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 2dc0_1_B DATA FIRST_RESID 1001 DATA SEQUENCE MDLLEAKRLL ETGRTTPLAL LEEALERAKA FQDRNALAYL DEEAARKEAL DATA SEQUENCE ALTEELRRGQ VRGPLHGLPL TVKDLFPVKG MPTRAGTKAP LPPLPEEARA DATA SEQUENCE VRRLREAGAL LFAKTNXHEI ALGITGENPW TGPVRNAVDP SRQAGGSSGG DATA SEQUENCE SAVAVALGIG LASLGTDTGG SIRIPAGFNG VVGFKPSYGR VSLEGALPLS DATA SEQUENCE RSTDHAGPLT RSVRDAHFLT EILAGESIPL EGVQNPVFGV PLDFLEGRLG DATA SEQUENCE VEVRKAFTRL LEDLPALRAE VREVSLPLEG VYEVYTRLVR YEAARIHEKA DATA SEQUENCE LKEHPEGFSP QVREALLAGL ALTEKDYRDA VAEREALRLE LVKALRGVDA DATA SEQUENCE LLLPVQPLPA PPLGTEEVEL ESGRKGHREA FITLTLPFSL LGVPTLALPF DATA SEQUENCE AKVEGXPVGL QVVGAYGEDG KVLALGGWLE ARLG 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.316 176.300 0.026 0.000 1.140 1001 M CA 0.000 55.311 55.300 0.019 0.000 0.988 1001 M CB 0.000 32.609 32.600 0.015 0.000 1.302 1002 D N 0.956 121.370 120.400 0.024 0.000 2.592 1002 D HA 0.547 5.187 4.640 -0.000 0.000 0.259 1002 D C 0.574 176.897 176.300 0.038 0.000 1.144 1002 D CA -0.710 53.311 54.000 0.036 0.000 1.080 1002 D CB 0.686 41.506 40.800 0.034 0.000 1.225 1002 D HN 0.763 nan 8.370 nan 0.000 0.619 1003 L N -0.796 120.464 121.223 0.062 0.000 1.970 1003 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 1003 L C 2.460 179.336 176.870 0.011 0.000 1.071 1003 L CA 1.199 56.088 54.840 0.082 0.000 0.751 1003 L CB -0.512 41.654 42.059 0.177 0.000 0.889 1003 L HN 0.355 nan 8.230 nan 0.000 0.432 1004 L N -0.723 120.459 121.223 -0.068 0.000 2.131 1004 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 1004 L C 2.513 179.326 176.870 -0.095 0.000 1.092 1004 L CA 1.098 55.830 54.840 -0.179 0.000 0.759 1004 L CB -0.429 41.492 42.059 -0.230 0.000 0.903 1004 L HN 0.356 nan 8.230 nan 0.000 0.435 1005 E N 0.236 120.409 120.200 -0.046 0.000 2.047 1005 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 1005 E C 2.271 178.862 176.600 -0.015 0.000 0.987 1005 E CA 1.091 57.475 56.400 -0.027 0.000 0.799 1005 E CB 0.007 29.700 29.700 -0.011 0.000 0.752 1005 E HN 0.446 nan 8.360 nan 0.000 0.449 1006 A N 1.184 124.004 122.820 0.000 0.000 1.969 1006 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 1006 A C 2.037 179.630 177.584 0.014 0.000 1.169 1006 A CA 1.496 53.541 52.037 0.013 0.000 0.635 1006 A CB -0.376 18.642 19.000 0.030 0.000 0.810 1006 A HN 0.128 nan 8.150 nan 0.000 0.445 1007 K N -0.342 120.061 120.400 0.004 0.000 2.057 1007 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 1007 K C 2.326 178.919 176.600 -0.011 0.000 1.049 1007 K CA 1.483 57.773 56.287 0.006 0.000 0.931 1007 K CB -0.187 32.294 32.500 -0.031 0.000 0.714 1007 K HN 0.451 nan 8.250 nan 0.000 0.440 1008 R N 0.649 121.131 120.500 -0.030 0.000 2.092 1008 R HA -0.065 4.275 4.340 -0.000 0.000 0.231 1008 R C 2.250 178.542 176.300 -0.013 0.000 1.119 1008 R CA 1.043 57.127 56.100 -0.027 0.000 0.970 1008 R CB -0.157 30.122 30.300 -0.035 0.000 0.864 1008 R HN 0.212 nan 8.270 nan 0.000 0.440 1009 L N 0.587 121.805 121.223 -0.007 0.000 2.141 1009 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 1009 L C 2.330 179.202 176.870 0.002 0.000 1.094 1009 L CA 0.980 55.819 54.840 -0.002 0.000 0.763 1009 L CB -0.305 41.754 42.059 0.001 0.000 0.908 1009 L HN 0.272 nan 8.230 nan 0.000 0.437 1010 L N -0.604 120.625 121.223 0.009 0.000 2.109 1010 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 1010 L C 2.407 179.278 176.870 0.002 0.000 1.086 1010 L CA 1.173 56.022 54.840 0.015 0.000 0.760 1010 L CB -0.366 41.715 42.059 0.037 0.000 0.910 1010 L HN 0.257 nan 8.230 nan 0.000 0.437 1011 E N -0.504 119.694 120.200 -0.003 0.000 2.204 1011 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 1011 E C 1.839 178.432 176.600 -0.012 0.000 0.989 1011 E CA 1.652 58.045 56.400 -0.011 0.000 0.824 1011 E CB 0.089 29.781 29.700 -0.013 0.000 0.756 1011 E HN 0.526 nan 8.360 nan 0.000 0.477 1012 T N -3.610 110.939 114.554 -0.009 0.000 3.086 1012 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 1012 T C 1.421 176.117 174.700 -0.006 0.000 1.074 1012 T CA 0.270 62.365 62.100 -0.008 0.000 0.988 1012 T CB 0.685 69.548 68.868 -0.008 0.000 0.988 1012 T HN 0.206 nan 8.240 nan 0.000 0.530 1013 G N 2.175 110.972 108.800 -0.005 0.000 2.160 1013 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.251 1013 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.251 1013 G C 0.814 175.713 174.900 -0.001 0.000 1.008 1013 G CA 0.259 45.358 45.100 -0.003 0.000 0.724 1013 G HN 0.577 nan 8.290 nan 0.000 0.514 1014 R N -0.717 119.783 120.500 -0.001 0.000 2.297 1014 R HA 0.296 4.636 4.340 -0.000 0.000 0.197 1014 R C 1.116 177.417 176.300 0.001 0.000 0.943 1014 R CA 1.104 57.203 56.100 -0.001 0.000 1.038 1014 R CB 0.417 30.716 30.300 -0.002 0.000 0.957 1014 R HN 0.367 nan 8.270 nan 0.000 0.484 1015 T N -0.642 113.914 114.554 0.004 0.000 2.739 1015 T HA 0.304 4.654 4.350 -0.000 0.000 0.303 1015 T C -1.420 173.286 174.700 0.011 0.000 1.389 1015 T CA -0.584 61.519 62.100 0.005 0.000 1.001 1015 T CB 1.936 70.808 68.868 0.006 0.000 1.436 1015 T HN 0.146 nan 8.240 nan 0.000 0.500 1016 T N -0.091 114.470 114.554 0.012 0.000 2.896 1016 T HA 0.624 4.974 4.350 -0.000 0.000 0.297 1016 T C -2.389 172.324 174.700 0.022 0.000 1.108 1016 T CA -1.630 60.483 62.100 0.021 0.000 1.004 1016 T CB 1.532 70.410 68.868 0.017 0.000 1.159 1016 T HN 0.279 nan 8.240 nan 0.000 0.499 1017 P HA -0.067 nan 4.420 nan 0.000 0.216 1017 P C 1.671 178.966 177.300 -0.007 0.000 1.153 1017 P CA 0.423 63.539 63.100 0.028 0.000 0.858 1017 P CB 0.018 31.749 31.700 0.052 0.000 0.789 1018 L N -0.363 120.857 121.223 -0.004 0.000 2.046 1018 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 1018 L C 2.207 179.056 176.870 -0.034 0.000 1.077 1018 L CA 2.097 56.925 54.840 -0.021 0.000 0.747 1018 L CB -1.567 40.486 42.059 -0.010 0.000 0.896 1018 L HN -0.121 nan 8.230 nan 0.000 0.432 1019 A N -0.545 122.262 122.820 -0.022 0.000 1.902 1019 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 1019 A C 2.268 179.829 177.584 -0.038 0.000 1.181 1019 A CA 1.948 53.971 52.037 -0.025 0.000 0.623 1019 A CB -0.902 18.091 19.000 -0.012 0.000 0.818 1019 A HN 0.506 nan 8.150 nan 0.000 0.443 1020 L N -1.113 120.088 121.223 -0.037 0.000 2.083 1020 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 1020 L C 2.564 179.367 176.870 -0.112 0.000 1.083 1020 L CA 1.179 55.989 54.840 -0.050 0.000 0.752 1020 L CB -0.519 41.525 42.059 -0.026 0.000 0.899 1020 L HN 0.480 nan 8.230 nan 0.000 0.433 1021 L N -0.328 120.811 121.223 -0.141 0.000 2.056 1021 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 1021 L C 2.558 179.297 176.870 -0.218 0.000 1.078 1021 L CA 1.735 56.423 54.840 -0.253 0.000 0.749 1021 L CB -0.584 41.353 42.059 -0.204 0.000 0.901 1021 L HN 0.135 nan 8.230 nan 0.000 0.433 1022 E N -0.147 119.979 120.200 -0.124 0.000 2.085 1022 E HA -0.267 4.083 4.350 -0.000 0.000 0.194 1022 E C 2.113 178.667 176.600 -0.076 0.000 0.994 1022 E CA 1.306 57.654 56.400 -0.087 0.000 0.801 1022 E CB -0.175 29.493 29.700 -0.053 0.000 0.743 1022 E HN 0.559 nan 8.360 nan 0.000 0.453 1023 E N 0.860 121.018 120.200 -0.069 0.000 2.106 1023 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 1023 E C 1.844 178.419 176.600 -0.041 0.000 0.984 1023 E CA 1.327 57.704 56.400 -0.039 0.000 0.806 1023 E CB -0.276 29.411 29.700 -0.023 0.000 0.750 1023 E HN 0.174 nan 8.360 nan 0.000 0.458 1024 A N 0.497 123.251 122.820 -0.110 0.000 1.877 1024 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 1024 A C 2.329 179.867 177.584 -0.077 0.000 1.186 1024 A CA 1.404 53.366 52.037 -0.125 0.000 0.620 1024 A CB -0.747 18.015 19.000 -0.397 0.000 0.822 1024 A HN 0.338 nan 8.150 nan 0.000 0.443 1025 L N -0.835 120.306 121.223 -0.137 0.000 2.131 1025 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 1025 L C 2.626 179.495 176.870 -0.002 0.000 1.092 1025 L CA 1.685 56.494 54.840 -0.052 0.000 0.759 1025 L CB -0.463 41.550 42.059 -0.076 0.000 0.903 1025 L HN 0.610 nan 8.230 nan 0.000 0.435 1026 E N 0.126 120.320 120.200 -0.010 0.000 2.072 1026 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 1026 E C 2.363 178.982 176.600 0.031 0.000 0.985 1026 E CA 0.780 57.181 56.400 0.000 0.000 0.801 1026 E CB 0.218 29.915 29.700 -0.006 0.000 0.750 1026 E HN 0.285 nan 8.360 nan 0.000 0.452 1027 R N 0.131 120.681 120.500 0.084 0.000 2.092 1027 R HA -0.041 4.299 4.340 -0.000 0.000 0.231 1027 R C 2.242 178.690 176.300 0.247 0.000 1.119 1027 R CA 1.061 57.283 56.100 0.204 0.000 0.970 1027 R CB -0.808 29.636 30.300 0.239 0.000 0.864 1027 R HN 0.227 nan 8.270 nan 0.000 0.440 1028 A N 1.430 124.355 122.820 0.175 0.000 1.933 1028 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 1028 A C 2.222 179.876 177.584 0.118 0.000 1.175 1028 A CA 1.725 53.867 52.037 0.174 0.000 0.628 1028 A CB -0.315 18.785 19.000 0.167 0.000 0.814 1028 A HN 0.267 nan 8.150 nan 0.000 0.444 1029 K N -0.519 119.916 120.400 0.059 0.000 2.062 1029 K HA 0.077 4.397 4.320 -0.000 0.000 0.205 1029 K C 2.054 178.631 176.600 -0.038 0.000 1.051 1029 K CA 1.006 57.300 56.287 0.012 0.000 0.941 1029 K CB -0.282 32.214 32.500 -0.007 0.000 0.719 1029 K HN 0.334 nan 8.250 nan 0.000 0.440 1030 A N -0.031 122.728 122.820 -0.102 0.000 2.015 1030 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 1030 A C 0.910 178.204 177.584 -0.484 0.000 1.163 1030 A CA 0.910 52.759 52.037 -0.313 0.000 0.646 1030 A CB -0.246 18.489 19.000 -0.442 0.000 0.806 1030 A HN 0.325 nan 8.150 nan 0.000 0.448 1031 F N -0.049 119.916 119.950 0.025 0.000 2.850 1031 F HA 0.235 4.762 4.527 0.000 0.000 0.306 1031 F C 1.608 177.426 175.800 0.029 0.000 1.162 1031 F CA -0.465 57.551 58.000 0.028 0.000 1.327 1031 F CB 0.004 39.025 39.000 0.035 0.000 0.953 1031 F HN 0.231 nan 8.300 nan 0.000 0.507 1032 Q N 0.022 119.890 119.800 0.113 0.000 2.226 1032 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 1032 Q C 1.350 177.403 176.000 0.087 0.000 0.975 1032 Q CA 1.295 57.151 55.803 0.089 0.000 0.866 1032 Q CB -0.036 28.728 28.738 0.043 0.000 0.915 1032 Q HN 0.413 nan 8.270 nan 0.000 0.440 1033 D N 0.153 120.606 120.400 0.089 0.000 2.309 1033 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 1033 D C 1.583 177.941 176.300 0.097 0.000 0.968 1033 D CA 0.619 54.667 54.000 0.080 0.000 0.882 1033 D CB 0.191 41.034 40.800 0.072 0.000 0.918 1033 D HN 0.161 nan 8.370 nan 0.000 0.503 1034 R N 0.733 121.313 120.500 0.133 0.000 2.193 1034 R HA -0.043 4.297 4.340 -0.000 0.000 0.213 1034 R C 0.684 177.032 176.300 0.080 0.000 1.055 1034 R CA 0.028 56.193 56.100 0.108 0.000 0.995 1034 R CB -0.882 29.488 30.300 0.116 0.000 0.893 1034 R HN 0.076 nan 8.270 nan 0.000 0.459 1035 N N -0.067 118.682 118.700 0.081 0.000 2.740 1035 N HA -0.219 4.521 4.740 -0.000 0.000 0.248 1035 N C 0.378 175.924 175.510 0.060 0.000 1.062 1035 N CA 0.711 53.800 53.050 0.064 0.000 0.704 1035 N CB -0.903 37.615 38.487 0.052 0.000 0.968 1035 N HN 0.352 nan 8.380 nan 0.000 0.547 1036 A N -0.684 122.176 122.820 0.066 0.000 2.072 1036 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 1036 A C 0.861 178.474 177.584 0.049 0.000 1.156 1036 A CA 0.489 52.559 52.037 0.055 0.000 0.701 1036 A CB 0.246 19.278 19.000 0.054 0.000 0.816 1036 A HN 0.342 nan 8.150 nan 0.000 0.458 1037 L N -0.816 120.439 121.223 0.053 0.000 2.295 1037 L HA 0.495 4.835 4.340 -0.000 0.000 0.285 1037 L C 1.269 178.170 176.870 0.052 0.000 1.035 1037 L CA -0.343 54.522 54.840 0.042 0.000 0.806 1037 L CB 1.660 43.741 42.059 0.037 0.000 1.214 1037 L HN 0.199 nan 8.230 nan 0.000 0.426 1038 A N 3.576 126.436 122.820 0.067 0.000 1.984 1038 A HA 0.024 4.345 4.320 -0.000 0.000 0.214 1038 A C 0.119 177.801 177.584 0.163 0.000 1.173 1038 A CA 0.874 52.968 52.037 0.096 0.000 0.673 1038 A CB 0.230 19.284 19.000 0.090 0.000 0.830 1038 A HN 0.634 nan 8.150 nan 0.000 0.453 1039 Y N -1.578 118.722 120.300 -0.001 0.000 2.442 1039 Y HA 0.542 5.092 4.550 -0.000 0.000 0.330 1039 Y C -1.859 174.042 175.900 0.003 0.000 1.100 1039 Y CA -1.546 56.555 58.100 0.002 0.000 1.034 1039 Y CB 1.833 40.290 38.460 -0.005 0.000 1.285 1039 Y HN 0.136 nan 8.280 nan 0.000 0.440 1040 L N 6.731 127.571 121.223 -0.638 0.000 2.541 1040 L HA 0.471 4.811 4.340 -0.000 0.000 0.266 1040 L C -1.985 174.592 176.870 -0.488 0.000 0.966 1040 L CA -0.292 54.316 54.840 -0.388 0.000 0.871 1040 L CB 1.673 43.665 42.059 -0.112 0.000 1.232 1040 L HN 0.705 nan 8.230 nan 0.000 0.408 1041 D N 3.687 123.884 120.400 -0.338 0.000 2.477 1041 D HA 0.217 4.857 4.640 -0.000 0.000 0.239 1041 D C 0.656 176.939 176.300 -0.029 0.000 1.102 1041 D CA -0.078 53.815 54.000 -0.178 0.000 0.901 1041 D CB 1.040 41.814 40.800 -0.044 0.000 1.026 1041 D HN 0.738 nan 8.370 nan 0.000 0.515 1042 E N 1.844 122.028 120.200 -0.026 0.000 2.118 1042 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 1042 E C 1.336 177.941 176.600 0.008 0.000 0.992 1042 E CA 0.848 57.251 56.400 0.005 0.000 0.804 1042 E CB 0.403 30.098 29.700 -0.008 0.000 0.741 1042 E HN 0.613 nan 8.360 nan 0.000 0.458 1043 E N 0.775 120.977 120.200 0.004 0.000 2.017 1043 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 1043 E C 2.124 178.738 176.600 0.023 0.000 0.997 1043 E CA 1.079 57.486 56.400 0.011 0.000 0.804 1043 E CB -0.093 29.614 29.700 0.011 0.000 0.757 1043 E HN 0.210 nan 8.360 nan 0.000 0.448 1044 A N 1.175 124.018 122.820 0.037 0.000 1.908 1044 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 1044 A C 2.381 179.997 177.584 0.054 0.000 1.181 1044 A CA 1.975 54.043 52.037 0.051 0.000 0.627 1044 A CB -0.841 18.204 19.000 0.076 0.000 0.818 1044 A HN 0.438 nan 8.150 nan 0.000 0.445 1045 A N -0.137 122.722 122.820 0.065 0.000 1.865 1045 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 1045 A C 2.253 179.856 177.584 0.030 0.000 1.191 1045 A CA 1.616 53.699 52.037 0.076 0.000 0.623 1045 A CB -0.543 18.524 19.000 0.112 0.000 0.826 1045 A HN 0.545 nan 8.150 nan 0.000 0.444 1046 R N -0.590 119.917 120.500 0.012 0.000 2.091 1046 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 1046 R C 2.397 178.700 176.300 0.005 0.000 1.136 1046 R CA 1.741 57.839 56.100 -0.003 0.000 0.959 1046 R CB -0.326 29.970 30.300 -0.006 0.000 0.856 1046 R HN 0.618 nan 8.270 nan 0.000 0.437 1047 K N 0.812 121.219 120.400 0.013 0.000 2.032 1047 K HA -0.239 4.081 4.320 -0.000 0.000 0.209 1047 K C 2.036 178.644 176.600 0.014 0.000 1.048 1047 K CA 1.838 58.133 56.287 0.014 0.000 0.927 1047 K CB 0.014 32.525 32.500 0.019 0.000 0.712 1047 K HN -0.058 nan 8.250 nan 0.000 0.441 1048 E N 0.299 120.509 120.200 0.017 0.000 2.106 1048 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 1048 E C 1.588 178.187 176.600 -0.000 0.000 0.984 1048 E CA 1.422 57.829 56.400 0.011 0.000 0.806 1048 E CB -0.197 29.515 29.700 0.021 0.000 0.750 1048 E HN 0.389 nan 8.360 nan 0.000 0.458 1049 A N 0.392 123.212 122.820 0.000 0.000 1.972 1049 A HA -0.115 4.205 4.320 -0.000 0.000 0.219 1049 A C 2.259 179.845 177.584 0.004 0.000 1.169 1049 A CA 1.266 53.299 52.037 -0.008 0.000 0.635 1049 A CB -0.646 18.342 19.000 -0.020 0.000 0.810 1049 A HN 0.341 nan 8.150 nan 0.000 0.446 1050 L N -0.935 120.292 121.223 0.007 0.000 2.056 1050 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 1050 L C 3.122 180.006 176.870 0.023 0.000 1.078 1050 L CA 1.046 55.894 54.840 0.014 0.000 0.749 1050 L CB -0.580 41.486 42.059 0.011 0.000 0.901 1050 L HN 0.442 nan 8.230 nan 0.000 0.433 1051 A N 0.205 123.037 122.820 0.020 0.000 1.877 1051 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 1051 