395 N N -0.363 118.346 118.700 0.016 0.000 3.020 1395 N HA 0.171 4.911 4.740 -0.000 0.000 0.248 1395 N C -1.001 174.560 175.510 0.084 0.000 1.480 1395 N CA -0.732 52.351 53.050 0.055 0.000 0.874 1395 N CB 1.182 39.705 38.487 0.059 0.000 1.433 1395 N HN -0.151 nan 8.380 nan 0.000 0.530 1396 D N -0.186 120.278 120.400 0.107 0.000 2.559 1396 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 1396 D C 0.253 176.610 176.300 0.095 0.000 1.226 1396 D CA -0.237 53.828 54.000 0.108 0.000 0.830 1396 D CB -0.005 40.859 40.800 0.107 0.000 1.028 1396 D HN 0.363 nan 8.370 nan 0.000 0.492 1397 N N 0.817 119.569 118.700 0.086 0.000 2.060 1397 N HA -0.200 4.540 4.740 -0.000 0.000 0.195 1397 N C 1.412 176.967 175.510 0.075 0.000 1.028 1397 N CA 0.869 53.958 53.050 0.065 0.000 0.861 1397 N CB -0.459 38.068 38.487 0.067 0.000 1.029 1397 N HN 0.276 nan 8.380 nan 0.000 0.428 1398 F N 1.522 121.478 119.950 0.010 0.000 2.134 1398 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 1398 F C 2.566 178.387 175.800 0.035 0.000 1.097 1398 F CA 1.185 59.170 58.000 -0.025 0.000 1.264 1398 F CB -0.063 38.915 39.000 -0.037 0.000 1.001 1398 F HN -0.067 nan 8.300 nan 0.000 0.479 1399 R N 0.028 120.567 120.500 0.066 0.000 2.091 1399 R HA -0.149 4.191 4.340 -0.000 0.000 0.238 1399 R C 2.012 178.414 176.300 0.170 0.000 1.136 1399 R CA 1.920 58.093 56.100 0.123 0.000 0.959 1399 R CB -0.627 29.784 30.300 0.185 0.000 0.856 1399 R HN 0.289 nan 8.270 nan 0.000 0.437 1400 V N 1.285 121.288 119.914 0.147 0.000 2.343 1400 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 1400 V C 2.157 178.388 176.094 0.229 0.000 1.051 1400 V CA 2.010 64.485 62.300 0.292 0.000 1.036 1400 V CB -0.384 31.488 31.823 0.081 0.000 0.654 1400 V HN 0.379 nan 8.190 nan 0.000 0.451 1401 K N -0.171 120.211 120.400 -0.029 0.000 2.097 1401 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 1401 K C 2.367 178.933 176.600 -0.057 0.000 1.050 1401 K CA 1.428 57.675 56.287 -0.066 0.000 0.938 1401 K CB -0.236 32.126 32.500 -0.230 0.000 0.718 1401 K HN 0.350 nan 8.250 nan 0.000 0.442 1402 R N 0.090 120.390 120.500 -0.333 0.000 2.081 1402 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 1402 R C 1.747 177.975 176.300 -0.122 0.000 1.131 1402 R CA 1.558 57.513 56.100 -0.243 0.000 0.960 1402 R CB -0.236 29.839 30.300 -0.375 0.000 0.856 1402 R HN 0.182 nan 8.270 nan 0.000 0.436 1403 Y N 0.271 120.493 120.300 -0.130 0.000 2.286 1403 Y HA -0.056 4.494 4.550 -0.000 0.000 0.293 1403 Y C 2.143 177.825 175.900 -0.362 0.000 1.124 1403 Y CA 1.202 59.149 58.100 -0.256 0.000 1.178 1403 Y CB -0.104 38.099 38.460 -0.429 0.000 1.010 1403 Y HN 0.086 nan 8.280 nan 0.000 0.536 1404 I N -0.460 120.080 120.570 -0.050 0.000 2.394 1404 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 1404 I C 2.290 178.167 176.117 -0.400 0.000 1.136 1404 I CA 1.164 62.327 61.300 -0.229 0.000 1.425 1404 I CB -0.128 37.979 38.000 0.178 0.000 1.079 1404 I HN 0.194 nan 8.210 nan 0.000 0.425 1405 A N 0.521 123.253 122.820 -0.147 0.000 2.019 1405 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 1405 A C 2.189 179.683 177.584 -0.149 0.000 1.164 1405 A CA 1.443 53.410 52.037 -0.116 0.000 0.644 1405 A CB -0.435 18.538 19.000 -0.046 0.000 0.805 1405 A HN 0.422 nan 8.150 nan 0.000 0.449 1406 K N -1.317 118.988 120.400 -0.158 0.000 2.209 1406 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 1406 K C 1.095 177.718 176.600 0.040 0.000 1.048 1406 K CA 1.696 57.952 56.287 -0.051 0.000 0.940 1406 K CB -0.243 32.237 32.500 -0.034 0.000 0.729 1406 K HN 0.917 nan 8.250 nan 0.000 0.451 1407 Y N -1.615 118.685 120.300 0.000 0.000 2.612 1407 Y HA 0.286 4.835 4.550 -0.000 0.000 0.250 1407 Y C 1.131 177.073 175.900 0.070 0.000 1.175 1407 Y CA -0.221 57.896 58.100 0.029 0.000 1.205 1407 Y CB -0.261 38.204 38.460 0.009 0.000 1.201 1407 Y HN -0.065 nan 8.280 nan 0.000 0.532 1408 T N -2.736 111.781 114.554 -0.062 0.000 3.409 1408 T HA 0.123 4.473 4.350 -0.000 0.000 0.188 1408 T C 1.325 176.045 174.700 0.033 0.000 0.929 1408 T CA 0.630 62.744 62.100 0.024 0.000 1.184 1408 T CB -0.779 68.081 68.868 -0.014 0.000 1.570 1408 T HN 0.092 nan 8.240 nan 0.000 0.367 1409 I N 3.038 123.606 120.570 -0.004 0.000 2.252 1409 I HA -0.005 4.165 4.170 -0.000 0.000 0.245 1409 I C 1.878 177.955 176.117 -0.066 0.000 1.102 1409 I CA 1.324 62.601 61.300 -0.039 0.000 1.385 1409 I CB -0.816 37.088 38.000 -0.161 0.000 1.064 1409 I HN 0.246 nan 8.210 nan 0.000 0.414 1410 N N 0.769 119.421 118.700 -0.080 0.000 2.120 1410 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 1410 N C -0.786 174.695 175.510 -0.048 0.000 1.024 1410 N CA 1.666 54.670 53.050 -0.078 0.000 0.852 1410 N CB -1.820 36.620 38.487 -0.079 0.000 1.003 1410 N HN 0.320 nan 8.380 nan 0.000 0.424 1411 P HA 0.006 nan 4.420 nan 0.000 0.217 1411 P C 1.032 178.370 177.300 0.062 0.000 1.151 1411 P CA 1.289 64.421 63.100 0.054 0.000 0.828 1411 P CB 0.001 31.759 31.700 0.098 0.000 0.788 1412 A N -0.643 122.195 122.820 0.030 0.000 1.898 1412 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 1412 A C 2.172 179.759 177.584 0.004 0.000 1.181 1412 A CA 1.364 53.409 52.037 0.013 0.000 0.620 1412 A CB -1.616 17.396 19.000 0.021 0.000 0.819 1412 A HN 0.101 nan 8.150 nan 0.000 0.442 1413 L N -0.821 120.390 121.223 -0.020 0.000 2.027 1413 L HA -0.150 4.190 4.340 -0.000 0.000 0.206 1413 L C 2.787 179.615 176.870 -0.071 0.000 1.074 1413 L CA 1.762 56.578 54.840 -0.040 0.000 0.745 1413 L CB -0.926 41.093 42.059 -0.066 0.000 0.898 1413 L HN 0.332 nan 8.230 nan 0.000 0.433 1414 T N -2.010 112.481 114.554 -0.106 0.000 2.759 1414 T HA -0.204 4.146 4.350 -0.000 0.000 0.269 1414 T C 1.420 175.936 174.700 -0.307 0.000 1.042 1414 T CA 1.221 63.190 62.100 -0.220 0.000 1.140 1414 T CB -0.257 68.426 68.868 -0.309 0.000 0.864 1414 T HN 0.364 nan 8.240 nan 0.000 0.455 1415 H N -0.368 118.662 119.070 -0.067 0.000 2.520 1415 H HA 0.354 4.910 4.556 -0.000 0.000 0.284 1415 H C 1.617 176.902 175.328 -0.072 0.000 1.037 1415 H CA 0.305 56.319 56.048 -0.057 0.000 1.168 1415 H CB 0.132 29.863 29.762 -0.052 0.000 1.497 1415 H HN 0.488 nan 8.280 nan 0.000 0.547 1416 G N 2.410 111.213 108.800 0.005 0.000 2.249 1416 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.273 