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 1ejt_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 GVIGLXIQED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVCHH LDPDIAEDVA 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 0.000 174.616 174.600 0.027 0.000 1.055 1002 S CA 0.000 58.218 58.200 0.031 0.000 1.107 1002 S CB 0.000 63.226 63.200 0.043 0.000 0.593 1003 N N 1.542 120.257 118.700 0.025 0.000 2.405 1003 N HA 0.710 5.449 4.740 -0.000 0.000 0.285 1003 N C -1.541 173.989 175.510 0.033 0.000 1.262 1003 N CA -0.603 52.456 53.050 0.014 0.000 0.773 1003 N CB 2.269 40.757 38.487 0.000 0.000 1.490 1003 N HN 0.678 nan 8.380 nan 0.000 0.486 1004 I N 0.462 121.049 120.570 0.029 0.000 2.775 1004 I HA 0.176 4.346 4.170 -0.000 0.000 0.295 1004 I C -0.264 175.879 176.117 0.044 0.000 1.287 1004 I CA -0.452 60.889 61.300 0.069 0.000 1.029 1004 I CB 1.934 40.030 38.000 0.159 0.000 1.282 1004 I HN 0.647 nan 8.210 nan 0.000 0.426 1005 S N 5.973 121.705 115.700 0.052 0.000 2.579 1005 S HA 0.311 4.781 4.470 -0.000 0.000 0.275 1005 S C 0.974 175.613 174.600 0.064 0.000 1.345 1005 S CA -0.349 57.872 58.200 0.035 0.000 1.031 1005 S CB 1.432 64.652 63.200 0.033 0.000 0.892 1005 S HN 0.819 nan 8.310 nan 0.000 0.529 1006 R N 0.537 121.051 120.500 0.024 0.000 2.120 1006 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 1006 R C 2.344 178.716 176.300 0.120 0.000 1.123 1006 R CA 1.501 57.627 56.100 0.043 0.000 0.975 1006 R CB -0.373 29.917 30.300 -0.017 0.000 0.866 1006 R HN 0.770 nan 8.270 nan 0.000 0.446 1007 Q N 0.819 120.669 119.800 0.084 0.000 2.046 1007 Q HA -0.042 4.298 4.340 -0.000 0.000 0.200 1007 Q C 1.931 177.985 176.000 0.090 0.000 0.975 1007 Q CA 1.994 57.845 55.803 0.081 0.000 0.836 1007 Q CB -0.255 28.512 28.738 0.049 0.000 0.896 1007 Q HN 0.286 nan 8.270 nan 0.000 0.428 1008 A N -0.610 122.262 122.820 0.088 0.000 1.902 1008 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 1008 A C 2.067 179.707 177.584 0.093 0.000 1.181 1008 A CA 1.496 53.573 52.037 0.066 0.000 0.623 1008 A CB -1.114 17.924 19.000 0.064 0.000 0.818 1008 A HN 0.616 nan 8.150 nan 0.000 0.443 1009 Y N 0.547 120.891 120.300 0.073 0.000 2.145 1009 Y HA -0.133 4.417 4.550 -0.000 0.000 0.286 1009 Y C 2.688 178.690 175.900 0.169 0.000 1.145 1009 Y CA 1.594 59.801 58.100 0.179 0.000 1.148 1009 Y CB -0.441 38.103 38.460 0.141 0.000 0.981 1009 Y HN 0.318 nan 8.280 nan 0.000 0.507 1010 A N 0.082 123.081 122.820 0.298 0.000 1.908 1010 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 1010 A C 1.852 179.465 177.584 0.049 0.000 1.181 1010 A CA 2.139 54.294 52.037 0.198 0.000 0.627 1010 A CB -0.859 18.244 19.000 0.171 0.000 0.818 1010 A HN 0.560 nan 8.150 nan 0.000 0.445 1011 D N -1.195 119.207 120.400 0.003 0.000 2.178 1011 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 1011 D C 1.897 178.098 176.300 -0.164 0.000 0.974 1011 D CA 1.128 55.096 54.000 -0.054 0.000 0.841 1011 D CB -0.195 40.579 40.800 -0.043 0.000 0.953 1011 D HN 0.504 nan 8.370 nan 0.000 0.478 1012 M N -1.353 118.060 119.600 -0.312 0.000 2.299 1012 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 1012 M C 0.639 176.429 176.300 -0.849 0.000 1.095 1012 M CA 1.153 56.044 55.300 -0.682 0.000 1.165 1012 M CB 0.318 32.293 32.600 -1.041 0.000 1.349 1012 M HN -0.097 nan 8.290 nan 0.000 0.446 1013 F N -0.217 119.566 119.950 -0.278 0.000 2.688 1013 F HA 0.472 4.999 4.527 -0.000 0.000 0.310 1013 F C 0.888 176.641 175.800 -0.078 0.000 1.098 1013 F CA 0.067 57.931 58.000 -0.226 0.000 1.228 1013 F CB 0.197 38.938 39.000 -0.432 0.000 1.042 1013 F HN 0.239 nan 8.300 nan 0.000 0.557 1014 G N 1.508 110.356 108.800 0.081 0.000 2.712 1014 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.683 1014 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.683 1014 G C -3.001 172.028 174.900 0.215 0.000 1.320 1014 G CA -1.333 43.845 45.100 0.130 0.000 0.847 1014 G HN -0.049 nan 8.290 nan 0.000 0.553 1015 P HA 0.440 nan 4.420 nan 0.000 0.272 1015 P C 0.079 177.531 177.300 0.254 0.000 1.230 1015 P CA 0.433 63.660 63.100 0.211 0.000 0.788 1015 P CB 1.625 33.408 31.700 0.138 0.000 0.949 1016 T N -0.457 114.236 114.554 0.232 0.000 2.773 1016 T HA 0.283 4.633 4.350 -0.000 0.000 0.278 1016 T C -0.463 174.315 174.700 0.130 0.000 1.011 1016 T CA -0.791 61.437 62.100 0.212 0.000 1.014 1016 T CB 0.642 69.641 68.868 0.219 0.000 1.293 1016 T HN 0.105 nan 8.240 nan 0.000 0.554 1017 V N 2.375 122.364 119.914 0.123 0.000 2.644 1017 V HA 0.297 4.417 4.120 -0.000 0.000 0.303 1017 V C 1.864 177.994 176.094 0.059 0.000 1.058 1017 V CA 1.778 64.130 62.300 0.086 0.000 1.228 1017 V CB -0.299 31.577 31.823 0.088 0.000 0.861 1017 V HN 1.340 nan 8.190 nan 0.000 0.484 1018 G N 3.711 112.541 108.800 0.050 0.000 2.254 1018 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.225 1018 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.225 1018 G C -0.050 174.872 174.900 0.037 0.000 1.003 1018 G CA 0.021 45.141 45.100 0.033 0.000 0.622 1018 G HN 0.666 nan 8.290 nan 0.000 0.507 1019 D N 1.485 121.919 120.400 0.057 0.000 2.341 1019 D HA 0.544 5.184 4.640 -0.000 0.000 0.245 1019 D C 0.575 176.927 176.300 0.086 0.000 1.106 1019 D CA 0.398 54.440 54.000 0.071 0.000 0.905 1019 D CB 1.014 41.870 40.800 0.094 0.000 1.202 1019 D HN 0.415 nan 8.370 nan 0.000 0.426 1020 K N 0.250 120.721 120.400 0.117 0.000 2.208 1020 K HA 0.680 5.000 4.320 -0.000 0.000 0.247 1020 K C -0.988 175.785 176.600 0.288 0.000 0.953 1020 K CA -0.969 55.439 56.287 0.201 0.000 0.837 1020 K CB 2.233 34.853 32.500 0.200 0.000 1.131 1020 K HN 0.084 nan 8.250 nan 0.000 0.431 1021 V N 1.696 121.758 119.914 0.247 0.000 2.686 1021 V HA 0.370 4.490 4.120 -0.000 0.000 0.306 1021 V C -0.521 175.424 176.094 -0.249 0.000 1.065 1021 V CA -1.007 61.315 62.300 0.036 0.000 0.894 1021 V CB 1.730 33.515 31.823 -0.063 0.000 1.004 1021 V HN 0.694 nan 8.190 nan 0.000 0.424 1022 R N 3.890 123.971 120.500 -0.699 0.000 2.340 1022 R HA 0.502 4.842 4.340 -0.000 0.000 0.300 1022 R C -0.934 174.991 176.300 -0.625 0.000 1.069 1022 R CA -0.549 54.876 56.100 -1.125 0.000 0.984 1022 R CB 0.638 30.097 30.300 -1.402 0.000 1.003 1022 R HN 0.717 nan 8.270 nan 0.000 0.459 1023 L N 6.165 127.041 121.223 -0.579 0.000 2.342 1023 L HA 0.220 4.560 4.340 -0.000 0.000 0.285 1023 L C 1.147 177.827 176.870 -0.317 0.000 1.095 1023 L CA 0.278 54.821 54.840 -0.495 0.000 0.843 1023 L CB 0.550 42.239 42.059 -0.617 0.000 1.201 1023 L HN 1.099 nan 8.230 nan 0.000 0.445 1024 A N 4.104 126.791 122.820 -0.221 0.000 5.584 1024 A HA -0.313 4.007 4.320 -0.000 0.000 0.303 1024 A C 0.789 178.285 177.584 -0.147 0.000 1.923 1024 A CA 1.385 53.335 52.037 -0.146 0.000 0.717 1024 A CB -1.070 17.831 19.000 -0.165 0.000 1.281 1024 A HN 0.955 nan 8.150 nan 0.000 0.379 1025 D N 0.137 120.498 120.400 -0.066 0.000 2.525 1025 D HA 0.345 4.985 4.640 -0.000 0.000 0.229 1025 D C 0.693 176.912 176.300 -0.135 0.000 1.202 1025 D CA 1.012 54.959 54.000 -0.089 0.000 0.828 1025 D CB -1.013 39.769 40.800 -0.029 0.000 1.008 1025 D HN 1.099 nan 8.370 nan 0.000 0.493 1026 T N -2.827 111.624 114.554 -0.170 0.000 2.852 1026 T HA 0.277 4.627 4.350 -0.000 0.000 0.281 1026 T C 0.766 175.468 174.700 0.003 0.000 0.993 1026 T CA -0.529 61.495 62.100 -0.128 0.000 0.933 1026 T CB 1.666 70.496 68.868 -0.062 0.000 1.187 1026 T HN -0.221 nan 8.240 nan 0.000 0.559 1027 E N 0.009 120.378 120.200 0.283 0.000 2.463 1027 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 1027 E C -0.075 176.611 176.600 0.142 0.000 1.041 1027 E CA -0.100 56.416 56.400 0.193 0.000 0.879 1027 E CB -0.145 29.669 29.700 0.189 0.000 0.997 1027 E HN 0.542 nan 8.360 nan 0.000 0.478 1028 L N 0.747 121.975 121.223 0.007 0.000 2.290 1028 L HA 0.248 4.588 4.340 -0.000 0.000 0.284 1028 L C -0.410 176.357 176.870 -0.171 0.000 1.078 1028 L CA -0.320 54.513 54.840 -0.011 0.000 0.815 1028 L CB 0.432 42.462 42.059 -0.048 0.000 1.162 1028 L HN -0.078 nan 8.230 nan 0.000 0.435 1029 W N 4.823 126.082 121.300 -0.069 0.000 2.702 1029 W HA 0.629 5.289 4.660 -0.000 0.000 0.331 1029 W C -0.201 176.262 176.519 -0.095 0.000 1.049 1029 W CA -0.496 56.798 57.345 -0.085 0.000 1.230 1029 W CB 1.539 30.970 29.460 -0.049 0.000 1.408 1029 W HN 0.239 nan 8.180 nan 0.000 0.492 1030 I N -0.403 120.218 120.570 0.085 0.000 2.562 1030 I HA 0.659 4.829 4.170 -0.000 0.000 0.301 1030 I C -0.588 175.567 176.117 0.063 0.000 1.003 1030 I CA -1.108 60.200 61.300 0.012 0.000 1.127 1030 I CB 2.204 40.128 38.000 -0.128 0.000 1.304 1030 I HN 0.408 nan 8.210 nan 0.000 0.446 1031 E N 4.267 124.494 120.200 0.046 0.000 2.210 1031 E HA 0.414 4.764 4.350 -0.000 0.000 0.266 1031 E C -1.288 175.333 176.600 0.035 0.000 0.883 1031 E CA -0.922 55.508 56.400 0.052 0.000 0.761 1031 E CB 2.335 32.063 29.700 0.047 0.000 1.156 1031 E HN 0.621 nan 8.360 nan 0.000 0.412 1032 V N 5.274 125.215 119.914 0.044 0.000 2.458 1032 V HA -0.060 4.060 4.120 -0.000 0.000 0.287 1032 V C 0.994 177.119 176.094 0.050 0.000 1.009 1032 V CA 0.755 63.083 62.300 0.047 0.000 1.091 1032 V CB 0.483 32.349 31.823 0.072 0.000 0.960 1032 V HN 0.835 nan 8.190 nan 0.000 0.476 1033 E N 2.396 122.624 120.200 0.046 0.000 2.170 1033 E HA 0.027 4.377 4.350 -0.000 0.000 0.191 1033 E C 0.311 176.949 176.600 0.064 0.000 0.981 1033 E CA 0.522 56.955 56.400 0.054 0.000 0.830 1033 E CB 0.364 30.098 29.700 0.058 0.000 0.775 1033 E HN 0.739 nan 8.360 nan 0.000 0.470 1034 D N -0.646 119.797 120.400 0.071 0.000 2.609 1034 D HA 0.175 4.815 4.640 -0.000 0.000 0.239 1034 D C -1.909 174.435 176.300 0.073 0.000 1.229 1034 D CA -0.508 53.535 54.000 0.071 0.000 0.808 1034 D CB 2.162 43.013 40.800 0.085 0.000 1.448 1034 D HN -0.205 nan 8.370 nan 0.000 0.433 1035 D N 1.915 122.344 120.400 0.048 0.000 2.686 1035 D HA 0.258 4.898 4.640 -0.000 0.000 0.249 1035 D C 0.460 176.745 176.300 -0.025 0.000 1.260 1035 D CA -0.361 53.659 54.000 0.033 0.000 0.910 1035 D CB 1.406 42.231 40.800 0.041 0.000 1.323 1035 D HN 0.291 nan 8.370 nan 0.000 0.561 1036 L N 2.073 123.298 121.223 0.002 0.000 2.612 1036 L HA 0.122 4.461 4.340 -0.000 0.000 0.230 1036 L C 1.453 178.287 176.870 -0.060 0.000 1.140 1036 L CA 0.166 54.995 54.840 -0.018 0.000 0.896 1036 L CB -0.075 41.999 42.059 0.026 0.000 1.065 1036 L HN 0.284 nan 8.230 nan 0.000 0.447 1037 T N -0.362 114.127 114.554 -0.110 0.000 2.824 1037 T HA 0.235 4.585 4.350 -0.000 0.000 0.277 1037 T C 0.199 174.740 174.700 -0.266 0.000 0.975 1037 T CA -0.018 61.996 62.100 -0.142 0.000 0.966 1037 T CB 1.227 70.034 68.868 -0.103 0.000 1.054 1037 T HN -0.018 nan 8.240 nan 0.000 0.533 1038 T N 2.900 117.333 114.554 -0.202 0.000 2.842 1038 T HA 0.358 4.708 4.350 -0.000 0.000 0.308 1038 T C -0.859 173.765 174.700 -0.126 0.000 1.041 1038 T CA -0.204 61.782 62.100 -0.190 0.000 0.964 1038 T CB -0.158 68.662 68.868 -0.080 0.000 0.972 1038 T HN 0.529 nan 8.240 nan 0.000 0.460 1039 Y N 2.075 122.357 120.300 -0.029 0.000 2.852 1039 Y HA 0.202 4.752 4.550 -0.000 0.000 0.343 1039 Y C 1.741 177.626 175.900 -0.024 0.000 1.280 1039 Y CA 0.937 59.017 58.100 -0.033 0.000 1.604 1039 Y CB 0.078 38.500 38.460 -0.063 0.000 1.216 1039 Y HN 1.040 nan 8.280 nan 0.000 0.541 1040 G N 2.141 111.017 108.800 0.126 0.000 2.238 1040 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.217 1040 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.217 1040 G C 0.567 175.477 174.900 0.016 0.000 0.996 1040 G CA -0.112 45.026 45.100 0.063 0.000 0.632 1040 G HN 0.540 nan 8.290 nan 0.000 0.503 1041 E N 1.081 121.278 120.200 -0.005 0.000 2.499 1041 E HA 0.235 4.585 4.350 -0.000 0.000 0.199 1041 E C 0.226 176.809 176.600 -0.028 0.000 1.016 1041 E CA 0.010 56.406 56.400 -0.008 0.000 0.933 1041 E CB 0.484 30.182 29.700 -0.002 0.000 1.050 1041 E HN 0.676 nan 8.360 nan 0.000 0.462 1042 E N 0.840 120.980 120.200 -0.100 0.000 2.413 1042 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 1042 E C 0.197 176.810 176.600 0.023 0.000 1.015 1042 E CA -0.113 56.224 56.400 -0.105 0.000 0.916 1042 E CB 0.824 30.282 29.700 -0.403 0.000 0.947 1042 E HN -0.083 nan 8.360 nan 0.000 0.440 1043 V N 0.069 120.029 119.914 0.075 0.000 2.439 1043 V HA 0.532 4.652 4.120 -0.000 0.000 0.282 1043 V C -0.026 176.172 176.094 0.173 0.000 1.039 1043 V CA -0.636 61.734 62.300 0.116 0.000 0.913 1043 V CB 1.124 33.005 31.823 0.097 0.000 0.983 1043 V HN 0.513 nan 8.190 nan 0.000 0.460 1044 K N 3.433 123.942 120.400 0.182 0.000 2.464 1044 K HA 0.583 4.903 4.320 -0.000 0.000 0.253 1044 K C -1.895 174.815 176.600 0.182 0.000 0.933 1044 K CA -0.671 55.727 56.287 0.186 0.000 0.801 1044 K CB 2.626 35.231 32.500 0.176 0.000 1.271 1044 K HN 0.744 nan 8.250 nan 0.000 0.430 1045 F N 1.516 121.490 119.950 0.040 0.000 2.450 1045 F HA 0.731 5.258 4.527 -0.000 0.000 0.332 1045 F C 0.118 175.925 175.800 0.011 0.000 1.093 1045 F CA 0.343 58.358 58.000 0.024 0.000 1.003 1045 F CB 1.796 40.807 39.000 0.020 0.000 1.151 1045 F HN 0.663 nan 8.300 nan 0.000 0.474 1046 G N 2.336 110.447 108.800 -1.149 0.000 2.368 1046 G HA2 0.360 4.320 3.960 -0.000 0.000 0.302 1046 G HA3 0.360 4.320 3.960 -0.000 0.000 0.302 1046 G C -0.845 173.725 174.900 -0.549 0.000 1.329 1046 G CA -0.491 44.121 45.100 -0.813 0.000 0.935 1046 G HN 1.055 nan 8.290 nan 0.000 0.590 1047 G N -0.786 107.815 108.800 -0.332 0.000 2.334 1047 G HA2 0.555 4.515 3.960 -0.000 0.000 0.261 1047 G HA3 0.555 4.515 3.960 -0.000 0.000 0.261 1047 G C 1.414 176.226 174.900 -0.147 0.000 1.257 1047 G CA 1.686 46.663 45.100 -0.205 0.000 0.935 1047 G HN 2.434 nan 8.290 nan 0.000 0.480 1048 G N 1.493 110.223 108.800 -0.116 0.000 2.160 1048 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.251 1048 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.251 1048 G C 0.742 175.605 174.900 -0.062 0.000 1.008 1048 G CA 0.752 45.809 45.100 -0.071 0.000 0.724 1048 G HN 0.712 nan 8.290 nan 0.000 0.514 1049 K N -0.844 119.502 120.400 -0.091 0.000 2.760 1049 K HA 0.655 4.975 4.320 -0.000 0.000 0.285 1049 K C 1.895 178.494 176.600 -0.001 0.000 1.016 1049 K CA -0.027 56.230 56.287 -0.050 0.000 1.087 1049 K CB -0.261 32.188 32.500 -0.086 0.000 1.427 1049 K HN 0.080 nan 8.250 nan 0.000 0.524 1050 V N 0.740 120.680 119.914 0.043 0.000 2.379 1050 V HA -0.015 4.105 4.120 -0.000 0.000 0.243 1050 V C 1.371 177.511 176.094 0.077 0.000 1.035 1050 V CA 0.944 63.283 62.300 0.065 0.000 1.035 1050 V CB -0.259 31.618 31.823 0.090 0.000 0.673 1050 V HN 0.446 nan 8.190 nan 0.000 0.457 1051 I N 2.617 123.258 120.570 0.119 0.000 2.472 1051 I HA 0.112 4.282 4.170 -0.000 0.000 0.305 1051 I C 0.369 176.576 176.117 0.151 0.000 1.196 1051 I CA 0.766 62.160 61.300 0.156 0.000 1.613 1051 I CB -0.789 37.358 38.000 0.245 0.000 1.501 1051 I HN 0.260 nan 8.210 nan 0.000 0.754 1052 R N 2.550 123.103 120.500 0.089 0.000 2.740 1052 R HA 0.257 4.597 4.340 -0.000 0.000 0.273 1052 R C -0.884 175.446 176.300 0.050 0.000 0.998 1052 R CA -1.191 54.950 56.100 0.068 0.000 0.900 1052 R CB 1.736 32.059 30.300 0.038 0.000 1.223 1052 R HN 0.251 nan 8.270 nan 0.000 0.466 1053 D N 0.319 120.744 120.400 0.041 0.000 2.586 1053 D HA 0.037 4.677 4.640 -0.000 0.000 0.234 1053 D C 1.227 177.542 176.300 0.024 0.000 1.132 1053 D CA 2.590 56.607 54.000 0.029 0.000 0.860 1053 D CB 0.416 41.230 40.800 0.023 0.000 1.159 1053 D HN 0.683 nan 8.370 nan 0.000 0.490 1054 G N 2.739 111.552 108.800 0.021 0.000 2.267 1054 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 1054 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 1054 G C 0.837 175.750 174.900 0.022 0.000 0.998 1054 G CA 0.945 46.056 45.100 0.019 0.000 0.620 1054 G HN 0.526 nan 8.290 nan 0.000 0.529 1055 M N -0.644 118.972 119.600 0.027 0.000 1.940 1055 M HA 0.462 4.942 4.480 -0.000 0.000 0.160 1055 M C 2.498 178.820 176.300 0.036 0.000 1.472 1055 M CA 1.044 56.362 55.300 0.030 0.000 1.335 1055 M CB -0.352 32.268 32.600 0.032 0.000 0.822 1055 M HN 0.132 nan 8.290 nan 0.000 0.567 1056 G N -0.040 108.788 108.800 0.046 0.000 2.776 1056 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.209 1056 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.209 1056 G C 0.364 175.293 174.900 0.049 0.000 1.145 1056 G CA 0.133 45.265 45.100 0.052 0.000 0.791 1056 G HN 0.466 nan 8.290 nan 0.000 0.530 1057 Q N 0.054 119.880 119.800 0.044 0.000 2.331 1057 Q HA 0.557 4.897 4.340 -0.000 0.000 0.267 1057 Q C 0.175 176.189 176.000 0.023 0.000 1.006 1057 Q CA -0.694 55.129 55.803 0.034 0.000 0.818 1057 Q CB 1.677 30.441 28.738 0.043 0.000 1.276 1057 Q HN 0.134 nan 8.270 nan 0.000 0.450 1058 G N 1.310 110.118 108.800 0.014 0.000 2.532 1058 G HA2 0.125 4.085 3.960 -0.000 0.000 0.291 1058 G HA3 0.125 4.085 3.960 -0.000 0.000 0.291 1058 G C 0.060 174.963 174.900 0.004 0.000 1.349 1058 G CA -0.212 44.894 45.100 0.009 0.000 1.038 1058 G HN 0.671 nan 8.290 nan 0.000 0.518 1059 Q N -0.063 119.739 119.800 0.003 0.000 2.220 1059 Q HA 0.093 4.433 4.340 -0.000 0.000 0.205 1059 Q C 1.024 177.021 176.000 -0.004 0.000 0.865 1059 Q CA -0.289 55.514 55.803 0.000 0.000 0.960 1059 Q CB 0.185 28.924 28.738 0.002 0.000 1.097 1059 Q HN 0.645 nan 8.270 nan 0.000 0.493 1060 M N -0.578 119.017 119.600 -0.008 0.000 2.240 1060 M HA 0.243 4.723 4.480 -0.000 0.000 0.333 1060 M C -0.019 176.270 176.300 -0.019 0.000 1.110 1060 M CA -0.008 55.285 55.300 -0.012 0.000 1.173 1060 M CB 0.248 32.839 32.600 -0.015 0.000 1.458 1060 M HN -0.092 nan 8.290 nan 0.000 0.458 1061 L N 2.373 123.584 121.223 -0.019 0.000 2.472 1061 L HA 0.248 4.588 4.340 -0.000 0.000 0.260 1061 L C 1.913 178.762 176.870 -0.034 0.000 1.209 1061 L CA -0.144 54.682 54.840 -0.022 0.000 0.817 1061 L CB 0.306 42.355 42.059 -0.016 0.000 1.106 1061 L HN 1.025 nan 8.230 nan 0.000 0.479 1062 A N 1.667 124.465 122.820 -0.037 0.000 1.927 1062 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 1062 A C 2.267 179.816 177.584 -0.059 0.000 1.185 1062 A CA 2.183 54.189 52.037 -0.050 0.000 0.639 1062 A CB -0.859 18.114 19.000 -0.044 0.000 0.820 1062 A HN 0.920 nan 8.150 nan 0.000 0.451 1063 A N -0.842 121.954 122.820 -0.041 0.000 2.070 1063 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 1063 A C 1.332 178.889 177.584 -0.045 0.000 1.159 1063 A CA 1.630 53.646 52.037 -0.034 0.000 0.656 1063 A CB -0.298 18.695 19.000 -0.012 0.000 0.800 1063 A HN 0.490 nan 8.150 nan 0.000 0.453 1064 D N -0.932 119.439 120.400 -0.048 0.000 2.388 1064 D HA 0.203 4.843 4.640 -0.000 0.000 0.221 1064 D C 0.238 176.484 176.300 -0.091 0.000 1.133 1064 D CA 0.600 54.573 54.000 -0.046 0.000 0.831 1064 D CB -0.098 40.692 40.800 -0.017 0.000 0.962 1064 D HN 0.612 nan 8.370 nan 0.000 0.502 1065 C N -1.333 117.879 119.300 -0.146 0.000 3.241 1065 C HA 0.754 5.214 4.460 -0.000 0.000 0.312 1065 C C 0.238 175.058 174.990 -0.282 0.000 1.350 1065 C CA -1.194 57.710 59.018 -0.190 0.000 1.415 1065 C CB 1.097 28.772 27.740 -0.109 0.000 1.770 1065 C HN 0.007 nan 8.230 nan 0.000 0.466 1066 V N 0.026 119.752 119.914 -0.314 0.000 2.953 1066 V HA 0.429 4.549 4.120 -0.000 0.000 0.304 1066 V C 0.555 176.552 176.094 -0.162 0.000 1.073 1066 V CA 0.437 62.551 62.300 -0.309 0.000 1.064 1066 V CB 0.745 32.406 31.823 -0.270 0.000 1.047 1066 V HN 0.911 nan 8.190 nan 0.000 0.478 1067 D N 0.891 121.218 120.400 -0.121 0.000 2.213 1067 D HA 0.158 4.798 4.640 -0.000 0.000 0.205 1067 D C 0.210 176.471 176.300 -0.065 0.000 0.961 1067 D CA 1.270 55.222 54.000 -0.079 0.000 0.853 1067 D CB 0.545 41.313 40.800 -0.054 0.000 0.967 1067 D HN 0.505 nan 8.370 nan 0.000 0.496 1068 L N 0.059 121.253 121.223 -0.049 0.000 2.445 1068 L HA 0.484 4.824 4.340 -0.000 0.000 0.262 1068 L C -1.704 175.159 176.870 -0.011 0.000 0.974 1068 L CA -0.831 53.989 54.840 -0.033 0.000 0.822 1068 L CB 2.608 44.659 42.059 -0.013 0.000 1.339 1068 L HN -0.278 nan 8.230 nan 0.000 0.409 1069 V N 5.601 125.509 119.914 -0.011 0.000 2.638 1069 V HA 0.610 4.730 4.120 -0.000 0.000 0.306 1069 V C -1.368 174.743 176.094 0.028 0.000 1.052 1069 V CA -0.462 61.850 62.300 0.020 0.000 0.885 1069 V CB 2.007 33.840 31.823 0.018 0.000 0.999 1069 V HN 0.713 nan 8.190 nan 0.000 0.424 1070 L N 6.560 127.817 121.223 0.056 0.000 2.264 1070 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 1070 L C 0.705 177.624 176.870 0.082 0.000 1.039 1070 L CA 0.097 54.975 54.840 0.065 0.000 0.829 1070 L CB 1.581 43.687 42.059 0.078 0.000 1.211 1070 L HN 0.848 nan 8.230 nan 0.000 0.427 1071 T N -0.226 114.377 114.554 0.082 