A C 2.236 179.851 177.584 0.051 0.000 1.186 1051 A CA 1.438 53.492 52.037 0.029 0.000 0.620 1051 A CB -0.742 18.269 19.000 0.018 0.000 0.822 1051 A HN 0.349 nan 8.150 nan 0.000 0.443 1052 L N -0.726 120.515 121.223 0.030 0.000 2.131 1052 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 1052 L C 2.767 179.763 176.870 0.209 0.000 1.092 1052 L CA 1.667 56.545 54.840 0.063 0.000 0.759 1052 L CB -0.728 41.267 42.059 -0.106 0.000 0.903 1052 L HN 0.365 nan 8.230 nan 0.000 0.435 1053 T N -1.228 113.389 114.554 0.106 0.000 2.701 1053 T HA -0.193 4.157 4.350 -0.000 0.000 0.263 1053 T C 1.783 176.527 174.700 0.073 0.000 1.040 1053 T CA 1.376 63.529 62.100 0.088 0.000 1.147 1053 T CB -0.103 68.792 68.868 0.046 0.000 0.865 1053 T HN 0.184 nan 8.240 nan 0.000 0.426 1054 E N 1.450 121.685 120.200 0.058 0.000 2.118 1054 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 1054 E C 2.065 178.695 176.600 0.050 0.000 0.992 1054 E CA 1.402 57.828 56.400 0.043 0.000 0.804 1054 E CB -0.207 29.514 29.700 0.034 0.000 0.741 1054 E HN 0.552 nan 8.360 nan 0.000 0.458 1055 E N -0.635 119.616 120.200 0.085 0.000 2.110 1055 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 1055 E C 1.900 178.510 176.600 0.017 0.000 0.988 1055 E CA 0.867 57.320 56.400 0.088 0.000 0.804 1055 E CB -0.138 29.682 29.700 0.201 0.000 0.745 1055 E HN 0.192 nan 8.360 nan 0.000 0.458 1056 L N 1.102 122.331 121.223 0.009 0.000 2.201 1056 L HA -0.130 4.210 4.340 -0.000 0.000 0.212 1056 L C 2.012 178.855 176.870 -0.045 0.000 1.105 1056 L CA 1.531 56.316 54.840 -0.092 0.000 0.775 1056 L CB -0.079 41.951 42.059 -0.048 0.000 0.913 1056 L HN -0.042 nan 8.230 nan 0.000 0.440 1057 R N -0.401 120.094 120.500 -0.009 0.000 2.093 1057 R HA -0.035 4.305 4.340 -0.000 0.000 0.224 1057 R C 1.935 178.230 176.300 -0.009 0.000 1.101 1057 R CA 1.184 57.281 56.100 -0.006 0.000 0.979 1057 R CB -0.283 30.020 30.300 0.005 0.000 0.877 1057 R HN 0.469 nan 8.270 nan 0.000 0.441 1058 R N 0.190 120.687 120.500 -0.004 0.000 2.313 1058 R HA 0.074 4.414 4.340 -0.000 0.000 0.199 1058 R C 0.781 177.073 176.300 -0.012 0.000 0.958 1058 R CA 0.922 57.020 56.100 -0.003 0.000 1.047 1058 R CB 0.128 30.432 30.300 0.007 0.000 0.955 1058 R HN 0.252 nan 8.270 nan 0.000 0.481 1059 G N 0.897 109.680 108.800 -0.029 0.000 2.159 1059 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.256 1059 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.256 1059 G C -0.301 174.570 174.900 -0.048 0.000 0.977 1059 G CA 0.091 45.167 45.100 -0.040 0.000 0.652 1059 G HN 0.502 nan 8.290 nan 0.000 0.531 1060 Q N 0.089 119.862 119.800 -0.044 0.000 2.296 1060 Q HA 0.555 4.895 4.340 -0.000 0.000 0.257 1060 Q C -0.423 175.524 176.000 -0.089 0.000 0.942 1060 Q CA -0.459 55.327 55.803 -0.027 0.000 0.939 1060 Q CB 2.509 31.259 28.738 0.021 0.000 1.198 1060 Q HN 0.199 nan 8.270 nan 0.000 0.429 1061 V N 3.639 123.507 119.914 -0.078 0.000 2.409 1061 V HA 0.240 4.360 4.120 -0.000 0.000 0.291 1061 V C 0.876 177.038 176.094 0.113 0.000 1.020 1061 V CA -0.614 61.614 62.300 -0.119 0.000 0.848 1061 V CB 1.500 33.244 31.823 -0.132 0.000 0.990 1061 V HN 0.794 nan 8.190 nan 0.000 0.430 1062 R N 2.792 123.514 120.500 0.370 0.000 2.090 1062 R HA 0.300 4.640 4.340 -0.000 0.000 0.228 1062 R C 0.978 177.356 176.300 0.130 0.000 1.110 1062 R CA 1.102 57.329 56.100 0.212 0.000 0.973 1062 R CB 0.180 30.580 30.300 0.167 0.000 0.869 1062 R HN 0.877 nan 8.270 nan 0.000 0.440 1063 G N -1.214 107.680 108.800 0.157 0.000 2.427 1063 G HA2 0.072 4.032 3.960 -0.000 0.000 0.306 1063 G HA3 0.072 4.032 3.960 -0.000 0.000 0.306 1063 G C -2.504 172.476 174.900 0.132 0.000 1.280 1063 G CA -0.761 44.400 45.100 0.102 0.000 0.837 1063 G HN -0.213 nan 8.290 nan 0.000 0.482 1064 P HA 0.069 nan 4.420 nan 0.000 0.230 1064 P C 1.080 178.538 177.300 0.264 0.000 1.158 1064 P CA 0.758 63.982 63.100 0.207 0.000 0.769 1064 P CB 0.308 32.142 31.700 0.225 0.000 0.807 1065 L N -1.479 119.841 121.223 0.162 0.000 2.728 1065 L HA 0.194 4.534 4.340 -0.000 0.000 0.238 1065 L C 1.261 178.215 176.870 0.141 0.000 1.143 1065 L CA -0.533 54.399 54.840 0.152 0.000 0.937 1065 L CB -0.733 41.356 42.059 0.050 0.000 1.225 1065 L HN 0.052 nan 8.230 nan 0.000 0.507 1066 H N 1.818 120.928 119.070 0.068 0.000 3.192 1066 H HA -0.054 4.502 4.556 -0.000 0.000 0.295 1066 H C 1.214 176.571 175.328 0.049 0.000 0.943 1066 H CA 1.468 57.546 56.048 0.050 0.000 1.416 1066 H CB 0.632 30.419 29.762 0.042 0.000 1.434 1066 H HN 0.453 nan 8.280 nan 0.000 0.565 1067 G N 4.466 113.205 108.800 -0.102 0.000 2.184 1067 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.264 1067 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.264 1067 G C 0.373 175.301 174.900 0.047 0.000 0.975 1067 G CA 0.326 45.437 45.100 0.017 0.000 0.642 1067 G HN 0.607 nan 8.290 nan 0.000 0.536 1068 L N 2.554 123.815 121.223 0.063 0.000 2.281 1068 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 1068 L C -1.659 175.265 176.870 0.091 0.000 1.074 1068 L CA -2.017 52.871 54.840 0.081 0.000 0.817 1068 L CB 1.106 43.233 42.059 0.113 0.000 1.168 1068 L HN -0.022 nan 8.230 nan 0.000 0.434 1069 P HA 0.309 nan 4.420 nan 0.000 0.282 1069 P C -1.113 176.392 177.300 0.342 0.000 1.274 1069 P CA -0.262 62.956 63.100 0.197 0.000 0.770 1069 P CB 1.540 33.213 31.700 -0.045 0.000 0.867 1070 L N 3.036 124.482 121.223 0.371 0.000 2.376 1070 L HA 0.635 4.975 4.340 -0.000 0.000 0.258 1070 L C 0.841 177.673 176.870 -0.063 0.000 1.013 1070 L CA -0.390 54.559 54.840 0.181 0.000 0.822 1070 L CB 2.071 44.170 42.059 0.067 0.000 1.388 1070 L HN 0.391 nan 8.230 nan 0.000 0.413 1071 T N -1.704 112.755 114.554 -0.160 0.000 2.940 1071 T HA 0.913 5.263 4.350 -0.000 0.000 0.288 1071 T C -0.798 173.812 174.700 -0.149 0.000 1.045 1071 T CA -0.808 61.106 62.100 -0.310 0.000 1.018 1071 T CB 1.787 70.467 68.868 -0.314 0.000 1.151 1071 T HN 0.265 nan 8.240 nan 0.000 0.529 1072 V N 1.192 121.036 119.914 -0.117 0.000 2.638 1072 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 1072 V C 0.102 176.232 176.094 0.060 0.000 1.052 1072 V CA -1.257 61.017 62.300 -0.043 0.000 0.885 1072 V CB 1.865 33.660 31.823 -0.046 0.000 0.999 1072 V HN 1.070 nan 8.190 nan 0.000 0.424 1073 K N 2.036 122.530 120.400 0.158 0.000 2.489 1073 K HA -0.031 4.289 4.320 -0.000 0.000 0.278 1073 K C 0.484 177.205 176.600 0.202 0.000 1.000 1073 K CA 0.055 56.459 56.287 0.195 0.000 1.012 1073 K CB 0.341 33.004 32.500 0.272 0.000 0.903 1073 K HN 0.767 nan 8.250 nan 0.000 0.485 1074 D N 3.884 124.349 120.400 0.109 0.000 2.488 1074 D HA -0.043 4.597 4.640 -0.000 0.000 0.260 1074 D C 0.637 176.957 176.300 0.034 0.000 1.273 1074 D CA 0.306 54.349 54.000 0.073 0.000 0.912 1074 D CB -0.061 40.770 40.800 0.051 0.000 0.982 1074 D HN 0.499 nan 8.370 nan 0.000 0.492 1075 L N -3.678 117.547 121.223 0.003 0.000 2.817 1075 L HA 0.475 4.815 4.340 -0.000 0.000 0.248 1075 L C -0.304 176.424 176.870 -0.236 0.000 1.133 1075 L CA -0.243 54.515 54.840 -0.137 0.000 0.935 1075 L CB -0.436 41.489 42.059 -0.223 0.000 1.266 1075 L HN -0.261 nan 8.230 nan 0.000 0.535 1076 F N 2.511 122.458 119.950 -0.004 0.000 2.385 1076 F HA 0.635 5.162 4.527 -0.000 0.000 0.360 1076 F C -2.146 173.639 175.800 -0.024 0.000 1.122 1076 F CA -2.410 55.581 58.000 -0.014 0.000 1.090 1076 F CB 0.782 39.773 39.000 -0.015 0.000 1.150 1076 F HN -0.193 nan 8.300 nan 0.000 0.472 1077 P HA 0.115 nan 4.420 nan 0.000 0.268 1077 P C -0.925 176.410 177.300 0.059 0.000 1.204 1077 P CA 0.075 63.209 63.100 0.056 0.000 0.768 1077 P CB 0.899 32.614 31.700 0.024 0.000 0.842 1078 V N 4.521 124.448 119.914 0.022 0.000 2.588 1078 V HA 0.241 4.361 4.120 -0.000 0.000 0.304 1078 V C 0.295 176.385 176.094 -0.005 0.000 1.042 1078 V CA -0.949 61.358 62.300 0.012 0.000 0.877 1078 V CB 1.894 33.725 31.823 0.014 0.000 0.996 1078 V HN 0.435 nan 8.190 nan 0.000 0.425 1079 K N 2.594 122.993 120.400 -0.001 0.000 2.524 1079 K HA 0.284 4.604 4.320 -0.000 0.000 0.279 1079 K C 1.288 177.889 176.600 0.001 0.000 0.993 1079 K CA 1.074 57.359 56.287 -0.003 0.000 1.030 1079 K CB 0.193 32.695 32.500 0.002 0.000 0.891 1079 K HN 1.205 nan 8.250 nan 0.000 0.488 1080 G N 2.290 111.084 108.800 -0.011 0.000 2.184 1080 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.264 1080 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.264 1080 G C -0.019 174.862 174.900 -0.031 0.000 0.975 1080 G CA 0.267 45.367 45.100 0.001 0.000 0.642 1080 G HN 0.519 nan 8.290 nan 0.000 0.536 1081 M N 1.340 120.881 119.600 -0.098 0.000 2.395 1081 M HA 0.431 4.911 4.480 -0.000 0.000 0.307 1081 M C -2.378 173.724 176.300 -0.329 0.000 1.091 1081 M CA -1.993 53.133 55.300 -0.289 0.000 0.919 1081 M CB 2.697 35.223 32.600 -0.123 0.000 1.662 1081 M HN -0.015 nan 8.290 nan 0.000 0.440 1082 P HA 0.226 nan 4.420 nan 0.000 0.277 1082 P C -1.071 176.096 177.300 -0.222 0.000 1.240 1082 P CA -0.226 62.678 63.100 -0.327 0.000 0.798 1082 P CB 0.808 32.290 31.700 -0.364 0.000 0.979 1083 T N 2.814 117.288 114.554 -0.133 0.000 2.815 1083 T HA 0.346 4.696 4.350 -0.000 0.000 0.289 1083 T C 0.886 175.543 174.700 -0.071 0.000 1.000 1083 T CA -0.495 61.558 62.100 -0.078 0.000 0.958 1083 T CB 1.174 70.011 68.868 -0.052 0.000 0.944 1083 T HN 0.341 nan 8.240 nan 0.000 0.442 1084 R N 1.990 122.458 120.500 -0.053 0.000 2.419 1084 R HA 0.429 4.769 4.340 -0.000 0.000 0.235 1084 R C 1.308 177.588 176.300 -0.033 0.000 0.899 1084 R CA 0.206 56.271 56.100 -0.058 0.000 1.048 1084 R CB 0.422 30.685 30.300 -0.060 0.000 1.182 1084 R HN 0.762 nan 8.270 nan 0.000 0.544 1085 A N 1.167 123.984 122.820 -0.005 0.000 2.771 1085 A HA -0.224 4.096 4.320 -0.000 0.000 0.294 1085 A C 1.177 178.786 177.584 0.042 0.000 1.500 1085 A CA 1.035 53.085 52.037 0.022 0.000 0.829 1085 A CB -2.246 16.776 19.000 0.036 0.000 0.998 1085 A HN 0.658 nan 8.150 nan 0.000 0.526 1086 G N -2.893 105.930 108.800 0.039 0.000 2.203 1086 G HA2 0.019 3.979 3.960 -0.000 0.000 0.263 1086 G HA3 0.019 3.979 3.960 -0.000 0.000 0.263 1086 G C 0.620 175.591 174.900 0.119 0.000 1.012 1086 G CA 1.658 46.802 45.100 0.073 0.000 0.749 1086 G HN 2.475 nan 8.290 nan 0.000 0.512 1087 T N -2.053 112.507 114.554 0.010 0.000 2.887 1087 T HA 0.649 4.999 4.350 -0.000 0.000 0.292 1087 T C 0.779 175.217 174.700 -0.436 0.000 1.087 1087 T CA -0.515 61.522 62.100 -0.105 0.000 1.009 1087 T CB 1.188 70.014 68.868 -0.070 0.000 1.203 1087 T HN -0.085 nan 8.240 nan 0.000 0.518 1088 K N 0.759 120.636 120.400 -0.871 0.000 2.353 1088 K HA 0.425 4.745 4.320 -0.000 0.000 0.195 1088 K C 0.695 176.903 176.600 -0.654 0.000 1.031 1088 K CA -0.071 55.697 56.287 -0.864 0.000 1.079 1088 K CB 0.404 32.065 32.500 -1.399 0.000 0.857 1088 K HN 0.632 nan 8.250 nan 0.000 0.535 1089 A N 3.428 125.831 122.820 -0.696 0.000 2.304 1089 A HA 0.394 4.714 4.320 -0.000 0.000 0.271 1089 A C -2.204 175.125 177.584 -0.424 0.000 1.091 1089 A CA -1.092 50.535 52.037 -0.684 0.000 0.812 1089 A CB -0.184 17.989 19.000 -1.379 0.000 1.056 1089 A HN -0.059 nan 8.150 nan 0.000 0.489 1090 P HA 0.341 nan 4.420 nan 0.000 0.274 1090 P C -0.941 176.307 177.300 -0.087 0.000 1.231 1090 P CA 0.065 63.032 63.100 -0.221 0.000 0.790 1090 P CB 0.667 32.215 31.700 -0.253 0.000 0.951 1091 L N 3.005 124.195 121.223 -0.056 0.000 2.334 1091 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 1091 L C -1.560 175.302 176.870 -0.013 0.000 1.020 1091 L CA -2.245 52.604 54.840 0.015 0.000 0.812 1091 L CB 1.317 43.379 42.059 0.004 0.000 1.264 1091 L HN 0.330 nan 8.230 nan 0.000 0.439 1092 P HA 0.173 nan 4.420 nan 0.000 0.272 1092 P C -2.614 174.658 177.300 -0.046 0.000 1.240 1092 P CA -1.027 62.046 63.100 -0.046 0.000 0.791 1092 P CB -0.505 31.145 31.700 -0.084 0.000 0.978 1093 P HA 0.130 nan 4.420 nan 0.000 0.264 1093 P C -0.728 176.548 177.300 -0.040 0.000 1.183 1093 P CA 0.610 63.687 63.100 -0.040 0.000 0.763 1093 P CB 0.534 32.213 31.700 -0.035 0.000 0.807 1094 L N 3.560 124.761 121.223 -0.036 0.000 2.466 1094 L HA 0.460 4.800 4.340 -0.000 0.000 0.258 1094 L C -1.847 175.007 176.870 -0.025 0.000 0.973 1094 L CA -2.097 52.724 54.840 -0.032 0.000 0.826 1094 L CB 2.268 44.305 42.059 -0.035 0.000 1.372 1094 L HN 0.347 nan 8.230 nan 0.000 0.409 1095 P HA 0.048 nan 4.420 nan 0.000 0.274 1095 P C 0.106 177.399 177.300 -0.012 0.000 1.260 1095 P CA -0.310 62.783 63.100 -0.012 0.000 0.793 1095 P CB 0.989 32.686 31.700 -0.005 0.000 1.048 1096 E N -0.552 119.642 120.200 -0.011 0.000 2.204 1096 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 1096 E C 0.299 176.897 176.600 -0.003 0.000 0.989 1096 E CA 0.690 57.082 56.400 -0.013 0.000 0.824 1096 E CB 0.323 30.015 29.700 -0.013 0.000 0.756 1096 E HN 0.553 nan 8.360 nan 0.000 0.477 1097 E N -0.487 119.716 120.200 0.006 0.000 2.291 1097 E HA 0.439 4.789 4.350 -0.000 0.000 0.276 1097 E C -1.626 174.995 176.600 0.035 0.000 0.896 1097 E CA -0.566 55.846 56.400 0.019 0.000 0.774 1097 E CB 1.603 31.308 29.700 0.009 0.000 1.227 1097 E HN 0.189 nan 8.360 nan 0.000 0.413 1098 A N 3.329 126.192 122.820 0.073 0.000 2.445 1098 A HA 0.161 4.481 4.320 -0.000 0.000 0.242 1098 A C 1.022 178.645 177.584 0.064 0.000 1.075 1098 A CA -0.035 52.069 52.037 0.110 0.000 0.777 1098 A CB 0.816 19.986 19.000 0.282 0.000 1.013 1098 A HN 0.830 nan 8.150 nan 0.000 0.493 1099 R N 2.022 122.555 120.500 0.054 0.000 2.103 1099 R HA -0.186 4.154 4.340 -0.000 0.000 0.242 1099 R C 2.089 178.387 176.300 -0.004 0.000 1.142 1099 R CA 2.645 58.756 56.100 0.019 0.000 0.960 1099 R CB -0.819 29.490 30.300 0.016 0.000 0.858 1099 R HN 0.845 nan 8.270 nan 0.000 0.439 1100 A N -0.518 122.302 122.820 -0.001 0.000 1.902 1100 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 1100 A C 2.342 179.845 177.584 -0.136 0.000 1.181 1100 A CA 1.744 53.730 52.037 -0.087 0.000 0.623 1100 A CB -0.667 18.241 19.000 -0.153 0.000 0.818 1100 A HN 0.199 nan 8.150 nan 0.000 0.443 1101 V N 0.034 119.878 119.914 -0.116 0.000 2.343 1101 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 1101 V C 2.636 178.691 176.094 -0.066 0.000 1.051 1101 V CA 2.256 64.490 62.300 -0.108 0.000 1.036 1101 V CB -0.807 30.986 31.823 -0.049 0.000 0.654 1101 V HN 0.703 nan 8.190 nan 0.000 0.451 1102 R N -0.106 120.371 120.500 -0.039 0.000 2.091 1102 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 1102 R C 2.544 178.820 176.300 -0.040 0.000 1.136 1102 R CA 1.477 57.560 56.100 -0.029 0.000 0.959 1102 R CB -0.183 30.107 30.300 -0.017 0.000 0.856 1102 R HN 0.330 nan 8.270 nan 0.000 0.437 1103 R N 0.586 121.054 120.500 -0.054 0.000 2.083 1103 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 1103 R C 2.356 178.612 176.300 -0.073 0.000 1.137 1103 R CA 1.447 57.510 56.100 -0.063 0.000 0.951 1103 R CB -0.776 29.478 30.300 -0.077 0.000 0.851 1103 R HN 0.358 nan 8.270 nan 0.000 0.434 1104 L N -0.070 121.102 121.223 -0.086 0.000 2.027 1104 L HA -0.119 4.221 4.340 -0.000 0.000 0.206 1104 L C 2.874 179.711 176.870 -0.055 0.000 1.074 1104 L CA 1.316 56.107 54.840 -0.083 0.000 0.745 1104 L CB -0.491 41.511 42.059 -0.096 0.000 0.898 1104 L HN 0.177 nan 8.230 nan 0.000 0.433 1105 R N 0.709 121.182 120.500 -0.046 0.000 2.073 1105 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 1105 R C 2.084 178.367 176.300 -0.027 0.000 1.134 1105 R CA 1.679 57.760 56.100 -0.032 0.000 0.952 1105 R CB -0.115 30.171 30.300 -0.024 0.000 0.850 1105 R HN 0.398 nan 8.270 nan 0.000 0.433 1106 E N -0.265 119.920 120.200 -0.025 0.000 2.265 1106 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 1106 E C 1.559 178.154 176.600 -0.008 