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 1u8c_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GPNIcTTRGV SSCQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE XXXIEFPVSE ARVLEDRPLS DKGSGDSSQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXcDDFScVR YKGEMcSGHG QcScGDcLcD DATA SEQUENCE SDWTGYYcNc TTRTDTcMSS NGLLcSGRGK cEcGScVcIQ PGSYGDTcEK DATA SEQUENCE CPTCPDAcTF KKEcVEcKKF DREPYMTENT cNRYcRDEIE SVKELKDTGK DATA SEQUENCE DAVNcTYKNE DDcVVRFQYY EDSSGKSILY VVEEPEcPKG 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1001 G C 0.000 174.883 174.900 -0.029 0.000 0.946 1001 G CA 0.000 45.083 45.100 -0.028 0.000 0.502 1002 P HA 0.211 nan 4.420 nan 0.000 0.268 1002 P C -0.462 176.828 177.300 -0.017 0.000 1.485 1002 P CA 0.083 63.169 63.100 -0.024 0.000 1.102 1002 P CB 0.877 32.565 31.700 -0.021 0.000 1.501 1003 N N 1.326 120.016 118.700 -0.017 0.000 3.550 1003 N HA 0.383 5.123 4.740 0.000 0.000 0.357 1003 N C 1.650 177.156 175.510 -0.006 0.000 1.585 1003 N CA -0.829 52.214 53.050 -0.011 0.000 0.651 1003 N CB -0.131 38.349 38.487 -0.011 0.000 2.273 1003 N HN -0.017 nan 8.380 nan 0.000 0.631 1004 I N 0.646 121.214 120.570 -0.003 0.000 2.103 1004 I HA -0.434 3.736 4.170 0.000 0.000 0.241 1004 I C 1.741 177.863 176.117 0.010 0.000 1.036 1004 I CA 1.556 62.858 61.300 0.003 0.000 1.300 1004 I CB -0.509 37.494 38.000 0.005 0.000 1.010 1004 I HN 0.464 nan 8.210 nan 0.000 0.406 1005 c N 0.097 118.701 118.600 0.006 0.000 2.425 1005 c HA -0.124 4.446 4.570 0.000 0.000 0.277 1005 c C 3.008 177.106 174.090 0.014 0.000 1.280 1005 c CA 1.344 57.682 56.329 0.015 0.000 1.744 1005 c CB -1.358 41.150 42.510 -0.003 0.000 1.989 1005 c HN 0.561 nan 8.230 nan 0.000 0.491 1006 T N 1.092 115.643 114.554 -0.005 0.000 2.674 1006 T HA -0.163 4.187 4.350 0.000 0.000 0.265 1006 T C 1.835 176.538 174.700 0.004 0.000 1.039 1006 T CA 2.259 64.352 62.100 -0.012 0.000 1.150 1006 T CB -0.624 68.231 68.868 -0.021 0.000 0.864 1006 T HN 0.583 nan 8.240 nan 0.000 0.427 1007 T N 1.800 116.358 114.554 0.007 0.000 2.881 1007 T HA -0.040 4.310 4.350 0.000 0.000 0.270 1007 T C 1.366 176.081 174.700 0.024 0.000 1.068 1007 T CA 0.966 63.073 62.100 0.012 0.000 1.131 1007 T CB -0.105 68.768 68.868 0.008 0.000 0.871 1007 T HN 0.363 nan 8.240 nan 0.000 0.479 1008 R N 0.165 120.685 120.500 0.034 0.000 2.748 1008 R HA 0.399 4.740 4.340 0.000 0.000 0.395 1008 R C 1.491 177.839 176.300 0.080 0.000 1.128 1008 R CA -0.204 55.925 56.100 0.048 0.000 1.042 1008 R CB 0.741 31.064 30.300 0.038 0.000 1.392 1008 R HN 0.289 nan 8.270 nan 0.000 0.582 1009 G N -0.280 108.577 108.800 0.096 0.000 2.828 1009 G HA2 -0.053 3.907 3.960 0.000 0.000 0.201 1009 G HA3 -0.053 3.907 3.960 0.000 0.000 0.201 1009 G C 1.213 176.260 174.900 0.245 0.000 1.102 1009 G CA 0.023 45.231 45.100 0.180 0.000 0.815 1009 G HN 0.055 nan 8.290 nan 0.000 0.590 1010 V N 2.911 122.904 119.914 0.132 0.000 2.277 1010 V HA -0.360 3.760 4.120 0.000 0.000 0.261 1010 V C 3.164 179.383 176.094 0.209 0.000 1.091 1010 V CA 2.789 65.164 62.300 0.125 0.000 1.090 1010 V CB -1.513 30.351 31.823 0.067 0.000 0.704 1010 V HN 0.626 nan 8.190 nan 0.000 0.455 1011 S N 1.199 116.999 115.700 0.166 0.000 2.548 1011 S HA -0.177 4.293 4.470 0.000 0.000 0.252 1011 S C 0.827 175.518 174.600 0.152 0.000 1.076 1011 S CA 1.597 59.872 58.200 0.125 0.000 1.395 1011 S CB -0.613 62.628 63.200 0.068 0.000 1.230 1011 S HN 1.446 nan 8.310 nan 0.000 0.418 1012 S N -2.200 113.521 115.700 0.036 0.000 2.587 1012 S HA 0.428 4.898 4.470 0.000 0.000 0.269 1012 S C 0.514 174.639 174.600 -0.791 0.000 1.154 1012 S CA -0.452 57.544 58.200 -0.340 0.000 0.824 1012 S CB 0.672 63.733 63.200 -0.233 0.000 1.118 1012 S HN 0.976 nan 8.310 nan 0.000 0.462 1013 C N 1.535 119.842 119.300 -1.656 0.000 2.318 1013 C HA -0.244 4.216 4.460 0.000 0.000 0.272 1013 C C 2.606 177.331 174.990 -0.441 0.000 1.156 1013 C CA 2.462 60.750 59.018 -1.217 0.000 1.783 1013 C CB -1.733 25.370 27.740 -1.062 0.000 2.023 1013 C HN 0.867 nan 8.230 nan 0.000 0.437 1014 Q N -0.018 119.581 119.800 -0.335 0.000 1.968 1014 Q HA -0.338 4.002 4.340 0.000 0.000 0.216 1014 Q C 2.088 178.030 176.000 -0.096 0.000 1.037 1014 Q CA 2.860 58.565 55.803 -0.163 0.000 0.889 1014 Q CB -1.184 27.474 28.738 -0.132 0.000 0.998 1014 Q HN 0.898 nan 8.270 nan 0.000 0.417 1015 Q N 0.293 120.043 119.800 -0.083 0.000 2.170 1015 Q HA -0.117 4.223 4.340 0.000 0.000 0.203 1015 Q C 2.193 178.206 176.000 0.022 0.000 0.976 1015 Q CA 1.719 57.511 55.803 -0.019 0.000 0.858 1015 Q CB -0.803 27.934 28.738 -0.002 0.000 0.907 1015 Q HN 0.539 nan 8.270 nan 0.000 0.433 1016 c N -0.757 117.865 118.600 0.037 0.000 2.425 1016 c HA -0.055 4.515 4.570 0.000 0.000 0.277 1016 c C 2.309 176.465 174.090 0.110 0.000 1.280 1016 c CA 0.838 57.253 56.329 0.143 0.000 1.744 1016 c CB -1.058 41.667 42.510 0.359 0.000 1.989 1016 c HN 0.650 nan 8.230 nan 0.000 0.491 1017 L N 1.060 122.325 121.223 0.070 0.000 2.127 1017 L HA 0.087 4.427 4.340 0.000 0.000 0.203 1017 L C 3.017 179.926 176.870 0.065 0.000 1.080 1017 L CA 1.239 56.130 54.840 0.086 0.000 0.768 1017 L CB -0.946 41.155 42.059 0.070 0.000 0.924 1017 L HN 0.316 nan 8.230 nan 0.000 0.444 1018 A N -0.099 122.743 122.820 0.037 0.000 2.194 1018 A HA -0.102 4.218 4.320 0.000 0.000 0.220 1018 A C 2.200 179.804 177.584 0.035 0.000 1.162 1018 A CA 1.343 53.398 52.037 0.029 0.000 0.674 1018 A CB -0.647 18.359 19.000 0.010 0.000 0.789 1018 A HN 0.229 nan 8.150 nan 0.000 0.470 1019 V N -1.252 118.690 119.914 0.045 0.000 2.278 1019 V HA 0.076 4.197 4.120 0.000 0.000 0.238 1019 V C 1.238 177.358 176.094 0.043 0.000 1.039 1019 V CA 1.675 64.000 62.300 0.041 0.000 1.017 1019 V CB -0.293 31.558 31.823 0.047 0.000 0.657 1019 V HN 0.557 nan 8.190 nan 0.000 0.462 1020 S N -0.581 115.153 115.700 0.057 0.000 2.536 1020 S HA 0.425 4.895 4.470 0.000 0.000 0.271 1020 S C -2.561 172.096 174.600 0.094 0.000 1.134 1020 S CA -0.973 57.264 58.200 0.062 0.000 0.897 1020 S CB 2.188 65.416 63.200 0.047 0.000 1.094 1020 S HN 0.176 nan 8.310 nan 0.000 0.473 1021 P HA 0.080 nan 4.420 nan 0.000 0.247 1021 P C 0.497 177.919 177.300 0.202 0.000 1.225 1021 P CA 0.316 63.506 63.100 0.150 0.000 0.768 1021 P CB -0.014 31.748 31.700 0.103 0.000 1.020 1022 M N -1.494 118.187 119.600 0.135 0.000 2.419 1022 M HA 0.129 4.609 4.480 0.000 0.000 0.252 1022 M C 0.697 177.019 176.300 0.038 0.000 1.143 1022 M CA -0.324 55.041 55.300 0.108 0.000 0.985 1022 M CB -0.945 31.691 32.600 0.061 0.000 1.489 1022 M HN -0.037 nan 8.290 nan 0.000 0.484 1023 c N 0.277 118.905 118.600 0.047 0.000 2.768 1023 c HA 0.983 5.553 4.570 0.000 0.000 0.411 1023 c C 0.628 174.583 174.090 -0.224 0.000 1.793 1023 c CA -0.442 55.856 56.329 -0.051 0.000 1.747 1023 c CB 1.673 44.202 42.510 0.032 0.000 2.128 1023 c HN 0.560 nan 8.230 nan 0.000 0.472 1024 A N -0.657 122.063 122.820 -0.166 0.000 2.544 1024 