0.000 2.869 1071 T HA 0.234 4.583 4.350 -0.000 0.000 0.295 1071 T C 0.615 175.386 174.700 0.118 0.000 0.987 1071 T CA -0.674 61.487 62.100 0.102 0.000 1.109 1071 T CB 0.423 69.359 68.868 0.114 0.000 0.932 1071 T HN 0.603 nan 8.240 nan 0.000 0.518 1072 N N 0.132 118.909 118.700 0.128 0.000 2.705 1072 N HA -0.159 4.581 4.740 -0.000 0.000 0.255 1072 N C -0.019 175.572 175.510 0.134 0.000 1.008 1072 N CA 0.848 53.985 53.050 0.145 0.000 0.742 1072 N CB -1.640 36.957 38.487 0.184 0.000 0.906 1072 N HN 1.115 nan 8.380 nan 0.000 0.541 1073 A N 0.143 123.038 122.820 0.125 0.000 2.327 1073 A HA 0.576 4.895 4.320 -0.000 0.000 0.283 1073 A C 0.398 178.053 177.584 0.119 0.000 1.127 1073 A CA -0.559 51.551 52.037 0.123 0.000 0.810 1073 A CB 0.852 19.927 19.000 0.125 0.000 1.066 1073 A HN 0.311 nan 8.150 nan 0.000 0.492 1074 L N 4.028 125.315 121.223 0.108 0.000 2.272 1074 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 1074 L C -0.546 176.360 176.870 0.060 0.000 1.045 1074 L CA -0.177 54.709 54.840 0.077 0.000 0.842 1074 L CB -0.142 41.952 42.059 0.058 0.000 1.224 1074 L HN 0.552 nan 8.230 nan 0.000 0.430 1075 I N 5.235 125.831 120.570 0.042 0.000 2.441 1075 I HA 0.243 4.413 4.170 -0.000 0.000 0.287 1075 I C -0.356 175.687 176.117 -0.123 0.000 1.049 1075 I CA -0.425 60.874 61.300 -0.002 0.000 1.381 1075 I CB 1.163 39.169 38.000 0.009 0.000 1.409 1075 I HN 0.233 nan 8.210 nan 0.000 0.523 1076 V N 5.696 125.548 119.914 -0.102 0.000 2.349 1076 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 1076 V C -0.612 175.382 176.094 -0.167 0.000 1.014 1076 V CA -0.320 61.890 62.300 -0.151 0.000 0.826 1076 V CB 1.462 33.224 31.823 -0.101 0.000 1.009 1076 V HN 0.690 nan 8.190 nan 0.000 0.431 1077 D N 0.806 120.962 120.400 -0.408 0.000 2.610 1077 D HA 0.314 4.954 4.640 -0.000 0.000 0.271 1077 D C 0.862 176.906 176.300 -0.426 0.000 1.174 1077 D CA -0.426 53.301 54.000 -0.454 0.000 0.949 1077 D CB 1.565 41.858 40.800 -0.844 0.000 1.430 1077 D HN 0.685 nan 8.370 nan 0.000 0.467 1078 H N -0.129 118.847 119.070 -0.158 0.000 2.457 1078 H HA -0.059 4.497 4.556 -0.000 0.000 0.297 1078 H C 1.411 176.845 175.328 0.178 0.000 1.092 1078 H CA 1.791 57.872 56.048 0.055 0.000 1.309 1078 H CB -0.300 29.507 29.762 0.074 0.000 1.382 1078 H HN 0.502 nan 8.280 nan 0.000 0.535 1079 W N 0.438 121.534 121.300 -0.341 0.000 3.077 1079 W HA 0.584 5.244 4.660 -0.000 0.000 0.266 1079 W C -0.103 176.419 176.519 0.004 0.000 1.300 1079 W CA 0.192 57.464 57.345 -0.121 0.000 1.586 1079 W CB 0.111 29.414 29.460 -0.261 0.000 1.103 1079 W HN 0.404 nan 8.180 nan 0.000 0.652 1080 G N 0.916 109.468 108.800 -0.414 0.000 2.325 1080 G HA2 0.385 4.345 3.960 -0.000 0.000 0.297 1080 G HA3 0.385 4.345 3.960 -0.000 0.000 0.297 1080 G C -2.034 172.597 174.900 -0.449 0.000 1.448 1080 G CA -1.088 43.857 45.100 -0.258 0.000 0.838 1080 G HN 0.049 nan 8.290 nan 0.000 0.579 1081 I N 1.537 121.991 120.570 -0.193 0.000 2.502 1081 I HA 0.458 4.628 4.170 -0.000 0.000 0.276 1081 I C 0.201 176.283 176.117 -0.058 0.000 1.057 1081 I CA -0.931 60.277 61.300 -0.154 0.000 1.163 1081 I CB 1.321 39.264 38.000 -0.095 0.000 1.288 1081 I HN 0.564 nan 8.210 nan 0.000 0.479 1082 V N 2.107 121.994 119.914 -0.044 0.000 3.001 1082 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 1082 V C -0.606 175.534 176.094 0.078 0.000 1.099 1082 V CA -1.042 61.294 62.300 0.059 0.000 0.989 1082 V CB 2.190 34.106 31.823 0.155 0.000 1.040 1082 V HN 0.506 nan 8.190 nan 0.000 0.434 1083 K N 1.988 122.447 120.400 0.098 0.000 2.211 1083 K HA 0.898 5.218 4.320 -0.000 0.000 0.275 1083 K C -0.440 176.229 176.600 0.114 0.000 1.024 1083 K CA 0.676 57.031 56.287 0.112 0.000 0.887 1083 K CB 0.834 33.413 32.500 0.132 0.000 1.084 1083 K HN 1.620 nan 8.250 nan 0.000 0.463 1084 A N 3.233 126.126 122.820 0.121 0.000 2.544 1084 A HA 0.418 4.738 4.320 -0.000 0.000 0.291 1084 A C -1.736 175.918 177.584 0.117 0.000 1.055 1084 A CA -0.959 51.147 52.037 0.114 0.000 0.651 1084 A CB 0.752 19.830 19.000 0.131 0.000 1.296 1084 A HN 0.654 nan 8.150 nan 0.000 0.431 1085 D N 0.459 120.921 120.400 0.104 0.000 2.225 1085 D HA 0.608 5.248 4.640 -0.000 0.000 0.249 1085 D C -0.540 175.830 176.300 0.116 0.000 1.052 1085 D CA 0.331 54.393 54.000 0.104 0.000 0.909 1085 D CB 1.394 42.248 40.800 0.090 0.000 1.186 1085 D HN 0.437 nan 8.370 nan 0.000 0.431 1086 I N 0.689 121.329 120.570 0.118 0.000 2.406 1086 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 1086 I C 0.645 176.838 176.117 0.126 0.000 0.999 1086 I CA -0.821 60.558 61.300 0.131 0.000 1.124 1086 I CB 2.124 40.206 38.000 0.136 0.000 1.289 1086 I HN 0.198 nan 8.210 nan 0.000 0.441 1087 G N 5.309 114.208 108.800 0.165 0.000 2.372 1087 G HA2 0.625 4.585 3.960 -0.000 0.000 0.323 1087 G HA3 0.625 4.585 3.960 -0.000 0.000 0.323 1087 G C -1.005 174.012 174.900 0.195 0.000 1.152 1087 G CA -0.362 44.843 45.100 0.174 0.000 0.906 1087 G HN 0.334 nan 8.290 nan 0.000 0.460 1088 V N 2.103 122.083 119.914 0.110 0.000 2.540 1088 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 1088 V C -0.098 176.023 176.094 0.046 0.000 1.035 1088 V CA -0.821 61.544 62.300 0.108 0.000 0.873 1088 V CB 1.803 33.673 31.823 0.077 0.000 0.992 1088 V HN 0.776 nan 8.190 nan 0.000 0.428 1089 K N 2.883 123.333 120.400 0.083 0.000 2.513 1089 K HA 0.374 4.694 4.320 -0.000 0.000 0.251 1089 K C -0.792 175.851 176.600 0.071 0.000 0.939 1089 K CA -0.499 55.798 56.287 0.016 0.000 0.793 1089 K CB 1.449 33.897 32.500 -0.086 0.000 1.241 1089 K HN 0.739 nan 8.250 nan 0.000 0.431 1090 D N 2.878 123.308 120.400 0.050 0.000 2.837 1090 D HA -0.183 4.457 4.640 -0.000 0.000 0.230 1090 D C 0.569 176.928 176.300 0.098 0.000 1.152 1090 D CA 1.761 55.809 54.000 0.080 0.000 0.736 1090 D CB -1.056 39.792 40.800 0.080 0.000 1.084 1090 D HN 1.110 nan 8.370 nan 0.000 0.429 1091 G N -0.418 108.437 108.800 0.091 0.000 2.162 1091 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 1091 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 1091 G C 0.354 175.303 174.900 0.081 0.000 0.976 1091 G CA 0.776 45.930 45.100 0.090 0.000 0.655 1091 G HN 0.538 nan 8.290 nan 0.000 0.533 1092 R N -0.924 119.633 120.500 0.094 0.000 2.888 1092 R HA 0.636 4.976 4.340 -0.000 0.000 0.266 1092 R C 0.090 176.469 176.300 0.131 0.000 1.020 1092 R CA -1.217 54.944 56.100 0.101 0.000 0.963 1092 R CB 1.365 31.720 30.300 0.093 0.000 1.197 1092 R HN 0.153 nan 8.270 nan 0.000 0.481 1093 I N 2.522 123.166 120.570 0.122 0.000 2.578 1093 I HA -0.077 4.093 4.170 -0.000 0.000 0.286 1093 I C 0.974 177.181 176.117 0.150 0.000 1.126 1093 I CA 0.324 61.705 61.300 0.136 0.000 1.380 1093 I CB 0.173 38.240 38.000 0.111 0.000 1.408 1093 I HN 0.603 nan 8.210 nan 0.000 0.532 1094 F N 7.004 126.976 119.950 0.036 0.000 2.179 1094 F HA 0.354 4.881 4.527 -0.000 0.000 0.292 1094 F C 1.047 176.857 175.800 0.018 0.000 1.089 1094 F CA 0.815 58.830 58.000 0.025 0.000 1.295 1094 F CB 0.310 39.324 39.000 0.024 0.000 1.041 1094 F HN 0.472 nan 8.300 nan 0.000 0.487 1095 A N -0.402 122.467 122.820 0.081 0.000 2.586 1095 A HA 0.593 4.913 4.320 -0.000 0.000 0.291 1095 A C -1.773 175.855 177.584 0.072 0.000 1.062 1095 A CA -0.567 51.450 52.037 -0.034 0.000 0.666 1095 A CB 0.394 19.339 19.000 -0.092 0.000 1.281 1095 A HN 0.084 nan 8.150 nan 0.000 0.421 1096 I N 1.116 121.702 120.570 0.028 0.000 2.439 1096 I HA 0.657 4.827 4.170 -0.000 0.000 0.283 1096 I C 0.698 176.847 176.117 0.053 0.000 1.023 1096 I CA 0.711 62.054 61.300 0.072 0.000 1.100 1096 I CB 1.816 39.863 38.000 0.078 0.000 1.238 1096 I HN 1.200 nan 8.210 nan 0.000 0.445 1097 G N 4.996 113.841 108.800 0.075 0.000 2.725 1097 G HA2 0.213 4.173 3.960 -0.000 0.000 0.098 1097 G HA3 0.213 4.173 3.960 -0.000 0.000 0.098 1097 G C -1.462 173.472 174.900 0.057 0.000 1.188 1097 G CA -0.465 44.668 45.100 0.055 0.000 1.237 1097 G HN 0.274 nan 8.290 nan 0.000 0.596 1098 K N 1.208 121.637 120.400 0.047 0.000 2.394 1098 K HA 0.718 5.038 4.320 -0.000 0.000 0.260 1098 K C -0.314 176.318 176.600 0.052 0.000 0.967 1098 K CA -0.236 56.075 56.287 0.039 0.000 0.855 1098 K CB 1.189 33.697 32.500 0.014 0.000 1.101 1098 K HN 0.763 nan 8.250 nan 0.000 0.433 1099 A N 2.445 125.300 122.820 0.057 0.000 2.279 1099 A HA 0.863 5.183 4.320 -0.000 0.000 0.303 1099 A C 0.347 177.959 177.584 0.047 0.000 1.108 1099 A CA 0.386 52.458 52.037 0.058 0.000 0.830 1099 A CB 0.900 19.938 19.000 0.063 0.000 1.106 1099 A HN 0.897 nan 8.150 nan 0.000 0.493 1100 G N 0.090 108.915 108.800 0.042 0.000 2.373 1100 G HA2 0.275 4.235 3.960 -0.000 0.000 0.250 1100 G HA3 0.275 4.235 3.960 -0.000 0.000 0.250 1100 G C -1.484 173.435 174.900 0.031 0.000 1.304 1100 G CA -0.222 44.901 45.100 0.038 0.000 0.948 1100 G HN 1.105 nan 8.290 nan 0.000 0.474 1101 N N 0.950 119.668 118.700 0.029 0.000 2.479 1101 N HA 0.617 5.357 4.740 -0.000 0.000 0.261 1101 N C -1.719 173.805 175.510 0.022 0.000 0.979 1101 N CA -2.294 50.770 53.050 0.024 0.000 0.930 1101 N CB 2.486 40.987 38.487 0.024 0.000 1.172 1101 N HN 0.023 nan 8.380 nan 0.000 0.499 1102 P HA -0.019 nan 4.420 nan 0.000 0.225 1102 P C 0.204 177.514 177.300 0.017 0.000 1.148 1102 P CA 0.797 63.909 63.100 0.020 0.000 0.779 1102 P CB 0.449 32.162 31.700 0.022 0.000 0.780 1103 D N -0.730 119.680 120.400 0.016 0.000 2.178 1103 D HA -0.085 4.555 4.640 -0.000 0.000 0.202 1103 D C 1.605 177.915 176.300 0.015 0.000 0.974 1103 D CA 1.168 55.177 54.000 0.015 0.000 0.841 1103 D CB -0.100 40.708 40.800 0.014 0.000 0.953 1103 D HN 0.355 nan 8.370 nan 0.000 0.478 1104 I N -3.902 116.678 120.570 0.017 0.000 4.557 1104 I HA 0.248 4.418 4.170 -0.000 0.000 0.333 1104 I C -0.102 176.025 176.117 0.018 0.000 1.332 1104 I CA -0.430 60.880 61.300 0.017 0.000 1.240 1104 I CB 0.397 38.408 38.000 0.019 0.000 1.312 1104 I HN -0.329 nan 8.210 nan 0.000 0.457 1105 Q N 3.541 123.352 119.800 0.019 0.000 2.306 1105 Q HA 0.562 4.902 4.340 -0.000 0.000 0.265 1105 Q C -2.589 173.419 176.000 0.015 0.000 1.022 1105 Q CA -1.981 53.833 55.803 0.018 0.000 0.853 1105 Q CB 2.348 31.099 28.738 0.021 0.000 1.327 1105 Q HN 0.090 nan 8.270 nan 0.000 0.449 1106 P HA 0.155 nan 4.420 nan 0.000 0.282 1106 P C -0.993 176.310 177.300 0.004 0.000 1.259 1106 P CA -0.233 62.871 63.100 0.007 0.000 0.826 1106 P CB 0.697 32.399 31.700 0.004 0.000 1.064 1107 N N -1.831 116.871 118.700 0.004 0.000 2.714 1107 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 1107 N C -0.369 175.148 175.510 0.012 0.000 1.117 1107 N CA 0.108 53.160 53.050 0.002 0.000 0.719 1107 N CB -1.685 36.796 38.487 -0.010 0.000 1.081 1107 N HN 0.159 nan 8.380 nan 0.000 0.557 1108 V N 1.033 120.959 119.914 0.020 0.000 2.479 1108 V HA 0.100 4.220 4.120 -0.000 0.000 0.281 1108 V C 1.704 177.826 176.094 0.046 0.000 1.031 1108 V CA 1.083 63.403 62.300 0.033 0.000 1.038 1108 V CB 1.082 32.925 31.823 0.034 0.000 0.981 1108 V HN 0.484 nan 8.190 nan 0.000 0.478 1109 T N 1.658 116.248 114.554 0.060 0.000 2.971 1109 T HA 0.378 4.728 4.350 -0.000 0.000 0.252 1109 T C 0.358 175.153 174.700 0.158 0.000 1.022 1109 T CA 0.184 62.334 62.100 0.083 0.000 0.980 1109 T CB 0.156 69.054 68.868 0.051 0.000 1.044 1109 T HN 0.352 nan 8.240 nan 0.000 0.501 1110 I N 4.022 124.675 120.570 0.138 0.000 2.464 1110 I HA 0.355 4.525 4.170 -0.000 0.000 0.277 1110 I C -2.679 173.482 176.117 0.073 0.000 1.040 1110 I CA -2.717 58.681 61.300 0.163 0.000 1.153 1110 I CB 1.898 39.987 38.000 0.150 0.000 1.274 1110 I HN -0.053 nan 8.210 nan 0.000 0.469 1111 P HA 0.228 nan 4.420 nan 0.000 0.276 1111 P C -0.530 176.750 177.300 -0.033 0.000 1.243 1111 P CA 0.157 63.257 63.100 0.001 0.000 0.768 1111 P CB 1.219 32.914 31.700 -0.008 0.000 0.856 1112 I N 2.757 123.320 120.570 -0.012 0.000 2.354 1112 I HA 0.537 4.707 4.170 -0.000 0.000 0.292 1112 I C 1.060 177.167 176.117 -0.017 0.000 0.989 1112 I CA -0.127 61.162 61.300 -0.018 0.000 1.188 1112 I CB 1.823 39.827 38.000 0.007 0.000 1.342 1112 I HN 0.430 nan 8.210 nan 0.000 0.457 1113 G N 2.916 111.698 108.800 -0.031 0.000 3.176 1113 G HA2 0.549 4.509 3.960 -0.000 0.000 0.272 1113 G HA3 0.549 4.509 3.960 -0.000 0.000 0.272 1113 G C 0.535 175.420 174.900 -0.025 0.000 1.349 1113 G CA 0.052 45.138 45.100 -0.024 0.000 0.953 1113 G HN 0.596 nan 8.290 nan 0.000 0.559 1114 A N -0.789 122.018 122.820 -0.022 0.000 1.972 1114 A HA 0.273 4.593 4.320 -0.000 0.000 0.219 1114 A C 2.309 179.871 177.584 -0.037 0.000 1.169 1114 A CA 2.474 54.498 52.037 -0.022 0.000 0.635 1114 A CB -0.602 18.388 19.000 -0.017 0.000 0.810 1114 A HN 1.506 nan 8.150 nan 0.000 0.446 1115 A N -0.687 122.105 122.820 -0.046 0.000 2.302 1115 A HA 0.356 4.676 4.320 -0.000 0.000 0.219 1115 A C 0.688 178.231 177.584 -0.069 0.000 1.243 1115 A CA 0.534 52.537 52.037 -0.057 0.000 0.856 1115 A CB -0.511 18.454 19.000 -0.058 0.000 0.893 1115 A HN 0.275 nan 8.150 nan 0.000 0.491 1116 T N 0.755 115.268 114.554 -0.068 0.000 2.767 1116 T HA 0.441 4.791 4.350 -0.000 0.000 0.284 1116 T C -0.346 174.296 174.700 -0.097 0.000 0.973 1116 T CA -0.357 61.696 62.100 -0.078 0.000 0.996 1116 T CB 1.577 70.405 68.868 -0.067 0.000 0.927 1116 T HN 0.440 nan 8.240 nan 0.000 0.456 1117 E N 2.303 122.441 120.200 -0.104 0.000 2.248 1117 E HA 0.539 4.889 4.350 -0.000 0.000 0.272 1117 E C -1.224 175.285 176.600 -0.152 0.000 1.008 1117 E CA -0.673 55.642 56.400 -0.141 0.000 0.856 1117 E CB 0.964 30.596 29.700 -0.114 0.000 1.120 1117 E HN 0.327 nan 8.360 nan 0.000 0.397 1118 V N 4.821 124.592 119.914 -0.238 0.000 2.604 1118 V HA 0.456 4.576 4.120 -0.000 0.000 0.305 1118 V C -0.229 175.768 176.094 -0.163 0.000 1.043 1118 V CA -0.677 61.497 62.300 -0.210 0.000 0.888 1118 V CB 1.550 33.180 31.823 -0.321 0.000 0.995 1118 V HN 0.674 nan 8.190 nan 0.000 0.429 1119 I N 3.588 124.119 120.570 -0.065 0.000 2.410 1119 I HA 0.563 4.733 4.170 -0.000 0.000 0.286 1119 I C 0.418 176.548 176.117 0.022 0.000 1.009 1119 I CA -0.636 60.651 61.300 -0.022 0.000 1.111 1119 I CB 1.823 39.821 38.000 -0.004 0.000 1.262 1119 I HN 0.717 nan 8.210 nan 0.000 0.443 1120 A N 5.034 127.880 122.820 0.044 0.000 2.395 1120 A HA 0.574 4.894 4.320 -0.000 0.000 0.286 1120 A C 0.790 178.416 177.584 0.070 0.000 1.193 1120 A CA -0.052 52.032 52.037 0.077 0.000 0.852 1120 A CB 0.357 19.416 19.000 0.098 0.000 1.118 1120 A HN 0.890 nan 8.150 nan 0.000 0.524 1121 A N 2.896 125.766 122.820 0.083 0.000 2.430 1121 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 1121 A C 0.688 178.331 177.584 0.098 0.000 1.254 1121 A CA -0.226 51.864 52.037 0.089 0.000 0.914 1121 A CB -0.116 18.942 19.000 0.097 0.000 0.998 1121 A HN 0.829 nan 8.150 nan 0.000 0.515 1122 E N 0.126 120.382 120.200 0.094 0.000 2.417 1122 E HA 0.283 4.633 4.350 -0.000 0.000 0.261 1122 E C 0.845 177.489 176.600 0.073 0.000 1.000 1122 E CA 0.561 57.016 56.400 0.092 0.000 0.919 1122 E CB 0.131 29.876 29.700 0.075 0.000 0.955 1122 E HN 0.940 nan 8.360 nan 0.000 0.455 1123 G N 2.805 111.655 108.800 0.083 0.000 2.179 1123 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.260 1123 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.260 1123 G C -0.009 174.946 174.900 0.092 0.000 0.977 1123 G CA 0.388 45.533 45.100 0.075 0.000 0.641 1123 G HN 0.484 nan 8.290 nan 0.000 0.533 1124 K N -0.181 120.284 120.400 0.108 0.000 2.221 1124 K HA 0.758 5.078 4.320 -0.000 0.000 0.243 1124 K C 0.047 176.738 176.600 0.153 0.000 0.968 1124 K CA -0.862 55.510 56.287 0.142 0.000 0.846 1124 K CB 1.937 34.520 32.500 0.138 0.000 1.141 1124 K HN 0.212 nan 8.250 nan 0.000 0.434 1125 I N 1.417 122.119 120.570 0.220 0.000 2.377 1125 I HA 0.267 4.437 4.170 -0.000 0.000 0.293 1125 I C -0.500 175.836 176.117 0.365 0.000 0.987 1125 I CA -1.108 60.327 61.300 0.226 0.000 1.185 1125 I CB 1.854 39.953 38.000 0.165 0.000 1.341 1125 I HN -0.003 nan 8.210 nan 0.000 0.455 1126 V N 4.862 124.944 119.914 0.281 0.000 2.448 1126 V HA 0.565 4.685 4.120 -0.000 0.000 0.295 1126 V C 0.137 176.418 176.094 0.310 0.000 1.025 1126 V CA -0.368 62.106 62.300 0.290 0.000 0.859 1126 V CB 1.905 33.841 31.823 0.189 0.000 0.988 1126 V HN 0.912 nan 8.190 nan 0.000 0.431 1127 T N 1.714 116.509 114.554 0.401 0.000 2.864 1127 T HA 0.882 5.232 4.350 -0.000 0.000 0.289 1127 T C -0.098 174.791 174.700 0.315 0.000 1.082 1127 T CA -0.414 61.914 62.100 0.381 0.000 1.009 1127 T CB 1.985 71.195 68.868 0.570 0.000 1.234 1127 T HN 0.955 nan 8.240 nan 0.000 0.526 1128 A N 0.215 123.206 122.820 0.284 0.000 2.332 1128 A HA 0.721 5.041 4.320 -0.000 0.000 0.258 1128 A C 0.931 178.682 177.584 0.278 0.000 1.087 1128 A CA -0.213 51.972 52.037 0.247 0.000 0.802 1128 A CB -0.514 18.622 19.000 0.226 0.000 1.042 1128 A HN 1.351 nan 8.150 nan 0.000 0.489 1129 G N -0.094 108.841 108.800 0.224 0.000 2.441 1129 G HA2 0.469 4.429 3.960 -0.000 0.000 0.243 1129 G HA3 0.469 4.429 3.960 -0.000 0.000 0.243 1129 G C 0.531 175.590 174.900 0.265 0.000 1.281 1129 G CA 0.236 45.468 45.100 0.219 0.000 0.854 1129 G HN 1.125 nan 8.290 nan 0.000 0.560 1130 G N -0.407 108.573 108.800 0.300 0.000 2.569 1130 G HA2 0.465 4.425 3.960 -0.000 0.000 0.249 1130 G HA3 0.465 4.425 3.960 -0.000 0.000 0.249 1130 G C -0.283 174.754 174.900 0.228 0.000 1.216 1130 G CA -0.594 44.719 45.100 0.354 0.000 0.845 1130 G HN 0.642 nan 8.290 nan 0.000 0.568 1131 I N 1.118 121.821 120.570 0.221 0.000 2.439 1131 I HA 0.171 4.341 4.170 -0.000 0.000 0.283 1131 I C -1.137 175.050 176.117 0.117 0.000 1.023 1131 I CA -0.705 60.683 61.300 0.146 0.000 1.100 1131 I CB 1.989 40.061 38.000 0.121 0.000 1.238 1131 I HN 0.298 nan 8.210 nan 0.000 0.445 1132 D N 4.615 125.059 120.400 0.072 0.000 2.317 1132 D HA 0.202 4.842 4.640 -0.000 0.000 0.234 1132 D C 0.886 177.191 176.300 0.009 0.000 1.112 1132 D CA -0.165 53.855 54.000 0.034 0.000 0.840 1132 D CB 1.572 42.363 40.800 -0.015 0.000 1.078 1132 D HN 0.617 nan 8.370 nan 0.000 0.486 1133 T N 0.226 114.804 114.554 0.039 0.000 3.145 1133 T HA 0.111 4.461 4.350 -0.000 0.000 0.255 1133 T C 0.605 175.312 174.700 0.012 0.000 1.039 1133 T CA -0.094 62.011 62.100 0.008 0.000 0.928 1133 T CB -0.402 68.519 68.868 0.089 0.000 1.029 1133 T HN 0.494 nan 8.240 nan 0.000 0.554 1134 H N 0.755 119.699 119.070 -0.210 0.000 2.439 1134 H HA 0.459 5.015 4.556 -0.000 0.000 0.230 1134 H C -0.916 174.235 175.328 -0.295 0.000 1.420 1134 H CA -0.975 54.805 56.048 -0.446 0.000 1.305 1134 H CB -0.074 29.245 29.762 -0.738 0.000 1.667 1134 H HN 0.172 nan 8.280 nan 0.000 0.515 1135 I N 2.520 123.001 120.570 -0.149 0.000 2.359 1135 I HA 0.138 4.308 4.170 -0.000 0.000 0.294 1135 I C 0.194 176.079 176.117 -0.387 0.000 0.987 1135 I CA -0.325 60.769 61.300 -0.344 0.000 1.225 1135 I CB 1.132 38.704 38.000 -0.714 0.000 1.366 1135 I HN 0.577 nan 8.210 nan 0.000 0.466 1136 H N 5.575 124.465 119.070 -0.300 0.000 2.597 1136 H HA 0.129 4.685 4.556 -0.000 0.000 0.303 1136 H C -0.738 174.493 175.328 -0.161 0.000 1.057 1136 H CA -0.351 55.615 56.048 -0.136 0.000 1.261 1136 H CB 0.694 30.441 29.762 -0.025 0.000 1.397 1136 H HN 0.563 nan 8.280 nan 0.000 0.461 1137 W N 5.342 126.717 121.300 0.126 0.000 1.371 1137 W HA 0.124 4.784 4.660 -0.000 0.000 0.482 1137 W C 1.004 177.575 176.519 0.087 0.000 0.640 1137 W CA -0.297 57.101 57.345 0.087 0.000 2.164 1137 W CB -0.313 29.179 29.460 0.055 0.000 1.613 1137 W HN 0.639 nan 8.180 nan 0.000 0.212 1138 I N 1.166 121.906 120.570 0.283 0.000 2.500 1138 I HA -0.082 4.088 4.170 -0.000 0.000 0.252 1138 I C 1.079 177.314 176.117 0.197 0.000 1.142 1138 I CA 0.632 62.063 61.300 0.219 0.000 1.451 1138 I CB -0.140 37.983 38.000 0.205 0.000 1.093 1138 I HN 0.232 nan 8.210 nan 0.000 0.430 1139 C N -2.262 117.171 119.300 0.221 0.000 3.171 1139 C HA 0.368 4.828 4.460 -0.000 0.000 0.336 1139 C C -1.963 173.165 174.990 0.229 0.000 1.198 1139 C CA -1.351 57.774 59.018 0.179 0.000 1.319 1139 C CB 1.251 29.064 27.740 0.122 0.000 1.682 1139 C HN -0.049 nan 8.230 nan 0.000 0.497 1140 P HA -0.076 nan 4.420 nan 0.000 0.223 1140 P C 1.062 178.453 177.300 0.153 0.000 1.151 1140 P CA 1.535 64.725 63.100 0.151 0.000 0.787 1140 P CB 0.241 31.976 31.700 0.058 0.000 0.788 1141 Q N 0.202 120.073 119.800 0.118 0.000 2.291 1141 Q HA -0.132 4.208 4.340 -0.000 0.000 0.206 1141 Q C 2.384 178.442 176.000 0.097 0.000 0.976 1141 Q CA 1.305 57.161 55.803 0.088 0.000 0.875 1141 Q CB -0.857 27.916 28.738 0.059 0.000 0.927 1141 Q HN 0.441 nan 8.270 nan 0.000 0.450 1142 Q N -0.415 119.465 119.800 0.134 0.000 2.181 1142 