1416 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.273 1416 G C 0.850 175.816 174.900 0.111 0.000 1.036 1416 G CA 0.741 45.863 45.100 0.036 0.000 0.824 1416 G HN 0.640 nan 8.290 nan 0.000 0.504 1417 I N -4.132 116.455 120.570 0.027 0.000 4.147 1417 I HA 0.666 4.836 4.170 -0.000 0.000 0.329 1417 I C 1.769 177.865 176.117 -0.034 0.000 1.424 1417 I CA 0.350 61.598 61.300 -0.088 0.000 1.127 1417 I CB 0.320 37.967 38.000 -0.588 0.000 1.128 1417 I HN 0.121 nan 8.210 nan 0.000 0.417 1418 A N 2.048 124.921 122.820 0.089 0.000 2.172 1418 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 1418 A C 2.148 179.802 177.584 0.117 0.000 1.154 1418 A CA 1.565 53.651 52.037 0.081 0.000 0.701 1418 A CB -1.098 17.942 19.000 0.066 0.000 0.789 1418 A HN 0.783 nan 8.150 nan 0.000 0.465 1419 H N -1.854 117.252 119.070 0.060 0.000 2.548 1419 H HA 0.144 4.700 4.556 -0.000 0.000 0.268 1419 H C 0.911 176.299 175.328 0.099 0.000 0.975 1419 H CA 1.109 57.199 56.048 0.069 0.000 1.195 1419 H CB 0.065 29.863 29.762 0.060 0.000 1.397 1419 H HN 0.480 nan 8.280 nan 0.000 0.572 1420 E N 1.094 121.123 120.200 -0.284 0.000 2.288 1420 E HA 0.145 4.495 4.350 -0.000 0.000 0.200 1420 E C 1.250 177.868 176.600 0.029 0.000 0.880 1420 E CA 0.870 57.194 56.400 -0.128 0.000 0.971 1420 E CB 1.080 30.721 29.700 -0.098 0.000 0.954 1420 E HN 0.373 nan 8.360 nan 0.000 0.489 1421 V N -4.569 115.381 119.914 0.059 0.000 3.084 1421 V HA 0.860 4.980 4.120 -0.000 0.000 0.311 1421 V C 0.870 177.027 176.094 0.105 0.000 1.311 1421 V CA -0.179 62.187 62.300 0.110 0.000 1.062 1421 V CB 1.164 33.084 31.823 0.161 0.000 1.113 1421 V HN 0.327 nan 8.190 nan 0.000 0.468 1422 G N -0.139 108.739 108.800 0.129 0.000 2.238 1422 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 1422 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 1422 G C 0.259 175.263 174.900 0.174 0.000 0.996 1422 G CA 0.616 45.793 45.100 0.128 0.000 0.632 1422 G HN 2.468 nan 8.290 nan 0.000 0.503 1423 S N -1.210 114.616 115.700 0.209 0.000 2.615 1423 S HA 0.633 5.103 4.470 -0.000 0.000 0.268 1423 S C -0.714 174.051 174.600 0.275 0.000 1.146 1423 S CA -0.666 57.706 58.200 0.287 0.000 0.818 1423 S CB 1.090 64.544 63.200 0.423 0.000 1.111 1423 S HN 0.776 nan 8.310 nan 0.000 0.465 1424 I N 1.611 122.389 120.570 0.346 0.000 2.224 1424 I HA 0.355 4.525 4.170 -0.000 0.000 0.293 1424 I C -0.009 176.307 176.117 0.331 0.000 1.155 1424 I CA 0.246 61.745 61.300 0.331 0.000 1.297 1424 I CB -0.342 37.873 38.000 0.358 0.000 1.487 1424 I HN 0.561 nan 8.210 nan 0.000 0.564 1425 E N 3.493 123.800 120.200 0.178 0.000 2.340 1425 E HA 0.394 4.744 4.350 -0.000 0.000 0.273 1425 E C -0.844 175.771 176.600 0.025 0.000 0.891 1425 E CA -1.005 55.419 56.400 0.040 0.000 0.757 1425 E CB 3.188 32.905 29.700 0.029 0.000 1.231 1425 E HN 0.056 nan 8.360 nan 0.000 0.439 1426 V N 1.931 121.820 119.914 -0.041 0.000 2.644 1426 V HA 0.106 4.226 4.120 -0.000 0.000 0.305 1426 V C 1.402 177.490 176.094 -0.010 0.000 1.053 1426 V CA 2.099 64.373 62.300 -0.043 0.000 1.186 1426 V CB 0.353 32.106 31.823 -0.116 0.000 0.895 1426 V HN 1.109 nan 8.190 nan 0.000 0.490 1427 G N 3.850 112.659 108.800 0.015 0.000 2.241 1427 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 1427 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 1427 G C 0.306 175.239 174.900 0.056 0.000 0.998 1427 G CA 0.202 45.323 45.100 0.035 0.000 0.621 1427 G HN 0.605 nan 8.290 nan 0.000 0.519 1428 K N 0.047 120.486 120.400 0.065 0.000 2.126 1428 K HA 0.573 4.893 4.320 -0.000 0.000 0.257 1428 K C 0.322 176.969 176.600 0.079 0.000 1.007 1428 K CA -0.899 55.432 56.287 0.074 0.000 0.928 1428 K CB 1.421 33.977 32.500 0.093 0.000 1.013 1428 K HN 0.154 nan 8.250 nan 0.000 0.473 1429 L N 1.791 123.056 121.223 0.071 0.000 2.525 1429 L HA -0.023 4.317 4.340 -0.000 0.000 0.278 1429 L C -0.016 176.907 176.870 0.088 0.000 1.218 1429 L CA 0.748 55.629 54.840 0.068 0.000 0.878 1429 L CB 0.447 42.540 42.059 0.055 0.000 1.127 1429 L HN 0.747 nan 8.230 nan 0.000 0.492 1430 A N 3.967 126.839 122.820 0.086 0.000 3.048 1430 A HA 0.171 4.491 4.320 -0.000 0.000 0.264 1430 A C -0.387 177.251 177.584 0.090 0.000 1.796 1430 A CA -0.395 51.699 52.037 0.094 0.000 1.445 1430 A CB -1.177 17.877 19.000 0.090 0.000 1.074 1430 A HN 0.690 nan 8.150 nan 0.000 0.621 1431 D N 1.454 121.914 120.400 0.100 0.000 2.428 1431 D HA 0.529 5.169 4.640 -0.000 0.000 0.221 1431 D C -0.327 176.038 176.300 0.110 0.000 1.123 1431 D CA 0.454 54.513 54.000 0.098 0.000 0.869 1431 D CB 0.971 41.838 40.800 0.111 0.000 1.032 1431 D HN 0.396 nan 8.370 nan 0.000 0.506 1432 L N 1.136 122.411 121.223 0.087 0.000 2.388 1432 L HA 0.629 4.968 4.340 -0.000 0.000 0.264 1432 L C -0.547 176.342 176.870 0.032 0.000 0.998 1432 L CA -1.213 53.682 54.840 0.091 0.000 0.817 1432 L CB 2.434 44.550 42.059 0.094 0.000 1.338 1432 L HN -0.091 nan 8.230 nan 0.000 0.414 1433 V N 2.265 122.193 119.914 0.023 0.000 2.487 1433 V HA 0.436 4.556 4.120 -0.000 0.000 0.298 1433 V C -0.249 175.700 176.094 -0.241 0.000 1.028 1433 V CA -0.699 61.485 62.300 -0.194 0.000 0.860 1433 V CB 2.160 33.815 31.823 -0.282 0.000 0.991 1433 V HN 0.418 nan 8.190 nan 0.000 0.427 1434 V N 4.001 123.731 119.914 -0.307 0.000 2.394 1434 V HA 0.509 4.629 4.120 -0.000 0.000 0.282 1434 V C -0.817 175.144 176.094 -0.221 0.000 1.031 1434 V CA -0.487 61.735 62.300 -0.130 0.000 0.881 1434 V CB 1.279 33.079 31.823 -0.039 0.000 0.982 1434 V HN 0.909 nan 8.190 nan 0.000 0.451 1435 W N 1.916 123.291 121.300 0.124 0.000 2.844 1435 W HA 0.642 5.302 4.660 -0.000 0.000 0.340 1435 W C 0.258 176.869 176.519 0.153 0.000 1.093 1435 W CA -0.672 56.758 57.345 0.143 0.000 1.212 1435 W CB 1.772 31.360 29.460 0.213 0.000 1.422 1435 W HN 0.476 nan 8.180 nan 0.000 0.515 1436 S N 2.305 118.263 115.700 0.431 0.000 2.525 1436 S HA 0.323 4.793 4.470 -0.000 0.000 0.278 1436 S C -1.578 173.224 174.600 0.337 0.000 1.234 1436 S CA -1.311 57.085 58.200 0.326 0.000 1.058 1436 S CB 1.176 64.577 63.200 0.335 0.000 0.983 1436 S HN 0.218 nan 8.310 nan 0.000 0.495 1437 P HA -0.123 nan 4.420 nan 0.000 0.217 1437 P C 1.227 178.548 177.300 0.036 0.000 1.151 1437 P CA 1.765 64.909 63.100 0.072 0.000 0.849 1437 P CB 0.009 31.703 