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 1ytm_1_B DATA FIRST_RESID 1002 DATA SEQUENCE SLSESLAKYG ITGATNIVHN PSHEELFAAE TQASLEGFEK GTVTEMGAVN DATA SEQUENCE VMTGVYTGRS PKDKFIVKNE ASKEIWWTSD EFKNDNKPVT EEAWAQLKAL DATA SEQUENCE AGKELSNKPL YVVDLFCGAN ENTRLKIRFV MEVAWQAHFV TNMFIRPTEE DATA SEQUENCE ELKGFEPDFV VLNASKAKVE NFKELGLNSE TAVVFNLAEK MQIILNTWYG DATA SEQUENCE GEMKKGMFSM MNFYLPLQGI AAMHCSANTD LEGKNTAIFF GLSGTGKTTL DATA SEQUENCE STDPKRLLIG DDEHGWDDDG VFNFEGGCYA KVINLSKENE PDIWGAIKRN DATA SEQUENCE ALLENVTVDA NGKVDFADKS VTENTRVSYP IFHIKNIVKP VSKAPAAKRV DATA SEQUENCE IFLSADAFGV LPPVSILSKE QTKYYFLSGF TAKLAGTERG ITEPTPTFSS DATA SEQUENCE CFGAAFLTLP PTKYAEVLVK RMEASGAKAY LVNTGWNGTG KRISIKDTRG DATA SEQUENCE IIDAILDGSI DTANTATIPY FNFTVPTELK GVDTKILDPR NTYADASEWE DATA SEQUENCE VKAKDLAERF QKNFKKF 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 0.000 174.559 174.600 -0.068 0.000 1.055 1002 S CA 0.000 58.176 58.200 -0.040 0.000 1.107 1002 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 1003 L N 2.932 124.098 121.223 -0.095 0.000 2.265 1003 L HA 0.240 4.580 4.340 -0.000 0.000 0.215 1003 L C 2.237 179.037 176.870 -0.117 0.000 1.117 1003 L CA 2.144 56.908 54.840 -0.128 0.000 0.782 1003 L CB -1.203 40.713 42.059 -0.238 0.000 0.914 1003 L HN 0.569 nan 8.230 nan 0.000 0.441 1004 S N -0.379 115.263 115.700 -0.097 0.000 2.419 1004 S HA -0.214 4.256 4.470 -0.000 0.000 0.233 1004 S C 1.965 176.509 174.600 -0.094 0.000 1.016 1004 S CA 1.499 59.650 58.200 -0.083 0.000 0.974 1004 S CB -0.195 62.966 63.200 -0.064 0.000 0.786 1004 S HN 0.682 nan 8.310 nan 0.000 0.492 1005 E N 0.393 120.532 120.200 -0.103 0.000 2.190 1005 E HA 0.175 4.525 4.350 -0.000 0.000 0.191 1005 E C 2.187 178.674 176.600 -0.188 0.000 0.978 1005 E CA 0.648 56.978 56.400 -0.117 0.000 0.839 1005 E CB -0.148 29.498 29.700 -0.089 0.000 0.787 1005 E HN 0.419 nan 8.360 nan 0.000 0.473 1006 S N 0.238 115.810 115.700 -0.213 0.000 2.400 1006 S HA -0.105 4.365 4.470 -0.000 0.000 0.232 1006 S C 1.741 175.908 174.600 -0.721 0.000 1.025 1006 S CA 0.732 58.710 58.200 -0.370 0.000 0.993 1006 S CB -0.169 62.899 63.200 -0.220 0.000 0.808 1006 S HN 0.250 nan 8.310 nan 0.000 0.478 1007 L N 0.813 121.805 121.223 -0.384 0.000 2.109 1007 L HA -0.063 4.277 4.340 -0.000 0.000 0.207 1007 L C 2.747 179.482 176.870 -0.225 0.000 1.086 1007 L CA 0.974 55.675 54.840 -0.231 0.000 0.760 1007 L CB -0.679 41.372 42.059 -0.014 0.000 0.910 1007 L HN 0.311 nan 8.230 nan 0.000 0.437 1008 A N 0.777 123.474 122.820 -0.204 0.000 1.940 1008 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 1008 A C 2.530 180.022 177.584 -0.154 0.000 1.176 1008 A CA 2.260 54.217 52.037 -0.134 0.000 0.631 1008 A CB -0.702 18.232 19.000 -0.111 0.000 0.814 1008 A HN 0.366 nan 8.150 nan 0.000 0.446 1009 K N -1.499 118.729 120.400 -0.286 0.000 2.574 1009 K HA 0.008 4.328 4.320 -0.000 0.000 0.193 1009 K C 1.160 177.686 176.600 -0.123 0.000 1.035 1009 K CA 1.279 57.422 56.287 -0.240 0.000 0.982 1009 K CB -0.855 31.457 32.500 -0.313 0.000 0.795 1009 K HN 0.730 nan 8.250 nan 0.000 0.491 1010 Y N -1.489 118.799 120.300 -0.019 0.000 2.445 1010 Y HA 0.377 4.927 4.550 -0.000 0.000 0.247 1010 Y C 1.779 177.653 175.900 -0.043 0.000 1.129 1010 Y CA -0.645 57.442 58.100 -0.022 0.000 1.251 1010 Y CB 0.609 39.053 38.460 -0.026 0.000 1.176 1010 Y HN 0.323 nan 8.280 nan 0.000 0.522 1011 G N 0.833 109.675 108.800 0.070 0.000 2.134 1011 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.209 1011 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.209 1011 G C -0.175 174.730 174.900 0.007 0.000 0.993 1011 G CA -0.183 44.927 45.100 0.016 0.000 0.669 1011 G HN 0.226 nan 8.290 nan 0.000 0.519 1012 I N 2.189 122.773 120.570 0.023 0.000 2.339 1012 I HA 0.607 4.777 4.170 -0.000 0.000 0.290 1012 I C 0.624 176.730 176.117 -0.019 0.000 0.994 1012 I CA -0.060 61.246 61.300 0.010 0.000 1.191 1012 I CB 1.783 39.813 38.000 0.049 0.000 1.343 1012 I HN 0.297 nan 8.210 nan 0.000 0.458 1013 T N 0.612 115.152 114.554 -0.024 0.000 2.841 1013 T HA 0.633 4.983 4.350 -0.000 0.000 0.296 1013 T C 0.502 175.185 174.700 -0.030 0.000 1.166 1013 T CA -0.261 61.820 62.100 -0.032 0.000 1.007 1013 T CB 1.733 70.582 68.868 -0.032 0.000 1.253 1013 T HN 0.969 nan 8.240 nan 0.000 0.511 1014 G N 0.233 109.014 108.800 -0.031 0.000 2.221 1014 G HA2 0.139 4.099 3.960 -0.000 0.000 0.265 1014 G HA3 0.139 4.099 3.960 -0.000 0.000 0.265 1014 G C 0.373 175.254 174.900 -0.032 0.000 1.041 1014 G CA 0.052 45.134 45.100 -0.029 0.000 0.807 1014 G HN 1.621 nan 8.290 nan 0.000 0.502 1015 A N 0.273 123.071 122.820 -0.037 0.000 2.491 1015 A HA 0.602 4.922 4.320 -0.000 0.000 0.261 1015 A C 1.747 179.304 177.584 -0.045 0.000 1.101 1015 A CA 1.308 53.318 52.037 -0.044 0.000 0.772 1015 A CB 0.144 19.114 19.000 -0.050 0.000 1.043 1015 A HN 1.601 nan 8.150 nan 0.000 0.501 1016 T N 0.220 114.746 114.554 -0.046 0.000 2.995 1016 T HA 0.024 4.374 4.350 -0.000 0.000 0.269 1016 T C 0.608 175.277 174.700 -0.052 0.000 1.091 1016 T CA 1.185 63.259 62.100 -0.043 0.000 1.128 1016 T CB -0.340 68.505 68.868 -0.038 0.000 0.891 1016 T HN 0.750 nan 8.240 nan 0.000 0.492 1017 N N -0.919 117.738 118.700 -0.072 0.000 2.935 1017 N HA 0.479 5.219 4.740 -0.000 0.000 0.248 1017 N C -2.340 173.099 175.510 -0.119 0.000 1.276 1017 N CA -0.790 52.208 53.050 -0.086 0.000 0.906 1017 N CB 1.411 39.841 38.487 -0.095 0.000 1.564 1017 N HN 0.224 nan 8.380 nan 0.000 0.500 1018 I N 1.959 122.465 120.570 -0.108 0.000 2.534 1018 I HA 0.330 4.500 4.170 -0.000 0.000 0.286 1018 I C -0.925 175.141 176.117 -0.086 0.000 1.094 1018 I CA -0.977 60.253 61.300 -0.116 0.000 1.055 1018 I CB 2.048 40.000 38.000 -0.080 0.000 1.225 1018 I HN 0.191 nan 8.210 nan 0.000 0.435 1019 V N 5.357 125.197 119.914 -0.123 0.000 2.333 1019 V HA 0.228 4.348 4.120 -0.000 0.000 0.274 1019 V C 0.062 176.237 176.094 0.135 0.000 1.028 1019 V CA -0.433 61.867 62.300 0.000 0.000 0.851 1019 V CB 0.986 32.811 31.823 0.003 0.000 1.000 1019 V HN 0.652 nan 8.190 nan 0.000 0.456 1020 H N 5.558 124.634 119.070 0.011 0.000 2.652 1020 H HA 0.237 4.793 4.556 -0.000 0.000 0.298 1020 H C 0.339 175.668 175.328 0.001 0.000 1.076 1020 H CA -0.639 55.411 56.048 0.004 0.000 1.360 1020 H CB 0.272 30.025 29.762 -0.014 0.000 1.421 1020 H HN 0.833 nan 8.280 nan 0.000 0.464 1021 N N 4.023 122.742 118.700 0.032 0.000 2.642 1021 N HA -0.155 4.585 4.740 -0.000 0.000 0.269 1021 N C -2.614 172.860 175.510 -0.060 0.000 1.073 1021 N CA 0.371 53.352 53.050 -0.114 0.000 0.748 1021 N CB -0.440 37.843 38.487 -0.341 0.000 0.894 1021 N HN 0.580 nan 8.380 nan 0.000 0.548 1022 P HA 0.081 nan 4.420 nan 0.000 0.269 1022 P C 0.025 177.292 177.300 -0.055 0.000 1.215 1022 P CA -0.253 62.865 63.100 0.029 0.000 0.780 1022 P CB 0.799 32.566 31.700 0.112 0.000 0.898 1023 S N 0.827 116.506 115.700 -0.036 0.000 2.669 1023 S HA 0.154 4.624 4.470 -0.000 0.000 0.270 1023 S C 1.357 175.913 174.600 -0.073 0.000 1.225 1023 S CA -0.412 57.748 58.200 -0.068 0.000 0.991 1023 S CB 0.162 63.361 63.200 -0.001 0.000 0.987 1023 S HN 0.430 nan 8.310 nan 0.000 0.552 1024 H N 0.999 120.069 119.070 -0.000 0.000 2.352 1024 H HA -0.051 4.505 4.556 -0.000 0.000 0.299 1024 H C 1.845 177.173 175.328 0.000 0.000 1.097 1024 H CA 2.196 58.218 56.048 -0.043 0.000 1.311 1024 H CB -0.315 29.457 29.762 0.017 0.000 1.377 1024 H HN 0.731 nan 8.280 nan 0.000 0.504 1025 E N 0.834 121.126 120.200 0.153 0.000 2.051 1025 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 1025 E C 2.264 178.960 176.600 0.161 0.000 0.991 1025 E CA 0.947 57.428 56.400 0.135 0.000 0.799 1025 E CB -0.168 29.584 29.700 0.086 0.000 0.748 1025 E HN 0.568 nan 8.360 nan 0.000 0.449 1026 E N 0.287 120.553 120.200 0.109 0.000 2.038 1026 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 1026 E C 2.164 178.828 176.600 0.108 0.000 1.000 1026 E CA 1.016 57.482 56.400 0.110 0.000 0.803 1026 E CB -0.242 29.515 29.700 0.096 0.000 0.750 1026 E HN 0.203 nan 8.360 nan 0.000 0.448 1027 L N 0.117 121.368 121.223 0.047 0.000 2.042 1027 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 1027 L C 2.445 179.345 176.870 0.049 0.000 1.076 1027 L CA 1.045 55.872 54.840 -0.022 0.000 0.749 1027 L CB -0.426 41.521 42.059 -0.187 0.000 0.893 1027 L HN 0.135 nan 8.230 nan 0.000 0.432 1028 F N 0.724 120.660 119.950 -0.024 0.000 2.102 1028 F HA -0.250 4.277 4.527 0.000 0.000 0.298 1028 F C 2.435 178.265 175.800 0.051 0.000 1.105 1028 F CA 1.330 59.344 58.000 0.023 0.000 1.239 1028 F CB -0.285 38.730 39.000 0.025 0.000 0.991 1028 F HN 0.002 nan 8.300 nan 0.000 0.474 1029 A N 0.378 123.278 122.820 0.133 0.000 1.877 1029 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 1029 A C 2.399 179.981 177.584 -0.003 0.000 1.186 1029 A CA 1.917 53.988 52.037 0.056 0.000 0.620 1029 A CB -1.599 17.480 19.000 0.132 0.000 0.822 1029 A HN 0.508 nan 8.150 nan 0.000 0.443 1030 A N -0.345 122.506 122.820 0.050 0.000 1.930 1030 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 1030 A C 1.899 179.514 177.584 0.051 0.000 1.175 1030 A CA 1.583 53.671 52.037 0.085 0.000 0.627 1030 A CB -0.469 18.637 19.000 0.176 0.000 0.815 1030 A HN 0.640 nan 8.150 nan 0.000 0.443 1031 E N -0.415 119.791 120.200 0.010 0.000 2.107 1031 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 1031 E C 1.495 178.062 176.600 -0.055 0.000 0.982 1031 E CA 1.404 57.827 56.400 0.038 0.000 0.809 1031 E CB -0.225 29.515 29.700 0.066 0.000 0.756 1031 E HN 0.759 nan 8.360 nan 0.000 0.459 1032 T N -0.421 114.009 114.554 -0.208 0.000 3.324 1032 T HA 0.082 4.432 4.350 -0.000 0.000 0.250 1032 T C 0.476 175.109 174.700 -0.112 0.000 1.059 1032 T CA -0.318 61.643 62.100 -0.233 0.000 0.951 1032 T CB 0.144 68.717 68.868 -0.492 0.000 1.030 1032 T HN -0.169 nan 8.240 nan 0.000 0.576 1033 Q N 0.910 120.683 119.800 -0.045 0.000 2.297 1033 Q HA 0.444 4.784 4.340 -0.000 0.000 0.267 1033 Q C 1.336 177.333 176.000 -0.005 0.000 1.006 1033 Q CA 0.075 55.872 55.803 -0.009 0.000 0.896 1033 Q CB 1.368 30.119 28.738 0.023 0.000 1.186 1033 Q HN 0.480 nan 8.270 nan 0.000 0.392 1034 A N 2.742 125.558 122.820 -0.006 0.000 2.019 1034 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 1034 A C 1.854 179.439 177.584 0.001 0.000 1.164 1034 A CA 1.742 53.776 52.037 -0.005 0.000 0.644 1034 A CB -0.139 18.859 19.000 -0.003 0.000 0.805 1034 A HN 0.724 nan 8.150 nan 0.000 0.449 1035 S N -0.789 114.916 115.700 0.007 0.000 2.562 1035 S HA 0.247 4.717 4.470 -0.000 0.000 0.221 1035 S C 0.571 175.179 174.600 0.013 0.000 0.975 1035 S CA -0.361 57.844 58.200 0.009 0.000 0.918 1035 S CB -0.642 62.565 63.200 0.012 0.000 0.772 1035 S HN 0.380 nan 8.310 nan 0.000 0.531 1036 L N 2.733 123.969 121.223 0.023 0.000 2.485 1036 L HA 0.189 4.529 4.340 -0.000 0.000 0.275 1036 L C 0.687 177.567 176.870 0.016 0.000 1.207 1036 L CA 0.118 54.981 54.840 0.038 0.000 0.855 1036 L CB 0.349 42.447 42.059 0.066 0.000 1.114 1036 L HN 0.535 nan 8.230 nan 0.000 0.485 1037 E N 1.809 122.014 120.200 0.008 0.000 2.339 1037 E HA 0.679 5.029 4.350 -0.000 0.000 0.262 1037 E C 0.416 176.962 176.600 -0.090 0.000 0.934 1037 E CA -0.458 55.919 56.400 -0.039 0.000 0.802 1037 E CB 1.477 31.149 29.700 -0.046 0.000 1.275 1037 E HN 0.643 nan 8.360 nan 0.000 0.427 1038 G N 0.860 109.552 108.800 -0.181 0.000 2.614 1038 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.303 1038 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.303 1038 G C 0.352 175.058 174.900 -0.324 0.000 1.270 1038 G CA 0.576 45.438 45.100 -0.397 0.000 0.988 1038 G HN 0.645 nan 8.290 nan 0.000 0.551 1039 F N 1.758 121.463 119.950 -0.408 0.000 2.802 1039 F HA 0.170 4.697 4.527 -0.000 0.000 0.300 1039 F C 2.541 178.282 175.800 -0.097 0.000 1.168 1039 F CA 1.034 58.720 58.000 -0.523 0.000 1.433 1039 F CB 0.059 38.202 39.000 -1.429 0.000 1.115 1039 F HN 0.442 nan 8.300 nan 0.000 0.582 1040 E N 0.537 120.827 120.200 0.150 0.000 2.250 1040 E HA -0.028 4.322 4.350 -0.000 0.000 0.192 1040 E C 0.437 177.246 176.600 0.348 0.000 0.986 1040 E CA 0.059 56.712 56.400 0.423 0.000 0.849 1040 E CB 0.099 29.952 29.700 0.255 0.000 0.797 1040 E HN 0.301 nan 8.360 nan 0.000 0.482 1041 K N 1.128 121.616 120.400 0.147 0.000 2.550 1041 K HA 0.104 4.424 4.320 -0.000 0.000 0.280 1041 K C 0.140 176.759 176.600 0.032 0.000 0.987 1041 K CA 0.306 56.633 56.287 0.067 0.000 1.048 1041 K CB 0.526 33.031 32.500 0.008 0.000 0.879 1041 K HN 0.021 nan 8.250 nan 0.000 0.491 1042 G N 1.940 110.746 108.800 0.010 0.000 2.626 1042 G HA2 0.320 4.280 3.960 -0.000 0.000 0.304 1042 G HA3 0.320 4.280 3.960 -0.000 0.000 0.304 1042 G C -0.886 173.976 174.900 -0.063 0.000 1.385 1042 G CA -0.478 44.596 45.100 -0.044 0.000 0.957 1042 G HN 0.402 nan 8.290 nan 0.000 0.504 1043 T N 1.374 115.886 114.554 -0.070 0.000 2.794 1043 T HA 0.382 4.732 4.350 -0.000 0.000 0.280 1043 T C 0.104 174.781 174.700 -0.038 0.000 0.987 1043 T CA -0.388 61.679 62.100 -0.055 0.000 0.993 1043 T CB 2.002 70.837 68.868 -0.054 0.000 0.939 1043 T HN 0.553 nan 8.240 nan 0.000 0.449 1044 V N 5.403 125.308 119.914 -0.015 0.000 2.455 1044 V HA 0.469 4.589 4.120 -0.000 0.000 0.273 1044 V C 0.648 176.759 176.094 0.028 0.000 1.045 1044 V CA -0.097 62.233 62.300 0.049 0.000 0.976 1044 V CB 0.444 32.339 31.823 0.119 0.000 0.993 1044 V HN 1.111 nan 8.190 nan 0.000 0.475 1045 T N 2.597 117.163 114.554 0.019 0.000 2.862 1045 T HA 0.348 4.698 4.350 -0.000 0.000 0.276 1045 T C 1.105 175.803 174.700 -0.004 0.000 0.974 1045 T CA 0.113 62.200 62.100 -0.022 0.000 0.966 1045 T CB 1.170 69.995 68.868 -0.072 0.000 1.072 1045 T HN 0.860 nan 8.240 nan 0.000 0.538 1046 E N 0.343 120.531 120.200 -0.021 0.000 2.265 1046 E HA -0.150 4.200 4.350 -0.000 0.000 0.196 1046 E C 1.689 178.291 176.600 0.004 0.000 0.996 1046 E CA 0.928 57.328 56.400 0.001 0.000 0.832 1046 E CB -0.442 29.261 29.700 0.005 0.000 0.756 1046 E HN 0.708 nan 8.360 nan 0.000 0.491 1047 M N 0.028 119.614 119.600 -0.024 0.000 2.618 1047 M HA 0.165 4.645 4.480 -0.000 0.000 0.240 1047 M C 1.407 177.696 176.300 -0.019 0.000 1.123 1047 M CA 0.890 56.167 55.300 -0.038 0.000 1.060 1047 M CB 0.612 33.140 32.600 -0.120 0.000 1.535 1047 M HN 0.491 nan 8.290 nan 0.000 0.507 1048 G N 0.495 109.301 108.800 0.011 0.000 2.317 1048 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.227 1048 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.227 1048 G C 0.327 175.278 174.900 0.086 0.000 1.042 1048 G CA -0.047 45.072 45.100 0.032 0.000 0.623 1048 G HN 0.665 nan 8.290 nan 0.000 0.509 1049 A N 0.347 123.204 122.820 0.063 0.000 2.386 1049 A HA 0.687 5.007 4.320 -0.000 0.000 0.248 1049 A C 0.589 178.242 177.584 0.115 0.000 1.082 1049 A CA 0.471 52.571 52.037 0.104 0.000 0.789 1049 A CB 0.961 19.998 19.000 0.062 0.000 1.025 1049 A HN 1.170 nan 8.150 nan 0.000 0.490 1050 V N 2.013 122.018 119.914 0.153 0.000 2.567 1050 V HA 0.276 4.396 4.120 -0.000 0.000 0.289 1050 V C 0.269 176.362 176.094 -0.001 0.000 1.049 1050 V CA -0.352 62.001 62.300 0.089 0.000 0.969 1050 V CB 1.382 33.280 31.823 0.124 0.000 0.995 1050 V HN 1.004 nan 8.190 nan 0.000 0.471 1051 N N 2.488 121.152 118.700 -0.060 0.000 2.314 1051 N HA 0.740 5.480 4.740 -0.000 0.000 0.304 1051 N C -1.070 174.324 175.510 -0.193 0.000 1.073 1051 N CA -0.515 52.464 53.050 -0.119 0.000 0.822 1051 N CB 2.088 40.509 38.487 -0.110 0.000 1.280 1051 N HN 0.588 nan 8.380 nan 0.000 0.489 1052 V N 0.002 119.733 119.914 -0.304 0.000 3.007 1052 V HA 0.688 4.808 4.120 -0.000 0.000 0.311 1052 V C -0.818 175.073 176.094 -0.338 0.000 1.120 1052 V CA -0.962 61.081 62.300 -0.428 0.000 0.980 1052 V CB 2.024 33.246 31.823 -1.001 0.000 1.033 1052 V HN 0.512 nan 8.190 nan 0.000 0.429 1053 M N 2.919 122.386 119.600 -0.222 0.000 2.537 1053 M HA 0.565 5.045 4.480 -0.000 0.000 0.324 1053 M C 0.531 176.736 176.300 -0.158 0.000 1.187 1053 M CA -0.096 55.125 55.300 -0.130 0.000 0.993 1053 M CB 1.546 34.127 32.600 -0.031 0.000 1.666 1053 M HN 1.034 nan 8.290 nan 0.000 0.461 1054 T N -2.380 112.055 114.554 -0.198 0.000 3.252 1054 T HA 0.506 4.856 4.350 -0.000 0.000 0.286 1054 T C 0.857 175.164 174.700 -0.655 0.000 1.013 1054 T CA 0.145 62.055 62.100 -0.318 0.000 0.914 1054 T CB -0.205 68.740 68.868 0.129 0.000 1.131 1054 T HN 1.048 nan 8.240 nan 0.000 0.529 1055 G N 2.167 110.544 108.800 -0.705 0.000 2.574 1055 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.286 1055 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.286 1055 G C 0.997 175.767 174.900 -0.217 0.000 1.212 1055 G CA 1.399 46.243 45.100 -0.427 0.000 0.979 1055 G HN 1.318 nan 8.290 nan 0.000 0.557 1056 V N -2.646 117.095 119.914 -0.289 0.000 3.141 1056 V HA 0.226 4.346 4.120 -0.000 0.000 0.265 1056 V C 1.564 177.410 176.094 -0.415 0.000 1.126 1056 V CA 1.934 64.017 62.300 -0.361 0.000 1.141 1056 V CB -0.867 30.689 31.823 -0.445 0.000 0.743 1056 V HN 0.707 nan 8.190 nan 0.000 0.492 1057 Y N 2.653 122.926 120.300 -0.046 0.000 2.724 1057 Y HA 0.366 4.916 4.550 -0.000 0.000 0.354 1057 Y C 1.763 177.681 175.900 0.030 0.000 1.270 1057 Y CA 0.244 58.352 58.100 0.013 0.000 1.902 1057 Y CB -0.796 37.733 38.460 0.116 0.000 1.981 1057 Y HN 0.316 nan 8.280 nan 0.000 0.428 1058 T N -2.685 111.869 114.554 0.000 0.000 3.144 1058 T HA 0.513 4.863 4.350 -0.000 0.000 0.249 1058 T C 0.802 175.339 174.700 -0.272 0.000 1.089 1058 T CA 0.188 62.288 62.100 0.001 0.000 0.989 1058 T CB 0.119 68.972 68.868 -0.024 0.000 0.992 1058 T HN 0.551 nan 8.240 nan 0.000 0.540 1059 G N 0.265 108.708 108.800 -0.596 0.000 2.600 1059 G HA2 0.541 4.501 3.960 -0.000 0.000 0.293 1059 G HA3 0.541 4.501 3.960 -0.000 0.000 0.293 1059 G C -1.292 173.119 174.900 -0.816 0.000 1.408 1059 G CA -1.343 43.149 45.100 -1.013 0.000 0.782 1059 G HN 0.215 nan 8.290 nan 0.000 0.482 1060 R N -0.414 119.809 120.500 -0.461 0.000 2.738 1060 R HA 0.415 4.755 4.340 -0.000 0.000 0.268 1060 R C -0.274 176.034 176.300 0.013 0.000 1.062 1060 R CA 0.151 56.238 56.100 -0.022 0.000 1.158 1060 R CB 0.601 30.995 30.300 0.156 0.000 1.046 1060 R HN 0.292 nan 8.270 nan 0.000 0.493 1061 S N 2.962 118.721 115.700 0.098 0.000 2.217 1061 S HA 0.145 4.615 4.470 -0.000 0.000 0.168 1061 S C -1.646 172.996 174.600 0.071 0.000 1.526 1061 S CA -1.085 57.167 58.200 0.087 0.000 1.150 1061 S CB 1.106 64.389 63.200 0.138 0.000 1.158 1061 S HN 0.563 nan 8.310 nan 0.000 0.473 1062 P HA -0.117 nan 4.420 nan 0.000 0.220 1062 P C 0.954 178.214 177.300 -0.067 0.000 1.148 1062 P CA 0.969 64.056 63.100 -0.022 0.000 0.803 1062 P CB 0.264 31.928 31.700 -0.060 0.000 0.782 1063 K N -0.384 119.993 120.400 -0.038 0.000 2.283 1063 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 1063 K C 0.746 177.333 176.600 -0.022 0.000 1.048 1063 K CA 0.914 57.171 56.287 -0.049 0.000 0.948 1063 K CB -0.114 32.387 32.500 0.001 0.000 0.742 1063 K HN 0.186 nan 8.250 nan 0.000 0.458 1064 D N 0.653 121.093 120.400 0.067 0.000 2.424 1064 D HA -0.007 4.633 4.640 -0.000 0.000 0.220 1064 D C -0.212 176.266 176.300 0.297 0.000 1.150 1064 D CA 0.156 54.325 54.000 0.282 0.000 0.831 1064 D CB 0.415 41.352 40.800 0.228 0.000 0.981 1064 D HN 0.047 nan 8.370 nan 0.000 0.500 1065 K N 0.973 121.355 120.400 -0.029 0.000 2.227 1065 K HA 0.363 4.683 4.320 -0.000 0.000 0.280 1065 K C -1.187 175.286 176.600 -0.212 0.000 1.041 1065 K CA -0.192 56.133 56.287 0.064 0.000 0.905 1065 K CB 0.572 33.105 32.500 0.056 0.000 1.068 1065 K HN -0.306 nan 8.250 nan 0.000 0.470 1066 F N 3.696 123.788 119.950 0.237 0.000 2.613 1066 F HA 0.536 5.063 4.527 -0.000 0.000 0.314 1066 F C -0.307 175.679 175.800 0.309 0.000 1.075 1066 F CA -0.885 57.255 58.000 0.233 0.000 0.945 1066 F CB 1.560 40.679 39.000 0.198 0.000 1.310 1066 F HN 0.226 nan 8.300 nan 0.000 0.467 1067 I N 2.000 122.857 120.570 0.479 0.000 2.499 1067 I HA 0.313 4.483 4.170 -0.000 0.000 0.288 1067 I C -0.951 175.425 176.117 0.430 0.000 1.048 1067 I CA -1.118 60.413 61.300 0.383 0.000 1.062 1067 I CB 2.121 40.211 38.000 0.150 0.000 1.238 1067 I HN 0.306 nan 8.210 nan 0.000 0.426 1068 V N 6.884 126.945 119.914 0.245 0.000 2.572 1068 V HA 0.125 4.245 4.120 -0.000 0.000 0.291 1068 V C 0.430 176.643 176.094 0.198 0.000 1.039 1068 V CA 0.019 62.410 62.300 0.151 0.000 1.055 1068 V CB 0.992 32.792 31.823 -0.039 0.000 0.969 1068 V HN 0.579 nan 8.190 nan 0.000 0.482 1069 K N 5.763 126.199 120.400 0.061 0.000 2.338 1069 K HA 0.285 4.604 4.320 -0.000 0.000 0.290 1069 K C -0.601 176.009 176.600 0.017 0.000 1.069 1069 K CA 0.418 56.677 56.287 -0.046 0.000 0.941 1069 K CB -0.024 32.234 32.500 -0.403 0.000 1.023 1069 K HN 0.891 nan 8.250 nan 0.000 0.477 1070 N N 1.545 120.304 118.700 0.099 0.000 2.774 1070 N HA 0.170 4.910 4.740 -0.000 0.000 0.264 1070 N C 0.309 175.872 175.510 0.088 0.000 1.415 1070 N CA -0.693 52.390 53.050 0.055 0.000 0.815 1070 N CB 0.783 39.281 38.487 0.018 0.000 1.514 1070 N HN 0.270 nan 8.380 nan 0.000 0.523 1071 E N 0.223 120.462 120.200 0.065 0.000 2.265 1071 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 1071 E C 1.124 177.788 176.600 0.107 0.000 0.996 1071 E CA 0.660 57.108 56.400 0.080 0.000 0.832 1071 E CB -0.145 29.589 29.700 0.058 0.000 0.756 1071 E HN 0.615 nan 8.360 nan 0.000 0.491 1072 A N 0.878 123.756 122.820 0.097 0.000 1.970 1072 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 1072 A C 1.978 179.645 177.584 0.138 0.000 1.170 1072 A CA 1.241 53.353 52.037 0.125 0.000 0.645 1072 A CB 0.006 19.058 19.000 0.086 0.000 0.816 1072 A HN 0.200 nan 8.150 nan 0.000 0.447 1073 S N -1.698 114.066 115.700 0.106 0.000 2.561 1073 S HA 0.407 4.877 4.470 -0.000 0.000 0.245 1073 S C 1.282 176.034 174.600 0.253 0.000 1.001 1073 S CA 0.584 58.813 58.200 0.049 0.000 1.002 1073 S CB 0.210 63.453 63.200 0.073 0.000 0.805 1073 S HN 0.578 nan 8.310 nan 0.000 0.458 1074 K N 1.746 122.297 120.400 0.252 0.000 2.209 1074 K HA 0.031 4.351 4.320 -0.000 0.000 0.204 1074 K C 1.444 178.224 176.600 0.301 0.000 1.048 1074 K CA 1.541 57.998 56.287 0.283 0.000 0.940 1074 K CB -0.895 31.718 32.500 0.188 0.000 0.729 1074 K HN 0.711 nan 8.250 nan 0.000 0.451 1075 E N 0.086 120.447 120.200 0.269 0.000 2.419 1075 E HA 0.202 4.552 4.350 -0.000 0.000 0.190 1075 E C -0.325 176.377 176.600 0.171 0.000 1.040 1075 E CA -0.500 56.050 56.400 0.248 0.000 0.900 1075 E CB 0.251 30.105 29.700 0.257 0.000 1.054 1075 E HN 0.361 nan 8.360 nan 0.000 0.462 1076 I N 1.132 121.613 120.570 -0.147 0.000 2.634 1076 I HA -0.065 4.105 4.170 -0.000 0.000 0.284 1076 I C 0.268 176.013 176.117 -0.621 0.000 1.124 1076 I CA -0.242 60.662 61.300 -0.660 0.000 1.417 1076 I CB 0.268 37.340 38.000 -1.546 0.000 1.396 1076 I HN 0.322 nan 8.210 nan 0.000 0.571 1077 W N 8.488 129.459 121.300 -0.549 0.000 1.564 1077 W HA 0.210 4.870 4.660 -0.000 0.000 0.480 1077 W C -0.513 175.796 176.519 -0.351 0.000 0.699 1077 W CA -1.458 55.681 57.345 -0.344 0.000 1.985 1077 W CB -0.432 28.883 29.460 -0.242 0.000 1.738 1077 W HN 0.362 nan 8.180 nan 0.000 0.218 1078 W N 3.166 124.363 121.300 -0.173 0.000 2.170 1078 W HA 0.152 4.812 4.660 -0.000 0.000 0.342 1078 W C 1.491 177.731 176.519 -0.464 0.000 1.294 1078 W CA -0.032 57.154 57.345 -0.265 0.000 1.246 1078 W CB 0.158 29.537 29.460 -0.135 0.000 1.156 1078 W HN 0.007 nan 8.180 nan 0.000 0.572 1079 T N 1.524 115.977 114.554 -0.168 0.000 2.802 1079 T HA 0.413 4.763 4.350 -0.000 0.000 0.305 1079 T C 0.069 174.681 174.700 -0.147 0.000 1.053 1079 T CA 0.317 62.245 62.100 -0.288 0.000 1.058 1079 T CB 0.180 68.927 68.868 -0.202 0.000 0.988 1079 T HN 0.632 nan 8.240 nan 0.000 0.539 1080 S N 1.451 117.070 115.700 -0.136 0.000 2.578 1080 S HA 0.284 4.754 4.470 -0.000 0.000 0.272 1080 S C -0.095 174.483 174.600 -0.037 0.000 1.145 1080 S CA -0.754 57.411 58.200 -0.058 0.000 0.835 1080 S CB 0.892 64.075 63.200 -0.029 0.000 1.104 1080 S HN 0.611 nan 8.310 nan 0.000 0.458 1081 D N 0.960 121.347 120.400 -0.021 0.000 2.263 1081 D HA 0.019 4.659 4.640 -0.000 0.000 0.208 1081 D C 1.348 177.639 176.300 -0.015 0.000 0.971 1081 D CA 1.493 55.482 54.000 -0.018 0.000 0.867 1081 D CB 0.025 40.815 40.800 -0.016 0.000 0.929 1081 D HN 0.613 nan 8.370 nan 0.000 0.492 1082 E N -0.110 120.091 120.200 0.001 0.000 2.008 1082 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 1082 E C 0.195 176.814 176.600 0.031 0.000 0.986 1082 E CA 0.630 57.033 56.400 0.004 0.000 0.807 1082 E CB 0.022 29.740 29.700 0.031 0.000 0.766 1082 E HN 0.281 nan 8.360 nan 0.000 0.450 1083 F N 1.598 121.482 119.950 -0.110 0.000 2.691 1083 F HA 0.253 4.780 4.527 -0.000 0.000 0.371 1083 F C -0.652 175.008 175.800 -0.233 0.000 1.159 1083 F CA -1.185 56.739 58.000 -0.126 0.000 1.174 1083 F CB 0.474 39.460 39.000 -0.023 0.000 1.419 1083 F HN -0.159 nan 8.300 nan 0.000 0.514 1084 K N 2.732 123.203 120.400 0.120 0.000 2.202 1084 K HA 0.484 4.804 4.320 -0.000 0.000 0.264 1084 K C -0.914 175.542 176.600 -0.240 0.000 1.010 1084 K CA -0.404 55.814 56.287 -0.114 0.000 0.940 1084 K CB 1.043 33.504 32.500 -0.066 0.000 0.983 1084 K HN 0.628 nan 8.250 nan 0.000 0.475 1085 N N 0.012 118.457 118.700 -0.425 0.000 3.506 1085 N HA 0.193 4.933 4.740 -0.000 0.000 0.331 1085 N C -0.873 174.446 175.510 -0.318 0.000 1.631 1085 N CA -0.820 51.956 53.050 -0.456 0.000 0.786 1085 N CB 0.342 38.270 38.487 -0.930 0.000 2.023 1085 N HN 0.499 nan 8.380 nan 0.000 0.621 1086 D N -1.198 119.030 120.400 -0.287 0.000 2.349 1086 D HA 0.083 4.723 4.640 -0.000 0.000 0.214 1086 D C -0.545 175.606 176.300 -0.248 0.000 1.063 1086 D CA 0.260 54.116 54.000 -0.241 0.000 0.847 1086 D CB -0.563 40.120 40.800 -0.195 0.000 0.933 1086 D HN 0.478 nan 8.370 nan 0.000 0.513 1087 N N 1.602 120.143 118.700 -0.266 0.000 2.971 1087 N HA 0.041 4.781 4.740 -0.000 0.000 0.294 1087 N C -0.391 175.107 175.510 -0.020 0.000 1.210 1087 N CA 0.067 52.993 53.050 -0.206 0.000 1.157 1087 N CB 0.241 38.520 38.487 -0.346 0.000 1.450 1087 N HN -0.112 nan 8.380 nan 0.000 0.527 1088 K N 2.827 123.193 120.400 -0.058 0.000 2.284 1088 K HA 0.195 4.515 4.320 -0.000 0.000 0.287 1088 K C -2.183 174.621 176.600 0.340 0.000 1.081 1088 K CA -1.663 54.645 56.287 0.035 0.000 0.910 1088 K CB 0.809 33.115 32.500 -0.324 0.000 1.088 1088 K HN 0.237 nan 8.250 nan 0.000 0.478 1089 P HA 0.006 nan 4.420 nan 0.000 0.269 1089 P C -0.610 176.832 177.300 0.236 0.000 1.215 1089 P CA -0.251 62.994 63.100 0.242 0.000 0.780 1089 P CB 1.164 32.648 31.700 -0.360 0.000 0.898 1090 V N 0.975 120.998 119.914 0.182 0.000 3.049 1090 V HA 0.374 4.494 4.120 -0.000 0.000 0.309 1090 V C -0.172 175.964 176.094 0.071 0.000 1.148 1090 V CA -0.618 61.760 62.300 0.131 0.000 0.990 1090 V CB 2.341 34.263 31.823 0.165 0.000 1.039 1090 V HN 0.774 nan 8.190 nan 0.000 0.430 1091 T N 2.189 116.770 114.554 0.044 0.000 2.899 1091 T HA 0.167 4.517 4.350 -0.000 0.000 0.295 1091 T C 0.980 175.734 174.700 0.091 0.000 1.033 1091 T CA 0.077 62.198 62.100 0.036 0.000 1.084 1091 T CB 1.022 69.899 68.868 0.015 0.000 0.979 1091 T HN 0.844 nan 8.240 nan 0.000 0.532 1092 E N 1.751 121.996 120.200 0.075 0.000 2.265 1092 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 1092 E C 1.835 178.530 176.600 0.160 0.000 0.996 1092 E CA 1.411 57.884 56.400 0.122 0.000 0.832 1092 E CB 0.106 29.847 29.700 0.069 0.000 0.756 1092 E HN 0.896 nan 8.360 nan 0.000 0.491 1093 E N -0.271 119.987 120.200 0.095 0.000 2.285 1093 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 1093 E C 1.786 178.427 176.600 0.067 0.000 0.997 1093 E CA 1.057 57.499 56.400 0.071 0.000 0.845 1093 E CB -0.277 29.443 29.700 0.034 0.000 0.782 1093 E HN 0.113 nan 8.360 nan 0.000 0.491 1094 A N 1.078 123.948 122.820 0.083 0.000 1.930 1094 A HA -0.053 4.267 4.320 -0.000 0.000 0.215 1094 A C 1.938 179.578 177.584 0.093 0.000 1.176 1094 A CA 0.934 53.005 52.037 0.057 0.000 0.632 1094 A CB -1.286 17.738 19.000 0.040 0.000 0.819 1094 A HN 0.633 nan 8.150 nan 0.000 0.445 1095 W N 0.917 122.210 121.300 -0.012 0.000 2.465 1095 W HA -0.045 4.615 4.660 -0.000 0.000 0.268 1095 W C 1.804 178.319 176.519 -0.007 0.000 1.242 1095 W CA 1.294 58.637 57.345 -0.003 0.000 1.248 1095 W CB -0.052 29.421 29.460 0.021 0.000 1.118 1095 W HN 0.409 nan 8.180 nan 0.000 0.587 1096 A N 0.581 123.410 122.820 0.016 0.000 1.970 1096 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 1096 A C 1.922 179.423 177.584 -0.139 0.000 1.170 1096 A CA 1.257 53.252 52.037 -0.069 0.000 0.645 1096 A CB -0.617 18.401 19.000 0.029 0.000 0.816 1096 A HN 0.465 nan 8.150 nan 0.000 0.447 1097 Q N -0.733 119.002 119.800 -0.107 0.000 2.269 1097 Q HA 0.138 4.478 4.340 -0.000 0.000 0.201 1097 Q C 1.797 177.703 176.000 -0.158 0.000 0.946 1097 Q CA 0.698 56.438 55.803 -0.107 0.000 0.877 1097 Q CB -0.059 28.640 28.738 -0.065 0.000 0.963 1097 Q HN 0.645 nan 8.270 nan 0.000 0.472 1098 L N 0.301 121.388 121.223 -0.226 0.000 2.162 1098 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 1098 L C 2.397 179.023 176.870 -0.407 0.000 1.086 1098 L CA 0.748 55.423 54.840 -0.274 0.000 0.778 1098 L CB -0.204 41.700 42.059 -0.258 0.000 0.928 1098 L HN 0.057 nan 8.230 nan 0.000 0.446 1099 K N 0.653 120.686 120.400 -0.612 0.000 2.209 1099 K HA -0.160 4.160 4.320 -0.000 0.000 0.204 1099 K C 1.994 178.405 176.600 -0.315 0.000 1.048 1099 K CA 1.270 57.185 56.287 -0.620 0.000 0.940 1099 K CB 0.062 32.122 32.500 -0.733 0.000 0.729 1099 K HN 0.297 nan 8.250 nan 0.000 0.451 1100 A N 1.198 123.875 122.820 -0.238 0.000 1.930 1100 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 1100 A C 2.033 179.541 177.584 -0.126 0.000 1.176 1100 A CA 0.514 52.465 52.037 -0.145 0.000 0.632 1100 A CB -0.393 18.542 19.000 -0.109 0.000 0.819 1100 A HN 0.329 nan 8.150 nan 0.000 0.445 1101 L N -0.557 120.583 121.223 -0.140 0.000 2.042 1101 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 1101 L C 2.910 179.712 176.870 -0.113 0.000 1.076 1101 L CA 1.474 56.249 54.840 -0.110 0.000 0.749 1101 L CB -0.381 41.614 42.059 -0.108 0.000 0.893 1101 L HN 0.444 nan 8.230 nan 0.000 0.432 1102 A N -0.377 122.352 122.820 -0.151 0.000 1.873 1102 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 1102 A C 2.295 179.816 177.584 -0.106 0.000 1.186 1102 A CA 1.451 53.403 52.037 -0.141 0.000 0.616 1102 A CB -1.292 17.598 19.000 -0.183 0.000 0.823 1102 A HN 0.499 nan 8.150 nan 0.000 0.442 1103 G N 0.292 109.031 108.800 -0.102 0.000 2.491 1103 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 1103 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 1103 G C 1.592 176.462 174.900 -0.051 0.000 1.180 1103 G CA 1.257 46.319 45.100 -0.062 0.000 0.774 1103 G HN 0.431 nan 8.290 nan 0.000 0.562 1104 K N 0.639 121.005 120.400 -0.056 0.000 2.032 1104 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 1104 K C 2.262 178.838 176.600 -0.040 0.000 1.048 1104 K CA 1.491 57.752 56.287 -0.044 0.000 0.927 1104 K CB -0.530 31.944 32.500 -0.043 0.000 0.712 1104 K HN 0.435 nan 8.250 nan 0.000 0.441 1105 E N 1.341 121.512 120.200 -0.049 0.000 2.058 1105 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 1105 E C 1.579 178.154 176.600 -0.042 0.000 0.997 1105 E CA 1.141 57.513 56.400 -0.046 0.000 0.801 1105 E CB -0.199 29.463 29.700 -0.064 0.000 0.746 1105 E HN 0.277 nan 8.360 nan 0.000 0.450 1106 L N 0.470 121.665 121.223 -0.047 0.000 2.627 1106 L HA 0.219 4.559 4.340 -0.000 0.000 0.232 1106 L C 0.320 177.174 176.870 -0.027 0.000 1.150 1106 L CA -0.301 54.516 54.840 -0.037 0.000 0.917 1106 L CB 0.055 42.092 42.059 -0.038 0.000 1.104 1106 L HN -0.086 nan 8.230 nan 0.000 0.445 1107 S N 0.234 115.917 115.700 -0.028 0.000 2.608 1107 S HA 0.318 4.788 4.470 -0.000 0.000 0.291 1107 S C 0.451 175.036 174.600 -0.024 0.000 1.146 1107 S CA -0.598 57.587 58.200 -0.025 0.000 1.043 1107 S CB 1.061 64.245 63.200 -0.026 0.000 1.037 1107 S HN 0.400 nan 8.310 nan 0.000 0.520 1108 N N 1.409 120.094 118.700 -0.025 0.000 2.740 1108 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 1108 N C -0.915 174.581 175.510 -0.024 0.000 1.062 1108 N CA 1.141 54.177 53.050 -0.024 0.000 0.704 1108 N CB -0.868 37.608 38.487 -0.020 0.000 0.968 1108 N HN 0.512 nan 8.380 nan 0.000 0.547 1109 K N -0.657 119.725 120.400 -0.030 0.000 2.533 1109 K HA 0.484 4.804 4.320 -0.000 0.000 0.272 1109 K C -2.781 173.788 176.600 -0.052 0.000 0.985 1109 K CA -1.353 54.916 56.287 -0.031 0.000 0.876 1109 K CB 2.810 35.297 32.500 -0.022 0.000 1.452 1109 K HN -0.179 nan 8.250 nan 0.000 0.439 1110 P HA 0.322 nan 4.420 nan 0.000 0.281 1110 P C -0.873 176.327 177.300 -0.166 0.000 1.252 1110 P CA -0.452 62.574 63.100 -0.124 0.000 0.778 1110 P CB 0.791 32.416 31.700 -0.125 0.000 0.895 1111 L N 4.013 125.109 121.223 -0.212 0.000 2.283 1111 L HA 0.521 4.861 4.340 -0.000 0.000 0.259 1111 L C -0.431 176.247 176.870 -0.320 0.000 1.027 1111 L CA -0.927 53.802 54.840 -0.184 0.000 0.828 1111 L CB 1.232 43.252 42.059 -0.064 0.000 1.380 1111 L HN 0.296 nan 8.230 nan 0.000 0.425 1112 Y N 0.042 120.341 120.300 -0.001 0.000 2.393 1112 Y HA 0.702 5.251 4.550 -0.000 0.000 0.341 1112 Y C -0.504 175.412 175.900 0.026 0.000 0.988 1112 Y CA -0.908 57.201 58.100 0.014 0.000 1.078 1112 Y CB 2.083 40.547 38.460 0.007 0.000 1.203 1112 Y HN 0.088 nan 8.280 nan 0.000 0.453 1113 V N 4.421 124.452 119.914 0.194 0.000 2.443 1113 V HA 0.462 4.582 4.120 -0.000 0.000 0.293 1113 V C -1.022 175.200 176.094 0.214 0.000 1.021 1113 V CA -0.852 61.539 62.300 0.151 0.000 0.848 1113 V CB 1.628 33.472 31.823 0.035 0.000 0.998 1113 V HN 0.528 nan 8.190 nan 0.000 0.424 1114 V N 3.456 123.459 119.914 0.149 0.000 2.378 1114 V HA 0.502 4.621 4.120 -0.000 0.000 0.288 1114 V C -0.687 175.382 176.094 -0.041 0.000 1.016 1114 V CA -0.770 61.566 62.300 0.060 0.000 0.840 1114 V CB 1.793 33.633 31.823 0.029 0.000 0.994 1114 V HN 0.742 nan 8.190 nan 0.000 0.431 1115 D N 5.662 125.881 120.400 -0.300 0.000 2.280 1115 D HA 0.696 5.336 4.640 -0.000 0.000 0.243 1115 D C -0.292 175.615 176.300 -0.655 0.000 1.129 1115 D CA 0.125 53.633 54.000 -0.820 0.000 0.848 1115 D CB 2.046 41.778 40.800 -1.779 0.000 1.107 1115 D HN 0.359 nan 8.370 nan 0.000 0.471 1116 L N 0.903 121.917 121.223 -0.349 0.000 2.277 1116 L HA 0.570 4.910 4.340 -0.000 0.000 0.254 1116 L C -0.840 176.043 176.870 0.021 0.000 1.044 1116 L CA -1.089 53.644 54.840 -0.178 0.000 0.842 1116 L CB 1.320 43.406 42.059 0.045 0.000 1.422 1116 L HN 0.098 nan 8.230 nan 0.000 0.422 1117 F N 0.071 120.224 119.950 0.338 0.000 2.508 1117 F HA 0.471 4.998 4.527 -0.000 0.000 0.325 1117 F C -0.125 175.925 175.800 0.415 0.000 1.090 1117 F CA -1.352 56.845 58.000 0.328 0.000 0.945 1117 F CB 1.701 40.855 39.000 0.257 0.000 1.156 1117 F HN 0.240 nan 8.300 nan 0.000 0.463 1118 C N 3.035 122.683 119.300 0.580 0.000 2.294 1118 C HA 0.852 5.312 4.460 -0.000 0.000 0.319 1118 C C -0.036 175.122 174.990 0.281 0.000 1.164 1118 C CA 0.028 59.348 59.018 0.503 0.000 1.497 1118 C CB -0.970 27.077 27.740 0.512 0.000 2.061 1118 C HN 1.191 nan 8.230 nan 0.000 0.438 1119 G N 4.331 113.320 108.800 0.316 0.000 3.239 1119 G HA2 0.394 4.354 3.960 -0.000 0.000 0.666 1119 G HA3 0.394 4.354 3.960 -0.000 0.000 0.666 1119 G C 0.199 175.251 174.900 0.255 0.000 1.313 1119 G CA -0.191 45.102 45.100 0.322 0.000 1.001 1119 G HN 1.633 nan 8.290 nan 0.000 0.573 1120 A N 1.721 124.733 122.820 0.319 0.000 2.168 1120 A HA 0.232 4.552 4.320 -0.000 0.000 0.215 1120 A C 1.012 178.594 177.584 -0.003 0.000 1.152 1120 A CA 1.136 53.276 52.037 0.173 0.000 0.716 1120 A CB -0.172 18.966 19.000 0.231 0.000 0.794 1120 A HN 0.688 nan 8.150 nan 0.000 0.465 1121 N N -0.571 118.040 118.700 -0.147 0.000 2.417 1121 N HA 0.255 4.995 4.740 -0.000 0.000 0.274 1121 N C 0.412 175.794 175.510 -0.213 0.000 0.987 1121 N CA -0.253 52.644 53.050 -0.256 0.000 0.912 1121 N CB 1.531 39.707 38.487 -0.518 0.000 1.177 1121 N HN 0.141 nan 8.380 nan 0.000 0.490 1122 E N 0.879 120.961 120.200 -0.197 0.000 2.118 1122 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 1122 E C 1.581 178.078 176.600 -0.171 0.000 0.992 1122 E CA 1.450 57.719 56.400 -0.218 0.000 0.804 1122 E CB -0.634 28.951 29.700 -0.191 0.000 0.741 1122 E HN 0.726 nan 8.360 nan 0.000 0.458 1123 N N 1.220 119.832 118.700 -0.147 0.000 2.205 1123 N HA -0.172 4.568 4.740 -0.000 0.000 0.186 1123 N C 1.769 177.219 175.510 -0.101 0.000 1.015 1123 N CA 2.110 55.093 53.050 -0.113 0.000 0.862 1123 N CB -0.624 37.803 38.487 -0.100 0.000 0.986 1123 N HN 0.581 nan 8.380 nan 0.000 0.429 1124 T N -3.652 110.831 114.554 -0.118 0.000 3.043 1124 T HA 0.208 4.558 4.350 -0.000 0.000 0.272 1124 T C 0.680 175.348 174.700 -0.053 0.000 0.990 1124 T CA -0.683 61.380 62.100 -0.062 0.000 0.897 1124 T CB 0.597 69.461 68.868 -0.006 0.000 1.111 1124 T HN 0.107 nan 8.240 nan 0.000 0.529 1125 R N 1.103 121.548 120.500 -0.092 0.000 2.756 1125 R HA 0.361 4.701 4.340 -0.000 0.000 0.264 1125 R C -0.764 175.525 176.300 -0.018 0.000 1.026 1125 R CA -0.172 55.890 56.100 -0.063 0.000 1.121 1125 R CB 0.171 30.362 30.300 -0.183 0.000 0.999 1125 R HN 0.415 nan 8.270 nan 0.000 0.449 1126 L N 4.537 125.808 121.223 0.080 0.000 2.388 1126 L HA 0.337 4.677 4.340 -0.000 0.000 0.267 1126 L C -0.689 176.336 176.870 0.258 0.000 0.995 1126 L CA -0.647 54.268 54.840 0.125 0.000 0.864 1126 L CB 1.079 43.216 42.059 0.131 0.000 1.216 1126 L HN 0.672 nan 8.230 nan 0.000 0.430 1127 K N 5.737 126.285 120.400 0.247 0.000 2.447 1127 K HA 0.322 4.642 4.320 -0.000 0.000 0.281 1127 K C -0.705 176.113 176.600 0.363 0.000 1.031 1127 K CA 0.305 56.830 56.287 0.395 0.000 1.019 1127 K CB 0.811 33.288 32.500 -0.039 0.000 0.918 1127 K HN 0.488 nan 8.250 nan 0.000 0.476 1128 I N 2.265 123.093 120.570 0.431 0.000 2.646 1128 I HA 0.397 4.567 4.170 -0.000 0.000 0.299 1128 I C -0.216 175.916 176.117 0.025 0.000 1.036 1128 I CA -1.046 60.320 61.300 0.110 0.000 1.074 1128 I CB 2.062 39.924 38.000 -0.229 0.000 1.258 1128 I HN 0.496 nan 8.210 nan 0.000 0.430 1129 R N 4.751 125.155 120.500 -0.160 0.000 2.451 