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 1142 Q C 2.029 178.102 176.000 0.120 0.000 0.980 1142 Q CA 1.254 57.118 55.803 0.101 0.000 0.862 1142 Q CB -0.253 28.536 28.738 0.085 0.000 0.905 1142 Q HN 0.494 nan 8.270 nan 0.000 0.429 1143 A N 1.200 124.151 122.820 0.218 0.000 1.883 1143 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 1143 A C 1.903 179.550 177.584 0.105 0.000 1.186 1143 A CA 1.752 53.913 52.037 0.207 0.000 0.624 1143 A CB -0.529 18.611 19.000 0.233 0.000 0.822 1143 A HN 0.437 nan 8.150 nan 0.000 0.444 1144 E N -0.796 119.451 120.200 0.077 0.000 2.106 1144 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 1144 E C 1.964 178.569 176.600 0.008 0.000 0.984 1144 E CA 1.235 57.659 56.400 0.040 0.000 0.806 1144 E CB -0.069 29.655 29.700 0.040 0.000 0.750 1144 E HN 0.595 nan 8.360 nan 0.000 0.458 1145 E N 0.325 120.531 120.200 0.011 0.000 2.051 1145 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 1145 E C 1.738 178.316 176.600 -0.037 0.000 0.991 1145 E CA 1.490 57.878 56.400 -0.020 0.000 0.799 1145 E CB -0.258 29.433 29.700 -0.014 0.000 0.748 1145 E HN 0.340 nan 8.360 nan 0.000 0.449 1146 A N 0.165 122.978 122.820 -0.013 0.000 1.898 1146 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 1146 A C 2.169 179.744 177.584 -0.014 0.000 1.181 1146 A CA 1.357 53.385 52.037 -0.015 0.000 0.620 1146 A CB -0.737 18.266 19.000 0.004 0.000 0.819 1146 A HN 0.356 nan 8.150 nan 0.000 0.442 1147 L N -0.048 121.174 121.223 -0.003 0.000 2.046 1147 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 1147 L C 2.390 179.213 176.870 -0.078 0.000 1.077 1147 L CA 1.805 56.638 54.840 -0.012 0.000 0.747 1147 L CB -0.453 41.612 42.059 0.010 0.000 0.896 1147 L HN 0.158 nan 8.230 nan 0.000 0.432 1148 V N -0.394 119.439 119.914 -0.135 0.000 2.490 1148 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 1148 V C 2.638 178.551 176.094 -0.301 0.000 1.061 1148 V CA 1.700 63.806 62.300 -0.324 0.000 1.064 1148 V CB -0.879 30.679 31.823 -0.441 0.000 0.670 1148 V HN 0.762 nan 8.190 nan 0.000 0.461 1149 S N -0.307 115.307 115.700 -0.143 0.000 2.489 1149 S HA 0.194 4.663 4.470 -0.000 0.000 0.228 1149 S C 1.593 176.218 174.600 0.041 0.000 0.995 1149 S CA 0.932 59.109 58.200 -0.038 0.000 0.934 1149 S CB 0.522 63.709 63.200 -0.021 0.000 0.771 1149 S HN 1.169 nan 8.310 nan 0.000 0.522 1150 G N -0.190 108.594 108.800 -0.026 0.000 2.159 1150 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.170 1150 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.170 1150 G C -0.177 174.777 174.900 0.090 0.000 1.007 1150 G CA -0.201 44.910 45.100 0.018 0.000 0.672 1150 G HN 0.582 nan 8.290 nan 0.000 0.507 1151 V N 2.122 122.068 119.914 0.054 0.000 2.383 1151 V HA 0.557 4.677 4.120 -0.000 0.000 0.275 1151 V C 1.456 177.600 176.094 0.084 0.000 1.036 1151 V CA 0.753 63.101 62.300 0.079 0.000 0.889 1151 V CB 1.297 33.145 31.823 0.042 0.000 0.985 1151 V HN 0.604 nan 8.190 nan 0.000 0.459 1152 T N -0.209 114.414 114.554 0.114 0.000 3.023 1152 T HA 0.149 4.499 4.350 -0.000 0.000 0.253 1152 T C 0.618 175.405 174.700 0.144 0.000 1.038 1152 T CA -0.020 62.149 62.100 0.114 0.000 0.962 1152 T CB 0.280 69.215 68.868 0.112 0.000 1.018 1152 T HN 0.529 nan 8.240 nan 0.000 0.521 1153 T N 2.362 117.010 114.554 0.158 0.000 2.881 1153 T HA 0.673 5.023 4.350 -0.000 0.000 0.290 1153 T C -1.032 173.765 174.700 0.163 0.000 1.000 1153 T CA -0.550 61.667 62.100 0.195 0.000 0.978 1153 T CB 1.694 70.690 68.868 0.213 0.000 0.997 1153 T HN 0.197 nan 8.240 nan 0.000 0.443 1154 M N 3.262 122.987 119.600 0.208 0.000 2.142 1154 M HA 0.520 5.000 4.480 -0.000 0.000 0.299 1154 M C -1.130 175.291 176.300 0.202 0.000 0.960 1154 M CA -0.824 54.570 55.300 0.157 0.000 0.920 1154 M CB 2.150 34.859 32.600 0.183 0.000 1.541 1154 M HN 0.237 nan 8.290 nan 0.000 0.429 1155 V N 2.588 122.535 119.914 0.055 0.000 2.459 1155 V HA 1.004 5.124 4.120 -0.000 0.000 0.295 1155 V C 0.271 176.345 176.094 -0.033 0.000 1.029 1155 V CA -0.196 62.126 62.300 0.036 0.000 0.874 1155 V CB 1.559 33.292 31.823 -0.151 0.000 0.985 1155 V HN 1.067 nan 8.190 nan 0.000 0.438 1156 G N 2.894 111.730 108.800 0.060 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 -0.640 174.345 174.900 0.141 0.000 1.258 1156 G CA 0.118 45.191 45.100 -0.045 0.000 0.868 1156 G HN 1.100 nan 8.290 nan 0.000 0.488 1157 G N -2.103 106.747 108.800 0.083 0.000 2.692 1157 G HA2 0.994 4.954 3.960 -0.000 0.000 0.291 1157 G HA3 0.994 4.954 3.960 -0.000 0.000 0.291 1157 G C -0.245 174.818 174.900 0.272 0.000 1.423 1157 G CA 0.322 45.575 45.100 0.256 0.000 0.843 1157 G HN 2.250 nan 8.290 nan 0.000 0.486 1158 G N -1.778 107.194 108.800 0.286 0.000 2.352 1158 G HA2 0.520 4.480 3.960 -0.000 0.000 0.302 1158 G HA3 0.520 4.480 3.960 -0.000 0.000 0.302 1158 G C 0.133 175.114 174.900 0.135 0.000 1.370 1158 G CA 0.911 46.145 45.100 0.223 0.000 0.918 1158 G HN 1.754 nan 8.290 nan 0.000 0.610 1159 T N -2.941 111.630 114.554 0.029 0.000 3.087 1159 T HA 0.644 4.994 4.350 -0.000 0.000 0.283 1159 T C 1.248 175.958 174.700 0.016 0.000 0.956 1159 T CA 1.248 63.312 62.100 -0.060 0.000 0.894 1159 T CB 0.581 69.177 68.868 -0.453 0.000 1.160 1159 T HN 2.710 nan 8.240 nan 0.000 0.532 1160 G N 2.373 111.208 108.800 0.059 0.000 2.293 1160 G HA2 0.196 4.156 3.960 -0.000 0.000 0.282 1160 G HA3 0.196 4.156 3.960 -0.000 0.000 0.282 1160 G C -2.966 171.942 174.900 0.013 0.000 1.299 1160 G CA -0.422 44.719 45.100 0.070 0.000 1.018 1160 G HN 0.034 nan 8.290 nan 0.000 0.478 1161 P HA 0.474 nan 4.420 nan 0.000 0.226 1161 P C 0.096 177.211 177.300 -0.309 0.000 1.783 1161 P CA 0.975 64.047 63.100 -0.045 0.000 0.980 1161 P CB 0.070 31.867 31.700 0.162 0.000 1.967 1162 A N 1.164 123.722 122.820 -0.437 0.000 2.311 1162 A HA 0.652 4.972 4.320 -0.000 0.000 0.334 1162 A C 1.602 178.908 177.584 -0.464 0.000 1.139 1162 A CA -0.168 51.677 52.037 -0.319 0.000 0.830 1162 A CB 1.033 19.947 19.000 -0.144 0.000 1.234 1162 A HN 0.221 nan 8.150 nan 0.000 0.483 1163 A N 1.280 123.982 122.820 -0.198 0.000 1.892 1163 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 1163 A C 2.195 179.803 177.584 0.040 0.000 1.188 1163 A CA 2.691 54.665 52.037 -0.106 0.000 0.631 1163 A CB -1.384 17.418 19.000 -0.330 0.000 0.822 1163 A HN 1.574 nan 8.150 nan 0.000 0.447 1164 G N -1.498 107.313 108.800 0.019 0.000 2.440 1164 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.218 1164 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.218 1164 G C 1.554 176.590 174.900 0.226 0.000 1.154 1164 G CA 1.679 46.869 45.100 0.150 0.000 0.767 1164 G HN 0.458 nan 8.290 nan 0.000 0.552 1165 T N 0.041 114.676 114.554 0.136 0.000 2.904 1165 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 1165 T C 2.097 176.969 174.700 0.286 0.000 1.059 1165 T CA 0.961 63.172 62.100 0.184 0.000 1.137 1165 T CB -0.266 68.651 68.868 0.081 0.000 0.879 1165 T HN 0.291 nan 8.240 nan 0.000 0.467 1166 H N 1.236 120.417 119.070 0.186 0.000 2.387 1166 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 1166 H C 2.370 177.664 175.328 -0.056 0.000 1.099 1166 H CA 1.333 57.419 56.048 0.064 0.000 1.315 1166 H CB -0.392 29.433 29.762 0.106 0.000 1.380 1166 H HN 0.432 nan 8.280 nan 0.000 0.513 1167 A N 0.059 122.994 122.820 0.191 0.000 2.063 1167 A HA 0.107 4.427 4.320 -0.000 0.000 0.211 1167 A C 1.284 179.079 177.584 0.353 0.000 1.177 1167 A CA 0.877 52.956 52.037 0.069 0.000 0.759 1167 A CB 0.117 19.149 19.000 0.054 0.000 0.857 1167 A HN 0.439 nan 8.150 nan 0.000 0.468 1168 T N -2.615 112.197 114.554 0.430 0.000 2.916 1168 T HA 0.463 4.813 4.350 -0.000 0.000 0.292 1168 T C -0.118 174.666 174.700 0.140 0.000 1.055 1168 T CA 0.223 62.574 62.100 0.418 0.000 1.009 1168 T CB 1.411 70.556 68.868 0.462 0.000 1.118 1168 T HN 0.249 nan 8.240 nan 0.000 0.497 1169 T N 0.109 114.616 114.554 -0.078 0.000 3.591 1169 T HA 0.467 4.817 4.350 -0.000 0.000 0.232 1169 T C 0.017 174.737 174.700 0.035 0.000 1.116 1169 T CA -0.687 61.281 62.100 -0.219 0.000 1.063 1169 T CB -1.788 66.945 68.868 -0.223 0.000 1.227 1169 T HN 0.692 nan 8.240 nan 0.000 0.685 1170 C N 1.643 121.014 119.300 0.119 0.000 2.441 1170 C HA 0.633 5.093 4.460 -0.000 0.000 0.318 1170 C C 0.548 175.590 174.990 0.087 0.000 1.222 1170 C CA -0.820 58.260 59.018 0.103 0.000 1.474 1170 C CB 1.261 29.060 27.740 0.100 0.000 2.125 1170 C HN 0.638 nan 8.230 nan 0.000 0.479 1171 T N 4.480 119.074 114.554 0.067 0.000 2.929 1171 T HA 0.296 4.646 4.350 -0.000 0.000 0.331 1171 T C -2.689 172.039 174.700 0.045 0.000 1.120 1171 T CA -0.756 61.384 62.100 0.067 0.000 0.973 1171 T CB 0.302 69.234 68.868 0.106 0.000 1.036 1171 T HN 0.421 nan 8.240 nan 0.000 0.502 1172 P HA 0.362 nan 4.420 nan 0.000 0.270 1172 P C 0.702 178.087 177.300 0.141 0.000 1.242 1172 P CA 0.729 63.830 63.100 0.001 0.000 0.768 1172 P CB 0.225 31.886 31.700 -0.065 0.000 0.820 1173 G N 5.412 114.259 108.800 0.078 0.000 2.819 1173 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.682 1173 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.682 1173 G C -2.013 172.970 174.900 0.139 0.000 1.481 1173 G CA -0.855 44.308 45.100 0.106 0.000 0.904 1173 G HN 0.254 nan 8.290 nan 0.000 0.563 1174 P HA -0.145 nan 4.420 nan 0.000 0.216 1174 P C 1.670 179.031 177.300 0.102 0.000 1.157 1174 P CA 2.235 65.387 63.100 0.086 0.000 0.880 1174 P CB -0.003 31.741 31.700 0.074 0.000 0.791 1175 W N -1.048 120.225 121.300 -0.045 0.000 2.354 1175 W HA -0.192 4.468 4.660 -0.000 0.000 0.315 1175 W C 2.330 178.776 176.519 -0.121 0.000 1.206 1175 W CA 1.504 58.776 57.345 -0.120 0.000 1.290 1175 W CB -1.182 28.148 29.460 -0.216 0.000 1.152 1175 W HN -0.063 nan 8.180 nan 0.000 0.489 1176 Y N -0.061 120.383 120.300 0.240 0.000 2.224 1176 Y HA -0.244 4.306 4.550 -0.000 0.000 0.289 1176 Y C 2.412 178.279 175.900 -0.055 0.000 1.146 1176 Y CA 1.712 59.861 58.100 0.083 0.000 1.182 1176 Y CB -0.530 38.036 38.460 0.177 0.000 0.983 1176 Y HN -0.107 nan 8.280 nan 0.000 0.524 1177 I N -0.994 119.654 120.570 0.131 0.000 2.163 1177 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 1177 I C 2.348 178.437 176.117 -0.046 0.000 1.085 1177 I CA 1.416 62.743 61.300 0.045 0.000 1.347 1177 I CB -0.455 37.574 38.000 0.047 0.000 1.044 1177 I HN 0.097 nan 8.210 nan 0.000 0.408 1178 S N 0.250 115.884 115.700 -0.110 0.000 2.356 1178 S HA -0.206 4.264 4.470 -0.000 0.000 0.223 1178 S C 2.082 176.534 174.600 -0.247 0.000 1.032 1178 S CA 1.308 59.400 58.200 -0.179 0.000 1.005 1178 S CB -0.274 62.789 63.200 -0.228 0.000 0.867 1178 S HN 0.267 nan 8.310 nan 0.000 0.449 1179 R N 0.958 121.236 120.500 -0.369 0.000 2.081 1179 R HA 0.111 4.451 4.340 -0.000 0.000 0.235 1179 R C 2.290 178.466 176.300 -0.206 0.000 1.131 1179 R CA 1.312 57.188 56.100 -0.373 0.000 0.960 1179 R CB -0.382 29.591 30.300 -0.545 0.000 0.856 1179 R HN 0.303 nan 8.270 nan 0.000 0.436 1180 M N -0.225 119.292 119.600 -0.139 0.000 2.229 1180 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 1180 M C 2.070 178.268 176.300 -0.171 0.000 1.063 1180 M CA 1.320 56.532 55.300 -0.148 0.000 1.114 1180 M CB -0.627 31.907 32.600 -0.110 0.000 1.387 1180 M HN 0.169 nan 8.290 nan 0.000 0.420 1181 L N -0.437 120.706 121.223 -0.133 0.000 2.093 1181 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 1181 L C 2.531 179.321 176.870 -0.133 0.000 1.085 1181 L CA 1.163 55.933 54.840 -0.117 0.000 0.755 1181 L CB -0.499 41.508 42.059 -0.087 0.000 0.904 1181 L HN 0.380 nan 8.230 nan 0.000 0.435 1182 Q N -0.404 119.309 119.800 -0.145 0.000 2.079 1182 Q HA -0.154 4.186 4.340 -0.000 0.000 0.200 1182 Q C 2.407 178.330 176.000 -0.129 0.000 0.974 1182 Q CA 1.468 57.187 55.803 -0.139 0.000 0.840 1182 Q CB -0.210 28.438 28.738 -0.149 0.000 0.898 1182 Q HN 0.541 nan 8.270 nan 0.000 0.430 1183 A N 1.123 123.856 122.820 -0.144 0.000 1.969 1183 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 1183 A C 2.297 179.790 177.584 -0.153 0.000 1.169 1183 A CA 1.327 53.281 52.037 -0.138 0.000 0.635 1183 A CB -0.647 18.259 19.000 -0.156 0.000 0.810 1183 A HN 0.383 nan 8.150 nan 0.000 0.445 1184 A N 0.188 122.896 122.820 -0.187 0.000 1.978 1184 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 1184 A C 1.662 179.192 177.584 -0.091 0.000 1.170 1184 A CA 1.882 53.809 52.037 -0.184 0.000 0.636 1184 A CB -0.586 18.311 19.000 -0.172 0.000 0.810 1184 A HN 0.448 nan 8.150 nan 0.000 0.448 1185 D N -0.116 120.242 120.400 -0.069 0.000 2.265 1185 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 1185 D C 1.849 178.232 176.300 0.138 0.000 0.977 1185 D CA 1.399 55.403 54.000 0.007 0.000 0.871 1185 D CB -0.124 40.604 40.800 -0.120 0.000 0.925 1185 D HN 0.427 nan 8.370 nan 0.000 0.485 1186 S N -0.429 115.300 115.700 0.048 0.000 2.528 1186 S HA 0.103 4.573 4.470 -0.000 0.000 0.219 1186 S C 0.992 175.598 174.600 0.010 0.000 0.985 1186 S CA -0.062 58.162 58.200 0.041 0.000 0.914 1186 S CB 0.541 63.746 63.200 0.007 0.000 0.776 1186 S HN 0.182 nan 8.310 nan 0.000 0.526 1187 L N 3.110 124.329 121.223 -0.006 0.000 2.307 1187 L HA 0.322 4.662 4.340 -0.000 0.000 0.282 1187 L C -1.832 175.056 176.870 0.030 0.000 1.051 1187 L CA -2.103 52.739 54.840 0.004 0.000 0.804 1187 L CB 0.858 42.899 42.059 -0.030 0.000 1.197 1187 L HN -0.126 nan 8.230 nan 0.000 0.431 1188 P HA 0.007 nan 4.420 nan 0.000 0.259 1188 P C -0.410 176.927 177.300 0.062 0.000 1.480 1188 P CA 0.322 63.447 63.100 0.042 0.000 0.842 1188 P CB -0.106 31.613 31.700 0.031 0.000 1.513 1189 V N -3.739 116.225 119.914 0.083 0.000 3.040 1189 V HA 0.539 4.659 4.120 -0.000 0.000 0.312 1189 V C -0.311 175.851 176.094 0.112 0.000 1.115 1189 V CA -1.428 60.939 62.300 0.112 0.000 0.998 1189 V CB 1.809 33.730 31.823 0.163 0.000 1.042 1189 V HN -0.184 nan 8.190 nan 0.000 0.433 1190 N N 1.964 120.742 118.700 0.131 0.000 2.513 1190 N HA 0.551 5.291 4.740 -0.000 0.000 0.268 1190 N C -0.738 174.915 175.510 0.238 0.000 1.180 1190 N CA 0.184 53.308 53.050 0.123 0.000 0.948 1190 N CB 1.295 39.903 38.487 0.202 0.000 1.083 1190 N HN 0.722 nan 8.380 nan 0.000 0.455 1191 I N -0.022 120.671 120.570 0.204 0.000 2.647 1191 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 1191 I C 0.335 176.676 176.117 0.373 0.000 1.078 1191 I CA -0.901 60.578 61.300 0.298 0.000 1.048 1191 I CB 2.446 40.543 38.000 0.163 0.000 1.239 1191 I HN 0.411 nan 8.210 nan 0.000 0.421 1192 G N 5.904 114.933 108.800 0.383 0.000 2.662 1192 G HA2 0.719 4.679 3.960 -0.000 0.000 0.302 1192 G HA3 0.719 4.679 3.960 -0.000 0.000 0.302 1192 G C -1.323 173.728 174.900 0.253 0.000 1.389 1192 G CA -0.458 44.834 45.100 0.321 0.000 0.998 1192 G HN 0.377 nan 8.290 nan 0.000 0.502 1193 L N 1.291 122.634 121.223 0.200 0.000 2.334 1193 L HA 0.618 4.958 4.340 -0.000 0.000 0.272 1193 L C -0.249 176.707 176.870 0.143 0.000 1.020 1193 L CA -0.950 54.006 54.840 0.193 0.000 0.812 1193 L CB 1.956 44.101 42.059 0.143 0.000 1.264 1193 L HN 0.204 nan 8.230 nan 0.000 0.439 1194 L N 1.033 122.338 121.223 0.137 0.000 2.346 1194 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 1194 L C 0.429 177.341 176.870 0.071 0.000 1.006 1194 L CA -0.487 54.408 54.840 0.093 0.000 0.817 1194 L CB 1.806 43.914 42.059 0.082 0.000 1.272 1194 L HN 0.668 nan 8.230 nan 0.000 0.421 1195 G N 1.052 109.875 108.800 0.038 0.000 2.531 1195 G HA2 0.294 4.254 3.960 -0.000 0.000 0.313 1195 G HA3 0.294 4.254 3.960 -0.000 0.000 0.313 1195 G C -0.948 173.930 174.900 -0.036 0.000 1.238 1195 G CA -0.583 44.522 45.100 0.008 0.000 0.994 1195 G HN 0.528 nan 8.290 nan 0.000 0.493 1196 K N 0.127 120.464 120.400 -0.104 0.000 2.310 1196 K HA 0.267 4.587 4.320 -0.000 0.000 0.290 1196 K C 1.096 177.601 176.600 -0.159 0.000 1.077 1196 K CA -0.007 56.153 56.287 -0.211 0.000 0.922 1196 K CB 0.457 32.687 32.500 -0.449 0.000 1.057 1196 K HN 0.450 nan 8.250 nan 0.000 0.479 1197 G N 3.557 112.293 108.800 -0.106 0.000 2.985 1197 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.209 1197 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.209 1197 G C -0.027 174.835 174.900 -0.064 0.000 1.165 1197 G CA -0.297 44.760 45.100 -0.072 0.000 0.776 1197 G HN 0.627 nan 8.290 nan 0.000 0.541 1198 N N 0.431 119.079 118.700 -0.086 0.000 2.605 1198 N HA 0.428 5.168 4.740 -0.000 0.000 0.258 1198 N C -1.025 174.455 175.510 -0.049 0.000 1.156 1198 N CA 0.147 53.176 53.050 -0.034 0.000 1.008 1198 N CB 1.637 40.154 38.487 0.050 0.000 1.354 1198 N HN 0.034 nan 8.380 nan 0.000 0.509 1199 V N 0.494 120.387 119.914 -0.035 0.000 3.177 1199 V HA 0.258 4.378 4.120 -0.000 0.000 0.287 1199 V C -0.368 175.714 176.094 -0.020 0.000 1.465 1199 V CA -0.569 61.713 62.300 -0.031 0.000 1.020 1199 V CB 2.234 34.027 31.823 -0.049 0.000 1.152 1199 V HN 0.419 nan 8.190 nan 0.000 0.448 1200 S N 2.716 118.408 115.700 -0.014 0.000 2.572 1200 S HA 0.198 4.668 4.470 -0.000 0.000 0.228 1200 S C 0.023 174.616 174.600 -0.013 0.000 0.963 1200 S CA 0.031 58.224 58.200 -0.012 0.000 0.939 1200 S CB 0.030 63.225 63.200 -0.007 0.000 0.804 1200 S HN 0.713 nan 8.310 nan 0.000 0.480 1201 Q N 2.505 122.296 119.800 -0.016 0.000 2.381 1201 Q HA 0.344 4.684 4.340 -0.000 0.000 0.263 1201 Q C -2.032 173.958 176.000 -0.017 0.000 1.030 1201 Q CA -2.169 53.625 55.803 -0.015 0.000 0.772 1201 Q CB 1.458 30.187 28.738 -0.015 0.000 1.232 1201 Q HN -0.051 nan 8.270 nan 0.000 0.476 1202 P HA -0.193 nan 4.420 nan 0.000 0.216 1202 P C -0.005 177.286 177.300 -0.015 0.000 1.150 1202 P CA 1.196 64.286 63.100 -0.016 0.000 0.843 1202 P CB 0.452 32.144 31.700 -0.014 0.000 0.787 1203 D N 0.204 120.597 120.400 -0.013 0.000 2.178 1203 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 1203 D C 2.098 178.390 176.300 -0.012 0.000 0.980 1203 D CA 1.473 55.466 54.000 -0.011 0.000 0.842 1203 D CB -0.580 40.215 40.800 -0.009 0.000 0.948 1203 D HN 0.154 nan 8.370 nan 0.000 0.472 1204 A N 0.233 123.043 122.820 -0.017 0.000 2.067 1204 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 1204 A C 2.308 179.878 177.584 -0.025 0.000 1.158 1204 A CA 0.725 52.749 52.037 -0.022 0.000 0.661 1204 A CB -0.384 18.598 19.000 -0.030 0.000 0.801 1204 A HN 0.207 nan 8.150 nan 0.000 0.452 1205 L N -1.694 119.514 121.223 -0.024 0.000 2.168 1205 L HA -0.015 4.325 4.340 -0.000 0.000 0.203 1205 L C 2.720 179.582 176.870 -0.013 0.000 1.078 1205 L CA 0.640 55.466 54.840 -0.024 0.000 0.780 1205 L CB -0.467 41.577 42.059 -0.026 0.000 0.939 1205 L HN 0.286 nan 8.230 nan 0.000 0.451 1206 R N 0.420 120.913 120.500 -0.011 0.000 2.105 1206 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 1206 R C 2.092 178.391 176.300 -0.001 0.000 1.135 1206 R CA 1.399 57.495 56.100 -0.005 0.000 0.967 1206 R CB -0.292 30.005 30.300 -0.006 0.000 0.861 1206 R HN 0.451 nan 8.270 nan 0.000 0.442 1207 E N 0.732 120.931 120.200 -0.001 0.000 2.058 1207 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 1207 E C 2.158 178.763 176.600 0.009 0.000 0.997 1207 E CA 1.282 57.684 56.400 0.004 0.000 0.801 1207 E CB -0.022 29.681 29.700 0.004 0.000 0.746 1207 E HN 0.447 nan 8.360 nan 0.000 0.450 1208 Q N 0.219 120.023 119.800 0.006 0.000 2.084 1208 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 1208 Q C 2.422 178.432 176.000 0.016 0.000 0.978 1208 Q CA 1.329 57.139 55.803 0.012 0.000 0.844 1208 Q CB -0.010 28.730 28.738 0.003 0.000 0.898 1208 Q HN 0.162 nan 8.270 nan 0.000 0.426 1209 V N 1.069 120.990 119.914 0.012 0.000 2.343 1209 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 1209 V C 2.266 178.371 176.094 0.018 0.000 1.051 1209 V CA 1.802 64.112 62.300 0.017 0.000 1.036 1209 V CB -0.970 30.860 31.823 0.011 0.000 0.654 1209 V HN 0.376 nan 8.190 nan 0.000 0.451 1210 A N -0.147 122.680 122.820 0.013 0.000 2.070 1210 A HA 0.008 4.328 4.320 -0.000 0.000 0.220 1210 A C 2.312 179.903 177.584 0.011 0.000 1.159 1210 A CA 1.724 53.768 52.037 0.011 0.000 0.656 1210 A CB -0.517 18.487 19.000 0.007 0.000 0.800 1210 A HN 0.568 nan 8.150 nan 0.000 0.453 1211 A N -2.067 120.761 122.820 0.014 0.000 2.016 1211 A HA 0.393 4.713 4.320 -0.000 0.000 0.217 1211 A C 1.793 179.383 177.584 0.011 0.000 1.162 1211 A CA 1.746 53.789 52.037 0.011 0.000 0.662 1211 A CB -0.349 18.662 19.000 0.018 0.000 0.812 1211 A HN 1.542 nan 8.150 nan 0.000 0.450 1212 G N -1.832 106.981 108.800 0.022 0.000 3.246 1212 G HA2 0.063 4.023 3.960 -0.000 0.000 0.218 1212 G HA3 0.063 4.023 3.960 -0.000 0.000 0.218 1212 G C 0.329 175.261 174.900 0.053 0.000 0.978 1212 G CA 0.085 45.204 45.100 0.031 0.000 0.825 1212 G HN 