0.000 0.996 1106 E CA 0.890 57.282 56.400 -0.014 0.000 0.832 1106 E CB 0.016 29.708 29.700 -0.014 0.000 0.756 1106 E HN 0.468 nan 8.360 nan 0.000 0.491 1107 A N 0.290 123.097 122.820 -0.021 0.000 2.208 1107 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 1107 A C 1.789 179.383 177.584 0.016 0.000 1.161 1107 A CA 0.875 52.905 52.037 -0.012 0.000 0.782 1107 A CB -0.150 18.818 19.000 -0.054 0.000 0.816 1107 A HN 0.341 nan 8.150 nan 0.000 0.477 1108 G N -2.049 106.745 108.800 -0.010 0.000 2.176 1108 G HA2 0.098 4.058 3.960 -0.000 0.000 0.232 1108 G HA3 0.098 4.058 3.960 -0.000 0.000 0.232 1108 G C 0.535 175.382 174.900 -0.089 0.000 0.986 1108 G CA 0.246 45.312 45.100 -0.057 0.000 0.643 1108 G HN 1.572 nan 8.290 nan 0.000 0.522 1109 A N -0.250 122.551 122.820 -0.033 0.000 2.507 1109 A HA 0.579 4.899 4.320 -0.000 0.000 0.235 1109 A C 0.361 177.939 177.584 -0.010 0.000 1.070 1109 A CA 0.799 52.831 52.037 -0.009 0.000 0.768 1109 A CB 0.555 19.554 19.000 -0.002 0.000 1.011 1109 A HN 1.553 nan 8.150 nan 0.000 0.502 1110 L N 3.004 124.248 121.223 0.035 0.000 2.297 1110 L HA 0.435 4.775 4.340 -0.000 0.000 0.277 1110 L C -0.726 176.244 176.870 0.165 0.000 1.040 1110 L CA -0.026 54.856 54.840 0.071 0.000 0.867 1110 L CB 0.194 42.290 42.059 0.062 0.000 1.244 1110 L HN 0.529 nan 8.230 nan 0.000 0.433 1111 L N 5.972 127.258 121.223 0.104 0.000 2.342 1111 L HA 0.225 4.565 4.340 -0.000 0.000 0.285 1111 L C 0.520 177.464 176.870 0.122 0.000 1.095 1111 L CA -0.106 54.775 54.840 0.068 0.000 0.843 1111 L CB -0.006 42.055 42.059 0.003 0.000 1.201 1111 L HN 0.748 nan 8.230 nan 0.000 0.445 1112 F N 0.998 120.965 119.950 0.027 0.000 2.682 1112 F HA 0.754 5.281 4.527 -0.000 0.000 0.308 1112 F C 0.504 176.331 175.800 0.046 0.000 1.093 1112 F CA -0.395 57.623 58.000 0.032 0.000 1.244 1112 F CB 0.307 39.316 39.000 0.016 0.000 1.052 1112 F HN 0.335 nan 8.300 nan 0.000 0.573 1113 A N 0.436 122.951 122.820 -0.508 0.000 2.597 1113 A HA 0.634 4.954 4.320 -0.000 0.000 0.292 1113 A C -1.445 176.024 177.584 -0.191 0.000 1.057 1113 A CA -1.054 50.801 52.037 -0.302 0.000 0.674 1113 A CB 1.155 19.911 19.000 -0.406 0.000 1.278 1113 A HN 0.019 nan 8.150 nan 0.000 0.416 1114 K N 1.544 121.938 120.400 -0.011 0.000 2.138 1114 K HA 0.647 4.967 4.320 -0.000 0.000 0.263 1114 K C 0.047 176.656 176.600 0.015 0.000 0.965 1114 K CA -0.199 56.102 56.287 0.023 0.000 0.868 1114 K CB 1.587 34.142 32.500 0.091 0.000 1.083 1114 K HN 0.954 nan 8.250 nan 0.000 0.443 1115 T N -0.874 113.689 114.554 0.015 0.000 2.934 1115 T HA 0.364 4.714 4.350 -0.000 0.000 0.283 1115 T C 0.519 175.248 174.700 0.049 0.000 1.005 1115 T CA -0.732 61.383 62.100 0.024 0.000 1.041 1115 T CB 1.068 69.947 68.868 0.018 0.000 1.042 1115 T HN 0.414 nan 8.240 nan 0.000 0.505 1119 E N 5.580 125.761 120.200 -0.032 0.000 2.820 1119 E HA -0.021 4.329 4.350 -0.000 0.000 0.251 1119 E C 1.035 177.739 176.600 0.173 0.000 0.944 1119 E CA 1.164 57.631 56.400 0.111 0.000 0.955 1119 E CB -0.027 29.751 29.700 0.129 0.000 0.904 1119 E HN 0.643 nan 8.360 nan 0.000 0.513 1120 I N 1.805 122.450 120.570 0.124 0.000 6.220 1120 I HA -0.409 3.761 4.170 -0.000 0.000 0.127 1120 I C 0.720 176.899 176.117 0.104 0.000 1.787 1120 I CA 0.873 62.228 61.300 0.091 0.000 2.227 1120 I CB -2.363 35.614 38.000 -0.039 0.000 3.387 1120 I HN 0.765 nan 8.210 nan 0.000 0.224 1121 A N -0.730 122.165 122.820 0.125 0.000 2.945 1121 A HA -0.232 4.088 4.320 -0.000 0.000 0.263 1121 A C 0.494 178.125 177.584 0.077 0.000 1.293 1121 A CA 1.298 53.397 52.037 0.103 0.000 0.944 1121 A CB -1.831 17.206 19.000 0.063 0.000 1.093 1121 A HN 1.319 nan 8.150 nan 0.000 0.786 1122 L N 0.065 121.351 121.223 0.106 0.000 2.512 1122 L HA 0.612 4.952 4.340 -0.000 0.000 0.247 1122 L C 0.637 177.461 176.870 -0.077 0.000 1.204 1122 L CA 1.295 56.156 54.840 0.036 0.000 1.153 1122 L CB -0.250 41.825 42.059 0.027 0.000 1.415 1122 L HN 1.393 nan 8.230 nan 0.000 0.406 1123 G N 2.511 111.103 108.800 -0.347 0.000 2.340 1123 G HA2 0.224 4.184 3.960 -0.000 0.000 0.300 1123 G HA3 0.224 4.184 3.960 -0.000 0.000 0.300 1123 G C -0.334 174.112 174.900 -0.757 0.000 1.488 1123 G CA -0.157 44.408 45.100 -0.893 0.000 0.878 1123 G HN 0.496 nan 8.290 nan 0.000 0.618 1124 I N -1.935 118.349 120.570 -0.477 0.000 4.225 1124 I HA 0.278 4.448 4.170 -0.000 0.000 0.327 1124 I C 1.641 177.684 176.117 -0.123 0.000 1.422 1124 I CA 0.653 61.822 61.300 -0.219 0.000 1.150 1124 I CB 0.835 38.780 38.000 -0.091 0.000 1.192 1124 I HN 0.534 nan 8.210 nan 0.000 0.440 1125 T N -1.950 112.558 114.554 -0.077 0.000 2.937 1125 T HA 0.240 4.590 4.350 -0.000 0.000 0.260 1125 T C 1.773 176.531 174.700 0.097 0.000 1.051 1125 T CA 1.267 63.358 62.100 -0.015 0.000 1.141 1125 T CB -0.172 68.637 68.868 -0.098 0.000 0.879 1125 T HN 0.749 nan 8.240 nan 0.000 0.459 1126 G N 1.154 110.116 108.800 0.269 0.000 2.175 1126 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 1126 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 1126 G C -0.225 174.699 174.900 0.042 0.000 0.982 1126 G CA 0.051 45.240 45.100 0.148 0.000 0.641 1126 G HN 0.668 nan 8.290 nan 0.000 0.527 1127 E N 0.771 120.976 120.200 0.008 0.000 2.200 1127 E HA 0.442 4.792 4.350 -0.000 0.000 0.283 1127 E C -0.478 176.003 176.600 -0.198 0.000 1.015 1127 E CA -0.553 55.807 56.400 -0.068 0.000 0.819 1127 E CB 0.975 30.645 29.700 -0.050 0.000 1.081 1127 E HN 0.178 nan 8.360 nan 0.000 0.397 1128 N N 4.298 122.898 118.700 -0.167 0.000 2.519 1128 N HA 0.156 4.896 4.740 -0.000 0.000 0.286 1128 N C -2.192 173.216 175.510 -0.170 0.000 1.079 1128 N CA -2.022 50.904 53.050 -0.207 0.000 0.878 1128 N CB 1.705 40.115 38.487 -0.129 0.000 1.375 1128 N HN 0.179 nan 8.380 nan 0.000 0.514 1129 P HA -0.048 nan 4.420 nan 0.000 0.223 1129 P C 0.908 178.079 177.300 -0.215 0.000 1.151 1129 P CA 0.901 63.803 63.100 -0.331 0.000 0.787 1129 P CB 0.246 31.620 31.700 -0.544 0.000 0.788 1130 W N 0.965 122.237 121.300 -0.047 0.000 2.481 1130 W HA -0.044 4.616 4.660 -0.000 0.000 0.293 1130 W C 2.479 178.979 176.519 -0.032 0.000 1.201 1130 W CA 1.378 58.698 57.345 -0.041 0.000 1.328 1130 W CB -0.813 28.616 29.460 -0.051 0.000 1.112 1130 W HN 0.020 nan 8.180 nan 0.000 0.546 1131 T N -2.782 111.893 114.554 0.201 0.000 3.022 1131 T HA 0.522 4.872 4.350 -0.000 0.000 0.250 1131 T C 0.894 175.632 174.700 0.064 0.000 1.060 1131 T CA 0.442 62.611 62.100 0.115 0.000 1.013 1131 T CB 0.213 69.135 68.868 0.091 0.000 0.982 1131 T HN 0.267 nan 8.240 nan 0.000 0.508 1132 G N 2.394 111.215 108.800 0.034 0.000 2.663 1132 G HA2 0.091 4.051 3.960 -0.000 0.000 0.686 1132 G HA3 0.091 4.051 3.960 -0.000 0.000 0.686 1132 G C -3.235 171.665 174.900 -0.000 0.000 1.246 1132 G CA -0.649 44.458 45.100 0.011 0.000 0.795 1132 G HN 0.379 nan 8.290 nan 0.000 0.627 1133 P HA 0.482 nan 4.420 nan 0.000 0.274 1133 P C 0.012 177.324 177.300 0.021 0.000 1.237 1133 P CA -0.310 62.788 63.100 -0.004 0.000 0.793 1133 P CB 1.358 33.056 31.700 -0.004 0.000 0.977 1134 V N 3.301 123.233 119.914 0.029 0.000 2.481 1134 V HA 0.301 4.421 4.120 -0.000 0.000 0.286 1134 V C 1.011 177.135 176.094 0.049 0.000 1.042 1134 V CA -0.439 61.886 62.300 0.043 0.000 0.928 1134 V CB 0.650 32.501 31.823 0.046 0.000 0.986 1134 V HN 0.482 nan 8.190 nan 0.000 0.462 1135 R N 3.110 123.641 120.500 0.052 0.000 2.474 1135 R HA 0.327 4.667 4.340 -0.000 0.000 0.295 1135 R C 0.151 176.483 176.300 0.053 0.000 0.980 1135 R CA -0.808 55.325 56.100 0.054 0.000 0.934 1135 R CB 0.915 31.247 30.300 0.053 0.000 1.101 1135 R HN 0.713 nan 8.270 nan 0.000 0.469 1136 N N 1.460 120.195 118.700 0.057 0.000 2.292 1136 N HA -0.127 4.613 4.740 -0.000 0.000 0.258 1136 N C 0.776 176.298 175.510 0.019 0.000 1.261 1136 N CA 0.351 53.433 53.050 0.052 0.000 0.845 1136 N CB 1.099 39.612 38.487 0.043 0.000 1.064 1136 N HN 0.746 nan 8.380 nan 0.000 0.471 1137 A N 3.926 126.744 122.820 -0.004 0.000 1.978 1137 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 1137 A C 2.070 179.615 177.584 -0.066 0.000 1.170 1137 A CA 1.565 53.559 52.037 -0.072 0.000 0.636 1137 A CB -0.206 18.741 19.000 -0.089 0.000 0.810 1137 A HN 0.566 nan 8.150 nan 0.000 0.448 1138 V N -0.512 119.387 119.914 -0.024 0.000 2.500 1138 V HA 0.029 4.149 4.120 -0.000 0.000 0.243 1138 V C 0.550 176.648 176.094 0.007 0.000 1.039 1138 V CA 1.412 63.704 62.300 -0.013 0.000 1.053 1138 V CB -0.246 31.569 31.823 -0.014 0.000 0.695 1138 V HN 0.570 nan 8.190 nan 0.000 0.463 1139 D N 0.126 120.531 120.400 0.008 0.000 2.542 1139 D HA 0.254 4.894 4.640 -0.000 0.000 0.252 1139 D C -2.099 174.217 176.300 0.026 0.000 1.222 1139 D CA -2.119 51.891 54.000 0.016 0.000 0.895 1139 D CB 2.383 43.183 40.800 0.000 0.000 1.207 1139 D HN 0.066 nan 8.370 nan 0.000 0.558 1140 P HA -0.025 nan 4.420 nan 0.000 0.231 1140 P C 0.595 177.917 177.300 0.037 0.000 1.158 1140 P CA 0.378 63.508 63.100 0.049 0.000 0.763 1140 P CB 0.498 32.238 31.700 0.067 0.000 0.805 1141 S N -1.226 114.490 115.700 0.027 0.000 2.540 1141 S HA 0.193 4.663 4.470 -0.000 0.000 0.218 1141 S C 0.860 175.470 174.600 0.016 0.000 0.977 1141 S CA -0.274 57.939 58.200 0.021 0.000 0.918 1141 S CB 0.240 63.450 63.200 0.016 0.000 0.806 1141 S HN 0.185 nan 8.310 nan 0.000 0.496 1142 R N 1.139 121.648 120.500 0.015 0.000 2.828 1142 R HA 0.427 4.767 4.340 -0.000 0.000 0.264 1142 R C -0.449 175.871 176.300 0.033 0.000 1.022 1142 R CA -0.671 55.432 56.100 0.006 0.000 1.021 1142 R CB 0.864 31.146 30.300 -0.029 0.000 1.163 1142 R HN 0.255 nan 8.270 nan 0.000 0.494 1143 Q N 0.138 119.969 119.800 0.051 0.000 2.352 1143 Q HA 0.132 4.472 4.340 -0.000 0.000 0.260 1143 Q C 0.457 176.585 176.000 0.213 0.000 0.976 1143 Q CA -0.020 55.859 55.803 0.127 0.000 0.881 1143 Q CB 1.168 30.020 28.738 0.190 0.000 1.235 1143 Q HN 0.749 nan 8.270 nan 0.000 0.419 1144 A N 2.545 125.472 122.820 0.179 0.000 2.072 1144 A HA 0.329 4.649 4.320 -0.000 0.000 0.216 1144 A C 0.962 178.654 177.584 0.181 0.000 1.156 1144 A CA 0.880 53.023 52.037 0.176 0.000 0.701 1144 A CB -0.475 18.579 19.000 0.091 0.000 0.816 1144 A HN 1.010 nan 8.150 nan 0.000 0.458 1145 G N -2.538 106.340 108.800 0.130 0.000 2.796 1145 G HA2 0.412 4.372 3.960 -0.000 0.000 0.571 1145 G HA3 0.412 4.372 3.960 -0.000 0.000 0.571 1145 G C 0.169 174.968 174.900 -0.168 0.000 1.370 1145 G CA -0.410 44.572 45.100 -0.197 0.000 0.856 1145 G HN 1.676 nan 8.290 nan 0.000 0.538 1146 G N -2.388 106.269 108.800 -0.238 0.000 2.827 1146 G HA2 0.795 4.755 3.960 -0.000 0.000 0.296 1146 G HA3 0.795 4.755 3.960 -0.000 0.000 0.296 1146 G C 0.702 175.545 174.900 -0.095 0.000 1.362 1146 G CA 0.790 45.827 45.100 -0.104 0.000 0.809 1146 G HN 2.115 nan 8.290 nan 0.000 0.522 1147 S N -1.317 114.374 115.700 -0.015 0.000 2.582 1147 S HA 0.258 4.728 4.470 -0.000 0.000 0.234 1147 S C 0.697 175.334 174.600 0.062 0.000 0.961 1147 S CA 0.285 58.522 58.200 0.061 0.000 0.953 1147 S CB 0.428 63.680 63.200 0.088 0.000 0.800 1147 S HN 0.310 nan 8.310 nan 0.000 0.471 1148 S N 1.276 116.997 115.700 0.035 0.000 2.506 1148 S HA 0.379 4.849 4.470 -0.000 0.000 0.245 1148 S C 1.657 176.277 174.600 0.034 0.000 1.088 1148 S CA -0.172 58.059 58.200 0.051 0.000 1.099 1148 S CB 0.201 63.436 63.200 0.057 0.000 0.805 1148 S HN 0.672 nan 8.310 nan 0.000 0.461 1149 G N 2.283 111.100 108.800 0.029 0.000 2.446 1149 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 1149 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 1149 G C 1.430 176.351 174.900 0.037 0.000 1.168 1149 G CA 0.888 46.003 45.100 0.025 0.000 0.771 1149 G HN 0.579 nan 8.290 nan 0.000 0.551 1150 G N 0.398 109.224 108.800 0.043 0.000 2.418 1150 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.217 1150 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.217 1150 G C 2.144 177.065 174.900 0.034 0.000 1.158 1150 G CA 1.462 46.587 45.100 0.040 0.000 0.771 1150 G HN 0.429 nan 8.290 nan 0.000 0.545 1151 S N 0.915 116.637 115.700 0.037 0.000 2.368 1151 S HA -0.011 4.459 4.470 -0.000 0.000 0.225 1151 S C 2.806 177.427 174.600 0.034 0.000 1.030 1151 S CA 1.230 59.450 58.200 0.033 0.000 0.999 1151 S CB -0.382 62.845 63.200 0.045 0.000 0.844 1151 S HN 0.593 nan 8.310 nan 0.000 0.459 1152 A N 1.070 123.911 122.820 0.035 0.000 1.877 1152 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 1152 A C 2.344 179.943 177.584 0.026 0.000 1.186 1152 A CA 1.593 53.651 52.037 0.036 0.000 0.620 1152 A CB -0.938 18.084 19.000 0.037 0.000 0.822 1152 A HN 0.343 nan 8.150 nan 0.000 0.443 1153 V N -0.085 119.841 119.914 0.021 0.000 2.343 1153 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 1153 V C 3.066 179.148 176.094 -0.019 0.000 1.051 1153 V CA 1.884 64.181 62.300 -0.004 0.000 1.036 1153 V CB -1.314 30.512 31.823 0.005 0.000 0.654 1153 V HN 0.625 nan 8.190 nan 0.000 0.451 1154 A N -0.071 122.756 122.820 0.012 0.000 1.883 1154 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 1154 A C 2.396 180.000 177.584 0.033 0.000 1.186 1154 A CA 2.338 54.395 52.037 0.032 0.000 0.624 1154 A CB -0.806 18.221 19.000 0.045 0.000 0.822 1154 A HN 0.343 nan 8.150 nan 0.000 0.444 1155 V N -0.278 119.656 119.914 0.033 0.000 2.407 1155 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 1155 V C 3.022 179.125 176.094 0.015 0.000 1.055 1155 V CA 1.869 64.193 62.300 0.039 0.000 1.049 1155 V CB -1.187 30.663 31.823 0.046 0.000 0.662 1155 V HN 0.635 nan 8.190 nan 0.000 0.455 1156 A N -0.320 122.493 122.820 -0.010 0.000 1.933 1156 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 1156 A C 2.059 179.587 177.584 -0.094 0.000 1.175 1156 A CA 1.538 53.551 52.037 -0.039 0.000 0.628 1156 A CB -0.409 18.563 19.000 -0.046 0.000 0.814 1156 A HN 0.526 nan 8.150 nan 0.000 0.444 1157 L N -1.323 119.810 121.223 -0.150 0.000 2.592 1157 L HA 0.230 4.570 4.340 -0.000 0.000 0.227 1157 L C 1.510 178.332 176.870 -0.079 0.000 1.127 1157 L CA 0.469 55.145 54.840 -0.273 0.000 0.884 1157 L CB -0.127 41.602 42.059 -0.549 0.000 1.065 1157 L HN 0.583 nan 8.230 nan 0.000 0.457 1158 G N 1.093 109.892 108.800 -0.001 0.000 2.137 1158 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.237 1158 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.237 1158 G C 0.182 175.144 174.900 0.102 0.000 1.002 1158 G CA -0.303 44.831 45.100 0.056 0.000 0.702 1158 G HN 0.318 nan 8.290 nan 0.000 0.515 1159 I N 1.855 122.501 120.570 0.127 0.000 2.224 1159 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 1159 I C 1.195 177.514 176.117 0.338 0.000 1.155 1159 I CA 0.778 62.214 61.300 0.226 0.000 1.297 1159 I CB -0.149 37.977 38.000 0.209 0.000 1.487 1159 I HN 0.819 nan 8.210 nan 0.000 0.564 1160 G N 3.769 112.765 108.800 0.326 0.000 2.663 1160 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 1160 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 1160 G C 0.021 175.038 174.900 0.195 0.000 1.246 1160 G CA -0.880 44.456 45.100 0.393 0.000 0.795 1160 G HN 0.398 nan 8.290 nan 0.000 0.627 1161 L N 0.561 121.883 121.223 0.164 0.000 2.446 1161 L HA 0.526 4.866 4.340 -0.000 0.000 0.219 1161 L C 1.531 178.463 176.870 0.102 0.000 1.116 1161 L CA 1.443 56.350 54.840 0.112 0.000 0.844 1161 L CB -0.426 41.694 42.059 0.102 0.000 0.970 1161 L HN 1.326 nan 8.230 nan 0.000 0.457 1162 A N -1.559 121.324 122.820 0.105 0.000 2.564 1162 A HA 0.698 5.018 4.320 -0.000 0.000 0.291 1162 A C -1.170 176.446 177.584 0.053 0.000 1.102 1162 A CA -0.335 51.749 52.037 0.078 0.000 0.660 1162 A CB 1.684 20.731 19.000 0.078 0.000 1.283 1162 A HN -0.166 nan 8.150 nan 0.000 0.430 1163 S N -1.244 114.474 115.700 0.029 0.000 