1129 R HA 0.547 4.887 4.340 -0.000 0.000 0.307 1129 R C -1.907 174.181 176.300 -0.354 0.000 0.965 1129 R CA -0.386 55.622 56.100 -0.154 0.000 0.865 1129 R CB 0.986 31.302 30.300 0.027 0.000 1.174 1129 R HN 0.396 nan 8.270 nan 0.000 0.455 1130 F N 3.094 122.979 119.950 -0.108 0.000 2.397 1130 F HA 0.528 5.055 4.527 -0.000 0.000 0.331 1130 F C -0.087 175.674 175.800 -0.065 0.000 1.090 1130 F CA -0.683 57.255 58.000 -0.102 0.000 1.065 1130 F CB 2.080 41.012 39.000 -0.113 0.000 1.184 1130 F HN 0.069 nan 8.300 nan 0.000 0.499 1131 V N 5.092 125.067 119.914 0.102 0.000 2.569 1131 V HA 0.599 4.719 4.120 -0.000 0.000 0.301 1131 V C -0.389 175.727 176.094 0.037 0.000 1.044 1131 V CA -0.646 61.689 62.300 0.058 0.000 0.874 1131 V CB 1.687 33.513 31.823 0.005 0.000 1.002 1131 V HN 0.732 nan 8.190 nan 0.000 0.424 1132 M N 3.365 122.998 119.600 0.055 0.000 2.682 1132 M HA 0.585 5.065 4.480 -0.000 0.000 0.272 1132 M C -0.231 176.116 176.300 0.078 0.000 1.232 1132 M CA -0.565 54.738 55.300 0.005 0.000 0.849 1132 M CB 2.272 34.836 32.600 -0.059 0.000 1.695 1132 M HN 0.654 nan 8.290 nan 0.000 0.481 1133 E N 0.323 120.540 120.200 0.029 0.000 2.498 1133 E HA 0.383 4.733 4.350 -0.000 0.000 0.203 1133 E C -0.749 175.939 176.600 0.146 0.000 1.013 1133 E CA -0.110 56.341 56.400 0.085 0.000 0.927 1133 E CB 0.815 30.526 29.700 0.018 0.000 1.012 1133 E HN 0.420 nan 8.360 nan 0.000 0.482 1134 V N 1.969 121.898 119.914 0.024 0.000 2.370 1134 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 1134 V C 1.215 177.184 176.094 -0.209 0.000 1.023 1134 V CA 0.018 62.274 62.300 -0.074 0.000 0.857 1134 V CB 1.167 32.825 31.823 -0.275 0.000 0.985 1134 V HN 0.326 nan 8.190 nan 0.000 0.443 1135 A N 6.549 129.284 122.820 -0.142 0.000 1.873 1135 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 1135 A C 1.827 179.299 177.584 -0.186 0.000 1.193 1135 A CA 2.335 54.115 52.037 -0.428 0.000 0.629 1135 A CB -0.584 18.337 19.000 -0.132 0.000 0.826 1135 A HN 1.062 nan 8.150 nan 0.000 0.447 1136 W N -0.217 121.082 121.300 -0.001 0.000 2.525 1136 W HA -0.119 4.541 4.660 -0.000 0.000 0.259 1136 W C 1.433 177.998 176.519 0.076 0.000 1.253 1136 W CA 0.909 58.309 57.345 0.091 0.000 1.262 1136 W CB -0.713 28.819 29.460 0.119 0.000 1.122 1136 W HN 0.469 nan 8.180 nan 0.000 0.607 1137 Q N 1.163 120.729 119.800 -0.390 0.000 2.123 1137 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 1137 Q C 2.772 178.692 176.000 -0.132 0.000 0.966 1137 Q CA 1.880 57.440 55.803 -0.405 0.000 0.845 1137 Q CB -0.369 27.988 28.738 -0.636 0.000 0.907 1137 Q HN 0.333 nan 8.270 nan 0.000 0.439 1138 A N 0.346 123.061 122.820 -0.175 0.000 1.969 1138 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 1138 A C 1.753 179.327 177.584 -0.017 0.000 1.169 1138 A CA 1.455 53.406 52.037 -0.143 0.000 0.635 1138 A CB -0.770 18.052 19.000 -0.297 0.000 0.810 1138 A HN 0.494 nan 8.150 nan 0.000 0.445 1139 H N -2.377 116.664 119.070 -0.047 0.000 2.357 1139 H HA -0.160 4.396 4.556 -0.000 0.000 0.301 1139 H C 1.923 177.299 175.328 0.081 0.000 1.082 1139 H CA 1.508 57.586 56.048 0.050 0.000 1.342 1139 H CB -0.175 29.677 29.762 0.152 0.000 1.389 1139 H HN 0.495 nan 8.280 nan 0.000 0.511 1140 F N 1.611 121.568 119.950 0.011 0.000 2.095 1140 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 1140 F C 2.437 178.153 175.800 -0.141 0.000 1.104 1140 F CA 1.922 59.860 58.000 -0.104 0.000 1.232 1140 F CB -0.598 38.375 39.000 -0.045 0.000 0.987 1140 F HN 0.112 nan 8.300 nan 0.000 0.475 1141 V N -3.094 116.816 119.914 -0.006 0.000 2.548 1141 V HA -0.169 3.951 4.120 -0.000 0.000 0.249 1141 V C 2.029 178.074 176.094 -0.082 0.000 1.055 1141 V CA 2.114 64.318 62.300 -0.160 0.000 1.065 1141 V CB -1.645 29.660 31.823 -0.864 0.000 0.681 1141 V HN 0.385 nan 8.190 nan 0.000 0.462 1142 T N 1.380 115.892 114.554 -0.071 0.000 2.788 1142 T HA -0.116 4.234 4.350 -0.000 0.000 0.268 1142 T C 1.846 176.536 174.700 -0.017 0.000 1.044 1142 T CA 2.048 64.128 62.100 -0.033 0.000 1.139 1142 T CB -0.437 68.407 68.868 -0.040 0.000 0.867 1142 T HN 0.559 nan 8.240 nan 0.000 0.454 1143 N N 0.757 119.414 118.700 -0.071 0.000 2.173 1143 N HA 0.087 4.827 4.740 -0.000 0.000 0.184 1143 N C 1.729 177.061 175.510 -0.297 0.000 1.025 1143 N CA 0.841 53.791 53.050 -0.166 0.000 0.852 1143 N CB -0.248 38.074 38.487 -0.276 0.000 0.998 1143 N HN 0.227 nan 8.380 nan 0.000 0.427 1144 M N -0.273 119.060 119.600 -0.445 0.000 2.349 1144 M HA 0.111 4.591 4.480 -0.000 0.000 0.266 1144 M C 0.239 176.277 176.300 -0.437 0.000 1.076 1144 M CA 0.519 55.494 55.300 -0.542 0.000 1.126 1144 M CB -0.746 31.346 32.600 -0.847 0.000 1.392 1144 M HN -0.092 nan 8.290 nan 0.000 0.440 1145 F N -0.439 119.428 119.950 -0.138 0.000 2.411 1145 F HA 0.435 4.962 4.527 -0.000 0.000 0.324 1145 F C 0.764 176.592 175.800 0.047 0.000 1.086 1145 F CA -1.000 57.007 58.000 0.011 0.000 1.028 1145 F CB 0.682 39.737 39.000 0.091 0.000 1.284 1145 F HN -0.232 nan 8.300 nan 0.000 0.501 1146 I N 2.094 122.873 120.570 0.348 0.000 2.452 1146 I HA 0.163 4.333 4.170 -0.000 0.000 0.287 1146 I C -0.160 176.108 176.117 0.252 0.000 1.079 1146 I CA -0.203 61.276 61.300 0.298 0.000 1.387 1146 I CB 0.524 38.752 38.000 0.381 0.000 1.404 1146 I HN 0.376 nan 8.210 nan 0.000 0.522 1147 R N 7.197 127.805 120.500 0.181 0.000 2.216 1147 R HA 0.317 4.657 4.340 -0.000 0.000 0.332 1147 R C -2.297 174.054 176.300 0.085 0.000 1.056 1147 R CA -1.511 54.638 56.100 0.083 0.000 0.901 1147 R CB 0.065 30.419 30.300 0.089 0.000 1.039 1147 R HN 0.332 nan 8.270 nan 0.000 0.456 1148 P HA -0.025 nan 4.420 nan 0.000 0.270 1148 P C 0.041 177.383 177.300 0.069 0.000 1.223 1148 P CA -0.242 62.872 63.100 0.024 0.000 0.785 1148 P CB 0.704 32.251 31.700 -0.255 0.000 0.923 1149 T N -0.145 114.493 114.554 0.140 0.000 2.788 1149 T HA 0.330 4.680 4.350 -0.000 0.000 0.280 1149 T C 1.768 176.502 174.700 0.057 0.000 0.984 1149 T CA 0.375 62.530 62.100 0.091 0.000 0.972 1149 T CB 0.298 69.230 68.868 0.106 0.000 1.039 1149 T HN 0.429 nan 8.240 nan 0.000 0.530 1150 E N 0.518 120.739 120.200 0.036 0.000 2.160 1150 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 1150 E C 2.059 178.685 176.600 0.042 0.000 0.991 1150 E CA 2.201 58.613 56.400 0.020 0.000 0.810 1150 E CB -1.484 28.225 29.700 0.015 0.000 0.742 1150 E HN 0.892 nan 8.360 nan 0.000 0.466 1151 E N 0.695 120.933 120.200 0.064 0.000 2.122 1151 E HA -0.060 4.290 4.350 -0.000 0.000 0.190 1151 E C 1.873 178.541 176.600 0.113 0.000 0.977 1151 E CA 0.888 57.334 56.400 0.076 0.000 0.820 1151 E CB -0.430 29.311 29.700 0.069 0.000 0.770 1151 E HN 0.766 nan 8.360 nan 0.000 0.462 1152 E N -0.255 120.037 120.200 0.153 0.000 2.409 1152 E HA 0.042 4.392 4.350 -0.000 0.000 0.198 1152 E C 1.668 178.436 176.600 0.280 0.000 1.024 1152 E CA 0.461 57.007 56.400 0.244 0.000 0.861 1152 E CB -0.045 29.875 29.700 0.367 0.000 0.788 1152 E HN 0.452 nan 8.360 nan 0.000 0.521 1153 L N 0.986 122.315 121.223 0.176 0.000 2.607 1153 L HA 0.042 4.382 4.340 -0.000 0.000 0.228 1153 L C 2.058 179.031 176.870 0.172 0.000 1.123 1153 L CA -0.081 54.853 54.840 0.157 0.000 0.890 1153 L CB -0.131 41.906 42.059 -0.036 0.000 1.103 1153 L HN 0.095 nan 8.230 nan 0.000 0.468 1154 K N 0.897 121.388 120.400 0.151 0.000 1.971 1154 K HA -0.132 4.188 4.320 -0.000 0.000 0.221 1154 K C 1.259 177.948 176.600 0.148 0.000 1.050 1154 K CA 1.772 58.134 56.287 0.124 0.000 0.967 1154 K CB -0.657 31.902 32.500 0.098 0.000 0.733 1154 K HN 0.176 nan 8.250 nan 0.000 0.445 1155 G N 0.945 109.837 108.800 0.153 0.000 4.757 1155 G HA2 0.212 4.171 3.960 -0.000 0.000 0.303 1155 G HA3 0.212 4.171 3.960 -0.000 0.000 0.303 1155 G C -0.979 174.030 174.900 0.181 0.000 1.318 1155 G CA -0.752 44.434 45.100 0.143 0.000 1.020 1155 G HN 0.281 nan 8.290 nan 0.000 0.589 1156 F N 2.157 122.169 119.950 0.103 0.000 2.580 1156 F HA 0.152 4.679 4.527 -0.000 0.000 0.398 1156 F C 0.085 175.947 175.800 0.103 0.000 1.023 1156 F CA -0.245 57.825 58.000 0.117 0.000 1.188 1156 F CB 0.768 39.835 39.000 0.112 0.000 1.005 1156 F HN 0.237 nan 8.300 nan 0.000 0.546 1157 E N 7.474 127.519 120.200 -0.258 0.000 2.073 1157 E HA 0.321 4.671 4.350 -0.000 0.000 0.269 1157 E C -2.641 173.849 176.600 -0.184 0.000 0.917 1157 E CA -2.524 53.811 56.400 -0.108 0.000 0.757 1157 E CB 0.485 30.124 29.700 -0.102 0.000 1.111 1157 E HN 0.293 nan 8.360 nan 0.000 0.410 1158 P HA 0.010 nan 4.420 nan 0.000 0.263 1158 P C -0.093 177.261 177.300 0.089 0.000 1.247 1158 P CA 0.137 63.378 63.100 0.235 0.000 0.876 1158 P CB 0.546 32.421 31.700 0.291 0.000 0.928 1159 D N 1.572 122.010 120.400 0.064 0.000 2.144 1159 D HA -0.061 4.579 4.640 -0.000 0.000 0.199 1159 D C 0.120 176.460 176.300 0.067 0.000 0.984 1159 D CA 1.502 55.531 54.000 0.049 0.000 0.834 1159 D CB 0.079 40.927 40.800 0.081 0.000 0.955 1159 D HN 0.275 nan 8.370 nan 0.000 0.465 1160 F N -0.659 119.302 119.950 0.018 0.000 2.591 1160 F HA 0.327 4.854 4.527 -0.000 0.000 0.309 1160 F C -0.683 175.053 175.800 -0.107 0.000 1.098 1160 F CA -0.906 57.088 58.000 -0.010 0.000 0.937 1160 F CB 1.959 40.971 39.000 0.020 0.000 1.250 1160 F HN -0.457 nan 8.300 nan 0.000 0.447 1161 V N 4.414 124.345 119.914 0.028 0.000 2.555 1161 V HA 0.631 4.751 4.120 -0.000 0.000 0.302 1161 V C -0.998 175.005 176.094 -0.152 0.000 1.038 1161 V CA -0.855 61.328 62.300 -0.194 0.000 0.887 1161 V CB 1.892 33.421 31.823 -0.491 0.000 0.991 1161 V HN 0.475 nan 8.190 nan 0.000 0.434 1162 V N 6.021 125.746 119.914 -0.315 0.000 2.407 1162 V HA 0.470 4.590 4.120 -0.000 0.000 0.291 1162 V C -0.397 175.605 176.094 -0.153 0.000 1.018 1162 V CA -0.447 61.715 62.300 -0.230 0.000 0.842 1162 V CB 1.639 33.228 31.823 -0.390 0.000 0.996 1162 V HN 0.626 nan 8.190 nan 0.000 0.426 1163 L N 4.660 125.810 121.223 -0.122 0.000 2.280 1163 L HA 0.534 4.874 4.340 -0.000 0.000 0.287 1163 L C 0.066 176.870 176.870 -0.109 0.000 1.023 1163 L CA -0.309 54.462 54.840 -0.115 0.000 0.819 1163 L CB 1.299 43.273 42.059 -0.141 0.000 1.212 1163 L HN 0.543 nan 8.230 nan 0.000 0.420 1164 N N 3.213 121.852 118.700 -0.102 0.000 2.439 1164 N HA 0.395 5.135 4.740 -0.000 0.000 0.249 1164 N C -0.458 174.918 175.510 -0.222 0.000 1.003 1164 N CA -0.160 52.786 53.050 -0.174 0.000 0.942 1164 N CB 1.851 40.224 38.487 -0.191 0.000 1.115 1164 N HN 0.693 nan 8.380 nan 0.000 0.505 1165 A N 2.763 125.436 122.820 -0.245 0.000 3.113 1165 A HA 0.171 4.491 4.320 -0.000 0.000 0.307 1165 A C 1.275 178.669 177.584 -0.316 0.000 1.025 1165 A CA -0.409 51.486 52.037 -0.236 0.000 1.012 1165 A CB -0.547 18.351 19.000 -0.169 0.000 1.085 1165 A HN 0.651 nan 8.150 nan 0.000 0.519 1166 S N 0.242 115.623 115.700 -0.531 0.000 2.440 1166 S HA -0.206 4.264 4.470 -0.000 0.000 0.238 1166 S C 1.524 175.839 174.600 -0.474 0.000 1.010 1166 S CA 1.520 59.247 58.200 -0.789 0.000 0.972 1166 S CB -0.321 61.862 63.200 -1.696 0.000 0.774 1166 S HN 0.642 nan 8.310 nan 0.000 0.501 1167 K N 1.391 121.638 120.400 -0.254 0.000 2.228 1167 K HA 0.258 4.578 4.320 -0.000 0.000 0.202 1167 K C 0.951 177.565 176.600 0.025 0.000 1.051 1167 K CA 0.717 57.025 56.287 0.034 0.000 0.960 1167 K CB -0.196 32.339 32.500 0.057 0.000 0.743 1167 K HN 0.506 nan 8.250 nan 0.000 0.458 1168 A N 2.594 125.384 122.820 -0.050 0.000 2.327 1168 A HA 0.259 4.579 4.320 -0.000 0.000 0.283 1168 A C -0.315 177.255 177.584 -0.023 0.000 1.127 1168 A CA -0.455 51.564 52.037 -0.031 0.000 0.810 1168 A CB 0.317 19.281 19.000 -0.060 0.000 1.066 1168 A HN 0.200 nan 8.150 nan 0.000 0.492 1169 K N 0.367 120.774 120.400 0.012 0.000 2.385 1169 K HA 0.688 5.008 4.320 -0.000 0.000 0.248 1169 K C -1.531 175.092 176.600 0.039 0.000 0.955 1169 K CA -0.849 55.457 56.287 0.030 0.000 0.816 1169 K CB 1.958 34.502 32.500 0.072 0.000 1.250 1169 K HN 0.190 nan 8.250 nan 0.000 0.434 1170 V N 2.566 122.514 119.914 0.057 0.000 2.270 1170 V HA 0.109 4.229 4.120 -0.000 0.000 0.263 1170 V C 0.491 176.725 176.094 0.233 0.000 1.066 1170 V CA -0.474 61.887 62.300 0.103 0.000 0.857 1170 V CB 0.129 32.010 31.823 0.098 0.000 1.099 1170 V HN 0.904 nan 8.190 nan 0.000 0.476 1171 E N 1.570 121.879 120.200 0.182 0.000 2.427 1171 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 1171 E C 1.610 178.305 176.600 0.158 0.000 1.028 1171 E CA 0.763 57.299 56.400 0.227 0.000 0.864 1171 E CB 0.113 29.885 29.700 0.120 0.000 0.813 1171 E HN 0.611 nan 8.360 nan 0.000 0.514 1172 N N 0.477 119.233 118.700 0.093 0.000 2.268 1172 N HA -0.008 4.732 4.740 -0.000 0.000 0.204 1172 N C 1.240 176.712 175.510 -0.065 0.000 1.124 1172 N CA 0.103 53.137 53.050 -0.028 0.000 0.838 1172 N CB -0.523 37.952 38.487 -0.021 0.000 0.994 1172 N HN 0.342 nan 8.380 nan 0.000 0.489 1173 F N 0.324 120.257 119.950 -0.028 0.000 2.126 1173 F HA 0.054 4.581 4.527 -0.000 0.000 0.299 1173 F C 2.194 177.972 175.800 -0.038 0.000 1.096 1173 F CA 1.411 59.385 58.000 -0.043 0.000 1.255 1173 F CB -0.523 38.465 39.000 -0.020 0.000 0.997 1173 F HN 0.116 nan 8.300 nan 0.000 0.479 1174 K N 0.988 120.639 120.400 -1.248 0.000 1.991 1174 K HA -0.237 4.082 4.320 -0.000 0.000 0.212 1174 K C 2.031 178.438 176.600 -0.322 0.000 1.049 1174 K CA 2.068 57.876 56.287 -0.797 0.000 0.932 1174 K CB -0.406 31.579 32.500 -0.857 0.000 0.717 1174 K HN 0.689 nan 8.250 nan 0.000 0.441 1175 E N 0.232 120.268 120.200 -0.273 0.000 2.511 1175 E HA -0.112 4.238 4.350 -0.000 0.000 0.196 1175 E C 1.402 177.939 176.600 -0.106 0.000 1.066 1175 E CA 0.388 56.697 56.400 -0.151 0.000 0.871 1175 E CB 0.070 29.695 29.700 -0.126 0.000 0.863 1175 E HN 0.344 nan 8.360 nan 0.000 0.520 1176 L N -0.103 121.056 121.223 -0.108 0.000 2.638 1176 L HA 0.293 4.633 4.340 -0.000 0.000 0.232 1176 L C 0.935 177.759 176.870 -0.077 0.000 1.099 1176 L CA 0.335 55.130 54.840 -0.075 0.000 0.883 1176 L CB 0.663 42.684 42.059 -0.063 0.000 1.136 1176 L HN 0.378 nan 8.230 nan 0.000 0.492 1177 G N 1.308 110.068 108.800 -0.066 0.000 2.356 1177 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.233 1177 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.233 1177 G C -0.499 174.345 174.900 -0.094 0.000 1.105 1177 G CA -0.290 44.785 45.100 -0.041 0.000 0.861 1177 G HN 0.136 nan 8.290 nan 0.000 0.493 1178 L N -1.291 119.933 121.223 0.001 0.000 2.309 1178 L HA 0.487 4.827 4.340 -0.000 0.000 0.261 1178 L C 1.344 178.441 176.870 0.379 0.000 1.021 1178 L CA -1.180 53.667 54.840 0.011 0.000 0.823 1178 L CB 1.504 43.549 42.059 -0.023 0.000 1.366 1178 L HN 0.134 nan 8.230 nan 0.000 0.423 1179 N N -0.596 118.356 118.700 0.420 0.000 2.333 1179 N HA -0.032 4.708 4.740 -0.000 0.000 0.178 1179 N C 0.103 175.672 175.510 0.099 0.000 1.018 1179 N CA 0.602 53.842 53.050 0.317 0.000 0.882 1179 N CB 0.417 39.061 38.487 0.263 0.000 0.984 1179 N HN 0.666 nan 8.380 nan 0.000 0.434 1180 S N -1.003 114.555 115.700 -0.237 0.000 2.661 1180 S HA 0.203 4.673 4.470 -0.000 0.000 0.268 1180 S C -0.026 173.938 174.600 -1.061 0.000 1.162 1180 S CA -0.843 56.726 58.200 -1.051 0.000 0.817 1180 S CB 1.270 64.216 63.200 -0.422 0.000 1.141 1180 S HN -0.015 nan 8.310 nan 0.000 0.477 1181 E N 0.651 120.281 120.200 -0.950 0.000 2.204 1181 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 1181 E C 0.056 176.593 176.600 -0.106 0.000 0.990 1181 E CA 1.189 57.398 56.400 -0.318 0.000 0.821 1181 E CB -0.253 29.378 29.700 -0.115 0.000 0.750 1181 E HN 0.605 nan 8.360 nan 0.000 0.477 1182 T N 0.825 115.332 114.554 -0.077 0.000 2.907 1182 T HA 0.440 4.790 4.350 -0.000 0.000 0.298 1182 T C -0.292 174.431 174.700 0.040 0.000 1.017 1182 T CA -0.158 61.954 62.100 0.020 0.000 1.118 1182 T CB 1.351 70.290 68.868 0.118 0.000 0.948 1182 T HN 0.123 nan 8.240 nan 0.000 0.531 1183 A N 2.018 124.862 122.820 0.040 0.000 2.566 1183 A HA 0.653 4.973 4.320 -0.000 0.000 0.297 1183 A C -1.307 176.320 177.584 0.071 0.000 1.059 1183 A CA -0.674 51.419 52.037 0.093 0.000 0.691 1183 A CB 1.550 20.571 19.000 0.036 0.000 1.282 1183 A HN 0.625 nan 8.150 nan 0.000 0.401 1184 V N 2.783 122.790 119.914 0.156 0.000 2.439 1184 V HA 0.438 4.558 4.120 -0.000 0.000 0.277 1184 V C -0.550 175.613 176.094 0.114 0.000 1.008 1184 V CA -0.441 61.898 62.300 0.065 0.000 0.846 1184 V CB 1.058 32.954 31.823 0.123 0.000 1.031 1184 V HN 0.761 nan 8.190 nan 0.000 0.441 1185 V N 4.331 124.265 119.914 0.034 0.000 2.667 1185 V HA 0.654 4.774 4.120 -0.000 0.000 0.308 1185 V C -0.559 175.551 176.094 0.026 0.000 1.048 1185 V CA -0.656 61.777 62.300 0.222 0.000 0.928 1185 V CB 2.027 34.095 31.823 0.409 0.000 1.004 1185 V HN 0.588 nan 8.190 nan 0.000 0.444 1186 F N 1.894 121.991 119.950 0.246 0.000 2.561 1186 F HA 0.575 5.102 4.527 -0.000 0.000 0.321 1186 F C 0.282 175.938 175.800 -0.239 0.000 1.065 1186 F CA -0.632 57.422 58.000 0.090 0.000 0.934 1186 F CB 1.848 40.886 39.000 0.063 0.000 1.215 1186 F HN 0.427 nan 8.300 nan 0.000 0.471 1187 N N 2.667 121.207 118.700 -0.266 0.000 2.549 1187 N HA 0.185 4.925 4.740 -0.000 0.000 0.281 1187 N C -0.230 175.151 175.510 -0.215 0.000 1.084 1187 N CA -0.230 52.468 53.050 -0.588 0.000 0.862 1187 N CB 1.253 38.808 38.487 -1.553 0.000 1.333 1187 N HN 0.529 nan 8.380 nan 0.000 0.523 1188 L N 1.922 123.096 121.223 -0.082 0.000 2.551 1188 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 1188 L C 1.950 178.806 176.870 -0.023 0.000 1.153 1188 L CA 0.824 55.682 54.840 0.030 0.000 0.851 1188 L CB -1.342 40.714 42.059 -0.004 0.000 0.959 1188 L HN 0.555 nan 8.230 nan 0.000 0.451 1189 A N 0.133 122.888 122.820 -0.109 0.000 1.862 1189 A HA -0.077 4.243 4.320 -0.000 0.000 0.211 1189 A C 2.054 179.571 177.584 -0.111 0.000 1.220 1189 A CA 0.526 52.515 52.037 -0.080 0.000 0.616 1189 A CB -0.161 18.790 19.000 -0.083 0.000 0.878 1189 A HN 0.379 nan 8.150 nan 0.000 0.453 1190 E N -0.116 119.989 120.200 -0.159 0.000 2.435 1190 E HA 0.017 4.367 4.350 -0.000 0.000 0.195 1190 E C -0.617 175.845 176.600 -0.230 0.000 1.029 1190 E CA 0.153 56.490 56.400 -0.105 0.000 0.865 1190 E CB -0.085 29.632 29.700 0.028 0.000 0.833 1190 E HN 0.458 nan 8.360 nan 0.000 0.510 1191 K N 0.656 120.809 120.400 -0.413 0.000 3.939 1191 K HA -0.177 4.143 4.320 -0.000 0.000 0.281 1191 K C -0.674 175.397 176.600 -0.881 0.000 0.981 1191 K CA 0.415 56.045 56.287 -1.095 0.000 0.833 1191 K CB -1.242 30.566 32.500 -1.153 0.000 1.501 1191 K HN 0.224 nan 8.250 nan 0.000 0.445 1192 M N 0.910 120.412 119.600 -0.164 0.000 2.470 1192 M HA 0.240 4.720 4.480 -0.000 0.000 0.285 1192 M C -1.717 174.846 176.300 0.438 0.000 1.213 1192 M CA -0.638 54.794 55.300 0.219 0.000 0.901 1192 M CB 2.309 35.093 32.600 0.307 0.000 1.718 1192 M HN 0.278 nan 8.290 nan 0.000 0.469 1193 Q N 4.128 124.106 119.800 0.296 0.000 2.353 1193 Q HA 0.667 5.007 4.340 -0.000 0.000 0.268 1193 Q C -2.040 173.941 176.000 -0.032 0.000 1.045 1193 Q CA -0.646 55.161 55.803 0.007 0.000 0.811 1193 Q CB 1.966 30.619 28.738 -0.141 0.000 1.305 1193 Q HN 0.842 nan 8.270 nan 0.000 0.447 1194 I N 4.981 125.495 120.570 -0.093 0.000 2.418 1194 I HA 0.384 4.554 