1.352 nan 8.290 nan 0.000 0.546 1213 V N 1.268 121.213 119.914 0.053 0.000 2.843 1213 V HA 0.571 4.691 4.120 -0.000 0.000 0.305 1213 V C 1.640 177.781 176.094 0.078 0.000 1.065 1213 V CA 0.245 62.587 62.300 0.070 0.000 1.116 1213 V CB 1.086 32.944 31.823 0.059 0.000 0.968 1213 V HN 0.815 nan 8.190 nan 0.000 0.487 1214 I N 0.557 121.188 120.570 0.101 0.000 3.928 1214 I HA 0.758 4.928 4.170 -0.000 0.000 0.335 1214 I C 0.669 176.849 176.117 0.106 0.000 1.325 1214 I CA 0.367 61.731 61.300 0.107 0.000 1.107 1214 I CB -0.221 37.858 38.000 0.130 0.000 1.014 1214 I HN 0.904 nan 8.210 nan 0.000 0.400 1215 G N 0.837 109.692 108.800 0.091 0.000 2.523 1215 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 1215 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 1215 G C -1.625 173.299 174.900 0.041 0.000 1.450 1215 G CA -0.712 44.435 45.100 0.078 0.000 0.790 1215 G HN 0.085 nan 8.290 nan 0.000 0.496 1219 Q N 4.126 124.027 119.800 0.168 0.000 2.375 1219 Q HA 0.409 4.749 4.340 -0.000 0.000 0.271 1219 Q C 0.726 176.740 176.000 0.022 0.000 1.074 1219 Q CA -0.521 55.339 55.803 0.096 0.000 0.808 1219 Q CB 2.614 31.508 28.738 0.261 0.000 1.327 1219 Q HN 0.818 nan 8.270 nan 0.000 0.441 1220 E N 1.166 121.266 120.200 -0.167 0.000 2.204 1220 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 1220 E C -0.112 176.416 176.600 -0.120 0.000 0.990 1220 E CA 1.596 57.928 56.400 -0.112 0.000 0.821 1220 E CB 0.226 29.870 29.700 -0.093 0.000 0.750 1220 E HN 0.453 nan 8.360 nan 0.000 0.477 1221 D N 0.261 120.540 120.400 -0.202 0.000 2.264 1221 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 1221 D C 0.597 176.750 176.300 -0.245 0.000 0.966 1221 D CA 0.946 54.798 54.000 -0.248 0.000 0.864 1221 D CB -0.228 40.372 40.800 -0.333 0.000 0.933 1221 D HN 0.489 nan 8.370 nan 0.000 0.499 1222 W N 0.348 121.637 121.300 -0.017 0.000 3.220 1222 W HA 0.402 5.062 4.660 -0.000 0.000 0.328 1222 W C 0.586 177.092 176.519 -0.021 0.000 1.205 1222 W CA -0.052 57.289 57.345 -0.007 0.000 1.773 1222 W CB 0.819 30.280 29.460 0.001 0.000 1.086 1222 W HN -0.067 nan 8.180 nan 0.000 0.622 1223 G N 1.325 110.210 108.800 0.143 0.000 2.780 1223 G HA2 0.078 4.038 3.960 -0.000 0.000 0.364 1223 G HA3 0.078 4.038 3.960 -0.000 0.000 0.364 1223 G C -0.275 174.662 174.900 0.060 0.000 1.045 1223 G CA -0.605 44.538 45.100 0.072 0.000 1.202 1223 G HN 0.405 nan 8.290 nan 0.000 0.534 1224 A N 2.347 125.184 122.820 0.029 0.000 3.126 1224 A HA 0.690 5.010 4.320 -0.000 0.000 0.268 1224 A C 1.217 178.813 177.584 0.019 0.000 1.605 1224 A CA 0.820 52.876 52.037 0.031 0.000 1.305 1224 A CB -0.464 18.556 19.000 0.034 0.000 1.160 1224 A HN 2.014 nan 8.150 nan 0.000 0.609 1225 T N -2.275 112.289 114.554 0.018 0.000 2.918 1225 T HA 0.463 4.813 4.350 -0.000 0.000 0.283 1225 T C -1.883 172.826 174.700 0.016 0.000 1.001 1225 T CA -1.739 60.368 62.100 0.012 0.000 1.041 1225 T CB 1.195 70.066 68.868 0.005 0.000 1.028 1225 T HN 0.077 nan 8.240 nan 0.000 0.511 1226 P HA -0.061 nan 4.420 nan 0.000 0.216 1226 P C 1.645 178.946 177.300 0.001 0.000 1.150 1226 P CA 1.471 64.576 63.100 0.009 0.000 0.837 1226 P CB -0.244 31.459 31.700 0.004 0.000 0.786 1227 A N -0.133 122.686 122.820 -0.000 0.000 1.902 1227 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 1227 A C 2.310 179.892 177.584 -0.004 0.000 1.181 1227 A CA 2.098 54.133 52.037 -0.003 0.000 0.623 1227 A CB -1.579 17.419 19.000 -0.004 0.000 0.818 1227 A HN 0.196 nan 8.150 nan 0.000 0.443 1228 A N -0.096 122.724 122.820 0.000 0.000 1.898 1228 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 1228 A C 2.121 179.701 177.584 -0.007 0.000 1.181 1228 A CA 1.428 53.464 52.037 -0.001 0.000 0.620 1228 A CB -0.603 18.403 19.000 0.010 0.000 0.819 1228 A HN 0.484 nan 8.150 nan 0.000 0.442 1229 I N -0.150 120.418 120.570 -0.003 0.000 2.163 1229 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 1229 I C 2.339 178.445 176.117 -0.018 0.000 1.085 1229 I CA 1.989 63.283 61.300 -0.010 0.000 1.347 1229 I CB -0.423 37.576 38.000 -0.002 0.000 1.044 1229 I HN 0.425 nan 8.210 nan 0.000 0.408 1230 D N 0.222 120.613 120.400 -0.014 0.000 2.097 1230 D HA -0.238 4.402 4.640 -0.000 0.000 0.195 1230 D C 2.320 178.609 176.300 -0.019 0.000 0.989 1230 D CA 1.376 55.366 54.000 -0.017 0.000 0.827 1230 D CB -0.206 40.586 40.800 -0.013 0.000 0.966 1230 D HN 0.394 nan 8.370 nan 0.000 0.456 1231 C N 0.096 119.386 119.300 -0.017 0.000 2.413 1231 C HA -0.008 4.452 4.460 -0.000 0.000 0.276 1231 C C 2.893 177.870 174.990 -0.022 0.000 1.236 1231 C CA 1.671 60.678 59.018 -0.018 0.000 1.735 1231 C CB -1.499 26.231 27.740 -0.017 0.000 2.031 1231 C HN 0.448 nan 8.230 nan 0.000 0.474 1232 A N 0.011 122.815 122.820 -0.026 0.000 1.902 1232 A HA -0.035 4.285 4.320 -0.000 0.000 0.217 1232 A C 2.185 179.749 177.584 -0.034 0.000 1.181 1232 A CA 1.712 53.730 52.037 -0.031 0.000 0.623 1232 A CB -0.698 18.280 19.000 -0.037 0.000 0.818 1232 A HN 0.670 nan 8.150 nan 0.000 0.443 1233 L N -0.681 120.522 121.223 -0.034 0.000 2.141 1233 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 1233 L C 2.729 179.580 176.870 -0.031 0.000 1.094 1233 L CA 1.610 56.428 54.840 -0.037 0.000 0.763 1233 L CB -0.741 41.295 42.059 -0.038 0.000 0.908 1233 L HN 0.353 nan 8.230 nan 0.000 0.437 1234 T N -0.720 113.819 114.554 -0.025 0.000 2.737 1234 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 1234 T C 1.983 176.671 174.700 -0.021 0.000 1.038 1234 T CA 1.280 63.367 62.100 -0.021 0.000 1.144 1234 T CB -0.153 68.704 68.868 -0.018 0.000 0.866 1234 T HN 0.061 nan 8.240 nan 0.000 0.434 1235 V N 1.665 121.566 119.914 -0.021 0.000 2.427 1235 V HA -0.116 4.004 4.120 -0.000 0.000 0.248 1235 V C 2.866 178.948 176.094 -0.020 0.000 1.051 1235 V CA 1.489 63.778 62.300 -0.018 0.000 1.048 1235 V CB -1.186 30.626 31.823 -0.018 0.000 0.666 1235 V HN 0.512 nan 8.190 nan 0.000 0.456 1236 A N 0.037 122.841 122.820 -0.025 0.000 1.883 1236 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 1236 A C 2.000 179.567 177.584 -0.028 0.000 1.186 1236 A CA 2.107 54.127 52.037 -0.029 0.000 0.624 1236 A CB -0.655 18.321 19.000 -0.040 0.000 0.822 1236 A HN 0.515 nan 8.150 nan 0.000 0.444 1237 D N -0.476 119.907 120.400 -0.028 0.000 2.178 1237 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 1237 D C 1.935 178.222 176.300 -0.021 0.000 0.980 1237 D CA 1.267 55.251 54.000 -0.026 0.000 0.842 1237 D CB -0.258 40.527 40.800 -0.025 0.000 0.948 1237 D HN 0.665 nan 8.370 nan 0.000 0.472 1238 E N -0.401 119.788 120.200 -0.018 0.000 2.046 1238 E HA 0.008 4.358 4.350 -0.000 0.000 0.190 1238 E C 1.672 178.265 176.600 -0.012 0.000 0.982 1238 E CA 0.671 57.063 56.400 -0.014 0.000 0.800 1238 E CB 0.064 29.756 29.700 -0.012 0.000 0.756 1238 E HN 0.267 nan 8.360 nan 0.000 0.449 1239 M N 0.387 119.980 119.600 -0.011 0.000 2.383 1239 M HA 0.079 4.559 4.480 -0.000 0.000 0.247 1239 M C -0.227 176.070 176.300 -0.006 0.000 1.117 1239 M CA -0.038 55.259 55.300 -0.006 0.000 0.995 1239 M CB 0.536 33.135 32.600 -0.002 0.000 1.480 1239 M HN -0.143 nan 8.290 nan 0.000 0.485 1240 D N 2.834 123.226 120.400 -0.013 0.000 2.705 1240 D HA -0.154 4.486 4.640 -0.000 0.000 0.240 1240 D C -1.031 175.263 176.300 -0.011 0.000 1.137 1240 D CA 0.635 54.625 54.000 -0.017 0.000 0.677 1240 D CB -0.802 39.988 40.800 -0.017 0.000 1.049 1240 D HN 0.544 nan 8.370 nan 0.000 0.427 1241 I N -2.580 117.982 120.570 -0.014 0.000 3.002 1241 I HA 0.719 4.889 4.170 -0.000 0.000 0.310 1241 I C -0.016 176.082 176.117 -0.033 0.000 1.087 1241 I CA -1.188 60.110 61.300 -0.004 0.000 1.017 1241 I CB 1.514 39.522 38.000 0.013 0.000 1.226 1241 I HN -0.122 nan 8.210 nan 0.000 0.443 1242 Q N 1.569 121.347 119.800 -0.036 0.000 2.214 1242 Q HA 0.729 5.069 4.340 -0.000 0.000 0.251 1242 Q C -1.473 174.476 176.000 -0.085 0.000 0.936 1242 Q CA -0.625 55.110 55.803 -0.112 0.000 0.894 1242 Q CB 1.940 30.500 28.738 -0.296 0.000 1.252 1242 Q HN 0.644 nan 8.270 nan 0.000 0.448 1243 V N 2.197 122.036 119.914 -0.125 0.000 2.459 1243 V HA 0.851 4.971 4.120 -0.000 0.000 0.295 1243 V C -0.668 175.291 176.094 -0.225 0.000 1.029 1243 V CA -0.693 61.527 62.300 -0.133 0.000 0.874 1243 V CB 1.379 33.136 31.823 -0.110 0.000 0.985 1243 V HN 0.862 nan 8.190 nan 0.000 0.438 1244 A N 5.015 127.631 122.820 -0.340 0.000 2.318 1244 A HA 0.892 5.212 4.320 -0.000 0.000 0.324 1244 A C -1.115 176.110 177.584 -0.599 0.000 1.170 1244 A CA -0.486 51.094 52.037 -0.761 0.000 0.810 1244 A CB 1.237 19.471 19.000 -1.277 0.000 1.198 1244 A HN 0.826 nan 8.150 nan 0.000 0.484 1245 L N 1.961 122.842 121.223 -0.570 0.000 2.365 1245 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 1245 L C -0.564 176.245 176.870 -0.101 0.000 1.000 1245 L CA -0.199 54.495 54.840 -0.244 0.000 0.819 1245 L CB 1.698 43.676 42.059 -0.136 0.000 1.284 1245 L HN 0.805 nan 8.230 nan 0.000 0.418 1246 H N 3.185 122.246 119.070 -0.015 0.000 2.887 1246 H HA 0.547 5.102 4.556 -0.000 0.000 0.300 1246 H C -0.416 174.975 175.328 0.104 0.000 1.038 1246 H CA -0.383 55.771 56.048 0.177 0.000 1.352 1246 H CB 0.895 30.857 29.762 0.333 0.000 1.473 1246 H HN 0.839 nan 8.280 nan 0.000 0.503 1247 S N 2.570 118.423 115.700 0.255 0.000 2.617 1247 S HA -0.047 4.423 4.470 -0.000 0.000 0.259 1247 S C 0.430 175.034 174.600 0.006 0.000 1.301 1247 S CA -0.834 57.430 58.200 0.107 0.000 0.984 1247 S CB 0.943 64.197 63.200 0.089 0.000 0.954 1247 S HN 0.749 nan 8.310 nan 0.000 0.572 1248 D N 0.519 120.744 120.400 -0.292 0.000 2.398 1248 D HA 0.171 4.811 4.640 -0.000 0.000 0.250 1248 D C 1.019 177.027 176.300 -0.487 0.000 1.287 1248 D CA 0.105 53.891 54.000 -0.356 0.000 0.992 1248 D CB -0.197 40.424 40.800 -0.297 0.000 1.071 1248 D HN 0.542 nan 8.370 nan 0.000 0.514 1249 T N 3.562 118.023 114.554 -0.156 0.000 2.720 1249 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 1249 T C 1.973 176.672 174.700 -0.002 0.000 1.037 1249 T CA 0.777 62.870 62.100 -0.013 0.000 1.144 1249 T CB -0.041 68.960 68.868 0.222 0.000 0.864 1249 T HN 0.439 nan 8.240 nan 0.000 0.444 1250 L N 0.959 122.114 121.223 -0.113 0.000 2.450 1250 L HA -0.024 4.316 4.340 -0.000 0.000 0.224 1250 L C 0.782 177.634 176.870 -0.030 0.000 1.149 1250 L CA 0.338 55.104 54.840 -0.122 0.000 0.816 1250 L CB -0.777 41.123 42.059 -0.264 0.000 0.932 1250 L HN 0.292 nan 8.230 nan 0.000 0.449 1251 N N -0.162 118.541 118.700 0.005 0.000 2.741 1251 N HA -0.268 4.471 4.740 -0.000 0.000 0.251 1251 N C 1.141 176.587 175.510 -0.107 0.000 1.112 1251 N CA 1.295 54.384 53.050 0.066 0.000 0.750 1251 N CB -1.045 37.551 38.487 0.181 0.000 1.119 1251 N HN 0.578 nan 8.380 nan 0.000 0.561 1252 E N 0.548 120.691 120.200 -0.096 0.000 2.051 1252 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 1252 E C 1.459 177.995 176.600 -0.107 0.000 0.991 1252 E CA 1.845 58.180 56.400 -0.109 0.000 0.799 1252 E CB 0.087 29.721 29.700 -0.109 0.000 0.748 1252 E HN 0.549 nan 8.360 nan 0.000 0.449 1253 S N -1.152 114.502 115.700 -0.077 0.000 2.548 1253 S HA 0.373 4.843 4.470 -0.000 0.000 0.215 1253 S C 0.595 175.146 174.600 -0.082 0.000 0.976 1253 S CA 0.063 58.226 58.200 -0.062 0.000 0.908 1253 S CB 1.201 64.386 63.200 -0.024 0.000 0.781 1253 S HN 0.437 nan 8.310 nan 0.000 0.519 1254 G N -0.054 108.671 108.800 -0.124 0.000 2.337 1254 G HA2 0.380 4.340 3.960 -0.000 0.000 0.298 1254 G HA3 0.380 4.340 3.960 -0.000 0.000 0.298 1254 G C -1.129 173.655 174.900 -0.193 0.000 1.335 1254 G CA -1.159 43.809 45.100 -0.219 0.000 0.875 1254 G HN 0.160 nan 8.290 nan 0.000 0.579 1255 F N -1.031 118.897 119.950 -0.037 0.000 2.321 1255 F HA 0.512 5.039 4.527 -0.000 0.000 0.318 1255 F C 1.899 177.299 175.800 -0.667 0.000 1.129 1255 F CA 0.064 57.947 58.000 -0.196 0.000 1.074 1255 F CB 1.328 40.269 39.000 -0.100 0.000 1.432 1255 F HN 0.321 nan 8.300 nan 0.000 0.502 1256 V N 1.485 121.053 119.914 -0.576 0.000 2.324 1256 V HA -0.255 3.865 4.120 -0.000 0.000 0.250 1256 V C 2.254 178.199 176.094 -0.248 0.000 1.060 1256 V CA 2.510 64.440 62.300 -0.616 0.000 1.042 1256 V CB -0.605 31.091 31.823 -0.211 0.000 0.650 1256 V HN 0.841 nan 8.190 nan 0.000 0.450 1257 E N -0.940 119.200 120.200 -0.100 0.000 2.153 1257 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 1257 E C 1.715 178.291 176.600 -0.040 0.000 0.988 1257 E CA 1.786 58.162 56.400 -0.040 0.000 0.811 1257 E CB -0.719 28.989 29.700 0.013 0.000 0.746 1257 E HN 0.686 nan 8.360 nan 0.000 0.466 1258 D N 0.886 121.263 120.400 -0.038 0.000 2.123 1258 D HA -0.071 4.569 4.640 -0.000 0.000 0.200 1258 D C 1.792 178.078 176.300 -0.024 0.000 0.976 1258 D CA 1.683 55.670 54.000 -0.022 0.000 0.831 1258 D CB -0.083 40.707 40.800 -0.017 0.000 0.974 1258 D HN 0.211 nan 8.370 nan 0.000 0.469 1259 T N 1.588 116.122 114.554 -0.034 0.000 2.746 1259 T HA -0.068 4.282 4.350 -0.000 0.000 0.267 1259 T C 2.257 176.937 174.700 -0.033 0.000 1.039 1259 T CA 0.483 62.597 62.100 0.023 0.000 1.142 1259 T CB -0.215 68.739 68.868 0.144 0.000 0.866 1259 T HN 0.095 nan 8.240 nan 0.000 0.444 1260 L N 0.641 121.813 121.223 -0.085 0.000 2.131 1260 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 1260 L C 2.950 179.759 176.870 -0.101 0.000 1.092 1260 L CA 1.111 55.862 54.840 -0.148 0.000 0.759 1260 L CB -0.579 41.335 42.059 -0.241 0.000 0.903 1260 L HN 0.248 nan 8.230 nan 0.000 0.435 1261 A N -0.090 122.695 122.820 -0.059 0.000 1.898 1261 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 1261 A C 2.534 180.101 177.584 -0.028 0.000 1.181 1261 A CA 1.517 53.535 52.037 -0.033 0.000 0.620 1261 A CB -0.627 18.364 19.000 -0.016 0.000 0.819 1261 A HN 0.381 nan 8.150 nan 0.000 0.442 1262 A N 0.035 122.840 122.820 -0.024 0.000 1.933 1262 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 1262 A C 2.068 179.637 177.584 -0.026 0.000 1.175 1262 A CA 1.492 53.518 52.037 -0.018 0.000 0.628 1262 A CB -0.627 18.369 19.000 -0.006 0.000 0.814 1262 A HN 0.507 nan 8.150 nan 0.000 0.444 1263 I N -0.480 120.067 120.570 -0.038 0.000 2.361 1263 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 1263 I C 1.777 177.869 176.117 -0.042 0.000 1.133 1263 I CA 0.890 62.161 61.300 -0.047 0.000 1.413 1263 I CB -0.695 37.263 38.000 -0.070 0.000 1.073 1263 I HN 0.480 nan 8.210 nan 0.000 0.424 1264 G N 1.161 109.937 108.800 -0.039 0.000 2.356 1264 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.296 1264 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.296 1264 G C 0.996 175.883 174.900 -0.022 0.000 1.022 1264 G CA 0.450 45.535 45.100 -0.026 0.000 0.961 1264 G HN 0.924 nan 8.290 nan 0.000 0.510 1265 G N -1.728 107.057 108.800 -0.026 0.000 2.168 1265 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.263 1265 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.263 1265 G C 0.558 175.446 174.900 -0.021 0.000 0.977 1265 G CA 1.056 46.148 45.100 -0.012 0.000 0.659 1265 G HN 1.026 nan 8.290 nan 0.000 0.533 1266 R N 0.548 121.029 120.500 -0.032 0.000 2.490 1266 R HA 0.469 4.809 4.340 -0.000 0.000 0.278 1266 R C 0.455 176.727 176.300 -0.046 0.000 1.069 1266 R CA -0.056 56.022 56.100 -0.036 0.000 1.080 1266 R CB 0.486 30.763 30.300 -0.038 0.000 1.030 1266 R HN 0.151 nan 8.270 nan 0.000 0.491 1267 T N 3.219 117.743 114.554 -0.050 0.000 2.908 1267 T HA 0.177 4.527 4.350 -0.000 0.000 0.301 1267 T C 0.163 174.817 174.700 -0.076 0.000 1.019 1267 T CA 0.495 62.557 62.100 -0.063 0.000 1.152 1267 T CB 0.030 68.856 68.868 -0.070 0.000 0.966 1267 T HN 0.391 nan 8.240 nan 0.000 0.540 1268 I N 1.720 122.242 120.570 -0.080 0.000 2.842 1268 I HA 0.257 4.427 4.170 -0.000 0.000 0.297 1268 I C -0.916 175.164 176.117 -0.062 0.000 1.380 1268 I CA -0.883 60.363 61.300 -0.089 0.000 1.018 1268 I CB 2.206 40.152 38.000 -0.090 0.000 1.311 1268 I HN 0.734 nan 8.210 nan 0.000 0.439 1269 H N 5.326 124.258 119.070 -0.230 0.000 2.597 1269 H HA 0.417 4.973 4.556 -0.000 0.000 0.303 1269 H C -0.884 174.279 175.328 -0.274 0.000 1.057 1269 H CA -0.590 55.319 56.048 -0.232 0.000 1.261 1269 H CB 1.009 30.616 29.762 -0.260 0.000 1.397 1269 H HN 0.603 nan 8.280 nan 0.000 0.461 1270 T N 3.498 118.059 114.554 0.012 0.000 2.728 1270 T HA 0.191 4.541 4.350 -0.000 0.000 0.296 1270 T C -0.050 174.587 174.700 -0.105 0.000 0.940 1270 T CA -0.761 61.259 62.100 -0.133 0.000 1.013 1270 T CB 0.188 69.005 68.868 -0.085 0.000 0.912 1270 T HN 0.192 nan 8.240 nan 0.000 0.484 1271 F N 3.638 123.313 119.950 -0.460 0.000 2.410 1271 F HA 0.248 4.775 4.527 -0.000 0.000 0.334 1271 F C 1.539 176.911 175.800 -0.714 0.000 1.134 1271 F CA -1.014 56.626 58.000 -0.600 0.000 1.227 1271 F CB -0.122 38.402 39.000 -0.794 0.000 1.194 1271 F HN 0.953 nan 8.300 nan 0.000 0.571 1272 H N -1.005 118.230 119.070 0.274 0.000 2.166 1272 H HA -0.208 4.348 4.556 -0.000 0.000 0.323 1272 H C 0.761 176.169 175.328 0.132 0.000 0.936 1272 H CA 0.466 56.620 56.048 0.176 0.000 1.073 1272 H CB -2.439 27.393 29.762 0.117 0.000 1.592 1272 H HN 0.523 nan 8.280 nan 0.000 0.346 1273 T N -0.943 113.697 114.554 0.143 0.000 2.897 1273 T HA -0.243 4.107 4.350 -0.000 0.000 0.271 1273 T C 1.772 176.641 174.700 0.282 0.000 1.084 1273 T CA 1.289 63.437 62.100 0.080 0.000 1.123 1273 T CB 0.024 68.692 68.868 -0.334 0.000 0.865 1273 T HN 0.699 nan 8.240 nan 0.000 0.496 1274 E N 0.785 121.229 120.200 0.407 0.000 2.106 1274 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 1274 E C 1.928 178.612 176.600 0.140 0.000 0.984 1274 E CA 1.365 57.936 56.400 0.286 0.000 0.806 1274 E CB -0.258 29.564 29.700 0.202 0.000 0.750 1274 E HN 0.599 nan 8.360 nan 0.000 0.458 1275 G N -0.247 108.632 108.800 0.132 0.000 2.541 1275 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.201 1275 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.201 1275 G C 1.419 176.288 174.900 -0.052 0.000 1.026 1275 G CA 0.591 45.715 45.100 0.040 0.000 0.687 1275 G HN 0.537 nan 8.290 nan 0.000 0.492 1276 A N 0.919 123.706 122.820 -0.055 0.000 1.917 1276 A HA 0.251 4.571 4.320 -0.000 0.000 0.219 1276 A C 2.666 180.179 177.584 -0.120 0.000 1.182 1276 A CA 2.657 54.647 52.037 -0.078 0.000 0.633 1276 A CB -1.040 17.917 19.000 -0.072 0.000 0.819 1276 A HN 1.682 nan 8.150 nan 0.000 0.448 1277 G N -1.663 106.998 108.800 -0.231 0.000 2.744 1277 G HA2 0.427 4.387 3.960 -0.000 0.000 0.211 1277 G HA3 0.427 4.387 3.960 -0.000 0.000 0.211 1277 G C 0.715 175.047 174.900 -0.946 0.000 1.143 1277 G CA 0.815 45.596 45.100 -0.531 0.000 0.788 1277 G HN 1.696 nan 8.290 nan 0.000 0.534 1278 G N -2.286 106.098 108.800 -0.693 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 -0.304 174.406 174.900 -0.316 0.000 1.496 1278 G CA -0.108 44.616 45.100 -0.626 0.000 0.896 1278 G HN 1.800 nan 8.290 nan 0.000 0.657 1279 G N 0.484 109.237 108.800 -0.079 0.000 2.321 1279 G HA2 0.486 4.446 3.960 -0.000 0.000 0.339 1279 G HA3 0.486 4.446 3.960 -0.000 0.000 0.339 1279 G C -0.501 174.427 174.900 0.047 0.000 1.518 1279 G CA -0.441 44.673 45.100 0.024 0.000 0.994 1279 G HN 1.400 nan 8.290 nan 0.000 0.668 1280 H N 0.166 119.292 119.070 0.094 0.000 3.232 1280 H HA 0.225 4.780 4.556 -0.000 0.000 0.276 1280 H C 1.140 176.510 175.328 0.071 0.000 0.882 1280 H CA 1.508 57.615 56.048 0.099 0.000 1.415 1280 H CB 0.417 30.245 29.762 0.110 0.000 1.405 1280 H HN 0.946 nan 8.280 nan 0.000 0.543 1281 A N 7.076 129.998 122.820 0.172 0.000 2.328 1281 A HA 0.268 4.588 4.320 -0.000 0.000 0.284 1281 A C -1.510 176.119 177.584 0.076 0.000 1.160 1281 A CA -1.193 50.884 52.037 0.066 0.000 0.818 1281 A CB 0.611 19.640 19.000 0.048 0.000 1.087 1281 A HN 0.539 nan 8.150 nan 0.000 0.504 1282 P HA 0.166 nan 4.420 nan 0.000 0.290 1282 P C -0.638 176.632 177.300 -0.049 0.000 1.519 1282 P CA 0.140 63.147 63.100 -0.155 0.000 1.189 1282 P CB 0.516 31.922 31.700 -0.490 0.000 1.569 1283 D N -0.769 119.650 120.400 0.032 0.000 2.559 1283 D HA 0.035 4.675 4.640 -0.000 0.000 0.234 1283 D C 1.231 177.582 176.300 0.085 0.000 1.226 1283 D CA -0.653 53.378 54.000 0.051 0.000 0.830 1283 D CB -0.495 40.325 40.800 0.034 0.000 1.028 1283 D HN -0.030 nan 8.370 nan 0.000 0.492 1284 I N 0.450 121.089 120.570 0.116 0.000 2.614 1284 I HA -0.042 4.128 4.170 -0.000 0.000 0.258 1284 I C 1.650 177.839 176.117 0.120 0.000 1.189 1284 I CA 0.715 62.098 61.300 0.138 0.000 1.462 1284 I CB -0.153 37.942 38.000 0.158 0.000 1.092 1284 I HN 0.205 nan 8.210 nan 0.000 0.442 1285 I N 0.411 121.060 120.570 0.131 0.000 2.567 1285 I HA -0.297 3.873 4.170 -0.000 0.000 0.257 1285 I C 2.035 178.252 176.117 0.166 0.000 1.184 