A HA 0.750 5.070 4.320 0.000 0.000 0.291 1024 A C -2.142 175.494 177.584 0.087 0.000 1.055 1024 A CA -0.323 51.596 52.037 -0.197 0.000 0.651 1024 A CB 0.620 19.198 19.000 -0.702 0.000 1.296 1024 A HN 0.971 nan 8.150 nan 0.000 0.431 1025 W N -0.172 121.094 121.300 -0.056 0.000 3.118 1025 W HA 0.636 5.297 4.660 0.001 0.000 0.328 1025 W C -1.750 174.768 176.519 -0.001 0.000 1.239 1025 W CA -0.488 56.845 57.345 -0.019 0.000 1.176 1025 W CB 1.831 31.298 29.460 0.013 0.000 1.433 1025 W HN 1.343 nan 8.180 nan 0.000 0.562 1026 c N 3.510 122.063 118.600 -0.079 0.000 3.199 1026 c HA 0.611 5.181 4.570 0.000 0.000 0.392 1026 c C -0.884 173.175 174.090 -0.051 0.000 1.050 1026 c CA -0.006 56.348 56.329 0.042 0.000 1.222 1026 c CB 0.824 43.322 42.510 -0.020 0.000 1.595 1026 c HN 0.780 nan 8.230 nan 0.000 0.560 1027 S N 3.973 119.730 115.700 0.094 0.000 2.849 1027 S HA 0.328 4.798 4.470 0.000 0.000 0.298 1027 S C -1.114 173.559 174.600 0.121 0.000 0.739 1027 S CA 0.085 58.328 58.200 0.073 0.000 0.730 1027 S CB 0.473 63.701 63.200 0.047 0.000 0.937 1027 S HN 0.891 nan 8.310 nan 0.000 0.551 1028 D N 1.661 122.106 120.400 0.075 0.000 2.906 1028 D HA 0.293 4.934 4.640 0.000 0.000 0.162 1028 D C 1.241 177.571 176.300 0.049 0.000 1.360 1028 D CA -0.233 53.808 54.000 0.069 0.000 1.565 1028 D CB -0.344 40.491 40.800 0.060 0.000 1.429 1028 D HN 0.405 nan 8.370 nan 0.000 0.185 1029 E N 0.930 121.151 120.200 0.036 0.000 2.059 1029 E HA -0.245 4.105 4.350 0.000 0.000 0.237 1029 E C 0.520 177.135 176.600 0.025 0.000 1.023 1029 E CA 2.201 58.617 56.400 0.026 0.000 0.918 1029 E CB -0.291 29.421 29.700 0.020 0.000 0.824 1029 E HN 0.325 nan 8.360 nan 0.000 0.534 1030 A N -0.477 122.354 122.820 0.019 0.000 2.574 1030 A HA 0.207 4.527 4.320 0.000 0.000 0.246 1030 A C 0.364 177.952 177.584 0.007 0.000 1.025 1030 A CA 0.115 52.161 52.037 0.015 0.000 1.043 1030 A CB -0.740 18.267 19.000 0.012 0.000 1.177 1030 A HN 0.268 nan 8.150 nan 0.000 0.526 1031 L N 0.398 121.624 121.223 0.004 0.000 2.601 1031 L HA 0.389 4.729 4.340 0.000 0.000 0.277 1031 L C -1.623 175.238 176.870 -0.015 0.000 1.219 1031 L CA -1.085 53.751 54.840 -0.006 0.000 0.915 1031 L CB -0.616 41.438 42.059 -0.008 0.000 1.160 1031 L HN 0.137 nan 8.230 nan 0.000 0.494 1032 P HA 0.444 nan 4.420 nan 0.000 0.293 1032 P C -0.890 176.386 177.300 -0.041 0.000 1.298 1032 P CA -0.562 62.523 63.100 -0.025 0.000 0.757 1032 P CB 1.491 33.180 31.700 -0.020 0.000 1.262 1033 L N -2.348 118.848 121.223 -0.046 0.000 2.983 1033 L HA 0.272 4.612 4.340 0.000 0.000 0.249 1033 L C 0.327 177.162 176.870 -0.058 0.000 0.963 1033 L CA 0.098 54.901 54.840 -0.061 0.000 1.011 1033 L CB 1.057 43.062 42.059 -0.091 0.000 1.607 1033 L HN 0.728 nan 8.230 nan 0.000 0.447 1034 G N 0.865 109.632 108.800 -0.055 0.000 3.079 1034 G HA2 0.225 4.185 3.960 0.000 0.000 0.233 1034 G HA3 0.225 4.185 3.960 0.000 0.000 0.233 1034 G C 0.152 175.018 174.900 -0.056 0.000 1.062 1034 G CA 0.257 45.328 45.100 -0.048 0.000 0.809 1034 G HN 0.424 nan 8.290 nan 0.000 0.535 1035 S N 1.209 116.866 115.700 -0.071 0.000 2.608 1035 S HA 0.572 5.042 4.470 0.000 0.000 0.291 1035 S C -2.444 172.090 174.600 -0.109 0.000 1.146 1035 S CA -0.922 57.231 58.200 -0.079 0.000 1.043 1035 S CB 1.857 65.011 63.200 -0.076 0.000 1.037 1035 S HN -0.032 nan 8.310 nan 0.000 0.520 1036 P HA 0.009 nan 4.420 nan 0.000 0.269 1036 P C 0.438 177.602 177.300 -0.226 0.000 1.185 1036 P CA 0.067 63.084 63.100 -0.140 0.000 0.769 1036 P CB 0.407 32.043 31.700 -0.105 0.000 0.809 1037 R N 0.395 120.692 120.500 -0.339 0.000 2.312 1037 R HA 0.147 4.487 4.340 0.000 0.000 0.205 1037 R C 0.295 176.186 176.300 -0.680 0.000 0.904 1037 R CA 0.361 56.083 56.100 -0.629 0.000 1.052 1037 R CB -0.720 29.005 30.300 -0.959 0.000 1.014 1037 R HN 0.404 nan 8.270 nan 0.000 0.503 1038 c N 1.753 120.154 118.600 -0.331 0.000 2.356 1038 c HA 0.576 5.146 4.570 0.000 0.000 0.324 1038 c C -0.928 173.115 174.090 -0.078 0.000 1.167 1038 c CA -0.436 55.834 56.329 -0.097 0.000 1.420 1038 c CB -0.447 42.131 42.510 0.114 0.000 2.036 1038 c HN 0.337 nan 8.230 nan 0.000 0.435 1039 D N 2.007 122.345 120.400 -0.103 0.000 2.867 1039 D HA 0.502 5.143 4.640 0.000 0.000 0.308 1039 D C -0.702 175.509 176.300 -0.148 0.000 1.202 1039 D CA -0.553 53.384 54.000 -0.106 0.000 1.035 1039 D CB 0.905 41.637 40.800 -0.112 0.000 1.427 1039 D HN 0.336 nan 8.370 nan 0.000 0.570 1040 L N 1.047 122.189 121.223 -0.134 0.000 2.934 1040 L HA 0.361 4.701 4.340 0.000 0.000 0.233 1040 L C 1.286 178.041 176.870 -0.191 0.000 1.358 1040 L CA -0.144 54.598 54.840 -0.162 0.000 1.233 1040 L CB -0.834 41.177 42.059 -0.081 0.000 1.594 1040 L HN 0.400 nan 8.230 nan 0.000 0.439 1041 K N 1.082 121.323 120.400 -0.265 0.000 3.486 1041 K HA -0.389 3.931 4.320 0.000 0.000 0.242 1041 K C 1.712 178.250 176.600 -0.103 0.000 0.960 1041 K CA 2.288 58.451 56.287 -0.207 0.000 0.779 1041 K CB -0.417 31.913 32.500 -0.283 0.000 1.763 1041 K HN 0.710 nan 8.250 nan 0.000 0.489 1042 E N -0.867 119.281 120.200 -0.087 0.000 2.051 1042 E HA -0.064 4.286 4.350 0.000 0.000 0.189 1042 E C 1.355 177.924 176.600 -0.051 0.000 0.979 1042 E CA 0.951 57.324 56.400 -0.046 0.000 0.803 1042 E CB -0.071 29.613 29.700 -0.027 0.000 0.761 1042 E HN 0.435 nan 8.360 nan 0.000 0.451 1043 N N 0.770 119.432 118.700 -0.064 0.000 2.457 1043 N HA -0.084 4.656 4.740 0.000 0.000 0.180 1043 N C 1.843 177.313 175.510 -0.067 0.000 1.050 1043 N CA 0.470 53.486 53.050 -0.057 0.000 0.906 1043 N CB 0.239 38.693 38.487 -0.055 0.000 0.968 1043 N HN 0.308 nan 8.380 nan 0.000 0.445 1044 L N -0.158 121.014 121.223 -0.084 0.000 2.200 1044 L HA 0.077 4.417 4.340 0.000 0.000 0.200 1044 L C 2.025 178.851 176.870 -0.075 0.000 1.072 1044 L CA 0.463 55.246 54.840 -0.095 0.000 0.787 1044 L CB -0.264 41.717 42.059 -0.129 0.000 0.957 1044 L HN -0.115 nan 8.230 nan 0.000 0.459 1045 L N 1.048 122.233 121.223 -0.063 0.000 2.051 1045 L HA -0.228 4.113 4.340 0.000 0.000 0.214 1045 L C 1.921 178.772 176.870 -0.032 0.000 1.076 1045 L CA 1.722 56.539 54.840 -0.039 0.000 0.758 1045 L CB -0.504 41.540 42.059 -0.024 0.000 0.890 1045 L HN 0.215 nan 8.230 nan 0.000 0.433 1046 K N -0.244 120.136 120.400 -0.033 0.000 2.836 1046 K HA -0.031 4.290 4.320 0.000 0.000 0.236 1046 K C 0.106 176.686 176.600 -0.033 0.000 1.015 1046 K CA 0.491 56.761 56.287 -0.028 0.000 1.194 1046 K CB -0.564 31.921 32.500 -0.025 0.000 1.002 1046 K HN 0.246 nan 8.250 nan 0.000 0.479 1047 D N 0.291 120.667 120.400 -0.040 0.000 2.783 1047 D HA 0.059 4.699 4.640 0.000 0.000 0.306 1047 D C -0.990 175.282 176.300 -0.046 0.000 1.633 1047 D CA -0.068 53.905 54.000 -0.045 0.000 0.796 1047 D CB 0.107 40.871 40.800 -0.059 0.000 1.230 1047 D HN 0.204 nan 8.370 nan 0.000 0.441 1048 N N -0.436 118.242 118.700 -0.036 0.000 6.627 1048 N HA -0.224 4.516 4.740 0.000 0.000 0.413 1048 N C -0.236 175.254 175.510 -0.032 0.000 0.988 