4.170 -0.000 0.000 0.287 1194 I C -0.613 175.410 176.117 -0.158 0.000 1.008 1194 I CA -0.710 60.511 61.300 -0.132 0.000 1.104 1194 I CB 1.792 39.672 38.000 -0.200 0.000 1.264 1194 I HN 0.580 nan 8.210 nan 0.000 0.438 1195 I N 7.376 127.853 120.570 -0.155 0.000 2.312 1195 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 1195 I C -0.684 175.323 176.117 -0.183 0.000 1.008 1195 I CA -0.386 60.821 61.300 -0.154 0.000 1.226 1195 I CB 1.110 39.014 38.000 -0.159 0.000 1.371 1195 I HN 0.329 nan 8.210 nan 0.000 0.468 1196 L N 6.391 127.523 121.223 -0.151 0.000 2.356 1196 L HA 0.408 4.748 4.340 -0.000 0.000 0.277 1196 L C 0.200 176.975 176.870 -0.158 0.000 0.996 1196 L CA -0.675 54.072 54.840 -0.155 0.000 0.822 1196 L CB 1.477 43.473 42.059 -0.105 0.000 1.256 1196 L HN 0.635 nan 8.230 nan 0.000 0.413 1197 N N 0.943 119.518 118.700 -0.209 0.000 2.738 1197 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 1197 N C -0.797 174.442 175.510 -0.451 0.000 1.047 1197 N CA 1.295 54.225 53.050 -0.200 0.000 0.707 1197 N CB -0.442 38.028 38.487 -0.028 0.000 0.937 1197 N HN 0.795 nan 8.380 nan 0.000 0.545 1198 T N -1.310 112.857 114.554 -0.646 0.000 3.395 1198 T HA 0.426 4.776 4.350 -0.000 0.000 0.330 1198 T C -0.194 174.149 174.700 -0.594 0.000 1.076 1198 T CA -0.435 61.160 62.100 -0.843 0.000 1.070 1198 T CB 0.007 68.708 68.868 -0.278 0.000 1.119 1198 T HN 0.272 nan 8.240 nan 0.000 0.462 1199 W N 2.950 123.972 121.300 -0.464 0.000 3.278 1199 W HA 0.339 4.999 4.660 -0.000 0.000 0.308 1199 W C 0.304 176.889 176.519 0.109 0.000 1.253 1199 W CA -0.683 56.614 57.345 -0.079 0.000 1.759 1199 W CB -0.041 29.415 29.460 -0.006 0.000 1.093 1199 W HN 0.688 nan 8.180 nan 0.000 0.648 1200 Y N 1.805 122.203 120.300 0.163 0.000 2.745 1200 Y HA 0.179 4.729 4.550 -0.000 0.000 0.335 1200 Y C 1.643 177.531 175.900 -0.020 0.000 1.212 1200 Y CA 0.414 58.598 58.100 0.140 0.000 1.535 1200 Y CB 0.683 39.240 38.460 0.161 0.000 1.220 1200 Y HN 0.056 nan 8.280 nan 0.000 0.531 1201 G N 4.311 112.789 108.800 -0.537 0.000 2.469 1201 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.219 1201 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.219 1201 G C 1.720 175.816 174.900 -1.340 0.000 1.150 1201 G CA 0.759 45.181 45.100 -1.130 0.000 0.763 1201 G HN 0.968 nan 8.290 nan 0.000 0.561 1202 G N 0.856 108.943 108.800 -1.188 0.000 2.503 1202 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.221 1202 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.221 1202 G C 1.585 176.440 174.900 -0.075 0.000 1.131 1202 G CA 1.228 46.022 45.100 -0.509 0.000 0.756 1202 G HN 0.428 nan 8.290 nan 0.000 0.572 1203 E N 0.208 120.423 120.200 0.025 0.000 2.209 1203 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 1203 E C 2.443 179.117 176.600 0.124 0.000 0.993 1203 E CA 0.778 57.263 56.400 0.142 0.000 0.819 1203 E CB -0.310 29.458 29.700 0.113 0.000 0.745 1203 E HN 0.538 nan 8.360 nan 0.000 0.477 1204 M N 0.163 119.759 119.600 -0.007 0.000 2.562 1204 M HA -0.077 4.403 4.480 -0.000 0.000 0.257 1204 M C 1.904 178.491 176.300 0.479 0.000 1.099 1204 M CA 1.066 56.478 55.300 0.188 0.000 1.099 1204 M CB 0.065 32.666 32.600 0.002 0.000 1.427 1204 M HN 0.031 nan 8.290 nan 0.000 0.489 1205 K N -1.280 119.326 120.400 0.344 0.000 2.387 1205 K HA 0.166 4.486 4.320 -0.000 0.000 0.197 1205 K C 1.602 178.360 176.600 0.263 0.000 1.127 1205 K CA 0.013 56.484 56.287 0.306 0.000 0.950 1205 K CB 0.062 32.551 32.500 -0.018 0.000 1.017 1205 K HN -0.179 nan 8.250 nan 0.000 0.519 1206 K N 1.487 122.027 120.400 0.233 0.000 2.288 1206 K HA 0.086 4.406 4.320 -0.000 0.000 0.201 1206 K C 1.887 178.703 176.600 0.361 0.000 1.048 1206 K CA 1.183 57.634 56.287 0.273 0.000 0.956 1206 K CB -0.515 32.159 32.500 0.291 0.000 0.746 1206 K HN 0.413 nan 8.250 nan 0.000 0.461 1207 G N 0.260 109.313 108.800 0.423 0.000 2.414 1207 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.215 1207 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.215 1207 G C 1.341 176.414 174.900 0.288 0.000 1.188 1207 G CA 0.573 45.989 45.100 0.527 0.000 0.783 1207 G HN 0.112 nan 8.290 nan 0.000 0.537 1208 M N -0.029 119.772 119.600 0.335 0.000 2.229 1208 M HA 0.119 4.599 4.480 -0.000 0.000 0.264 1208 M C 2.255 178.697 176.300 0.236 0.000 1.063 1208 M CA 0.387 55.811 55.300 0.206 0.000 1.114 1208 M CB -1.189 31.644 32.600 0.387 0.000 1.387 1208 M HN 0.273 nan 8.290 nan 0.000 0.420 1209 F N 1.485 121.522 119.950 0.145 0.000 2.126 1209 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 1209 F C 2.345 178.206 175.800 0.102 0.000 1.096 1209 F CA 1.502 59.585 58.000 0.138 0.000 1.255 1209 F CB -0.663 38.351 39.000 0.023 0.000 0.997 1209 F HN 0.091 nan 8.300 nan 0.000 0.479 1210 S N 0.125 115.764 115.700 -0.101 0.000 2.419 1210 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 1210 S C 1.992 176.443 174.600 -0.248 0.000 1.016 1210 S CA 1.310 59.351 58.200 -0.265 0.000 0.974 1210 S CB -0.219 62.789 63.200 -0.321 0.000 0.786 1210 S HN 0.311 nan 8.310 nan 0.000 0.492 1211 M N 0.432 119.909 119.600 -0.205 0.000 2.236 1211 M HA 0.159 4.639 4.480 -0.000 0.000 0.266 1211 M C 1.831 178.135 176.300 0.006 0.000 1.070 1211 M CA 1.064 56.256 55.300 -0.181 0.000 1.137 1211 M CB -1.026 31.412 32.600 -0.269 0.000 1.378 1211 M HN 0.295 nan 8.290 nan 0.000 0.426 1212 M N 0.408 120.038 119.600 0.051 0.000 2.296 1212 M HA -0.112 4.368 4.480 -0.000 0.000 0.265 1212 M C 1.209 177.584 176.300 0.125 0.000 1.064 1212 M CA 1.088 56.429 55.300 0.068 0.000 1.109 1212 M CB -1.470 31.031 32.600 -0.165 0.000 1.396 1212 M HN 0.255 nan 8.290 nan 0.000 0.430 1213 N N -0.420 118.323 118.700 0.071 0.000 2.515 1213 N HA -0.065 4.675 4.740 -0.000 0.000 0.185 1213 N C 1.301 176.923 175.510 0.187 0.000 1.109 1213 N CA 0.650 53.806 53.050 0.177 0.000 0.903 1213 N CB -0.140 38.363 38.487 0.025 0.000 0.969 1213 N HN 0.296 nan 8.380 nan 0.000 0.450 1214 F N -0.225 119.641 119.950 -0.139 0.000 2.343 1214 F HA 0.151 4.678 4.527 -0.000 0.000 0.286 1214 F C 1.730 177.388 175.800 -0.237 0.000 1.057 1214 F CA 0.440 58.275 58.000 -0.276 0.000 1.365 1214 F CB -0.315 38.377 39.000 -0.513 0.000 1.114 1214 F HN -0.140 nan 8.300 nan 0.000 0.545 1215 Y N 0.406 120.695 120.300 -0.019 0.000 2.184 1215 Y HA -0.130 4.420 4.550 -0.000 0.000 0.290 1215 Y C 2.387 178.231 175.900 -0.093 0.000 1.129 1215 Y CA 1.344 59.372 58.100 -0.119 0.000 1.144 1215 Y CB -0.529 37.949 38.460 0.030 0.000 0.995 1215 Y HN -0.025 nan 8.280 nan 0.000 0.513 1216 L N -0.173 121.146 121.223 0.159 0.000 2.017 1216 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 1216 L C -0.584 176.329 176.870 0.072 0.000 1.073 1216 L CA 1.311 56.243 54.840 0.154 0.000 0.745 1216 L CB -1.983 40.231 42.059 0.257 0.000 0.894 1216 L HN 0.172 nan 8.230 nan 0.000 0.432 1217 P HA -0.158 nan 4.420 nan 0.000 0.218 1217 P C 1.765 178.978 177.300 -0.144 0.000 1.148 1217 P CA 1.258 64.290 63.100 -0.112 0.000 0.822 1217 P CB 0.043 31.555 31.700 -0.314 0.000 0.784 1218 L N -1.064 120.050 121.223 -0.181 0.000 2.622 1218 L HA -0.065 4.275 4.340 -0.000 0.000 0.233 1218 L C 1.486 178.303 176.870 -0.089 0.000 1.156 1218 L CA 1.070 55.801 54.840 -0.182 0.000 0.866 1218 L CB -0.601 41.287 42.059 -0.285 0.000 0.980 1218 L HN 0.076 nan 8.230 nan 0.000 0.448 1219 Q N -0.697 119.079 119.800 -0.040 0.000 2.135 1219 Q HA 0.225 4.565 4.340 -0.000 0.000 0.222 1219 Q C 1.082 177.090 176.000 0.013 0.000 0.808 1219 Q CA 0.349 56.151 55.803 -0.002 0.000 1.049 1219 Q CB 1.308 30.066 28.738 0.033 0.000 1.168 1219 Q HN 0.398 nan 8.270 nan 0.000 0.483 1220 G N 1.676 110.470 108.800 -0.009 0.000 2.160 1220 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.251 1220 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.251 1220 G C 0.013 174.936 174.900 0.038 0.000 1.008 1220 G CA 0.102 45.199 45.100 -0.006 0.000 0.724 1220 G HN 0.364 nan 8.290 nan 0.000 0.514 1221 I N 0.844 121.466 120.570 0.087 0.000 2.378 1221 I HA 0.594 4.764 4.170 -0.000 0.000 0.291 1221 I C 0.762 177.003 176.117 0.207 0.000 0.992 1221 I CA -0.815 60.599 61.300 0.190 0.000 1.154 1221 I CB 1.899 40.073 38.000 0.290 0.000 1.315 1221 I HN 0.236 nan 8.210 nan 0.000 0.448 1222 A N 5.266 128.232 122.820 0.244 0.000 2.454 1222 A HA 0.668 4.988 4.320 -0.000 0.000 0.260 1222 A C 0.153 177.979 177.584 0.404 0.000 1.106 1222 A CA -0.261 51.957 52.037 0.302 0.000 0.780 1222 A CB 0.286 19.473 19.000 0.313 0.000 1.044 1222 A HN 0.812 nan 8.150 nan 0.000 0.498 1223 A N 3.970 127.082 122.820 0.486 0.000 2.258 1223 A HA 0.690 5.010 4.320 -0.000 0.000 0.316 1223 A C -0.121 177.807 177.584 0.573 0.000 1.279 1223 A CA -0.412 51.972 52.037 0.579 0.000 0.876 1223 A CB 0.081 19.428 19.000 0.579 0.000 1.170 1223 A HN 0.846 nan 8.150 nan 0.000 0.520 1224 M N 2.186 122.066 119.600 0.468 0.000 2.530 1224 M HA 0.331 4.811 4.480 -0.000 0.000 0.307 1224 M C -0.229 176.404 176.300 0.555 0.000 1.161 1224 M CA -0.328 55.314 55.300 0.570 0.000 0.903 1224 M CB 2.198 35.051 32.600 0.422 0.000 1.711 1224 M HN 0.804 nan 8.290 nan 0.000 0.451 1225 H N 2.975 122.394 119.070 0.581 0.000 2.914 1225 H HA 0.495 5.051 4.556 -0.000 0.000 0.264 1225 H C -1.319 174.121 175.328 0.187 0.000 1.433 1225 H CA -0.638 55.675 56.048 0.441 0.000 1.342 1225 H CB 0.337 30.462 29.762 0.606 0.000 1.582 1225 H HN 0.907 nan 8.280 nan 0.000 0.525 1226 C N 2.130 121.394 119.300 -0.059 0.000 3.321 1226 C HA 0.661 5.120 4.460 -0.000 0.000 0.329 1226 C C -0.194 174.657 174.990 -0.232 0.000 1.394 1226 C CA -0.813 58.025 59.018 -0.299 0.000 1.291 1226 C CB 1.373 28.664 27.740 -0.750 0.000 1.606 1226 C HN 0.711 nan 8.230 nan 0.000 0.463 1227 S N 1.023 116.578 115.700 -0.241 0.000 2.722 1227 S HA 0.954 5.424 4.470 -0.000 0.000 0.292 1227 S C -0.380 174.003 174.600 -0.362 0.000 1.135 1227 S CA 0.089 58.144 58.200 -0.241 0.000 1.003 1227 S CB 1.574 64.661 63.200 -0.189 0.000 1.067 1227 S HN 2.572 nan 8.310 nan 0.000 0.546 1228 A N 1.212 123.797 122.820 -0.391 0.000 2.566 1228 A HA 0.754 5.074 4.320 -0.000 0.000 0.297 1228 A C -0.851 176.662 177.584 -0.119 0.000 1.059 1228 A CA -0.987 50.862 52.037 -0.313 0.000 0.691 1228 A CB 0.828 19.420 19.000 -0.681 0.000 1.282 1228 A HN 1.158 nan 8.150 nan 0.000 0.401 1229 N N -0.438 118.243 118.700 -0.032 0.000 2.934 1229 N HA 0.805 5.545 4.740 -0.000 0.000 0.253 1229 N C -0.642 174.852 175.510 -0.026 0.000 1.466 1229 N CA -0.250 52.792 53.050 -0.014 0.000 0.858 1229 N CB 2.087 40.579 38.487 0.008 0.000 1.459 1229 N HN 0.794 nan 8.380 nan 0.000 0.532 1230 T N -2.983 111.559 114.554 -0.020 0.000 2.804 1230 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 1230 T C -0.849 173.841 174.700 -0.016 0.000 1.099 1230 T CA -0.690 61.394 62.100 -0.027 0.000 1.011 1230 T CB 1.075 69.927 68.868 -0.026 0.000 1.291 1230 T HN 0.656 nan 8.240 nan 0.000 0.523 1231 D N 0.241 120.630 120.400 -0.018 0.000 2.380 1231 D HA 0.168 4.808 4.640 -0.000 0.000 0.254 1231 D C 1.401 177.695 176.300 -0.011 0.000 1.288 1231 D CA -0.815 53.176 54.000 -0.015 0.000 1.008 1231 D CB 0.100 40.891 40.800 -0.016 0.000 1.099 1231 D HN 0.483 nan 8.370 nan 0.000 0.537 1232 L N -1.286 119.931 121.223 -0.010 0.000 2.549 1232 L HA -0.041 4.299 4.340 -0.000 0.000 0.229 1232 L C 1.576 178.443 176.870 -0.004 0.000 1.158 1232 L CA 1.018 55.854 54.840 -0.007 0.000 0.842 1232 L CB -0.514 41.540 42.059 -0.009 0.000 0.952 1232 L HN 0.391 nan 8.230 nan 0.000 0.452 1233 E N -0.140 120.058 120.200 -0.005 0.000 2.415 1233 E HA 0.101 4.451 4.350 -0.000 0.000 0.197 1233 E C 1.450 178.051 176.600 0.000 0.000 1.007 1233 E CA 0.681 57.080 56.400 -0.002 0.000 0.890 1233 E CB 0.513 30.212 29.700 -0.003 0.000 0.891 1233 E HN 0.349 nan 8.360 nan 0.000 0.496 1234 G N 0.211 109.010 108.800 -0.002 0.000 2.176 1234 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.232 1234 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.232 1234 G C 0.351 175.247 174.900 -0.007 0.000 0.986 1234 G CA 0.440 45.540 45.100 -0.000 0.000 0.643 1234 G HN 0.166 nan 8.290 nan 0.000 0.522 1235 K N -0.460 119.933 120.400 -0.011 0.000 2.450 1235 K HA 0.669 4.989 4.320 -0.000 0.000 0.248 1235 K C 0.724 177.307 176.600 -0.028 0.000 1.056 1235 K CA -0.406 55.871 56.287 -0.016 0.000 0.974 1235 K CB 0.158 32.653 32.500 -0.008 0.000 1.334 1235 K HN 0.169 nan 8.250 nan 0.000 0.516 1236 N N -0.082 118.600 118.700 -0.030 0.000 2.688 1236 N HA -0.168 4.572 4.740 -0.000 0.000 0.258 1236 N C -1.366 174.103 175.510 -0.068 0.000 1.016 1236 N CA 0.783 53.808 53.050 -0.041 0.000 0.747 1236 N CB -1.377 37.091 38.487 -0.033 0.000 0.895 1236 N HN 0.420 nan 8.380 nan 0.000 0.543 1237 T N 0.437 114.934 114.554 -0.095 0.000 2.940 1237 T HA 0.428 4.778 4.350 -0.000 0.000 0.309 1237 T C 0.718 175.302 174.700 -0.193 0.000 1.056 1237 T CA 0.485 62.497 62.100 -0.147 0.000 1.137 1237 T CB 0.907 69.651 68.868 -0.207 0.000 0.976 1237 T HN 0.469 nan 8.240 nan 0.000 0.547 1238 A N 3.119 125.812 122.820 -0.212 0.000 2.449 1238 A HA 0.786 5.106 4.320 -0.000 0.000 0.302 1238 A C -0.468 176.877 177.584 -0.399 0.000 1.048 1238 A CA -0.995 50.850 52.037 -0.321 0.000 0.708 1238 A CB 1.033 19.845 19.000 -0.313 0.000 1.274 1238 A HN 0.924 nan 8.150 nan 0.000 0.410 1239 I N -1.697 118.546 120.570 -0.544 0.000 2.569 1239 I HA 0.842 5.012 4.170 -0.000 0.000 0.296 1239 I C -1.656 174.091 176.117 -0.616 0.000 1.028 1239 I CA -0.913 60.094 61.300 -0.488 0.000 1.082 1239 I CB 1.970 39.688 38.000 -0.469 0.000 1.264 1239 I HN 0.449 nan 8.210 nan 0.000 0.429 1240 F N 4.826 124.582 119.950 -0.323 0.000 2.434 1240 F HA 0.517 5.044 4.527 -0.000 0.000 0.355 1240 F C -0.442 175.229 175.800 -0.216 0.000 1.115 1240 F CA -0.531 57.349 58.000 -0.201 0.000 1.010 1240 F CB 1.211 40.102 39.000 -0.180 0.000 1.234 1240 F HN 0.308 nan 8.300 nan 0.000 0.439 1241 F N 1.570 121.610 119.950 0.149 0.000 2.382 1241 F HA 0.705 5.232 4.527 0.000 0.000 0.331 1241 F C 0.773 176.519 175.800 -0.090 0.000 1.121 1241 F CA -0.356 57.737 58.000 0.156 0.000 1.183 1241 F CB 1.488 40.772 39.000 0.473 0.000 1.207 1241 F HN 0.529 nan 8.300 nan 0.000 0.555 1242 G N 2.475 111.338 108.800 0.105 0.000 2.443 1242 G HA2 0.381 4.341 3.960 -0.000 0.000 0.303 1242 G HA3 0.381 4.341 3.960 -0.000 0.000 0.303 1242 G C -1.991 172.965 174.900 0.094 0.000 1.613 1242 G CA -0.990 44.096 45.100 -0.024 0.000 0.879 1242 G HN 0.587 nan 8.290 nan 0.000 0.632 1243 L N 1.152 122.545 121.223 0.283 0.000 2.468 1243 L HA 0.605 4.945 4.340 -0.000 0.000 0.253 1243 L C 1.224 178.273 176.870 0.300 0.000 1.237 1243 L CA 0.170 55.236 54.840 0.376 0.000 0.823 1243 L CB 0.574 42.815 42.059 0.304 0.000 1.124 1243 L HN 0.637 nan 8.230 nan 0.000 0.504 1244 S N 1.186 117.144 115.700 0.429 0.000 2.563 1244 S HA 0.333 4.803 4.470 -0.000 0.000 0.294 1244 S C 0.975 175.680 174.600 0.174 0.000 1.279 1244 S CA 0.344 58.749 58.200 0.342 0.000 1.069 1244 S CB -0.237 63.174 63.200 0.351 0.000 0.828 1244 S HN 1.239 nan 8.310 nan 0.000 0.497 1245 G N 2.368 111.236 108.800 0.113 0.000 2.168 1245 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 1245 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 1245 G C 0.634 175.546 174.900 0.021 0.000 0.997 1245 G CA 0.695 45.826 45.100 0.052 0.000 0.708 1245 G HN 1.047 nan 8.290 nan 0.000 0.520 1246 T N -3.423 111.141 114.554 0.018 0.000 3.069 1246 T HA 0.507 4.857 4.350 -0.000 0.000 0.252 1246 T C 1.834 176.500 174.700 -0.057 0.000 1.053 1246 T CA 1.339 63.431 62.100 -0.012 0.000 0.964 1246 T CB 0.792 69.672 68.868 0.020 0.000 1.005 1246 T HN 1.986 nan 8.240 nan 0.000 0.532 1247 G N 1.123 109.878 108.800 -0.075 0.000 2.370 1247 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.174 1247 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.174 1247 G C 0.832 175.635 174.900 -0.161 0.000 1.002 1247 G CA 0.070 45.102 45.100 -0.114 0.000 0.730 1247 G HN 0.410 nan 8.290 nan 0.000 0.497 1248 K N 0.190 120.503 120.400 -0.146 0.000 2.009 1248 K HA -0.064 4.256 4.320 -0.000 0.000 0.210 1248 K C 2.531 178.979 176.600 -0.253 0.000 1.049 1248 K CA 1.986 58.154 56.287 -0.197 0.000 0.929 1248 K CB -0.341 32.060 32.500 -0.164 0.000 0.714 1248 K HN 0.277 nan 8.250 nan 0.000 0.440 1249 T N 0.746 115.193 114.554 -0.179 0.000 2.737 1249 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 1249 T C 1.961 176.549 174.700 -0.186 0.000 1.038 1249 T CA 1.798 63.800 62.100 -0.165 0.000 1.144 1249 T CB -0.371 68.428 68.868 -0.115 0.000 0.866 1249 T HN 0.297 nan 8.240 nan 0.000 0.434 1250 T N 2.723 117.172 114.554 -0.175 0.000 2.652 1250 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 1250 T C 1.955 176.516 174.700 -0.231 0.000 1.039 1250 T CA 1.091 63.088 62.100 -0.171 0.000 1.153 1250 T CB -0.512 68.267 68.868 -0.147 0.000 0.863 1250 T HN 0.266 nan 8.240 nan 0.000 0.428 1251 L N 1.562 122.595 121.223 -0.317 0.000 2.217 1251 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 1251 L C 2.779 179.258 176.870 -0.652 0.000 1.107 1251 L CA 1.082 55.662 54.840 -0.433 0.000 0.783 1251 L CB -0.664 41.126 42.059 -0.448 0.000 0.919 1251 L HN 0.373 nan 8.230 nan 0.000 0.442 1252 S N -2.280 113.002 115.700 -0.696 0.000 2.489 1252 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 1252 S C 1.093 175.511 174.600 -0.303 0.000 0.995 1252 S CA 0.115 57.937 58.200 -0.630 0.000 0.934 1252 S CB -0.513 62.400 63.200 -0.477 0.000 0.771 1252 S HN 0.234 nan 8.310 nan 0.000 0.522 1253 T N 3.580 117.989 114.554 -0.242 0.000 2.776 1253 T HA 0.348 4.698 4.350 -0.000 0.000 0.292 1253 T C -0.951 173.670 174.700 -0.133 0.000 0.921 1253 T CA -0.115 61.897 62.100 -0.145 0.000 1.038 1253 T CB 0.222 69.022 68.868 -0.115 0.000 0.910 1253 T HN 0.312 nan 8.240 nan 0.000 0.536 1254 D N 4.111 124.449 120.400 -0.104 0.000 2.855 1254 D HA 0.264 4.904 4.640 -0.000 0.000 0.241 1254 D C -1.748 174.517 176.300 -0.058 0.000 1.277 1254 D CA -2.216 51.734 54.000 -0.084 0.000 0.918 1254 D CB 2.500 43.251 40.800 -0.082 0.000 1.462 1254 D HN 0.098 nan 8.370 nan 0.000 0.559 1255 P HA -0.117 nan 4.420 nan 0.000 0.221 1255 P C 0.397 177.677 177.300 -0.035 0.000 1.145 1255 P CA 0.828 63.903 63.100 -0.042 0.000 0.795 1255 P CB 0.454 32.128 31.700 -0.044 0.000 0.775 1256 K N -0.819 119.560 120.400 -0.036 0.000 2.444 1256 K HA 0.142 4.462 4.320 -0.000 0.000 0.193 1256 K C 1.030 177.616 176.600 -0.024 0.000 1.024 1256 K CA 0.171 56.441 56.287 -0.029 0.000 1.077 1256 K CB 0.238 32.720 32.500 -0.031 0.000 0.833 1256 K HN 0.159 nan 8.250 nan 0.000 0.517 1257 R N 0.219 120.703 120.500 -0.025 0.000 2.836 1257 R HA 0.462 4.802 4.340 -0.000 0.000 0.269 1257 R C -1.082 175.208 176.300 -0.017 0.000 1.010 1257 R CA -0.874 55.215 56.100 -0.019 0.000 0.930 1257 R CB 1.540 31.831 30.300 -0.015 0.000 1.218 1257 R HN -0.076 nan 8.270 nan 0.000 0.473 1258 L N 2.300 123.517 121.223 -0.010 0.000 2.282 1258 L HA 0.377 4.717 4.340 -0.000 0.000 0.288 1258 L C -0.358 176.512 176.870 -0.001 0.000 1.033 1258 L CA -0.876 53.963 