1285 I CA 1.721 63.133 61.300 0.187 0.000 1.451 1285 I CB -0.312 37.797 38.000 0.183 0.000 1.089 1285 I HN 0.477 nan 8.210 nan 0.000 0.441 1286 T N -1.506 113.121 114.554 0.122 0.000 3.098 1286 T HA 0.031 4.381 4.350 -0.000 0.000 0.266 1286 T C 1.821 176.619 174.700 0.162 0.000 1.145 1286 T CA 0.695 62.867 62.100 0.120 0.000 1.092 1286 T CB -0.394 68.532 68.868 0.098 0.000 0.908 1286 T HN 0.386 nan 8.240 nan 0.000 0.526 1287 A N 1.399 124.300 122.820 0.136 0.000 2.019 1287 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 1287 A C 2.640 180.316 177.584 0.153 0.000 1.164 1287 A CA 1.355 53.474 52.037 0.137 0.000 0.644 1287 A CB -1.543 17.473 19.000 0.026 0.000 0.805 1287 A HN 0.997 nan 8.150 nan 0.000 0.449 1288 C N -1.747 117.602 119.300 0.081 0.000 2.485 1288 C HA 0.408 4.868 4.460 -0.000 0.000 0.283 1288 C C 2.357 177.380 174.990 0.054 0.000 1.478 1288 C CA 0.031 59.071 59.018 0.037 0.000 1.741 1288 C CB -1.798 25.988 27.740 0.075 0.000 1.675 1288 C HN 0.635 nan 8.230 nan 0.000 0.573 1289 A N -0.603 122.251 122.820 0.057 0.000 2.132 1289 A HA 0.153 4.473 4.320 -0.000 0.000 0.213 1289 A C 0.959 178.425 177.584 -0.197 0.000 1.154 1289 A CA 0.202 52.190 52.037 -0.083 0.000 0.753 1289 A CB -0.568 18.337 19.000 -0.157 0.000 0.826 1289 A HN 0.844 nan 8.150 nan 0.000 0.469 1290 H N -0.021 119.041 119.070 -0.012 0.000 2.525 1290 H HA 0.161 4.717 4.556 -0.000 0.000 0.339 1290 H C -1.609 173.704 175.328 -0.025 0.000 1.109 1290 H CA -1.419 54.618 56.048 -0.018 0.000 1.352 1290 H CB 1.119 30.869 29.762 -0.020 0.000 1.461 1290 H HN 0.165 nan 8.280 nan 0.000 0.533 1291 P HA -0.131 nan 4.420 nan 0.000 0.221 1291 P C 0.781 178.090 177.300 0.016 0.000 1.150 1291 P CA 1.049 64.164 63.100 0.025 0.000 0.800 1291 P CB 0.368 32.076 31.700 0.013 0.000 0.787 1292 N N -0.336 118.383 118.700 0.032 0.000 2.336 1292 N HA 0.016 4.756 4.740 -0.000 0.000 0.189 1292 N C 0.285 175.782 175.510 -0.022 0.000 1.113 1292 N CA 0.142 53.190 53.050 -0.004 0.000 0.858 1292 N CB -0.031 38.452 38.487 -0.007 0.000 0.970 1292 N HN 0.108 nan 8.380 nan 0.000 0.471 1293 I N 1.963 122.530 120.570 -0.005 0.000 2.336 1293 I HA 0.261 4.431 4.170 -0.000 0.000 0.292 1293 I C -0.368 175.715 176.117 -0.058 0.000 0.991 1293 I CA -0.788 60.493 61.300 -0.031 0.000 1.227 1293 I CB 1.584 39.578 38.000 -0.010 0.000 1.366 1293 I HN -0.079 nan 8.210 nan 0.000 0.466 1294 L N 8.663 129.840 121.223 -0.077 0.000 2.283 1294 L HA 0.417 4.757 4.340 -0.000 0.000 0.281 1294 L C -2.215 174.601 176.870 -0.090 0.000 1.033 1294 L CA -1.888 52.877 54.840 -0.124 0.000 0.848 1294 L CB 0.703 42.637 42.059 -0.208 0.000 1.226 1294 L HN 0.269 nan 8.230 nan 0.000 0.429 1295 P HA 0.334 nan 4.420 nan 0.000 0.290 1295 P C -0.590 176.574 177.300 -0.227 0.000 1.276 1295 P CA -0.202 62.742 63.100 -0.261 0.000 0.808 1295 P CB 1.966 33.329 31.700 -0.562 0.000 0.966 1296 S N 1.712 117.384 115.700 -0.047 0.000 2.671 1296 S HA 0.745 5.215 4.470 -0.000 0.000 0.299 1296 S C -0.465 174.244 174.600 0.183 0.000 1.116 1296 S CA -0.709 57.578 58.200 0.144 0.000 0.912 1296 S CB 1.242 64.703 63.200 0.434 0.000 1.130 1296 S HN 0.328 nan 8.310 nan 0.000 0.501 1297 S N 1.155 117.065 115.700 0.350 0.000 2.536 1297 S HA 0.771 5.241 4.470 -0.000 0.000 0.298 1297 S C -0.167 174.579 174.600 0.244 0.000 1.083 1297 S CA -0.794 57.646 58.200 0.401 0.000 0.995 1297 S CB 1.701 65.278 63.200 0.628 0.000 1.058 1297 S HN 0.981 nan 8.310 nan 0.000 0.488 1298 T N 0.122 114.792 114.554 0.194 0.000 2.902 1298 T HA 0.293 4.643 4.350 -0.000 0.000 0.280 1298 T C 0.993 175.726 174.700 0.054 0.000 0.992 1298 T CA -0.801 61.334 62.100 0.058 0.000 1.015 1298 T CB 0.448 69.317 68.868 0.002 0.000 1.044 1298 T HN 0.593 nan 8.240 nan 0.000 0.520 1299 N N -0.233 118.459 118.700 -0.013 0.000 2.463 1299 N HA 0.084 4.824 4.740 -0.000 0.000 0.181 1299 N C -1.594 173.922 175.510 0.010 0.000 1.078 1299 N CA -0.419 52.626 53.050 -0.009 0.000 0.902 1299 N CB -1.385 37.073 38.487 -0.050 0.000 0.970 1299 N HN 0.373 nan 8.380 nan 0.000 0.451 1300 P HA -0.058 nan 4.420 nan 0.000 0.220 1300 P C 0.869 178.275 177.300 0.177 0.000 1.148 1300 P CA 1.641 64.784 63.100 0.072 0.000 0.803 1300 P CB -0.216 31.501 31.700 0.028 0.000 0.782 1301 T N -4.120 110.522 114.554 0.147 0.000 3.129 1301 T HA 0.182 4.532 4.350 -0.000 0.000 0.251 1301 T C 0.450 175.202 174.700 0.086 0.000 1.117 1301 T CA 0.107 62.262 62.100 0.092 0.000 1.034 1301 T CB -0.628 68.259 68.868 0.031 0.000 0.968 1301 T HN -0.041 nan 8.240 nan 0.000 0.526 1302 L N 3.079 124.346 121.223 0.073 0.000 2.294 1302 L HA 0.531 4.871 4.340 -0.000 0.000 0.283 1302 L C -2.475 174.420 176.870 0.043 0.000 1.015 1302 L CA -2.320 52.550 54.840 0.050 0.000 0.831 1302 L CB 1.931 43.993 42.059 0.005 0.000 1.217 1302 L HN -0.021 nan 8.230 nan 0.000 0.420 1303 P HA 0.127 nan 4.420 nan 0.000 0.289 1303 P C -1.329 176.061 177.300 0.150 0.000 1.300 1303 P CA -0.723 62.436 63.100 0.098 0.000 0.828 1303 P CB 1.097 32.851 31.700 0.091 0.000 1.235 1304 Y N 1.521 121.830 120.300 0.015 0.000 2.605 1304 Y HA 0.298 4.848 4.550 -0.000 0.000 0.336 1304 Y C 0.304 176.213 175.900 0.015 0.000 1.111 1304 Y CA 0.254 58.358 58.100 0.006 0.000 1.422 1304 Y CB -0.722 37.738 38.460 -0.001 0.000 1.193 1304 Y HN 0.387 nan 8.280 nan 0.000 0.526 1305 T N 2.652 117.150 114.554 -0.095 0.000 2.858 1305 T HA 0.403 4.753 4.350 -0.000 0.000 0.285 1305 T C 1.051 175.610 174.700 -0.234 0.000 1.052 1305 T CA -0.824 61.160 62.100 -0.193 0.000 1.009 1305 T CB 0.825 69.663 68.868 -0.050 0.000 1.241 1305 T HN 0.567 nan 8.240 nan 0.000 0.542 1306 L N 0.528 121.651 121.223 -0.166 0.000 2.042 1306 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 1306 L C 2.261 179.109 176.870 -0.037 0.000 1.076 1306 L CA 1.314 56.087 54.840 -0.111 0.000 0.749 1306 L CB -0.546 41.470 42.059 -0.072 0.000 0.893 1306 L HN 0.664 nan 8.230 nan 0.000 0.432 1307 N N -1.129 117.565 118.700 -0.011 0.000 2.336 1307 N HA -0.025 4.715 4.740 -0.000 0.000 0.189 1307 N C 1.604 177.152 175.510 0.064 0.000 1.113 1307 N CA 0.582 53.645 53.050 0.021 0.000 0.858 1307 N CB 0.191 38.686 38.487 0.013 0.000 0.970 1307 N HN 0.285 nan 8.380 nan 0.000 0.471 1308 T N 2.279 116.886 114.554 0.088 0.000 2.607 1308 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 1308 T C 2.002 176.807 174.700 0.174 0.000 1.049 1308 T CA 0.824 63.017 62.100 0.156 0.000 1.162 1308 T CB 0.007 68.985 68.868 0.184 0.000 0.863 1308 T HN 0.103 nan 8.240 nan 0.000 0.424 1309 I N 1.987 122.625 120.570 0.112 0.000 2.127 1309 I HA -0.162 4.008 4.170 -0.000 0.000 0.241 1309 I C 2.283 178.458 176.117 0.096 0.000 1.075 1309 I CA 1.485 62.826 61.300 0.068 0.000 1.334 1309 I CB -1.343 36.698 38.000 0.067 0.000 1.040 1309 I HN 0.233 nan 8.210 nan 0.000 0.405 1310 D N 0.929 121.376 120.400 0.078 0.000 2.133 1310 D HA -0.241 4.399 4.640 -0.000 0.000 0.195 1310 D C 1.993 178.324 176.300 0.052 0.000 0.997 1310 D CA 1.749 55.781 54.000 0.054 0.000 0.840 1310 D CB -0.186 40.635 40.800 0.035 0.000 0.947 1310 D HN 0.657 nan 8.370 nan 0.000 0.452 1311 E N -0.509 119.733 120.200 0.070 0.000 2.358 1311 E HA -0.128 4.221 4.350 -0.000 0.000 0.195 1311 E C 1.592 178.175 176.600 -0.029 0.000 1.010 1311 E CA 0.741 57.148 56.400 0.011 0.000 0.856 1311 E CB -0.250 29.440 29.700 -0.017 0.000 0.795 1311 E HN 0.325 nan 8.360 nan 0.000 0.504 1312 H N 0.187 119.232 119.070 -0.040 0.000 2.357 1312 H HA -0.012 4.544 4.556 -0.000 0.000 0.301 1312 H C 1.792 177.077 175.328 -0.071 0.000 1.082 1312 H CA 1.407 57.421 56.048 -0.057 0.000 1.342 1312 H CB -0.037 29.695 29.762 -0.050 0.000 1.389 1312 H HN 0.148 nan 8.280 nan 0.000 0.511 1313 L N 0.784 122.032 121.223 0.042 0.000 1.971 1313 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 1313 L C 1.536 178.373 176.870 -0.056 0.000 1.072 1313 L CA 2.014 56.845 54.840 -0.015 0.000 0.758 1313 L CB -0.520 41.532 42.059 -0.012 0.000 0.889 1313 L HN 0.286 nan 8.230 nan 0.000 0.433 1314 D N -1.035 119.328 120.400 -0.061 0.000 2.178 1314 D HA -0.215 4.425 4.640 -0.000 0.000 0.202 1314 D C 2.171 178.400 176.300 -0.117 0.000 0.974 1314 D CA 1.470 55.423 54.000 -0.079 0.000 0.841 1314 D CB -0.047 40.712 40.800 -0.069 0.000 0.953 1314 D HN 0.479 nan 8.370 nan 0.000 0.478 1315 M N 0.552 120.064 119.600 -0.147 0.000 2.086 1315 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 1315 M C 2.033 178.213 176.300 -0.199 0.000 1.067 1315 M CA 1.017 56.195 55.300 -0.203 0.000 1.116 1315 M CB 0.007 32.434 32.600 -0.288 0.000 1.348 1315 M HN -0.024 nan 8.290 nan 0.000 0.407 1316 L N 1.272 122.406 121.223 -0.149 0.000 1.989 1316 L HA -0.259 4.081 4.340 -0.000 0.000 0.211 1316 L C 2.328 179.137 176.870 -0.101 0.000 1.071 1316 L CA 2.082 56.864 54.840 -0.097 0.000 0.749 1316 L CB -1.165 40.840 42.059 -0.090 0.000 0.890 1316 L HN 0.453 nan 8.230 nan 0.000 0.431 1317 M N -1.292 118.241 119.600 -0.111 0.000 2.065 1317 M HA -0.209 4.271 4.480 -0.000 0.000 0.259 1317 M C 2.256 178.480 176.300 -0.127 0.000 1.069 1317 M CA 1.616 56.860 55.300 -0.094 0.000 1.110 1317 M CB -1.111 31.446 32.600 -0.072 0.000 1.328 1317 M HN 0.136 nan 8.290 nan 0.000 0.405 1318 V N 0.141 119.957 119.914 -0.163 0.000 2.295 1318 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 1318 V C 2.675 178.557 176.094 -0.353 0.000 1.049 1318 V CA 1.962 64.139 62.300 -0.206 0.000 1.024 1318 V CB -0.866 30.840 31.823 -0.194 0.000 0.648 1318 V HN 0.693 nan 8.190 nan 0.000 0.447 1319 C N 0.407 119.459 119.300 -0.413 0.000 2.413 1319 C HA -0.211 4.249 4.460 -0.000 0.000 0.277 1319 C C 2.525 177.016 174.990 -0.832 0.000 1.228 1319 C CA 1.260 59.909 59.018 -0.615 0.000 1.731 1319 C CB -1.301 26.031 27.740 -0.680 0.000 2.042 1319 C HN 0.687 nan 8.230 nan 0.000 0.468 1320 H N -0.266 118.584 119.070 -0.367 0.000 2.524 1320 H HA 0.135 4.691 4.556 -0.000 0.000 0.280 1320 H C 0.153 175.341 175.328 -0.233 0.000 1.018 1320 H CA 0.732 56.603 56.048 -0.294 0.000 1.165 1320 H CB -0.653 29.057 29.762 -0.086 0.000 1.411 1320 H HN 0.686 nan 8.280 nan 0.000 0.569 1321 H N -0.666 118.417 119.070 0.022 0.000 2.756 1321 H HA -0.155 4.401 4.556 -0.000 0.000 0.315 1321 H C -0.016 175.338 175.328 0.042 0.000 1.210 1321 H CA 0.349 56.407 56.048 0.015 0.000 1.150 1321 H CB -2.343 27.424 29.762 0.008 0.000 1.463 1321 H HN 0.338 nan 8.280 nan 0.000 0.427 1322 L N 0.566 121.844 121.223 0.092 0.000 2.360 1322 L HA 0.341 4.681 4.340 -0.000 0.000 0.271 1322 L C 0.978 177.884 176.870 0.059 0.000 1.057 1322 L CA -0.445 54.453 54.840 0.096 0.000 0.803 1322 L CB 1.178 43.284 42.059 0.078 0.000 1.207 1322 L HN 0.025 nan 8.230 nan 0.000 0.445 1323 D N 3.124 123.561 120.400 0.062 0.000 2.373 1323 D HA 0.201 4.841 4.640 -0.000 0.000 0.227 1323 D C -1.640 174.680 176.300 0.032 0.000 1.091 1323 D CA -1.989 52.035 54.000 0.041 0.000 0.840 1323 D CB 1.889 42.714 40.800 0.041 0.000 1.060 1323 D HN 0.216 nan 8.370 nan 0.000 0.502 1324 P HA -0.077 nan 4.420 nan 0.000 0.225 1324 P C 0.364 177.674 177.300 0.015 0.000 1.148 1324 P CA 0.620 63.726 63.100 0.010 0.000 0.779 1324 P CB 0.687 32.387 31.700 -0.001 0.000 0.780 1325 D N -0.269 120.141 120.400 0.018 0.000 2.333 1325 D HA 0.102 4.742 4.640 -0.000 0.000 0.208 1325 D C 0.961 177.275 176.300 0.023 0.000 0.984 1325 D CA 0.325 54.335 54.000 0.017 0.000 0.873 1325 D CB 0.239 41.047 40.800 0.014 0.000 0.935 1325 D HN 0.294 nan 8.370 nan 0.000 0.521 1326 I N 1.484 122.072 120.570 0.030 0.000 2.291 1326 I HA 0.126 4.295 4.170 -0.000 0.000 0.292 1326 I C 1.554 177.698 176.117 0.044 0.000 1.064 1326 I CA -0.553 60.769 61.300 0.036 0.000 1.269 1326 I CB 1.716 39.742 38.000 0.043 0.000 1.418 1326 I HN -0.174 nan 8.210 nan 0.000 0.485 1327 A N 5.289 128.132 122.820 0.038 0.000 1.903 1327 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 1327 A C 2.016 179.637 177.584 0.060 0.000 1.191 1327 A CA 1.909 53.971 52.037 0.043 0.000 0.638 1327 A CB -0.347 18.674 19.000 0.035 0.000 0.823 1327 A HN 0.748 nan 8.150 nan 0.000 0.451 1328 E N 0.037 120.275 120.200 0.063 0.000 2.153 1328 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 1328 E C 1.514 178.204 176.600 0.151 0.000 0.988 1328 E CA 1.240 57.690 56.400 0.084 0.000 0.811 1328 E CB -0.253 29.477 29.700 0.050 0.000 0.746 1328 E HN 0.623 nan 8.360 nan 0.000 0.466 1329 D N -0.715 119.772 120.400 0.144 0.000 2.123 1329 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 1329 D C 2.027 178.413 176.300 0.142 0.000 0.976 1329 D CA 1.376 55.504 54.000 0.212 0.000 0.831 1329 D CB -0.120 40.764 40.800 0.139 0.000 0.974 1329 D HN 0.243 nan 8.370 nan 0.000 0.469 1330 V N -1.034 118.926 119.914 0.076 0.000 2.453 1330 V HA 0.027 4.147 4.120 -0.000 0.000 0.247 1330 V C 2.217 178.331 176.094 0.033 0.000 1.048 1330 V CA 1.425 63.741 62.300 0.026 0.000 1.049 1330 V CB -0.932 30.903 31.823 0.021 0.000 0.672 1330 V HN 0.098 nan 8.190 nan 0.000 0.457 1331 A N 0.795 123.664 122.820 0.080 0.000 1.902 1331 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 1331 A C 2.081 179.744 177.584 0.131 0.000 1.181 1331 A CA 1.954 54.047 52.037 0.093 0.000 0.623 1331 A CB -0.879 18.181 19.000 0.100 0.000 0.818 1331 A HN 0.833 nan 8.150 nan 0.000 0.443 1332 F N 0.830 120.783 119.950 0.005 0.000 2.325 1332 F HA 0.198 4.725 4.527 -0.000 0.000 0.299 1332 F C 2.135 177.925 175.800 -0.015 0.000 1.090 1332 F CA 0.694 58.690 58.000 -0.006 0.000 1.392 1332 F CB -0.452 38.540 39.000 -0.014 0.000 1.053 1332 F HN 0.208 nan 8.300 nan 0.000 0.521 1333 A N 0.678 123.274 122.820 -0.374 0.000 1.872 1333 A HA -0.088 4.232 4.320 -0.000 0.000 0.214 1333 A C 2.156 179.619 177.584 -0.202 0.000 1.187 1333 A CA 1.436 53.213 52.037 -0.433 0.000 0.614 1333 A CB -0.812 18.021 19.000 -0.278 0.000 0.826 1333 A HN 0.510 nan 8.150 nan 0.000 0.442 1334 E N 0.584 120.729 120.200 -0.092 0.000 2.153 1334 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 1334 E C 2.179 178.760 176.600 -0.031 0.000 0.988 1334 E CA 1.361 57.739 56.400 -0.038 0.000 0.811 1334 E CB -0.210 29.494 29.700 0.005 0.000 0.746 1334 E HN 0.774 nan 8.360 nan 0.000 0.466 1335 S N 0.599 116.290 115.700 -0.016 0.000 2.507 1335 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 1335 S C 1.773 176.317 174.600 -0.092 0.000 0.988 1335 S CA 0.550 58.739 58.200 -0.019 0.000 0.944 1335 S CB -0.035 63.200 63.200 0.059 0.000 0.762 1335 S HN 0.147 nan 8.310 nan 0.000 0.526 1336 R N 0.105 120.544 120.500 -0.103 0.000 2.254 1336 R HA 0.391 4.731 4.340 -0.000 0.000 0.195 1336 R C -0.124 176.100 176.300 -0.127 0.000 0.957 1336 R CA 0.313 56.342 56.100 -0.120 0.000 1.024 1336 R CB 0.056 30.267 30.300 -0.149 0.000 0.952 1336 R HN 0.438 nan 8.270 nan 0.000 0.484 1337 I N 1.894 122.395 120.570 -0.114 0.000 2.306 1337 I HA 0.237 4.407 4.170 -0.000 0.000 0.288 1337 I C -0.527 175.526 176.117 -0.106 0.000 1.036 1337 I CA -0.257 60.972 61.300 -0.118 0.000 1.221 1337 I CB 1.128 39.081 38.000 -0.077 0.000 1.385 1337 I HN -0.130 nan 8.210 nan 0.000 0.472 1338 R N 4.901 125.320 120.500 -0.134 0.000 2.502 1338 R HA 0.363 4.703 4.340 -0.000 0.000 0.300 1338 R C 0.789 177.017 176.300 -0.121 0.000 0.984 1338 R CA -0.831 55.214 56.100 -0.091 0.000 0.882 1338 R CB 2.239 32.456 30.300 -0.139 0.000 1.180 1338 R HN 0.496 nan 8.270 nan 0.000 0.444 1339 R N 1.791 122.238 120.500 -0.089 0.000 2.105 1339 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 1339 R C 0.580 176.730 176.300 -0.250 0.000 1.135 1339 R CA 1.947 57.937 56.100 -0.183 0.000 0.967 1339 R CB 0.268 30.540 30.300 -0.046 0.000 0.861 1339 R HN 0.578 nan 8.270 nan 0.000 0.442 1340 E N -0.458 119.683 120.200 -0.099 0.000 2.038 1340 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 1340 E C 2.034 178.567 176.600 -0.110 0.000 1.000 1340 E CA 2.334 58.693 56.400 -0.068 0.000 0.803 1340 E CB -0.319 29.409 29.700 0.047 0.000 0.750 1340 E HN 0.570 nan 8.360 nan 0.000 0.448 1341 T N -0.997 113.495 114.554 -0.103 0.000 2.904 1341 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 1341 T C 2.019 176.622 174.700 -0.162 0.000 1.059 1341 T CA 0.685 62.722 62.100 -0.105 0.000 1.137 1341 T CB -0.319 68.504 68.868 -0.076 0.000 0.879 1341 T HN 0.033 nan 8.240 nan 0.000 0.467 1342 I N 1.766 122.194 120.570 -0.237 0.000 2.226 1342 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 1342 I C 3.165 179.066 176.117 -0.359 0.000 1.100 1342 I CA 1.204 62.329 61.300 -0.292 0.000 1.374 1342 I CB -0.531 37.244 38.000 -0.375 0.000 1.057 1342 I HN 0.338 nan 8.210 nan 0.000 0.413 1343 A N 0.660 123.172 122.820 -0.515 0.000 1.898 1343 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 1343 A C 2.532 180.028 177.584 -0.145 0.000 1.181 1343 A CA 1.662 53.469 52.037 -0.383 0.000 0.620 1343 A CB -0.753 18.035 19.000 -0.354 0.000 0.819 1343 A HN 0.416 nan 8.150 nan 0.000 0.442 1344 A N -0.230 122.502 122.820 -0.147 0.000 1.933 1344 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 1344 A C 1.994 179.472 177.584 -0.177 0.000 1.175 1344 A CA 1.761 53.728 52.037 -0.117 0.000 0.628 1344 A CB -0.581 18.360 19.000 -0.098 0.000 0.814 1344 A HN 0.688 nan 8.150 nan 0.000 0.444 1345 E N 0.012 120.072 120.200 -0.234 0.000 2.114 1345 E HA -0.303 4.047 4.350 -0.000 0.000 0.199 1345 E C 1.250 177.715 176.600 -0.224 0.000 1.008 1345 E CA 1.708 57.871 56.400 -0.395 0.000 0.810 1345 E CB -0.204 29.344 29.700 -0.253 0.000 0.739 1345 E HN 0.555 nan 8.360 nan 0.000 0.456 1346 D N -0.064 120.307 120.400 -0.049 0.000 2.104 1346 D HA -0.149 4.491 4.640 -0.000 0.000 0.194 1346 D C 2.079 178.424 176.300 0.075 0.000 0.994 1346 D CA 1.371 55.411 54.000 0.068 0.000 0.830 1346 D CB -0.286 40.570 40.800 0.093 0.000 0.959 1346 D HN 0.137 nan 8.370 nan 0.000 0.452 1347 V N 0.934 120.857 119.914 0.015 0.000 2.343 1347 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 1347 V C 2.611 178.701 176.094 -0.006 0.000 1.051 1347 V CA 1.035 63.351 62.300 0.026 0.000 1.036 1347 V CB -0.497 31.331 31.823 0.008 0.000 0.654 1347 V HN 0.204 nan 8.190 nan 0.000 0.451 1348 L N -0.842 120.308 121.223 -0.122 0.000 2.191 1348 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 1348 L C 2.461 179.249 176.870 -0.137 0.000 1.103 1348 L CA 1.669 56.404 54.840 -0.176 0.000 0.769 1348 L CB -0.666 41.150 42.059 -0.405 0.000 0.908 1348 L HN 0.422 nan 8.230 nan 0.000 0.438 1349 H N -1.120 117.870 119.070 -0.133 0.000 2.363 1349 H HA -0.172 4.384 4.556 -0.000 0.000 0.301 1349 H C 1.939 177.189 175.328 -0.129 0.000 1.074 1349 H CA 1.528 57.517 56.048 -0.099 0.000 1.354 1349 H CB 0.197 29.909 29.762 -0.083 0.000 1.397 1349 H HN 0.188 nan 8.280 nan 0.000 0.516 1350 D N 0.010 120.507 120.400 0.163 0.000 2.178 1350 D HA -0.110 4.530 4.640 -0.000 0.000 0.201 1350 D C 1.639 178.023 176.300 0.139 0.000 0.980 1350 D CA 0.753 54.887 54.000 0.224 0.000 0.842 1350 D CB 0.002 40.953 40.800 0.251 0.000 0.948 1350 D HN 0.326 nan 8.370 nan 0.000 0.472 1351 L N -1.384 119.892 121.223 0.088 0.000 2.492 1351 L HA 0.214 4.554 4.340 -0.000 0.000 0.223 1351 L C 1.581 178.498 176.870 0.078 0.000 1.132 1351 L CA 0.510 55.400 54.840 0.084 0.000 0.850 1351 L CB -0.026 42.068 42.059 0.057 0.000 0.966 1351 L HN 0.234 nan 8.230 nan 0.000 0.454 1352 G N -0.372 108.455 108.800 0.044 0.000 2.132 1352 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.234 1352 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.234 1352 G C 0.893 175.821 174.900 0.046 0.000 0.989 1352 G CA 0.379 45.502 45.100 0.039 0.000 0.676 1352 G HN 0.406 nan 8.290 nan 0.000 0.522 1353 A N -0.960 121.896 122.820 0.061 0.000 1.975 1353 A HA 0.618 4.938 4.320 -0.000 0.000 0.215 1353 A C 0.663 178.357 177.584 0.184 0.000 1.170 1353 A CA 0.811 52.915 52.037 0.112 0.000 0.656 1353 A CB 0.049 19.129 19.000 0.133 0.000 0.821 1353 A HN 0.597 nan 8.150 nan 0.000 0.449 1354 F N 0.028 119.832 119.950 -0.243 0.000 2.415 1354 F HA 0.410 4.937 4.527 -0.000 0.000 0.348 1354 F C 1.178 176.832 175.800 -0.244 0.000 1.119 1354 F CA -0.973 56.809 58.000 -0.363 0.000 1.069 1354 F CB 1.898 40.344 39.000 -0.924 0.000 1.124 1354 F HN -0.009 nan 8.300 nan 0.000 0.472 1355 S N 2.572 118.248 115.700 -0.041 0.000 2.503 1355 S HA 0.293 4.763 4.470 -0.000 0.000 0.215 1355 S C -0.052 174.568 174.600 0.034 0.000 1.003 1355 S CA 0.113 58.304 58.200 -0.014 0.000 0.910 1355 S CB 0.242 63.404 63.200 -0.062 0.000 0.790 1355 S HN 0.253 nan 8.310 nan 0.000 0.514 1356 L N 1.266 122.550 121.223 0.101 0.000 2.350 1356 L HA 0.594 4.934 4.340 -0.000 