31.700 -0.011 0.000 0.787 1438 A N -2.345 120.505 122.820 0.050 0.000 2.067 1438 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 1438 A C 1.316 178.750 177.584 -0.249 0.000 1.158 1438 A CA 1.216 53.180 52.037 -0.121 0.000 0.661 1438 A CB -1.292 17.599 19.000 -0.182 0.000 0.801 1438 A HN 0.190 nan 8.150 nan 0.000 0.452 1439 F N -2.357 117.677 119.950 0.140 0.000 2.698 1439 F HA 0.322 4.849 4.527 -0.000 0.000 0.304 1439 F C 0.269 176.077 175.800 0.014 0.000 1.108 1439 F CA -1.157 56.887 58.000 0.072 0.000 1.263 1439 F CB 0.091 39.183 39.000 0.154 0.000 1.013 1439 F HN 0.162 nan 8.300 nan 0.000 0.532 1440 F N 1.419 121.327 119.950 -0.070 0.000 2.623 1440 F HA 0.344 4.871 4.527 -0.000 0.000 0.383 1440 F C 1.378 176.767 175.800 -0.685 0.000 1.077 1440 F CA 1.082 58.819 58.000 -0.437 0.000 1.268 1440 F CB 0.499 39.169 39.000 -0.549 0.000 1.053 1440 F HN 0.320 nan 8.300 nan 0.000 0.571 1441 G N 3.369 110.851 108.800 -2.196 0.000 2.220 1441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.269 1441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.269 1441 G C 0.532 175.184 174.900 -0.414 0.000 0.977 1441 G CA 0.534 44.818 45.100 -1.360 0.000 0.634 1441 G HN 0.767 nan 8.290 nan 0.000 0.539 1442 V N -0.769 119.028 119.914 -0.195 0.000 2.870 1442 V HA 0.381 4.501 4.120 -0.000 0.000 0.232 1442 V C 1.002 177.216 176.094 0.199 0.000 1.161 1442 V CA 1.767 64.046 62.300 -0.034 0.000 1.204 1442 V CB 0.352 31.907 31.823 -0.445 0.000 1.003 1442 V HN 0.256 nan 8.190 nan 0.000 0.499 1443 K N 2.004 122.592 120.400 0.314 0.000 2.640 1443 K HA 0.394 4.714 4.320 -0.000 0.000 0.245 1443 K C -2.885 173.906 176.600 0.317 0.000 0.962 1443 K CA -1.609 54.856 56.287 0.296 0.000 0.896 1443 K CB 2.531 35.160 32.500 0.215 0.000 1.147 1443 K HN 0.204 nan 8.250 nan 0.000 0.445 1444 P HA 0.056 nan 4.420 nan 0.000 0.274 1444 P C -0.103 177.155 177.300 -0.069 0.000 1.231 1444 P CA -0.151 62.769 63.100 -0.301 0.000 0.790 1444 P CB 1.541 32.701 31.700 -0.901 0.000 0.951 1445 A N 2.322 125.066 122.820 -0.126 0.000 1.975 1445 A HA 0.152 4.472 4.320 -0.000 0.000 0.215 1445 A C 0.649 178.172 177.584 -0.101 0.000 1.170 1445 A CA 1.280 53.261 52.037 -0.093 0.000 0.656 1445 A CB -0.432 18.543 19.000 -0.042 0.000 0.821 1445 A HN 0.617 nan 8.150 nan 0.000 0.449 1446 T N -0.811 113.662 114.554 -0.136 0.000 3.097 1446 T HA 0.488 4.838 4.350 -0.000 0.000 0.332 1446 T C -1.353 173.265 174.700 -0.138 0.000 1.269 1446 T CA -0.408 61.632 62.100 -0.099 0.000 1.076 1446 T CB 1.911 70.739 68.868 -0.067 0.000 1.209 1446 T HN 0.008 nan 8.240 nan 0.000 0.474 1447 V N 3.988 123.853 119.914 -0.083 0.000 2.378 1447 V HA 0.517 4.637 4.120 -0.000 0.000 0.288 1447 V C -0.350 175.728 176.094 -0.026 0.000 1.016 1447 V CA -0.732 61.519 62.300 -0.081 0.000 0.840 1447 V CB 1.179 32.958 31.823 -0.074 0.000 0.994 1447 V HN 0.784 nan 8.190 nan 0.000 0.431 1448 I N 5.384 125.947 120.570 -0.011 0.000 2.336 1448 I HA 0.466 4.635 4.170 -0.000 0.000 0.292 1448 I C 0.052 176.191 176.117 0.037 0.000 0.991 1448 I CA -0.537 60.774 61.300 0.018 0.000 1.227 1448 I CB 1.297 39.312 38.000 0.026 0.000 1.366 1448 I HN 0.315 nan 8.210 nan 0.000 0.466 1449 K N 4.595 125.020 120.400 0.043 0.000 2.367 1449 K HA 0.339 4.659 4.320 -0.000 0.000 0.263 1449 K C 0.461 177.097 176.600 0.059 0.000 1.000 1449 K CA -0.369 55.949 56.287 0.052 0.000 0.891 1449 K CB 1.524 34.052 32.500 0.047 0.000 1.117 1449 K HN 0.874 nan 8.250 nan 0.000 0.443 1450 G N 2.023 110.861 108.800 0.063 0.000 2.341 1450 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.292 1450 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.292 1450 G C 0.800 175.748 174.900 0.080 0.000 1.021 1450 G CA 1.226 46.367 45.100 0.068 0.000 0.905 1450 G HN 1.058 nan 8.290 nan 0.000 0.508 1451 G N -2.038 106.803 108.800 0.069 0.000 2.195 1451 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.246 1451 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.246 1451 G C 0.311 175.238 174.900 0.045 0.000 0.984 1451 G CA 0.833 45.968 45.100 0.059 0.000 0.633 1451 G HN 1.055 nan 8.290 nan 0.000 0.525 1452 M N 0.560 120.191 119.600 0.051 0.000 2.465 1452 M HA 0.539 5.019 4.480 -0.000 0.000 0.316 1452 M C 0.245 176.573 176.300 0.047 0.000 1.121 1452 M CA -0.864 54.465 55.300 0.048 0.000 0.934 1452 M CB 2.146 34.782 32.600 0.059 0.000 1.692 1452 M HN 0.046 nan 8.290 nan 0.000 0.444 1453 I N 1.896 122.495 120.570 0.048 0.000 2.517 1453 I HA 0.041 4.211 4.170 -0.000 0.000 0.285 1453 I C 0.944 177.085 176.117 0.040 0.000 1.106 1453 I CA 0.080 61.402 61.300 0.036 0.000 1.402 1453 I CB 1.030 39.050 38.000 0.034 0.000 1.399 1453 I HN 0.887 nan 8.210 nan 0.000 0.535 1454 A N 7.339 130.172 122.820 0.022 0.000 2.014 1454 A HA 0.376 4.696 4.320 -0.000 0.000 0.210 1454 A C 0.698 178.281 177.584 -0.001 0.000 1.188 1454 A CA 0.653 52.698 52.037 0.014 0.000 0.731 1454 A CB 0.415 19.426 19.000 0.019 0.000 0.858 1454 A HN 0.666 nan 8.150 nan 0.000 0.464 1455 I N -2.330 118.244 120.570 0.008 0.000 2.842 1455 I HA 0.591 4.761 4.170 -0.000 0.000 0.297 1455 I C -1.564 174.586 176.117 0.055 0.000 1.380 1455 I CA -0.501 60.817 61.300 0.031 0.000 1.018 1455 I CB 2.163 40.196 38.000 0.054 0.000 1.311 1455 I HN 0.270 nan 8.210 nan 0.000 0.439 1456 A N 6.309 129.165 122.820 0.060 0.000 2.597 1456 A HA 0.781 5.101 4.320 -0.000 0.000 0.292 1456 A C -3.099 174.355 177.584 -0.216 0.000 1.057 1456 A CA -1.036 50.993 52.037 -0.013 0.000 0.674 1456 A CB 1.714 20.674 19.000 -0.067 0.000 1.278 1456 A HN 0.306 nan 8.150 nan 0.000 0.416 1457 P HA 0.449 nan 4.420 nan 0.000 0.271 1457 P C -0.853 176.218 177.300 -0.381 0.000 1.216 1457 P CA 0.152 62.821 63.100 -0.719 0.000 0.771 1457 P CB 0.929 32.148 31.700 -0.801 0.000 0.864 1458 M N 2.877 122.263 119.600 -0.358 0.000 2.324 1458 M HA 0.580 5.060 4.480 -0.000 0.000 0.288 1458 M C -0.333 175.804 176.300 -0.272 0.000 1.097 1458 M CA -0.400 54.738 55.300 -0.269 0.000 0.928 1458 M CB 1.819 34.274 32.600 -0.241 0.000 1.648 1458 M HN 0.444 nan 8.290 nan 0.000 0.460 1459 G N 1.264 109.955 108.800 -0.181 0.000 2.525 1459 G HA2 0.263 4.223 3.960 -0.000 0.000 0.287 1459 G HA3 0.263 4.223 3.960 -0.000 0.000 0.287 1459 G C -0.895 173.939 174.900 -0.110 0.000 1.350 1459 