54.840 -0.001 0.000 0.807 1258 L CB 1.370 43.432 42.059 0.005 0.000 1.209 1258 L HN 0.293 nan 8.230 nan 0.000 0.423 1259 L N 4.479 125.704 121.223 0.004 0.000 2.360 1259 L HA 0.220 4.560 4.340 -0.000 0.000 0.276 1259 L C 0.637 177.525 176.870 0.031 0.000 1.121 1259 L CA 0.621 55.465 54.840 0.006 0.000 0.845 1259 L CB 1.261 43.324 42.059 0.006 0.000 1.143 1259 L HN 0.726 nan 8.230 nan 0.000 0.452 1260 I N 3.878 124.470 120.570 0.037 0.000 2.556 1260 I HA 0.185 4.355 4.170 -0.000 0.000 0.251 1260 I C 1.060 177.271 176.117 0.157 0.000 1.105 1260 I CA 0.649 62.000 61.300 0.085 0.000 1.436 1260 I CB 0.282 38.319 38.000 0.063 0.000 1.139 1260 I HN 0.729 nan 8.210 nan 0.000 0.438 1261 G N 0.222 109.169 108.800 0.245 0.000 2.466 1261 G HA2 0.201 4.160 3.960 -0.000 0.000 0.291 1261 G HA3 0.201 4.160 3.960 -0.000 0.000 0.291 1261 G C -1.193 173.832 174.900 0.209 0.000 1.460 1261 G CA 0.045 45.286 45.100 0.235 0.000 0.791 1261 G HN 0.132 nan 8.290 nan 0.000 0.505 1262 D N -1.645 118.803 120.400 0.079 0.000 2.469 1262 D HA 0.180 4.820 4.640 -0.000 0.000 0.213 1262 D C 0.561 176.847 176.300 -0.023 0.000 1.135 1262 D CA 0.522 54.520 54.000 -0.003 0.000 0.834 1262 D CB 1.354 42.107 40.800 -0.077 0.000 1.009 1262 D HN 0.387 nan 8.370 nan 0.000 0.507 1263 D N -0.322 120.066 120.400 -0.020 0.000 2.097 1263 D HA 0.076 4.716 4.640 -0.000 0.000 0.325 1263 D C -0.623 175.534 176.300 -0.238 0.000 1.087 1263 D CA 0.245 54.174 54.000 -0.118 0.000 0.917 1263 D CB 0.806 41.500 40.800 -0.177 0.000 1.784 1263 D HN 0.055 nan 8.370 nan 0.000 0.532 1264 E N -0.105 119.812 120.200 -0.472 0.000 2.244 1264 E HA 0.469 4.818 4.350 -0.000 0.000 0.260 1264 E C -1.286 174.624 176.600 -1.151 0.000 0.884 1264 E CA -0.581 55.365 56.400 -0.758 0.000 0.777 1264 E CB 1.800 30.949 29.700 -0.918 0.000 1.197 1264 E HN 0.213 nan 8.360 nan 0.000 0.416 1265 H N 0.308 118.811 119.070 -0.947 0.000 2.946 1265 H HA 0.706 5.262 4.556 -0.000 0.000 0.365 1265 H C -0.092 174.630 175.328 -1.011 0.000 1.197 1265 H CA -0.844 54.596 56.048 -1.012 0.000 1.131 1265 H CB 2.108 31.547 29.762 -0.538 0.000 1.849 1265 H HN 0.563 nan 8.280 nan 0.000 0.555 1266 G N -0.425 107.818 108.800 -0.929 0.000 2.537 1266 G HA2 0.404 4.364 3.960 -0.000 0.000 0.308 1266 G HA3 0.404 4.364 3.960 -0.000 0.000 0.308 1266 G C -1.759 172.948 174.900 -0.321 0.000 1.237 1266 G CA -0.580 44.160 45.100 -0.600 0.000 0.968 1266 G HN 0.476 nan 8.290 nan 0.000 0.481 1267 W N 2.696 123.981 121.300 -0.026 0.000 2.604 1267 W HA 0.371 5.031 4.660 -0.000 0.000 0.302 1267 W C -1.059 175.609 176.519 0.248 0.000 1.013 1267 W CA -1.707 55.715 57.345 0.128 0.000 1.338 1267 W CB 0.970 30.485 29.460 0.091 0.000 1.233 1267 W HN 0.778 nan 8.180 nan 0.000 0.390 1268 D N 1.188 122.021 120.400 0.722 0.000 2.560 1268 D HA 0.248 4.888 4.640 -0.000 0.000 0.277 1268 D C 0.813 177.328 176.300 0.359 0.000 1.194 1268 D CA -0.112 54.163 54.000 0.458 0.000 1.092 1268 D CB 0.596 41.636 40.800 0.400 0.000 1.169 1268 D HN 0.029 nan 8.370 nan 0.000 0.607 1269 D N -0.780 119.750 120.400 0.218 0.000 2.178 1269 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 1269 D C 1.181 177.593 176.300 0.188 0.000 0.980 1269 D CA 1.002 55.099 54.000 0.162 0.000 0.842 1269 D CB -0.137 40.721 40.800 0.097 0.000 0.948 1269 D HN 0.364 nan 8.370 nan 0.000 0.472 1270 D N -0.178 120.337 120.400 0.192 0.000 2.137 1270 D HA 0.131 4.771 4.640 -0.000 0.000 0.202 1270 D C 1.455 177.876 176.300 0.201 0.000 0.970 1270 D CA 1.245 55.342 54.000 0.160 0.000 0.837 1270 D CB 0.522 41.386 40.800 0.106 0.000 0.981 1270 D HN 0.298 nan 8.370 nan 0.000 0.475 1271 G N -0.683 108.292 108.800 0.292 0.000 2.344 1271 G HA2 0.214 4.174 3.960 -0.000 0.000 0.282 1271 G HA3 0.214 4.174 3.960 -0.000 0.000 0.282 1271 G C -1.654 173.357 174.900 0.186 0.000 1.281 1271 G CA -0.604 44.619 45.100 0.204 0.000 0.877 1271 G HN -0.015 nan 8.290 nan 0.000 0.494 1272 V N 1.207 121.064 119.914 -0.096 0.000 2.465 1272 V HA 0.679 4.799 4.120 -0.000 0.000 0.279 1272 V C -0.227 175.947 176.094 0.133 0.000 1.045 1272 V CA -0.060 62.150 62.300 -0.151 0.000 0.938 1272 V CB 0.108 31.663 31.823 -0.446 0.000 0.986 1272 V HN 0.914 nan 8.190 nan 0.000 0.467 1273 F N 1.965 121.973 119.950 0.097 0.000 2.588 1273 F HA 0.563 5.090 4.527 -0.000 0.000 0.310 1273 F C -0.458 175.393 175.800 0.086 0.000 1.082 1273 F CA -1.201 56.875 58.000 0.127 0.000 0.929 1273 F CB 1.476 40.571 39.000 0.158 0.000 1.254 1273 F HN 0.424 nan 8.300 nan 0.000 0.455 1274 N N 1.958 120.731 118.700 0.121 0.000 2.530 1274 N HA 0.295 5.035 4.740 -0.000 0.000 0.277 1274 N C 0.071 175.660 175.510 0.132 0.000 1.168 1274 N CA -0.694 52.184 53.050 -0.287 0.000 0.979 1274 N CB 0.812 39.181 38.487 -0.196 0.000 1.141 1274 N HN 0.773 nan 8.380 nan 0.000 0.459 1275 F N 0.489 120.329 119.950 -0.183 0.000 2.530 1275 F HA 0.094 4.621 4.527 -0.000 0.000 0.292 1275 F C 0.833 176.611 175.800 -0.037 0.000 1.109 1275 F CA -0.141 57.867 58.000 0.013 0.000 1.450 1275 F CB 0.353 39.365 39.000 0.021 0.000 1.114 1275 F HN 0.447 nan 8.300 nan 0.000 0.560 1276 E N -0.309 119.883 120.200 -0.014 0.000 2.302 1276 E HA 0.385 4.735 4.350 -0.000 0.000 0.255 1276 E C 0.330 176.891 176.600 -0.065 0.000 1.099 1276 E CA -0.415 55.902 56.400 -0.139 0.000 0.929 1276 E CB 1.009 30.515 29.700 -0.323 0.000 1.203 1276 E HN 0.066 nan 8.360 nan 0.000 0.459 1277 G N -0.380 108.362 108.800 -0.097 0.000 3.863 1277 G HA2 0.487 4.447 3.960 -0.000 0.000 0.290 1277 G HA3 0.487 4.447 3.960 -0.000 0.000 0.290 1277 G C 0.014 174.834 174.900 -0.132 0.000 1.018 1277 G CA 0.311 45.392 45.100 -0.032 0.000 0.824 1277 G HN 0.580 nan 8.290 nan 0.000 0.507 1278 G N -1.252 107.411 108.800 -0.228 0.000 2.548 1278 G HA2 0.440 4.400 3.960 -0.000 0.000 0.301 1278 G HA3 0.440 4.400 3.960 -0.000 0.000 0.301 1278 G C -1.672 173.000 174.900 -0.380 0.000 1.349 1278 G CA -0.417 44.491 45.100 -0.319 0.000 0.792 1278 G HN 0.342 nan 8.290 nan 0.000 0.481 1279 C N -0.688 118.265 119.300 -0.579 0.000 2.498 1279 C HA 0.606 5.066 4.460 -0.000 0.000 0.316 1279 C C -0.960 173.661 174.990 -0.616 0.000 1.209 1279 C CA -0.635 58.043 59.018 -0.567 0.000 1.518 1279 C CB 0.898 28.320 27.740 -0.530 0.000 2.147 1279 C HN 0.625 nan 8.230 nan 0.000 0.483 1280 Y N 2.672 122.688 120.300 -0.473 0.000 2.902 1280 Y HA 0.590 5.140 4.550 -0.000 0.000 0.353 1280 Y C 0.352 176.129 175.900 -0.205 0.000 1.116 1280 Y CA -0.771 57.130 58.100 -0.332 0.000 1.222 1280 Y CB -0.247 38.092 38.460 -0.202 0.000 1.302 1280 Y HN 0.844 nan 8.280 nan 0.000 0.590 1281 A N 3.788 126.448 122.820 -0.268 0.000 2.302 1281 A HA 0.475 4.795 4.320 -0.000 0.000 0.285 1281 A C -0.095 177.359 177.584 -0.216 0.000 1.105 1281 A CA -0.761 51.157 52.037 -0.198 0.000 0.816 1281 A CB 0.500 19.447 19.000 -0.088 0.000 1.067 1281 A HN 0.652 nan 8.150 nan 0.000 0.489 1282 K N 0.067 120.370 120.400 -0.162 0.000 2.237 1282 K HA 0.342 4.661 4.320 -0.000 0.000 0.270 1282 K C 0.614 177.162 176.600 -0.087 0.000 1.015 1282 K CA 0.163 56.375 56.287 -0.125 0.000 0.949 1282 K CB 1.071 33.522 32.500 -0.082 0.000 0.976 1282 K HN 0.619 nan 8.250 nan 0.000 0.472 1283 V N 0.117 120.000 119.914 -0.050 0.000 3.330 1283 V HA 0.233 4.353 4.120 -0.000 0.000 0.309 1283 V C 0.302 176.409 176.094 0.021 0.000 1.481 1283 V CA -0.531 61.733 62.300 -0.061 0.000 1.068 1283 V CB -0.104 31.695 31.823 -0.040 0.000 0.935 1283 V HN 0.570 nan 8.190 nan 0.000 0.453 1284 I N 3.289 123.884 120.570 0.041 0.000 2.752 1284 I HA 0.252 4.422 4.170 -0.000 0.000 0.289 1284 I C 1.137 177.288 176.117 0.056 0.000 1.197 1284 I CA 0.998 62.342 61.300 0.073 0.000 1.432 1284 I CB -0.436 37.590 38.000 0.044 0.000 1.359 1284 I HN 0.546 nan 8.210 nan 0.000 0.571 1285 N N 3.459 122.220 118.700 0.102 0.000 2.741 1285 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 1285 N C -0.339 175.207 175.510 0.059 0.000 1.112 1285 N CA 0.665 53.765 53.050 0.082 0.000 0.750 1285 N CB -1.381 37.127 38.487 0.036 0.000 1.119 1285 N HN 0.499 nan 8.380 nan 0.000 0.561 1286 L N 1.228 122.475 121.223 0.039 0.000 2.416 1286 L HA 0.305 4.645 4.340 -0.000 0.000 0.272 1286 L C 0.674 177.607 176.870 0.104 0.000 1.161 1286 L CA 0.308 55.113 54.840 -0.058 0.000 0.845 1286 L CB 0.939 42.758 42.059 -0.400 0.000 1.119 1286 L HN 0.281 nan 8.230 nan 0.000 0.464 1287 S N 2.991 118.732 115.700 0.069 0.000 2.564 1287 S HA 0.377 4.847 4.470 -0.000 0.000 0.274 1287 S C 0.422 174.853 174.600 -0.283 0.000 1.124 1287 S CA -0.631 57.531 58.200 -0.063 0.000 0.869 1287 S CB 1.492 64.627 63.200 -0.110 0.000 1.105 1287 S HN 0.729 nan 8.310 nan 0.000 0.472 1288 K N 0.550 120.372 120.400 -0.963 0.000 2.147 1288 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 1288 K C 1.298 177.637 176.600 -0.435 0.000 1.049 1288 K CA 1.530 57.237 56.287 -0.967 0.000 0.936 1288 K CB -0.088 31.517 32.500 -1.492 0.000 0.722 1288 K HN 0.665 nan 8.250 nan 0.000 0.446 1289 E N 0.573 120.563 120.200 -0.351 0.000 2.107 1289 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 1289 E C 1.606 178.115 176.600 -0.152 0.000 0.982 1289 E CA 0.825 57.096 56.400 -0.215 0.000 0.809 1289 E CB -0.163 29.429 29.700 -0.180 0.000 0.756 1289 E HN 0.404 nan 8.360 nan 0.000 0.459 1290 N N 0.869 119.487 118.700 -0.137 0.000 2.290 1290 N HA -0.060 4.680 4.740 -0.000 0.000 0.179 1290 N C 0.053 175.512 175.510 -0.085 0.000 1.016 1290 N CA 0.668 53.659 53.050 -0.098 0.000 0.871 1290 N CB 0.245 38.683 38.487 -0.082 0.000 0.987 1290 N HN 0.056 nan 8.380 nan 0.000 0.431 1291 E N -0.631 119.525 120.200 -0.073 0.000 3.374 1291 E HA 0.266 4.616 4.350 -0.000 0.000 0.223 1291 E C -1.960 174.635 176.600 -0.008 0.000 1.210 1291 E CA -1.598 54.776 56.400 -0.043 0.000 0.987 1291 E CB 1.749 31.430 29.700 -0.033 0.000 1.322 1291 E HN 0.057 nan 8.360 nan 0.000 0.404 1292 P HA -0.217 nan 4.420 nan 0.000 0.214 1292 P C 1.138 178.445 177.300 0.012 0.000 1.163 1292 P CA 1.397 64.481 63.100 -0.028 0.000 0.889 1292 P CB 0.264 31.928 31.700 -0.060 0.000 0.790 1293 D N 0.028 120.415 120.400 -0.021 0.000 2.106 1293 D HA -0.193 4.447 4.640 -0.000 0.000 0.191 1293 D C 1.990 178.246 176.300 -0.072 0.000 0.997 1293 D CA 1.482 55.457 54.000 -0.041 0.000 0.834 1293 D CB -1.179 39.596 40.800 -0.041 0.000 0.956 1293 D HN 0.195 nan 8.370 nan 0.000 0.448 1294 I N -0.412 120.128 120.570 -0.050 0.000 2.142 1294 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 1294 I C 2.702 178.758 176.117 -0.102 0.000 1.078 1294 I CA 1.093 62.341 61.300 -0.087 0.000 1.343 1294 I CB -0.462 37.524 38.000 -0.023 0.000 1.046 1294 I HN 0.170 nan 8.210 nan 0.000 0.405 1295 W N 2.131 123.314 121.300 -0.195 0.000 2.338 1295 W HA -0.173 4.487 4.660 -0.000 0.000 0.304 1295 W C 2.181 178.616 176.519 -0.140 0.000 1.212 1295 W CA 2.002 59.240 57.345 -0.178 0.000 1.264 1295 W CB -0.588 28.780 29.460 -0.153 0.000 1.142 1295 W HN 0.176 nan 8.180 nan 0.000 0.512 1296 G N -0.100 108.775 108.800 0.127 0.000 2.534 1296 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.217 1296 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.217 1296 G C 1.593 176.418 174.900 -0.124 0.000 1.128 1296 G CA 0.920 46.039 45.100 0.032 0.000 0.784 1296 G HN 0.325 nan 8.290 nan 0.000 0.542 1297 A N 0.154 122.826 122.820 -0.247 0.000 2.072 1297 A HA 0.375 4.695 4.320 -0.000 0.000 0.216 1297 A C 1.151 178.587 177.584 -0.248 0.000 1.156 1297 A CA -0.117 51.676 52.037 -0.406 0.000 0.701 1297 A CB -0.030 18.304 19.000 -1.111 0.000 0.816 1297 A HN 0.300 nan 8.150 nan 0.000 0.458 1298 I N 1.986 122.416 120.570 -0.234 0.000 2.372 1298 I HA 0.137 4.307 4.170 -0.000 0.000 0.298 1298 I C 0.360 176.412 176.117 -0.108 0.000 1.137 1298 I CA 0.123 61.337 61.300 -0.144 0.000 1.314 1298 I CB -0.198 37.663 38.000 -0.233 0.000 1.444 1298 I HN 0.429 nan 8.210 nan 0.000 0.541 1299 K N 4.211 124.602 120.400 -0.014 0.000 2.373 1299 K HA 0.544 4.864 4.320 -0.000 0.000 0.274 1299 K C -0.525 176.103 176.600 0.047 0.000 1.024 1299 K CA -1.312 54.962 56.287 -0.021 0.000 0.867 1299 K CB 0.719 33.165 32.500 -0.090 0.000 1.524 1299 K HN 0.056 nan 8.250 nan 0.000 0.406 1300 R N 0.946 121.447 120.500 0.003 0.000 2.537 1300 R HA -0.012 4.328 4.340 -0.000 0.000 0.281 1300 R C -0.454 175.877 176.300 0.051 0.000 0.988 1300 R CA 1.607 57.708 56.100 0.001 0.000 1.077 1300 R CB -0.815 29.407 30.300 -0.131 0.000 0.932 1300 R HN 0.869 nan 8.270 nan 0.000 0.409 1301 N N 0.137 118.893 118.700 0.094 0.000 2.949 1301 N HA -0.156 4.584 4.740 -0.000 0.000 0.192 1301 N C -1.051 174.565 175.510 0.177 0.000 0.979 1301 N CA 1.441 54.477 53.050 -0.022 0.000 1.027 1301 N CB -1.601 36.614 38.487 -0.454 0.000 0.992 1301 N HN 0.675 nan 8.380 nan 0.000 0.567 1302 A N 0.354 123.279 122.820 0.175 0.000 2.302 1302 A HA 0.694 5.014 4.320 -0.000 0.000 0.285 1302 A C -0.103 177.525 177.584 0.074 0.000 1.105 1302 A CA -0.220 51.869 52.037 0.086 0.000 0.816 1302 A CB 0.749 19.830 19.000 0.136 0.000 1.067 1302 A HN 0.235 nan 8.150 nan 0.000 0.489 1303 L N 2.343 123.529 121.223 -0.061 0.000 2.342 1303 L HA 0.519 4.859 4.340 -0.000 0.000 0.276 1303 L C -0.858 175.995 176.870 -0.029 0.000 0.997 1303 L CA -0.164 54.621 54.840 -0.090 0.000 0.838 1303 L CB 0.730 42.615 42.059 -0.291 0.000 1.224 1303 L HN 0.636 nan 8.230 nan 0.000 0.416 1304 L N 3.957 125.168 121.223 -0.020 0.000 2.417 1304 L HA 0.432 4.772 4.340 -0.000 0.000 0.268 1304 L C 0.232 177.056 176.870 -0.076 0.000 1.158 1304 L CA -0.032 54.800 54.840 -0.014 0.000 0.819 1304 L CB 0.929 42.979 42.059 -0.015 0.000 1.112 1304 L HN 0.630 nan 8.230 nan 0.000 0.458 1305 E N 2.635 122.809 120.200 -0.043 0.000 2.255 1305 E HA 0.221 4.571 4.350 -0.000 0.000 0.256 1305 E C -0.528 176.048 176.600 -0.039 0.000 0.887 1305 E CA -0.320 56.034 56.400 -0.076 0.000 0.782 1305 E CB 0.700 30.402 29.700 0.003 0.000 1.214 1305 E HN 0.703 nan 8.360 nan 0.000 0.417 1306 N N 1.092 119.749 118.700 -0.073 0.000 2.850 1306 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 1306 N C -0.559 174.929 175.510 -0.037 0.000 1.060 1306 N CA 0.528 53.553 53.050 -0.042 0.000 0.825 1306 N CB -0.598 37.892 38.487 0.005 0.000 1.132 1306 N HN 0.145 nan 8.380 nan 0.000 0.564 1307 V N 0.956 120.837 119.914 -0.056 0.000 2.775 1307 V HA 0.156 4.276 4.120 -0.000 0.000 0.299 1307 V C 1.069 177.092 176.094 -0.118 0.000 1.062 1307 V CA 0.084 62.337 62.300 -0.079 0.000 1.063 1307 V CB 1.558 33.312 31.823 -0.115 0.000 0.994 1307 V HN 0.090 nan 8.190 nan 0.000 0.483 1308 T N 4.318 118.793 114.554 -0.133 0.000 2.779 1308 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 1308 T C -0.280 174.321 174.700 -0.165 0.000 0.938 1308 T CA -0.106 61.922 62.100 -0.121 0.000 1.119 1308 T CB 0.569 69.383 68.868 -0.089 0.000 0.891 1308 T HN 0.427 nan 8.240 nan 0.000 0.526 1309 V N 4.233 124.072 119.914 -0.126 0.000 2.638 1309 V HA 0.395 4.515 4.120 -0.000 0.000 0.306 1309 V C -0.167 175.879 176.094 -0.080 0.000 1.052 1309 V CA -1.267 60.959 62.300 -0.124 0.000 0.885 1309 V CB 2.104 33.855 31.823 -0.120 0.000 0.999 1309 V HN 0.961 nan 8.190 nan 0.000 0.424 1310 D N 3.806 124.165 120.400 -0.069 0.000 2.511 1310 D HA 0.553 5.193 4.640 -0.000 0.000 0.276 1310 D C 1.338 177.616 176.300 -0.037 0.000 1.220 1310 D CA 0.081 54.053 54.000 -0.046 0.000 1.077 1310 D CB 0.944 41.722 40.800 -0.036 0.000 1.126 1310 D HN 0.506 nan 8.370 nan 0.000 0.583 1311 A N -0.111 122.694 122.820 -0.026 0.000 1.873 1311 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 1311 A C 1.754 179.328 177.584 -0.016 0.000 1.193 1311 A CA 1.871 53.896 52.037 -0.019 0.000 0.629 1311 A CB -1.399 17.592 19.000 -0.014 0.000 0.826 1311 A HN 0.714 nan 8.150 nan 0.000 0.447 1312 N N -0.926 117.765 118.700 -0.014 0.000 2.571 1312 N HA 0.202 4.942 4.740 -0.000 0.000 0.189 1312 N C 0.982 176.485 175.510 -0.012 0.000 1.154 1312 N CA 0.401 53.446 53.050 -0.008 0.000 0.907 1312 N CB -0.019 38.465 38.487 -0.005 0.000 0.977 1312 N HN 0.713 nan 8.380 nan 0.000 0.449 1313 G N 1.563 110.348 108.800 -0.025 0.000 2.157 1313 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 1313 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 1313 G C 0.100 174.967 174.900 -0.055 0.000 0.979 1313 G CA -0.162 44.917 45.100 -0.036 0.000 0.650 1313 G HN 0.370 nan 8.290 nan 0.000 0.529 1314 K N 0.588 120.959 120.400 -0.049 0.000 2.401 1314 K HA 0.467 4.787 4.320 -0.000 0.000 0.278 1314 K C 0.399 176.929 176.600 -0.117 0.000 1.018 1314 K CA -0.309 55.944 56.287 -0.058 0.000 0.981 1314 K CB 0.605 33.088 32.500 -0.028 0.000 0.933 1314 K HN 0.031 nan 8.250 nan 0.000 0.477 1315 V N 3.354 123.159 119.914 -0.182 0.000 2.532 1315 V HA 0.122 4.242 4.120 -0.000 0.000 0.295 1315 V C -0.406 175.498 176.094 -0.316 0.000 1.041 1315 V CA -0.486 61.597 62.300 -0.360 0.000 0.926 1315 V CB 1.628 33.032 31.823 -0.699 0.000 0.992 1315 V HN 0.827 nan 8.190 nan 0.000 0.457 1316 D N 2.411 122.621 120.400 -0.316 0.000 2.432 1316 D HA 0.335 4.975 4.640 -0.000 0.000 0.265 1316 D C 0.394 176.612 176.300 -0.136 0.000 1.160 1316 D CA -0.428 53.483 54.000 -0.147 0.000 0.911 1316 D CB 0.551 41.310 40.800 -0.068 0.000 1.052 1316 D HN 0.290 nan 8.370 nan 0.000 0.508 1317 F N 1.693 121.663 119.950 0.035 0.000 2.365 1317 F HA 0.043 4.570 4.527 -0.000 0.000 0.300 1317 F C 2.398 178.216 175.800 0.031 0.000 1.090 1317 F CA 0.802 58.819 58.000 0.029 0.000 1.408 1317 F CB -0.185 38.854 39.000 0.066 0.000 1.060 1317 F HN 0.484 nan 8.300 nan 0.000 0.534 1318 A N -1.110 121.830 122.820 0.199 0.000 2.169 1318 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 1318 A C 0.522 178.150 177.584 0.074 0.000 1.153 1318 A CA 0.201 52.312 52.037 0.124 0.000 0.756 1318 A CB -0.609 18.451 19.000 0.100 0.000 0.813 1318 A HN 0.190 nan 8.150 nan 0.000 0.471 1319 D N 0.662 121.094 120.400 0.054 0.000 2.343 1319 D HA 0.223 4.863 4.640 -0.000 0.000 0.255 1319 D C 0.865 177.181 176.300 0.027 0.000 1.187 1319 D CA 0.229 54.244 54.000 0.026 0.000 0.875 1319 D CB 0.628 41.428 40.800 -0.001 0.000 1.136 1319 D HN 0.447 nan 8.370 nan 0.000 0.469 1320 K N 0.901 121.315 120.400 0.024 0.000 2.447 1320 K HA 0.094 4.414 4.320 -0.000 0.000 0.205 1320 K C 1.208 177.815 176.600 0.011 0.000 1.059 1320 K CA -0.254 56.045 56.287 0.021 0.000 1.065 1320 K CB 0.275 32.791 32.500 0.027 0.000 0.885 1320 K HN 0.225 nan 8.250 nan 0.000 0.545 1321 S N 0.368 116.072 115.700 0.007 0.000 2.420 1321 S HA -0.143 4.327 4.470 -0.000 0.000 0.237 1321 S C 1.801 176.399 174.600 -0.003 0.000 1.023 1321 S CA 1.202 59.403 58.200 0.002 0.000 0.991 1321 S CB -0.544 62.656 63.200 -0.000 0.000 0.792 1321 S HN 0.156 nan 8.310 nan 0.000 0.488 1322 V N 0.005 119.916 119.914 -0.004 0.000 2.492 1322 V HA 0.268 4.388 4.120 -0.000 0.000 0.241 1322 V C 1.180 177.269 176.094 -0.009 0.000 1.041 1322 V CA 1.320 63.615 62.300 -0.009 0.000 1.057 1322 V CB -0.035 31.781 31.823 -0.011 0.000 0.711 1322 V HN 0.702 nan 8.190 nan 0.000 0.468 1323 T N -1.792 112.761 114.554 -0.000 0.000 3.033 