0.000 0.260 1356 L C -0.171 176.866 176.870 0.278 0.000 1.015 1356 L CA -0.387 54.540 54.840 0.146 0.000 0.821 1356 L CB 1.864 43.976 42.059 0.089 0.000 1.370 1356 L HN 0.027 nan 8.230 nan 0.000 0.416 1357 T N -2.094 112.583 114.554 0.205 0.000 2.876 1357 T HA 0.927 5.277 4.350 -0.000 0.000 0.289 1357 T C -0.426 174.352 174.700 0.130 0.000 1.014 1357 T CA -0.543 61.655 62.100 0.164 0.000 0.986 1357 T CB 1.824 70.725 68.868 0.056 0.000 1.021 1357 T HN 0.779 nan 8.240 nan 0.000 0.458 1358 S N 0.665 116.418 115.700 0.088 0.000 2.776 1358 S HA 0.705 5.175 4.470 -0.000 0.000 0.292 1358 S C 0.891 175.467 174.600 -0.041 0.000 1.187 1358 S CA -0.068 58.154 58.200 0.038 0.000 0.834 1358 S CB 1.171 64.411 63.200 0.067 0.000 1.199 1358 S HN 1.125 nan 8.310 nan 0.000 0.514 1359 S N 0.090 115.731 115.700 -0.098 0.000 2.431 1359 S HA 0.267 4.737 4.470 -0.000 0.000 0.210 1359 S C 0.268 174.711 174.600 -0.261 0.000 1.013 1359 S CA 1.148 59.258 58.200 -0.150 0.000 0.920 1359 S CB -0.781 62.336 63.200 -0.138 0.000 0.882 1359 S HN 1.269 nan 8.310 nan 0.000 0.567 1360 D N 1.525 121.699 120.400 -0.376 0.000 2.865 1360 D HA -0.126 4.514 4.640 -0.000 0.000 0.231 1360 D C -0.416 175.713 176.300 -0.285 0.000 1.069 1360 D CA 0.702 54.352 54.000 -0.582 0.000 0.761 1360 D CB -1.911 38.471 40.800 -0.696 0.000 1.081 1360 D HN 0.668 nan 8.370 nan 0.000 0.440 1361 S N 0.786 116.384 115.700 -0.170 0.000 2.885 1361 S HA -0.015 4.455 4.470 -0.000 0.000 0.334 1361 S C 1.062 175.553 174.600 -0.181 0.000 1.224 1361 S CA 1.050 59.157 58.200 -0.155 0.000 1.080 1361 S CB 0.853 63.969 63.200 -0.139 0.000 0.801 1361 S HN 0.454 nan 8.310 nan 0.000 0.510 1362 Q N 0.116 119.801 119.800 -0.192 0.000 2.450 1362 Q HA -0.286 4.054 4.340 -0.000 0.000 0.255 1362 Q C 0.309 176.127 176.000 -0.303 0.000 1.003 1362 Q CA 1.067 56.751 55.803 -0.200 0.000 1.097 1362 Q CB -1.993 26.676 28.738 -0.115 0.000 1.544 1362 Q HN 1.227 nan 8.270 nan 0.000 0.531 1363 A N 0.149 122.715 122.820 -0.423 0.000 3.415 1363 A HA 0.568 4.888 4.320 -0.000 0.000 0.244 1363 A C 0.370 177.693 177.584 -0.434 0.000 0.988 1363 A CA 0.101 51.801 52.037 -0.562 0.000 0.991 1363 A CB 0.426 18.748 19.000 -1.131 0.000 1.240 1363 A HN 0.344 nan 8.150 nan 0.000 0.541 1364 M N -1.217 118.180 119.600 -0.339 0.000 2.665 1364 M HA -0.146 4.333 4.480 -0.000 0.000 0.217 1364 M C 0.201 176.356 176.300 -0.241 0.000 0.487 1364 M CA 0.997 56.132 55.300 -0.274 0.000 0.657 1364 M CB -1.484 30.986 32.600 -0.216 0.000 2.412 1364 M HN 1.279 nan 8.290 nan 0.000 0.767 1365 G N 0.567 109.223 108.800 -0.240 0.000 2.556 1365 G HA2 0.644 4.604 3.960 -0.000 0.000 0.294 1365 G HA3 0.644 4.604 3.960 -0.000 0.000 0.294 1365 G C -1.386 173.405 174.900 -0.181 0.000 1.516 1365 G CA -1.160 43.818 45.100 -0.203 0.000 0.824 1365 G HN 0.260 nan 8.290 nan 0.000 0.535 1366 R N 1.750 122.160 120.500 -0.149 0.000 2.288 1366 R HA 0.395 4.735 4.340 -0.000 0.000 0.326 1366 R C 1.030 177.256 176.300 -0.123 0.000 0.959 1366 R CA -0.738 55.281 56.100 -0.135 0.000 0.834 1366 R CB 2.081 32.303 30.300 -0.130 0.000 1.157 1366 R HN 0.325 nan 8.270 nan 0.000 0.470 1367 V N 2.882 122.726 119.914 -0.117 0.000 2.453 1367 V HA -0.165 3.955 4.120 -0.000 0.000 0.252 1367 V C 1.498 177.539 176.094 -0.087 0.000 1.068 1367 V CA 2.569 64.807 62.300 -0.104 0.000 1.070 1367 V CB -0.095 31.672 31.823 -0.094 0.000 0.664 1367 V HN 1.007 nan 8.190 nan 0.000 0.461 1368 G N -1.450 107.299 108.800 -0.086 0.000 3.284 1368 G HA2 0.109 4.069 3.960 -0.000 0.000 0.236 1368 G HA3 0.109 4.069 3.960 -0.000 0.000 0.236 1368 G C 0.777 175.630 174.900 -0.077 0.000 1.158 1368 G CA 0.088 45.144 45.100 -0.073 0.000 0.774 1368 G HN 0.609 nan 8.290 nan 0.000 0.545 1369 E N 0.029 120.171 120.200 -0.097 0.000 2.734 1369 E HA 0.155 4.505 4.350 -0.000 0.000 0.211 1369 E C 1.445 177.977 176.600 -0.113 0.000 0.991 1369 E CA -0.244 56.096 56.400 -0.099 0.000 1.065 1369 E CB 1.111 30.744 29.700 -0.112 0.000 1.047 1369 E HN 0.188 nan 8.360 nan 0.000 0.470 1370 V N 0.780 120.614 119.914 -0.133 0.000 2.270 1370 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 1370 V C 2.155 178.079 176.094 -0.285 0.000 1.043 1370 V CA 1.546 63.746 62.300 -0.166 0.000 1.014 1370 V CB -0.257 31.479 31.823 -0.145 0.000 0.645 1370 V HN 0.357 nan 8.190 nan 0.000 0.447 1371 I N -0.306 120.029 120.570 -0.391 0.000 2.163 1371 I HA -0.251 3.919 4.170 -0.000 0.000 0.240 1371 I C 2.471 178.441 176.117 -0.245 0.000 1.081 1371 I CA 1.645 62.585 61.300 -0.599 0.000 1.353 1371 I CB -0.396 37.308 38.000 -0.494 0.000 1.054 1371 I HN 0.287 nan 8.210 nan 0.000 0.407 1372 L N 1.044 122.200 121.223 -0.112 0.000 1.990 1372 L HA -0.283 4.057 4.340 -0.000 0.000 0.213 1372 L C 2.839 179.704 176.870 -0.009 0.000 1.072 1372 L CA 1.822 56.653 54.840 -0.016 0.000 0.755 1372 L CB -0.297 41.761 42.059 -0.001 0.000 0.889 1372 L HN 0.138 nan 8.230 nan 0.000 0.432 1373 R N -1.182 119.281 120.500 -0.063 0.000 2.148 1373 R HA -0.101 4.239 4.340 -0.000 0.000 0.227 1373 R C 2.098 178.354 176.300 -0.074 0.000 1.103 1373 R CA 1.636 57.706 56.100 -0.050 0.000 0.983 1373 R CB -0.466 29.801 30.300 -0.055 0.000 0.874 1373 R HN 0.445 nan 8.270 nan 0.000 0.451 1374 T N -0.221 114.234 114.554 -0.166 0.000 2.746 1374 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 1374 T C 1.192 175.729 174.700 -0.271 0.000 1.039 1374 T CA 1.225 63.187 62.100 -0.230 0.000 1.142 1374 T CB -0.176 68.501 68.868 -0.318 0.000 0.866 1374 T HN 0.450 nan 8.240 nan 0.000 0.444 1375 W N 1.463 122.772 121.300 0.014 0.000 2.467 1375 W HA 0.048 4.708 4.660 -0.000 0.000 0.275 1375 W C 2.579 179.065 176.519 -0.054 0.000 1.239 1375 W CA -0.065 57.260 57.345 -0.034 0.000 1.266 1375 W CB -0.162 29.281 29.460 -0.029 0.000 1.112 1375 W HN 0.300 nan 8.180 nan 0.000 0.576 1376 Q N -0.082 119.799 119.800 0.135 0.000 2.123 1376 Q HA -0.152 4.188 4.340 -0.000 0.000 0.199 1376 Q C 2.135 178.195 176.000 0.099 0.000 0.966 1376 Q CA 1.462 57.326 55.803 0.101 0.000 0.845 1376 Q CB -0.386 28.385 28.738 0.056 0.000 0.907 1376 Q HN 0.178 nan 8.270 nan 0.000 0.439 1377 V N 0.882 120.819 119.914 0.038 0.000 2.307 1377 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 1377 V C 2.275 178.339 176.094 -0.050 0.000 1.045 1377 V CA 1.792 64.118 62.300 0.044 0.000 1.024 1377 V CB -0.985 30.889 31.823 0.085 0.000 0.651 1377 V HN 0.386 nan 8.190 nan 0.000 0.449 1378 A N -0.148 122.471 122.820 -0.334 0.000 1.883 1378 A HA -0.336 3.984 4.320 -0.000 0.000 0.217 1378 A C 2.116 179.608 177.584 -0.153 0.000 1.186 1378 A CA 2.549 54.193 52.037 -0.655 0.000 0.624 1378 A CB -0.916 17.592 19.000 -0.820 0.000 0.822 1378 A HN 0.795 nan 8.150 nan 0.000 0.444 1379 H N -0.689 118.336 119.070 -0.075 0.000 2.293 1379 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 1379 H C 2.235 177.563 175.328 -0.001 0.000 1.082 1379 H CA 1.964 58.004 56.048 -0.012 0.000 1.308 1379 H CB -0.023 29.748 29.762 0.015 0.000 1.375 1379 H HN 0.231 nan 8.280 nan 0.000 0.495 1380 R N -0.247 120.270 120.500 0.028 0.000 2.120 1380 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 1380 R C 2.183 178.460 176.300 -0.038 0.000 1.123 1380 R CA 1.147 57.238 56.100 -0.014 0.000 0.975 1380 R CB -0.286 30.066 30.300 0.087 0.000 0.866 1380 R HN 0.478 nan 8.270 nan 0.000 0.446 1381 M N 0.284 119.877 119.600 -0.010 0.000 2.200 1381 M HA -0.079 4.400 4.480 -0.000 0.000 0.265 1381 M C 2.108 178.407 176.300 -0.002 0.000 1.066 1381 M CA 1.210 56.526 55.300 0.026 0.000 1.127 1381 M CB -0.646 32.011 32.600 0.095 0.000 1.379 1381 M HN 0.042 nan 8.290 nan 0.000 0.420 1382 K N 0.394 120.766 120.400 -0.045 0.000 2.057 1382 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 1382 K C 1.834 178.395 176.600 -0.064 0.000 1.050 1382 K CA 1.183 57.449 56.287 -0.035 0.000 0.935 1382 K CB 0.051 32.528 32.500 -0.038 0.000 0.715 1382 K HN 0.071 nan 8.250 nan 0.000 0.439 1383 V N 1.625 121.449 119.914 -0.149 0.000 2.332 1383 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 1383 V C 2.241 178.300 176.094 -0.058 0.000 1.055 1383 V CA 1.980 64.197 62.300 -0.139 0.000 1.038 1383 V CB -0.397 31.284 31.823 -0.237 0.000 0.651 1383 V HN 0.453 nan 8.190 nan 0.000 0.450 1384 Q N -0.944 118.835 119.800 -0.036 0.000 2.297 1384 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 1384 Q C 2.152 178.159 176.000 0.010 0.000 0.931 1384 Q CA 0.682 56.483 55.803 -0.004 0.000 0.885 1384 Q CB 0.129 28.875 28.738 0.013 0.000 0.991 1384 Q HN 0.570 nan 8.270 nan 0.000 0.498 1385 R N -0.282 120.229 120.500 0.017 0.000 2.404 1385 R HA 0.252 4.592 4.340 -0.000 0.000 0.237 1385 R C 0.694 177.012 176.300 0.030 0.000 0.907 1385 R CA 0.422 56.540 56.100 0.030 0.000 1.063 1385 R CB 1.122 31.452 30.300 0.049 0.000 1.134 1385 R HN 0.201 nan 8.270 nan 0.000 0.529 1386 G N 1.542 110.355 108.800 0.022 0.000 2.553 1386 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 1386 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 1386 G C -0.298 174.629 174.900 0.044 0.000 1.277 1386 G CA -0.402 44.713 45.100 0.025 0.000 0.910 1386 G HN 0.417 nan 8.290 nan 0.000 0.576 1387 A N -0.539 122.308 122.820 0.045 0.000 2.407 1387 A HA 0.658 4.978 4.320 -0.000 0.000 0.248 1387 A C 0.862 178.490 177.584 0.075 0.000 1.082 1387 A CA 0.090 52.164 52.037 0.063 0.000 0.785 1387 A CB 0.189 19.218 19.000 0.048 0.000 1.020 1387 A HN 1.181 nan 8.150 nan 0.000 0.489 1388 L N 1.193 122.483 121.223 0.112 0.000 2.453 1388 L HA 0.272 4.612 4.340 -0.000 0.000 0.261 1388 L C 1.812 178.715 176.870 0.054 0.000 1.179 1388 L CA -0.013 54.900 54.840 0.123 0.000 0.813 1388 L CB 0.807 43.009 42.059 0.238 0.000 1.110 1388 L HN 0.895 nan 8.230 nan 0.000 0.466 1389 A N 1.152 123.987 122.820 0.024 0.000 2.019 1389 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 1389 A C 1.775 179.301 177.584 -0.097 0.000 1.164 1389 A CA 1.316 53.338 52.037 -0.024 0.000 0.644 1389 A CB -0.364 18.624 19.000 -0.019 0.000 0.805 1389 A HN 0.864 nan 8.150 nan 0.000 0.449 1390 E N -0.051 120.031 120.200 -0.197 0.000 2.481 1390 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 1390 E C 0.385 176.776 176.600 -0.349 0.000 1.047 1390 E CA 0.061 56.186 56.400 -0.457 0.000 0.867 1390 E CB 0.065 29.061 29.700 -1.175 0.000 0.858 1390 E HN 0.566 nan 8.360 nan 0.000 0.513 1391 E N 1.310 121.446 120.200 -0.108 0.000 2.344 1391 E HA 0.073 4.422 4.350 -0.000 0.000 0.270 1391 E C -0.513 176.081 176.600 -0.010 0.000 1.021 1391 E CA -0.037 56.371 56.400 0.013 0.000 0.887 1391 E CB 0.508 30.256 29.700 0.081 0.000 0.997 1391 E HN 0.081 nan 8.360 nan 0.000 0.429 1392 T N 1.224 115.785 114.554 0.011 0.000 2.887 1392 T HA 0.788 5.138 4.350 -0.000 0.000 0.288 1392 T C 0.425 175.138 174.700 0.021 0.000 1.021 1392 T CA -0.353 61.750 62.100 0.005 0.000 1.000 1392 T CB 1.516 70.384 68.868 0.000 0.000 1.034 1392 T HN 0.802 nan 8.240 nan 0.000 0.467 1393 G N 1.397 110.203 108.800 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 -0.680 174.222 174.900 0.004 0.000 1.439 1393 G CA -0.232 44.872 45.100 0.007 0.000 0.879 1393 G HN 1.085 nan 8.290 nan 0.000 0.545 1394 D N 1.523 121.916 120.400 -0.011 0.000 2.639 1394 D HA 0.439 5.079 4.640 -0.000 0.000 0.233 1394 D C 0.720 177.006 176.300 -0.023 0.000 1.161 1394 D CA 0.367 54.350 54.000 -0.028 0.000 1.003 1394 D CB -0.433 40.331 40.800 -0.061 0.000 1.034 1394 D HN 0.716 nan 8.370 nan 0.000 0.514 1395 N N -0.140 118.572 118.700 0.020 0.000 3.116 1395 N HA 0.151 4.891 4.740 -0.000 0.000 0.244 1395 N C -1.042 174.521 175.510 0.089 0.000 1.485 1395 N CA -0.718 52.368 53.050 0.060 0.000 0.884 1395 N CB 1.104 39.629 38.487 0.063 0.000 1.415 1395 N HN -0.139 nan 8.380 nan 0.000 0.524 1396 D N -0.149 120.319 120.400 0.113 0.000 2.559 1396 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 1396 D C 0.250 176.613 176.300 0.105 0.000 1.226 1396 D CA -0.230 53.840 54.000 0.115 0.000 0.830 1396 D CB -0.023 40.846 40.800 0.115 0.000 1.028 1396 D HN 0.358 nan 8.370 nan 0.000 0.492 1397 N N 0.770 119.528 118.700 0.095 0.000 2.060 1397 N HA -0.198 4.542 4.740 -0.000 0.000 0.195 1397 N C 1.391 176.955 175.510 0.090 0.000 1.028 1397 N CA 0.891 53.986 53.050 0.075 0.000 0.861 1397 N CB -0.415 38.117 38.487 0.074 0.000 1.029 1397 N HN 0.277 nan 8.380 nan 0.000 0.428 1398 F N 1.452 121.410 119.950 0.014 0.000 2.146 1398 F HA -0.058 4.469 4.527 -0.000 0.000 0.298 1398 F C 2.559 178.383 175.800 0.040 0.000 1.096 1398 F CA 1.145 59.133 58.000 -0.020 0.000 1.275 1398 F CB -0.075 38.905 39.000 -0.033 0.000 1.008 1398 F HN -0.077 nan 8.300 nan 0.000 0.480 1399 R N 0.063 120.621 120.500 0.097 0.000 2.091 1399 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 1399 R C 2.015 178.427 176.300 0.186 0.000 1.136 1399 R CA 1.934 58.119 56.100 0.142 0.000 0.959 1399 R CB -0.648 29.772 30.300 0.200 0.000 0.856 1399 R HN 0.294 nan 8.270 nan 0.000 0.437 1400 V N 1.364 121.378 119.914 0.166 0.000 2.295 1400 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 1400 V C 2.196 178.438 176.094 0.246 0.000 1.049 1400 V CA 2.101 64.590 62.300 0.315 0.000 1.024 1400 V CB -0.410 31.483 31.823 0.118 0.000 0.648 1400 V HN 0.394 nan 8.190 nan 0.000 0.447 1401 K N -0.182 120.210 120.400 -0.012 0.000 2.057 1401 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 1401 K C 2.361 178.927 176.600 -0.057 0.000 1.049 1401 K CA 1.622 57.871 56.287 -0.063 0.000 0.931 1401 K CB -0.270 32.087 32.500 -0.238 0.000 0.714 1401 K HN 0.356 nan 8.250 nan 0.000 0.440 1402 R N 0.169 120.479 120.500 -0.316 0.000 2.081 1402 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 1402 R C 1.790 178.013 176.300 -0.128 0.000 1.131 1402 R CA 1.581 57.540 56.100 -0.236 0.000 0.960 1402 R CB -0.245 29.841 30.300 -0.357 0.000 0.856 1402 R HN 0.190 nan 8.270 nan 0.000 0.436 1403 Y N 0.179 120.399 120.300 -0.134 0.000 2.286 1403 Y HA -0.046 4.504 4.550 -0.000 0.000 0.293 1403 Y C 2.112 177.780 175.900 -0.386 0.000 1.124 1403 Y CA 1.122 59.062 58.100 -0.266 0.000 1.178 1403 Y CB -0.072 38.124 38.460 -0.439 0.000 1.010 1403 Y HN 0.098 nan 8.280 nan 0.000 0.536 1404 I N -0.536 119.981 120.570 -0.087 0.000 2.394 1404 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 1404 I C 2.301 178.175 176.117 -0.404 0.000 1.136 1404 I CA 1.101 62.242 61.300 -0.264 0.000 1.425 1404 I CB -0.119 37.966 38.000 0.142 0.000 1.079 1404 I HN 0.182 nan 8.210 nan 0.000 0.425 1405 A N 0.607 123.334 122.820 -0.155 0.000 2.019 1405 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 1405 A C 2.198 179.688 177.584 -0.157 0.000 1.164 1405 A CA 1.476 53.440 52.037 -0.122 0.000 0.644 1405 A CB -0.446 18.518 19.000 -0.059 0.000 0.805 1405 A HN 0.417 nan 8.150 nan 0.000 0.449 1406 K N -1.298 119.002 120.400 -0.168 0.000 2.147 1406 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 1406 K C 1.125 177.744 176.600 0.031 0.000 1.049 1406 K CA 1.762 58.012 56.287 -0.062 0.000 0.936 1406 K CB -0.275 32.200 32.500 -0.043 0.000 0.722 1406 K HN 0.917 nan 8.250 nan 0.000 0.446 1407 Y N -1.465 118.831 120.300 -0.005 0.000 2.612 1407 Y HA 0.284 4.834 4.550 -0.000 0.000 0.250 1407 Y C 1.107 177.045 175.900 0.064 0.000 1.175 1407 Y CA -0.211 57.903 58.100 0.023 0.000 1.205 1407 Y CB -0.274 38.188 38.460 0.003 0.000 1.201 1407 Y HN -0.054 nan 8.280 nan 0.000 0.532 1408 T N -2.858 111.661 114.554 -0.057 0.000 3.409 1408 T HA 0.126 4.476 4.350 -0.000 0.000 0.188 1408 T C 1.306 176.027 174.700 0.034 0.000 0.929 1408 T CA 0.635 62.750 62.100 0.025 0.000 1.184 1408 T CB -0.769 68.091 68.868 -0.015 0.000 1.570 1408 T HN 0.092 nan 8.240 nan 0.000 0.367 1409 I N 3.043 123.612 120.570 -0.001 0.000 2.252 1409 I HA 0.007 4.177 4.170 -0.000 0.000 0.245 1409 I C 1.911 177.989 176.117 -0.065 0.000 1.102 1409 I CA 1.320 62.600 61.300 -0.034 0.000 1.385 1409 I CB -0.818 37.093 38.000 -0.148 0.000 1.064 1409 I HN 0.249 nan 8.210 nan 0.000 0.414 1410 N N 0.810 119.461 118.700 -0.083 0.000 2.120 1410 N HA -0.105 4.635 4.740 -0.000 0.000 0.188 1410 N C -0.771 174.708 175.510 -0.051 0.000 1.024 1410 N CA 1.743 54.744 53.050 -0.082 0.000 0.852 1410 N CB -1.859 36.578 38.487 -0.085 0.000 1.003 1410 N HN 0.317 nan 8.380 nan 0.000 0.424 1411 P HA 0.000 nan 4.420 nan 0.000 0.218 1411 P C 1.001 178.334 177.300 0.054 0.000 1.149 1411 P CA 1.292 64.418 63.100 0.043 0.000 0.817 1411 P CB 0.005 31.756 31.700 0.086 0.000 0.785 1412 A N -0.695 122.139 122.820 0.025 0.000 1.898 1412 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 1412 A C 2.164 179.750 177.584 0.003 0.000 1.181 1412 A CA 1.307 53.350 52.037 0.011 0.000 0.620 1412 A CB -1.588 17.423 19.000 0.019 0.000 0.819 1412 A HN 0.099 nan 8.150 nan 0.000 0.442 1413 L N -0.742 120.469 121.223 -0.020 0.000 2.027 1413 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 1413 L C 2.780 179.611 176.870 -0.066 0.000 1.074 1413 L CA 1.762 56.579 54.840 -0.039 0.000 0.745 1413 L CB -0.892 41.127 42.059 -0.066 0.000 0.898 1413 L HN 0.337 nan 8.230 nan 0.000 0.433 1414 T N -2.072 112.424 114.554 -0.096 0.000 2.759 1414 T HA -0.199 4.151 4.350 -0.000 0.000 0.269 1414 T C 1.414 175.951 174.700 -0.272 0.000 1.042 1414 T CA 1.195 63.176 62.100 -0.199 0.000 1.140 1414 T CB -0.249 68.447 68.868 -0.287 0.000 0.864 1414 T HN 0.373 nan 8.240 nan 0.000 0.455 1415 H N -0.347 118.679 119.070 -0.074 0.000 2.520 1415 H HA 0.353 4.909 4.556 -0.000 0.000 0.284 1415 H C 1.603 176.887 175.328 -0.074 0.000 1.037 1415 H CA 0.283 56.295 56.048 -0.060 0.000 1.168 1415 H CB 0.162 29.893 29.762 -0.053 0.000 1.497 1415 H HN 0.491 nan 8.280 nan 0.000 0.547 1416 G N 2.410 111.214 108.800 0.006 0.000 2.221 1416 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.265 1416 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.265 1416 G C 0.852 175.815 174.900 0.105 0.000 1.041 1416 G CA 0.738 45.858 45.100 0.033 0.000 0.807 1416 G HN 0.640 nan 8.290 nan 0.000 0.502 1417 I N -4.080 116.500 120.570 0.018 0.000 4.147 1417 I HA 0.668 4.838 4.170 -0.000 0.000 0.329 1417 I C 1.812 177.902 176.117 -0.046 0.000 1.424 1417 I CA 0.374 61.609 61.300 -0.108 0.000 1.127 1417 I CB 0.334 37.977 38.000 -0.595 0.000 1.128 1417 I HN 0.121 nan 8.210 nan 0.000 0.417 1418 A N 2.071 124.941 122.820 0.084 0.000 2.178 1418 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 1418 A C 2.135 179.790 177.584 0.118 0.000 1.157 1418 A CA 1.572 53.656 52.037 0.079 0.000 0.689 1418 A CB -1.110 17.929 19.000 0.065 0.000 0.787 1418 A HN 0.783 nan 8.150 nan 0.000 0.465 1419 H N -1.877 117.226 119.070 0.056 0.000 2.548 1419 H HA 0.151 4.707 4.556 -0.000 0.000 0.268 1419 H C 0.895 176.281 175.328 0.097 0.000 0.975 1419 H CA 1.090 57.178 56.048 0.066 0.000 1.195 1419 H CB 0.065 29.862 29.762 0.058 0.000 1.397 1419 H HN 0.489 nan 8.280 nan 0.000 0.572 1420 E N 1.088 121.121 120.200 -0.277 0.000 2.306 1420 E HA 0.149 4.499 4.350 -0.000 0.000 0.201 1420 E C 1.211 177.828 176.600 0.028 0.000 0.874 1420 E CA 0.831 57.157 56.400 -0.123 0.000 0.972 1420 E CB 1.191 30.832 29.700 -0.099 0.000 0.957 1420 E HN 0.374 nan 8.360 nan 0.000 0.492 1421 V N -4.625 115.322 119.914 0.054 0.000 3.084 1421 V HA 0.860 4.980 4.120 -0.000 0.000 0.311 1421 V C 0.822 176.977 176.094 0.102 0.000 1.311 1421 V CA -0.165 62.199 62.300 0.106 0.000 1.062 1421 V CB 1.219 33.135 31.823 0.154 0.000 1.113 1421 V HN 0.307 nan 8.190 nan 0.000 0.468 1422 G N -0.074 108.803 108.800 0.127 0.000 2.278 1422 G HA2 0.088 4.048 3.960 -0.000 0.000 0.210 1422 G HA3 0.088 4.048 3.960 -0.000 0.000 0.210 1422 G C 0.266 175.272 174.900 0.176 0.000 1.000 1422 G CA 0.638 45.815 45.100 0.127 0.000 0.635 1422 G HN 2.436 nan 8.290 nan 0.000 0.495 1423 S N -1.102 114.724 115.700 0.210 0.000 2.611 1423 S HA 0.662 5.132 4.470 -0.000 0.000 0.268 1423 S C -0.669 174.095 174.600 0.273 0.000 1.156 1423 S CA -0.694 57.678 58.200 0.287 0.000 0.817 1423 S CB 1.214 64.668 63.200 0.423 0.000 1.122 1423 S HN 0.737 nan 8.310 nan 0.000 0.466 1424 I N 1.602 122.379 120.570 0.346 0.000 2.224 1424 I HA 0.342 4.512 4.170 -0.000 0.000 0.293 1424 I C -0.043 176.261 176.117 0.312 0.000 1.155 1424 I CA 0.224 61.721 61.300 0.329 0.000 1.297 1424 I CB -0.402 37.819 38.000 0.369 0.000 1.487 1424 I HN 0.563 nan 8.210 nan 0.000 0.564 1425 E N 3.369 123.670 120.200 0.167 0.000 2.317 1425 E HA 0.398 4.748 4.350 -0.000 0.000 0.270 1425 E C -0.805 175.807 176.600 0.020 0.000 0.885 1425 E CA -1.009 55.409 56.400 0.031 0.000 0.760 1425 E CB 3.180 32.895 29.700 0.024 