G CA -0.579 44.441 45.100 -0.133 0.000 1.039 1459 G HN 0.764 nan 8.290 nan 0.000 0.513 1460 D N -0.172 120.191 120.400 -0.062 0.000 2.793 1460 D HA -0.112 4.528 4.640 -0.000 0.000 0.230 1460 D C 1.750 178.024 176.300 -0.044 0.000 1.139 1460 D CA -0.227 53.750 54.000 -0.037 0.000 0.838 1460 D CB 0.248 41.037 40.800 -0.019 0.000 1.149 1460 D HN 0.047 nan 8.370 nan 0.000 0.526 1461 I N 3.706 124.250 120.570 -0.042 0.000 2.361 1461 I HA -0.224 3.946 4.170 -0.000 0.000 0.251 1461 I C 1.871 177.975 176.117 -0.021 0.000 1.133 1461 I CA 1.035 62.312 61.300 -0.038 0.000 1.413 1461 I CB -1.138 36.840 38.000 -0.036 0.000 1.073 1461 I HN 0.461 nan 8.210 nan 0.000 0.424 1462 N N 0.903 119.594 118.700 -0.014 0.000 2.336 1462 N HA 0.121 4.861 4.740 -0.000 0.000 0.189 1462 N C 0.652 176.157 175.510 -0.008 0.000 1.113 1462 N CA 0.156 53.201 53.050 -0.008 0.000 0.858 1462 N CB 0.227 38.712 38.487 -0.003 0.000 0.970 1462 N HN 0.277 nan 8.380 nan 0.000 0.471 1463 A N -0.455 122.358 122.820 -0.013 0.000 2.386 1463 A HA 0.237 4.557 4.320 -0.000 0.000 0.246 1463 A C 1.403 178.981 177.584 -0.010 0.000 1.089 1463 A CA 0.227 52.256 52.037 -0.012 0.000 0.790 1463 A CB 0.039 19.028 19.000 -0.018 0.000 1.042 1463 A HN 0.468 nan 8.150 nan 0.000 0.497 1464 S N -0.204 115.491 115.700 -0.009 0.000 2.515 1464 S HA 0.148 4.618 4.470 -0.000 0.000 0.231 1464 S C 0.545 175.141 174.600 -0.007 0.000 0.987 1464 S CA 0.987 59.183 58.200 -0.006 0.000 0.936 1464 S CB -0.985 62.212 63.200 -0.006 0.000 0.766 1464 S HN 0.843 nan 8.310 nan 0.000 0.528 1465 I N -3.331 117.232 120.570 -0.011 0.000 3.102 1465 I HA 0.449 4.619 4.170 -0.000 0.000 0.310 1465 I C -2.577 173.526 176.117 -0.023 0.000 1.246 1465 I CA -2.718 58.574 61.300 -0.013 0.000 0.979 1465 I CB 1.775 39.767 38.000 -0.012 0.000 1.267 1465 I HN -0.358 nan 8.210 nan 0.000 0.451 1466 P HA -0.022 nan 4.420 nan 0.000 0.245 1466 P C 0.995 178.258 177.300 -0.062 0.000 1.212 1466 P CA 0.918 63.991 63.100 -0.046 0.000 0.774 1466 P CB 0.075 31.749 31.700 -0.043 0.000 0.999 1467 T N -4.533 109.991 114.554 -0.050 0.000 3.051 1467 T HA 0.209 4.559 4.350 -0.000 0.000 0.255 1467 T C -1.565 173.105 174.700 -0.050 0.000 1.085 1467 T CA -0.446 61.620 62.100 -0.055 0.000 1.109 1467 T CB -1.856 66.986 68.868 -0.043 0.000 0.921 1467 T HN 0.123 nan 8.240 nan 0.000 0.488 1468 P HA 0.193 nan 4.420 nan 0.000 0.269 1468 P C 0.104 177.386 177.300 -0.030 0.000 1.215 1468 P CA -0.192 62.891 63.100 -0.029 0.000 0.780 1468 P CB 0.382 32.070 31.700 -0.021 0.000 0.898 1469 Q N 2.611 122.401 119.800 -0.017 0.000 2.417 1469 Q HA 0.205 4.545 4.340 -0.000 0.000 0.241 1469 Q C -1.890 174.117 176.000 0.011 0.000 1.008 1469 Q CA -1.224 54.577 55.803 -0.004 0.000 0.901 1469 Q CB -0.538 28.202 28.738 0.002 0.000 1.259 1469 Q HN 0.398 nan 8.270 nan 0.000 0.489 1470 P HA 0.201 nan 4.420 nan 0.000 0.285 1470 P C -0.829 176.514 177.300 0.072 0.000 1.259 1470 P CA -0.324 62.824 63.100 0.081 0.000 0.794 1470 P CB 0.894 32.679 31.700 0.141 0.000 0.940 1471 V N 5.216 125.146 119.914 0.027 0.000 2.350 1471 V HA 0.357 4.477 4.120 -0.000 0.000 0.276 1471 V C 0.180 176.265 176.094 -0.015 0.000 1.028 1471 V CA -0.151 62.102 62.300 -0.077 0.000 0.860 1471 V CB 0.157 31.902 31.823 -0.129 0.000 0.990 1471 V HN 0.865 nan 8.190 nan 0.000 0.453 1472 H N 1.986 120.973 119.070 -0.139 0.000 3.008 1472 H HA 0.635 5.191 4.556 -0.000 0.000 0.354 1472 H C -1.525 173.708 175.328 -0.159 0.000 1.252 1472 H CA -1.134 54.850 56.048 -0.105 0.000 1.117 1472 H CB 0.784 30.555 29.762 0.016 0.000 1.857 1472 H HN 0.371 nan 8.280 nan 0.000 0.547 1473 Y N 1.253 121.600 120.300 0.078 0.000 2.544 1473 Y HA 0.251 4.801 4.550 -0.000 0.000 0.330 1473 Y C 0.570 176.470 175.900 0.001 0.000 1.136 1473 Y CA 0.316 58.417 58.100 0.001 0.000 1.417 1473 Y CB 0.503 38.975 38.460 0.020 0.000 1.229 1473 Y HN 0.367 nan 8.280 nan 0.000 0.532 1474 R N 4.779 125.294 120.500 0.025 0.000 2.686 1474 R HA 0.391 4.731 4.340 -0.000 0.000 0.283 1474 R C -2.886 173.395 176.300 -0.031 0.000 0.978 1474 R CA -2.311 53.777 56.100 -0.020 0.000 0.897 1474 R CB 1.771 31.989 30.300 -0.136 0.000 1.192 1474 R HN 0.359 nan 8.270 nan 0.000 0.457 1475 P HA 0.033 nan 4.420 nan 0.000 0.268 1475 P C -0.575 176.635 177.300 -0.151 0.000 1.205 1475 P CA 0.097 63.158 63.100 -0.064 0.000 0.771 1475 P CB 0.773 32.440 31.700 -0.055 0.000 0.858 1476 M N 1.753 121.263 119.600 -0.149 0.000 2.799 1476 M HA 0.296 4.776 4.480 -0.000 0.000 0.274 1476 M C 1.679 177.818 176.300 -0.269 0.000 1.137 1476 M CA -0.864 54.282 55.300 -0.257 0.000 0.897 1476 M CB -0.577 31.959 32.600 -0.106 0.000 1.567 1476 M HN 0.192 nan 8.290 nan 0.000 0.536 1477 F N 0.581 120.514 119.950 -0.029 0.000 2.250 1477 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 1477 F C 2.245 178.025 175.800 -0.034 0.000 1.077 1477 F CA 1.424 59.404 58.000 -0.034 0.000 1.348 1477 F CB -0.899 38.079 39.000 -0.037 0.000 1.040 1477 F HN 0.745 nan 8.300 nan 0.000 0.509 1478 G N -0.634 108.238 108.800 0.121 0.000 2.559 1478 G HA2 0.007 3.967 3.960 -0.000 0.000 0.216 1478 G HA3 0.007 3.967 3.960 -0.000 0.000 0.216 1478 G C 1.506 176.422 174.900 0.025 0.000 1.126 1478 G CA 0.615 45.757 45.100 0.069 0.000 0.778 1478 G HN 0.428 nan 8.290 nan 0.000 0.543 1479 A N -0.307 122.511 122.820 -0.004 0.000 2.387 1479 A HA 0.600 4.920 4.320 -0.000 0.000 0.234 1479 A C 0.591 178.143 177.584 -0.054 0.000 1.253 1479 A CA -0.327 51.693 52.037 -0.028 0.000 0.894 1479 A CB 0.133 19.114 19.000 -0.031 0.000 0.963 1479 A HN 0.246 nan 8.150 nan 0.000 0.508 1480 L N -0.239 120.957 121.223 -0.044 0.000 2.289 1480 L HA 0.493 4.833 4.340 -0.000 0.000 0.285 1480 L C 1.640 178.449 176.870 -0.102 0.000 1.049 1480 L CA -0.176 54.630 54.840 -0.056 0.000 0.804 1480 L CB 1.112 43.167 42.059 -0.006 0.000 1.195 1480 L HN 0.512 nan 8.230 nan 0.000 0.428 1481 G N 2.403 111.115 108.800 -0.146 0.000 2.674 1481 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.375 1481 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.375 1481 G C 1.134 175.769 174.900 -0.442 0.000 1.175 1481 G CA 1.007 45.965 45.100 -0.237 0.000 0.925 1481 G HN 0.638 nan 8.290 nan 0.000 0.606 1482 S N 0.740 116.320 115.700 -0.199 0.000 2.399 1482 