2.579 1163 S HA 0.676 5.146 4.470 -0.000 0.000 0.272 1163 S C -2.099 172.488 174.600 -0.020 0.000 1.141 1163 S CA -0.383 57.815 58.200 -0.003 0.000 0.843 1163 S CB 1.425 64.630 63.200 0.009 0.000 1.122 1163 S HN 1.840 nan 8.310 nan 0.000 0.468 1164 L N 3.148 124.331 121.223 -0.067 0.000 2.313 1164 L HA 0.937 5.277 4.340 -0.000 0.000 0.283 1164 L C 0.196 177.066 176.870 -0.001 0.000 1.013 1164 L CA 0.398 55.162 54.840 -0.126 0.000 0.816 1164 L CB 0.928 42.769 42.059 -0.363 0.000 1.236 1164 L HN 0.793 nan 8.230 nan 0.000 0.419 1165 G N 2.009 110.873 108.800 0.107 0.000 3.086 1165 G HA2 0.721 4.681 3.960 -0.000 0.000 0.282 1165 G HA3 0.721 4.681 3.960 -0.000 0.000 0.282 1165 G C -1.099 173.999 174.900 0.330 0.000 1.343 1165 G CA 0.043 45.298 45.100 0.258 0.000 0.895 1165 G HN 0.734 nan 8.290 nan 0.000 0.557 1166 T N -2.198 112.491 114.554 0.224 0.000 2.906 1166 T HA 0.659 5.009 4.350 -0.000 0.000 0.295 1166 T C -1.929 172.838 174.700 0.111 0.000 1.075 1166 T CA -0.700 61.504 62.100 0.174 0.000 1.005 1166 T CB 2.684 71.608 68.868 0.095 0.000 1.136 1166 T HN 0.457 nan 8.240 nan 0.000 0.498 1167 D N 0.243 120.715 120.400 0.120 0.000 2.736 1167 D HA 0.396 5.036 4.640 -0.000 0.000 0.243 1167 D C 0.090 176.481 176.300 0.152 0.000 1.304 1167 D CA -0.407 53.640 54.000 0.078 0.000 0.934 1167 D CB 2.406 43.202 40.800 -0.008 0.000 1.382 1167 D HN 0.631 nan 8.370 nan 0.000 0.571 1168 T N 1.208 115.855 114.554 0.155 0.000 3.056 1168 T HA 0.235 4.585 4.350 -0.000 0.000 0.243 1168 T C 1.266 176.131 174.700 0.276 0.000 0.995 1168 T CA 0.449 62.697 62.100 0.247 0.000 1.091 1168 T CB 0.770 69.765 68.868 0.212 0.000 0.990 1168 T HN 0.451 nan 8.240 nan 0.000 0.464 1169 G N -0.292 108.606 108.800 0.163 0.000 3.528 1169 G HA2 0.487 4.447 3.960 -0.000 0.000 0.266 1169 G HA3 0.487 4.447 3.960 -0.000 0.000 0.266 1169 G C 0.801 175.641 174.900 -0.100 0.000 1.004 1169 G CA 0.183 45.248 45.100 -0.058 0.000 0.853 1169 G HN 0.710 nan 8.290 nan 0.000 0.501 1170 G N -0.166 108.617 108.800 -0.028 0.000 2.276 1170 G HA2 -0.166 3.795 3.960 -0.000 0.000 0.177 1170 G HA3 -0.166 3.795 3.960 -0.000 0.000 0.177 1170 G C 0.968 175.852 174.900 -0.028 0.000 1.017 1170 G CA 0.418 45.501 45.100 -0.028 0.000 0.750 1170 G HN 0.222 nan 8.290 nan 0.000 0.506 1171 S N -0.007 115.687 115.700 -0.010 0.000 2.584 1171 S HA 0.113 4.583 4.470 -0.000 0.000 0.240 1171 S C 1.992 176.588 174.600 -0.007 0.000 0.975 1171 S CA 0.842 59.033 58.200 -0.015 0.000 0.949 1171 S CB -0.044 63.166 63.200 0.016 0.000 0.761 1171 S HN 0.446 nan 8.310 nan 0.000 0.536 1172 I N 0.281 120.850 120.570 -0.001 0.000 3.443 1172 I HA 0.161 4.331 4.170 -0.000 0.000 0.277 1172 I C 2.120 178.243 176.117 0.009 0.000 1.169 1172 I CA 0.594 61.902 61.300 0.014 0.000 1.419 1172 I CB -0.710 37.303 38.000 0.022 0.000 1.331 1172 I HN 0.131 nan 8.210 nan 0.000 0.458 1173 R N 0.853 121.356 120.500 0.004 0.000 2.081 1173 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 1173 R C 2.256 178.567 176.300 0.019 0.000 1.131 1173 R CA 1.400 57.516 56.100 0.027 0.000 0.960 1173 R CB -0.258 30.061 30.300 0.032 0.000 0.856 1173 R HN 0.257 nan 8.270 nan 0.000 0.436 1174 I N 1.209 121.752 120.570 -0.044 0.000 2.099 1174 I HA -0.216 3.954 4.170 -0.000 0.000 0.239 1174 I C -0.714 175.235 176.117 -0.281 0.000 1.066 1174 I CA 1.297 62.500 61.300 -0.162 0.000 1.324 1174 I CB -1.166 36.666 38.000 -0.279 0.000 1.037 1174 I HN 0.132 nan 8.210 nan 0.000 0.401 1175 P HA -0.163 nan 4.420 nan 0.000 0.220 1175 P C 1.350 178.662 177.300 0.020 0.000 1.148 1175 P CA 1.926 64.932 63.100 -0.157 0.000 0.803 1175 P CB 0.003 31.646 31.700 -0.094 0.000 0.782 1176 A N 0.746 123.588 122.820 0.037 0.000 1.877 1176 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 1176 A C 2.647 180.310 177.584 0.132 0.000 1.186 1176 A CA 2.109 54.196 52.037 0.083 0.000 0.620 1176 A CB -1.945 17.105 19.000 0.084 0.000 0.822 1176 A HN 0.283 nan 8.150 nan 0.000 0.443 1177 G N -1.217 107.684 108.800 0.168 0.000 2.421 1177 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 1177 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 1177 G C 1.331 176.421 174.900 0.317 0.000 1.171 1177 G CA 1.083 46.329 45.100 0.243 0.000 0.775 1177 G HN 0.343 nan 8.290 nan 0.000 0.543 1178 F N 1.613 121.587 119.950 0.041 0.000 2.120 1178 F HA -0.046 4.481 4.527 0.000 0.000 0.300 1178 F C 2.291 178.096 175.800 0.008 0.000 1.095 1178 F CA 1.031 59.039 58.000 0.014 0.000 1.249 1178 F CB -0.185 38.806 39.000 -0.016 0.000 0.995 1178 F HN 0.159 nan 8.300 nan 0.000 0.480 1179 N N -0.840 117.987 118.700 0.211 0.000 2.236 1179 N HA 0.133 4.873 4.740 -0.000 0.000 0.196 1179 N C 1.279 176.828 175.510 0.065 0.000 1.114 1179 N CA 0.889 54.002 53.050 0.105 0.000 0.859 1179 N CB 0.532 39.067 38.487 0.081 0.000 0.982 1179 N HN 0.275 nan 8.380 nan 0.000 0.493 1180 G N 1.358 110.206 108.800 0.081 0.000 2.225 1180 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.264 1180 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.264 1180 G C 0.136 175.070 174.900 0.057 0.000 1.060 1180 G CA 0.732 45.868 45.100 0.059 0.000 0.833 1180 G HN 0.320 nan 8.290 nan 0.000 0.498 1181 V N -4.016 115.940 119.914 0.070 0.000 3.164 1181 V HA 0.918 5.038 4.120 -0.000 0.000 0.313 1181 V C 0.535 176.679 176.094 0.083 0.000 1.188 1181 V CA -1.164 61.176 62.300 0.066 0.000 1.058 1181 V CB 2.021 33.878 31.823 0.057 0.000 1.110 1181 V HN 0.582 nan 8.190 nan 0.000 0.453 1182 V N 0.853 120.817 119.914 0.083 0.000 2.481 1182 V HA 0.803 4.923 4.120 -0.000 0.000 0.286 1182 V C 0.744 176.905 176.094 0.112 0.000 1.042 1182 V CA 0.603 62.962 62.300 0.099 0.000 0.928 1182 V CB 0.954 32.832 31.823 0.092 0.000 0.986 1182 V HN 1.317 nan 8.190 nan 0.000 0.462 1183 G N 3.532 112.411 108.800 0.132 0.000 2.723 1183 G HA2 0.592 4.552 3.960 -0.000 0.000 0.295 1183 G HA3 0.592 4.552 3.960 -0.000 0.000 0.295 1183 G C -1.613 173.413 174.900 0.209 0.000 1.464 1183 G CA -0.347 44.836 45.100 0.139 0.000 1.012 1183 G HN 0.430 nan 8.290 nan 0.000 0.522 1184 F N 2.799 122.771 119.950 0.036 0.000 2.444 1184 F HA 0.635 5.162 4.527 -0.000 0.000 0.342 1184 F C 0.057 175.872 175.800 0.024 0.000 1.121 1184 F CA -1.471 56.547 58.000 0.031 0.000 0.997 1184 F CB 2.135 41.160 39.000 0.042 0.000 1.130 1184 F HN 0.285 nan 8.300 nan 0.000 0.454 1185 K N 8.571 128.591 120.400 -0.633 0.000 2.347 1185 K HA 0.437 4.757 4.320 -0.000 0.000 0.262 1185 K C -2.793 173.204 176.600 -1.006 0.000 1.052 1185 K CA -1.970 53.963 56.287 -0.590 0.000 0.946 1185 K CB 1.091 33.359 32.500 -0.387 0.000 1.220 1185 K HN 0.333 nan 8.250 nan 0.000 0.450 1186 P HA 0.018 nan 4.420 nan 0.000 0.274 1186 P C -0.607 176.554 177.300 -0.231 0.000 1.264 1186 P CA -0.345 62.365 63.100 -0.650 0.000 0.795 1186 P CB 0.515 32.093 31.700 -0.203 0.000 1.064 1187 S N -0.950 114.672 115.700 -0.130 0.000 2.568 1187 S HA 0.003 4.473 4.470 -0.000 0.000 0.282 1187 S C -0.125 174.445 174.600 -0.050 0.000 1.338 1187 S CA -0.058 58.023 58.200 -0.199 0.000 1.045 1187 S CB -0.429 62.622 63.200 -0.249 0.000 0.873 1187 S HN 0.303 nan 8.310 nan 0.000 0.516 1188 Y N 1.742 121.941 120.300 -0.169 0.000 2.805 1188 Y HA 0.274 4.824 4.550 -0.000 0.000 0.337 1188 Y C 1.436 177.300 175.900 -0.059 0.000 1.252 1188 Y CA 1.457 59.440 58.100 -0.195 0.000 1.515 1188 Y CB -0.129 38.243 38.460 -0.146 0.000 1.305 1188 Y HN 0.920 nan 8.280 nan 0.000 0.600 1189 G N 4.071 112.413 108.800 -0.763 0.000 2.245 1189 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.264 1189 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.264 1189 G C 1.234 176.035 174.900 -0.166 0.000 0.985 1189 G CA 0.823 45.659 45.100 -0.441 0.000 0.625 1189 G HN 0.779 nan 8.290 nan 0.000 0.536 1190 R N 0.637 121.075 120.500 -0.103 0.000 2.080 1190 R HA 0.163 4.503 4.340 -0.000 0.000 0.236 1190 R C 1.177 177.451 176.300 -0.044 0.000 1.137 1190 R CA 2.113 58.195 56.100 -0.030 0.000 0.943 1190 R CB -0.387 29.915 30.300 0.003 0.000 0.846 1190 R HN 0.502 nan 8.270 nan 0.000 0.431 1191 V N 1.135 121.009 119.914 -0.068 0.000 2.427 1191 V HA 0.249 4.369 4.120 -0.000 0.000 0.286 1191 V C -0.157 175.895 176.094 -0.069 0.000 1.034 1191 V CA -0.675 61.594 62.300 -0.052 0.000 0.893 1191 V CB 1.419 33.224 31.823 -0.031 0.000 0.982 1191 V HN 0.361 nan 8.190 nan 0.000 0.452 1192 S N 4.196 119.869 115.700 -0.045 0.000 2.533 1192 S HA 0.284 4.754 4.470 -0.000 0.000 0.282 1192 S C 0.514 175.126 174.600 0.019 0.000 1.304 1192 S CA -0.297 57.882 58.200 -0.035 0.000 1.063 1192 S CB 0.153 63.342 63.200 -0.019 0.000 0.881 1192 S HN 0.627 nan 8.310 nan 0.000 0.493 1193 L N 3.615 124.837 121.223 -0.001 0.000 2.700 1193 L HA 0.327 4.667 4.340 -0.000 0.000 0.234 1193 L C 1.061 177.950 176.870 0.032 0.000 1.156 1193 L CA -0.067 54.803 54.840 0.051 0.000 0.946 1193 L CB -0.028 42.019 42.059 -0.021 0.000 1.216 1193 L HN 0.723 nan 8.230 nan 0.000 0.493 1194 E N 0.432 120.647 120.200 0.025 0.000 2.415 1194 E HA 0.132 4.482 4.350 -0.000 0.000 0.263 1194 E C 1.180 177.801 176.600 0.035 0.000 0.995 1194 E CA 0.882 57.292 56.400 0.016 0.000 0.915 1194 E CB 0.511 30.216 29.700 0.008 0.000 0.951 1194 E HN 0.336 nan 8.360 nan 0.000 0.449 1195 G N 2.454 111.262 108.800 0.013 0.000 2.205 1195 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 1195 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 1195 G C 0.186 175.089 174.900 0.005 0.000 0.980 1195 G CA 0.181 45.290 45.100 0.015 0.000 0.632 1195 G HN 0.858 nan 8.290 nan 0.000 0.533 1196 A N -0.160 122.647 122.820 -0.021 0.000 2.295 1196 A HA 0.802 5.122 4.320 -0.000 0.000 0.318 1196 A C 0.258 177.746 177.584 -0.160 0.000 1.134 1196 A CA -0.265 51.685 52.037 -0.146 0.000 0.827 1196 A CB 1.072 19.867 19.000 -0.342 0.000 1.136 1196 A HN 1.450 nan 8.150 nan 0.000 0.493 1197 L N 2.841 123.950 121.223 -0.190 0.000 2.477 1197 L HA 0.355 4.695 4.340 -0.000 0.000 0.272 1197 L C -2.179 174.618 176.870 -0.122 0.000 1.157 1197 L CA -0.844 53.923 54.840 -0.122 0.000 0.889 1197 L CB -0.024 41.991 42.059 -0.073 0.000 1.158 1197 L HN 0.405 nan 8.230 nan 0.000 0.473 1198 P HA 0.287 nan 4.420 nan 0.000 0.278 1198 P C -0.389 176.894 177.300 -0.028 0.000 1.258 1198 P CA -0.565 62.496 63.100 -0.066 0.000 0.811 1198 P CB 1.351 33.011 31.700 -0.066 0.000 1.063 1199 L N 0.076 121.300 121.223 0.002 0.000 2.920 1199 L HA 0.426 4.766 4.340 -0.000 0.000 0.168 1199 L C 0.151 177.030 176.870 0.014 0.000 1.141 1199 L CA 0.916 55.779 54.840 0.038 0.000 0.859 1199 L CB -0.303 41.788 42.059 0.054 0.000 1.398 1199 L HN 0.275 nan 8.230 nan 0.000 0.517 1200 S N -0.038 115.680 115.700 0.030 0.000 2.653 1200 S HA 0.380 4.850 4.470 -0.000 0.000 0.272 1200 S C 0.883 175.525 174.600 0.070 0.000 1.221 1200 S CA -0.573 57.647 58.200 0.034 0.000 1.149 1200 S CB 0.411 63.623 63.200 0.019 0.000 1.029 1200 S HN 0.310 nan 8.310 nan 0.000 0.481 1201 R N 1.683 122.219 120.500 0.060 0.000 2.119 1201 R HA -0.108 4.232 4.340 -0.000 0.000 0.246 1201 R C 2.041 178.446 176.300 0.175 0.000 1.146 1201 R CA 2.006 58.163 56.100 0.095 0.000 0.962 1201 R CB -0.367 29.973 30.300 0.067 0.000 0.863 1201 R HN 0.741 nan 8.270 nan 0.000 0.442 1202 S N -1.262 114.504 115.700 0.109 0.000 2.603 1202 S HA 0.041 4.511 4.470 -0.000 0.000 0.220 1202 S C 1.023 175.551 174.600 -0.120 0.000 0.967 1202 S CA 0.661 58.856 58.200 -0.009 0.000 0.920 1202 S CB 0.594 63.776 63.200 -0.030 0.000 0.773 1202 S HN 0.169 nan 8.310 nan 0.000 0.529 1203 T N 0.371 114.983 114.554 0.096 0.000 3.009 1203 T HA 0.219 4.569 4.350 -0.000 0.000 0.267 1203 T C -0.494 174.401 174.700 0.325 0.000 0.942 1203 T CA -0.432 61.769 62.100 0.168 0.000 0.883 1203 T CB 0.117 69.080 68.868 0.157 0.000 1.192 1203 T HN 0.277 nan 8.240 nan 0.000 0.524 1204 D N 2.416 122.973 120.400 0.262 0.000 2.414 1204 D HA 0.308 4.948 4.640 -0.000 0.000 0.242 1204 D C -0.352 176.008 176.300 0.100 0.000 1.129 1204 D CA 0.580 54.706 54.000 0.211 0.000 0.885 1204 D CB 0.526 41.383 40.800 0.096 0.000 1.198 1204 D HN 0.351 nan 8.370 nan 0.000 0.437 1205 H N -0.767 118.351 119.070 0.081 0.000 2.771 1205 H HA 0.606 5.162 4.556 -0.000 0.000 0.361 1205 H C -0.537 174.811 175.328 0.035 0.000 1.108 1205 H CA -0.783 55.274 56.048 0.014 0.000 1.201 1205 H CB 1.668 31.432 29.762 0.004 0.000 1.681 1205 H HN 0.352 nan 8.280 nan 0.000 0.534 1206 A N 2.168 125.069 122.820 0.135 0.000 2.301 1206 A HA 0.812 5.132 4.320 -0.000 0.000 0.312 1206 A C 0.223 177.860 177.584 0.089 0.000 1.182 1206 A CA 0.122 52.274 52.037 0.192 0.000 0.826 1206 A CB 0.574 19.700 19.000 0.209 0.000 1.134 1206 A HN 0.858 nan 8.150 nan 0.000 0.501 1207 G N 1.259 110.106 108.800 0.080 0.000 2.601 1207 G HA2 0.699 4.659 3.960 -0.000 0.000 0.291 1207 G HA3 0.699 4.659 3.960 -0.000 0.000 0.291 1207 G C -3.485 171.442 174.900 0.045 0.000 1.456 1207 G CA -0.927 44.194 45.100 0.035 0.000 0.804 1207 G HN 0.557 nan 8.290 nan 0.000 0.499 1208 P HA 0.595 nan 4.420 nan 0.000 0.285 1208 P C -0.971 176.386 177.300 0.096 0.000 1.269 1208 P CA -0.593 62.549 63.100 0.070 0.000 0.844 1208 P CB 2.342 34.090 31.700 0.079 0.000 1.094 1209 L N 1.947 123.213 121.223 0.073 0.000 2.356 1209 L HA 0.548 4.888 4.340 -0.000 0.000 0.277 1209 L C 0.676 177.591 176.870 0.075 0.000 0.996 1209 L CA -0.062 54.824 54.840 0.076 0.000 0.822 1209 L CB 2.005 44.100 42.059 0.060 0.000 1.256 1209 L HN 0.558 nan 8.230 nan 0.000 0.413 1210 T N -1.307 113.297 114.554 0.083 0.000 2.778 1210 T HA 0.457 4.807 4.350 -0.000 0.000 0.293 1210 T C 0.463 175.206 174.700 0.071 0.000 1.144 1210 T CA -0.903 61.245 62.100 0.080 0.000 1.010 1210 T CB 1.796 70.720 68.868 0.093 0.000 1.325 1210 T HN 0.466 nan 8.240 nan 0.000 0.515 1211 R N 0.123 120.662 120.500 0.065 0.000 2.312 1211 R HA 0.374 4.714 4.340 -0.000 0.000 0.205 1211 R C 0.364 176.695 176.300 0.051 0.000 0.904 1211 R CA 0.183 56.314 56.100 0.053 0.000 1.052 1211 R CB 0.316 30.642 30.300 0.045 0.000 1.014 1211 R HN 0.821 nan 8.270 nan 0.000 0.503 1212 S N -2.309 113.427 115.700 0.059 0.000 2.565 1212 S HA 0.196 4.666 4.470 -0.000 0.000 0.269 1212 S C 0.632 175.268 174.600 0.059 0.000 1.153 1212 S CA -0.993 57.238 58.200 0.052 0.000 0.835 1212 S CB 1.735 64.959 63.200 0.041 0.000 1.122 1212 S HN -0.200 nan 8.310 nan 0.000 0.462 1213 V N 2.163 122.106 119.914 0.048 0.000 2.427 1213 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 1213 V C 2.933 179.059 176.094 0.053 0.000 1.051 1213 V CA 2.258 64.579 62.300 0.035 0.000 1.048 1213 V CB -1.233 30.602 31.823 0.021 0.000 0.666 1213 V HN 0.960 nan 8.190 nan 0.000 0.456 1214 R N 0.396 120.932 120.500 0.060 0.000 2.120 1214 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 1214 R C 1.666 178.064 176.300 0.164 0.000 1.123 1214 R CA 2.073 58.231 56.100 0.097 0.000 0.975 1214 R CB -0.707 29.619 30.300 0.044 0.000 0.866 1214 R HN 0.364 nan 8.270 nan 0.000 0.446 1215 D N 1.307 121.786 120.400 0.133 0.000 2.144 1215 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 1215 D C 1.997 178.409 176.300 0.186 0.000 0.978 1215 D CA 1.671 55.785 54.000 0.189 0.000 0.833 1215 D CB -0.172 40.711 40.800 0.139 0.000 0.961 1215 D HN 0.420 nan 8.370 nan 0.000 0.470 1216 A N 0.105 123.000 122.820 0.125 0.000 1.898 1216 A HA -0.220 4.100 4.320 -0.000 0.000 0.216 1216 A C 2.037 179.656 177.584 0.059 0.000 1.181 1216 A CA 1.961 54.055 52.037 0.095 0.000 0.620 1216 A CB -0.847 18.189 19.000 0.060 0.000 0.819 1216 A HN 0.379 nan 8.150 nan 0.000 0.442 1217 H N -1.530 117.528 119.070 -0.020 0.000 2.299 1217 H HA -0.143 4.413 4.556 -0.000 0.000 0.302 1217 H C 1.708 177.090 