0.000 1.227 1425 E HN 0.050 nan 8.360 nan 0.000 0.434 1426 V N 1.959 121.846 119.914 -0.045 0.000 2.644 1426 V HA 0.117 4.237 4.120 -0.000 0.000 0.305 1426 V C 1.400 177.486 176.094 -0.013 0.000 1.053 1426 V CA 2.004 64.275 62.300 -0.048 0.000 1.186 1426 V CB 0.280 32.031 31.823 -0.121 0.000 0.895 1426 V HN 1.115 nan 8.190 nan 0.000 0.490 1427 G N 3.842 112.649 108.800 0.013 0.000 2.241 1427 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 1427 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 1427 G C 0.311 175.245 174.900 0.055 0.000 0.998 1427 G CA 0.170 45.291 45.100 0.034 0.000 0.621 1427 G HN 0.606 nan 8.290 nan 0.000 0.519 1428 K N 0.111 120.549 120.400 0.064 0.000 2.126 1428 K HA 0.567 4.887 4.320 -0.000 0.000 0.257 1428 K C 0.300 176.947 176.600 0.079 0.000 1.007 1428 K CA -0.876 55.456 56.287 0.074 0.000 0.928 1428 K CB 1.378 33.933 32.500 0.092 0.000 1.013 1428 K HN 0.159 nan 8.250 nan 0.000 0.473 1429 L N 1.819 123.086 121.223 0.072 0.000 2.525 1429 L HA -0.019 4.321 4.340 -0.000 0.000 0.278 1429 L C -0.040 176.883 176.870 0.088 0.000 1.218 1429 L CA 0.735 55.616 54.840 0.069 0.000 0.878 1429 L CB 0.431 42.525 42.059 0.057 0.000 1.127 1429 L HN 0.743 nan 8.230 nan 0.000 0.492 1430 A N 4.003 126.875 122.820 0.086 0.000 3.048 1430 A HA 0.170 4.490 4.320 -0.000 0.000 0.264 1430 A C -0.392 177.246 177.584 0.090 0.000 1.796 1430 A CA -0.367 51.726 52.037 0.094 0.000 1.445 1430 A CB -1.164 17.889 19.000 0.089 0.000 1.074 1430 A HN 0.688 nan 8.150 nan 0.000 0.621 1431 D N 1.537 121.998 120.400 0.102 0.000 2.443 1431 D HA 0.533 5.173 4.640 -0.000 0.000 0.221 1431 D C -0.340 176.028 176.300 0.113 0.000 1.097 1431 D CA 0.422 54.482 54.000 0.100 0.000 0.865 1431 D CB 0.953 41.821 40.800 0.114 0.000 1.034 1431 D HN 0.403 nan 8.370 nan 0.000 0.511 1432 L N 1.075 122.352 121.223 0.091 0.000 2.354 1432 L HA 0.648 4.988 4.340 -0.000 0.000 0.264 1432 L C -0.534 176.360 176.870 0.040 0.000 1.008 1432 L CA -1.219 53.679 54.840 0.097 0.000 0.819 1432 L CB 2.418 44.537 42.059 0.099 0.000 1.339 1432 L HN -0.098 nan 8.230 nan 0.000 0.420 1433 V N 2.227 122.162 119.914 0.034 0.000 2.531 1433 V HA 0.439 4.559 4.120 -0.000 0.000 0.301 1433 V C -0.262 175.702 176.094 -0.216 0.000 1.034 1433 V CA -0.691 61.504 62.300 -0.175 0.000 0.865 1433 V CB 2.176 33.842 31.823 -0.260 0.000 0.995 1433 V HN 0.420 nan 8.190 nan 0.000 0.424 1434 V N 3.982 123.724 119.914 -0.287 0.000 2.427 1434 V HA 0.527 4.647 4.120 -0.000 0.000 0.286 1434 V C -0.839 175.134 176.094 -0.202 0.000 1.034 1434 V CA -0.485 61.749 62.300 -0.111 0.000 0.893 1434 V CB 1.348 33.154 31.823 -0.028 0.000 0.982 1434 V HN 0.914 nan 8.190 nan 0.000 0.452 1435 W N 1.808 123.191 121.300 0.138 0.000 2.844 1435 W HA 0.637 5.297 4.660 -0.000 0.000 0.340 1435 W C 0.202 176.818 176.519 0.162 0.000 1.093 1435 W CA -0.672 56.769 57.345 0.160 0.000 1.212 1435 W CB 1.782 31.393 29.460 0.251 0.000 1.422 1435 W HN 0.457 nan 8.180 nan 0.000 0.515 1436 S N 2.266 118.229 115.700 0.438 0.000 2.499 1436 S HA 0.309 4.779 4.470 -0.000 0.000 0.279 1436 S C -1.534 173.269 174.600 0.338 0.000 1.219 1436 S CA -1.313 57.086 58.200 0.331 0.000 1.062 1436 S CB 1.096 64.504 63.200 0.347 0.000 0.978 1436 S HN 0.210 nan 8.310 nan 0.000 0.489 1437 P HA -0.144 nan 4.420 nan 0.000 0.217 1437 P C 1.205 178.526 177.300 0.034 0.000 1.151 1437 P CA 1.773 64.910 63.100 0.061 0.000 0.849 1437 P CB 0.035 31.725 31.700 -0.017 0.000 0.787 1438 A N -2.292 120.563 122.820 0.059 0.000 2.067 1438 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 1438 A C 1.351 178.794 177.584 -0.234 0.000 1.158 1438 A CA 1.239 53.210 52.037 -0.110 0.000 0.661 1438 A CB -1.309 17.591 19.000 -0.167 0.000 0.801 1438 A HN 0.194 nan 8.150 nan 0.000 0.452 1439 F N -2.263 117.768 119.950 0.134 0.000 2.698 1439 F HA 0.325 4.852 4.527 -0.000 0.000 0.304 1439 F C 0.277 176.080 175.800 0.005 0.000 1.108 1439 F CA -1.130 56.905 58.000 0.059 0.000 1.263 1439 F CB 0.082 39.170 39.000 0.147 0.000 1.013 1439 F HN 0.157 nan 8.300 nan 0.000 0.532 1440 F N 1.519 121.419 119.950 -0.082 0.000 2.623 1440 F HA 0.337 4.864 4.527 -0.000 0.000 0.383 1440 F C 1.372 176.752 175.800 -0.700 0.000 1.077 1440 F CA 0.998 58.728 58.000 -0.449 0.000 1.268 1440 F CB 0.461 39.133 39.000 -0.547 0.000 1.053 1440 F HN 0.323 nan 8.300 nan 0.000 0.571 1441 G N 3.383 110.876 108.800 -2.178 0.000 2.189 1441 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 1441 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 1441 G C 0.534 175.174 174.900 -0.433 0.000 0.975 1441 G CA 0.529 44.801 45.100 -1.380 0.000 0.644 1441 G HN 0.773 nan 8.290 nan 0.000 0.537 1442 V N -0.832 118.959 119.914 -0.206 0.000 2.840 1442 V HA 0.379 4.499 4.120 -0.000 0.000 0.234 1442 V C 0.987 177.195 176.094 0.191 0.000 1.159 1442 V CA 1.766 64.042 62.300 -0.039 0.000 1.194 1442 V CB 0.417 31.980 31.823 -0.433 0.000 0.971 1442 V HN 0.260 nan 8.190 nan 0.000 0.494 1443 K N 2.015 122.604 120.400 0.314 0.000 2.640 1443 K HA 0.388 4.708 4.320 -0.000 0.000 0.245 1443 K C -2.892 173.900 176.600 0.321 0.000 0.962 1443 K CA -1.575 54.887 56.287 0.291 0.000 0.896 1443 K CB 2.570 35.198 32.500 0.213 0.000 1.147 1443 K HN 0.197 nan 8.250 nan 0.000 0.445 1444 P HA 0.059 nan 4.420 nan 0.000 0.274 1444 P C -0.110 177.149 177.300 -0.068 0.000 1.231 1444 P CA -0.156 62.753 63.100 -0.318 0.000 0.790 1444 P CB 1.577 32.724 31.700 -0.923 0.000 0.951 1445 A N 2.376 125.123 122.820 -0.121 0.000 1.975 1445 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 1445 A C 0.651 178.175 177.584 -0.100 0.000 1.170 1445 A CA 1.257 53.240 52.037 -0.091 0.000 0.656 1445 A CB -0.416 18.561 19.000 -0.039 0.000 0.821 1445 A HN 0.621 nan 8.150 nan 0.000 0.449 1446 T N -0.898 113.576 114.554 -0.134 0.000 3.097 1446 T HA 0.492 4.842 4.350 -0.000 0.000 0.332 1446 T C -1.355 173.264 174.700 -0.135 0.000 1.269 1446 T CA -0.412 61.629 62.100 -0.097 0.000 1.076 1446 T CB 1.941 70.771 68.868 -0.063 0.000 1.209 1446 T HN 0.018 nan 8.240 nan 0.000 0.474 1447 V N 3.793 123.660 119.914 -0.078 0.000 2.376 1447 V HA 0.507 4.627 4.120 -0.000 0.000 0.287 1447 V C -0.390 175.691 176.094 -0.021 0.000 1.015 1447 V CA -0.727 61.528 62.300 -0.075 0.000 0.834 1447 V CB 1.128 32.912 31.823 -0.066 0.000 1.001 1447 V HN 0.783 nan 8.190 nan 0.000 0.428 1448 I N 5.289 125.856 120.570 -0.006 0.000 2.336 1448 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 1448 I C 0.056 176.197 176.117 0.040 0.000 0.991 1448 I CA -0.535 60.779 61.300 0.023 0.000 1.227 1448 I CB 1.287 39.305 38.000 0.031 0.000 1.366 1448 I HN 0.312 nan 8.210 nan 0.000 0.466 1449 K N 4.533 124.960 120.400 0.045 0.000 2.339 1449 K HA 0.333 4.653 4.320 -0.000 0.000 0.264 1449 K C 0.483 177.119 176.600 0.060 0.000 0.986 1449 K CA -0.385 55.934 56.287 0.054 0.000 0.866 1449 K CB 1.571 34.100 32.500 0.050 0.000 1.103 1449 K HN 0.872 nan 8.250 nan 0.000 0.441 1450 G N 2.035 110.872 108.800 0.062 0.000 2.341 1450 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.292 1450 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.292 1450 G C 0.806 175.752 174.900 0.077 0.000 1.021 1450 G CA 1.301 46.440 45.100 0.064 0.000 0.905 1450 G HN 1.063 nan 8.290 nan 0.000 0.508 1451 G N -2.078 106.763 108.800 0.068 0.000 2.194 1451 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.236 1451 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.236 1451 G C 0.284 175.213 174.900 0.047 0.000 0.987 1451 G CA 0.772 45.908 45.100 0.060 0.000 0.635 1451 G HN 1.051 nan 8.290 nan 0.000 0.520 1452 M N 0.563 120.195 119.600 0.053 0.000 2.465 1452 M HA 0.537 5.016 4.480 -0.000 0.000 0.316 1452 M C 0.201 176.531 176.300 0.050 0.000 1.121 1452 M CA -0.872 54.458 55.300 0.050 0.000 0.934 1452 M CB 2.216 34.853 32.600 0.062 0.000 1.692 1452 M HN 0.049 nan 8.290 nan 0.000 0.444 1453 I N 1.928 122.528 120.570 0.051 0.000 2.587 1453 I HA 0.024 4.194 4.170 -0.000 0.000 0.284 1453 I C 0.968 177.111 176.117 0.043 0.000 1.134 1453 I CA 0.111 61.434 61.300 0.039 0.000 1.410 1453 I CB 0.966 38.987 38.000 0.036 0.000 1.392 1453 I HN 0.890 nan 8.210 nan 0.000 0.545 1454 A N 7.344 130.181 122.820 0.027 0.000 2.014 1454 A HA 0.382 4.702 4.320 -0.000 0.000 0.210 1454 A C 0.707 178.294 177.584 0.005 0.000 1.188 1454 A CA 0.650 52.698 52.037 0.020 0.000 0.731 1454 A CB 0.407 19.422 19.000 0.025 0.000 0.858 1454 A HN 0.663 nan 8.150 nan 0.000 0.464 1455 I N -2.271 118.306 120.570 0.012 0.000 2.842 1455 I HA 0.593 4.763 4.170 -0.000 0.000 0.297 1455 I C -1.499 174.650 176.117 0.054 0.000 1.380 1455 I CA -0.498 60.822 61.300 0.032 0.000 1.018 1455 I CB 2.174 40.209 38.000 0.057 0.000 1.311 1455 I HN 0.274 nan 8.210 nan 0.000 0.439 1456 A N 6.295 129.149 122.820 0.056 0.000 2.586 1456 A HA 0.775 5.095 4.320 -0.000 0.000 0.291 1456 A C -3.096 174.346 177.584 -0.237 0.000 1.062 1456 A CA -1.012 51.014 52.037 -0.019 0.000 0.666 1456 A CB 1.720 20.678 19.000 -0.070 0.000 1.281 1456 A HN 0.306 nan 8.150 nan 0.000 0.421 1457 P HA 0.451 nan 4.420 nan 0.000 0.276 1457 P C -0.891 176.173 177.300 -0.393 0.000 1.230 1457 P CA 0.154 62.810 63.100 -0.740 0.000 0.776 1457 P CB 0.945 32.160 31.700 -0.809 0.000 0.888 1458 M N 3.116 122.495 119.600 -0.368 0.000 2.326 1458 M HA 0.585 5.065 4.480 -0.000 0.000 0.292 1458 M C -0.273 175.860 176.300 -0.279 0.000 1.081 1458 M CA -0.429 54.704 55.300 -0.277 0.000 0.919 1458 M CB 1.815 34.267 32.600 -0.247 0.000 1.634 1458 M HN 0.443 nan 8.290 nan 0.000 0.451 1459 G N 1.264 109.954 108.800 -0.183 0.000 2.510 1459 G HA2 0.247 4.207 3.960 -0.000 0.000 0.280 1459 G HA3 0.247 4.207 3.960 -0.000 0.000 0.280 1459 G C -0.886 173.950 174.900 -0.106 0.000 1.386 1459 G CA -0.589 44.433 45.100 -0.131 0.000 1.047 1459 G HN 0.747 nan 8.290 nan 0.000 0.527 1460 D N -0.064 120.302 120.400 -0.057 0.000 2.793 1460 D HA -0.107 4.533 4.640 -0.000 0.000 0.230 1460 D C 1.756 178.031 176.300 -0.041 0.000 1.139 1460 D CA -0.213 53.767 54.000 -0.033 0.000 0.838 1460 D CB 0.240 41.030 40.800 -0.017 0.000 1.149 1460 D HN 0.056 nan 8.370 nan 0.000 0.526 1461 I N 3.654 124.200 120.570 -0.040 0.000 2.361 1461 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 1461 I C 1.850 177.955 176.117 -0.021 0.000 1.133 1461 I CA 0.990 62.267 61.300 -0.038 0.000 1.413 1461 I CB -1.055 36.923 38.000 -0.036 0.000 1.073 1461 I HN 0.443 nan 8.210 nan 0.000 0.424 1462 N N 0.906 119.598 118.700 -0.014 0.000 2.336 1462 N HA 0.127 4.867 4.740 -0.000 0.000 0.189 1462 N C 0.671 176.176 175.510 -0.008 0.000 1.113 1462 N CA 0.146 53.191 53.050 -0.007 0.000 0.858 1462 N CB 0.255 38.740 38.487 -0.003 0.000 0.970 1462 N HN 0.264 nan 8.380 nan 0.000 0.471 1463 A N -0.439 122.374 122.820 -0.012 0.000 2.386 1463 A HA 0.238 4.558 4.320 -0.000 0.000 0.246 1463 A C 1.400 178.978 177.584 -0.010 0.000 1.089 1463 A CA 0.249 52.279 52.037 -0.012 0.000 0.790 1463 A CB 0.027 19.016 19.000 -0.017 0.000 1.042 1463 A HN 0.468 nan 8.150 nan 0.000 0.497 1464 S N -0.343 115.352 115.700 -0.009 0.000 2.489 1464 S HA 0.169 4.639 4.470 -0.000 0.000 0.228 1464 S C 0.525 175.121 174.600 -0.007 0.000 0.995 1464 S CA 0.959 59.156 58.200 -0.006 0.000 0.934 1464 S CB -0.956 62.241 63.200 -0.006 0.000 0.771 1464 S HN 0.806 nan 8.310 nan 0.000 0.522 1465 I N -3.100 117.463 120.570 -0.011 0.000 3.102 1465 I HA 0.443 4.613 4.170 -0.000 0.000 0.310 1465 I C -2.562 173.542 176.117 -0.023 0.000 1.246 1465 I CA -2.717 58.575 61.300 -0.013 0.000 0.979 1465 I CB 1.785 39.778 38.000 -0.013 0.000 1.267 1465 I HN -0.360 nan 8.210 nan 0.000 0.451 1466 P HA -0.029 nan 4.420 nan 0.000 0.245 1466 P C 1.034 178.298 177.300 -0.061 0.000 1.212 1466 P CA 0.943 64.015 63.100 -0.046 0.000 0.774 1466 P CB 0.074 31.748 31.700 -0.044 0.000 0.999 1467 T N -4.255 110.269 114.554 -0.049 0.000 3.054 1467 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 1467 T C -1.493 173.178 174.700 -0.049 0.000 1.092 1467 T CA -0.341 61.727 62.100 -0.054 0.000 1.121 1467 T CB -1.991 66.852 68.868 -0.041 0.000 0.912 1467 T HN 0.129 nan 8.240 nan 0.000 0.489 1468 P HA 0.181 nan 4.420 nan 0.000 0.269 1468 P C 0.114 177.397 177.300 -0.028 0.000 1.209 1468 P CA -0.152 62.931 63.100 -0.028 0.000 0.776 1468 P CB 0.365 32.053 31.700 -0.020 0.000 0.876 1469 Q N 2.790 122.581 119.800 -0.016 0.000 2.454 1469 Q HA 0.195 4.535 4.340 -0.000 0.000 0.247 1469 Q C -1.886 174.121 176.000 0.013 0.000 1.028 1469 Q CA -1.198 54.604 55.803 -0.002 0.000 0.910 1469 Q CB -0.563 28.176 28.738 0.003 0.000 1.276 1469 Q HN 0.403 nan 8.270 nan 0.000 0.489 1470 P HA 0.197 nan 4.420 nan 0.000 0.285 1470 P C -0.836 176.515 177.300 0.085 0.000 1.259 1470 P CA -0.320 62.831 63.100 0.084 0.000 0.794 1470 P CB 0.883 32.664 31.700 0.135 0.000 0.940 1471 V N 5.290 125.227 119.914 0.037 0.000 2.350 1471 V HA 0.341 4.461 4.120 -0.000 0.000 0.276 1471 V C 0.186 176.275 176.094 -0.008 0.000 1.028 1471 V CA -0.166 62.094 62.300 -0.066 0.000 0.860 1471 V CB 0.056 31.805 31.823 -0.123 0.000 0.990 1471 V HN 0.851 nan 8.190 nan 0.000 0.453 1472 H N 1.996 120.984 119.070 -0.137 0.000 3.008 1472 H HA 0.647 5.203 4.556 -0.000 0.000 0.354 1472 H C -1.488 173.747 175.328 -0.155 0.000 1.252 1472 H CA -1.147 54.841 56.048 -0.100 0.000 1.117 1472 H CB 0.805 30.578 29.762 0.018 0.000 1.857 1472 H HN 0.365 nan 8.280 nan 0.000 0.547 1473 Y N 1.254 121.592 120.300 0.064 0.000 2.544 1473 Y HA 0.246 4.796 4.550 -0.000 0.000 0.330 1473 Y C 0.571 176.463 175.900 -0.013 0.000 1.136 1473 Y CA 0.337 58.431 58.100 -0.008 0.000 1.417 1473 Y CB 0.487 38.956 38.460 0.015 0.000 1.229 1473 Y HN 0.383 nan 8.280 nan 0.000 0.532 1474 R N 4.599 125.108 120.500 0.014 0.000 2.673 1474 R HA 0.396 4.736 4.340 -0.000 0.000 0.281 1474 R C -2.921 173.360 176.300 -0.033 0.000 0.991 1474 R CA -2.313 53.771 56.100 -0.026 0.000 0.896 1474 R CB 1.817 32.033 30.300 -0.140 0.000 1.201 1474 R HN 0.353 nan 8.270 nan 0.000 0.457 1475 P HA 0.051 nan 4.420 nan 0.000 0.271 1475 P C -0.583 176.631 177.300 -0.143 0.000 1.216 1475 P CA 0.041 63.105 63.100 -0.061 0.000 0.771 1475 P CB 0.783 32.453 31.700 -0.051 0.000 0.864 1476 M N 1.802 121.319 119.600 -0.138 0.000 2.734 1476 M HA 0.295 4.775 4.480 -0.000 0.000 0.264 1476 M C 1.691 177.845 176.300 -0.244 0.000 1.080 1476 M CA -0.856 54.302 55.300 -0.236 0.000 0.981 1476 M CB -0.625 31.920 32.600 -0.092 0.000 1.514 1476 M HN 0.199 nan 8.290 nan 0.000 0.569 1477 F N 0.579 120.512 119.950 -0.028 0.000 2.202 1477 F HA -0.071 4.456 4.527 -0.000 0.000 0.301 1477 F C 2.245 178.026 175.800 -0.032 0.000 1.082 1477 F CA 1.410 59.391 58.000 -0.033 0.000 1.313 1477 F CB -0.899 38.080 39.000 -0.035 0.000 1.024 1477 F HN 0.743 nan 8.300 nan 0.000 0.495 1478 G N -0.632 108.246 108.800 0.130 0.000 2.625 1478 G HA2 0.013 3.973 3.960 -0.000 0.000 0.214 1478 G HA3 0.013 3.973 3.960 -0.000 0.000 0.214 1478 G C 1.445 176.365 174.900 0.033 0.000 1.132 1478 G CA 0.626 45.772 45.100 0.076 0.000 0.782 1478 G HN 0.428 nan 8.290 nan 0.000 0.538 1479 A N -0.298 122.526 122.820 0.005 0.000 2.430 1479 A HA 0.605 4.925 4.320 -0.000 0.000 0.243 1479 A C 0.524 178.081 177.584 -0.046 0.000 1.254 1479 A CA -0.355 51.670 52.037 -0.020 0.000 0.914 1479 A CB 0.180 19.166 19.000 -0.023 0.000 0.998 1479 A HN 0.236 nan 8.150 nan 0.000 0.515 1480 L N -0.083 121.118 121.223 -0.036 0.000 2.289 1480 L HA 0.480 4.820 4.340 -0.000 0.000 0.285 1480 L C 1.653 178.464 176.870 -0.099 0.000 1.049 1480 L CA -0.155 54.656 54.840 -0.049 0.000 0.804 1480 L CB 1.135 43.196 42.059 0.003 0.000 1.195 1480 L HN 0.522 nan 8.230 nan 0.000 0.428 1481 G N 2.475 111.188 108.800 -0.145 0.000 2.699 1481 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.408 1481 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.408 1481 G C 1.157 175.785 174.900 -0.455 0.000 1.112 1481 G CA 1.066 46.020 45.100 -0.243 0.000 0.885 1481 G HN 0.629 nan 8.290 nan 0.000 0.690 1482 S N 0.776 116.346 115.700 -0.217 0.000 2.419 1482 S HA 0.094 4.564 4.470 -0.000 0.000 0.233 1482 S C 2.730 177.302 174.600 -0.046 0.000 1.016 1482 S CA 1.786 59.928 58.200 -0.098 0.000 0.974 1482 S CB -0.481 62.737 63.200 0.030 0.000 0.786 1482 S HN 1.154 nan 8.310 nan 0.000 0.492 1483 A N 1.947 124.736 122.820 -0.051 0.000 1.898 1483 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 1483 A C 2.062 179.662 177.584 0.026 0.000 1.181 1483 A CA 1.510 53.549 52.037 0.004 0.000 0.620 1483 A CB -0.538 18.475 19.000 0.021 0.000 0.819 1483 A HN 0.455 nan 8.150 nan 0.000 0.442 1484 R N -0.820 119.643 120.500 -0.062 0.000 2.083 1484 R HA -0.209 4.131 4.340 -0.000 0.000 0.237 1484 R C 1.998 178.317 176.300 0.032 0.000 1.137 1484 R CA 2.045 58.117 56.100 -0.047 0.000 0.951 1484 R CB -0.572 29.652 30.300 -0.126 0.000 0.851 1484 R HN 0.779 nan 8.270 nan 0.000 0.434 1485 H N -2.209 116.885 119.070 0.040 0.000 2.387 1485 H HA -0.182 4.374 4.556 -0.000 0.000 0.299 1485 H C 1.932 177.278 175.328 0.029 0.000 1.099 1485 H CA 1.571 57.631 56.048 0.020 0.000 1.315 1485 H CB -0.100 29.673 29.762 0.019 0.000 1.380 1485 H HN 0.458 nan 8.280 nan 0.000 0.513 1486 H N -0.787 118.341 119.070 0.096 0.000 2.502 1486 H HA 0.023 4.579 4.556 -0.000 0.000 0.283 1486 H C 1.265 176.608 175.328 0.025 0.000 1.015 1486 H CA 0.960 57.036 56.048 0.047 0.000 1.298 1486 H CB 0.238 30.018 29.762 0.031 0.000 1.411 1486 H HN 0.302 nan 8.280 nan 0.000 0.556 1487 C N 1.398 120.773 119.300 0.125 0.000 2.906 1487 C HA 0.270 4.729 4.460 -0.000 0.000 0.274 1487 C C 0.719 175.724 174.990 0.025 0.000 1.257 1487 C CA -0.336 58.729 59.018 0.078 0.000 1.695 1487 C CB -1.150 26.648 27.740 0.096 0.000 1.958 1487 C HN 0.522 nan 8.230 nan 0.000 0.619 1488 R N 0.183 120.686 120.500 0.005 0.000 2.892 1488 R HA 0.835 5.175 4.340 -0.000 0.000 0.265 1488 R C -1.509 174.731 176.300 -0.101 0.000 1.025 1488 R CA -0.648 55.438 56.100 -0.023 0.000 0.982 1488 R CB 0.936 31.242 30.300 0.011 0.000 1.185 1488 R HN 0.096 nan 8.270 nan 0.000 0.484 1489 L N 0.746 121.860 121.223 -0.181 0.000 2.386 1489 L HA 0.460 4.800 4.340 -0.000 0.000 0.271 1489 L C -0.686 175.921 176.870 -0.439 0.000 0.993 1489 L CA -0.905 53.714 54.840 -0.369 0.000 0.819 1489 L CB 2.745 44.438 42.059 -0.611 0.000 1.294 1489 L HN 0.744 nan 8.230 nan 0.000 0.414 1490 T N 2.424 116.751 114.554 -0.378 0.000 2.772 1490 T HA 0.504 4.854 4.350 -0.000 0.000 0.288 1490 T C -0.462 174.076 174.700 -0.270 0.000 0.994 1490 T CA -0.257 61.696 62.100 -0.244 0.000 0.951 1490 T CB 0.260 69.052 68.868 -0.126 0.000 0.933 1490 T HN 0.095 nan 8.240 nan 0.000 0.447 1491 F N 3.451 123.421 119.950 0.033 0.000 2.427 1491 F HA 0.513 5.040 4.527 -0.000 0.000 0.352 1491 F C 0.464 176.291 175.800 0.045 0.000 1.100 1491 F CA -0.742 57.286 58.000 0.047 0.000 1.191 1491 F CB 0.607 39.647 39.000 0.066 0.000 1.128 1491 F HN 0.186 nan 8.300 nan 0.000 0.533 1492 L N 1.887 123.245 121.223 0.224 0.000 2.309 1492 L HA 0.507 4.847 4.340 -0.000 0.000 0.261 1492 L C -0.107 176.843 176.870 0.134 0.000 1.021 1492 L CA -1.110 53.812 54.840 0.136 0.000 0.823 1492 L CB 2.349 44.452 42.059 0.074 0.000 1.366 1492 L HN 0.638 nan 8.230 nan 0.000 0.423 1493 S N -0.353 115.402 115.700 0.092 0.000 2.603 1493 S HA 0.155 4.625 4.470 -0.000 0.000 0.268 1493 S C 0.560 175.195 174.600 0.058 0.000 1.317 1493 S CA -0.522 57.721 58.200 0.072 0.000 1.012 1493 S CB 1.367 64.598 63.200 0.051 0.000 0.926 1493 S HN 0.696 nan 8.310 nan 0.000 0.539 1494 Q N 1.150 120.977 119.800 0.045 0.000 2.135 1494 Q HA -0.143 4.197 4.340 -0.000 0.000 0.204 1494 Q C 2.488 178.502 176.000 0.023 0.000 0.981 1494 Q CA 1.708 57.530 55.803 0.032 0.000 0.856 1494 Q CB -0.632 28.116 28.738 0.018 0.000 0.902 1494 Q HN 0.929 nan 8.270 nan 0.000 0.425 1495 A N 1.107 123.939 122.820 0.020 0.000 1.858 1495 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 1495 A C 2.327 179.920 177.584 0.014 0.000 1.190 1495 A CA 1.654 53.699 52.037 0.014 0.000 0.617 1495 A CB -0.985 18.022 19.000 0.011 0.000 0.827 1495 A HN 0.410 nan 8.150 nan 0.000 0.443 1496 A N -0.124 122.707 122.820 0.020 0.000 1.883 1496 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 1496 A C 2.532 180.124 177.584 0.013 0.000 1.186 1496 A CA 2.363 54.410 52.037 0.016 0.000 0.624 1496 A CB -1.131 17.883 19.000 0.022 0.000 0.822 1496 A HN 1.142 nan 8.150 nan 0.000 0.444 1497 A N -0.233 122.599 122.820 0.021 0.000 1.908 1497 A HA 0.112 4.432 4.320 -0.000 0.000 0.218 1497 A C 2.503 180.093 177.584 