1323 T HA 0.141 4.491 4.350 -0.000 0.000 0.362 1323 T C -0.047 174.662 174.700 0.014 0.000 1.723 1323 T CA -0.362 61.739 62.100 0.002 0.000 1.110 1323 T CB 1.802 70.671 68.868 0.001 0.000 1.515 1323 T HN 0.295 nan 8.240 nan 0.000 0.484 1324 E N 2.075 122.284 120.200 0.015 0.000 2.371 1324 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 1324 E C 1.009 177.623 176.600 0.024 0.000 1.012 1324 E CA 0.149 56.563 56.400 0.024 0.000 0.860 1324 E CB 0.099 29.815 29.700 0.026 0.000 0.811 1324 E HN 0.574 nan 8.360 nan 0.000 0.502 1325 N N 1.582 120.296 118.700 0.023 0.000 2.623 1325 N HA -0.013 4.727 4.740 -0.000 0.000 0.263 1325 N C -0.564 174.972 175.510 0.044 0.000 1.218 1325 N CA -0.166 52.904 53.050 0.033 0.000 0.949 1325 N CB 0.127 38.636 38.487 0.036 0.000 1.270 1325 N HN 0.071 nan 8.380 nan 0.000 0.507 1326 T N -1.118 113.455 114.554 0.032 0.000 2.932 1326 T HA 0.233 4.583 4.350 -0.000 0.000 0.312 1326 T C 0.272 174.963 174.700 -0.015 0.000 1.071 1326 T CA -0.279 61.840 62.100 0.033 0.000 1.128 1326 T CB 1.436 70.343 68.868 0.064 0.000 0.984 1326 T HN 0.115 nan 8.240 nan 0.000 0.549 1327 R N 0.619 121.098 120.500 -0.036 0.000 2.869 1327 R HA 0.829 5.169 4.340 -0.000 0.000 0.263 1327 R C -1.504 174.767 176.300 -0.049 0.000 1.066 1327 R CA -0.960 55.048 56.100 -0.152 0.000 0.960 1327 R CB 2.102 32.160 30.300 -0.403 0.000 1.221 1327 R HN 0.575 nan 8.270 nan 0.000 0.474 1328 V N 0.809 120.679 119.914 -0.073 0.000 2.817 1328 V HA 0.450 4.570 4.120 -0.000 0.000 0.303 1328 V C -1.183 174.894 176.094 -0.028 0.000 1.151 1328 V CA -0.386 61.929 62.300 0.024 0.000 0.929 1328 V CB 2.240 34.121 31.823 0.096 0.000 1.030 1328 V HN 0.953 nan 8.190 nan 0.000 0.427 1329 S N 6.214 121.889 115.700 -0.041 0.000 2.503 1329 S HA 0.968 5.438 4.470 -0.000 0.000 0.301 1329 S C -1.100 173.316 174.600 -0.307 0.000 1.087 1329 S CA -0.521 57.506 58.200 -0.287 0.000 1.042 1329 S CB 1.822 64.782 63.200 -0.399 0.000 1.043 1329 S HN 1.504 nan 8.310 nan 0.000 0.489 1330 Y N -2.234 117.871 120.300 -0.325 0.000 2.592 1330 Y HA 0.749 5.299 4.550 -0.000 0.000 0.334 1330 Y C -3.592 171.972 175.900 -0.561 0.000 1.136 1330 Y CA -2.902 54.899 58.100 -0.499 0.000 1.042 1330 Y CB -0.012 38.142 38.460 -0.511 0.000 1.325 1330 Y HN 0.403 nan 8.280 nan 0.000 0.457 1331 P HA 0.135 nan 4.420 nan 0.000 0.269 1331 P C 0.924 177.932 177.300 -0.487 0.000 1.209 1331 P CA -0.065 62.643 63.100 -0.652 0.000 0.776 1331 P CB 1.013 31.978 31.700 -1.224 0.000 0.876 1332 I N 3.446 123.835 120.570 -0.302 0.000 2.315 1332 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 1332 I C 1.452 177.576 176.117 0.011 0.000 1.125 1332 I CA 1.628 62.886 61.300 -0.069 0.000 1.392 1332 I CB -0.571 37.427 38.000 -0.003 0.000 1.065 1332 I HN 0.318 nan 8.210 nan 0.000 0.424 1333 F N -1.369 118.675 119.950 0.157 0.000 2.722 1333 F HA 0.008 4.535 4.527 0.000 0.000 0.298 1333 F C 1.948 177.858 175.800 0.184 0.000 1.175 1333 F CA 0.726 58.816 58.000 0.149 0.000 1.462 1333 F CB -2.133 36.944 39.000 0.130 0.000 1.111 1333 F HN 0.208 nan 8.300 nan 0.000 0.592 1334 H N 0.270 119.303 119.070 -0.061 0.000 2.548 1334 H HA 0.185 4.741 4.556 -0.000 0.000 0.268 1334 H C 0.241 175.505 175.328 -0.106 0.000 0.975 1334 H CA -0.076 55.921 56.048 -0.084 0.000 1.195 1334 H CB 0.484 30.078 29.762 -0.279 0.000 1.397 1334 H HN 0.131 nan 8.280 nan 0.000 0.572 1335 I N 1.819 122.435 120.570 0.076 0.000 2.330 1335 I HA 0.007 4.177 4.170 -0.000 0.000 0.289 1335 I C 1.219 177.370 176.117 0.057 0.000 1.001 1335 I CA -0.052 61.266 61.300 0.030 0.000 1.193 1335 I CB 1.771 39.803 38.000 0.053 0.000 1.345 1335 I HN 0.098 nan 8.210 nan 0.000 0.461 1336 K N 6.286 126.703 120.400 0.028 0.000 2.002 1336 K HA -0.117 4.203 4.320 -0.000 0.000 0.209 1336 K C 0.883 177.503 176.600 0.032 0.000 1.048 1336 K CA 1.285 57.591 56.287 0.032 0.000 0.930 1336 K CB 0.124 32.629 32.500 0.008 0.000 0.714 1336 K HN 0.702 nan 8.250 nan 0.000 0.438 1337 N N 2.565 121.275 118.700 0.017 0.000 3.103 1337 N HA 0.031 4.771 4.740 -0.000 0.000 0.305 1337 N C -0.250 175.273 175.510 0.022 0.000 1.232 1337 N CA 0.211 53.268 53.050 0.013 0.000 1.190 1337 N CB -0.603 37.882 38.487 -0.003 0.000 1.461 1337 N HN 0.361 nan 8.380 nan 0.000 0.538 1338 I N -3.637 116.957 120.570 0.039 0.000 2.892 1338 I HA 0.525 4.695 4.170 -0.000 0.000 0.306 1338 I C -0.423 175.724 176.117 0.050 0.000 1.078 1338 I CA -1.479 59.850 61.300 0.049 0.000 1.032 1338 I CB 1.810 39.855 38.000 0.075 0.000 1.229 1338 I HN -0.292 nan 8.210 nan 0.000 0.435 1339 V N 4.541 124.486 119.914 0.050 0.000 2.521 1339 V HA 0.274 4.394 4.120 -0.000 0.000 0.286 1339 V C 0.335 176.468 176.094 0.065 0.000 1.034 1339 V CA -0.036 62.294 62.300 0.050 0.000 1.045 1339 V CB 0.403 32.254 31.823 0.048 0.000 0.974 1339 V HN 0.884 nan 8.190 nan 0.000 0.480 1340 K N 6.017 126.452 120.400 0.058 0.000 2.466 1340 K HA 0.617 4.937 4.320 -0.000 0.000 0.260 1340 K C -2.351 174.281 176.600 0.053 0.000 1.011 1340 K CA -1.474 54.852 56.287 0.065 0.000 0.871 1340 K CB 1.651 34.191 32.500 0.066 0.000 1.404 1340 K HN 0.330 nan 8.250 nan 0.000 0.450 1341 P HA 0.100 nan 4.420 nan 0.000 0.249 1341 P C -0.308 177.040 177.300 0.080 0.000 1.229 1341 P CA 0.076 63.215 63.100 0.064 0.000 0.788 1341 P CB 0.301 32.032 31.700 0.051 0.000 1.072 1342 V N 0.130 120.091 119.914 0.077 0.000 2.588 1342 V HA 0.197 4.317 4.120 -0.000 0.000 0.304 1342 V C 0.372 176.525 176.094 0.098 0.000 1.042 1342 V CA -0.598 61.755 62.300 0.090 0.000 0.877 1342 V CB 1.870 33.738 31.823 0.074 0.000 0.996 1342 V HN -0.128 nan 8.190 nan 0.000 0.425 1343 S N 5.248 121.017 115.700 0.116 0.000 3.829 1343 S HA 0.250 4.719 4.470 -0.000 0.000 0.250 1343 S C -0.007 174.686 174.600 0.154 0.000 1.263 1343 S CA -0.176 58.095 58.200 0.119 0.000 0.955 1343 S CB -0.876 62.388 63.200 0.107 0.000 1.611 1343 S HN 0.833 nan 8.310 nan 0.000 0.483 1344 K N -0.387 120.094 120.400 0.135 0.000 2.587 1344 K HA 0.821 5.141 4.320 -0.000 0.000 0.276 1344 K C -1.250 175.406 176.600 0.093 0.000 0.956 1344 K CA -1.171 55.214 56.287 0.162 0.000 0.857 1344 K CB 1.250 33.873 32.500 0.205 0.000 1.431 1344 K HN 0.219 nan 8.250 nan 0.000 0.420 1345 A N 0.653 123.513 122.820 0.066 0.000 2.557 1345 A HA 0.767 5.087 4.320 -0.000 0.000 0.292 1345 A C -2.981 174.599 177.584 -0.008 0.000 1.139 1345 A CA -1.368 50.679 52.037 0.018 0.000 0.665 1345 A CB 1.153 20.144 19.000 -0.014 0.000 1.285 1345 A HN 0.592 nan 8.150 nan 0.000 0.433 1346 P HA 0.327 nan 4.420 nan 0.000 0.272 1346 P C 0.301 177.541 177.300 -0.101 0.000 1.248 1346 P CA 0.587 63.679 63.100 -0.014 0.000 0.799 1346 P CB 0.243 31.945 31.700 0.003 0.000 0.997 1347 A N 0.533 123.338 122.820 -0.025 0.000 2.547 1347 A HA 0.341 4.661 4.320 -0.000 0.000 0.233 1347 A C 0.716 178.148 177.584 -0.252 0.000 1.067 1347 A CA 0.346 52.333 52.037 -0.083 0.000 0.763 1347 A CB -0.811 18.427 19.000 0.396 0.000 1.007 1347 A HN 0.643 nan 8.150 nan 0.000 0.506 1348 A N 1.270 123.713 122.820 -0.629 0.000 2.409 1348 A HA 0.486 4.806 4.320 -0.000 0.000 0.262 1348 A C 0.933 178.486 177.584 -0.051 0.000 1.113 1348 A CA -0.360 51.421 52.037 -0.427 0.000 0.790 1348 A CB 0.286 18.885 19.000 -0.668 0.000 1.046 1348 A HN 0.750 nan 8.150 nan 0.000 0.496 1349 K N 1.205 121.571 120.400 -0.057 0.000 2.334 1349 K HA 0.115 4.435 4.320 -0.000 0.000 0.195 1349 K C -0.031 176.576 176.600 0.013 0.000 1.045 1349 K CA 0.588 56.882 56.287 0.011 0.000 1.004 1349 K CB 0.346 32.843 32.500 -0.004 0.000 0.837 1349 K HN 0.620 nan 8.250 nan 0.000 0.510 1350 R N 0.895 121.365 120.500 -0.050 0.000 2.513 1350 R HA 0.400 4.740 4.340 -0.000 0.000 0.301 1350 R C -0.909 175.306 176.300 -0.141 0.000 0.968 1350 R CA -0.649 55.428 56.100 -0.037 0.000 0.872 1350 R CB 1.994 32.232 30.300 -0.104 0.000 1.177 1350 R HN -0.254 nan 8.270 nan 0.000 0.444 1351 V N 5.144 125.002 119.914 -0.094 0.000 2.378 1351 V HA 0.437 4.557 4.120 -0.000 0.000 0.288 1351 V C -0.220 175.690 176.094 -0.306 0.000 1.016 1351 V CA -0.783 61.399 62.300 -0.197 0.000 0.840 1351 V CB 1.634 33.382 31.823 -0.125 0.000 0.994 1351 V HN 0.513 nan 8.190 nan 0.000 0.431 1352 I N 5.499 125.861 120.570 -0.346 0.000 2.354 1352 I HA 0.490 4.660 4.170 -0.000 0.000 0.292 1352 I C -0.631 175.452 176.117 -0.056 0.000 0.989 1352 I CA -0.125 61.034 61.300 -0.235 0.000 1.188 1352 I CB 1.311 39.163 38.000 -0.247 0.000 1.342 1352 I HN 0.314 nan 8.210 nan 0.000 0.457 1353 F N 6.535 126.542 119.950 0.095 0.000 2.361 1353 F HA 0.461 4.988 4.527 -0.000 0.000 0.364 1353 F C 0.001 175.684 175.800 -0.195 0.000 1.120 1353 F CA -0.940 57.026 58.000 -0.057 0.000 1.102 1353 F CB 0.509 39.571 39.000 0.104 0.000 1.183 1353 F HN 0.122 nan 8.300 nan 0.000 0.476 1354 L N 2.938 124.080 121.223 -0.136 0.000 2.292 1354 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 1354 L C 0.301 177.060 176.870 -0.184 0.000 1.065 1354 L CA -0.427 54.350 54.840 -0.105 0.000 0.806 1354 L CB 1.448 43.477 42.059 -0.050 0.000 1.175 1354 L HN 0.586 nan 8.230 nan 0.000 0.431 1355 S N 2.492 118.192 115.700 -0.001 0.000 2.672 1355 S HA 0.670 5.140 4.470 -0.000 0.000 0.291 1355 S C -0.448 174.199 174.600 0.078 0.000 1.145 1355 S CA -0.591 57.676 58.200 0.111 0.000 1.013 1355 S CB 1.607 64.975 63.200 0.279 0.000 1.017 1355 S HN 0.655 nan 8.310 nan 0.000 0.487 1356 A N 3.982 126.835 122.820 0.055 0.000 2.798 1356 A HA 0.377 4.697 4.320 -0.000 0.000 0.316 1356 A C -0.120 177.549 177.584 0.142 0.000 1.506 1356 A CA -0.451 51.646 52.037 0.100 0.000 1.162 1356 A CB -0.315 18.756 19.000 0.119 0.000 1.138 1356 A HN 0.784 nan 8.150 nan 0.000 0.532 1357 D N 3.032 123.560 120.400 0.213 0.000 2.352 1357 D HA 0.392 5.032 4.640 -0.000 0.000 0.245 1357 D C 1.047 177.556 176.300 0.347 0.000 1.224 1357 D CA 0.428 54.582 54.000 0.256 0.000 0.879 1357 D CB 1.083 42.142 40.800 0.431 0.000 1.057 1357 D HN 0.384 nan 8.370 nan 0.000 0.491 1358 A N 3.665 126.496 122.820 0.018 0.000 2.167 1358 A HA -0.028 4.292 4.320 -0.000 0.000 0.214 1358 A C 1.339 178.812 177.584 -0.184 0.000 1.151 1358 A CA 0.355 52.204 52.037 -0.313 0.000 0.735 1358 A CB -0.444 18.147 19.000 -0.681 0.000 0.802 1358 A HN 0.555 nan 8.150 nan 0.000 0.467 1359 F N -0.374 119.681 119.950 0.176 0.000 2.743 1359 F HA 0.276 4.803 4.527 -0.000 0.000 0.297 1359 F C 1.903 177.859 175.800 0.259 0.000 1.131 1359 F CA 0.039 58.147 58.000 0.179 0.000 1.426 1359 F CB -0.536 38.588 39.000 0.207 0.000 1.116 1359 F HN 0.332 nan 8.300 nan 0.000 0.583 1360 G N 0.551 109.647 108.800 0.493 0.000 2.273 1360 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 1360 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 1360 G C 0.807 176.073 174.900 0.609 0.000 1.047 1360 G CA 0.482 45.893 45.100 0.518 0.000 0.869 1360 G HN 0.271 nan 8.290 nan 0.000 0.502 1361 V N -0.204 120.025 119.914 0.525 0.000 2.908 1361 V HA 0.284 4.404 4.120 -0.000 0.000 0.240 1361 V C 1.845 178.308 176.094 0.614 0.000 1.117 1361 V CA 0.760 63.370 62.300 0.517 0.000 1.133 1361 V CB -0.090 31.838 31.823 0.175 0.000 0.857 1361 V HN 0.424 nan 8.190 nan 0.000 0.478 1362 L N 3.526 124.983 121.223 0.390 0.000 2.485 1362 L HA 0.182 4.522 4.340 -0.000 0.000 0.275 1362 L C -2.016 174.973 176.870 0.198 0.000 1.207 1362 L CA -1.113 53.866 54.840 0.232 0.000 0.855 1362 L CB 0.028 42.183 42.059 0.160 0.000 1.114 1362 L HN 0.159 nan 8.230 nan 0.000 0.485 1363 P HA 0.211 nan 4.420 nan 0.000 0.276 1363 P C -2.341 174.954 177.300 -0.008 0.000 1.252 1363 P CA -1.837 61.294 63.100 0.051 0.000 0.802 1363 P CB 0.479 32.193 31.700 0.023 0.000 1.035 1364 P HA -0.128 nan 4.420 nan 0.000 0.217 1364 P C 0.338 177.616 177.300 -0.037 0.000 1.151 1364 P CA 1.556 64.647 63.100 -0.015 0.000 0.849 1364 P CB 0.206 31.895 31.700 -0.017 0.000 0.787 1365 V N -2.056 117.827 119.914 -0.052 0.000 2.852 1365 V HA 0.404 4.524 4.120 -0.000 0.000 0.300 1365 V C -1.506 174.546 176.094 -0.070 0.000 1.205 1365 V CA -0.528 61.741 62.300 -0.053 0.000 0.940 1365 V CB 2.284 34.091 31.823 -0.027 0.000 1.047 1365 V HN -0.247 nan 8.190 nan 0.000 0.429 1366 S N 6.952 122.582 115.700 -0.117 0.000 2.502 1366 S HA 0.653 5.123 4.470 -0.000 0.000 0.304 1366 S C -0.452 174.158 174.600 0.016 0.000 1.097 1366 S CA -0.448 57.670 58.200 -0.137 0.000 1.045 1366 S CB 1.515 64.377 63.200 -0.563 0.000 1.019 1366 S HN 0.660 nan 8.310 nan 0.000 0.481 1367 I N 3.912 124.528 120.570 0.077 0.000 2.294 1367 I HA 0.153 4.323 4.170 -0.000 0.000 0.295 1367 I C -0.711 175.399 176.117 -0.012 0.000 1.098 1367 I CA -0.537 60.788 61.300 0.043 0.000 1.277 1367 I CB 0.101 38.163 38.000 0.103 0.000 1.434 1367 I HN 0.276 nan 8.210 nan 0.000 0.498 1368 L N 5.896 127.066 121.223 -0.088 0.000 2.417 1368 L HA 0.247 4.587 4.340 -0.000 0.000 0.268 1368 L C 0.787 177.664 176.870 0.012 0.000 1.158 1368 L CA 0.346 55.211 54.840 0.042 0.000 0.819 1368 L CB 1.238 43.376 42.059 0.131 0.000 1.112 1368 L HN 0.668 nan 8.230 nan 0.000 0.458 1369 S N 1.596 117.351 115.700 0.092 0.000 2.672 1369 S HA 0.389 4.859 4.470 -0.000 0.000 0.276 1369 S C 0.983 175.633 174.600 0.083 0.000 1.207 1369 S CA -0.751 57.485 58.200 0.060 0.000 1.002 1369 S CB 1.050 64.289 63.200 0.065 0.000 0.998 1369 S HN 0.546 nan 8.310 nan 0.000 0.542 1370 K N 0.829 121.262 120.400 0.053 0.000 2.059 1370 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 1370 K C 2.114 178.774 176.600 0.099 0.000 1.050 1370 K CA 2.138 58.463 56.287 0.063 0.000 0.927 1370 K CB -0.343 32.178 32.500 0.035 0.000 0.714 1370 K HN 0.853 nan 8.250 nan 0.000 0.447 1371 E N 1.113 121.362 120.200 0.083 0.000 2.077 1371 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 1371 E C 2.064 178.751 176.600 0.144 0.000 0.989 1371 E CA 1.290 57.739 56.400 0.081 0.000 0.800 1371 E CB 0.129 29.843 29.700 0.024 0.000 0.746 1371 E HN 0.324 nan 8.360 nan 0.000 0.452 1372 Q N -0.356 119.563 119.800 0.198 0.000 2.119 1372 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 1372 Q C 2.241 178.569 176.000 0.547 0.000 0.972 1372 Q CA 1.716 57.751 55.803 0.387 0.000 0.847 1372 Q CB -0.025 29.000 28.738 0.478 0.000 0.903 1372 Q HN 0.274 nan 8.270 nan 0.000 0.433 1373 T N 1.567 116.373 114.554 0.419 0.000 2.635 1373 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 1373 T C 1.642 176.628 174.700 0.477 0.000 1.040 1373 T CA 1.713 64.123 62.100 0.516 0.000 1.156 1373 T CB -0.130 68.923 68.868 0.310 0.000 0.863 1373 T HN 0.272 nan 8.240 nan 0.000 0.430 1374 K N -0.121 120.464 120.400 0.307 0.000 2.057 1374 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 1374 K C 2.147 178.892 176.600 0.242 0.000 1.050 1374 K CA 1.241 57.674 56.287 0.244 0.000 0.935 1374 K CB -0.391 32.204 32.500 0.159 0.000 0.715 1374 K HN 0.343 nan 8.250 nan 0.000 0.439 1375 Y N 0.622 120.972 120.300 0.084 0.000 2.097 1375 Y HA -0.310 4.240 4.550 -0.000 0.000 0.282 1375 Y C 1.842 177.735 175.900 -0.012 0.000 1.152 1375 Y CA 1.636 59.697 58.100 -0.065 0.000 1.136 1375 Y CB -0.286 37.947 38.460 -0.378 0.000 0.975 1375 Y HN 0.032 nan 8.280 nan 0.000 0.498 1376 Y N -1.787 118.768 120.300 0.425 0.000 2.373 1376 Y HA -0.172 4.378 4.550 -0.000 0.000 0.293 1376 Y C 2.227 178.141 175.900 0.023 0.000 1.129 1376 Y CA 1.242 59.564 58.100 0.369 0.000 1.226 1376 Y CB -0.582 38.194 38.460 0.527 0.000 1.000 1376 Y HN 0.259 nan 8.280 nan 0.000 0.549 1377 F N -0.034 119.823 119.950 -0.155 0.000 2.146 1377 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 1377 F C 1.804 177.389 175.800 -0.357 0.000 1.096 1377 F CA 1.387 59.092 58.000 -0.492 0.000 1.275 1377 F CB -0.223 38.521 39.000 -0.428 0.000 1.008 1377 F HN -0.079 nan 8.300 nan 0.000 0.480 1378 L N -0.726 120.319 121.223 -0.296 0.000 2.072 1378 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 1378 L C 2.545 179.262 176.870 -0.255 0.000 1.079 1378 L CA 1.287 55.878 54.840 -0.416 0.000 0.752 1378 L CB -0.784 40.891 42.059 -0.640 0.000 0.906 1378 L HN 0.061 nan 8.230 nan 0.000 0.436 1379 S N -0.112 115.502 115.700 -0.142 0.000 2.368 1379 S HA -0.106 4.363 4.470 -0.000 0.000 0.225 1379 S C 1.471 176.078 174.600 0.011 0.000 1.030 1379 S CA 0.978 59.206 58.200 0.047 0.000 0.999 1379 S CB -0.583 62.751 63.200 0.223 0.000 0.844 1379 S HN 0.646 nan 8.310 nan 0.000 0.459 1380 G N 1.579 110.153 108.800 -0.377 0.000 2.356 1380 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.296 1380 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.296 1380 G C -0.087 174.608 174.900 -0.340 0.000 1.022 1380 G CA 0.186 44.692 45.100 -0.990 0.000 0.961 1380 G HN 0.470 nan 8.290 nan 0.000 0.510 1381 F N 1.433 121.363 119.950 -0.033 0.000 2.506 1381 F HA 0.583 5.110 4.527 -0.000 0.000 0.371 1381 F C 0.741 176.634 175.800 0.156 0.000 1.078 1381 F CA 0.954 58.915 58.000 -0.064 0.000 1.195 1381 F CB 1.164 40.154 39.000 -0.017 0.000 1.099 1381 F HN 0.264 nan 8.300 nan 0.000 0.548 1382 T N 3.533 117.628 114.554 -0.765 0.000 2.631 1382 T HA 0.782 5.132 4.350 -0.000 0.000 0.261 1382 T C -1.866 172.483 174.700 -0.585 0.000 1.109 1382 T CA 0.033 61.842 62.100 -0.485 0.000 1.180 1382 T CB 0.371 69.277 68.868 0.062 0.000 1.756 1382 T HN 0.998 nan 8.240 nan 0.000 0.443 1383 A N 1.080 123.757 122.820 -0.239 0.000 2.517 1383 A HA 0.721 5.041 4.320 -0.000 0.000 0.297 1383 A C -1.470 176.076 177.584 -0.064 0.000 1.050 1383 A CA -0.679 51.241 52.037 -0.195 0.000 0.694 1383 A CB 1.382 20.285 19.000 -0.162 0.000 1.277 1383 A HN 0.648 nan 8.150 nan 0.000 0.400 1384 K N 1.877 122.236 120.400 -0.069 0.000 2.297 1384 K HA 0.638 4.958 4.320 -0.000 0.000 0.286 1384 K C -0.233 176.363 176.600 -0.007 0.000 1.053 1384 K CA -0.076 56.200 56.287 -0.018 0.000 0.940 1384 K CB 0.812 33.293 32.500 -0.030 0.000 1.019 1384 K HN 0.701 nan 8.250 nan 0.000 0.475 1385 L N -1.704 119.537 121.223 0.030 0.000 2.816 1385 L HA 0.665 5.005 4.340 -0.000 0.000 0.262 1385 L C -0.420 176.478 176.870 0.046 0.000 1.106 1385 L CA -1.057 53.809 54.840 0.043 0.000 0.973 1385 L CB 0.967 43.087 42.059 0.100 0.000 1.570 1385 L HN 0.628 nan 8.230 nan 0.000 0.379 1386 A N -0.005 122.846 122.820 0.053 0.000 2.771 1386 A HA 0.028 4.348 4.320 -0.000 0.000 0.294 1386 A C 1.515 179.111 177.584 0.020 0.000 1.500 1386 A CA 1.738 53.799 52.037 0.041 0.000 0.829 1386 A CB -2.476 16.550 19.000 0.044 0.000 0.998 1386 A HN 2.796 nan 8.150 nan 0.000 0.526 1387 G N -2.588 106.214 108.800 0.004 0.000 2.187 1387 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.261 1387 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.261 1387 G C 1.554 176.430 174.900 -0.040 0.000 1.000 1387 G CA 1.747 46.833 45.100 -0.023 0.000 0.718 1387 G HN 2.328 nan 8.290 nan 0.000 0.519 1388 T N -2.618 111.935 114.554 -0.001 0.000 2.849 1388 T HA 0.104 4.454 4.350 -0.000 0.000 0.270 1388 T C 0.756 175.435 174.700 -0.036 0.000 1.066 1388 T CA 1.737 63.849 62.100 0.020 0.000 1.130 1388 T CB 0.207 69.134 68.868 0.099 0.000 0.864 1388 T HN 0.637 nan 8.240 nan 0.000 0.481 1389 E N 0.748 120.922 120.200 -0.043 0.000 2.234 