175.328 0.092 0.000 1.078 1217 H CA 2.067 58.100 56.048 -0.025 0.000 1.323 1217 H CB -0.531 29.217 29.762 -0.022 0.000 1.381 1217 H HN 0.377 nan 8.280 nan 0.000 0.498 1218 F N 0.409 120.257 119.950 -0.170 0.000 2.065 1218 F HA -0.178 4.349 4.527 -0.000 0.000 0.298 1218 F C 2.173 177.889 175.800 -0.140 0.000 1.112 1218 F CA 1.450 59.348 58.000 -0.169 0.000 1.212 1218 F CB -0.884 38.110 39.000 -0.010 0.000 0.975 1218 F HN 0.316 nan 8.300 nan 0.000 0.476 1219 L N 0.096 121.224 121.223 -0.158 0.000 2.093 1219 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 1219 L C 2.384 179.147 176.870 -0.179 0.000 1.085 1219 L CA 2.222 56.919 54.840 -0.239 0.000 0.755 1219 L CB -1.275 40.751 42.059 -0.055 0.000 0.904 1219 L HN 0.192 nan 8.230 nan 0.000 0.435 1220 T N -0.894 113.606 114.554 -0.090 0.000 2.821 1220 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 1220 T C 1.672 176.316 174.700 -0.093 0.000 1.046 1220 T CA 1.413 63.503 62.100 -0.017 0.000 1.139 1220 T CB -0.123 68.831 68.868 0.142 0.000 0.871 1220 T HN 0.446 nan 8.240 nan 0.000 0.454 1221 E N 0.609 120.688 120.200 -0.202 0.000 2.077 1221 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 1221 E C 2.145 178.645 176.600 -0.167 0.000 0.989 1221 E CA 0.940 57.231 56.400 -0.181 0.000 0.800 1221 E CB -0.259 29.299 29.700 -0.237 0.000 0.746 1221 E HN 0.491 nan 8.360 nan 0.000 0.452 1222 I N 0.951 121.370 120.570 -0.251 0.000 2.252 1222 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 1222 I C 2.344 178.370 176.117 -0.151 0.000 1.102 1222 I CA 0.903 62.067 61.300 -0.227 0.000 1.385 1222 I CB -0.154 37.642 38.000 -0.340 0.000 1.064 1222 I HN 0.084 nan 8.210 nan 0.000 0.414 1223 L N 0.449 121.587 121.223 -0.142 0.000 2.141 1223 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 1223 L C 2.610 179.438 176.870 -0.071 0.000 1.094 1223 L CA 1.248 56.025 54.840 -0.104 0.000 0.763 1223 L CB -0.513 41.490 42.059 -0.093 0.000 0.908 1223 L HN 0.242 nan 8.230 nan 0.000 0.437 1224 A N -0.798 121.987 122.820 -0.057 0.000 2.132 1224 A HA 0.246 4.566 4.320 -0.000 0.000 0.213 1224 A C 1.741 179.305 177.584 -0.032 0.000 1.154 1224 A CA 0.733 52.750 52.037 -0.033 0.000 0.753 1224 A CB -0.309 18.686 19.000 -0.008 0.000 0.826 1224 A HN 0.480 nan 8.150 nan 0.000 0.469 1225 G N -0.067 108.705 108.800 -0.048 0.000 2.176 1225 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.252 1225 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.252 1225 G C -0.173 174.713 174.900 -0.023 0.000 1.024 1225 G CA 0.686 45.763 45.100 -0.038 0.000 0.755 1225 G HN 1.235 nan 8.290 nan 0.000 0.507 1226 E N -1.217 118.969 120.200 -0.023 0.000 2.392 1226 E HA 0.633 4.983 4.350 -0.000 0.000 0.279 1226 E C -0.137 176.461 176.600 -0.003 0.000 0.964 1226 E CA -0.464 55.934 56.400 -0.003 0.000 0.777 1226 E CB 0.926 30.634 29.700 0.013 0.000 1.249 1226 E HN 0.706 nan 8.360 nan 0.000 0.449 1227 S N 1.592 117.303 115.700 0.019 0.000 2.565 1227 S HA 0.472 4.942 4.470 -0.000 0.000 0.274 1227 S C 0.128 174.768 174.600 0.066 0.000 1.309 1227 S CA -0.655 57.568 58.200 0.038 0.000 1.043 1227 S CB 0.136 63.370 63.200 0.057 0.000 0.939 1227 S HN 0.499 nan 8.310 nan 0.000 0.504 1228 I N 2.985 123.621 120.570 0.110 0.000 2.555 1228 I HA 0.307 4.477 4.170 -0.000 0.000 0.275 1228 I C -2.539 173.727 176.117 0.249 0.000 1.082 1228 I CA -2.321 59.078 61.300 0.165 0.000 1.167 1228 I CB 1.165 39.265 38.000 0.166 0.000 1.312 1228 I HN 0.410 nan 8.210 nan 0.000 0.493 1229 P HA 0.029 nan 4.420 nan 0.000 0.263 1229 P C -0.745 176.575 177.300 0.033 0.000 1.175 1229 P CA 0.390 63.544 63.100 0.090 0.000 0.761 1229 P CB 0.506 32.240 31.700 0.058 0.000 0.794 1230 L N 3.317 124.514 121.223 -0.043 0.000 2.307 1230 L HA 0.350 4.690 4.340 -0.000 0.000 0.284 1230 L C 0.814 177.650 176.870 -0.057 0.000 1.023 1230 L CA -0.667 54.107 54.840 -0.110 0.000 0.810 1230 L CB 1.232 43.140 42.059 -0.252 0.000 1.231 1230 L HN 0.291 nan 8.230 nan 0.000 0.423 1231 E N 1.429 121.602 120.200 -0.044 0.000 2.239 1231 E HA 0.422 4.772 4.350 -0.000 0.000 0.261 1231 E C -0.038 176.544 176.600 -0.031 0.000 1.016 1231 E CA -0.592 55.789 56.400 -0.031 0.000 0.882 1231 E CB 1.643 31.325 29.700 -0.029 0.000 1.190 1231 E HN 0.661 nan 8.360 nan 0.000 0.415 1232 G N -0.287 108.499 108.800 -0.023 0.000 2.527 1232 G HA2 0.388 4.348 3.960 -0.000 0.000 0.248 1232 G HA3 0.388 4.348 3.960 -0.000 0.000 0.248 1232 G C -0.613 174.264 174.900 -0.039 0.000 1.231 1232 G CA -0.319 44.775 45.100 -0.012 0.000 0.838 1232 G HN 0.149 nan 8.290 nan 0.000 0.570 1233 V N 2.222 122.120 119.914 -0.026 0.000 2.444 1233 V HA 0.531 4.651 4.120 -0.000 0.000 0.294 1233 V C -0.189 175.813 176.094 -0.153 0.000 1.022 1233 V CA -0.544 61.666 62.300 -0.150 0.000 0.850 1233 V CB 1.115 32.799 31.823 -0.232 0.000 0.992 1233 V HN 1.001 nan 8.190 nan 0.000 0.426 1234 Q N 2.982 122.654 119.800 -0.213 0.000 2.309 1234 Q HA 0.518 4.858 4.340 -0.000 0.000 0.273 1234 Q C -0.388 175.480 176.000 -0.220 0.000 1.040 1234 Q CA -0.877 54.846 55.803 -0.133 0.000 0.834 1234 Q CB 1.434 30.150 28.738 -0.037 0.000 1.345 1234 Q HN 0.692 nan 8.270 nan 0.000 0.414 1235 N N 1.580 120.173 118.700 -0.178 0.000 2.699 1235 N HA -0.155 4.585 4.740 -0.000 0.000 0.256 1235 N C -2.382 172.919 175.510 -0.348 0.000 0.993 1235 N CA 0.386 53.323 53.050 -0.188 0.000 0.759 1235 N CB -0.760 37.663 38.487 -0.107 0.000 0.906 1235 N HN 0.594 nan 8.380 nan 0.000 0.541 1236 P HA 0.054 nan 4.420 nan 0.000 0.268 1236 P C -0.289 176.559 177.300 -0.754 0.000 1.205 1236 P CA 0.090 62.711 63.100 -0.798 0.000 0.771 1236 P CB 1.073 32.046 31.700 -1.211 0.000 0.858 1237 V N 4.296 123.804 119.914 -0.676 0.000 2.347 1237 V HA 0.286 4.406 4.120 -0.000 0.000 0.280 1237 V C -0.067 175.724 176.094 -0.506 0.000 1.021 1237 V CA -0.283 61.750 62.300 -0.445 0.000 0.847 1237 V CB 0.090 31.767 31.823 -0.242 0.000 0.990 1237 V HN 0.329 nan 8.190 nan 0.000 0.444 1238 F N 2.648 122.553 119.950 -0.075 0.000 2.427 1238 F HA 0.711 5.238 4.527 0.000 0.000 0.346 1238 F C 0.952 176.736 175.800 -0.027 0.000 1.120 1238 F CA -0.633 57.336 58.000 -0.052 0.000 1.033 1238 F CB 1.687 40.660 39.000 -0.044 0.000 1.126 1238 F HN 0.536 nan 8.300 nan 0.000 0.462 1239 G N 1.905 110.806 108.800 0.169 0.000 2.377 1239 G HA2 0.551 4.511 3.960 -0.000 0.000 0.299 1239 G HA3 0.551 4.511 3.960 -0.000 0.000 0.299 1239 G C -1.436 173.543 174.900 0.132 0.000 1.150 1239 G CA -0.548 44.618 45.100 0.110 0.000 0.847 1239 G HN 0.471 nan 8.290 nan 0.000 0.501 1240 V N 4.046 124.036 119.914 0.127 0.000 2.407 1240 V HA 0.342 4.462 4.120 -0.000 0.000 0.291 1240 V C -1.986 174.205 176.094 0.163 0.000 1.018 1240 V CA -1.508 60.896 62.300 0.174 0.000 0.842 1240 V CB 2.448 34.384 31.823 0.187 0.000 0.996 1240 V HN 0.719 nan 8.190 nan 0.000 0.426 1241 P HA 0.204 nan 4.420 nan 0.000 0.237 1241 P C 1.024 178.454 177.300 0.216 0.000 1.788 1241 P CA -0.063 63.148 63.100 0.186 0.000 1.061 1241 P CB 0.458 32.275 31.700 0.196 0.000 1.967 1242 L N 1.096 122.422 121.223 0.172 0.000 2.043 1242 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 1242 L C 2.353 179.295 176.870 0.120 0.000 1.075 1242 L CA 2.066 56.995 54.840 0.149 0.000 0.752 1242 L CB -0.878 41.250 42.059 0.116 0.000 0.891 1242 L HN 0.247 nan 8.230 nan 0.000 0.432 1243 D N -0.215 120.258 120.400 0.122 0.000 2.144 1243 D HA -0.291 4.349 4.640 -0.000 0.000 0.199 1243 D C 2.077 178.448 176.300 0.118 0.000 0.984 1243 D CA 1.198 55.257 54.000 0.099 0.000 0.834 1243 D CB -0.730 40.127 40.800 0.094 0.000 0.955 1243 D HN 0.336 nan 8.370 nan 0.000 0.465 1244 F N 1.151 121.118 119.950 0.028 0.000 2.186 1244 F HA 0.064 4.591 4.527 0.000 0.000 0.299 1244 F C 2.077 177.877 175.800 -0.001 0.000 1.090 1244 F CA 0.919 58.929 58.000 0.016 0.000 1.307 1244 F CB -0.133 38.889 39.000 0.038 0.000 1.019 1244 F HN -0.116 nan 8.300 nan 0.000 0.489 1245 L N -0.032 121.177 121.223 -0.024 0.000 2.395 1245 L HA -0.031 4.309 4.340 -0.000 0.000 0.218 1245 L C 0.846 177.633 176.870 -0.138 0.000 1.130 1245 L CA 0.242 54.999 54.840 -0.137 0.000 0.826 1245 L CB -0.779 41.276 42.059 -0.007 0.000 0.941 1245 L HN 0.031 nan 8.230 nan 0.000 0.451 1246 E N 1.015 121.166 120.200 -0.082 0.000 2.729 1246 E HA -0.051 4.299 4.350 -0.000 0.000 0.246 1246 E C 1.182 177.716 176.600 -0.109 0.000 0.984 1246 E CA 0.689 57.049 56.400 -0.065 0.000 0.951 1246 E CB 0.080 29.758 29.700 -0.037 0.000 0.914 1246 E HN 0.370 nan 8.360 nan 0.000 0.509 1247 G N 4.604 113.350 108.800 -0.090 0.000 2.175 1247 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.265 1247 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.265 1247 G C 0.776 175.587 174.900 -0.147 0.000 0.979 1247 G CA 0.641 45.679 45.100 -0.103 0.000 0.663 1247 G HN 0.675 nan 8.290 nan 0.000 0.533 1248 R N -0.904 119.486 120.500 -0.184 0.000 2.362 1248 R HA 0.432 4.772 4.340 -0.000 0.000 0.227 1248 R C 0.783 176.960 176.300 -0.206 0.000 0.905 1248 R CA 0.000 55.960 56.100 -0.233 0.000 1.067 1248 R CB 0.367 30.464 30.300 -0.338 0.000 1.078 1248 R HN 0.392 nan 8.270 nan 0.000 0.516 1249 L N -0.567 120.565 121.223 -0.153 0.000 2.322 1249 L HA 0.529 4.869 4.340 -0.000 0.000 0.269 1249 L C 0.670 177.479 176.870 -0.102 0.000 1.012 1249 L CA -1.108 53.656 54.840 -0.126 0.000 0.815 1249 L CB 1.639 43.648 42.059 -0.083 0.000 1.295 1249 L HN -0.022 nan 8.230 nan 0.000 0.438 1250 G N -0.039 108.706 108.800 -0.091 0.000 2.507 1250 G HA2 0.391 4.351 3.960 -0.000 0.000 0.271 1250 G HA3 0.391 4.351 3.960 -0.000 0.000 0.271 1250 G C 0.936 175.820 174.900 -0.028 0.000 1.189 1250 G CA -0.555 44.503 45.100 -0.070 0.000 0.859 1250 G HN 0.403 nan 8.290 nan 0.000 0.542 1251 V N 0.782 120.683 119.914 -0.021 0.000 2.282 1251 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 1251 V C 2.723 178.825 176.094 0.014 0.000 1.057 1251 V CA 2.125 64.423 62.300 -0.003 0.000 1.032 1251 V CB -0.385 31.434 31.823 -0.006 0.000 0.645 1251 V HN 0.648 nan 8.190 nan 0.000 0.447 1252 E N -0.103 120.101 120.200 0.007 0.000 2.072 1252 E HA -0.111 4.239 4.350 -0.000 0.000 0.190 1252 E C 2.315 178.938 176.600 0.038 0.000 0.982 1252 E CA 1.060 57.468 56.400 0.013 0.000 0.803 1252 E CB -0.478 29.218 29.700 -0.006 0.000 0.755 1252 E HN 0.491 nan 8.360 nan 0.000 0.453 1253 V N 1.322 121.263 119.914 0.045 0.000 2.427 1253 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 1253 V C 2.520 178.719 176.094 0.174 0.000 1.051 1253 V CA 1.655 64.019 62.300 0.106 0.000 1.048 1253 V CB -0.450 31.420 31.823 0.079 0.000 0.666 1253 V HN 0.107 nan 8.190 nan 0.000 0.456 1254 R N 0.752 121.321 120.500 0.115 0.000 2.091 1254 R HA -0.160 4.180 4.340 -0.000 0.000 0.238 1254 R C 2.254 178.660 176.300 0.177 0.000 1.136 1254 R CA 1.753 57.943 56.100 0.149 0.000 0.959 1254 R CB -0.319 30.029 30.300 0.081 0.000 0.856 1254 R HN 0.466 nan 8.270 nan 0.000 0.437 1255 K N -0.564 119.907 120.400 0.117 0.000 2.057 1255 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 1255 K C 2.100 178.775 176.600 0.125 0.000 1.050 1255 K CA 1.317 57.661 56.287 0.094 0.000 0.935 1255 K CB -0.188 32.344 32.500 0.053 0.000 0.715 1255 K HN 0.253 nan 8.250 nan 0.000 0.439 1256 A N 1.188 124.102 122.820 0.156 0.000 1.902 1256 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1256 A C 1.999 179.834 177.584 0.418 0.000 1.181 1256 A CA 1.170 53.322 52.037 0.193 0.000 0.623 1256 A CB -0.659 18.377 19.000 0.060 0.000 0.818 1256 A HN 0.316 nan 8.150 nan 0.000 0.443 1257 F N 1.406 121.543 119.950 0.311 0.000 2.134 1257 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 1257 F C 2.487 178.347 175.800 0.101 0.000 1.097 1257 F CA 2.143 60.269 58.000 0.210 0.000 1.264 1257 F CB -0.789 38.274 39.000 0.105 0.000 1.001 1257 F HN 0.205 nan 8.300 nan 0.000 0.479 1258 T N 0.656 115.249 114.554 0.066 0.000 2.746 1258 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 1258 T C 2.182 176.841 174.700 -0.069 0.000 1.039 1258 T CA 1.521 63.584 62.100 -0.062 0.000 1.142 1258 T CB -0.342 68.544 68.868 0.029 0.000 0.866 1258 T HN 0.239 nan 8.240 nan 0.000 0.444 1259 R N 0.463 120.970 120.500 0.011 0.000 2.081 1259 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 1259 R C 2.421 178.720 176.300 -0.002 0.000 1.131 1259 R CA 1.181 57.291 56.100 0.016 0.000 0.960 1259 R CB -0.489 29.840 30.300 0.048 0.000 0.856 1259 R HN 0.317 nan 8.270 nan 0.000 0.436 1260 L N 1.324 122.552 121.223 0.009 0.000 2.012 1260 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 1260 L C 2.045 178.838 176.870 -0.130 0.000 1.073 1260 L CA 1.702 56.530 54.840 -0.019 0.000 0.748 1260 L CB -0.493 41.564 42.059 -0.003 0.000 0.891 1260 L HN 0.218 nan 8.230 nan 0.000 0.431 1261 L N -0.656 120.403 121.223 -0.273 0.000 2.131 1261 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 1261 L C 2.479 179.287 176.870 -0.103 0.000 1.092 1261 L CA 1.515 56.210 54.840 -0.243 0.000 0.759 1261 L CB -0.748 41.100 42.059 -0.351 0.000 0.903 1261 L HN 0.402 nan 8.230 nan 0.000 0.435 1262 E N -0.085 120.069 120.200 -0.077 0.000 2.152 1262 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 1262 E C 1.343 177.939 176.600 -0.007 0.000 0.983 1262 E CA 0.907 57.289 56.400 -0.031 0.000 0.818 1262 E CB 0.013 29.700 29.700 -0.022 0.000 0.758 1262 E HN 0.499 nan 8.360 nan 0.000 0.467 1263 D N 0.573 120.972 120.400 -0.003 0.000 2.333 1263 D HA -0.006 4.634 4.640 -0.000 0.000 0.208 1263 D C 1.978 178.304 176.300 0.044 0.000 0.984 1263 D CA 0.274 54.285 54.000 0.018 0.000 0.873 1263 D CB 0.097 40.909 40.800 0.019 0.000 0.935 1263 D HN 0.147 nan 8.370 nan 0.000 0.521 1264 L N 0.925 122.179 121.223 0.051 0.000 2.042 1264 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 1264 L C -0.450 176.504 176.870 0.140 0.000 1.076 1264 L CA 1.436 56.350 54.840 0.124 0.000 0.749 1264 L CB -1.406 40.728 42.059 0.127 0.000 0.893 1264 L HN 0.033 nan 8.230 nan 0.000 0.432 1265 P HA -0.194 nan 4.420 nan 0.000 0.215 1265 P C 1.457 178.805 177.300 0.080 0.000 1.157 1265 P CA 1.830 64.976 63.100 0.076 0.000 0.868 1265 P CB -0.017 31.709 31.700 0.044 0.000 0.788 1266 A N -0.752 122.106 122.820 0.064 0.000 2.019 1266 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 1266 A C 1.983 179.610 177.584 0.071 0.000 1.164 1266 A CA 1.278 53.347 52.037 0.053 0.000 0.644 1266 A CB -1.599 17.420 19.000 0.033 0.000 0.805 1266 A HN 0.156 nan 8.150 nan 0.000 0.449 1267 L N -1.514 119.773 121.223 0.107 0.000 2.599 1267 L HA 0.037 4.377 4.340 -0.000 0.000 0.230 1267 L C 0.498 177.531 176.870 0.272 0.000 1.141 1267 L CA -0.143 54.779 54.840 0.136 0.000 0.877 1267 L CB -0.043 42.097 42.059 0.136 0.000 1.009 1267 L HN 0.314 nan 8.230 nan 0.000 0.447 1268 R N -1.917 118.710 120.500 0.213 0.000 3.762 1268 R HA -0.108 4.232 4.340 -0.000 0.000 0.328 1268 R C -0.020 176.394 176.300 0.190 0.000 1.164 1268 R CA 0.823 57.037 56.100 0.191 0.000 0.861 1268 R CB -2.655 27.764 30.300 0.199 0.000 1.408 1268 R HN 0.321 nan 8.270 nan 0.000 0.502 1269 A N 0.383 123.336 122.820 0.222 0.000 2.288 1269 A HA 0.730 5.050 4.320 -0.000 0.000 0.328 1269 A C -0.278 177.351 177.584 0.075 0.000 1.123 1269 A CA -0.442 51.667 52.037 0.120 0.000 0.861 1269 A CB 1.494 20.686 19.000 0.320 0.000 1.272 1269 A HN 0.204 nan 8.150 nan 0.000 0.490 1270 E N -0.097 120.110 120.200 0.011 0.000 2.222 1270 E HA 0.577 4.927 4.350 -0.000 0.000 0.267 1270 E C -1.835 174.801 176.600 0.060 0.000 0.884 1270 E CA -0.541 55.867 56.400 0.013 0.000 0.764 1270 E CB 1.932 31.605 29.700 -0.044 0.000 1.169 1270 E HN 0.364 nan 8.360 nan 0.000 0.413 1271 V N 4.766 124.715 119.914 