1048 N CA 0.732 53.764 53.050 -0.030 0.000 1.716 1048 N CB -0.808 37.661 38.487 -0.030 0.000 0.767 1048 N HN 0.308 nan 8.380 nan 0.000 0.427 1049 c N -0.229 118.359 118.600 -0.021 0.000 1.500 1049 c HA 0.253 4.823 4.570 0.000 0.000 0.228 1049 c C 0.345 174.437 174.090 0.002 0.000 0.664 1049 c CA 1.102 57.423 56.329 -0.012 0.000 3.225 1049 c CB -2.026 40.466 42.510 -0.031 0.000 1.911 1049 c HN 1.529 nan 8.230 nan 0.000 0.319 1055 E N 4.739 125.039 120.200 0.167 0.000 2.546 1055 E HA 0.402 4.753 4.350 0.000 0.000 0.227 1055 E C -1.377 175.396 176.600 0.288 0.000 1.009 1055 E CA -0.386 56.120 56.400 0.175 0.000 0.813 1055 E CB 0.701 30.500 29.700 0.165 0.000 1.269 1055 E HN 0.357 nan 8.360 nan 0.000 0.432 1056 F N 3.909 123.896 119.950 0.061 0.000 3.508 1056 F HA 0.397 4.925 4.527 0.001 0.000 0.414 1056 F C -2.809 173.015 175.800 0.039 0.000 1.119 1056 F CA -2.080 55.956 58.000 0.061 0.000 1.383 1056 F CB 0.240 39.279 39.000 0.066 0.000 2.460 1056 F HN 0.174 nan 8.300 nan 0.000 0.737 1057 P HA 0.461 nan 4.420 nan 0.000 0.271 1057 P C -1.206 175.829 177.300 -0.442 0.000 1.233 1057 P CA -0.254 62.686 63.100 -0.266 0.000 0.789 1057 P CB 1.166 32.810 31.700 -0.093 0.000 0.951 1058 V N 0.715 120.440 119.914 -0.314 0.000 2.569 1058 V HA 0.185 4.306 4.120 0.000 0.000 0.301 1058 V C 0.004 176.017 176.094 -0.135 0.000 1.044 1058 V CA -0.736 61.412 62.300 -0.254 0.000 0.874 1058 V CB 1.628 33.289 31.823 -0.270 0.000 1.002 1058 V HN 0.564 nan 8.190 nan 0.000 0.424 1059 S N 3.959 119.607 115.700 -0.086 0.000 2.560 1059 S HA 0.330 4.800 4.470 0.000 0.000 0.276 1059 S C -0.039 174.523 174.600 -0.063 0.000 1.350 1059 S CA -0.102 58.059 58.200 -0.064 0.000 1.024 1059 S CB 0.206 63.386 63.200 -0.035 0.000 0.864 1059 S HN 1.011 nan 8.310 nan 0.000 0.536 1060 E N -1.279 118.883 120.200 -0.064 0.000 2.389 1060 E HA 0.589 4.939 4.350 0.000 0.000 0.281 1060 E C -1.739 174.820 176.600 -0.069 0.000 1.072 1060 E CA -1.206 55.160 56.400 -0.057 0.000 0.845 1060 E CB 1.213 30.874 29.700 -0.064 0.000 1.239 1060 E HN 0.544 nan 8.360 nan 0.000 0.434 1061 A N 2.665 125.449 122.820 -0.059 0.000 2.709 1061 A HA 0.433 4.753 4.320 0.000 0.000 0.332 1061 A C -0.550 176.975 177.584 -0.099 0.000 1.241 1061 A CA -0.771 51.208 52.037 -0.097 0.000 0.782 1061 A CB 0.341 19.290 19.000 -0.084 0.000 1.109 1061 A HN 0.449 nan 8.150 nan 0.000 0.472 1062 R N 1.694 122.131 120.500 -0.105 0.000 2.248 1062 R HA 0.309 4.649 4.340 0.000 0.000 0.328 1062 R C -0.220 176.015 176.300 -0.108 0.000 1.067 1062 R CA -0.385 55.661 56.100 -0.089 0.000 0.924 1062 R CB 1.099 31.352 30.300 -0.078 0.000 1.013 1062 R HN 0.436 nan 8.270 nan 0.000 0.454 1063 V N 4.970 124.830 119.914 -0.089 0.000 2.872 1063 V HA -0.065 4.055 4.120 0.000 0.000 0.307 1063 V C 1.444 177.488 176.094 -0.083 0.000 1.072 1063 V CA 0.753 62.998 62.300 -0.093 0.000 1.148 1063 V CB 0.674 32.461 31.823 -0.059 0.000 0.954 1063 V HN 0.744 nan 8.190 nan 0.000 0.490 1064 L N 2.623 123.793 121.223 -0.087 0.000 3.086 1064 L HA 0.480 4.820 4.340 0.000 0.000 0.274 1064 L C 0.482 177.317 176.870 -0.059 0.000 1.184 1064 L CA 0.248 55.044 54.840 -0.073 0.000 1.002 1064 L CB 0.519 42.528 42.059 -0.084 0.000 1.383 1064 L HN 0.723 nan 8.230 nan 0.000 0.582 1065 E N 0.199 120.364 120.200 -0.057 0.000 2.428 1065 E HA 0.116 4.466 4.350 0.000 0.000 0.307 1065 E C -0.866 175.713 176.600 -0.036 0.000 0.902 1065 E CA -0.156 56.218 56.400 -0.044 0.000 0.799 1065 E CB 1.649 31.322 29.700 -0.045 0.000 1.351 1065 E HN -0.034 nan 8.360 nan 0.000 0.392 1066 D N 2.830 123.214 120.400 -0.027 0.000 2.435 1066 D HA 0.204 4.844 4.640 0.000 0.000 0.257 1066 D C -0.448 175.843 176.300 -0.015 0.000 1.290 1066 D CA 0.660 54.648 54.000 -0.018 0.000 0.994 1066 D CB 0.285 41.075 40.800 -0.015 0.000 1.014 1066 D HN 0.497 nan 8.370 nan 0.000 0.378 1067 R N 0.600 121.091 120.500 -0.014 0.000 1.654 1067 R HA -0.085 4.255 4.340 0.000 0.000 0.396 1067 R C -2.487 173.806 176.300 -0.012 0.000 1.258 1067 R CA -0.184 55.908 56.100 -0.014 0.000 1.036 1067 R CB -1.258 29.033 30.300 -0.016 0.000 3.126 1067 R HN 0.247 nan 8.270 nan 0.000 0.490 1068 P HA -0.021 nan 4.420 nan 0.000 0.272 1068 P C 0.958 178.248 177.300 -0.017 0.000 1.223 1068 P CA -0.196 62.897 63.100 -0.012 0.000 0.784 1068 P CB 0.558 32.251 31.700 -0.012 0.000 0.923 1069 L N 0.477 121.691 121.223 -0.015 0.000 2.556 1069 L HA -0.170 4.170 4.340 0.000 0.000 0.230 1069 L C 1.014 177.861 176.870 -0.038 0.000 1.163 1069 L CA 1.035 55.862 54.840 -0.022 0.000 0.819 1069 L CB -1.192 40.859 42.059 -0.012 0.000 0.939 1069 L HN 0.699 nan 8.230 nan 0.000 0.452 1070 S N -0.884 114.796 115.700 -0.033 0.000 3.585 1070 S HA -0.258 4.212 4.470 0.000 0.000 0.838 1070 S C 0.038 174.614 174.600 -0.040 0.000 1.320 1070 S CA 0.670 58.847 58.200 -0.039 0.000 0.956 1070 S CB -0.602 62.566 63.200 -0.054 0.000 0.463 1070 S HN 0.434 nan 8.310 nan 0.000 0.392 1071 D N 0.816 121.197 120.400 -0.032 0.000 2.520 1071 D HA 0.332 4.973 4.640 0.000 0.000 0.223 1071 D C -0.089 176.198 176.300 -0.021 0.000 1.186 1071 D CA 0.244 54.229 54.000 -0.026 0.000 0.821 1071 D CB 0.549 41.340 40.800 -0.015 0.000 1.072 1071 D HN 0.864 nan 8.370 nan 0.000 0.518 1072 K N -0.664 119.721 120.400 -0.025 0.000 2.543 1072 K HA 0.636 4.956 4.320 0.000 0.000 0.255 1072 K C -0.029 176.568 176.600 -0.005 0.000 0.934 1072 K CA -1.070 55.214 56.287 -0.006 0.000 0.810 1072 K CB 1.225 33.728 32.500 0.005 0.000 1.315 1072 K HN -0.137 nan 8.250 nan 0.000 0.433 1073 G N 1.079 109.900 108.800 0.035 0.000 2.491 1073 G HA2 0.277 4.237 3.960 0.000 0.000 0.238 1073 G HA3 0.277 4.237 3.960 0.000 0.000 0.238 1073 G C -0.507 174.444 174.900 0.085 0.000 1.277 1073 G CA -0.279 44.879 45.100 0.095 0.000 0.851 1073 G HN 0.772 nan 8.290 nan 0.000 0.573 1074 S N -0.265 115.494 115.700 0.098 0.000 4.604 1074 S HA -0.072 4.398 4.470 0.000 0.000 0.319 1074 S C 1.097 175.723 174.600 0.043 0.000 0.589 1074 S CA 0.911 59.153 58.200 0.071 0.000 1.239 1074 S CB -0.514 62.739 63.200 0.088 0.000 2.279 1074 S HN 1.632 nan 8.310 nan 0.000 0.322 1075 G N 2.265 111.081 108.800 0.027 0.000 4.683 1075 G HA2 0.488 4.448 3.960 0.000 0.000 0.273 1075 G HA3 0.488 4.448 3.960 0.000 0.000 0.273 1075 G C -0.788 174.121 174.900 0.013 0.000 1.065 1075 G CA -0.211 44.900 45.100 0.018 0.000 0.837 1075 G HN 0.719 nan 8.290 nan 0.000 0.526 1076 D N -0.057 120.352 120.400 0.016 0.000 5.686 1076 D HA -0.160 4.480 4.640 0.000 0.000 0.230 1076 D C 1.120 177.426 176.300 0.010 0.000 1.687 1076 D CA 0.964 54.971 54.000 0.013 0.000 1.416 1076 D CB -0.952 39.854 40.800 0.009 0.000 0.574 1076 D HN 0.309 nan 8.370 nan 0.000 0.304 1077 S N -0.467 115.240 115.700 0.011 0.000 1.971 1077 S HA -0.359 4.111 4.470 0.000 0.000 0.213 1077 S C 0.798 175.401 174.600 0.006 0.000 1.054 1077 S CA 2.181 60.386 58.200 0.008 0.000 1.702 1077 S CB -0.709 62.495 63.200 0.005 0.000 