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 1482 S C 2.750 177.334 174.600 -0.027 0.000 1.022 1482 S CA 1.868 60.030 58.200 -0.063 0.000 0.983 1482 S CB -0.518 62.713 63.200 0.051 0.000 0.803 1482 S HN 1.196 nan 8.310 nan 0.000 0.480 1483 A N 2.017 124.812 122.820 -0.041 0.000 1.902 1483 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 1483 A C 2.075 179.673 177.584 0.023 0.000 1.181 1483 A CA 1.578 53.618 52.037 0.005 0.000 0.623 1483 A CB -0.560 18.453 19.000 0.021 0.000 0.818 1483 A HN 0.456 nan 8.150 nan 0.000 0.443 1484 R N -0.896 119.563 120.500 -0.067 0.000 2.083 1484 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 1484 R C 1.994 178.301 176.300 0.012 0.000 1.137 1484 R CA 2.018 58.083 56.100 -0.060 0.000 0.951 1484 R CB -0.549 29.664 30.300 -0.145 0.000 0.851 1484 R HN 0.781 nan 8.270 nan 0.000 0.434 1485 H N -2.192 116.902 119.070 0.040 0.000 2.387 1485 H HA -0.179 4.377 4.556 -0.000 0.000 0.299 1485 H C 1.960 177.306 175.328 0.030 0.000 1.099 1485 H CA 1.605 57.664 56.048 0.020 0.000 1.315 1485 H CB -0.097 29.675 29.762 0.018 0.000 1.380 1485 H HN 0.462 nan 8.280 nan 0.000 0.513 1486 H N -0.727 118.401 119.070 0.096 0.000 2.502 1486 H HA 0.012 4.568 4.556 -0.000 0.000 0.283 1486 H C 1.192 176.535 175.328 0.024 0.000 1.015 1486 H CA 1.025 57.101 56.048 0.047 0.000 1.298 1486 H CB 0.210 29.991 29.762 0.032 0.000 1.411 1486 H HN 0.296 nan 8.280 nan 0.000 0.556 1487 C N 1.827 121.210 119.300 0.138 0.000 2.855 1487 C HA 0.279 4.739 4.460 -0.000 0.000 0.279 1487 C C 0.626 175.633 174.990 0.028 0.000 1.270 1487 C CA -0.353 58.718 59.018 0.087 0.000 1.702 1487 C CB -1.414 26.389 27.740 0.106 0.000 1.949 1487 C HN 0.527 nan 8.230 nan 0.000 0.618 1488 R N 0.056 120.558 120.500 0.003 0.000 2.888 1488 R HA 0.841 5.181 4.340 -0.000 0.000 0.266 1488 R C -1.577 174.661 176.300 -0.102 0.000 1.020 1488 R CA -0.691 55.395 56.100 -0.024 0.000 0.963 1488 R CB 0.981 31.287 30.300 0.009 0.000 1.197 1488 R HN 0.095 nan 8.270 nan 0.000 0.481 1489 L N 0.810 121.926 121.223 -0.180 0.000 2.386 1489 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 1489 L C -0.706 175.906 176.870 -0.429 0.000 0.993 1489 L CA -0.901 53.720 54.840 -0.365 0.000 0.819 1489 L CB 2.744 44.435 42.059 -0.612 0.000 1.294 1489 L HN 0.743 nan 8.230 nan 0.000 0.414 1490 T N 2.522 116.860 114.554 -0.360 0.000 2.758 1490 T HA 0.509 4.859 4.350 -0.000 0.000 0.285 1490 T C -0.451 174.089 174.700 -0.266 0.000 0.981 1490 T CA -0.233 61.730 62.100 -0.229 0.000 0.965 1490 T CB 0.267 69.062 68.868 -0.120 0.000 0.927 1490 T HN 0.093 nan 8.240 nan 0.000 0.448 1491 F N 3.381 123.348 119.950 0.028 0.000 2.396 1491 F HA 0.531 5.058 4.527 -0.000 0.000 0.343 1491 F C 0.450 176.275 175.800 0.040 0.000 1.104 1491 F CA -0.759 57.267 58.000 0.043 0.000 1.161 1491 F CB 0.648 39.685 39.000 0.063 0.000 1.146 1491 F HN 0.189 nan 8.300 nan 0.000 0.522 1492 L N 1.718 123.073 121.223 0.220 0.000 2.309 1492 L HA 0.516 4.856 4.340 -0.000 0.000 0.261 1492 L C -0.120 176.829 176.870 0.132 0.000 1.021 1492 L CA -1.106 53.814 54.840 0.133 0.000 0.823 1492 L CB 2.352 44.453 42.059 0.070 0.000 1.366 1492 L HN 0.643 nan 8.230 nan 0.000 0.423 1493 S N -0.482 115.271 115.700 0.090 0.000 2.603 1493 S HA 0.164 4.634 4.470 -0.000 0.000 0.268 1493 S C 0.541 175.175 174.600 0.057 0.000 1.317 1493 S CA -0.526 57.717 58.200 0.071 0.000 1.012 1493 S CB 1.352 64.582 63.200 0.050 0.000 0.926 1493 S HN 0.691 nan 8.310 nan 0.000 0.539 1494 Q N 0.986 120.813 119.800 0.044 0.000 2.135 1494 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 1494 Q C 2.485 178.498 176.000 0.022 0.000 0.981 1494 Q CA 1.666 57.487 55.803 0.031 0.000 0.856 1494 Q CB -0.627 28.122 28.738 0.018 0.000 0.902 1494 Q HN 0.921 nan 8.270 nan 0.000 0.425 1495 A N 1.100 123.932 122.820 0.019 0.000 1.877 1495 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1495 A C 2.321 179.913 177.584 0.013 0.000 1.186 1495 A CA 1.632 53.676 52.037 0.013 0.000 0.620 1495 A CB -0.956 18.050 19.000 0.010 0.000 0.822 1495 A HN 0.406 nan 8.150 nan 0.000 0.443 1496 A N -0.114 122.717 122.820 0.018 0.000 1.883 1496 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 1496 A C 2.532 180.123 177.584 0.011 0.000 1.186 1496 A CA 2.325 54.370 52.037 0.014 0.000 0.624 1496 A CB -1.122 17.890 19.000 0.019 0.000 0.822 1496 A HN 1.120 nan 8.150 nan 0.000 0.444 1497 A N -0.171 122.660 122.820 0.018 0.000 1.908 1497 A HA 0.108 4.428 4.320 -0.000 0.000 0.218 1497 A C 2.521 180.109 177.584 0.008 0.000 1.181 1497 A CA 2.320 54.366 52.037 0.015 0.000 0.627 1497 A CB -1.061 17.956 19.000 0.027 0.000 0.818 1497 A HN 1.114 nan 8.150 nan 0.000 0.445 1498 A N 0.273 123.099 122.820 0.009 0.000 1.902 1498 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1498 A C 1.725 179.309 177.584 0.001 0.000 1.181 1498 A CA 1.568 53.607 52.037 0.005 0.000 0.623 1498 A CB -0.585 18.418 19.000 0.005 0.000 0.818 1498 A HN 0.567 nan 8.150 nan 0.000 0.443 1499 N N -0.283 118.418 118.700 0.001 0.000 2.571 1499 N HA 0.047 4.787 4.740 -0.000 0.000 0.189 1499 N C 1.064 176.571 175.510 -0.005 0.000 1.154 1499 N CA 1.058 54.107 53.050 -0.002 0.000 0.907 1499 N CB -0.125 38.361 38.487 -0.001 0.000 0.977 1499 N HN 0.699 nan 8.380 nan 0.000 0.449 1500 G N 0.443 109.239 108.800 -0.006 0.000 2.225 1500 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 1500 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 1500 G C 0.933 175.823 174.900 -0.017 0.000 1.060 1500 G CA 0.324 45.417 45.100 -0.011 0.000 0.833 1500 G HN 0.206 nan 8.290 nan 0.000 0.498 1501 V N 0.055 119.959 119.914 -0.016 0.000 2.343 1501 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 1501 V C 3.219 179.291 176.094 -0.036 0.000 1.051 1501 V CA 3.070 65.356 62.300 -0.024 0.000 1.036 1501 V CB -0.921 30.890 31.823 -0.019 0.000 0.654 1501 V HN 1.020 nan 8.190 nan 0.000 0.451 1502 A N 0.031 122.830 122.820 -0.035 0.000 1.908 1502 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 1502 A C 2.104 179.658 177.584 -0.051 0.000 1.181 1502 A CA 2.151 54.159 52.037 -0.048 0.000 0.627 1502 A CB -0.466 18.507 19.000 -0.046 0.000 0.818 1502 A HN 0.576 nan 8.150 nan 0.000 0.445 1503 E N -0.729 119.447 120.200 -0.040 0.000 2.107 1503 