0.059 0.000 2.409 1271 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 1271 V C -0.340 175.778 176.094 0.039 0.000 1.020 1271 V CA -0.623 61.719 62.300 0.069 0.000 0.848 1271 V CB 1.456 33.300 31.823 0.035 0.000 0.990 1271 V HN 0.639 nan 8.190 nan 0.000 0.430 1272 R N 2.823 123.351 120.500 0.047 0.000 2.561 1272 R HA 0.447 4.787 4.340 -0.000 0.000 0.297 1272 R C -0.515 175.815 176.300 0.049 0.000 0.969 1272 R CA -0.748 55.372 56.100 0.034 0.000 0.879 1272 R CB 2.781 33.093 30.300 0.019 0.000 1.178 1272 R HN 0.852 nan 8.270 nan 0.000 0.445 1273 E N 2.727 122.954 120.200 0.045 0.000 2.354 1273 E HA 0.275 4.625 4.350 -0.000 0.000 0.269 1273 E C -0.561 176.073 176.600 0.057 0.000 1.036 1273 E CA -0.607 55.829 56.400 0.060 0.000 0.876 1273 E CB 1.014 30.747 29.700 0.054 0.000 1.009 1273 E HN 0.382 nan 8.360 nan 0.000 0.416 1274 V N 0.574 120.531 119.914 0.071 0.000 3.102 1274 V HA 0.631 4.751 4.120 -0.000 0.000 0.312 1274 V C -0.527 175.610 176.094 0.072 0.000 1.135 1274 V CA -0.995 61.342 62.300 0.062 0.000 1.022 1274 V CB 1.692 33.551 31.823 0.059 0.000 1.056 1274 V HN 0.587 nan 8.190 nan 0.000 0.436 1275 S N 1.390 117.127 115.700 0.061 0.000 2.437 1275 S HA 0.770 5.240 4.470 -0.000 0.000 0.305 1275 S C -0.814 173.825 174.600 0.064 0.000 1.109 1275 S CA -0.460 57.781 58.200 0.067 0.000 1.099 1275 S CB 0.871 64.102 63.200 0.052 0.000 1.004 1275 S HN 1.271 nan 8.310 nan 0.000 0.475 1276 L N 7.654 128.927 121.223 0.084 0.000 2.511 1276 L HA 0.495 4.835 4.340 -0.000 0.000 0.252 1276 L C -2.366 174.564 176.870 0.101 0.000 1.542 1276 L CA -1.264 53.606 54.840 0.049 0.000 0.822 1276 L CB 1.252 43.307 42.059 -0.007 0.000 1.050 1276 L HN 0.429 nan 8.230 nan 0.000 0.516 1277 P HA -0.104 nan 4.420 nan 0.000 0.213 1277 P C 0.623 178.021 177.300 0.163 0.000 1.170 1277 P CA 1.322 64.502 63.100 0.132 0.000 0.902 1277 P CB 0.060 31.806 31.700 0.076 0.000 0.789 1278 L N -1.951 119.319 121.223 0.078 0.000 3.678 1278 L HA -0.225 4.115 4.340 -0.000 0.000 0.425 1278 L C -0.139 176.788 176.870 0.096 0.000 1.240 1278 L CA 0.002 54.876 54.840 0.056 0.000 0.876 1278 L CB -2.218 39.843 42.059 0.002 0.000 1.766 1278 L HN 0.260 nan 8.230 nan 0.000 0.917 1279 E N 0.650 120.895 120.200 0.076 0.000 2.480 1279 E HA 0.168 4.518 4.350 -0.000 0.000 0.258 1279 E C 1.390 178.028 176.600 0.063 0.000 0.984 1279 E CA 0.787 57.228 56.400 0.067 0.000 0.930 1279 E CB 0.422 30.149 29.700 0.045 0.000 0.936 1279 E HN 0.491 nan 8.360 nan 0.000 0.466 1280 G N 2.285 111.133 108.800 0.079 0.000 2.184 1280 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.264 1280 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.264 1280 G C 0.892 175.856 174.900 0.107 0.000 0.975 1280 G CA 0.328 45.480 45.100 0.087 0.000 0.642 1280 G HN 0.526 nan 8.290 nan 0.000 0.536 1281 V N -0.177 119.805 119.914 0.114 0.000 2.392 1281 V HA -0.173 3.947 4.120 -0.000 0.000 0.249 1281 V C 2.099 178.287 176.094 0.157 0.000 1.059 1281 V CA 2.929 65.292 62.300 0.104 0.000 1.051 1281 V CB -0.449 31.417 31.823 0.071 0.000 0.658 1281 V HN 0.643 nan 8.190 nan 0.000 0.455 1282 Y N 1.998 122.341 120.300 0.071 0.000 2.097 1282 Y HA -0.282 4.268 4.550 -0.000 0.000 0.282 1282 Y C 2.602 178.581 175.900 0.132 0.000 1.152 1282 Y CA 2.612 60.766 58.100 0.089 0.000 1.136 1282 Y CB -0.344 38.146 38.460 0.051 0.000 0.975 1282 Y HN 0.626 nan 8.280 nan 0.000 0.498 1283 E N -1.379 118.922 120.200 0.169 0.000 2.208 1283 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 1283 E C 2.054 178.663 176.600 0.015 0.000 0.988 1283 E CA 1.371 57.808 56.400 0.062 0.000 0.828 1283 E CB -0.708 29.063 29.700 0.118 0.000 0.763 1283 E HN 0.339 nan 8.360 nan 0.000 0.478 1284 V N 1.070 121.009 119.914 0.040 0.000 2.261 1284 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 1284 V C 2.281 178.374 176.094 -0.002 0.000 1.047 1284 V CA 2.145 64.452 62.300 0.012 0.000 1.015 1284 V CB -0.828 31.007 31.823 0.019 0.000 0.642 1284 V HN 0.360 nan 8.190 nan 0.000 0.446 1285 Y N 1.489 121.738 120.300 -0.084 0.000 2.097 1285 Y HA -0.286 4.264 4.550 -0.000 0.000 0.282 1285 Y C 2.674 178.509 175.900 -0.107 0.000 1.152 1285 Y CA 2.447 60.491 58.100 -0.094 0.000 1.136 1285 Y CB -0.773 37.616 38.460 -0.119 0.000 0.975 1285 Y HN 0.231 nan 8.280 nan 0.000 0.498 1286 T N 1.081 115.529 114.554 -0.178 0.000 2.684 1286 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 1286 T C 1.873 176.459 174.700 -0.190 0.000 1.036 1286 T CA 2.043 63.995 62.100 -0.247 0.000 1.148 1286 T CB -0.271 68.464 68.868 -0.221 0.000 0.863 1286 T HN 0.365 nan 8.240 nan 0.000 0.436 1287 R N 0.303 120.743 120.500 -0.100 0.000 2.075 1287 R HA 0.085 4.425 4.340 -0.000 0.000 0.232 1287 R C 2.540 178.856 176.300 0.027 0.000 1.126 1287 R CA 0.970 57.059 56.100 -0.017 0.000 0.963 1287 R CB -0.593 29.708 30.300 0.003 0.000 0.858 1287 R HN 0.312 nan 8.270 nan 0.000 0.435 1288 L N 0.631 121.834 121.223 -0.035 0.000 2.017 1288 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 1288 L C 2.169 179.057 176.870 0.031 0.000 1.073 1288 L CA 1.265 56.136 54.840 0.051 0.000 0.745 1288 L CB -0.121 41.906 42.059 -0.053 0.000 0.894 1288 L HN 0.008 nan 8.230 nan 0.000 0.432 1289 V N -0.145 119.637 119.914 -0.221 0.000 2.307 1289 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 1289 V C 2.607 178.629 176.094 -0.120 0.000 1.045 1289 V CA 1.900 64.054 62.300 -0.243 0.000 1.024 1289 V CB -0.668 30.812 31.823 -0.573 0.000 0.651 1289 V HN 0.431 nan 8.190 nan 0.000 0.449 1290 R N -1.267 119.164 120.500 -0.116 0.000 2.096 1290 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 1290 R C 2.308 178.581 176.300 -0.045 0.000 1.127 1290 R CA 1.950 58.008 56.100 -0.070 0.000 0.968 1290 R CB -0.512 29.753 30.300 -0.058 0.000 0.861 1290 R HN 0.640 nan 8.270 nan 0.000 0.440 1291 Y N 2.068 122.313 120.300 -0.093 0.000 2.114 1291 Y HA -0.232 4.318 4.550 0.000 0.000 0.284 1291 Y C 2.015 177.802 175.900 -0.188 0.000 1.143 1291 Y CA 1.740 59.768 58.100 -0.120 0.000 1.135 1291 Y CB 0.022 38.435 38.460 -0.079 0.000 0.980 1291 Y HN 0.050 nan 8.280 nan 0.000 0.499 1292 E N -0.012 120.181 120.200 -0.012 0.000 2.077 1292 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 1292 E C 2.382 178.902 176.600 -0.134 0.000 0.989 1292 E CA 0.917 57.258 56.400 -0.098 0.000 0.800 1292 E CB -0.378 29.322 29.700 -0.001 0.000 0.746 1292 E HN 0.583 nan 8.360 nan 0.000 0.452 1293 A N 1.748 124.516 122.820 -0.086 0.000 1.908 1293 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 1293 A C 2.440 179.993 177.584 -0.051 0.000 1.181 1293 A CA 1.794 53.810 52.037 -0.036 0.000 0.627 1293 A CB -0.680 18.313 19.000 -0.012 0.000 0.818 1293 A HN 0.292 nan 8.150 nan 0.000 0.445 1294 A N -0.588 122.148 122.820 -0.140 0.000 1.933 1294 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 1294 A C 2.157 179.627 177.584 -0.191 0.000 1.175 1294 A CA 1.540 53.475 52.037 -0.170 0.000 0.628 1294 A CB -0.397 18.468 19.000 -0.225 0.000 0.814 1294 A HN 0.389 nan 8.150 nan 0.000 0.444 1295 R N -0.226 120.108 120.500 -0.277 0.000 2.115 1295 R HA 0.082 4.422 4.340 -0.000 0.000 0.226 1295 R C 1.895 178.082 176.300 -0.187 0.000 1.100 1295 R CA 0.989 56.933 56.100 -0.260 0.000 0.980 1295 R CB -0.884 29.214 30.300 -0.338 0.000 0.875 1295 R HN 0.659 nan 8.270 nan 0.000 0.445 1296 I N 0.248 120.697 120.570 -0.201 0.000 2.252 1296 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 1296 I C 1.325 177.222 176.117 -0.366 0.000 1.102 1296 I CA 1.244 62.371 61.300 -0.289 0.000 1.385 1296 I CB -0.242 37.532 38.000 -0.376 0.000 1.064 1296 I HN 0.186 nan 8.210 nan 0.000 0.414 1297 H N -0.125 118.913 119.070 -0.053 0.000 2.505 1297 H HA 0.107 4.663 4.556 0.000 0.000 0.286 1297 H C 1.500 176.832 175.328 0.007 0.000 1.072 1297 H CA 0.065 56.122 56.048 0.016 0.000 1.141 1297 H CB 0.271 30.036 29.762 0.005 0.000 1.550 1297 H HN 0.431 nan 8.280 nan 0.000 0.547 1298 E N 2.046 122.257 120.200 0.018 0.000 2.058 1298 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 1298 E C 2.206 178.833 176.600 0.045 0.000 0.997 1298 E CA 1.287 57.685 56.400 -0.003 0.000 0.801 1298 E CB 0.273 29.935 29.700 -0.063 0.000 0.746 1298 E HN 0.309 nan 8.360 nan 0.000 0.450 1299 K N -0.008 120.421 120.400 0.048 0.000 2.002 1299 K HA -0.157 4.163 4.320 -0.000 0.000 0.209 1299 K C 2.079 178.754 176.600 0.126 0.000 1.048 1299 K CA 1.335 57.660 56.287 0.063 0.000 0.930 1299 K CB -0.253 32.271 32.500 0.040 0.000 0.714 1299 K HN 0.169 nan 8.250 nan 0.000 0.438 1300 A N 1.229 124.162 122.820 0.188 0.000 1.933 1300 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 1300 A C 2.025 179.823 177.584 0.357 0.000 1.175 1300 A CA 1.225 53.418 52.037 0.260 0.000 0.628 1300 A CB -0.550 18.631 19.000 0.301 0.000 0.814 1300 A HN 0.413 nan 8.150 nan 0.000 0.444 1301 L N -0.685 120.760 121.223 0.369 0.000 2.201 1301 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 1301 L C 2.093 179.060 176.870 0.162 0.000 1.105 1301 L CA 2.438 57.455 54.840 0.295 0.000 0.775 1301 L CB -0.368 41.741 42.059 0.083 0.000 0.913 1301 L HN 0.360 nan 8.230 nan 0.000 0.440 1302 K N -0.248 120.220 120.400 0.113 0.000 2.099 1302 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 1302 K C 1.898 178.515 176.600 0.029 0.000 1.047 1302 K CA 1.546 57.866 56.287 0.055 0.000 0.963 1302 K CB -0.072 32.448 32.500 0.033 0.000 0.759 1302 K HN 0.450 nan 8.250 nan 0.000 0.451 1303 E N -1.143 119.087 120.200 0.049 0.000 2.170 1303 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 1303 E C 0.012 176.439 176.600 -0.288 0.000 0.981 1303 E CA 0.838 57.210 56.400 -0.047 0.000 0.830 1303 E CB 0.148 29.911 29.700 0.105 0.000 0.775 1303 E HN 0.381 nan 8.360 nan 0.000 0.470 1304 H N -0.515 118.566 119.070 0.019 0.000 2.597 1304 H HA 0.114 4.670 4.556 -0.000 0.000 0.225 1304 H C -1.985 173.349 175.328 0.011 0.000 1.422 1304 H CA -1.355 54.680 56.048 -0.022 0.000 1.335 1304 H CB 0.808 30.511 29.762 -0.098 0.000 1.783 1304 H HN 0.056 nan 8.280 nan 0.000 0.513 1305 P HA -0.176 nan 4.420 nan 0.000 0.221 1305 P C 1.276 178.715 177.300 0.231 0.000 1.150 1305 P CA 1.048 64.306 63.100 0.263 0.000 0.800 1305 P CB 0.624 32.427 31.700 0.173 0.000 0.787 1306 E N 0.688 120.965 120.200 0.129 0.000 2.409 1306 E HA -0.088 4.262 4.350 -0.000 0.000 0.198 1306 E C 1.936 178.609 176.600 0.122 0.000 1.024 1306 E CA 1.371 57.856 56.400 0.142 0.000 0.861 1306 E CB -1.626 28.129 29.700 0.091 0.000 0.788 1306 E HN 0.228 nan 8.360 nan 0.000 0.521 1307 G N 0.061 108.815 108.800 -0.076 0.000 2.650 1307 G HA2 0.011 3.971 3.960 -0.000 0.000 0.214 1307 G HA3 0.011 3.971 3.960 -0.000 0.000 0.214 1307 G C 0.079 174.792 174.900 -0.311 0.000 1.136 1307 G CA -0.158 44.703 45.100 -0.398 0.000 0.789 1307 G HN 0.098 nan 8.290 nan 0.000 0.536 1308 F N 1.140 121.249 119.950 0.265 0.000 2.425 1308 F HA 0.476 5.003 4.527 -0.000 0.000 0.331 1308 F C 1.019 177.078 175.800 0.432 0.000 1.085 1308 F CA -1.443 56.769 58.000 0.354 0.000 1.028 1308 F CB 1.620 40.702 39.000 0.136 0.000 1.177 1308 F HN -0.032 nan 8.300 nan 0.000 0.487 1309 S N 1.849 117.832 115.700 0.471 0.000 2.600 1309 S HA 0.255 4.725 4.470 -0.000 0.000 0.265 1309 S C -2.083 172.547 174.600 0.049 0.000 1.325 1309 S CA -0.971 57.209 58.200 -0.033 0.000 1.002 1309 S CB 1.142 64.165 63.200 -0.295 0.000 0.921 1309 S HN 0.378 nan 8.310 nan 0.000 0.554 1310 P HA -0.144 nan 4.420 nan 0.000 0.215 1310 P C 1.400 178.703 177.300 0.005 0.000 1.157 1310 P CA 1.415 64.513 63.100 -0.002 0.000 0.874 1310 P CB -0.023 31.655 31.700 -0.036 0.000 0.790 1311 Q N -0.964 118.831 119.800 -0.008 0.000 2.050 1311 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 1311 Q C 2.150 178.164 176.000 0.024 0.000 0.980 1311 Q CA 1.379 57.190 55.803 0.014 0.000 0.840 1311 Q CB -1.304 27.451 28.738 0.029 0.000 0.898 1311 Q HN 0.092 nan 8.270 nan 0.000 0.424 1312 V N 0.367 120.304 119.914 0.039 0.000 2.358 1312 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 1312 V C 2.279 178.319 176.094 -0.090 0.000 1.047 1312 V CA 1.877 64.179 62.300 0.003 0.000 1.035 1312 V CB -0.462 31.402 31.823 0.069 0.000 0.658 1312 V HN 0.278 nan 8.190 nan 0.000 0.452 1313 R N 0.079 120.567 120.500 -0.020 0.000 2.105 1313 R HA -0.231 4.109 4.340 -0.000 0.000 0.239 1313 R C 2.389 178.657 176.300 -0.053 0.000 1.135 1313 R CA 2.073 58.148 56.100 -0.041 0.000 0.967 1313 R CB -0.230 30.128 30.300 0.095 0.000 0.861 1313 R HN 0.700 nan 8.270 nan 0.000 0.442 1314 E N -0.388 119.799 120.200 -0.023 0.000 2.072 1314 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 1314 E C 1.730 178.310 176.600 -0.034 0.000 0.985 1314 E CA 1.057 57.446 56.400 -0.018 0.000 0.801 1314 E CB -0.084 29.615 29.700 -0.001 0.000 0.750 1314 E HN 0.448 nan 8.360 nan 0.000 0.452 1315 A N 1.272 124.066 122.820 -0.044 0.000 1.902 1315 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 1315 A C 2.225 179.757 177.584 -0.086 0.000 1.181 1315 A CA 1.081 53.088 52.037 -0.050 0.000 0.623 1315 A CB -0.625 18.351 19.000 -0.042 0.000 0.818 1315 A HN 0.314 nan 8.150 nan 0.000 0.443 1316 L N -0.690 120.447 121.223 -0.142 0.000 2.056 1316 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 1316 L C 2.544 179.336 176.870 -0.130 0.000 1.078 1316 L CA 1.017 55.749 54.840 -0.180 0.000 0.749 1316 L CB -0.567 41.297 42.059 -0.325 0.000 0.901 1316 L HN 0.366 nan 8.230 nan 0.000 0.433 1317 L N -0.351 120.812 121.223 -0.100 0.000 2.083 1317 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 1317 L C 2.836 179.676 176.870 -0.049 0.000 1.083 1317 L CA 1.052 55.853 54.840 -0.064 0.000 0.752 1317 L CB -0.678 41.359 42.059 -0.038 0.000 0.899 1317 L HN 0.244 nan 8.230 nan 0.000 0.433 1318 A N 0.169 122.964 122.820 -0.042 0.000 1.969 1318 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 1318 A C 2.387 179.956 177.584 -0.026 0.000 1.169 1318 A CA 1.525 53.548 52.037 -0.022 0.000 0.635 1318 A CB -1.001 17.991 19.000 -0.012 0.000 0.810 1318 A HN 0.432 nan 8.150 nan 0.000 0.445 1319 G N -0.294 108.472 108.800 -0.056 0.000 2.402 1319 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 1319 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 1319 G C 1.494 176.327 174.900 -0.111 0.000 1.162 1319 G CA 0.850 45.906 45.100 -0.072 0.000 0.777 1319 G HN 0.412 nan 8.290 nan 0.000 0.539 1320 L N 0.642 121.792 121.223 -0.123 0.000 2.191 1320 L HA -0.036 4.304 4.340 -0.000 0.000 0.212 1320 L C 3.262 180.097 176.870 -0.059 0.000 1.103 1320 L CA 0.827 55.590 54.840 -0.128 0.000 0.769 1320 L CB -0.268 41.730 42.059 -0.101 0.000 0.908 1320 L HN 0.336 nan 8.230 nan 0.000 0.438 1321 A N -0.230 122.575 122.820 -0.024 0.000 2.066 1321 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 1321 A C 1.198 178.809 177.584 0.044 0.000 1.157 1321 A CA 0.309 52.350 52.037 0.007 0.000 0.670 1321 A CB -0.365 18.639 19.000 0.008 0.000 0.804 1321 A HN 0.266 nan 8.150 nan 0.000 0.453 1322 L N 1.761 123.030 121.223 0.076 0.000 2.410 1322 L HA 0.206 4.546 4.340 -0.000 0.000 0.273 1322 L C 1.002 178.019 176.870 0.244 0.000 1.152 1322 L CA -0.375 54.563 54.840 0.164 0.000 0.855 1322 L CB 0.850 43.062 42.059 0.255 0.000 1.129 1322 L HN 0.382 nan 8.230 nan 0.000 0.463 1323 T N -1.611 113.049 114.554 0.177 0.000 2.874 1323 T HA 0.163 4.513 4.350 -0.000 0.000 0.281 1323 T C 0.979 175.775 174.700 0.161 0.000 0.994 1323 T CA -0.559 61.642 62.100 0.168 0.000 1.015 1323 T CB 1.365 70.281 68.868 0.081 0.000 1.028 1323 T HN 0.688 nan 8.240 nan 0.000 0.523 1324 E N 0.663 120.949 120.200 0.143 0.000 2.209 1324 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 