2.322 1077 S HN 0.936 nan 8.310 nan 0.000 0.569 1078 S N 2.507 118.209 115.700 0.003 0.000 2.571 1078 S HA 0.097 4.567 4.470 0.000 0.000 0.297 1078 S C 0.172 174.771 174.600 -0.002 0.000 1.234 1078 S CA 0.047 58.245 58.200 -0.002 0.000 1.120 1078 S CB 0.373 63.570 63.200 -0.006 0.000 0.923 1078 S HN 0.446 nan 8.310 nan 0.000 0.504 1079 Q N 5.499 125.296 119.800 -0.004 0.000 2.903 1079 Q HA 0.111 4.451 4.340 0.000 0.000 0.243 1079 Q C 0.143 176.131 176.000 -0.021 0.000 1.366 1079 Q CA -0.297 55.504 55.803 -0.004 0.000 0.898 1079 Q CB -0.229 28.507 28.738 -0.003 0.000 1.718 1079 Q HN 0.729 nan 8.270 nan 0.000 0.557 1080 V N 4.064 123.962 119.914 -0.027 0.000 2.890 1080 V HA -0.132 3.988 4.120 0.000 0.000 0.294 1080 V C -0.064 175.961 176.094 -0.116 0.000 1.165 1080 V CA 1.598 63.853 62.300 -0.075 0.000 1.302 1080 V CB -0.170 31.599 31.823 -0.089 0.000 0.820 1080 V HN 0.790 nan 8.190 nan 0.000 0.468 1081 T N 3.375 117.861 114.554 -0.112 0.000 2.918 1081 T HA 0.560 4.910 4.350 0.000 0.000 0.286 1081 T C 0.141 174.760 174.700 -0.134 0.000 1.026 1081 T CA -0.356 61.683 62.100 -0.103 0.000 1.031 1081 T CB 2.034 70.872 68.868 -0.049 0.000 1.046 1081 T HN 0.739 nan 8.240 nan 0.000 0.479 1082 Q N 0.738 120.471 119.800 -0.112 0.000 2.164 1082 Q HA 0.347 4.687 4.340 0.000 0.000 0.226 1082 Q C -0.566 175.485 176.000 0.086 0.000 0.813 1082 Q CA -0.117 55.641 55.803 -0.075 0.000 0.978 1082 Q CB 1.311 29.907 28.738 -0.237 0.000 1.149 1082 Q HN 0.627 nan 8.270 nan 0.000 0.489 1083 V N -0.048 119.912 119.914 0.078 0.000 2.588 1083 V HA 0.233 4.353 4.120 0.000 0.000 0.304 1083 V C 0.539 176.668 176.094 0.058 0.000 1.042 1083 V CA -0.388 61.976 62.300 0.106 0.000 0.877 1083 V CB 1.713 33.610 31.823 0.124 0.000 0.996 1083 V HN 0.036 nan 8.190 nan 0.000 0.425 1084 S N 4.799 120.535 115.700 0.060 0.000 2.355 1084 S HA 0.120 4.590 4.470 0.000 0.000 0.210 1084 S C -1.736 172.878 174.600 0.024 0.000 1.035 1084 S CA 0.918 59.139 58.200 0.036 0.000 1.011 1084 S CB -0.385 62.837 63.200 0.037 0.000 1.000 1084 S HN 0.689 nan 8.310 nan 0.000 0.423 1085 P HA 0.235 nan 4.420 nan 0.000 0.275 1085 P C -0.292 177.002 177.300 -0.010 0.000 1.228 1085 P CA -0.090 63.010 63.100 -0.000 0.000 0.786 1085 P CB 0.710 32.408 31.700 -0.003 0.000 0.927 1086 Q N 1.832 121.612 119.800 -0.034 0.000 2.391 1086 Q HA 0.217 4.557 4.340 0.000 0.000 0.243 1086 Q C 0.208 176.161 176.000 -0.080 0.000 0.874 1086 Q CA 0.799 56.578 55.803 -0.040 0.000 0.950 1086 Q CB 0.707 29.428 28.738 -0.030 0.000 1.103 1086 Q HN 0.427 nan 8.270 nan 0.000 0.544 1087 R N 0.580 121.022 120.500 -0.096 0.000 2.628 1087 R HA 0.709 5.049 4.340 0.000 0.000 0.288 1087 R C -0.879 175.324 176.300 -0.162 0.000 0.980 1087 R CA -0.558 55.463 56.100 -0.132 0.000 0.891 1087 R CB 2.754 32.992 30.300 -0.103 0.000 1.188 1087 R HN 0.182 nan 8.270 nan 0.000 0.450 1088 I N -0.463 119.972 120.570 -0.224 0.000 2.743 1088 I HA 0.560 4.730 4.170 0.000 0.000 0.292 1088 I C -1.577 174.378 176.117 -0.270 0.000 1.343 1088 I CA -0.584 60.566 61.300 -0.250 0.000 1.038 1088 I CB 2.296 40.092 38.000 -0.340 0.000 1.311 1088 I HN 0.732 nan 8.210 nan 0.000 0.426 1089 A N 7.165 129.858 122.820 -0.211 0.000 2.276 1089 A HA 0.759 5.079 4.320 0.000 0.000 0.316 1089 A C -1.328 176.139 177.584 -0.195 0.000 1.229 1089 A CA -0.444 51.477 52.037 -0.192 0.000 0.851 1089 A CB 1.108 20.025 19.000 -0.139 0.000 1.165 1089 A HN 0.645 nan 8.150 nan 0.000 0.513 1090 L N 2.035 123.133 121.223 -0.208 0.000 2.331 1090 L HA 0.634 4.974 4.340 0.000 0.000 0.275 1090 L C 0.382 177.134 176.870 -0.197 0.000 1.022 1090 L CA 0.047 54.774 54.840 -0.188 0.000 0.812 1090 L CB 1.548 43.500 42.059 -0.178 0.000 1.257 1090 L HN 0.764 nan 8.230 nan 0.000 0.435 1091 R N 4.494 124.891 120.500 -0.172 0.000 2.721 1091 R HA 0.465 4.805 4.340 0.000 0.000 0.272 1091 R C -1.557 174.654 176.300 -0.148 0.000 1.721 1091 R CA -0.440 55.556 56.100 -0.172 0.000 1.325 1091 R CB 0.806 31.037 30.300 -0.116 0.000 1.271 1091 R HN 0.511 nan 8.270 nan 0.000 0.556 1092 L N 3.435 124.535 121.223 -0.206 0.000 2.334 1092 L HA 0.559 4.899 4.340 0.000 0.000 0.277 1092 L C 0.631 177.495 176.870 -0.010 0.000 1.075 1092 L CA -0.775 54.005 54.840 -0.100 0.000 0.804 1092 L CB 1.168 43.169 42.059 -0.096 0.000 1.174 1092 L HN 0.443 nan 8.230 nan 0.000 0.438 1093 R N 3.002 123.519 120.500 0.028 0.000 2.691 1093 R HA 0.571 4.911 4.340 0.000 0.000 0.259 1093 R C -2.626 173.733 176.300 0.098 0.000 1.048 1093 R CA -1.910 54.229 56.100 0.065 0.000 1.086 1093 R CB 0.059 30.383 30.300 0.040 0.000 1.166 1093 R HN 0.258 nan 8.270 nan 0.000 0.526 1094 P HA -0.216 nan 4.420 nan 0.000 0.257 1094 P C -0.716 176.632 177.300 0.079 0.000 1.144 1094 P CA 0.933 64.085 63.100 0.088 0.000 0.761 1094 P CB 0.110 31.851 31.700 0.068 0.000 0.734 1095 D N -0.739 119.708 120.400 0.079 0.000 3.044 1095 D HA -0.196 4.444 4.640 0.000 0.000 0.223 1095 D C 0.435 176.772 176.300 0.061 0.000 1.191 1095 D CA 1.510 55.548 54.000 0.064 0.000 0.881 1095 D CB -0.610 40.217 40.800 0.045 0.000 1.115 1095 D HN 0.481 nan 8.370 nan 0.000 0.408 1096 D N -0.592 119.848 120.400 0.067 0.000 2.506 1096 D HA 0.512 5.152 4.640 0.000 0.000 0.272 1096 D C 0.384 176.711 176.300 0.046 0.000 1.214 1096 D CA 0.023 54.054 54.000 0.051 0.000 1.067 1096 D CB 1.234 42.061 40.800 0.045 0.000 1.117 1096 D HN 0.139 nan 8.370 nan 0.000 0.578 1097 S N -0.444 115.276 115.700 0.033 0.000 2.685 1097 S HA 0.759 5.230 4.470 0.000 0.000 0.282 1097 S C -1.124 173.491 174.600 0.025 0.000 1.159 1097 S CA -0.856 57.360 58.200 0.028 0.000 0.833 1097 S CB 2.602 65.812 63.200 0.017 0.000 1.151 1097 S HN 0.334 nan 8.310 nan 0.000 0.485 1098 K N 1.149 121.570 120.400 0.035 0.000 2.610 1098 K HA 0.277 4.597 4.320 0.000 0.000 0.274 1098 K C -1.356 175.298 176.600 0.089 0.000 1.049 1098 K CA -0.182 56.138 56.287 0.054 0.000 0.945 1098 K CB 0.583 33.117 32.500 0.057 0.000 1.313 1098 K HN 0.972 nan 8.250 nan 0.000 0.463 1099 N N 2.919 121.642 118.700 0.037 0.000 2.513 1099 N HA 0.682 5.423 4.740 0.000 0.000 0.274 1099 N C -0.380 175.186 175.510 0.094 0.000 1.189 1099 N CA -0.567 52.463 53.050 -0.033 0.000 0.975 1099 N CB 0.820 39.263 38.487 -0.073 0.000 1.157 1099 N HN 0.346 nan 8.380 nan 0.000 0.465 1100 F N -1.830 118.095 119.950 -0.042 0.000 3.016 1100 F HA 0.735 5.263 4.527 0.002 0.000 0.324 1100 F C -1.241 174.550 175.800 -0.015 0.000 1.196 1100 F CA -1.080 56.902 58.000 -0.031 0.000 0.929 1100 F CB 0.861 39.839 39.000 -0.037 0.000 1.440 1100 F HN 0.632 nan 8.300 nan 0.000 0.505 1101 S N 0.460 116.327 115.700 0.279 0.000 2.685 1101 S HA 0.859 5.329 4.470 0.000 0.000 0.282 1101 S C -1.531 173.220 174.600 0.253 0.000 1.159 1101 S CA -0.766 57.518 58.200 0.139 0.000 0.833 1101 S CB 2.128 65.371 63.200 0.073 0.000 1.151 1101 S HN 1.147 nan 8.310 nan 0.000 0.485 1102 I N 0.184 120.874 120.570 0.200 0.000 2.775 1102 I HA 0.511 4.681 