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 1503 E C 2.131 178.708 176.600 -0.038 0.000 0.982 1503 E CA 1.147 57.524 56.400 -0.037 0.000 0.809 1503 E CB -0.252 29.432 29.700 -0.027 0.000 0.756 1503 E HN 0.649 nan 8.360 nan 0.000 0.459 1504 R N 0.454 120.932 120.500 -0.036 0.000 2.066 1504 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 1504 R C 1.775 178.046 176.300 -0.049 0.000 1.131 1504 R CA 1.110 57.188 56.100 -0.037 0.000 0.955 1504 R CB -0.169 30.112 30.300 -0.032 0.000 0.851 1504 R HN 0.198 nan 8.270 nan 0.000 0.432 1505 L N 0.581 121.767 121.223 -0.061 0.000 2.554 1505 L HA 0.048 4.388 4.340 -0.000 0.000 0.226 1505 L C 0.495 177.316 176.870 -0.082 0.000 1.137 1505 L CA 0.179 54.971 54.840 -0.079 0.000 0.863 1505 L CB -0.308 41.695 42.059 -0.093 0.000 0.985 1505 L HN 0.427 nan 8.230 nan 0.000 0.451 1506 N N 1.335 119.991 118.700 -0.073 0.000 2.756 1506 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 1506 N C -0.247 175.200 175.510 -0.105 0.000 1.062 1506 N CA 0.030 53.034 53.050 -0.077 0.000 0.696 1506 N CB -0.740 37.707 38.487 -0.067 0.000 0.946 1506 N HN 0.267 nan 8.380 nan 0.000 0.548 1507 L N 1.036 122.193 121.223 -0.111 0.000 2.455 1507 L HA 0.051 4.391 4.340 -0.000 0.000 0.272 1507 L C 1.711 178.475 176.870 -0.176 0.000 1.174 1507 L CA 0.158 54.911 54.840 -0.145 0.000 0.869 1507 L CB 0.522 42.508 42.059 -0.121 0.000 1.130 1507 L HN 0.118 nan 8.230 nan 0.000 0.474 1508 R N 0.500 120.826 120.500 -0.290 0.000 2.290 1508 R HA 0.114 4.454 4.340 -0.000 0.000 0.197 1508 R C 0.513 176.641 176.300 -0.287 0.000 0.913 1508 R CA 0.000 55.892 56.100 -0.347 0.000 1.040 1508 R CB 0.165 30.116 30.300 -0.581 0.000 0.992 1508 R HN 0.521 nan 8.270 nan 0.000 0.500 1509 S N 0.520 116.072 115.700 -0.247 0.000 2.645 1509 S HA 0.538 5.008 4.470 -0.000 0.000 0.266 1509 S C 0.183 174.721 174.600 -0.104 0.000 1.258 1509 S CA -0.665 57.475 58.200 -0.099 0.000 0.990 1509 S CB 1.192 64.355 63.200 -0.062 0.000 0.967 1509 S HN 0.370 nan 8.310 nan 0.000 0.556 1510 A N 1.553 124.308 122.820 -0.109 0.000 2.462 1510 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 1510 A C -0.146 177.344 177.584 -0.156 0.000 1.076 1510 A CA -0.146 51.807 52.037 -0.139 0.000 0.773 1510 A CB -0.203 18.689 19.000 -0.179 0.000 1.010 1510 A HN 0.590 nan 8.150 nan 0.000 0.493 1511 I N 0.736 121.228 120.570 -0.130 0.000 2.460 1511 I HA 0.642 4.812 4.170 -0.000 0.000 0.298 1511 I C 0.513 176.565 176.117 -0.110 0.000 0.989 1511 I CA -0.168 61.058 61.300 -0.124 0.000 1.173 1511 I CB 1.267 39.227 38.000 -0.068 0.000 1.338 1511 I HN 0.760 nan 8.210 nan 0.000 0.456 1512 A N 5.542 128.292 122.820 -0.118 0.000 2.498 1512 A HA 0.825 5.145 4.320 -0.000 0.000 0.298 1512 A C -1.194 176.513 177.584 0.204 0.000 1.075 1512 A CA -0.512 51.536 52.037 0.019 0.000 0.714 1512 A CB 1.825 20.766 19.000 -0.099 0.000 1.299 1512 A HN 0.363 nan 8.150 nan 0.000 0.407 1513 V N 1.578 121.671 119.914 0.298 0.000 2.628 1513 V HA 0.571 4.691 4.120 -0.000 0.000 0.306 1513 V C 0.282 176.583 176.094 0.345 0.000 1.045 1513 V CA -0.566 61.895 62.300 0.267 0.000 0.905 1513 V CB 1.601 33.512 31.823 0.147 0.000 0.997 1513 V HN 1.100 nan 8.190 nan 0.000 0.436 1514 V N 2.522 122.586 119.914 0.250 0.000 2.686 1514 V HA 0.798 4.918 4.120 -0.000 0.000 0.295 1514 V C -0.358 175.775 176.094 0.065 0.000 1.057 1514 V CA -0.444 61.970 62.300 0.189 0.000 1.012 1514 V CB 1.013 32.902 31.823 0.111 0.000 1.006 1514 V HN 1.073 nan 8.190 nan 0.000 0.477 1515 K N 2.080 122.480 120.400 0.001 0.000 2.587 1515 K HA 0.680 5.000 4.320 -0.000 0.000 0.276 1515 K C 0.121 176.683 176.600 -0.063 0.000 0.956 1515 K CA -0.515 55.733 56.287 -0.066 0.000 0.857 1515 K CB 1.457 33.870 32.500 -0.147 0.000 1.431 1515 K HN 1.955 nan 8.250 nan 0.000 0.420 1516 G N 0.700 109.467 108.800 -0.055 0.000 2.132 1516 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.228 1516 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.228 1516 G C 0.606 175.477 174.900 -0.048 0.000 1.000 1516 G CA 0.140 45.211 45.100 -0.049 0.000 0.693 1516 G HN 0.666 nan 8.290 nan 0.000 0.515 1517 C N -0.144 119.126 119.300 -0.049 0.000 2.467 1517 C HA 0.108 4.568 4.460 -0.000 0.000 0.279 1517 C C 2.576 177.520 174.990 -0.076 0.000 1.347 1517 C CA 1.161 60.136 59.018 -0.072 0.000 1.748 1517 C CB -0.447 27.253 27.740 -0.067 0.000 1.977 1517 C HN 0.562 nan 8.230 nan 0.000 0.501 1518 R N 1.392 121.858 120.500 -0.057 0.000 2.200 1518 R HA -0.003 4.337 4.340 -0.000 0.000 0.208 1518 R C 1.882 178.154 176.300 -0.048 0.000 1.033 1518 R CA 1.499 57.567 56.100 -0.052 0.000 1.000 1518 R CB -1.652 28.623 30.300 -0.040 0.000 0.906 1518 R HN 0.715 nan 8.270 nan 0.000 0.462 1519 T N -2.440 112.086 114.554 -0.046 0.000 3.060 1519 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 1519 T C 0.945 175.618 174.700 -0.045 0.000 1.079 1519 T CA -0.262 61.814 62.100 -0.040 0.000 1.013 1519 T CB 0.074 68.921 68.868 -0.035 0.000 0.975 1519 T HN -0.068 nan 8.240 nan 0.000 0.518 1520 V N 2.981 122.861 119.914 -0.057 0.000 2.686 1520 V HA 0.448 4.568 4.120 -0.000 0.000 0.295 1520 V C -0.337 175.719 176.094 -0.064 0.000 1.055 1520 V CA -0.409 61.853 62.300 -0.063 0.000 1.050 1520 V CB 0.981 32.756 31.823 -0.081 0.000 0.984 1520 V HN 0.772 nan 8.190 nan 0.000 0.482 1521 Q N 3.950 123.716 119.800 -0.057 0.000 2.687 1521 Q HA 0.483 4.823 4.340 -0.000 0.000 0.305 1521 Q C 0.286 176.255 176.000 -0.051 0.000 1.006 1521 Q CA -0.976 54.797 55.803 -0.050 0.000 0.763 1521 Q CB 1.367 30.085 28.738 -0.033 0.000 1.506 1521 Q HN 0.387 nan 8.270 nan 0.000 0.459 1522 K N 0.749 121.124 120.400 -0.042 0.000 2.113 1522 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 1522 K C 1.772 178.354 176.600 -0.031 0.000 1.047 1522 K CA 2.391 58.654 56.287 -0.040 0.000 0.928 1522 K CB -0.876 31.608 32.500 -0.026 0.000 0.716 1522 K HN 0.673 nan 8.250 nan 0.000 0.446 1523 A N 0.470 123.276 122.820 -0.023 0.000 2.125 1523 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 1523 A C 1.246 178.816 177.584 -0.022 0.000 1.156 1523 A CA 1.801 53.830 52.037 -0.015 0.000 0.671 1523 A CB -0.345 18.649 19.000 -0.010 0.000 0.794 1523 A HN 0.385 nan 8.150 nan 0.000 0.459 1524 D N -0.646 119.732 120.400 -0.037 0.000 2.354 1524 D HA 