1324 E C 1.813 178.394 176.600 -0.032 0.000 0.993 1324 E CA 1.248 57.665 56.400 0.028 0.000 0.819 1324 E CB -0.275 29.477 29.700 0.087 0.000 0.745 1324 E HN 0.663 nan 8.360 nan 0.000 0.477 1325 K N 1.108 121.505 120.400 -0.004 0.000 2.057 1325 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 1325 K C 1.477 178.047 176.600 -0.050 0.000 1.050 1325 K CA 1.899 58.172 56.287 -0.024 0.000 0.935 1325 K CB -0.416 32.081 32.500 -0.006 0.000 0.715 1325 K HN 0.135 nan 8.250 nan 0.000 0.439 1326 D N -0.687 119.694 120.400 -0.032 0.000 2.123 1326 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 1326 D C 1.752 177.994 176.300 -0.097 0.000 0.992 1326 D CA 1.120 55.098 54.000 -0.036 0.000 0.833 1326 D CB -0.309 40.504 40.800 0.021 0.000 0.954 1326 D HN 0.258 nan 8.370 nan 0.000 0.455 1327 Y N 1.977 122.047 120.300 -0.383 0.000 2.145 1327 Y HA -0.134 4.416 4.550 0.000 0.000 0.286 1327 Y C 2.380 178.098 175.900 -0.304 0.000 1.145 1327 Y CA 1.453 59.230 58.100 -0.539 0.000 1.148 1327 Y CB -0.176 37.581 38.460 -1.172 0.000 0.981 1327 Y HN -0.186 nan 8.280 nan 0.000 0.507 1328 R N 0.057 120.387 120.500 -0.283 0.000 2.091 1328 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 1328 R C 1.806 177.963 176.300 -0.238 0.000 1.136 1328 R CA 1.641 57.579 56.100 -0.271 0.000 0.959 1328 R CB -0.424 29.797 30.300 -0.132 0.000 0.856 1328 R HN 0.410 nan 8.270 nan 0.000 0.437 1329 D N 0.405 120.702 120.400 -0.171 0.000 2.097 1329 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 1329 D C 1.816 178.025 176.300 -0.152 0.000 0.989 1329 D CA 1.572 55.495 54.000 -0.127 0.000 0.827 1329 D CB -0.304 40.447 40.800 -0.081 0.000 0.966 1329 D HN 0.249 nan 8.370 nan 0.000 0.456 1330 A N 0.691 123.397 122.820 -0.191 0.000 1.902 1330 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 1330 A C 2.568 180.011 177.584 -0.235 0.000 1.181 1330 A CA 1.283 53.209 52.037 -0.184 0.000 0.623 1330 A CB -0.793 18.103 19.000 -0.173 0.000 0.818 1330 A HN 0.143 nan 8.150 nan 0.000 0.443 1331 V N -0.141 119.546 119.914 -0.379 0.000 2.287 1331 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 1331 V C 3.066 179.033 176.094 -0.212 0.000 1.053 1331 V CA 2.106 64.192 62.300 -0.357 0.000 1.027 1331 V CB -1.243 30.287 31.823 -0.487 0.000 0.646 1331 V HN 0.626 nan 8.190 nan 0.000 0.447 1332 A N -0.472 122.237 122.820 -0.184 0.000 1.898 1332 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 1332 A C 2.147 179.674 177.584 -0.095 0.000 1.181 1332 A CA 1.781 53.745 52.037 -0.122 0.000 0.620 1332 A CB -0.481 18.456 19.000 -0.104 0.000 0.819 1332 A HN 0.637 nan 8.150 nan 0.000 0.442 1333 E N -0.766 119.378 120.200 -0.094 0.000 2.153 1333 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 1333 E C 2.230 178.795 176.600 -0.058 0.000 0.988 1333 E CA 1.142 57.504 56.400 -0.064 0.000 0.811 1333 E CB -0.166 29.502 29.700 -0.054 0.000 0.746 1333 E HN 0.658 nan 8.360 nan 0.000 0.466 1334 R N 1.125 121.580 120.500 -0.076 0.000 2.066 1334 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 1334 R C 1.938 178.205 176.300 -0.055 0.000 1.131 1334 R CA 1.234 57.298 56.100 -0.061 0.000 0.955 1334 R CB 0.102 30.356 30.300 -0.076 0.000 0.851 1334 R HN -0.019 nan 8.270 nan 0.000 0.432 1335 E N 0.621 120.779 120.200 -0.069 0.000 2.160 1335 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 1335 E C 1.799 178.372 176.600 -0.045 0.000 0.991 1335 E CA 1.380 57.744 56.400 -0.060 0.000 0.810 1335 E CB -0.278 29.380 29.700 -0.069 0.000 0.742 1335 E HN 0.516 nan 8.360 nan 0.000 0.466 1336 A N 0.556 123.351 122.820 -0.043 0.000 2.067 1336 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 1336 A C 2.246 179.817 177.584 -0.023 0.000 1.158 1336 A CA 0.696 52.714 52.037 -0.031 0.000 0.661 1336 A CB -0.417 18.565 19.000 -0.030 0.000 0.801 1336 A HN 0.188 nan 8.150 nan 0.000 0.452 1337 L N -1.298 119.911 121.223 -0.024 0.000 2.341 1337 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 1337 L C 2.605 179.466 176.870 -0.015 0.000 1.115 1337 L CA 0.317 55.145 54.840 -0.020 0.000 0.820 1337 L CB -0.365 41.678 42.059 -0.027 0.000 0.944 1337 L HN 0.336 nan 8.230 nan 0.000 0.452 1338 R N 0.053 120.546 120.500 -0.012 0.000 2.096 1338 R HA -0.228 4.112 4.340 -0.000 0.000 0.240 1338 R C 2.217 178.521 176.300 0.007 0.000 1.139 1338 R CA 1.501 57.602 56.100 0.002 0.000 0.952 1338 R CB -0.713 29.582 30.300 -0.007 0.000 0.854 1338 R HN 0.170 nan 8.270 nan 0.000 0.436 1339 L N 1.849 123.071 121.223 -0.002 0.000 2.079 1339 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 1339 L C 1.886 178.761 176.870 0.008 0.000 1.081 1339 L CA 1.783 56.624 54.840 0.002 0.000 0.752 1339 L CB -0.423 41.634 42.059 -0.004 0.000 0.896 1339 L HN 0.175 nan 8.230 nan 0.000 0.433 1340 E N -1.036 119.167 120.200 0.004 0.000 2.085 1340 E HA -0.276 4.074 4.350 -0.000 0.000 0.194 1340 E C 2.095 178.703 176.600 0.013 0.000 0.994 1340 E CA 1.510 57.914 56.400 0.007 0.000 0.801 1340 E CB -0.305 29.394 29.700 -0.002 0.000 0.743 1340 E HN 0.408 nan 8.360 nan 0.000 0.453 1341 L N 0.508 121.741 121.223 0.017 0.000 2.056 1341 L HA -0.130 4.210 4.340 -0.000 0.000 0.207 1341 L C 2.221 179.120 176.870 0.049 0.000 1.078 1341 L CA 1.247 56.111 54.840 0.041 0.000 0.749 1341 L CB -0.353 41.743 42.059 0.062 0.000 0.901 1341 L HN -0.069 nan 8.230 nan 0.000 0.433 1342 V N 0.058 119.998 119.914 0.042 0.000 2.282 1342 V HA -0.368 3.752 4.120 -0.000 0.000 0.249 1342 V C 2.604 178.715 176.094 0.029 0.000 1.057 1342 V CA 2.295 64.618 62.300 0.038 0.000 1.032 1342 V CB -0.743 31.096 31.823 0.027 0.000 0.645 1342 V HN 0.482 nan 8.190 nan 0.000 0.447 1343 K N 0.095 120.509 120.400 0.023 0.000 2.057 1343 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 1343 K C 2.308 178.921 176.600 0.022 0.000 1.049 1343 K CA 1.432 57.730 56.287 0.019 0.000 0.931 1343 K CB -0.426 32.083 32.500 0.016 0.000 0.714 1343 K HN 0.485 nan 8.250 nan 0.000 0.440 1344 A N 1.270 124.108 122.820 0.028 0.000 1.933 1344 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 1344 A C 2.058 179.660 177.584 0.031 0.000 1.175 1344 A CA 1.237 53.294 52.037 0.034 0.000 0.628 1344 A CB -0.498 18.527 19.000 0.041 0.000 0.814 1344 A HN 0.167 nan 8.150 nan 0.000 0.444 1345 L N -1.020 120.222 121.223 0.032 0.000 2.313 1345 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 1345 L C 1.549 178.427 176.870 0.012 0.000 1.119 1345 L CA 0.021 54.876 54.840 0.025 0.000 0.809 1345 L CB -0.148 41.932 42.059 0.036 0.000 0.933 1345 L HN 0.319 nan 8.230 nan 0.000 0.449 1346 R N 0.407 120.915 120.500 0.013 0.000 2.421 1346 R HA 0.175 4.515 4.340 -0.000 0.000 0.305 1346 R C 0.919 177.216 176.300 -0.005 0.000 1.039 1346 R CA 0.987 57.089 56.100 0.004 0.000 1.003 1346 R CB 0.154 30.458 30.300 0.006 0.000 0.959 1346 R HN 0.296 nan 8.270 nan 0.000 0.427 1347 G N 2.370 111.160 108.800 -0.017 0.000 2.213 1347 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 1347 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 1347 G C -0.197 174.677 174.900 -0.044 0.000 0.991 1347 G CA 0.081 45.165 45.100 -0.027 0.000 0.629 1347 G HN 0.800 nan 8.290 nan 0.000 0.517 1348 V N -3.080 116.807 119.914 -0.044 0.000 3.046 1348 V HA 0.828 4.948 4.120 -0.000 0.000 0.316 1348 V C 0.717 176.754 176.094 -0.096 0.000 1.104 1348 V CA -0.100 62.156 62.300 -0.073 0.000 1.006 1348 V CB 1.916 33.719 31.823 -0.034 0.000 1.058 1348 V HN -0.082 nan 8.190 nan 0.000 0.440 1349 D N 1.372 121.667 120.400 -0.176 0.000 2.234 1349 D HA 0.402 5.042 4.640 -0.000 0.000 0.205 1349 D C 0.668 176.914 176.300 -0.090 0.000 0.962 1349 D CA 1.917 55.808 54.000 -0.181 0.000 0.855 1349 D CB 1.024 41.621 40.800 -0.338 0.000 0.951 1349 D HN 1.069 nan 8.370 nan 0.000 0.500 1350 A N -0.389 122.413 122.820 -0.031 0.000 2.567 1350 A HA 0.513 4.833 4.320 -0.000 0.000 0.291 1350 A C -1.623 176.043 177.584 0.136 0.000 1.048 1350 A CA -0.707 51.373 52.037 0.073 0.000 0.661 1350 A CB 0.426 19.516 19.000 0.150 0.000 1.288 1350 A HN 0.010 nan 8.150 nan 0.000 0.424 1351 L N 0.612 121.866 121.223 0.053 0.000 2.343 1351 L HA 0.665 5.005 4.340 -0.000 0.000 0.275 1351 L C -0.717 176.156 176.870 0.005 0.000 1.056 1351 L CA -0.587 54.270 54.840 0.030 0.000 0.804 1351 L CB 1.267 43.283 42.059 -0.070 0.000 1.203 1351 L HN 0.598 nan 8.230 nan 0.000 0.440 1352 L N 4.500 125.747 121.223 0.041 0.000 2.386 1352 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 1352 L C -0.813 176.106 176.870 0.082 0.000 0.993 1352 L CA -0.657 54.183 54.840 -0.001 0.000 0.819 1352 L CB 2.072 44.092 42.059 -0.066 0.000 1.294 1352 L HN 0.528 nan 8.230 nan 0.000 0.414 1353 L N 1.236 122.406 121.223 -0.088 0.000 2.724 1353 L HA 0.678 5.018 4.340 -0.000 0.000 0.258 1353 L C -2.994 173.633 176.870 -0.404 0.000 0.967 1353 L CA -1.962 52.667 54.840 -0.352 0.000 0.891 1353 L CB 1.776 43.755 42.059 -0.132 0.000 1.456 1353 L HN 0.177 nan 8.230 nan 0.000 0.416 1354 P HA 0.053 nan 4.420 nan 0.000 0.269 1354 P C 0.366 177.629 177.300 -0.061 0.000 1.215 1354 P CA -0.229 62.712 63.100 -0.264 0.000 0.780 1354 P CB 1.206 32.775 31.700 -0.217 0.000 0.898 1355 V N 1.036 120.989 119.914 0.065 0.000 3.506 1355 V HA 0.009 4.130 4.120 -0.000 0.000 0.263 1355 V C 0.409 176.611 176.094 0.180 0.000 1.203 1355 V CA 1.313 63.684 62.300 0.118 0.000 1.133 1355 V CB -0.696 31.210 31.823 0.140 0.000 0.802 1355 V HN 0.629 nan 8.190 nan 0.000 0.459 1356 Q N -0.270 119.647 119.800 0.194 0.000 2.418 1356 Q HA 0.439 4.779 4.340 -0.000 0.000 0.282 1356 Q C -2.676 173.380 176.000 0.093 0.000 1.044 1356 Q CA -1.668 54.293 55.803 0.263 0.000 0.813 1356 Q CB 1.822 30.853 28.738 0.488 0.000 1.428 1356 Q HN 0.007 nan 8.270 nan 0.000 0.402 1357 P HA 0.135 nan 4.420 nan 0.000 0.239 1357 P C -0.272 176.966 177.300 -0.104 0.000 1.188 1357 P CA 0.412 63.415 63.100 -0.162 0.000 0.794 1357 P CB 0.863 32.355 31.700 -0.347 0.000 0.937 1358 L N -0.716 120.495 121.223 -0.020 0.000 2.568 1358 L HA 0.494 4.834 4.340 -0.000 0.000 0.257 1358 L C -2.700 174.214 176.870 0.073 0.000 1.024 1358 L CA -2.515 52.344 54.840 0.032 0.000 0.854 1358 L CB 2.589 44.659 42.059 0.019 0.000 1.460 1358 L HN -0.339 nan 8.230 nan 0.000 0.409 1359 P HA 0.124 nan 4.420 nan 0.000 0.274 1359 P C -0.813 176.258 177.300 -0.381 0.000 1.246 1359 P CA -0.410 62.590 63.100 -0.166 0.000 0.795 1359 P CB 0.657 32.286 31.700 -0.118 0.000 1.006 1360 A N 2.548 124.935 122.820 -0.720 0.000 2.563 1360 A HA 0.151 4.471 4.320 -0.000 0.000 0.256 1360 A C -1.973 175.367 177.584 -0.408 0.000 1.056 1360 A CA -0.342 51.089 52.037 -1.011 0.000 0.775 1360 A CB -1.781 16.835 19.000 -0.640 0.000 0.973 1360 A HN 0.386 nan 8.150 nan 0.000 0.516 1361 P HA 0.286 nan 4.420 nan 0.000 0.274 1361 P C -2.523 174.768 177.300 -0.015 0.000 1.246 1361 P CA -1.292 61.778 63.100 -0.051 0.000 0.795 1361 P CB -0.002 31.745 31.700 0.079 0.000 1.006 1362 P HA 0.068 nan 4.420 nan 0.000 0.269 1362 P C -0.308 177.013 177.300 0.034 0.000 1.215 1362 P CA 0.132 63.243 63.100 0.018 0.000 0.780 1362 P CB 0.262 31.974 31.700 0.020 0.000 0.898 1363 L N 2.066 123.306 121.223 0.027 0.000 2.540 1363 L HA 0.136 4.476 4.340 -0.000 0.000 0.276 1363 L C 1.708 178.592 176.870 0.022 0.000 1.212 1363 L CA 1.285 56.141 54.840 0.026 0.000 0.893 1363 L CB -0.848 41.222 42.059 0.019 0.000 1.138 1363 L HN 0.821 nan 8.230 nan 0.000 0.491 1364 G N 1.590 110.400 108.800 0.017 0.000 2.176 1364 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 1364 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 1364 G C 0.373 175.294 174.900 0.034 0.000 0.986 1364 G CA 0.020 45.127 45.100 0.012 0.000 0.643 1364 G HN 0.549 nan 8.290 nan 0.000 0.522 1365 T N 1.240 115.835 114.554 0.069 0.000 2.784 1365 T HA 0.399 4.749 4.350 -0.000 0.000 0.291 1365 T C 1.177 175.973 174.700 0.161 0.000 0.942 1365 T CA 0.831 63.004 62.100 0.122 0.000 1.161 1365 T CB 1.206 70.179 68.868 0.175 0.000 0.885 1365 T HN 0.461 nan 8.240 nan 0.000 0.534 1366 E N 1.851 122.129 120.200 0.130 0.000 2.389 1366 E HA 0.109 4.459 4.350 -0.000 0.000 0.199 1366 E C 0.442 177.150 176.600 0.180 0.000 0.978 1366 E CA 0.285 56.767 56.400 0.136 0.000 0.912 1366 E CB 0.772 30.516 29.700 0.074 0.000 0.907 1366 E HN 0.622 nan 8.360 nan 0.000 0.494 1367 E N 0.951 121.239 120.200 0.147 0.000 2.293 1367 E HA 0.347 4.697 4.350 -0.000 0.000 0.270 1367 E C -1.129 175.534 176.600 0.104 0.000 0.879 1367 E CA -0.644 55.823 56.400 0.113 0.000 0.756 1367 E CB 2.932 32.670 29.700 0.064 0.000 1.208 1367 E HN -0.084 nan 8.360 nan 0.000 0.428 1368 V N -0.787 119.166 119.914 0.066 0.000 3.074 1368 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 1368 V C -0.572 175.508 176.094 -0.023 0.000 1.117 1368 V CA -0.935 61.384 62.300 0.031 0.000 1.014 1368 V CB 2.152 33.985 31.823 0.016 0.000 1.057 1368 V HN 0.515 nan 8.190 nan 0.000 0.438 1369 E N 2.423 122.604 120.200 -0.031 0.000 2.081 1369 E HA 0.542 4.892 4.350 -0.000 0.000 0.281 1369 E C -0.868 175.687 176.600 -0.074 0.000 0.986 1369 E CA -0.117 56.257 56.400 -0.044 0.000 0.796 1369 E CB 1.701 31.386 29.700 -0.026 0.000 1.085 1369 E HN 0.621 nan 8.360 nan 0.000 0.398 1370 L N 1.635 122.805 121.223 -0.089 0.000 2.365 1370 L HA 0.222 4.562 4.340 -0.000 0.000 0.267 1370 L C 1.994 178.818 176.870 -0.076 0.000 1.033 1370 L CA -0.534 54.241 54.840 -0.107 0.000 0.802 1370 L CB 0.831 42.807 42.059 -0.139 0.000 1.267 1370 L HN 0.531 nan 8.230 nan 0.000 0.457 1371 E N -0.390 119.767 120.200 -0.072 0.000 2.333 1371 E HA -0.162 4.188 4.350 -0.000 0.000 0.198 1371 E C 1.042 177.612 176.600 -0.049 0.000 1.007 1371 E CA 1.392 57.763 56.400 -0.050 0.000 0.845 1371 E CB 0.029 29.704 29.700 -0.041 0.000 0.766 1371 E HN 0.634 nan 8.360 nan 0.000 0.507 1372 S N -0.486 115.175 115.700 -0.064 0.000 2.554 1372 S HA 0.494 4.964 4.470 -0.000 0.000 0.226 1372 S C 0.630 175.196 174.600 -0.057 0.000 0.980 1372 S CA -0.125 58.039 58.200 -0.060 0.000 0.939 1372 S CB 0.935 64.091 63.200 -0.074 0.000 0.832 1372 S HN 0.583 nan 8.310 nan 0.000 0.486 1373 G N 1.134 109.900 108.800 -0.056 0.000 2.355 1373 G HA2 0.080 4.040 3.960 -0.000 0.000 0.619 1373 G HA3 0.080 4.040 3.960 -0.000 0.000 0.619 1373 G C -1.266 173.602 174.900 -0.054 0.000 1.337 1373 G CA -1.328 43.743 45.100 -0.048 0.000 0.993 1373 G HN 0.363 nan 8.290 nan 0.000 0.599 1374 R N 0.126 120.601 120.500 -0.040 0.000 2.643 1374 R HA 0.553 4.893 4.340 -0.000 0.000 0.270 1374 R C -0.016 176.257 176.300 -0.045 0.000 1.061 1374 R CA 0.071 56.150 56.100 -0.036 0.000 1.107 1374 R CB 0.947 31.237 30.300 -0.017 0.000 0.999 1374 R HN 0.522 nan 8.270 nan 0.000 0.460 1375 K N -0.126 120.246 120.400 -0.047 0.000 2.512 1375 K HA 0.365 4.685 4.320 -0.000 0.000 0.263 1375 K C -0.802 175.791 176.600 -0.012 0.000 0.966 1375 K CA -0.484 55.770 56.287 -0.055 0.000 0.851 1375 K CB 1.947 34.381 32.500 -0.110 0.000 1.395 1375 K HN 0.662 nan 8.250 nan 0.000 0.440 1376 G N 1.417 110.222 108.800 0.008 0.000 2.491 1376 G HA2 0.023 3.983 3.960 -0.000 0.000 0.242 1376 G HA3 0.023 3.983 3.960 -0.000 0.000 0.242 1376 G C 0.535 175.518 174.900 0.139 0.000 1.266 1376 G CA 0.093 45.241 45.100 0.080 0.000 0.844 1376 G HN 0.778 nan 8.290 nan 0.000 0.571 1377 H N 2.075 121.227 119.070 0.137 0.000 2.265 1377 H HA -0.173 4.383 4.556 -0.000 0.000 0.293 1377 H C 2.483 177.993 175.328 0.305 0.000 1.089 1377 H CA 2.311 58.523 56.048 0.273 0.000 1.244 1377 H CB 0.030 29.939 29.762 0.245 0.000 1.355 1377 H HN 0.693 nan 8.280 nan 0.000 0.485 1378 R N 0.503 121.286 120.500 0.471 0.000 2.094 1378 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 