1389 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 1389 E C -0.800 175.755 176.600 -0.075 0.000 0.877 1389 E CA -0.958 55.407 56.400 -0.059 0.000 0.758 1389 E CB 1.811 31.493 29.700 -0.031 0.000 1.170 1389 E HN 0.264 nan 8.360 nan 0.000 0.415 1390 R N 0.675 121.121 120.500 -0.090 0.000 2.583 1390 R HA 0.103 4.443 4.340 -0.000 0.000 0.274 1390 R C 1.103 177.368 176.300 -0.059 0.000 0.998 1390 R CA 1.442 57.492 56.100 -0.083 0.000 1.081 1390 R CB 0.065 30.320 30.300 -0.074 0.000 0.940 1390 R HN 0.962 nan 8.270 nan 0.000 0.413 1391 G N 2.648 111.414 108.800 -0.058 0.000 2.299 1391 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.237 1391 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.237 1391 G C 0.281 175.159 174.900 -0.037 0.000 1.027 1391 G CA -0.264 44.810 45.100 -0.044 0.000 0.619 1391 G HN 0.542 nan 8.290 nan 0.000 0.513 1392 I N 3.052 123.599 120.570 -0.037 0.000 2.282 1392 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 1392 I C 1.645 177.746 176.117 -0.027 0.000 1.090 1392 I CA 0.516 61.796 61.300 -0.032 0.000 1.231 1392 I CB 1.196 39.177 38.000 -0.031 0.000 1.434 1392 I HN 0.309 nan 8.210 nan 0.000 0.487 1393 T N 0.143 114.682 114.554 -0.025 0.000 2.990 1393 T HA 0.169 4.519 4.350 -0.000 0.000 0.249 1393 T C 0.632 175.326 174.700 -0.010 0.000 1.039 1393 T CA -0.097 61.994 62.100 -0.015 0.000 1.036 1393 T CB 0.293 69.152 68.868 -0.015 0.000 0.994 1393 T HN 0.304 nan 8.240 nan 0.000 0.489 1394 E N 2.494 122.678 120.200 -0.027 0.000 2.242 1394 E HA 0.463 4.813 4.350 -0.000 0.000 0.275 1394 E C -2.881 173.677 176.600 -0.069 0.000 1.002 1394 E CA -2.746 53.628 56.400 -0.044 0.000 0.841 1394 E CB 1.109 30.775 29.700 -0.058 0.000 1.109 1394 E HN 0.069 nan 8.360 nan 0.000 0.394 1395 P HA 0.007 nan 4.420 nan 0.000 0.257 1395 P C -1.204 175.967 177.300 -0.214 0.000 1.189 1395 P CA 0.464 63.464 63.100 -0.165 0.000 0.780 1395 P CB 0.366 31.827 31.700 -0.399 0.000 0.772 1396 T N 6.715 121.172 114.554 -0.163 0.000 2.842 1396 T HA 0.318 4.668 4.350 -0.000 0.000 0.308 1396 T C -2.346 172.224 174.700 -0.216 0.000 1.041 1396 T CA -1.835 60.163 62.100 -0.169 0.000 0.964 1396 T CB 0.650 69.457 68.868 -0.101 0.000 0.972 1396 T HN 0.228 nan 8.240 nan 0.000 0.460 1397 P HA 0.177 nan 4.420 nan 0.000 0.266 1397 P C -0.206 176.945 177.300 -0.247 0.000 1.195 1397 P CA 0.220 63.085 63.100 -0.392 0.000 0.768 1397 P CB 0.794 32.172 31.700 -0.537 0.000 0.838 1398 T N 1.557 115.906 114.554 -0.343 0.000 2.802 1398 T HA 0.521 4.871 4.350 -0.000 0.000 0.311 1398 T C -1.793 172.724 174.700 -0.304 0.000 1.405 1398 T CA -0.469 61.507 62.100 -0.206 0.000 1.016 1398 T CB 0.497 69.302 68.868 -0.105 0.000 1.352 1398 T HN 0.005 nan 8.240 nan 0.000 0.498 1399 F N 2.719 122.679 119.950 0.016 0.000 2.300 1399 F HA 0.492 5.019 4.527 -0.000 0.000 0.364 1399 F C 0.798 176.574 175.800 -0.039 0.000 1.090 1399 F CA -0.526 57.469 58.000 -0.008 0.000 1.200 1399 F CB 1.313 40.289 39.000 -0.039 0.000 1.493 1399 F HN 0.378 nan 8.300 nan 0.000 0.518 1400 S N 2.446 118.166 115.700 0.035 0.000 2.415 1400 S HA 0.289 4.759 4.470 -0.000 0.000 0.313 1400 S C 0.148 174.682 174.600 -0.110 0.000 1.067 1400 S CA -0.532 57.667 58.200 -0.001 0.000 1.099 1400 S CB -0.053 63.142 63.200 -0.008 0.000 0.991 1400 S HN 0.445 nan 8.310 nan 0.000 0.491 1401 S N 3.180 118.872 115.700 -0.012 0.000 2.593 1401 S HA -0.020 4.450 4.470 -0.000 0.000 0.300 1401 S C 1.053 175.421 174.600 -0.387 0.000 1.267 1401 S CA 0.059 58.177 58.200 -0.136 0.000 1.065 1401 S CB -0.381 62.867 63.200 0.080 0.000 0.807 1401 S HN 1.068 nan 8.310 nan 0.000 0.499 1402 C N 1.922 120.751 119.300 -0.785 0.000 4.265 1402 C HA -0.227 4.233 4.460 -0.000 0.000 0.287 1402 C C 0.641 175.386 174.990 -0.408 0.000 1.451 1402 C CA 0.202 58.513 59.018 -1.179 0.000 1.966 1402 C CB -3.023 24.209 27.740 -0.847 0.000 1.302 1402 C HN 1.057 nan 8.230 nan 0.000 0.794 1403 F N -2.076 117.772 119.950 -0.170 0.000 3.093 1403 F HA -0.098 4.429 4.527 -0.000 0.000 0.287 1403 F C 1.062 177.053 175.800 0.317 0.000 0.882 1403 F CA 1.705 59.764 58.000 0.099 0.000 1.063 1403 F CB -1.560 37.557 39.000 0.196 0.000 1.097 1403 F HN 0.750 nan 8.300 nan 0.000 0.604 1404 G N -1.851 107.118 108.800 0.281 0.000 5.413 1404 G HA2 0.485 4.445 3.960 -0.000 0.000 0.206 1404 G HA3 0.485 4.445 3.960 -0.000 0.000 0.206 1404 G C 0.759 175.657 174.900 -0.004 0.000 0.794 1404 G CA 0.077 45.394 45.100 0.361 0.000 0.751 1404 G HN 0.682 nan 8.290 nan 0.000 0.334 1405 A N 0.788 123.561 122.820 -0.078 0.000 1.917 1405 A HA 0.160 4.480 4.320 -0.000 0.000 0.219 1405 A C 2.721 180.200 177.584 -0.175 0.000 1.182 1405 A CA 2.695 54.687 52.037 -0.075 0.000 0.633 1405 A CB -0.514 18.502 19.000 0.027 0.000 0.819 1405 A HN 1.413 nan 8.150 nan 0.000 0.448 1406 A N -1.657 120.911 122.820 -0.420 0.000 2.131 1406 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 1406 A C 1.456 178.683 177.584 -0.595 0.000 1.158 1406 A CA 1.430 53.120 52.037 -0.579 0.000 0.665 1406 A CB -0.639 17.891 19.000 -0.783 0.000 0.795 1406 A HN 0.547 nan 8.150 nan 0.000 0.460 1407 F N -1.565 118.340 119.950 -0.074 0.000 2.678 1407 F HA 0.363 4.890 4.527 0.000 0.000 0.305 1407 F C -0.003 175.649 175.800 -0.248 0.000 1.090 1407 F CA -1.226 56.672 58.000 -0.171 0.000 1.272 1407 F CB -0.155 38.725 39.000 -0.199 0.000 1.060 1407 F HN -0.102 nan 8.300 nan 0.000 0.576 1408 L N 1.286 122.459 121.223 -0.083 0.000 2.361 1408 L HA 0.190 4.530 4.340 -0.000 0.000 0.278 1408 L C 1.447 178.371 176.870 0.089 0.000 1.113 1408 L CA 0.374 55.173 54.840 -0.068 0.000 0.849 1408 L CB 0.623 42.608 42.059 -0.123 0.000 1.155 1408 L HN 0.233 nan 8.230 nan 0.000 0.452 1409 T N 0.347 114.974 114.554 0.122 0.000 2.990 1409 T HA 0.351 4.701 4.350 -0.000 0.000 0.250 1409 T C 0.643 175.428 174.700 0.141 0.000 1.041 1409 T CA -0.058 62.052 62.100 0.017 0.000 1.010 1409 T CB 0.147 68.936 68.868 -0.131 0.000 1.003 1409 T HN 0.190 nan 8.240 nan 0.000 0.499 1410 L N 2.138 123.508 121.223 0.244 0.000 2.313 1410 L HA 0.540 4.880 4.340 -0.000 0.000 0.268 1410 L C -2.398 174.382 176.870 -0.151 0.000 1.010 1410 L CA -3.140 51.740 54.840 0.068 0.000 0.814 1410 L CB 1.839 43.800 42.059 -0.165 0.000 1.304 1410 L HN -0.130 nan 8.230 nan 0.000 0.441 1411 P HA 0.054 nan 4.420 nan 0.000 0.265 1411 P C -2.398 174.559 177.300 -0.572 0.000 1.193 1411 P CA -1.077 61.425 63.100 -0.996 0.000 0.765 1411 P CB 0.407 31.793 31.700 -0.523 0.000 0.823 1412 P HA -0.227 nan 4.420 nan 0.000 0.218 1412 P C 1.665 178.953 177.300 -0.021 0.000 1.154 1412 P CA 2.450 65.422 63.100 -0.214 0.000 0.872 1412 P CB -0.641 30.955 31.700 -0.174 0.000 0.790 1413 T N -2.864 111.641 114.554 -0.082 0.000 2.849 1413 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 1413 T C 1.761 176.428 174.700 -0.055 0.000 1.066 1413 T CA 1.437 63.498 62.100 -0.066 0.000 1.130 1413 T CB -0.566 68.272 68.868 -0.050 0.000 0.864 1413 T HN 0.021 nan 8.240 nan 0.000 0.481 1414 K N 0.578 120.903 120.400 -0.126 0.000 2.062 1414 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 1414 K C 1.817 178.297 176.600 -0.200 0.000 1.051 1414 K CA 1.105 57.266 56.287 -0.210 0.000 0.941 1414 K CB -0.697 31.587 32.500 -0.361 0.000 0.719 1414 K HN 0.523 nan 8.250 nan 0.000 0.440 1415 Y N 0.027 120.332 120.300 0.009 0.000 2.200 1415 Y HA -0.056 4.494 4.550 -0.000 0.000 0.290 1415 Y C 2.253 178.255 175.900 0.171 0.000 1.137 1415 Y CA 1.278 59.457 58.100 0.131 0.000 1.163 1415 Y CB -0.645 37.943 38.460 0.213 0.000 0.988 1415 Y HN 0.141 nan 8.280 nan 0.000 0.518 1416 A N 0.111 123.137 122.820 0.343 0.000 1.902 1416 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1416 A C 2.177 179.776 177.584 0.025 0.000 1.181 1416 A CA 1.825 53.991 52.037 0.215 0.000 0.623 1416 A CB -0.802 18.329 19.000 0.220 0.000 0.818 1416 A HN 0.542 nan 8.150 nan 0.000 0.443 1417 E N 0.014 120.216 120.200 0.003 0.000 2.033 1417 E HA -0.183 4.167 4.350 -0.000 0.000 0.199 1417 E C 1.890 178.449 176.600 -0.068 0.000 1.011 1417 E CA 2.039 58.415 56.400 -0.039 0.000 0.815 1417 E CB -0.240 29.428 29.700 -0.052 0.000 0.755 1417 E HN 0.312 nan 8.360 nan 0.000 0.451 1418 V N 1.316 121.191 119.914 -0.065 0.000 2.287 1418 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 1418 V C 2.541 178.545 176.094 -0.151 0.000 1.053 1418 V CA 1.696 63.943 62.300 -0.088 0.000 1.027 1418 V CB -0.730 31.069 31.823 -0.041 0.000 0.646 1418 V HN 0.349 nan 8.190 nan 0.000 0.447 1419 L N 0.222 121.374 121.223 -0.118 0.000 1.989 1419 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 1419 L C 2.399 179.104 176.870 -0.275 0.000 1.071 1419 L CA 1.930 56.647 54.840 -0.206 0.000 0.749 1419 L CB -0.611 41.272 42.059 -0.292 0.000 0.890 1419 L HN 0.120 nan 8.230 nan 0.000 0.431 1420 V N 0.128 119.929 119.914 -0.190 0.000 2.287 1420 V HA -0.358 3.762 4.120 -0.000 0.000 0.248 1420 V C 2.674 178.666 176.094 -0.171 0.000 1.053 1420 V CA 2.246 64.462 62.300 -0.140 0.000 1.027 1420 V CB -0.842 30.939 31.823 -0.071 0.000 0.646 1420 V HN 0.579 nan 8.190 nan 0.000 0.447 1421 K N -0.276 120.018 120.400 -0.178 0.000 2.074 1421 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 1421 K C 2.420 178.857 176.600 -0.273 0.000 1.048 1421 K CA 1.480 57.660 56.287 -0.178 0.000 0.926 1421 K CB -0.080 32.329 32.500 -0.152 0.000 0.713 1421 K HN 0.248 nan 8.250 nan 0.000 0.444 1422 R N 0.293 120.499 120.500 -0.490 0.000 2.075 1422 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 1422 R C 2.297 178.232 176.300 -0.609 0.000 1.126 1422 R CA 1.566 57.149 56.100 -0.861 0.000 0.963 1422 R CB -0.625 28.467 30.300 -2.013 0.000 0.858 1422 R HN 0.390 nan 8.270 nan 0.000 0.435 1423 M N 0.485 119.817 119.600 -0.447 0.000 2.159 1423 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 1423 M C 1.897 178.170 176.300 -0.044 0.000 1.063 1423 M CA 1.606 56.840 55.300 -0.110 0.000 1.110 1423 M CB -0.260 32.313 32.600 -0.045 0.000 1.374 1423 M HN 0.144 nan 8.290 nan 0.000 0.411 1424 E N 0.389 120.540 120.200 -0.081 0.000 2.110 1424 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 1424 E C 2.021 178.610 176.600 -0.019 0.000 0.988 1424 E CA 1.290 57.665 56.400 -0.040 0.000 0.804 1424 E CB -0.151 29.520 29.700 -0.049 0.000 0.745 1424 E HN 0.520 nan 8.360 nan 0.000 0.458 1425 A N 0.978 123.778 122.820 -0.034 0.000 2.067 1425 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 1425 A C 2.185 179.805 177.584 0.060 0.000 1.156 1425 A CA 1.347 53.387 52.037 0.005 0.000 0.683 1425 A CB -0.156 18.838 19.000 -0.009 0.000 0.808 1425 A HN 0.283 nan 8.150 nan 0.000 0.455 1426 S N -2.322 113.436 115.700 0.097 0.000 2.503 1426 S HA 0.383 4.853 4.470 -0.000 0.000 0.215 1426 S C 1.406 176.072 174.600 0.110 0.000 1.003 1426 S CA 1.018 59.317 58.200 0.164 0.000 0.910 1426 S CB -0.217 63.193 63.200 0.350 0.000 0.790 1426 S HN 1.821 nan 8.310 nan 0.000 0.514 1427 G N 1.473 110.318 108.800 0.074 0.000 2.176 1427 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.252 1427 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.252 1427 G C 0.219 175.153 174.900 0.057 0.000 1.024 1427 G CA 0.002 45.132 45.100 0.050 0.000 0.755 1427 G HN 1.242 nan 8.290 nan 0.000 0.507 1428 A N -0.402 122.469 122.820 0.085 0.000 2.425 1428 A HA 0.652 4.972 4.320 -0.000 0.000 0.249 1428 A C 0.627 178.222 177.584 0.017 0.000 1.084 1428 A CA 0.321 52.408 52.037 0.083 0.000 0.781 1428 A CB 0.497 19.600 19.000 0.172 0.000 1.019 1428 A HN 0.456 nan 8.150 nan 0.000 0.490 1429 K N 0.752 121.147 120.400 -0.008 0.000 2.164 1429 K HA 0.619 4.939 4.320 -0.000 0.000 0.258 1429 K C -0.229 176.184 176.600 -0.313 0.000 0.951 1429 K CA -0.338 55.858 56.287 -0.151 0.000 0.844 1429 K CB 2.093 34.523 32.500 -0.116 0.000 1.099 1429 K HN 0.787 nan 8.250 nan 0.000 0.435 1430 A N 2.390 124.897 122.820 -0.521 0.000 2.320 1430 A HA 0.710 5.030 4.320 -0.000 0.000 0.334 1430 A C -1.451 175.582 177.584 -0.917 0.000 1.147 1430 A CA -0.503 51.190 52.037 -0.574 0.000 0.820 1430 A CB 0.444 19.228 19.000 -0.360 0.000 1.218 1430 A HN 0.656 nan 8.150 nan 0.000 0.482 1431 Y N -0.266 119.886 120.300 -0.246 0.000 2.470 1431 Y HA 0.460 5.010 4.550 -0.000 0.000 0.341 1431 Y C -0.473 175.377 175.900 -0.084 0.000 1.021 1431 Y CA -0.558 57.462 58.100 -0.133 0.000 1.025 1431 Y CB 2.091 40.470 38.460 -0.135 0.000 1.266 1431 Y HN 0.624 nan 8.280 nan 0.000 0.448 1432 L N 4.363 125.632 121.223 0.077 0.000 2.262 1432 L HA 0.654 4.994 4.340 -0.000 0.000 0.288 1432 L C -1.365 175.495 176.870 -0.016 0.000 1.035 1432 L CA -0.784 54.089 54.840 0.056 0.000 0.820 1432 L CB 0.485 42.435 42.059 -0.181 0.000 1.204 1432 L HN 0.503 nan 8.230 nan 0.000 0.424 1433 V N 4.223 124.159 119.914 0.038 0.000 2.384 1433 V HA 0.273 4.393 4.120 -0.000 0.000 0.287 1433 V C 0.077 176.178 176.094 0.012 0.000 1.020 1433 V CA -0.831 61.474 62.300 0.008 0.000 0.850 1433 V CB 1.674 33.510 31.823 0.021 0.000 0.987 1433 V HN 0.657 nan 8.190 nan 0.000 0.436 1434 N N 3.286 121.988 118.700 0.003 0.000 2.406 1434 N HA 0.132 4.872 4.740 -0.000 0.000 0.251 1434 N C 0.906 176.411 175.510 -0.007 0.000 1.069 1434 N CA 0.096 53.166 53.050 0.033 0.000 0.947 1434 N CB 1.441 39.968 38.487 0.068 0.000 1.111 1434 N HN 0.798 nan 8.380 nan 0.000 0.497 1435 T N -0.198 114.339 114.554 -0.028 0.000 3.105 1435 T HA 0.324 4.674 4.350 -0.000 0.000 0.253 1435 T C 1.028 175.614 174.700 -0.191 0.000 1.047 1435 T CA -0.195 61.846 62.100 -0.099 0.000 0.944 1435 T CB 0.141 68.950 68.868 -0.098 0.000 1.016 1435 T HN 0.307 nan 8.240 nan 0.000 0.544 1436 G N 0.131 108.865 108.800 -0.110 0.000 2.975 1436 G HA2 0.506 4.466 3.960 -0.000 0.000 0.159 1436 G HA3 0.506 4.466 3.960 -0.000 0.000 0.159 1436 G C -0.434 174.334 174.900 -0.220 0.000 1.525 1436 G CA -1.007 43.992 45.100 -0.169 0.000 1.075 1436 G HN 0.414 nan 8.290 nan 0.000 0.574 1437 W N 0.599 121.925 121.300 0.043 0.000 2.390 1437 W HA 0.413 5.073 4.660 0.000 0.000 0.362 1437 W C 0.321 176.897 176.519 0.095 0.000 1.206 1437 W CA -0.356 57.022 57.345 0.055 0.000 1.355 1437 W CB 0.943 30.435 29.460 0.053 0.000 1.278 1437 W HN 0.752 nan 8.180 nan 0.000 0.653 1438 N N -1.647 117.229 118.700 0.293 0.000 3.387 1438 N HA 0.408 5.148 4.740 -0.000 0.000 0.322 1438 N C 0.853 176.381 175.510 0.029 0.000 1.588 1438 N CA -0.470 52.698 53.050 0.196 0.000 0.778 1438 N CB 0.765 39.314 38.487 0.104 0.000 1.883 1438 N HN 0.349 nan 8.380 nan 0.000 0.628 1439 G N -0.360 108.252 108.800 -0.314 0.000 2.475 1439 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 1439 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 1439 G C 1.429 176.099 174.900 -0.384 0.000 1.125 1439 G CA 1.934 46.467 45.100 -0.946 0.000 0.755 1439 G HN 0.798 nan 8.290 nan 0.000 0.565 1440 T N -2.012 112.442 114.554 -0.167 0.000 2.996 1440 T HA 0.234 4.584 4.350 -0.000 0.000 0.271 1440 T C 2.087 176.793 174.700 0.010 0.000 1.126 1440 T CA 1.121 63.185 62.100 -0.061 0.000 1.103 1440 T CB -0.336 68.518 68.868 -0.024 0.000 0.870 1440 T HN 1.477 nan 8.240 nan 0.000 0.528 1441 G N 0.698 109.534 108.800 0.060 0.000 2.176 1441 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.253 1441 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.253 1441 G C 0.033 175.114 174.900 0.301 0.000 0.979 1441 G CA 0.391 45.578 45.100 0.146 0.000 0.641 1441 G HN 0.719 nan 8.290 nan 0.000 0.530 1442 K N -0.389 120.159 120.400 0.247 0.000 2.280 1442 K HA 0.693 5.013 4.320 -0.000 0.000 0.234 1442 K C 0.484 177.079 176.600 -0.008 0.000 1.028 1442 K CA -1.065 55.341 56.287 0.200 0.000 0.882 1442 K CB 1.274 33.807 32.500 0.056 0.000 1.194 1442 K HN 0.133 nan 8.250 nan 0.000 0.458 1443 R N 0.728 121.011 120.500 -0.362 0.000 2.490 1443 R HA 0.273 4.613 4.340 -0.000 0.000 0.278 1443 R C 0.023 176.159 176.300 -0.273 0.000 1.069 1443 R CA -0.528 55.214 56.100 -0.597 0.000 1.080 1443 R CB 0.332 30.141 30.300 -0.819 0.000 1.030 1443 R HN 0.433 nan 8.270 nan 0.000 0.491 1444 I N 1.344 121.784 120.570 -0.217 0.000 2.775 1444 I HA -0.149 4.021 4.170 -0.000 0.000 0.290 1444 I C 1.141 177.178 176.117 -0.134 0.000 1.203 1444 I CA 0.603 61.828 61.300 -0.125 0.000 1.433 1444 I CB 0.615 38.562 38.000 -0.088 0.000 1.354 1444 I HN 0.563 nan 8.210 nan 0.000 0.579 1445 S N 5.058 120.699 115.700 -0.098 0.000 2.558 1445 S HA -0.053 4.417 4.470 -0.000 0.000 0.293 1445 S C 1.138 175.681 174.600 -0.095 0.000 1.292 1445 S CA -0.423 57.723 58.200 -0.091 0.000 1.063 1445 S CB 0.298 63.457 63.200 -0.068 0.000 0.831 1445 S HN 0.515 nan 8.310 nan 0.000 0.499 1446 I N 5.323 125.833 120.570 -0.099 0.000 2.286 1446 I HA -0.082 4.088 4.170 -0.000 0.000 0.248 1446 I C 2.078 178.145 176.117 -0.084 0.000 1.115 1446 I CA 1.719 62.959 61.300 -0.099 0.000 1.392 1446 I CB -0.348 37.593 38.000 -0.099 0.000 1.065 1446 I HN 0.765 nan 8.210 nan 0.000 0.418 1447 K N 0.211 120.566 120.400 -0.074 0.000 2.057 1447 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 1447 K C 1.790 178.353 176.600 -0.062 0.000 1.049 1447 K CA 1.696 57.943 56.287 -0.066 0.000 0.931 1447 K CB -0.302 32.163 32.500 -0.058 0.000 0.714 1447 K HN 0.398 nan 8.250 nan 0.000 0.440 1448 D N 0.093 120.456 120.400 -0.061 0.000 2.149 1448 D HA -0.087 4.553 4.640 -0.000 0.000 0.201 1448 D C 1.852 178.117 176.300 -0.058 0.000 0.972 1448 D CA 1.230 55.197 54.000 -0.055 0.000 0.835 1448 D CB -0.175 40.594 40.800 -0.051 0.000 0.966 1448 D HN 0.144 nan 8.370 nan 0.000 0.476 1449 T N 1.041 115.555 114.554 -0.066 0.000 2.746 1449 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 1449 T C 2.018 176.679 174.700 -0.063 0.000 1.039 1449 T CA 0.852 62.912 62.100 -0.066 0.000 1.142 1449 T CB 0.009 68.831 68.868 -0.078 0.000 0.866 1449 T HN 0.137 nan 8.240 nan 0.000 0.444 1450 R N 0.400 120.858 120.500 -0.071 0.000 2.115 1450 R HA -0.001 4.339 4.340 -0.000 0.000 0.230 1450 R C 2.877 179.140 176.300 -0.060 0.000 1.111 1450 R CA 1.119 57.177 56.100 -0.070 0.000 0.976 1450 R CB -0.627 29.627 30.300 -0.077 0.000 0.870 1450 R HN 0.440 nan 8.270 nan 0.000 0.445 1451 G N 1.310 110.075 108.800 -0.059 0.000 2.421 1451 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 1451 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 1451 G C 1.440 176.303 174.900 -0.062 0.000 1.171 1451 G CA 0.570 45.636 45.100 -0.056 0.000 0.775 1451 G HN 0.161 nan 8.290 nan 0.000 0.543 1452 I N 0.761 121.293 120.570 -0.064 0.000 2.226 1452 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 1452 I C 2.544 178.601 176.117 -0.100 0.000 1.100 1452 I CA 0.548 61.800 61.300 -0.079 0.000 1.374 1452 I CB -0.109 37.850 38.000 -0.069 0.000 1.057 1452 I HN 0.085 nan 8.210 nan 0.000 0.413 1453 I N 0.568 121.098 120.570 -0.066 0.000 2.226 1453 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 1453 I C 2.132 178.211 176.117 -0.064 0.000 1.100 1453 I CA 1.671 62.948 61.300 -0.038 0.000 1.374 1453 I CB -1.358 36.664 38.000 0.037 0.000 1.057 1453 I HN 0.256 nan 8.210 nan 0.000 0.413 1454 D N 1.074 121.439 120.400 -0.060 0.000 2.144 1454 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 1454 D C 2.251 178.502 176.300 -0.081 0.000 0.984 1454 D CA 1.509 55.473 54.000 -0.060 0.000 0.834 1454 D CB -0.035 40.733 40.800 -0.053 0.000 0.955 1454 D HN 0.314 nan 8.370 nan 0.000 0.465 1455 A N 0.290 123.052 122.820 -0.098 0.000 1.969 1455 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 1455 A C 2.316 179.799 177.584 -0.167 0.000 1.169 1455 A CA 0.677 52.648 52.037 -0.110 0.000 0.635 1455 A CB -0.473 18.467 19.000 -0.101 0.000 0.810 1455 A HN 0.193 nan 8.150 nan 0.000 0.445 1456 I N -0.496 119.925 120.570 -0.248 0.000 2.333 1456 I HA -0.153 4.017 4.170 -0.000 0.000 0.246 1456 I C 2.076 178.035 176.117 -0.263 0.000 1.106 1456 I CA 0.793 61.840 61.300 -0.421 0.000 1.411 1456 I CB -0.179 37.430 38.000 -0.651 0.000 1.082 1456 I HN 0.257 nan 8.210 nan 0.000 0.420 1457 L N 0.765 121.887 121.223 -0.168 0.000 2.217 1457 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 1457 L C 1.501 178.326 176.870 -0.075 0.000 1.107 1457 L CA 0.865 55.642 54.840 -0.105 0.000 0.783 1457 L CB -0.625 41.399 42.059 -0.058 0.000 0.919 1457 L HN 0.402 nan 8.230 nan 0.000 0.442 1458 D N -0.873 119.482 120.400 -0.074 0.000 2.363 1458 D HA 0.085 4.725 4.640 -0.000 0.000 0.214 1458 D C 1.418 177.691 176.300 -0.045 0.000 1.093 1458 D CA 0.478 54.447 54.000 -0.051 0.000 0.837 1458 D CB 0.276 41.050 40.800 -0.045 0.000 0.948 1458 D HN 0.180 nan 8.370 nan 0.000 0.507 1459 G N 0.142 108.909 108.800 -0.056 0.000 2.189 1459 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.267 1459 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.267 1459 G C 1.357 176.240 174.900 -0.029 0.000 0.975 1459 G CA 0.695 45.775 45.100 -0.032 0.000 0.644 1459 G HN 0.353 nan 8.290 nan 0.000 0.537 1460 S N -0.366 115.308 115.700 -0.044 0.000 2.370 1460 S HA -0.048 4.421 4.470 -0.000 0.000 0.226 1460 S C 2.129 176.712 174.600 -0.029 0.000 1.033 1460 S CA 1.242 59.421 58.200 -0.035 0.000 1.011 1460 S CB -0.168 63.007 63.200 -0.042 0.000 0.852 1460 S HN 0.622 nan 8.310 nan 0.000 0.457 1461 I N 1.476 122.017 120.570 -0.048 0.000 2.850 1461 I HA -0.182 3.988 4.170 -0.000 0.000 0.266 1461 I C 1.043 177.177 176.117 0.029 0.000 1.257 1461 I CA 1.003 62.287 61.300 -0.026 0.000 1.465 1461 I CB -0.100 37.850 38.000 -0.083 0.000 1.091 1461 I HN 0.123 nan 8.210 nan 0.000 0.467 1462 D N 0.224 120.641 120.400 0.029 0.000 2.149 1462 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 1462 D C 2.001 178.322 176.300 0.034 0.000 0.972 1462 D CA 1.932 55.962 54.000 0.050 0.000 0.835 1462 D CB -0.072 40.753 40.800 0.041 0.000 0.966 1462 D HN 0.442 nan 8.370 nan 0.000 0.476 1463 T N -2.330 112.236 114.554 0.019 0.000 3.054 1463 T HA 0.519 4.869 4.350 -0.000 0.000 0.255 1463 T C 0.797 175.503 174.700 0.011 0.000 1.035 1463 T CA -0.267 61.841 62.100 0.014 0.000 0.941 1463 T CB 0.300 69.173 68.868 0.007 0.000 1.026 1463 T HN 0.072 nan 8.240 nan 0.000 0.533 1464 A N 2.316 125.143 122.820 0.011 0.000 2.425 1464 A HA 0.422 4.742 4.320 -0.000 0.000 0.242 1464 A C 0.399 177.991 177.584 0.013 0.000 1.077 1464 A CA -0.554 51.487 52.037 0.008 0.000 0.781 1464 A CB 0.002 19.004 19.000 0.004 0.000 1.020 1464 A HN 0.434 nan 8.150 nan 0.000 0.494 1465 N N 0.600 119.305 118.700 0.009 0.000 2.479 1465 N HA 0.319 5.059 4.740 -0.000 0.000 0.257 1465 N C 0.314 175.834 175.510 0.016 0.000 1.232 1465 N CA 0.838 53.895 53.050 0.011 0.000 0.920 1465 N CB 0.832 39.323 38.487 0.007 0.000 1.105 1465 N HN 0.829 nan 8.380 nan 0.000 0.444 1466 T N -2.377 112.189 114.554 0.021 0.000 2.901 1466 T HA 0.895 5.245 4.350 -0.000 0.000 0.293 1466 T C -0.583 174.133 174.700 0.027 0.000 1.084 1466 T CA -0.934 61.183 62.100 0.029 0.000 1.008 1466 T CB 2.045 70.937 68.868 0.040 0.000 1.170 1466 T HN 0.528 nan 8.240 nan 0.000 0.509 1467 A N 0.468 123.309 122.820 0.034 0.000 2.564 1467 A HA 0.866 5.186 4.320 -0.000 0.000 0.288 1467 A C -0.550 177.066 177.584 0.054 0.000 1.164 1467 A CA -0.960 51.096 52.037 0.032 0.000 0.712 1467 A CB 1.379 20.390 19.000 0.019 0.000 1.303 1467 A HN 0.901 nan 8.150 nan 0.000 0.418 1468 T N 0.825 115.410 114.554 0.052 0.000 2.829 1468 T HA 0.565 4.915 4.350 -0.000 0.000 0.280 1468 T C -0.865 173.889 174.700 0.091 0.000 0.999 1468 T CA -0.058 62.090 62.100 0.080 0.000 0.983 1468 T CB 0.827 69.728 68.868 0.055 0.000 0.968 1468 T HN 0.359 nan 8.240 nan 0.000 0.446 1469 I N 5.054 125.724 120.570 0.167 0.000 2.321 1469 I HA 0.366 4.536 4.170 -0.000 0.000 0.291 1469 I C -2.120 174.160 176.117 0.271 0.000 0.998 1469 I CA -2.588 58.841 61.300 0.215 0.000 1.227 1469 I CB 0.988 39.195 38.000 0.346 0.000 1.368 1469 I HN 0.371 nan 8.210 nan 0.000 0.466 1470 P HA 0.042 nan 4.420 nan 0.000 0.270 1470 P C -0.160 177.311 177.300 0.285 0.000 1.221 1470 P CA 0.491 63.691 63.100 0.166 0.000 0.788 1470 P CB 0.212 32.002 31.700 0.151 0.000 0.904 1471 Y N -2.641 117.625 120.300 -0.057 0.000 2.818 1471 Y HA -0.349 4.201 4.550 -0.000 0.000 0.487 1471 Y C 1.629 177.171 175.900 -0.597 0.000 1.146 1471 Y CA 1.768 59.651 58.100 -0.362 0.000 2.839 1471 Y CB -2.415 35.723 38.460 -0.537 0.000 0.893 1471 Y HN 0.286 nan 8.280 nan 0.000 0.545 1472 F N -0.520 119.345 119.950 -0.142 0.000 2.714 1472 F HA 0.238 4.765 4.527 -0.000 0.000 0.294 1472 F C 1.280 176.773 175.800 -0.511 0.000 1.120 1472 F CA 0.654 58.330 58.000 -0.541 0.000 1.398 1472 F CB 0.090 38.324 39.000 -1.277 0.000 1.120 1472 F HN 0.172 nan 8.300 nan 0.000 0.589 1473 N N 0.583 119.218 118.700 -0.109 0.000 2.756 1473 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 1473 N C -0.705 174.838 175.510 0.056 0.000 1.062 1473 N CA 0.124 53.155 53.050 -0.032 0.000 0.696 1473 N CB -1.819 36.629 38.487 -0.066 0.000 0.946 1473 N HN 0.256 nan 8.380 nan 0.000 0.548 1474 F N 0.305 120.365 119.950 0.183 0.000 2.427 1474 F HA 0.210 4.737 4.527 -0.000 0.000 0.352 1474 F C 1.278 177.128 175.800 0.083 0.000 1.100 1474 F CA -0.462 57.611 58.000 0.122 0.000 1.191 1474 F CB 0.975 40.041 39.000 0.110 0.000 1.128 1474 F HN -0.029 nan 8.300 nan 0.000 0.533 1475 T N 4.479 119.204 114.554 0.285 0.000 2.728 1475 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 1475 T C -0.333 174.444 174.700 0.128 0.000 0.940 1475 T CA -0.529 61.667 62.100 0.161 0.000 1.013 1475 T CB 0.626 69.564 68.868 0.117 0.000 0.912 1475 T HN 0.434 nan 8.240 nan 0.000 0.484 1476 V N 2.370 122.344 119.914 0.100 0.000 2.914 1476 V HA 0.846 4.966 4.120 -0.000 0.000 0.314 1476 V C -2.835 173.286 176.094 0.045 0.000 1.084 1476 V CA -3.153 59.185 62.300 0.063 0.000 0.963 1476 V CB 2.162 34.015 31.823 0.050 0.000 1.025 1476 V HN 0.499 nan 8.190 nan 0.000 0.432 1477 P HA 0.229 nan 4.420 nan 0.000 0.278 1477 P C 0.550 177.856 177.300 0.010 0.000 1.238 1477 P CA 0.222 63.333 63.100 0.020 0.000 0.794 1477 P CB 1.435 33.141 31.700 0.010 0.000 0.955 1478 T N -1.599 112.959 114.554 0.007 0.000 3.081 1478 T HA 0.093 4.443 4.350 -0.000 0.000 0.255 1478 T C 0.402 175.099 174.700 -0.005 0.000 1.113 1478 T CA 0.147 62.248 62.100 0.001 0.000 1.082 1478 T CB -0.254 68.615 68.868 0.002 0.000 0.939 1478 T HN 0.673 nan 8.240 nan 0.000 0.506 1479 E N 0.078 120.275 120.200 -0.006 0.000 2.401 1479 E HA 0.571 4.921 4.350 -0.000 0.000 0.283 1479 E C -2.035 174.556 176.600 -0.014 0.000 1.053 1479 E CA -1.132 55.262 56.400 -0.010 0.000 0.842 1479 E CB 0.864 30.559 29.700 -0.009 0.000 1.222 1479 E HN 0.198 nan 8.360 nan 0.000 0.429 1480 L N 1.283 122.495 121.223 -0.019 0.000 2.466 1480 L HA 0.488 4.828 4.340 -0.000 0.000 0.258 1480 L C -0.559 176.296 176.870 -0.026 0.000 0.973 1480 L CA -1.234 53.592 54.840 -0.025 0.000 0.826 1480 L CB 2.470 44.510 42.059 -0.032 0.000 1.372 1480 L HN 0.488 nan 8.230 nan 0.000 0.409 1481 K N 0.969 121.352 120.400 -0.027 0.000 2.448 1481 K HA 0.276 4.596 4.320 -0.000 0.000 0.278 1481 K C 0.916 177.497 176.600 -0.032 0.000 1.009 1481 K CA 0.721 56.992 56.287 -0.027 0.000 0.995 1481 K CB 0.413 32.897 32.500 -0.027 0.000 0.917 1481 K HN 0.900 nan 8.250 nan 0.000 0.481 1482 G N 0.820 109.602 108.800 -0.031 0.000 2.249 1482 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 1482 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 1482 G C -0.317 174.561 174.900 -0.037 0.000 1.036 1482 G CA 0.057 45.136 45.100 -0.034 0.000 0.824 1482 G HN 0.374 nan 8.290 nan 0.000 0.504 1483 V N -0.489 119.405 119.914 -0.034 0.000 2.777 1483 V HA 0.390 4.510 4.120 -0.000 0.000 0.306 1483 V C -0.141 175.936 176.094 -0.029 0.000 1.112 1483 V CA -1.028 61.251 62.300 -0.035 0.000 0.917 1483 V CB 2.012 33.813 31.823 -0.037 0.000 1.018 1483 V HN 0.346 nan 8.190 nan 0.000 0.426 1484 D N 2.759 123.141 120.400 -0.030 0.000 2.487 1484 D HA 0.092 4.732 4.640 -0.000 0.000 0.243 1484 D C 1.293 177.580 176.300 -0.022 0.000 1.154 1484 D CA 0.798 54.782 54.000 -0.026 0.000 0.876 1484 D CB 1.540 42.324 40.800 -0.027 0.000 1.161 1484 D HN 0.647 nan 8.370 nan 0.000 0.478 1485 T N 3.556 118.098 114.554 -0.019 0.000 2.770 1485 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 1485 T C 1.764 176.455 174.700 -0.016 0.000 1.039 1485 T CA 0.935 63.025 62.100 -0.017 0.000 1.142 1485 T CB -0.146 68.714 68.868 -0.014 0.000 0.868 1485 T HN 0.464 nan 8.240 nan 0.000 0.435 1486 K N 1.220 121.612 120.400 -0.014 0.000 2.127 1486 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 1486 K C 2.266 178.858 176.600 -0.014 0.000 1.047 1486 K CA 1.629 57.908 56.287 -0.013 0.000 0.927 1486 K CB -0.431 32.062 32.500 -0.011 0.000 0.716 1486 K HN 0.588 nan 8.250 nan 0.000 0.450 1487 I N -1.685 118.876 120.570 -0.014 0.000 2.676 1487 I HA -0.158 4.012 4.170 -0.000 0.000 0.259 1487 I C 1.728 177.840 176.117 -0.007 0.000 1.194 1487 I CA 0.735 62.029 61.300 -0.010 0.000 1.473 1487 I CB -0.410 37.582 38.000 -0.014 0.000 1.096 1487 I HN 0.037 nan 8.210 nan 0.000 0.443 1488 L N 1.030 122.245 121.223 -0.013 0.000 2.129 1488 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 1488 L C 0.865 177.726 176.870 -0.015 0.000 1.087 1488 L CA 1.217 56.050 54.840 -0.013 0.000 0.757 1488 L CB -0.749 41.302 42.059 -0.013 0.000 0.896 1488 L HN 0.387 nan 8.230 nan 0.000 0.434 1489 D N 0.029 120.411 120.400 -0.030 0.000 2.349 1489 D HA 0.131 4.771 4.640 -0.000 0.000 0.232 1489 D C -1.563 174.683 176.300 -0.090 0.000 1.071 1489 D CA -2.500 51.457 54.000 -0.072 0.000 0.832 1489 D CB 1.646 42.393 40.800 -0.088 0.000 1.086 1489 D HN -0.131 nan 8.370 nan 0.000 0.504 1490 P HA -0.158 nan 4.420 nan 0.000 0.220 1490 P C 0.990 178.237 177.300 -0.089 0.000 1.144 1490 P CA 0.806 63.891 63.100 -0.025 0.000 0.800 1490 P CB 0.514 32.300 31.700 0.143 0.000 0.772 1491 R N -0.166 120.105 120.500 -0.382 0.000 2.119 1491 R HA 0.017 4.357 4.340 -0.000 0.000 0.222 1491 R C 2.280 178.640 176.300 0.101 0.000 1.088 1491 R CA 1.126 57.123 56.100 -0.171 0.000 0.984 1491 R CB -0.643 29.459 30.300 -0.330 0.000 0.884 1491 R HN 0.348 nan 8.270 nan 0.000 0.447 1492 N N -0.135 118.578 118.700 0.022 0.000 2.289 1492 N HA -0.129 4.611 4.740 -0.000 0.000 0.184 1492 N C 1.014 176.553 175.510 0.047 0.000 1.016 1492 N CA 1.531 54.603 53.050 0.036 0.000 0.872 1492 N CB -0.004 38.484 38.487 0.001 0.000 0.973 1492 N HN 0.282 nan 8.380 nan 0.000 0.433 1493 T N -2.496 112.076 114.554 0.030 0.000 3.169 1493 T HA 0.052 4.402 4.350 -0.000 0.000 0.250 1493 T C -0.138 174.449 174.700 -0.187 0.000 1.111 1493 T CA 0.109 62.158 62.100 -0.084 0.000 1.010 1493 T CB -0.298 68.482 68.868 -0.147 0.000 0.984 1493 T HN 0.050 nan 8.240 nan 0.000 0.537 1494 Y N 0.199 120.550 120.300 0.086 0.000 2.409 1494 Y HA 0.683 5.233 4.550 -0.000 0.000 0.339 1494 Y C 1.549 177.496 175.900 0.080 0.000 1.033 1494 Y CA -1.021 57.143 58.100 0.107 0.000 1.094 1494 Y CB 1.391 39.947 38.460 0.160 0.000 1.210 1494 Y HN 0.043 nan 8.280 nan 0.000 0.456 1495 A N 1.427 124.384 122.820 0.228 0.000 1.873 1495 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 1495 A C 0.340 178.012 177.584 0.147 0.000 1.193 1495 A CA 1.733 53.858 52.037 0.146 0.000 0.629 1495 A CB -0.282 18.791 19.000 0.122 0.000 0.826 1495 A HN 0.723 nan 8.150 nan 0.000 0.447 1496 D N -2.158 118.346 120.400 0.173 0.000 2.362 1496 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 1496 D C 0.849 177.241 176.300 0.154 0.000 1.050 1496 D CA 0.398 54.478 54.000 0.134 0.000 0.839 1496 D CB 1.864 42.725 40.800 0.101 0.000 1.283 1496 D HN 0.154 nan 8.370 nan 0.000 0.477 1497 A N 1.865 124.764 122.820 0.132 0.000 1.978 1497 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 1497 A C 2.043 179.725 177.584 0.164 0.000 1.170 1497 A CA 2.107 54.231 52.037 0.146 0.000 0.636 1497 A CB -0.443 18.624 19.000 0.112 0.000 0.810 1497 A HN 0.586 nan 8.150 nan 0.000 0.448 1498 S N 0.305 116.074 115.700 0.116 0.000 2.400 1498 S HA -0.242 4.228 4.470 -0.000 0.000 0.232 1498 S C 1.558 176.170 174.600 0.019 0.000 1.025 1498 S CA 1.430 59.680 58.200 0.083 0.000 0.993 1498 S CB -0.576 62.661 63.200 0.060 0.000 0.808 1498 S HN 0.735 nan 8.310 nan 0.000 0.478 1499 E N 0.198 120.394 120.200 -0.006 0.000 2.077 1499 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1499 E C 1.707 178.107 176.600 -0.332 0.000 0.989 1499 E CA 1.345 57.678 56.400 -0.112 0.000 0.800 1499 E CB -0.301 29.395 29.700 -0.007 0.000 0.746 1499 E HN 0.829 nan 8.360 nan 0.000 0.452 1500 W N 2.291 123.208 121.300 -0.639 0.000 2.409 1500 W HA -0.109 4.551 4.660 -0.000 0.000 0.299 1500 W C 1.788 178.150 176.519 -0.261 0.000 1.203 1500 W CA 1.414 58.392 57.345 -0.612 0.000 1.298 1500 W CB 0.121 29.326 29.460 -0.425 0.000 1.127 1500 W HN -0.039 nan 8.180 nan 0.000 0.528 1501 E N 0.156 120.390 120.200 0.056 0.000 2.070 1501 E HA -0.308 4.042 4.350 -0.000 0.000 0.197 1501 E C 2.150 178.489 176.600 -0.435 0.000 1.004 1501 E CA 2.620 58.960 56.400 -0.099 0.000 0.805 1501 E CB -0.818 28.993 29.700 0.185 0.000 0.744 1501 E HN 0.383 nan 8.360 nan 0.000 0.451 1502 V N -0.077 119.662 119.914 -0.292 0.000 2.343 1502 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 1502 V C 1.980 177.831 176.094 -0.405 0.000 1.051 1502 V CA 1.705 63.828 62.300 -0.295 0.000 1.036 1502 V CB -0.557 31.160 31.823 -0.177 0.000 0.654 1502 V HN 0.091 nan 8.190 nan 0.000 0.451 1503 K N 1.137 121.269 120.400 -0.447 0.000 2.103 1503 K HA 0.095 4.415 4.320 -0.000 0.000 0.204 1503 K C 2.488 178.747 176.600 -0.568 0.000 1.052 1503 K CA 1.339 57.349 56.287 -0.462 0.000 0.945 1503 K CB -0.502 31.784 32.500 -0.356 0.000 0.722 1503 K HN 0.553 nan 8.250 nan 0.000 0.443 1504 A N 2.245 124.545 122.820 -0.867 0.000 1.865 1504 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 1504 A C 2.114 179.171 177.584 -0.880 0.000 1.191 1504 A CA 1.862 53.352 52.037 -0.911 0.000 0.623 1504 A CB -0.447 17.517 19.000 -1.727 0.000 0.826 1504 A HN 0.237 nan 8.150 nan 0.000 0.444 1505 K N -0.694 118.989 120.400 -1.195 0.000 2.057 1505 K HA -0.241 4.079 4.320 -0.000 0.000 0.207 1505 K C 1.844 178.174 176.600 -0.450 0.000 1.049 1505 K CA 1.817 57.551 56.287 -0.921 0.000 0.931 1505 K CB -0.237 31.849 32.500 -0.691 0.000 0.714 1505 K HN 0.423 nan 8.250 nan 0.000 0.440 1506 D N 0.593 120.757 120.400 -0.394 0.000 2.097 1506 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 1506 D C 1.909 178.088 176.300 -0.202 0.000 0.989 1506 D CA 0.980 54.817 54.000 -0.272 0.000 0.827 1506 D CB -0.129 40.488 40.800 -0.306 0.000 0.966 1506 D HN 0.213 nan 8.370 nan 0.000 0.456 1507 L N 0.511 121.608 121.223 -0.211 0.000 2.093 1507 L HA 0.058 4.398 4.340 -0.000 0.000 0.208 1507 L C 2.192 179.230 176.870 0.279 0.000 1.085 1507 L CA 2.042 56.888 54.840 0.010 0.000 0.755 1507 L CB -1.011 41.098 42.059 0.083 0.000 0.904 1507 L HN 0.056 nan 8.230 nan 0.000 0.435 1508 A N -0.505 122.323 122.820 0.014 0.000 1.902 1508 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 1508 A C 2.120 179.728 177.584 0.039 0.000 1.181 1508 A CA 1.832 53.770 52.037 -0.166 0.000 0.623 1508 A CB -0.620 17.968 19.000 -0.686 0.000 0.818 1508 A HN 0.637 nan 8.150 nan 0.000 0.443 1509 E N -0.393 119.794 120.200 -0.021 0.000 2.150 1509 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 1509 E C 2.204 178.848 176.600 0.073 0.000 0.985 1509 E CA 0.929 57.333 56.400 0.007 0.000 0.814 1509 E CB -0.204 29.472 29.700 -0.040 0.000 0.752 1509 E HN 0.554 nan 8.360 nan 0.000 0.466 1510 R N -0.021 120.555 120.500 0.126 0.000 2.115 1510 R HA -0.076 4.264 4.340 -0.000 0.000 0.230 1510 R C 2.028 178.383 176.300 0.092 0.000 1.111 1510 R CA 0.935 57.123 56.100 0.147 0.000 0.976 1510 R CB -0.242 30.209 30.300 0.251 0.000 0.870 1510 R HN 0.151 nan 8.270 nan 0.000 0.445 1511 F N 1.645 121.683 119.950 0.147 0.000 2.146 1511 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 1511 F C 2.575 178.410 175.800 0.058 0.000 1.096 1511 F CA 1.513 59.588 58.000 0.125 0.000 1.275 1511 F CB -0.140 39.079 39.000 0.365 0.000 1.008 1511 F HN -0.003 nan 8.300 nan 0.000 0.480 1512 Q N 0.055 120.010 119.800 0.258 0.000 2.084 1512 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 1512 Q C 1.977 178.030 176.000 0.089 0.000 0.978 1512 Q CA 1.538 57.437 55.803 0.160 0.000 0.844 1512 Q CB -0.249 28.532 28.738 0.071 0.000 0.898 1512 Q HN 0.408 nan 8.270 nan 0.000 0.426 1513 K N 0.414 120.820 120.400 0.010 0.000 2.228 1513 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 1513 K C 1.803 178.317 176.600 -0.143 0.000 1.051 1513 K CA 0.686 56.944 56.287 -0.048 0.000 0.960 1513 K CB -0.036 32.433 32.500 -0.051 0.000 0.743 1513 K HN 0.194 nan 8.250 nan 0.000 0.458 1514 N N 0.708 119.249 118.700 -0.265 0.000 2.250 1514 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 1514 N C 1.492 176.783 175.510 -0.365 0.000 1.017 1514 N CA 0.714 53.465 53.050 -0.499 0.000 0.866 1514 N CB 0.014 37.807 38.487 -1.157 0.000 0.985 1514 N HN 0.081 nan 8.380 nan 0.000 0.429 1515 F N 2.009 121.805 119.950 -0.256 0.000 2.546 1515 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 1515 F C 2.000 177.812 175.800 0.021 0.000 1.120 1515 F CA 0.751 58.743 58.000 -0.014 0.000 1.456 1515 F CB 0.153 39.165 39.000 0.020 0.000 1.088 1515 F HN -0.044 nan 8.300 nan 0.000 0.572 1516 K N 0.067 120.461 120.400 -0.010 0.000 2.362 1516 K HA -0.135 4.185 4.320 -0.000 0.000 0.200 1516 K C 1.609 178.066 176.600 -0.238 0.000 1.046 1516 K CA 0.805 57.060 56.287 -0.054 0.000 0.952 1516 K CB -0.068 32.400 32.500 -0.055 0.000 0.753 1516 K HN 0.278 nan 8.250 nan 0.000 0.466 1517 K N -0.022 120.056 120.400 -0.537 0.000 2.515 1517 K HA -0.033 4.287 4.320 -0.000 0.000 0.196 1517 K C 0.149 176.302 176.600 -0.745 0.000 1.038 1517 K CA 0.604 56.431 56.287 -0.767 0.000 0.967 1517 K CB 0.047 31.701 32.500 -1.410 0.000 0.780 1517 K HN -0.034 nan 8.250 nan 0.000 0.483 1518 F N 0.000 119.760 119.950 -0.316 0.000 2.286 1518 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 1518 F CA 0.000 57.841 58.000 -0.265 0.000 1.383 1518 F CB 0.000 38.634 39.000 -0.610 0.000 1.145 1518 F HN 0.000 nan 8.300 nan 0.000 0.574