0.050 4.690 4.640 -0.000 0.000 0.209 1524 D C 0.303 176.560 176.300 -0.072 0.000 1.015 1524 D CA 0.221 54.191 54.000 -0.050 0.000 0.867 1524 D CB -0.081 40.688 40.800 -0.053 0.000 0.933 1524 D HN 0.277 nan 8.370 nan 0.000 0.520 1525 M N 1.878 121.437 119.600 -0.069 0.000 2.292 1525 M HA 0.062 4.542 4.480 -0.000 0.000 0.342 1525 M C -0.014 176.229 176.300 -0.094 0.000 1.538 1525 M CA -0.201 55.048 55.300 -0.085 0.000 1.163 1525 M CB 0.623 33.181 32.600 -0.069 0.000 1.823 1525 M HN -0.318 nan 8.290 nan 0.000 0.462 1526 V N 6.573 126.385 119.914 -0.170 0.000 2.475 1526 V HA -0.102 4.018 4.120 -0.000 0.000 0.292 1526 V C 1.111 177.087 176.094 -0.197 0.000 1.003 1526 V CA 0.456 62.581 62.300 -0.291 0.000 1.120 1526 V CB -0.942 30.582 31.823 -0.497 0.000 0.937 1526 V HN 0.900 nan 8.190 nan 0.000 0.476 1527 H N 2.595 121.692 119.070 0.044 0.000 3.366 1527 H HA -0.158 4.398 4.556 -0.000 0.000 0.233 1527 H C 0.622 175.978 175.328 0.047 0.000 1.102 1527 H CA 1.376 57.475 56.048 0.085 0.000 1.184 1527 H CB -1.346 28.388 29.762 -0.046 0.000 1.216 1527 H HN 0.851 nan 8.280 nan 0.000 0.317 1528 N N 0.049 118.807 118.700 0.097 0.000 2.687 1528 N HA 0.136 4.875 4.740 -0.000 0.000 0.275 1528 N C 0.249 175.776 175.510 0.028 0.000 1.789 1528 N CA 0.680 53.760 53.050 0.050 0.000 0.806 1528 N CB 0.991 39.480 38.487 0.004 0.000 1.256 1528 N HN 0.301 nan 8.380 nan 0.000 0.500 1529 S N -0.706 115.023 115.700 0.048 0.000 2.593 1529 S HA 0.150 4.620 4.470 -0.000 0.000 0.236 1529 S C 0.468 175.084 174.600 0.026 0.000 0.991 1529 S CA -0.397 57.818 58.200 0.025 0.000 0.963 1529 S CB 0.238 63.453 63.200 0.026 0.000 0.865 1529 S HN 0.255 nan 8.310 nan 0.000 0.488 1530 L N 2.680 123.927 121.223 0.039 0.000 2.499 1530 L HA 0.296 4.636 4.340 -0.000 0.000 0.273 1530 L C -0.150 176.732 176.870 0.020 0.000 1.195 1530 L CA 0.996 55.857 54.840 0.034 0.000 0.882 1530 L CB 0.411 42.498 42.059 0.047 0.000 1.133 1530 L HN 0.313 nan 8.230 nan 0.000 0.483 1531 Q N 6.950 126.754 119.800 0.006 0.000 2.607 1531 Q HA 0.390 4.730 4.340 -0.000 0.000 0.247 1531 Q C -2.258 173.732 176.000 -0.016 0.000 1.033 1531 Q CA -1.701 54.094 55.803 -0.013 0.000 0.769 1531 Q CB 1.125 29.844 28.738 -0.032 0.000 1.169 1531 Q HN 0.546 nan 8.270 nan 0.000 0.508 1532 P HA 0.071 nan 4.420 nan 0.000 0.277 1532 P C -0.598 176.690 177.300 -0.019 0.000 1.240 1532 P CA -0.499 62.600 63.100 -0.001 0.000 0.798 1532 P CB 0.896 32.608 31.700 0.019 0.000 0.979 1533 N N 2.342 121.031 118.700 -0.018 0.000 2.739 1533 N HA 0.137 4.877 4.740 -0.000 0.000 0.266 1533 N C -0.571 174.933 175.510 -0.009 0.000 1.168 1533 N CA -0.223 52.812 53.050 -0.025 0.000 1.055 1533 N CB -1.012 37.463 38.487 -0.020 0.000 1.393 1533 N HN 0.418 nan 8.380 nan 0.000 0.514 1534 I N 2.189 122.757 120.570 -0.003 0.000 2.392 1534 I HA 0.464 4.634 4.170 -0.000 0.000 0.295 1534 I C -0.359 175.769 176.117 0.019 0.000 0.985 1534 I CA -0.332 60.977 61.300 0.015 0.000 1.221 1534 I CB 1.140 39.162 38.000 0.037 0.000 1.366 1534 I HN 0.474 nan 8.210 nan 0.000 0.467 1535 T N 3.928 118.493 114.554 0.019 0.000 2.906 1535 T HA 0.711 5.061 4.350 -0.000 0.000 0.295 1535 T C -0.913 173.802 174.700 0.025 0.000 1.075 1535 T CA -0.723 61.389 62.100 0.019 0.000 1.005 1535 T CB 1.876 70.750 68.868 0.010 0.000 1.136 1535 T HN 0.297 nan 8.240 nan 0.000 0.498 1536 V N 1.760 121.692 119.914 0.029 0.000 2.577 1536 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 1536 V C -0.497 175.626 176.094 0.048 0.000 1.042 1536 V CA -0.925 61.402 62.300 0.045 0.000 0.872 1536 V CB 1.753 33.606 31.823 0.050 0.000 0.998 1536 V HN 1.068 nan 8.190 nan 0.000 0.423 1537 D N 3.326 123.761 120.400 0.058 0.000 2.371 1537 D HA 0.265 4.905 4.640 -0.000 0.000 0.256 1537 D C 1.077 177.428 176.300 0.085 0.000 1.193 1537 D CA 0.434 54.458 54.000 0.039 0.000 0.881 1537 D CB 2.176 42.983 40.800 0.011 0.000 1.143 1537 D HN 0.659 nan 8.370 nan 0.000 0.473 1538 A N 4.200 127.048 122.820 0.047 0.000 1.978 1538 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 1538 A C 1.881 179.501 177.584 0.060 0.000 1.170 1538 A CA 1.596 53.679 52.037 0.077 0.000 0.636 1538 A CB -0.117 18.877 19.000 -0.009 0.000 0.810 1538 A HN 0.685 nan 8.150 nan 0.000 0.448 1539 Q N -1.100 118.653 119.800 -0.079 0.000 2.178 1539 Q HA -0.005 4.335 4.340 -0.000 0.000 0.195 1539 Q C 2.146 177.844 176.000 -0.503 0.000 0.960 1539 Q CA 1.571 57.237 55.803 -0.229 0.000 0.843 1539 Q CB -0.447 28.207 28.738 -0.141 0.000 0.927 1539 Q HN 0.723 nan 8.270 nan 0.000 0.487 1540 T N -3.072 111.293 114.554 -0.314 0.000 3.067 1540 T HA -0.046 4.304 4.350 -0.000 0.000 0.257 1540 T C -0.088 174.481 174.700 -0.218 0.000 1.105 1540 T CA 0.269 62.190 62.100 -0.298 0.000 1.104 1540 T CB -0.081 68.713 68.868 -0.122 0.000 0.925 1540 T HN 0.288 nan 8.240 nan 0.000 0.498 1541 Y N 0.582 120.870 120.300 -0.019 0.000 4.841 1541 Y HA -0.180 4.370 4.550 -0.000 0.000 0.242 1541 Y C 0.220 176.105 175.900 -0.026 0.000 1.002 1541 Y CA -0.296 57.791 58.100 -0.022 0.000 2.011 1541 Y CB -2.935 35.510 38.460 -0.025 0.000 1.554 1541 Y HN 0.517 nan 8.280 nan 0.000 0.618 1542 E N 0.485 120.742 120.200 0.095 0.000 2.376 1542 E HA 0.341 4.691 4.350 -0.000 0.000 0.266 1542 E C 0.024 176.648 176.600 0.039 0.000 1.009 1542 E CA -0.130 56.297 56.400 0.046 0.000 0.902 1542 E CB 1.162 30.872 29.700 0.016 0.000 0.972 1542 E HN 0.026 nan 8.360 nan 0.000 0.439 1543 V N 4.798 124.725 119.914 0.021 0.000 2.407 1543 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 1543 V C 0.165 176.264 176.094 0.008 0.000 1.037 1543 V CA -0.343 61.965 62.300 0.014 0.000 0.900 1543 V CB 1.000 32.822 31.823 -0.003 0.000 0.983 1543 V HN 0.605 nan 8.190 nan 0.000 0.459 1544 R N 3.120 123.627 120.500 0.011 0.000 2.628 1544 R HA 0.729 5.069 4.340 -0.000 0.000 0.288 1544 R C -1.682 174.622 176.300 0.008 0.000 0.980 1544 R CA -0.725 55.379 56.100 0.007 0.000 0.891 1544 R CB 2.613 32.916 30.300 0.006 0.000 1.188 1544 R HN 0.483 nan 8.270 nan 0.000 0.450 1545 V N 3.498 123.416 119.914 0.006 0.000 2.350 1545 V HA 0.165 4.285 4.120 -0.000 0.000 0.285 1545 V C -0.322 175.774 176.094 0.004 0.000 1.014 1545 V CA -0.501 61.803 62.300 0.006 0.000 0.831 1545 V CB 1.373 33.200 31.823 0.008 0.000 1.000 1545 