1378 R C 2.560 179.037 176.300 0.294 0.000 1.137 1378 R CA 2.222 58.550 56.100 0.381 0.000 0.943 1378 R CB -0.324 30.145 30.300 0.280 0.000 0.850 1378 R HN 0.478 nan 8.270 nan 0.000 0.433 1379 E N -0.680 119.640 120.200 0.199 0.000 2.110 1379 E HA -0.182 4.168 4.350 -0.000 0.000 0.193 1379 E C 1.774 178.330 176.600 -0.073 0.000 0.988 1379 E CA 1.156 57.568 56.400 0.020 0.000 0.804 1379 E CB -0.077 29.481 29.700 -0.237 0.000 0.745 1379 E HN 0.535 nan 8.360 nan 0.000 0.458 1380 A N -0.196 122.560 122.820 -0.107 0.000 1.930 1380 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 1380 A C 1.611 178.954 177.584 -0.401 0.000 1.175 1380 A CA 1.000 52.853 52.037 -0.306 0.000 0.627 1380 A CB -0.409 18.332 19.000 -0.431 0.000 0.815 1380 A HN 0.309 nan 8.150 nan 0.000 0.443 1381 F N -2.215 117.707 119.950 -0.047 0.000 2.749 1381 F HA 0.288 4.815 4.527 -0.000 0.000 0.300 1381 F C 1.607 177.420 175.800 0.023 0.000 1.103 1381 F CA 0.109 58.104 58.000 -0.008 0.000 1.342 1381 F CB 0.344 39.326 39.000 -0.031 0.000 1.098 1381 F HN 0.190 nan 8.300 nan 0.000 0.586 1382 I N -1.067 119.613 120.570 0.183 0.000 3.939 1382 I HA -0.032 4.138 4.170 -0.000 0.000 0.313 1382 I C 2.051 178.204 176.117 0.059 0.000 1.274 1382 I CA 0.955 62.319 61.300 0.107 0.000 1.301 1382 I CB -0.438 37.627 38.000 0.109 0.000 1.105 1382 I HN -0.108 nan 8.210 nan 0.000 0.427 1383 T N 1.119 115.733 114.554 0.101 0.000 2.759 1383 T HA -0.155 4.195 4.350 -0.000 0.000 0.269 1383 T C 1.881 176.663 174.700 0.136 0.000 1.042 1383 T CA 1.644 63.805 62.100 0.101 0.000 1.140 1383 T CB -0.313 68.536 68.868 -0.031 0.000 0.864 1383 T HN 0.262 nan 8.240 nan 0.000 0.455 1384 L N 1.094 122.381 121.223 0.107 0.000 2.291 1384 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 1384 L C 2.823 179.852 176.870 0.264 0.000 1.120 1384 L CA 1.381 56.361 54.840 0.234 0.000 0.799 1384 L CB -0.741 41.395 42.059 0.129 0.000 0.925 1384 L HN 0.471 nan 8.230 nan 0.000 0.446 1385 T N -3.134 111.496 114.554 0.127 0.000 3.018 1385 T HA 0.029 4.379 4.350 -0.000 0.000 0.246 1385 T C 1.723 176.376 174.700 -0.077 0.000 1.026 1385 T CA 0.306 62.472 62.100 0.111 0.000 1.081 1385 T CB -0.360 68.550 68.868 0.070 0.000 0.970 1385 T HN 0.192 nan 8.240 nan 0.000 0.475 1386 L N 0.934 122.015 121.223 -0.237 0.000 2.127 1386 L HA 0.194 4.534 4.340 -0.000 0.000 0.211 1386 L C -0.904 175.719 176.870 -0.411 0.000 1.089 1386 L CA 1.477 56.033 54.840 -0.474 0.000 0.757 1386 L CB -2.389 39.122 42.059 -0.913 0.000 0.899 1386 L HN 0.134 nan 8.230 nan 0.000 0.434 1387 P HA -0.110 nan 4.420 nan 0.000 0.217 1387 P C 1.380 178.292 177.300 -0.646 0.000 1.150 1387 P CA 1.528 64.220 63.100 -0.681 0.000 0.832 1387 P CB -0.149 30.895 31.700 -1.092 0.000 0.787 1388 F N -0.290 119.597 119.950 -0.104 0.000 2.367 1388 F HA -0.045 4.482 4.527 -0.000 0.000 0.298 1388 F C 2.343 178.084 175.800 -0.100 0.000 1.094 1388 F CA 1.172 59.114 58.000 -0.096 0.000 1.409 1388 F CB -1.630 37.304 39.000 -0.110 0.000 1.064 1388 F HN -0.035 nan 8.300 nan 0.000 0.528 1389 S N 0.195 115.878 115.700 -0.028 0.000 2.406 1389 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 1389 S C 1.916 176.625 174.600 0.181 0.000 1.030 1389 S CA 0.534 58.703 58.200 -0.052 0.000 0.958 1389 S CB -0.939 62.218 63.200 -0.072 0.000 0.811 1389 S HN 0.303 nan 8.310 nan 0.000 0.489 1390 L N 1.485 122.772 121.223 0.106 0.000 2.042 1390 L HA 0.149 4.489 4.340 -0.000 0.000 0.210 1390 L C 1.884 178.806 176.870 0.088 0.000 1.076 1390 L CA 1.706 56.630 54.840 0.140 0.000 0.749 1390 L CB -0.483 41.644 42.059 0.113 0.000 0.893 1390 L HN 0.350 nan 8.230 nan 0.000 0.432 1391 L N -0.849 120.416 121.223 0.071 0.000 2.592 1391 L HA 0.291 4.631 4.340 -0.000 0.000 0.227 1391 L C 1.544 178.545 176.870 0.218 0.000 1.127 1391 L CA 0.459 55.364 54.840 0.109 0.000 0.884 1391 L CB -0.728 41.378 42.059 0.078 0.000 1.065 1391 L HN 0.509 nan 8.230 nan 0.000 0.457 1392 G N 1.148 110.080 108.800 0.221 0.000 2.166 1392 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 1392 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 1392 G C 0.420 175.253 174.900 -0.112 0.000 0.986 1392 G CA 0.403 45.658 45.100 0.257 0.000 0.683 1392 G HN 0.284 nan 8.290 nan 0.000 0.527 1393 V N -1.789 118.106 119.914 -0.032 0.000 2.649 1393 V HA 0.681 4.801 4.120 -0.000 0.000 0.292 1393 V C -1.254 174.775 176.094 -0.108 0.000 1.055 1393 V CA -2.250 59.987 62.300 -0.105 0.000 1.023 1393 V CB 1.227 33.094 31.823 0.074 0.000 0.992 1393 V HN 0.178 nan 8.190 nan 0.000 0.480 1394 P HA 0.181 nan 4.420 nan 0.000 0.263 1394 P C -0.301 176.985 177.300 -0.023 0.000 1.195 1394 P CA 0.479 63.529 63.100 -0.083 0.000 0.762 1394 P CB 0.438 32.197 31.700 0.099 0.000 0.799 1395 T N 4.168 118.660 114.554 -0.104 0.000 3.011 1395 T HA 0.390 4.740 4.350 -0.000 0.000 0.303 1395 T C -0.521 174.238 174.700 0.098 0.000 0.997 1395 T CA -0.442 61.641 62.100 -0.028 0.000 1.007 1395 T CB 1.108 69.915 68.868 -0.101 0.000 1.017 1395 T HN 0.231 nan 8.240 nan 0.000 0.443 1396 L N 3.134 124.496 121.223 0.232 0.000 2.325 1396 L HA 0.899 5.239 4.340 -0.000 0.000 0.278 1396 L C -0.540 176.415 176.870 0.141 0.000 1.023 1396 L CA -0.437 54.592 54.840 0.315 0.000 0.811 1396 L CB 1.028 43.249 42.059 0.270 0.000 1.249 1396 L HN 0.782 nan 8.230 nan 0.000 0.431 1397 A N 5.592 128.498 122.820 0.144 0.000 2.318 1397 A HA 0.794 5.114 4.320 -0.000 0.000 0.317 1397 A C -1.572 176.084 177.584 0.120 0.000 1.159 1397 A CA -0.481 51.622 52.037 0.108 0.000 0.799 1397 A CB 0.782 19.843 19.000 0.101 0.000 1.194 1397 A HN 0.736 nan 8.150 nan 0.000 0.479 1398 L N 0.263 121.557 121.223 0.120 0.000 2.424 1398 L HA 0.805 5.145 4.340 -0.000 0.000 0.258 1398 L C -3.213 173.759 176.870 0.170 0.000 0.995 1398 L CA -2.941 51.974 54.840 0.125 0.000 0.821 1398 L CB 0.492 42.613 42.059 0.103 0.000 1.383 1398 L HN 0.204 nan 8.230 nan 0.000 0.410 1399 P HA 0.278 nan 4.420 nan 0.000 0.268 1399 P C -0.282 177.152 177.300 0.223 0.000 1.204 1399 P CA 0.296 63.491 63.100 0.159 0.000 0.768 1399 P CB 0.184 31.934 31.700 0.085 0.000 0.842 1400 F N 1.947 121.922 119.950 0.042 0.000 2.876 1400 F HA 0.737 5.265 4.527 0.000 0.000 0.344 1400 F C -0.086 175.735 175.800 0.035 0.000 1.029 1400 F CA -0.115 57.907 58.000 0.037 0.000 1.154 1400 F CB 0.419 39.450 39.000 0.051 0.000 1.040 1400 F HN 0.349 nan 8.300 nan 0.000 0.576 1401 A N 0.727 123.127 122.820 -0.699 0.000 2.536 1401 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 1401 A C -1.612 175.750 177.584 -0.370 0.000 1.119 1401 A CA -0.995 50.664 52.037 -0.630 0.000 0.654 1401 A CB 1.232 19.604 19.000 -1.047 0.000 1.291 1401 A HN 0.177 nan 8.150 nan 0.000 0.439 1402 K N -0.152 120.097 120.400 -0.252 0.000 2.464 1402 K HA 0.662 4.982 4.320 -0.000 0.000 0.253 1402 K C -1.785 174.739 176.600 -0.127 0.000 0.933 1402 K CA -0.710 55.485 56.287 -0.154 0.000 0.801 1402 K CB 2.692 35.133 32.500 -0.099 0.000 1.271 1402 K HN 0.381 nan 8.250 nan 0.000 0.430 1403 V N 2.853 122.709 119.914 -0.096 0.000 2.380 1403 V HA 0.148 4.268 4.120 -0.000 0.000 0.286 1403 V C -0.284 175.777 176.094 -0.054 0.000 1.015 1403 V CA -0.510 61.748 62.300 -0.070 0.000 0.834 1403 V CB 0.794 32.579 31.823 -0.062 0.000 1.009 1403 V HN 0.944 nan 8.190 nan 0.000 0.428 1404 E N 2.943 123.117 120.200 -0.044 0.000 2.637 1404 E HA -0.181 4.169 4.350 -0.000 0.000 0.265 1404 E C 0.708 177.287 176.600 -0.034 0.000 1.073 1404 E CA 0.749 57.128 56.400 -0.034 0.000 0.778 1404 E CB -1.182 28.500 29.700 -0.030 0.000 1.362 1404 E HN 1.585 nan 8.360 nan 0.000 0.413 1408 V N 0.824 120.712 119.914 -0.044 0.000 2.577 1408 V HA 0.795 4.915 4.120 -0.000 0.000 0.303 1408 V C 0.508 176.692 176.094 0.150 0.000 1.042 1408 V CA -0.094 62.216 62.300 0.017 0.000 0.872 1408 V CB 2.133 33.893 31.823 -0.106 0.000 0.998 1408 V HN 0.902 nan 8.190 nan 0.000 0.423 1409 G N 2.937 111.911 108.800 0.290 0.000 2.462 1409 G HA2 0.668 4.628 3.960 -0.000 0.000 0.319 1409 G HA3 0.668 4.628 3.960 -0.000 0.000 0.319 1409 G C -1.391 173.758 174.900 0.415 0.000 1.171 1409 G CA -0.503 44.809 45.100 0.354 0.000 0.920 1409 G HN 0.589 nan 8.290 nan 0.000 0.499 1410 L N -0.402 120.976 121.223 0.259 0.000 2.346 1410 L HA 0.511 4.851 4.340 -0.000 0.000 0.274 1410 L C -0.116 176.736 176.870 -0.029 0.000 1.007 1410 L CA -0.566 54.247 54.840 -0.046 0.000 0.818 1410 L CB 2.087 43.989 42.059 -0.261 0.000 1.284 1410 L HN 0.549 nan 8.230 nan 0.000 0.424 1411 Q N 3.116 122.862 119.800 -0.089 0.000 2.256 1411 Q HA 0.592 4.932 4.340 -0.000 0.000 0.257 1411 Q C -1.380 174.545 176.000 -0.125 0.000 0.936 1411 Q CA -0.796 54.955 55.803 -0.087 0.000 0.903 1411 Q CB 2.436 31.104 28.738 -0.117 0.000 1.263 1411 Q HN 0.515 nan 8.270 nan 0.000 0.440 1412 V N 3.425 123.289 119.914 -0.083 0.000 2.376 1412 V HA 0.303 4.423 4.120 -0.000 0.000 0.287 1412 V C -0.463 175.583 176.094 -0.080 0.000 1.015 1412 V CA -0.667 61.602 62.300 -0.052 0.000 0.834 1412 V CB 1.589 33.430 31.823 0.030 0.000 1.001 1412 V HN 0.492 nan 8.190 nan 0.000 0.428 1413 V N 4.243 124.057 119.914 -0.166 0.000 2.398 1413 V HA 0.863 4.983 4.120 -0.000 0.000 0.286 1413 V C 0.728 176.773 176.094 -0.081 0.000 1.026 1413 V CA -0.107 62.053 62.300 -0.235 0.000 0.868 1413 V CB 1.581 33.050 31.823 -0.590 0.000 0.982 1413 V HN 0.896 nan 8.190 nan 0.000 0.443 1414 G N 2.373 111.161 108.800 -0.020 0.000 2.685 1414 G HA2 0.747 4.707 3.960 -0.000 0.000 0.298 1414 G HA3 0.747 4.707 3.960 -0.000 0.000 0.298 1414 G C -0.339 174.588 174.900 0.045 0.000 1.277 1414 G CA -0.361 44.754 45.100 0.025 0.000 0.986 1414 G HN 1.024 nan 8.290 nan 0.000 0.487 1415 A N -0.653 122.206 122.820 0.065 0.000 2.406 1415 A HA 0.465 4.785 4.320 -0.000 0.000 0.243 1415 A C -0.171 177.502 177.584 0.147 0.000 1.082 1415 A CA -0.347 51.754 52.037 0.106 0.000 0.786 1415 A CB -0.052 19.004 19.000 0.095 0.000 1.029 1415 A HN 0.725 nan 8.150 nan 0.000 0.495 1416 Y N 0.437 120.779 120.300 0.070 0.000 2.810 1416 Y HA 0.217 4.767 4.550 0.000 0.000 0.332 1416 Y C 1.655 177.604 175.900 0.080 0.000 1.243 1416 Y CA 1.828 59.979 58.100 0.084 0.000 1.537 1416 Y CB 0.288 38.793 38.460 0.075 0.000 1.265 1416 Y HN 1.324 nan 8.280 nan 0.000 0.572 1417 G N 3.368 112.291 108.800 0.205 0.000 2.225 1417 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 1417 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 1417 G C 0.523 175.505 174.900 0.136 0.000 0.988 1417 G CA 0.321 45.538 45.100 0.195 0.000 0.625 1417 G HN 0.676 nan 8.290 nan 0.000 0.527 1418 E N 0.854 121.126 120.200 0.120 0.000 2.303 1418 E HA 0.238 4.588 4.350 -0.000 0.000 0.211 1418 E C 1.020 177.696 176.600 0.126 0.000 1.223 1418 E CA 0.130 56.590 56.400 0.101 0.000 1.344 1418 E CB -0.061 29.686 29.700 0.078 0.000 1.299 1418 E HN 0.548 nan 8.360 nan 0.000 0.441 1419 D N 0.641 121.144 120.400 0.171 0.000 2.116 1419 D HA -0.187 4.453 4.640 -0.000 0.000 0.193 1419 D C 2.067 178.451 176.300 0.141 0.000 0.998 1419 D CA 1.550 55.716 54.000 0.277 0.000 0.836 1419 D CB -0.219 40.782 40.800 0.335 0.000 0.951 1419 D HN 0.380 nan 8.370 nan 0.000 0.449 1420 G N 0.346 109.210 108.800 0.106 0.000 2.418 1420 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 1420 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 1420 G C 1.476 176.378 174.900 0.004 0.000 1.158 1420 G CA 0.914 46.047 45.100 0.055 0.000 0.771 1420 G HN 0.253 nan 8.290 nan 0.000 0.545 1421 K N -0.020 120.392 120.400 0.021 0.000 2.057 1421 K HA 0.006 4.326 4.320 -0.000 0.000 0.206 1421 K C 2.554 179.159 176.600 0.008 0.000 1.050 1421 K CA 1.026 57.313 56.287 0.000 0.000 0.935 1421 K CB -0.217 32.284 32.500 0.002 0.000 0.715 1421 K HN 0.158 nan 8.250 nan 0.000 0.439 1422 V N 1.754 121.692 119.914 0.040 0.000 2.343 1422 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 1422 V C 2.268 178.359 176.094 -0.006 0.000 1.051 1422 V CA 1.638 63.974 62.300 0.060 0.000 1.036 1422 V CB -0.336 31.580 31.823 0.155 0.000 0.654 1422 V HN 0.326 nan 8.190 nan 0.000 0.451 1423 L N -0.178 120.980 121.223 -0.108 0.000 2.093 1423 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 1423 L C 2.688 179.514 176.870 -0.074 0.000 1.085 1423 L CA 1.397 56.131 54.840 -0.178 0.000 0.755 1423 L CB -0.746 41.158 42.059 -0.257 0.000 0.904 1423 L HN 0.348 nan 8.230 nan 0.000 0.435 1424 A N 0.192 122.980 122.820 -0.054 0.000 1.877 1424 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 1424 A C 2.243 179.867 177.584 0.067 0.000 1.186 1424 A CA 1.369 53.395 52.037 -0.018 0.000 0.620 1424 A CB -0.690 18.288 19.000 -0.037 0.000 0.822 1424 A HN 0.337 nan 8.150 nan 0.000 0.443 1425 L N -0.661 120.603 121.223 0.067 0.000 2.083 1425 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 1425 L C 2.817 179.836 176.870 0.248 0.000 1.083 1425 L CA 1.021 55.956 54.840 0.159 0.000 0.752 1425 L CB -0.743 41.415 42.059 0.165 0.000 0.899 1425 L HN 0.500 nan 8.230 nan 0.000 0.433 1426 G N -0.369 108.517 108.800 0.142 0.000 2.418 1426 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 1426 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 1426 G C 1.587 176.564 174.900 0.128 0.000 1.158 1426 G CA 0.725 45.895 45.100 0.116 0.000 0.771 1426 G HN 0.485 nan 8.290 nan 0.000 0.545 1427 G N -0.309 108.558 108.800 0.112 0.000 2.408 1427 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 1427 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 1427 G C 1.560 176.551 174.900 0.151 0.000 1.150 1427 G CA 0.808 45.966 45.100 0.096 0.000 0.776 1427 G HN 0.475 nan 8.290 nan 0.000 0.542 1428 W N 1.029 122.345 121.300 0.028 0.000 2.355 1428 W HA 0.004 4.664 4.660 0.000 0.000 0.309 1428 W C 2.308 178.861 176.519 0.056 0.000 1.206 1428 W CA 1.232 58.605 57.345 0.046 0.000 1.284 1428 W CB -0.157 29.346 29.460 0.072 0.000 1.145 1428 W HN 0.127 nan 8.180 nan 0.000 0.502 1429 L N 0.122 121.590 121.223 0.408 0.000 2.044 1429 L HA -0.190 4.150 4.340 -0.000 0.000 0.205 1429 L C 2.585 179.478 176.870 0.039 0.000 1.075 1429 L CA 1.935 56.903 54.840 0.214 0.000 0.747 1429 L CB -1.172 41.008 42.059 0.201 0.000 0.903 1429 L HN 0.053 nan 8.230 nan 0.000 0.435 1430 E N 0.656 120.892 120.200 0.061 0.000 2.097 1430 E HA -0.307 4.043 4.350 -0.000 0.000 0.196 1430 E C 2.119 178.708 176.600 -0.019 0.000 1.000 1430 E CA 1.504 57.922 56.400 0.031 0.000 0.804 1430 E CB -0.018 29.707 29.700 0.042 0.000 0.740 1430 E HN 0.479 nan 8.360 nan 0.000 0.454 1431 A N 0.817 123.599 122.820 -0.062 0.000 1.969 1431 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 1431 A C 2.008 179.504 177.584 -0.146 0.000 1.169 1431 A CA 1.190 53.163 52.037 -0.106 0.000 0.635 1431 A CB -0.222 18.692 19.000 -0.143 0.000 0.810 1431 A HN 0.186 nan 8.150 nan 0.000 0.445 1432 R N -1.208 119.172 120.500 -0.200 0.000 2.334 1432 R HA 0.410 4.750 4.340 -0.000 0.000 0.216 1432 R C -0.223 176.020 176.300 -0.096 0.000 0.905 1432 R CA -0.191 55.787 56.100 -0.203 0.000 1.064 1432 R CB 0.044 30.123 30.300 -0.370 0.000 1.046 1432 R HN 0.380 nan 8.270 nan 0.000 0.508 1433 L N -1.297 119.899 121.223 -0.046 0.000 2.347 1433 L HA 0.513 4.853 4.340 -0.000 0.000 0.268 1433 L C 1.036 177.907 176.870 0.002 0.000 1.019 1433 L CA -1.055 53.791 54.840 0.009 0.000 0.806 1433 L CB 0.825 42.923 42.059 0.064 0.000 1.339 1433 L HN 0.008 nan 8.230 nan 0.000 0.463 1434 G N 0.000 108.807 108.800 0.012 0.000 5.446 1434 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 1434 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 1434 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 1434 G HN 0.000 nan 8.290 nan 0.000 0.925