0.010 0.000 1.181 1497 A CA 2.285 54.333 52.037 0.018 0.000 0.627 1497 A CB -1.001 18.017 19.000 0.030 0.000 0.818 1497 A HN 1.102 nan 8.150 nan 0.000 0.445 1498 A N 0.215 123.041 122.820 0.011 0.000 1.930 1498 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 1498 A C 1.704 179.289 177.584 0.003 0.000 1.175 1498 A CA 1.482 53.523 52.037 0.006 0.000 0.627 1498 A CB -0.547 18.456 19.000 0.006 0.000 0.815 1498 A HN 0.551 nan 8.150 nan 0.000 0.443 1499 N N -0.198 118.503 118.700 0.003 0.000 2.571 1499 N HA 0.043 4.782 4.740 -0.000 0.000 0.189 1499 N C 1.078 176.586 175.510 -0.004 0.000 1.154 1499 N CA 1.060 54.109 53.050 -0.000 0.000 0.907 1499 N CB -0.138 38.350 38.487 0.001 0.000 0.977 1499 N HN 0.691 nan 8.380 nan 0.000 0.449 1500 G N 0.339 109.136 108.800 -0.004 0.000 2.198 1500 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 1500 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 1500 G C 0.957 175.848 174.900 -0.015 0.000 1.042 1500 G CA 0.349 45.443 45.100 -0.009 0.000 0.791 1500 G HN 0.212 nan 8.290 nan 0.000 0.502 1501 V N 0.075 119.980 119.914 -0.014 0.000 2.332 1501 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 1501 V C 3.224 179.298 176.094 -0.033 0.000 1.055 1501 V CA 3.105 65.392 62.300 -0.021 0.000 1.038 1501 V CB -0.936 30.878 31.823 -0.016 0.000 0.651 1501 V HN 1.016 nan 8.190 nan 0.000 0.450 1502 A N -0.033 122.767 122.820 -0.032 0.000 1.908 1502 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 1502 A C 2.105 179.661 177.584 -0.048 0.000 1.181 1502 A CA 2.122 54.132 52.037 -0.045 0.000 0.627 1502 A CB -0.465 18.509 19.000 -0.042 0.000 0.818 1502 A HN 0.575 nan 8.150 nan 0.000 0.445 1503 E N -0.698 119.480 120.200 -0.037 0.000 2.107 1503 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 1503 E C 2.137 178.715 176.600 -0.036 0.000 0.982 1503 E CA 1.170 57.549 56.400 -0.034 0.000 0.809 1503 E CB -0.257 29.429 29.700 -0.024 0.000 0.756 1503 E HN 0.643 nan 8.360 nan 0.000 0.459 1504 R N 0.433 120.913 120.500 -0.034 0.000 2.073 1504 R HA -0.036 4.304 4.340 -0.000 0.000 0.234 1504 R C 1.816 178.088 176.300 -0.047 0.000 1.134 1504 R CA 1.130 57.209 56.100 -0.034 0.000 0.952 1504 R CB -0.179 30.103 30.300 -0.029 0.000 0.850 1504 R HN 0.197 nan 8.270 nan 0.000 0.433 1505 L N 0.515 121.703 121.223 -0.058 0.000 2.554 1505 L HA 0.042 4.382 4.340 -0.000 0.000 0.226 1505 L C 0.500 177.322 176.870 -0.080 0.000 1.137 1505 L CA 0.215 55.009 54.840 -0.077 0.000 0.863 1505 L CB -0.314 41.692 42.059 -0.089 0.000 0.985 1505 L HN 0.435 nan 8.230 nan 0.000 0.451 1506 N N 1.302 119.960 118.700 -0.070 0.000 2.756 1506 N HA -0.170 4.570 4.740 -0.000 0.000 0.248 1506 N C -0.242 175.207 175.510 -0.102 0.000 1.062 1506 N CA 0.001 53.007 53.050 -0.073 0.000 0.696 1506 N CB -0.741 37.708 38.487 -0.063 0.000 0.946 1506 N HN 0.263 nan 8.380 nan 0.000 0.548 1507 L N 0.971 122.129 121.223 -0.108 0.000 2.455 1507 L HA 0.054 4.394 4.340 -0.000 0.000 0.272 1507 L C 1.697 178.464 176.870 -0.172 0.000 1.174 1507 L CA 0.153 54.907 54.840 -0.144 0.000 0.869 1507 L CB 0.535 42.522 42.059 -0.120 0.000 1.130 1507 L HN 0.115 nan 8.230 nan 0.000 0.474 1508 R N 0.472 120.801 120.500 -0.284 0.000 2.290 1508 R HA 0.116 4.456 4.340 -0.000 0.000 0.197 1508 R C 0.514 176.652 176.300 -0.269 0.000 0.913 1508 R CA 0.007 55.910 56.100 -0.329 0.000 1.040 1508 R CB 0.176 30.147 30.300 -0.550 0.000 0.992 1508 R HN 0.527 nan 8.270 nan 0.000 0.500 1509 S N 0.516 116.070 115.700 -0.244 0.000 2.645 1509 S HA 0.536 5.006 4.470 -0.000 0.000 0.266 1509 S C 0.185 174.722 174.600 -0.104 0.000 1.258 1509 S CA -0.648 57.491 58.200 -0.102 0.000 0.990 1509 S CB 1.169 64.326 63.200 -0.072 0.000 0.967 1509 S HN 0.371 nan 8.310 nan 0.000 0.556 1510 A N 1.524 124.278 122.820 -0.110 0.000 2.462 1510 A HA 0.431 4.751 4.320 -0.000 0.000 0.243 1510 A C -0.149 177.343 177.584 -0.153 0.000 1.076 1510 A CA -0.112 51.841 52.037 -0.139 0.000 0.773 1510 A CB -0.229 18.665 19.000 -0.177 0.000 1.010 1510 A HN 0.588 nan 8.150 nan 0.000 0.493 1511 I N 0.914 121.409 120.570 -0.124 0.000 2.412 1511 I HA 0.612 4.782 4.170 -0.000 0.000 0.296 1511 I C 0.501 176.560 176.117 -0.097 0.000 0.987 1511 I CA -0.132 61.098 61.300 -0.116 0.000 1.180 1511 I CB 1.184 39.147 38.000 -0.062 0.000 1.340 1511 I HN 0.747 nan 8.210 nan 0.000 0.455 1512 A N 5.957 128.713 122.820 -0.107 0.000 2.435 1512 A HA 0.815 5.135 4.320 -0.000 0.000 0.304 1512 A C -1.085 176.632 177.584 0.222 0.000 1.064 1512 A CA -0.510 51.546 52.037 0.033 0.000 0.727 1512 A CB 1.775 20.725 19.000 -0.083 0.000 1.284 1512 A HN 0.370 nan 8.150 nan 0.000 0.415 1513 V N 1.841 121.937 119.914 0.303 0.000 2.581 1513 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 1513 V C 0.353 176.655 176.094 0.347 0.000 1.041 1513 V CA -0.566 61.897 62.300 0.272 0.000 0.907 1513 V CB 1.584 33.497 31.823 0.150 0.000 0.994 1513 V HN 1.063 nan 8.190 nan 0.000 0.442 1514 V N 2.364 122.426 119.914 0.246 0.000 2.686 1514 V HA 0.802 4.922 4.120 -0.000 0.000 0.295 1514 V C -0.360 175.772 176.094 0.063 0.000 1.057 1514 V CA -0.477 61.933 62.300 0.183 0.000 1.012 1514 V CB 1.017 32.902 31.823 0.105 0.000 1.006 1514 V HN 1.080 nan 8.190 nan 0.000 0.477 1515 K N 1.964 122.364 120.400 0.000 0.000 2.578 1515 K HA 0.661 4.981 4.320 -0.000 0.000 0.269 1515 K C 0.072 176.632 176.600 -0.066 0.000 0.941 1515 K CA -0.502 55.745 56.287 -0.067 0.000 0.847 1515 K CB 1.407 33.820 32.500 -0.144 0.000 1.397 1515 K HN 1.989 nan 8.250 nan 0.000 0.422 1516 G N 0.796 109.562 108.800 -0.057 0.000 2.142 1516 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.225 1516 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.225 1516 G C 0.557 175.426 174.900 -0.051 0.000 1.015 1516 G CA 0.108 45.178 45.100 -0.051 0.000 0.716 1516 G HN 0.664 nan 8.290 nan 0.000 0.508 1517 C N -0.263 119.005 119.300 -0.053 0.000 2.485 1517 C HA 0.132 4.592 4.460 -0.000 0.000 0.277 1517 C C 2.538 177.480 174.990 -0.080 0.000 1.376 1517 C CA 1.097 60.069 59.018 -0.076 0.000 1.759 1517 C CB -0.408 27.288 27.740 -0.073 0.000 1.970 1517 C HN 0.563 nan 8.230 nan 0.000 0.509 1518 R N 1.328 121.792 120.500 -0.060 0.000 2.210 1518 R HA 0.011 4.351 4.340 -0.000 0.000 0.203 1518 R C 1.898 178.167 176.300 -0.051 0.000 1.010 1518 R CA 1.452 57.519 56.100 -0.055 0.000 1.008 1518 R CB -1.682 28.592 30.300 -0.043 0.000 0.923 1518 R HN 0.689 nan 8.270 nan 0.000 0.469 1519 T N -1.946 112.579 114.554 -0.048 0.000 3.065 1519 T HA 0.146 4.496 4.350 -0.000 0.000 0.252 1519 T C 1.034 175.706 174.700 -0.046 0.000 1.099 1519 T CA -0.215 61.860 62.100 -0.042 0.000 1.063 1519 T CB 0.016 68.862 68.868 -0.037 0.000 0.948 1519 T HN -0.057 nan 8.240 nan 0.000 0.506 1520 V N 3.060 122.939 119.914 -0.058 0.000 2.686 1520 V HA 0.416 4.536 4.120 -0.000 0.000 0.295 1520 V C -0.319 175.736 176.094 -0.064 0.000 1.055 1520 V CA -0.459 61.803 62.300 -0.064 0.000 1.050 1520 V CB 0.914 32.688 31.823 -0.082 0.000 0.984 1520 V HN 0.750 nan 8.190 nan 0.000 0.482 1521 Q N 4.036 123.802 119.800 -0.057 0.000 2.605 1521 Q HA 0.483 4.823 4.340 -0.000 0.000 0.296 1521 Q C 0.308 176.278 176.000 -0.051 0.000 1.056 1521 Q CA -0.984 54.790 55.803 -0.049 0.000 0.778 1521 Q CB 1.410 30.128 28.738 -0.033 0.000 1.497 1521 Q HN 0.402 nan 8.270 nan 0.000 0.443 1522 K N 0.809 121.184 120.400 -0.041 0.000 2.113 1522 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 1522 K C 1.767 178.349 176.600 -0.031 0.000 1.047 1522 K CA 2.409 58.673 56.287 -0.039 0.000 0.928 1522 K CB -0.878 31.608 32.500 -0.024 0.000 0.716 1522 K HN 0.679 nan 8.250 nan 0.000 0.446 1523 A N 0.510 123.316 122.820 -0.023 0.000 2.125 1523 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 1523 A C 1.318 178.887 177.584 -0.024 0.000 1.156 1523 A CA 1.839 53.867 52.037 -0.015 0.000 0.671 1523 A CB -0.377 18.617 19.000 -0.010 0.000 0.794 1523 A HN 0.395 nan 8.150 nan 0.000 0.459 1524 D N -0.567 119.809 120.400 -0.039 0.000 2.348 1524 D HA 0.038 4.678 4.640 -0.000 0.000 0.211 1524 D C 0.348 176.602 176.300 -0.076 0.000 0.998 1524 D CA 0.257 54.225 54.000 -0.053 0.000 0.873 1524 D CB -0.107 40.660 40.800 -0.055 0.000 0.925 1524 D HN 0.284 nan 8.370 nan 0.000 0.524 1525 M N 1.794 121.350 119.600 -0.073 0.000 2.251 1525 M HA 0.058 4.538 4.480 -0.000 0.000 0.346 1525 M C -0.001 176.237 176.300 -0.105 0.000 1.499 1525 M CA -0.185 55.061 55.300 -0.091 0.000 1.128 1525 M CB 0.662 33.218 32.600 -0.073 0.000 1.809 1525 M HN -0.320 nan 8.290 nan 0.000 0.464 1526 V N 6.478 126.282 119.914 -0.185 0.000 2.509 1526 V HA -0.088 4.032 4.120 -0.000 0.000 0.297 1526 V C 1.112 177.067 176.094 -0.232 0.000 1.014 1526 V CA 0.357 62.464 62.300 -0.321 0.000 1.127 1526 V CB -0.876 30.633 31.823 -0.523 0.000 0.925 1526 V HN 0.902 nan 8.190 nan 0.000 0.480 1527 H N 2.702 121.790 119.070 0.030 0.000 3.329 1527 H HA -0.162 4.394 4.556 -0.000 0.000 0.245 1527 H C 0.581 175.928 175.328 0.032 0.000 1.099 1527 H CA 1.347 57.434 56.048 0.066 0.000 1.186 1527 H CB -1.361 28.356 29.762 -0.075 0.000 1.243 1527 H HN 0.850 nan 8.280 nan 0.000 0.319 1528 N N 0.053 118.803 118.700 0.083 0.000 2.687 1528 N HA 0.132 4.872 4.740 -0.000 0.000 0.275 1528 N C 0.176 175.699 175.510 0.022 0.000 1.789 1528 N CA 0.647 53.722 53.050 0.041 0.000 0.806 1528 N CB 1.006 39.489 38.487 -0.006 0.000 1.256 1528 N HN 0.295 nan 8.380 nan 0.000 0.500 1529 S N -0.769 114.957 115.700 0.044 0.000 2.593 1529 S HA 0.145 4.615 4.470 -0.000 0.000 0.236 1529 S C 0.452 175.068 174.600 0.027 0.000 0.991 1529 S CA -0.408 57.806 58.200 0.023 0.000 0.963 1529 S CB 0.309 63.523 63.200 0.024 0.000 0.865 1529 S HN 0.253 nan 8.310 nan 0.000 0.488 1530 L N 2.757 124.004 121.223 0.040 0.000 2.499 1530 L HA 0.280 4.620 4.340 -0.000 0.000 0.273 1530 L C -0.139 176.745 176.870 0.024 0.000 1.195 1530 L CA 0.989 55.851 54.840 0.037 0.000 0.882 1530 L CB 0.350 42.439 42.059 0.049 0.000 1.133 1530 L HN 0.296 nan 8.230 nan 0.000 0.483 1531 Q N 7.056 126.863 119.800 0.010 0.000 2.607 1531 Q HA 0.388 4.727 4.340 -0.000 0.000 0.247 1531 Q C -2.248 173.745 176.000 -0.011 0.000 1.033 1531 Q CA -1.720 54.078 55.803 -0.007 0.000 0.769 1531 Q CB 1.072 29.794 28.738 -0.026 0.000 1.169 1531 Q HN 0.551 nan 8.270 nan 0.000 0.508 1532 P HA 0.059 nan 4.420 nan 0.000 0.278 1532 P C -0.589 176.702 177.300 -0.015 0.000 1.238 1532 P CA -0.472 62.629 63.100 0.002 0.000 0.794 1532 P CB 0.883 32.596 31.700 0.022 0.000 0.955 1533 N N 2.731 121.421 118.700 -0.016 0.000 2.739 1533 N HA 0.128 4.868 4.740 -0.000 0.000 0.266 1533 N C -0.586 174.919 175.510 -0.008 0.000 1.168 1533 N CA -0.178 52.858 53.050 -0.023 0.000 1.055 1533 N CB -0.980 37.495 38.487 -0.019 0.000 1.393 1533 N HN 0.424 nan 8.380 nan 0.000 0.514 1534 I N 2.174 122.743 120.570 -0.002 0.000 2.437 1534 I HA 0.483 4.653 4.170 -0.000 0.000 0.298 1534 I C -0.347 175.781 176.117 0.019 0.000 0.984 1534 I CA -0.349 60.960 61.300 0.016 0.000 1.214 1534 I CB 1.254 39.276 38.000 0.037 0.000 1.365 1534 I HN 0.497 nan 8.210 nan 0.000 0.469 1535 T N 3.804 118.370 114.554 0.020 0.000 2.906 1535 T HA 0.706 5.056 4.350 -0.000 0.000 0.295 1535 T C -0.987 173.729 174.700 0.027 0.000 1.075 1535 T CA -0.718 61.394 62.100 0.020 0.000 1.005 1535 T CB 1.864 70.737 68.868 0.010 0.000 1.136 1535 T HN 0.295 nan 8.240 nan 0.000 0.498 1536 V N 1.756 121.688 119.914 0.031 0.000 2.577 1536 V HA 0.405 4.525 4.120 -0.000 0.000 0.303 1536 V C -0.507 175.617 176.094 0.050 0.000 1.042 1536 V CA -0.917 61.411 62.300 0.048 0.000 0.872 1536 V CB 1.754 33.611 31.823 0.057 0.000 0.998 1536 V HN 1.077 nan 8.190 nan 0.000 0.423 1537 D N 3.430 123.865 120.400 0.058 0.000 2.371 1537 D HA 0.231 4.871 4.640 -0.000 0.000 0.256 1537 D C 1.094 177.444 176.300 0.084 0.000 1.193 1537 D CA 0.459 54.482 54.000 0.038 0.000 0.881 1537 D CB 2.136 42.940 40.800 0.008 0.000 1.143 1537 D HN 0.668 nan 8.370 nan 0.000 0.473 1538 A N 4.203 127.051 122.820 0.047 0.000 1.978 1538 A HA -0.249 4.071 4.320 -0.000 0.000 0.220 1538 A C 1.871 179.498 177.584 0.071 0.000 1.170 1538 A CA 1.591 53.675 52.037 0.078 0.000 0.636 1538 A CB -0.097 18.898 19.000 -0.008 0.000 0.810 1538 A HN 0.682 nan 8.150 nan 0.000 0.448 1539 Q N -1.218 118.539 119.800 -0.072 0.000 2.287 1539 Q HA 0.008 4.348 4.340 -0.000 0.000 0.201 1539 Q C 2.092 177.782 176.000 -0.517 0.000 0.946 1539 Q CA 1.499 57.170 55.803 -0.219 0.000 0.868 1539 Q CB -0.364 28.292 28.738 -0.137 0.000 0.967 1539 Q HN 0.717 nan 8.270 nan 0.000 0.516 1540 T N -3.216 111.132 114.554 -0.345 0.000 3.067 1540 T HA -0.019 4.331 4.350 -0.000 0.000 0.257 1540 T C -0.108 174.427 174.700 -0.275 0.000 1.105 1540 T CA 0.192 62.087 62.100 -0.342 0.000 1.104 1540 T CB -0.051 68.732 68.868 -0.142 0.000 0.925 1540 T HN 0.272 nan 8.240 nan 0.000 0.498 1541 Y N 0.611 120.901 120.300 -0.016 0.000 4.841 1541 Y HA -0.180 4.370 4.550 -0.000 0.000 0.242 1541 Y C 0.188 176.074 175.900 -0.023 0.000 1.002 1541 Y CA -0.342 57.747 58.100 -0.018 0.000 2.011 1541 Y CB -2.963 35.485 38.460 -0.020 0.000 1.554 1541 Y HN 0.513 nan 8.280 nan 0.000 0.618 1542 E N 0.506 120.761 120.200 0.092 0.000 2.384 1542 E HA 0.361 4.711 4.350 -0.000 0.000 0.266 1542 E C 0.033 176.657 176.600 0.040 0.000 1.012 1542 E CA -0.167 56.260 56.400 0.045 0.000 0.901 1542 E CB 1.228 30.937 29.700 0.014 0.000 0.967 1542 E HN 0.032 nan 8.360 nan 0.000 0.435 1543 V N 4.545 124.473 119.914 0.023 0.000 2.439 1543 V HA 0.349 4.469 4.120 -0.000 0.000 0.282 1543 V C 0.159 176.259 176.094 0.009 0.000 1.039 1543 V CA -0.395 61.915 62.300 0.016 0.000 0.913 1543 V CB 1.081 32.905 31.823 0.001 0.000 0.983 1543 V HN 0.611 nan 8.190 nan 0.000 0.460 1544 R N 2.946 123.453 120.500 0.012 0.000 2.628 1544 R HA 0.749 5.089 4.340 -0.000 0.000 0.288 1544 R C -1.716 174.589 176.300 0.008 0.000 0.980 1544 R CA -0.722 55.383 56.100 0.008 0.000 0.891 1544 R CB 2.626 32.930 30.300 0.006 0.000 1.188 1544 R HN 0.487 nan 8.270 nan 0.000 0.450 1545 V N 3.319 123.237 119.914 0.007 0.000 2.378 1545 V HA 0.167 4.287 4.120 -0.000 0.000 0.288 1545 V C -0.317 175.779 176.094 0.004 0.000 1.016 1545 V CA -0.527 61.777 62.300 0.007 0.000 0.840 1545 V CB 1.460 33.288 31.823 0.009 0.000 0.994 1545 V HN 0.884 nan 8.190 nan 0.000 0.431 1546 D N 4.400 124.801 120.400 0.001 0.000 2.772 1546 D HA -0.208 4.432 4.640 -0.000 0.000 0.233 1546 D C 1.335 177.635 176.300 0.001 0.000 1.143 1546 D CA 1.524 55.524 54.000 -0.000 0.000 0.700 1546 D CB -1.055 39.745 40.800 0.001 0.000 1.076 1546 D HN 1.357 nan 8.370 nan 0.000 0.430 1547 G N 0.156 108.957 108.800 0.001 0.000 2.267 1547 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.257 1547 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.257 1547 G C 0.169 175.071 174.900 0.002 0.000 0.998 1547 G CA 0.871 45.971 45.100 0.001 0.000 0.620 1547 G HN 0.731 nan 8.290 nan 0.000 0.529 1548 E N 0.835 121.038 120.200 0.003 0.000 2.313 1548 E HA 0.565 4.915 4.350 -0.000 0.000 0.276 1548 E C 0.156 176.760 176.600 0.005 0.000 1.031 1548 E CA -1.032 55.371 56.400 0.005 0.000 0.857 1548 E CB 1.500 31.204 29.700 0.006 0.000 1.040 1548 E HN 0.424 nan 8.360 nan 0.000 0.408 1549 L N 4.525 125.751 121.223 0.005 0.000 2.360 1549 L HA 0.199 4.539 4.340 -0.000 0.000 0.276 1549 L C -0.866 176.008 176.870 0.006 0.000 1.121 1549 L CA -0.147 54.696 54.840 0.005 0.000 0.845 1549 L CB 0.536 42.599 42.059 0.006 0.000 1.143 1549 L HN 0.581 nan 8.230 nan 0.000 0.452 1550 I N 5.378 125.949 120.570 0.002 0.000 2.330 1550 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 1550 I C 0.304 176.417 176.117 -0.007 0.000 1.001 1550 I CA -0.051 61.248 61.300 -0.002 0.000 1.193 1550 I CB 0.621 38.614 38.000 -0.012 0.000 1.345 1550 I HN 0.708 nan 8.210 nan 0.000 0.461 1551 T N 4.150 118.706 114.554 0.004 0.000 2.711 1551 T HA 0.743 5.093 4.350 -0.000 0.000 0.302 1551 T C -1.078 173.646 174.700 0.041 0.000 1.373 1551 T CA -0.282 61.825 62.100 0.011 0.000 1.000 1551 T CB 1.608 70.488 68.868 0.019 0.000 1.483 1551 T HN 0.773 nan 8.240 nan 0.000 0.499 1552 S N 0.743 116.492 115.700 0.082 0.000 2.611 1552 S HA 0.712 5.182 4.470 -0.000 0.000 0.268 1552 S C -1.848 172.878 174.600 0.211 0.000 1.156 1552 S CA -1.008 57.268 58.200 0.127 0.000 0.817 1552 S CB 1.759 65.040 63.200 0.135 0.000 1.122 1552 S HN 0.640 nan 8.310 nan 0.000 0.466 1553 E N 1.876 122.162 120.200 0.143 0.000 2.231 1553 E HA 0.504 4.854 4.350 -0.000 0.000 0.277 1553 E C -2.577 173.983 176.600 -0.068 0.000 0.999 1553 E CA -2.219 54.225 56.400 0.074 0.000 0.827 1553 E CB 1.382 31.094 29.700 0.020 0.000 1.101 1553 E HN 0.491 nan 8.360 nan 0.000 0.393 1554 P HA 0.143 nan 4.420 nan 0.000 0.276 1554 P C -0.836 176.284 177.300 -0.300 0.000 1.230 1554 P CA -0.290 62.372 63.100 -0.731 0.000 0.776 1554 P CB 0.866 31.919 31.700 -1.079 0.000 0.888 1555 A N 3.349 126.047 122.820 -0.203 0.000 2.388 1555 A HA 0.199 4.519 4.320 -0.000 0.000 0.257 1555 A C 1.258 178.794 177.584 -0.080 0.000 1.095 1555 A CA -0.345 51.642 52.037 -0.083 0.000 0.791 1555 A CB 0.044 19.035 19.000 -0.015 0.000 1.029 1555 A HN 0.657 nan 8.150 nan 0.000 0.489 1556 D N 0.949 121.323 120.400 -0.044 0.000 2.277 1556 D HA 0.074 4.714 4.640 -0.000 0.000 0.209 1556 D C 0.184 176.476 176.300 -0.013 0.000 0.970 1556 D CA 0.638 54.617 54.000 -0.034 0.000 0.874 1556 D CB -0.050 40.735 40.800 -0.026 0.000 0.982 1556 D HN 0.212 nan 8.370 nan 0.000 0.504 1557 V N 0.640 120.555 119.914 0.002 0.000 2.925 1557 V HA 0.444 4.564 4.120 -0.000 0.000 0.311 1557 V C -0.673 175.434 176.094 0.022 0.000 1.104 1557 V CA -0.893 61.414 62.300 0.011 0.000 0.954 1557 V CB 2.779 34.609 31.823 0.012 0.000 1.022 1557 V HN 0.063 nan 8.190 nan 0.000 0.427 1558 L N 4.681 125.912 121.223 0.014 0.000 2.371 1558 L HA 0.654 4.994 4.340 -0.000 0.000 0.262 1558 L C -2.351 174.498 176.870 -0.035 0.000 1.006 1558 L CA -1.626 53.213 54.840 -0.002 0.000 0.818 1558 L CB 3.082 45.149 42.059 0.014 0.000 1.354 1558 L HN 0.472 nan 8.230 nan 0.000 0.415 1559 P HA 0.264 nan 4.420 nan 0.000 0.277 1559 P C -0.185 177.119 177.300 0.007 0.000 1.271 1559 P CA -0.411 62.618 63.100 -0.118 0.000 0.795 1559 P CB 0.851 32.339 31.700 -0.354 0.000 1.101 1560 M N -2.516 117.157 119.600 0.121 0.000 2.461 1560 M HA -0.258 4.222 4.480 -0.000 0.000 0.203 1560 M C 0.320 176.789 176.300 0.281 0.000 0.428 1560 M CA 0.846 56.210 55.300 0.106 0.000 0.509 1560 M CB -2.132 30.446 32.600 -0.037 0.000 1.851 1560 M HN 0.586 nan 8.290 nan 0.000 0.834 1561 A N -0.326 122.700 122.820 0.345 0.000 2.522 1561 A HA 0.301 4.621 4.320 -0.000 0.000 0.204 1561 A C 1.061 178.875 177.584 0.383 0.000 1.826 1561 A CA 0.230 52.468 52.037 0.337 0.000 1.652 1561 A CB 0.036 19.128 19.000 0.153 0.000 1.452 1561 A HN 0.454 nan 8.150 nan 0.000 0.477 1562 Q N -0.219 119.699 119.800 0.197 0.000 2.443 1562 Q HA -0.091 4.249 4.340 -0.000 0.000 0.213 1562 Q C 1.890 177.915 176.000 0.042 0.000 0.982 1562 Q CA 1.101 56.981 55.803 0.129 0.000 0.894 1562 Q CB -0.064 28.709 28.738 0.059 0.000 0.947 1562 Q HN 0.507 nan 8.270 nan 0.000 0.480 1563 R N -0.691 119.786 120.500 -0.038 0.000 2.240 1563 R HA -0.064 4.276 4.340 -0.000 0.000 0.203 1563 R C 0.741 176.776 176.300 -0.442 0.000 1.011 1563 R CA 0.778 56.700 56.100 -0.297 0.000 1.007 1563 R CB 0.361 30.355 30.300 -0.509 0.000 0.911 1563 R HN 0.294 nan 8.270 nan 0.000 0.468 1564 Y N -2.038 118.205 120.300 -0.095 0.000 2.535 1564 Y HA 0.229 4.779 4.550 -0.000 0.000 0.266 1564 Y C -0.003 175.646 175.900 -0.418 0.000 1.088 1564 Y CA -0.357 57.582 58.100 -0.269 0.000 1.285 1564 Y CB 0.517 38.700 38.460 -0.461 0.000 1.166 1564 Y HN -0.177 nan 8.280 nan 0.000 0.525 1565 F N -0.012 120.055 119.950 0.195 0.000 2.421 1565 F HA 0.273 4.800 4.527 -0.000 0.000 0.337 1565 F C 0.810 176.635 175.800 0.042 0.000 1.105 1565 F CA -0.876 57.205 58.000 0.135 0.000 1.049 1565 F CB 1.415 40.495 39.000 0.134 0.000 1.139 1565 F HN -0.205 nan 8.300 nan 0.000 0.479 1566 L N 2.232 123.566 121.223 0.185 0.000 2.217 1566 L HA 0.152 4.492 4.340 -0.000 0.000 0.211 1566 L C -0.476 176.190 176.870 -0.340 0.000 1.107 1566 L CA 1.784 56.570 54.840 -0.090 0.000 0.783 1566 L CB -0.404 41.608 42.059 -0.078 0.000 0.919 1566 L HN 0.456 nan 8.230 nan 0.000 0.442 1567 F N 0.000 120.039 119.950 0.148 0.000 2.286 1567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1567 F CA 0.000 58.050 58.000 0.083 0.000 1.383 1567 F CB 0.000 39.030 39.000 0.050 0.000 1.145 1567 F HN 0.000 nan 8.300 nan 0.000 0.574