4.170 0.000 0.000 0.295 1102 I C -2.162 174.063 176.117 0.181 0.000 1.287 1102 I CA -0.451 60.983 61.300 0.223 0.000 1.029 1102 I CB 2.247 40.426 38.000 0.297 0.000 1.282 1102 I HN 0.707 nan 8.210 nan 0.000 0.426 1103 Q N 4.952 124.835 119.800 0.139 0.000 2.353 1103 Q HA 0.681 5.021 4.340 0.000 0.000 0.268 1103 Q C -1.562 174.514 176.000 0.126 0.000 1.045 1103 Q CA -0.510 55.347 55.803 0.090 0.000 0.811 1103 Q CB 2.667 31.431 28.738 0.044 0.000 1.305 1103 Q HN 0.414 nan 8.270 nan 0.000 0.447 1104 V N 2.040 122.029 119.914 0.125 0.000 2.443 1104 V HA 0.574 4.694 4.120 0.000 0.000 0.293 1104 V C -0.572 175.612 176.094 0.150 0.000 1.021 1104 V CA -0.867 61.547 62.300 0.189 0.000 0.848 1104 V CB 1.578 33.552 31.823 0.251 0.000 0.998 1104 V HN 0.616 nan 8.190 nan 0.000 0.424 1105 R N 3.039 123.623 120.500 0.141 0.000 2.514 1105 R HA 0.437 4.777 4.340 0.000 0.000 0.301 1105 R C -0.564 175.780 176.300 0.074 0.000 0.962 1105 R CA -0.726 55.419 56.100 0.076 0.000 0.882 1105 R CB 1.446 31.753 30.300 0.013 0.000 1.143 1105 R HN 0.622 nan 8.270 nan 0.000 0.452 1106 Q N 3.497 123.338 119.800 0.069 0.000 2.844 1106 Q HA 0.124 4.464 4.340 0.000 0.000 0.235 1106 Q C -0.507 175.482 176.000 -0.018 0.000 1.336 1106 Q CA -0.134 55.697 55.803 0.047 0.000 1.026 1106 Q CB 0.869 29.662 28.738 0.091 0.000 1.513 1106 Q HN 0.413 nan 8.270 nan 0.000 0.577 1107 V N 2.645 122.489 119.914 -0.115 0.000 2.442 1107 V HA -0.124 3.996 4.120 0.000 0.000 0.272 1107 V C 1.140 177.217 176.094 -0.028 0.000 0.989 1107 V CA 0.483 62.712 62.300 -0.118 0.000 1.123 1107 V CB -0.546 31.119 31.823 -0.263 0.000 1.008 1107 V HN 0.566 nan 8.190 nan 0.000 0.469 1108 E N 4.332 124.543 120.200 0.019 0.000 2.461 1108 E HA -0.109 4.242 4.350 0.000 0.000 0.263 1108 E C 0.734 177.387 176.600 0.087 0.000 1.143 1108 E CA 0.108 56.547 56.400 0.066 0.000 0.994 1108 E CB 0.241 29.969 29.700 0.047 0.000 0.973 1108 E HN 0.794 nan 8.360 nan 0.000 0.457 1109 D N 0.918 121.382 120.400 0.105 0.000 2.802 1109 D HA -0.271 4.369 4.640 0.000 0.000 0.229 1109 D C -1.907 174.498 176.300 0.174 0.000 1.203 1109 D CA 0.790 54.852 54.000 0.104 0.000 0.712 1109 D CB -1.138 39.699 40.800 0.061 0.000 0.973 1109 D HN 0.351 nan 8.370 nan 0.000 0.407 1110 Y N 1.446 121.769 120.300 0.040 0.000 2.341 1110 Y HA 0.528 5.078 4.550 -0.001 0.000 0.337 1110 Y C -2.148 173.787 175.900 0.058 0.000 1.014 1110 Y CA -2.668 55.445 58.100 0.022 0.000 1.111 1110 Y CB 1.203 39.652 38.460 -0.019 0.000 1.194 1110 Y HN 0.032 nan 8.280 nan 0.000 0.462 1111 P HA 0.035 nan 4.420 nan 0.000 0.266 1111 P C -0.890 176.283 177.300 -0.212 0.000 1.195 1111 P CA 0.294 63.316 63.100 -0.130 0.000 0.768 1111 P CB 1.652 33.300 31.700 -0.086 0.000 0.838 1112 V N 2.722 122.620 119.914 -0.026 0.000 2.656 1112 V HA 0.385 4.505 4.120 0.000 0.000 0.307 1112 V C -1.076 175.096 176.094 0.131 0.000 1.051 1112 V CA -0.693 61.655 62.300 0.080 0.000 0.893 1112 V CB 2.022 33.977 31.823 0.220 0.000 0.999 1112 V HN 0.385 nan 8.190 nan 0.000 0.426 1113 D N 5.746 126.290 120.400 0.240 0.000 2.192 1113 D HA 0.577 5.217 4.640 0.000 0.000 0.246 1113 D C -0.523 175.979 176.300 0.336 0.000 1.042 1113 D CA 0.197 54.361 54.000 0.273 0.000 0.847 1113 D CB 2.116 43.146 40.800 0.383 0.000 1.186 1113 D HN 0.493 nan 8.370 nan 0.000 0.461 1114 I N 2.681 123.388 120.570 0.229 0.000 2.517 1114 I HA 0.115 4.285 4.170 0.000 0.000 0.280 1114 I C -1.293 174.964 176.117 0.234 0.000 1.061 1114 I CA -0.844 60.608 61.300 0.254 0.000 1.091 1114 I CB 1.321 39.415 38.000 0.157 0.000 1.205 1114 I HN 0.239 nan 8.210 nan 0.000 0.459 1115 Y N 6.703 127.080 120.300 0.129 0.000 2.341 1115 Y HA 0.296 4.846 4.550 0.001 0.000 0.340 1115 Y C -0.811 175.253 175.900 0.274 0.000 0.997 1115 Y CA -0.377 57.772 58.100 0.081 0.000 1.149 1115 Y CB 0.807 39.170 38.460 -0.161 0.000 1.171 1115 Y HN 0.416 nan 8.280 nan 0.000 0.494 1116 Y N 7.239 127.545 120.300 0.011 0.000 2.383 1116 Y HA 0.415 4.965 4.550 -0.000 0.000 0.344 1116 Y C -1.193 174.685 175.900 -0.037 0.000 0.986 1116 Y CA -0.702 57.495 58.100 0.162 0.000 1.175 1116 Y CB 0.724 39.454 38.460 0.449 0.000 1.152 1116 Y HN 0.608 nan 8.280 nan 0.000 0.511 1117 L N 8.926 130.107 121.223 -0.071 0.000 2.445 1117 L HA 0.411 4.751 4.340 0.000 0.000 0.252 1117 L C -0.662 176.199 176.870 -0.014 0.000 1.105 1117 L CA -0.616 54.260 54.840 0.061 0.000 0.943 1117 L CB 0.218 42.539 42.059 0.436 0.000 1.277 1117 L HN 0.689 nan 8.230 nan 0.000 0.465 1118 M N -0.014 119.470 119.600 -0.194 0.000 2.342 1118 M HA 0.513 4.993 4.480 0.000 0.000 0.332 1118 M C -0.461 175.516 176.300 -0.538 0.000 1.166 1118 M CA -0.427 54.737 55.300 -0.227 0.000 1.086 1118 M CB 1.022 33.656 32.600 0.058 0.000 1.541 1118 M HN 0.484 nan 8.290 nan 0.000 0.462 1119 D N 2.823 122.820 120.400 -0.673 0.000 2.316 1119 D HA 0.238 4.878 4.640 0.000 0.000 0.245 1119 D C -0.604 175.443 176.300 -0.421 0.000 1.171 1119 D CA -0.212 53.189 54.000 -0.999 0.000 0.856 1119 D CB 0.491 40.955 40.800 -0.560 0.000 1.090 1119 D HN 0.758 nan 8.370 nan 0.000 0.476 1120 L N 3.626 124.653 121.223 -0.326 0.000 3.035 1120 L HA 0.167 4.508 4.340 0.000 0.000 0.232 1120 L C 0.490 177.344 176.870 -0.027 0.000 1.341 1120 L CA -0.519 54.293 54.840 -0.047 0.000 1.177 1120 L CB -0.588 41.583 42.059 0.188 0.000 1.555 1120 L HN 0.397 nan 8.230 nan 0.000 0.473 1121 S N -2.397 113.260 115.700 -0.072 0.000 2.584 1121 S HA 0.051 4.521 4.470 0.000 0.000 0.273 1121 S C 1.053 175.689 174.600 0.059 0.000 1.311 1121 S CA -0.517 57.679 58.200 -0.007 0.000 1.034 1121 S CB 1.040 64.231 63.200 -0.015 0.000 0.939 1121 S HN 0.308 nan 8.310 nan 0.000 0.513 1122 Y N 3.321 123.612 120.300 -0.016 0.000 2.172 1122 Y HA -0.278 4.272 4.550 0.000 0.000 0.280 1122 Y C 2.426 178.328 175.900 0.002 0.000 1.209 1122 Y CA 2.289 60.390 58.100 0.001 0.000 1.171 1122 Y CB -0.927 37.537 38.460 0.006 0.000 0.965 1122 Y HN 0.873 nan 8.280 nan 0.000 0.520 1123 S N -1.081 114.649 115.700 0.050 0.000 2.889 1123 S HA -0.065 4.405 4.470 0.000 0.000 0.235 1123 S C 0.979 175.546 174.600 -0.055 0.000 0.978 1123 S CA 0.870 59.064 58.200 -0.011 0.000 1.010 1123 S CB -0.460 62.759 63.200 0.030 0.000 0.799 1123 S HN 0.428 nan 8.310 nan 0.000 0.534 1124 M N -0.323 119.223 119.600 -0.091 0.000 2.241 1124 M HA 0.208 4.688 4.480 0.000 0.000 0.374 1124 M C 1.243 177.503 176.300 -0.068 0.000 0.922 1124 M CA 0.273 55.540 55.300 -0.055 0.000 1.031 1124 M CB 0.199 32.782 32.600 -0.028 0.000 1.864 1124 M HN 0.373 nan 8.290 nan 0.000 0.636 1125 K N 1.857 122.152 120.400 -0.175 0.000 2.074 1125 K HA -0.192 4.128 4.320 0.000 0.000 0.209 1125 K C 1.172 177.717 176.600 -0.091 0.000 1.048 1125 K CA 2.481 58.666 56.287 -0.171 0.000 0.926 1125 K CB -1.044 31.249 32.500 -0.345 0.000 0.713 1125 K HN 0.371 nan 8.250 nan 0.000 0.444 1126 D N 1.511 121.853 120.400 -0.095 0.000 2.106 1126 D HA -0.223 4.417 4.640 0.000 0.000 0.194 