V HN 0.874 nan 8.190 nan 0.000 0.433 1546 D N 4.445 124.845 120.400 0.001 0.000 2.800 1546 D HA -0.196 4.444 4.640 -0.000 0.000 0.232 1546 D C 1.340 177.640 176.300 0.000 0.000 1.137 1546 D CA 1.540 55.539 54.000 -0.001 0.000 0.718 1546 D CB -1.103 39.697 40.800 0.000 0.000 1.084 1546 D HN 1.323 nan 8.370 nan 0.000 0.432 1547 G N 0.113 108.914 108.800 0.001 0.000 2.267 1547 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.257 1547 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.257 1547 G C 0.187 175.088 174.900 0.002 0.000 0.998 1547 G CA 0.925 46.025 45.100 0.001 0.000 0.620 1547 G HN 0.741 nan 8.290 nan 0.000 0.529 1548 E N 0.901 121.102 120.200 0.003 0.000 2.331 1548 E HA 0.560 4.910 4.350 -0.000 0.000 0.272 1548 E C 0.161 176.764 176.600 0.004 0.000 1.036 1548 E CA -1.013 55.389 56.400 0.004 0.000 0.864 1548 E CB 1.454 31.157 29.700 0.005 0.000 1.035 1548 E HN 0.413 nan 8.360 nan 0.000 0.408 1549 L N 4.306 125.531 121.223 0.005 0.000 2.367 1549 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 1549 L C -0.849 176.024 176.870 0.005 0.000 1.129 1549 L CA -0.162 54.681 54.840 0.005 0.000 0.839 1549 L CB 0.618 42.680 42.059 0.005 0.000 1.133 1549 L HN 0.586 nan 8.230 nan 0.000 0.453 1550 I N 5.301 125.871 120.570 0.000 0.000 2.330 1550 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 1550 I C 0.248 176.360 176.117 -0.009 0.000 1.001 1550 I CA -0.052 61.245 61.300 -0.004 0.000 1.193 1550 I CB 0.603 38.594 38.000 -0.014 0.000 1.345 1550 I HN 0.694 nan 8.210 nan 0.000 0.461 1551 T N 4.163 118.719 114.554 0.003 0.000 2.731 1551 T HA 0.771 5.121 4.350 -0.000 0.000 0.300 1551 T C -1.039 173.686 174.700 0.040 0.000 1.283 1551 T CA -0.278 61.828 62.100 0.011 0.000 1.005 1551 T CB 1.645 70.526 68.868 0.021 0.000 1.420 1551 T HN 0.751 nan 8.240 nan 0.000 0.503 1552 S N 0.734 116.484 115.700 0.084 0.000 2.611 1552 S HA 0.708 5.178 4.470 -0.000 0.000 0.268 1552 S C -1.842 172.879 174.600 0.201 0.000 1.156 1552 S CA -1.016 57.258 58.200 0.122 0.000 0.817 1552 S CB 1.729 65.005 63.200 0.127 0.000 1.122 1552 S HN 0.626 nan 8.310 nan 0.000 0.466 1553 E N 1.829 122.106 120.200 0.128 0.000 2.231 1553 E HA 0.513 4.863 4.350 -0.000 0.000 0.277 1553 E C -2.583 173.963 176.600 -0.091 0.000 0.999 1553 E CA -2.227 54.205 56.400 0.053 0.000 0.827 1553 E CB 1.351 31.055 29.700 0.008 0.000 1.101 1553 E HN 0.491 nan 8.360 nan 0.000 0.393 1554 P HA 0.152 nan 4.420 nan 0.000 0.281 1554 P C -0.839 176.282 177.300 -0.297 0.000 1.252 1554 P CA -0.284 62.382 63.100 -0.724 0.000 0.778 1554 P CB 0.886 31.962 31.700 -1.039 0.000 0.895 1555 A N 3.349 126.052 122.820 -0.195 0.000 2.388 1555 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 1555 A C 1.251 178.789 177.584 -0.077 0.000 1.095 1555 A CA -0.334 51.656 52.037 -0.079 0.000 0.791 1555 A CB 0.065 19.059 19.000 -0.010 0.000 1.029 1555 A HN 0.662 nan 8.150 nan 0.000 0.489 1556 D N 0.661 121.037 120.400 -0.041 0.000 2.324 1556 D HA 0.085 4.725 4.640 -0.000 0.000 0.212 1556 D C 0.126 176.421 176.300 -0.009 0.000 0.984 1556 D CA 0.616 54.597 54.000 -0.031 0.000 0.885 1556 D CB 0.000 40.786 40.800 -0.024 0.000 0.996 1556 D HN 0.208 nan 8.370 nan 0.000 0.505 1557 V N 0.691 120.609 119.914 0.007 0.000 2.888 1557 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 1557 V C -0.703 175.409 176.094 0.029 0.000 1.114 1557 V CA -0.884 61.426 62.300 0.017 0.000 0.940 1557 V CB 2.731 34.564 31.823 0.016 0.000 1.021 1557 V HN 0.061 nan 8.190 nan 0.000 0.426 1558 L N 4.791 126.027 121.223 0.022 0.000 2.354 1558 L HA 0.665 5.005 4.340 -0.000 0.000 0.264 1558 L C -2.329 174.520 176.870 -0.034 0.000 1.008 1558 L CA -1.656 53.187 54.840 0.005 0.000 0.819 1558 L CB 3.084 45.157 42.059 0.024 0.000 1.339 1558 L HN 0.468 nan 8.230 nan 0.000 0.420 1559 P HA 0.256 nan 4.420 nan 0.000 0.277 1559 P C -0.196 177.105 177.300 0.002 0.000 1.271 1559 P CA -0.401 62.623 63.100 -0.127 0.000 0.795 1559 P CB 0.833 32.310 31.700 -0.371 0.000 1.101 1560 M N -2.561 117.105 119.600 0.109 0.000 2.461 1560 M HA -0.256 4.224 4.480 -0.000 0.000 0.203 1560 M C 0.310 176.772 176.300 0.270 0.000 0.428 1560 M CA 0.835 56.187 55.300 0.087 0.000 0.509 1560 M CB -2.146 30.432 32.600 -0.037 0.000 1.851 1560 M HN 0.586 nan 8.290 nan 0.000 0.834 1561 A N -0.306 122.717 122.820 0.338 0.000 2.751 1561 A HA 0.312 4.632 4.320 -0.000 0.000 0.201 1561 A C 1.037 178.854 177.584 0.389 0.000 1.619 1561 A CA 0.254 52.502 52.037 0.352 0.000 1.607 1561 A CB 0.024 19.127 19.000 0.171 0.000 1.580 1561 A HN 0.449 nan 8.150 nan 0.000 0.499 1562 Q N -0.232 119.693 119.800 0.207 0.000 2.368 1562 Q HA -0.107 4.233 4.340 -0.000 0.000 0.210 1562 Q C 1.906 177.932 176.000 0.044 0.000 0.982 1562 Q CA 1.182 57.067 55.803 0.136 0.000 0.884 1562 Q CB -0.093 28.685 28.738 0.066 0.000 0.933 1562 Q HN 0.509 nan 8.270 nan 0.000 0.460 1563 R N -0.692 119.787 120.500 -0.034 0.000 2.240 1563 R HA -0.078 4.262 4.340 -0.000 0.000 0.203 1563 R C 0.715 176.754 176.300 -0.435 0.000 1.011 1563 R CA 0.856 56.779 56.100 -0.294 0.000 1.007 1563 R CB 0.346 30.338 30.300 -0.513 0.000 0.911 1563 R HN 0.305 nan 8.270 nan 0.000 0.468 1564 Y N -2.155 118.066 120.300 -0.130 0.000 2.535 1564 Y HA 0.233 4.783 4.550 -0.000 0.000 0.264 1564 Y C -0.032 175.600 175.900 -0.447 0.000 1.087 1564 Y CA -0.401 57.516 58.100 -0.305 0.000 1.285 1564 Y CB 0.534 38.684 38.460 -0.517 0.000 1.200 1564 Y HN -0.177 nan 8.280 nan 0.000 0.514 1565 F N 0.087 120.158 119.950 0.202 0.000 2.421 1565 F HA 0.270 4.797 4.527 -0.000 0.000 0.337 1565 F C 0.832 176.657 175.800 0.041 0.000 1.105 1565 F CA -0.843 57.239 58.000 0.137 0.000 1.049 1565 F CB 1.448 40.529 39.000 0.136 0.000 1.139 1565 F HN -0.195 nan 8.300 nan 0.000 0.479 1566 L N 2.431 123.767 121.223 0.189 0.000 2.201 1566 L HA 0.137 4.476 4.340 -0.000 0.000 0.212 1566 L C -0.486 176.170 176.870 -0.358 0.000 1.105 1566 L CA 1.807 56.587 54.840 -0.100 0.000 0.775 1566 L CB -0.380 41.625 42.059 -0.090 0.000 0.913 1566 L HN 0.455 nan 8.230 nan 0.000 0.440 1567 F N 0.000 120.041 119.950 0.152 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.052 58.000 0.086 0.000 1.383 1567 F CB 0.000 39.031 39.000 0.051 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574