1126 D C 1.325 177.681 176.300 0.094 0.000 0.988 1126 D CA 1.842 55.836 54.000 -0.011 0.000 0.845 1126 D CB -1.162 39.629 40.800 -0.015 0.000 0.990 1126 D HN 0.297 nan 8.370 nan 0.000 0.448 1127 D N 0.619 121.058 120.400 0.065 0.000 2.339 1127 D HA -0.214 4.426 4.640 0.000 0.000 0.189 1127 D C 1.667 178.043 176.300 0.126 0.000 1.022 1127 D CA 1.010 55.066 54.000 0.094 0.000 0.884 1127 D CB -0.446 40.397 40.800 0.071 0.000 0.916 1127 D HN 0.172 nan 8.370 nan 0.000 0.453 1128 L N -0.016 121.277 121.223 0.116 0.000 2.869 1128 L HA -0.062 4.278 4.340 0.000 0.000 0.259 1128 L C 0.665 177.671 176.870 0.226 0.000 1.162 1128 L CA 0.251 55.163 54.840 0.121 0.000 0.975 1128 L CB -0.234 41.879 42.059 0.090 0.000 1.217 1128 L HN 0.377 nan 8.230 nan 0.000 0.418 1129 W N -1.541 119.726 121.300 -0.056 0.000 4.332 1129 W HA -0.004 4.656 4.660 0.000 0.000 0.205 1129 W C 1.436 177.924 176.519 -0.052 0.000 0.907 1129 W CA -0.193 57.115 57.345 -0.061 0.000 2.184 1129 W CB 0.315 29.744 29.460 -0.050 0.000 0.933 1129 W HN -0.125 nan 8.180 nan 0.000 0.867 1130 S N 2.230 117.957 115.700 0.045 0.000 3.054 1130 S HA 0.020 4.490 4.470 0.000 0.000 0.243 1130 S C 0.818 175.369 174.600 -0.081 0.000 1.013 1130 S CA 0.488 58.643 58.200 -0.075 0.000 1.119 1130 S CB -0.512 62.704 63.200 0.027 0.000 0.838 1130 S HN 0.189 nan 8.310 nan 0.000 0.505 1131 I N 0.324 120.818 120.570 -0.127 0.000 4.774 1131 I HA -0.010 4.160 4.170 0.000 0.000 0.330 1131 I C 2.320 178.320 176.117 -0.195 0.000 1.287 1131 I CA 0.310 61.537 61.300 -0.123 0.000 1.311 1131 I CB -0.883 37.060 38.000 -0.095 0.000 1.315 1131 I HN 0.389 nan 8.210 nan 0.000 0.459 1132 Q N 1.320 120.944 119.800 -0.293 0.000 2.096 1132 Q HA -0.273 4.067 4.340 0.000 0.000 0.208 1132 Q C 1.447 177.295 176.000 -0.254 0.000 0.993 1132 Q CA 2.391 57.988 55.803 -0.344 0.000 0.862 1132 Q CB -0.522 27.893 28.738 -0.539 0.000 0.915 1132 Q HN 0.316 nan 8.270 nan 0.000 0.416 1133 N N 0.911 119.461 118.700 -0.251 0.000 2.106 1133 N HA -0.032 4.708 4.740 0.000 0.000 0.188 1133 N C 0.441 175.892 175.510 -0.098 0.000 1.029 1133 N CA 0.551 53.498 53.050 -0.172 0.000 0.848 1133 N CB -0.379 38.004 38.487 -0.174 0.000 1.007 1133 N HN 0.327 nan 8.380 nan 0.000 0.423 1134 L N -0.253 120.919 121.223 -0.084 0.000 2.573 1134 L HA 0.193 4.533 4.340 0.000 0.000 0.290 1134 L C 1.222 178.108 176.870 0.026 0.000 1.247 1134 L CA 1.399 56.206 54.840 -0.055 0.000 0.876 1134 L CB 0.110 42.132 42.059 -0.062 0.000 1.123 1134 L HN 0.466 nan 8.230 nan 0.000 0.505 1135 G N 1.738 110.438 108.800 -0.167 0.000 2.481 1135 G HA2 -0.265 3.695 3.960 0.000 0.000 0.200 1135 G HA3 -0.265 3.695 3.960 0.000 0.000 0.200 1135 G C 0.709 175.492 174.900 -0.194 0.000 1.012 1135 G CA 0.780 45.679 45.100 -0.336 0.000 0.676 1135 G HN 1.195 nan 8.290 nan 0.000 0.488 1136 T N -1.643 112.849 114.554 -0.103 0.000 3.026 1136 T HA 0.306 4.656 4.350 0.000 0.000 0.245 1136 T C 1.859 176.505 174.700 -0.090 0.000 1.004 1136 T CA 1.412 63.461 62.100 -0.085 0.000 1.069 1136 T CB 0.266 69.098 68.868 -0.061 0.000 1.005 1136 T HN 0.300 nan 8.240 nan 0.000 0.472 1137 K N 0.564 120.910 120.400 -0.090 0.000 2.103 1137 K HA -0.023 4.297 4.320 0.000 0.000 0.207 1137 K C 2.179 178.725 176.600 -0.090 0.000 1.048 1137 K CA 1.314 57.553 56.287 -0.080 0.000 0.930 1137 K CB -0.316 32.139 32.500 -0.076 0.000 0.716 1137 K HN 0.318 nan 8.250 nan 0.000 0.444 1138 L N 0.881 122.029 121.223 -0.125 0.000 1.973 1138 L HA -0.092 4.248 4.340 0.000 0.000 0.208 1138 L C 2.225 179.022 176.870 -0.122 0.000 1.073 1138 L CA 2.196 56.954 54.840 -0.137 0.000 0.746 1138 L CB -0.888 41.036 42.059 -0.225 0.000 0.891 1138 L HN 0.194 nan 8.230 nan 0.000 0.433 1139 A N -1.035 121.704 122.820 -0.135 0.000 2.038 1139 A HA -0.389 3.931 4.320 0.000 0.000 0.224 1139 A C 2.356 179.890 177.584 -0.083 0.000 1.190 1139 A CA 3.257 55.230 52.037 -0.107 0.000 0.668 1139 A CB -1.692 17.251 19.000 -0.096 0.000 0.820 1139 A HN 0.747 nan 8.150 nan 0.000 0.474 1140 T N -4.105 110.403 114.554 -0.076 0.000 2.866 1140 T HA -0.073 4.278 4.350 0.000 0.000 0.250 1140 T C 1.861 176.521 174.700 -0.066 0.000 1.033 1140 T CA 1.079 63.141 62.100 -0.063 0.000 1.145 1140 T CB -0.344 68.492 68.868 -0.054 0.000 0.866 1140 T HN 0.397 nan 8.240 nan 0.000 0.434 1141 Q N 0.575 120.334 119.800 -0.068 0.000 2.152 1141 Q HA -0.025 4.315 4.340 0.000 0.000 0.206 1141 Q C 2.328 178.271 176.000 -0.095 0.000 0.985 1141 Q CA 1.211 56.972 55.803 -0.069 0.000 0.863 1141 Q CB -0.522 28.180 28.738 -0.060 0.000 0.904 1141 Q HN 0.459 nan 8.270 nan 0.000 0.422 1142 M N 0.112 119.647 119.600 -0.108 0.000 2.081 1142 M HA -0.089 4.391 4.480 0.000 0.000 0.261 1142 M C 2.147 178.374 176.300 -0.121 0.000 1.075 1142 M CA 1.215 56.429 55.300 -0.143 0.000 1.133 1142 M CB -1.072 31.450 32.600 -0.130 0.000 1.330 1142 M HN 0.092 nan 8.290 nan 0.000 0.414 1143 R N 1.441 121.889 120.500 -0.087 0.000 2.196 1143 R HA -0.213 4.127 4.340 0.000 0.000 0.244 1143 R C 1.005 177.269 176.300 -0.061 0.000 1.121 1143 R CA 1.997 58.059 56.100 -0.064 0.000 0.930 1143 R CB -0.845 29.424 30.300 -0.052 0.000 0.890 1143 R HN 0.140 nan 8.270 nan 0.000 0.435 1144 K N -0.250 120.113 120.400 -0.060 0.000 2.408 1144 K HA 0.106 4.426 4.320 0.000 0.000 0.231 1144 K C -0.486 176.075 176.600 -0.064 0.000 1.261 1144 K CA 0.444 56.700 56.287 -0.050 0.000 1.193 1144 K CB -0.368 32.107 32.500 -0.042 0.000 1.431 1144 K HN 0.321 nan 8.250 nan 0.000 0.243 1145 L N -0.160 121.021 121.223 -0.071 0.000 5.773 1145 L HA 0.009 4.349 4.340 0.000 0.000 0.594 1145 L C -1.134 175.689 176.870 -0.078 0.000 0.567 1145 L CA 0.288 55.075 54.840 -0.087 0.000 2.513 1145 L CB 0.255 42.212 42.059 -0.170 0.000 1.856 1145 L HN 0.325 nan 8.230 nan 0.000 0.551 1146 T N -1.795 112.725 114.554 -0.056 0.000 4.391 1146 T HA 0.130 4.480 4.350 0.000 0.000 0.384 1146 T C 0.242 174.933 174.700 -0.015 0.000 1.000 1146 T CA 0.434 62.521 62.100 -0.021 0.000 1.038 1146 T CB 0.901 69.747 68.868 -0.036 0.000 1.175 1146 T HN -0.039 nan 8.240 nan 0.000 0.466 1147 S N 4.026 119.730 115.700 0.006 0.000 2.653 1147 S HA 0.153 4.623 4.470 0.000 0.000 0.233 1147 S C 0.531 175.134 174.600 0.004 0.000 0.970 1147 S CA 0.522 58.724 58.200 0.004 0.000 0.947 1147 S CB -0.879 62.329 63.200 0.014 0.000 0.771 1147 S HN 0.699 nan 8.310 nan 0.000 0.538 1148 N N -0.396 118.305 118.700 0.002 0.000 2.406 1148 N HA 0.529 5.269 4.740 0.000 0.000 0.283 1148 N C -2.059 173.446 175.510 -0.008 0.000 1.074 1148 N CA -0.609 52.441 53.050 0.001 0.000 0.916 1148 N CB 1.335 39.830 38.487 0.014 0.000 1.639 1148 N HN 0.158 nan 8.380 nan 0.000 0.485 1149 L N 2.484 123.700 121.223 -0.011 0.000 2.543 1149 L HA 0.536 4.876 4.340 0.000 0.000 0.265 1149 L C -1.595 175.269 176.870 -0.010 0.000 0.945 1149 L CA -0.293 54.539 54.840 -0.014 0.000 0.869 1149 L CB 1.613 43.647 42.059 -0.041 0.000 1.294 1149 L HN 0.517 nan 8.230 nan 0.000 0.405 1150 R N 5.696 126.201 120.500 0.008 0.000 2.599 1150 R HA 0.806 5.147 4.340 0.000 0.000 0.295 1150 R C -1.100 175.205 176.300 0.009 0.000 0.963 1150 R CA -0.797 55.308 56.100 0.009 0.000 0.883 1150 R CB 2.307 32.621 30.300 0.023 0.000 1.171 1150 R HN 0.750 nan 8.270 nan 0.000 0.450 1151 I N -1.770 118.795 120.570 -0.009 0.000 2.934 1151 I HA 0.888 5.058 4.170 0.000 0.000 0.306 1151 I C -0.381 175.778 176.117 0.071 0.000 1.110 1151 I CA -0.879 60.413 61.300 -0.012 0.000 1.019 1151 I CB 2.636 40.526 38.000 -0.184 0.000 1.227 1151 I HN 0.639 nan 8.210 nan 0.000 0.434 1152 G N 2.296 111.171 108.800 0.124 0.000 2.949 1152 G HA2 0.756 4.716 3.960 0.000 0.000 0.285 1152 G HA3 0.756 4.716 3.960 0.000 0.000 0.285 1152 G C -2.240 172.725 174.900 0.109 0.000 1.395 1152 G CA -0.654 44.545 45.100 0.165 0.000 0.901 1152 G HN 0.660 nan 8.290 nan 0.000 0.519 1153 F N -0.699 119.064 119.950 -0.313 0.000 2.619 1153 F HA 0.732 5.259 4.527 0.000 0.000 0.308 1153 F C -0.098 175.497 175.800 -0.342 0.000 1.097 1153 F CA -0.302 57.521 58.000 -0.295 0.000 0.953 1153 F CB 2.228 41.162 39.000 -0.112 0.000 1.287 1153 F HN 0.904 nan 8.300 nan 0.000 0.446 1154 G N 2.048 110.240 108.800 -1.014 0.000 2.696 1154 G HA2 0.808 4.768 3.960 0.000 0.000 0.295 1154 G HA3 0.808 4.768 3.960 0.000 0.000 0.295 1154 G C -2.331 172.260 174.900 -0.515 0.000 1.398 1154 G CA -0.473 44.425 45.100 -0.336 0.000 0.920 1154 G HN 1.086 nan 8.290 nan 0.000 0.492 1155 A N 0.250 123.027 122.820 -0.071 0.000 2.449 1155 A HA 0.951 5.271 4.320 0.000 0.000 0.302 1155 A C -1.077 176.855 177.584 0.580 0.000 1.048 1155 A CA -0.747 51.338 52.037 0.080 0.000 0.708 1155 A CB 1.339 20.351 19.000 0.021 0.000 1.274 1155 A HN 1.922 nan 8.150 nan 0.000 0.410 1156 F N 0.148 120.377 119.950 0.465 0.000 2.643 1156 F HA 0.808 5.335 4.527 0.000 0.000 0.314 1156 F C 0.048 175.817 175.800 -0.052 0.000 1.096 1156 F CA -0.315 57.887 58.000 0.337 0.000 0.953 1156 F CB 0.972 40.194 39.000 0.369 0.000 1.345 1156 F HN 0.668 nan 8.300 nan 0.000 0.468 1157 V N -3.003 116.907 119.914 -0.006 0.000 5.048 1157 V HA 0.586 4.706 4.120 0.000 0.000 0.133 1157 V C -1.055 175.099 176.094 0.100 0.000 1.124 1157 V CA 0.440 62.648 62.300 -0.154 0.000 1.228 1157 V CB 0.373 31.834 31.823 -0.602 0.000 1.711 1157 V HN 0.914 nan 8.190 nan 0.000 0.586 1158 D N -0.941 119.470 120.400 0.018 0.000 2.764 1158 D HA 0.267 4.907 4.640 0.000 0.000 0.293 1158 D C -1.598 174.771 176.300 0.116 0.000 1.287 1158 D CA -0.595 53.480 54.000 0.125 0.000 0.768 1158 D CB 1.889 42.752 40.800 0.106 0.000 1.288 1158 D HN 0.375 nan 8.370 nan 0.000 0.426 1159 K N 1.781 122.268 120.400 0.145 0.000 2.453 1159 K HA 0.157 4.477 4.320 0.000 0.000 0.280 1159 K C -1.850 174.851 176.600 0.168 0.000 1.045 1159 K CA -0.836 55.525 56.287 0.122 0.000 1.059 1159 K CB 0.283 32.835 32.500 0.087 0.000 0.901 1159 K HN 0.121 nan 8.250 nan 0.000 0.475 1160 P HA -0.019 nan 4.420 nan 0.000 0.231 1160 P C -0.591 176.752 177.300 0.072 0.000 1.756 1160 P CA 0.011 63.154 63.100 0.071 0.000 0.990 1160 P CB -0.279 31.445 31.700 0.040 0.000 1.973 1161 V N -3.096 116.887 119.914 0.115 0.000 3.001 1161 V HA 0.459 4.579 4.120 0.000 0.000 0.314 1161 V C 1.789 177.871 176.094 -0.021 0.000 1.099 1161 V CA -0.571 61.756 62.300 0.045 0.000 0.989 1161 V CB 1.117 32.961 31.823 0.035 0.000 1.040 1161 V HN 0.103 nan 8.190 nan 0.000 0.434 1162 S N 2.482 118.151 115.700 -0.052 0.000 2.490 1162 S HA -0.201 4.269 4.470 0.000 0.000 0.291 1162 S C -0.146 174.383 174.600 -0.118 0.000 1.182 1162 S CA 3.342 61.500 58.200 -0.070 0.000 1.215 1162 S CB -1.208 61.945 63.200 -0.079 0.000 1.176 1162 S HN 0.928 nan 8.310 nan 0.000 0.440 1163 P HA 0.008 nan 4.420 nan 0.000 0.213 1163 P C 0.953 178.087 177.300 -0.278 0.000 1.170 1163 P CA 1.444 64.315 63.100 -0.381 0.000 0.889 1163 P CB -0.221 31.041 31.700 -0.731 0.000 0.782 1164 Y N -1.746 118.597 120.300 0.072 0.000 2.220 1164 Y HA 0.024 4.574 4.550 0.000 0.000 0.291 1164 Y C 1.931 177.860 175.900 0.048 0.000 1.129 1164 Y CA 0.065 58.221 58.100 0.093 0.000 1.161 1164 Y CB -0.486 38.047 38.460 0.121 0.000 0.997 1164 Y HN -0.040 nan 8.280 nan 0.000 0.522 1165 M N -0.764 118.917 119.600 0.135 0.000 2.371 1165 M HA 0.184 4.664 4.480 0.000 0.000 0.301 1165 M C -0.827 175.582 176.300 0.182 0.000 1.173 1165 M CA -0.501 54.844 55.300 0.074 0.000 1.020 1165 M CB 0.828 33.468 32.600 0.067 0.000 1.490 1165 M HN 0.124 nan 8.290 nan 0.000 0.485 1166 Y N 3.557 123.858 120.300 0.001 0.000 2.603 1166 Y HA -0.020 4.530 4.550 0.000 0.000 0.341 1166 Y C 1.058 176.925 175.900 -0.055 0.000 1.272 1166 Y CA -1.044 57.035 58.100 -0.036 0.000 1.891 1166 Y CB -0.685 37.738 38.460 -0.062 0.000 1.910 1166 Y HN 0.666 nan 8.280 nan 0.000 0.432 1167 I N 0.624 121.262 120.570 0.114 0.000 3.642 1167 I HA -0.536 3.635 4.170 0.000 0.000 0.171 1167 I C 1.172 177.295 176.117 0.010 0.000 0.746 1167 I CA 2.176 63.493 61.300 0.029 0.000 1.031 1167 I CB -1.617 36.378 38.000 -0.008 0.000 0.825 1167 I HN 0.543 nan 8.210 nan 0.000 0.296 1168 S N -4.225 111.463 115.700 -0.021 0.000 4.641 1168 S HA 0.096 4.566 4.470 0.000 0.000 0.041 1168 S C -1.266 173.282 174.600 -0.086 0.000 0.861 1168 S CA -0.358 57.816 58.200 -0.044 0.000 0.885 1168 S CB -1.661 61.523 63.200 -0.026 0.000 0.429 1168 S HN 0.449 nan 8.310 nan 0.000 0.797 1169 P HA 0.117 nan 4.420 nan 0.000 0.203 1169 P C -2.198 175.008 177.300 -0.157 0.000 0.968 1169 P CA 1.081 64.087 63.100 -0.157 0.000 0.904 1169 P CB -1.926 29.633 31.700 -0.234 0.000 0.646 1170 P HA 0.073 nan 4.420 nan 0.000 0.268 1170 P C 0.747 177.973 177.300 -0.122 0.000 1.205 1170 P CA 0.332 63.346 63.100 -0.144 0.000 0.771 1170 P CB -0.008 31.607 31.700 -0.142 0.000 0.858 1171 E N 2.219 122.382 120.200 -0.062 0.000 2.219 1171 E HA -0.196 4.154 4.350 0.000 0.000 0.198 1171 E C 1.025 177.601 176.600 -0.041 0.000 0.998 1171 E CA 1.314 57.690 56.400 -0.041 0.000 0.818 1171 E CB -0.321 29.368 29.700 -0.019 0.000 0.741 1171 E HN 0.440 nan 8.360 nan 0.000 0.477 1172 A N 0.728 123.522 122.820 -0.043 0.000 2.503 1172 A HA 0.167 4.487 4.320 0.000 0.000 0.263 1172 A C 1.214 178.761 177.584 -0.061 0.000 1.360 1172 A CA -0.015 52.010 52.037 -0.020 0.000 0.969 1172 A CB 0.010 19.024 19.000 0.024 0.000 1.000 1172 A HN 0.172 nan 8.150 nan 0.000 0.530 1173 L N -2.113 119.026 121.223 -0.140 0.000 3.217 1173 L HA 0.365 4.705 4.340 0.000 0.000 0.288 1173 L C 1.011 177.848 176.870 -0.054 0.000 1.202 1173 L CA 0.688 55.398 54.840 -0.216 0.000 1.027 1173 L CB 0.191 41.881 42.059 -0.615 0.000 1.427 1173 L HN 0.222 nan 8.230 nan 0.000 0.600 1174 E N 0.174 120.357 120.200 -0.028 0.000 2.482 1174 E HA 0.059 4.409 4.350 0.000 0.000 0.196 1174 E C 0.489 177.109 176.600 0.034 0.000 1.047 1174 E CA 0.310 56.718 56.400 0.012 0.000 0.869 1174 E CB 0.168 29.872 29.700 0.007 0.000 0.836 1174 E HN 0.606 nan 8.360 nan 0.000 0.520 1175 N N -0.354 118.367 118.700 0.035 0.000 2.397 1175 N HA 0.113 4.853 4.740 0.000 0.000 0.190 1175 N C -2.022 173.533 175.510 0.074 0.000 1.099 1175 N CA 0.063 53.146 53.050 0.054 0.000 0.876 1175 N CB 0.987 39.502 38.487 0.047 0.000 1.143 1175 N HN 0.230 nan 8.380 nan 0.000 0.468 1176 P HA 0.316 nan 4.420 nan 0.000 0.334 1176 P C -0.922 176.477 177.300 0.165 0.000 0.928 1176 P CA -0.068 63.101 63.100 0.116 0.000 0.828 1176 P CB 1.500 33.269 31.700 0.115 0.000 1.263 1177 c N 0.998 119.691 118.600 0.155 0.000 2.339 1177 c HA 0.186 4.756 4.570 0.000 0.000 0.361 1177 c C 2.030 176.244 174.090 0.207 0.000 1.378 1177 c CA -0.189 56.231 56.329 0.152 0.000 1.763 1177 c CB -3.035 39.463 42.510 -0.020 0.000 2.632 1177 c HN 0.551 nan 8.230 nan 0.000 0.576 1178 Y N 2.530 122.857 120.300 0.046 0.000 2.136 1178 Y HA -0.330 4.220 4.550 0.000 0.000 0.271 1178 Y C 1.777 177.677 175.900 0.001 0.000 1.252 1178 Y CA 2.459 60.572 58.100 0.022 0.000 1.117 1178 Y CB -0.871 37.603 38.460 0.022 0.000 0.932 1178 Y HN 0.524 nan 8.280 nan 0.000 0.512 1179 D N -0.515 119.536 120.400 -0.582 0.000 2.305 1179 D HA -0.079 4.561 4.640 0.000 0.000 0.206 1179 D C 1.768 177.922 176.300 -0.244 0.000 0.974 1179 D CA 1.016 54.658 54.000 -0.595 0.000 0.871 1179 D CB -0.729 39.609 40.800 -0.770 0.000 0.947 1179 D HN 0.557 nan 8.370 nan 0.000 0.516 1180 M N -0.080 119.434 119.600 -0.143 0.000 2.562 1180 M HA 0.015 4.496 4.480 0.000 0.000 0.257 1180 M C 1.535 177.792 176.300 -0.071 0.000 1.099 1180 M CA 0.608 55.839 55.300 -0.114 0.000 1.099 1180 M CB -0.070 32.422 32.600 -0.180 0.000 1.427 1180 M HN 0.053 nan 8.290 nan 0.000 0.489 1181 K N -0.644 119.724 120.400 -0.055 0.000 6.211 1181 K HA -0.333 3.987 4.320 0.000 0.000 0.464 1181 K C 1.285 177.892 176.600 0.013 0.000 0.365 1181 K CA 2.030 58.305 56.287 -0.019 0.000 1.948 1181 K CB -1.864 30.624 32.500 -0.021 0.000 0.668 1181 K HN 0.244 nan 8.250 nan 0.000 0.711 1182 T N 0.405 114.973 114.554 0.023 0.000 2.777 1182 T HA -0.271 4.079 4.350 0.000 0.000 0.259 1182 T C 0.284 175.031 174.700 0.078 0.000 1.034 1182 T CA 3.293 65.438 62.100 0.075 0.000 1.161 1182 T CB -0.813 68.154 68.868 0.164 0.000 0.843 1182 T HN 0.796 nan 8.240 nan 0.000 0.477 1183 T N 1.295 115.890 114.554 0.068 0.000 2.422 1183 T HA -0.107 4.243 4.350 0.000 0.000 0.524 1183 T C 0.126 174.886 174.700 0.100 0.000 0.835 1183 T CA 0.312 62.458 62.100 0.077 0.000 2.787 1183 T CB -2.536 66.368 68.868 0.059 0.000 1.749 1183 T HN 1.084 nan 8.240 nan 0.000 0.524 1184 c N 3.081 121.749 118.600 0.113 0.000 2.401 1184 c HA 0.920 5.490 4.570 0.000 0.000 0.356 1184 c C 0.687 174.849 174.090 0.119 0.000 1.192 1184 c CA -1.509 54.904 56.329 0.141 0.000 2.028 1184 c CB 0.702 43.327 42.510 0.192 0.000 2.344 1184 c HN 0.901 nan 8.230 nan 0.000 0.525 1185 L N 3.730 125.031 121.223 0.129 0.000 2.456 1185 L HA 0.447 4.787 4.340 0.000 0.000 0.272 1185 L C -1.673 175.288 176.870 0.152 0.000 1.189 1185 L CA -1.121 53.795 54.840 0.127 0.000 0.846 1185 L CB 0.054 42.190 42.059 0.127 0.000 1.111 1185 L HN 0.666 nan 8.230 nan 0.000 0.475 1186 P HA -0.024 nan 4.420 nan 0.000 0.271 1186 P C -0.465 176.949 177.300 0.190 0.000 1.233 1186 P CA -0.550 62.626 63.100 0.128 0.000 0.789 1186 P CB 0.390 32.153 31.700 0.104 0.000 0.951 1187 M N 2.151 121.806 119.600 0.093 0.000 2.252 1187 M HA 0.115 4.595 4.480 0.000 0.000 0.333 1187 M C 0.387 176.752 176.300 0.109 0.000 1.111 1187 M CA 0.753 56.060 55.300 0.012 0.000 1.140 1187 M CB -0.665 31.911 32.600 -0.041 0.000 1.538 1187 M HN 0.435 nan 8.290 nan 0.000 0.448 1188 F N 0.605 120.548 119.950 -0.011 0.000 2.883 1188 F HA 0.600 5.127 4.527 -0.000 0.000 0.351 1188 F C 1.031 176.826 175.800 -0.009 0.000 0.970 1188 F CA 0.154 58.102 58.000 -0.086 0.000 1.130 1188 F CB -0.648 38.243 39.000 -0.183 0.000 1.015 1188 F HN 0.716 nan 8.300 nan 0.000 0.585 1189 G N 1.561 110.300 108.800 -0.103 0.000 4.269 1189 G HA2 -0.318 3.643 3.960 0.000 0.000 0.290 1189 G HA3 -0.318 3.643 3.960 0.000 0.000 0.290 1189 G C -0.742 174.427 174.900 0.449 0.000 1.570 1189 G CA 0.459 45.664 45.100 0.175 0.000 1.072 1189 G HN 0.811 nan 8.290 nan 0.000 0.681 1190 Y N 3.185 123.750 120.300 0.441 0.000 2.315 1190 Y HA 0.612 5.162 4.550 -0.000 0.000 0.324 1190 Y C -0.367 175.824 175.900 0.485 0.000 1.062 1190 Y CA -0.511 57.895 58.100 0.509 0.000 1.159 1190 Y CB 0.931 39.640 38.460 0.415 0.000 1.145 1190 Y HN 0.756 nan 8.280 nan 0.000 0.442 1191 K N 3.660 123.937 120.400 -0.205 0.000 2.221 1191 K HA 0.483 4.803 4.320 0.000 0.000 0.258 1191 K C -1.557 174.752 176.600 -0.486 0.000 0.944 1191 K CA -0.974 55.186 56.287 -0.212 0.000 0.823 1191 K CB 1.765 34.213 32.500 -0.087 0.000 1.113 1191 K HN 0.680 nan 8.250 nan 0.000 0.431 1192 H N 2.997 121.851 119.070 -0.361 0.000 2.556 1192 H HA 0.261 4.817 4.556 0.000 0.000 0.310 1192 H C -0.194 175.125 175.328 -0.014 0.000 1.057 1192 H CA -0.708 55.267 56.048 -0.122 0.000 1.264 1192 H CB 0.868 30.660 29.762 0.050 0.000 1.404 1192 H HN 0.520 nan 8.280 nan 0.000 0.462 1193 V N 4.466 124.221 119.914 -0.265 0.000 2.450 1193 V HA 0.008 4.128 4.120 0.000 0.000 0.222 1193 V C 0.358 176.224 176.094 -0.381 0.000 1.102 1193 V CA 0.116 62.289 62.300 -0.211 0.000 1.102 1193 V CB -0.402 31.534 31.823 0.188 0.000 0.715 1193 V HN 0.566 nan 8.190 nan 0.000 0.491 1194 L N 1.466 122.608 121.223 -0.136 0.000 2.255 1194 L HA 0.443 4.783 4.340 0.000 0.000 0.289 1194 L C 0.207 177.142 176.870 0.109 0.000 1.046 1194 L CA 0.366 55.177 54.840 -0.048 0.000 0.816 1194 L CB 0.421 42.511 42.059 0.052 0.000 1.197 1194 L HN 0.403 nan 8.230 nan 0.000 0.427 1195 T N 5.094 119.722 114.554 0.124 0.000 2.926 1195 T HA 0.222 4.572 4.350 0.000 0.000 0.307 1195 T C 0.538 175.346 174.700 0.179 0.000 1.059 1195 T CA -0.446 61.858 62.100 0.340 0.000 1.122 1195 T CB 0.109 69.151 68.868 0.290 0.000 0.972 1195 T HN 0.569 nan 8.240 nan 0.000 0.545 1196 L N 4.274 125.573 121.223 0.127 0.000 2.737 1196 L HA 0.147 4.488 4.340 0.000 0.000 0.275 1196 L C 1.003 177.896 176.870 0.040 0.000 1.179 1196 L CA 0.349 55.217 54.840 0.047 0.000 0.970 1196 L CB -0.318 41.706 42.059 -0.058 0.000 1.268 1196 L HN 0.754 nan 8.230 nan 0.000 0.485 1197 T N 0.330 114.909 114.554 0.042 0.000 2.865 1197 T HA 0.251 4.601 4.350 0.000 0.000 0.294 1197 T C 0.491 175.201 174.700 0.016 0.000 1.119 1197 T CA -0.600 61.518 62.100 0.029 0.000 1.007 1197 T CB 1.456 70.343 68.868 0.031 0.000 1.225 1197 T HN 0.684 nan 8.240 nan 0.000 0.515 1198 D N 0.512 120.917 120.400 0.009 0.000 2.301 1198 D HA -0.028 4.612 4.640 0.000 0.000 0.206 1198 D C 0.386 176.682 176.300 -0.007 0.000 0.979 1198 D CA 0.135 54.135 54.000 -0.001 0.000 0.874 1198 D CB 0.108 40.908 40.800 0.000 0.000 0.968 1198 D HN 0.383 nan 8.370 nan 0.000 0.510 1199 Q N 2.068 121.868 119.800 0.000 0.000 3.025 1199 Q HA 0.043 4.383 4.340 0.000 0.000 0.251 1199 Q C 1.330 177.331 176.000 0.001 0.000 1.348 1199 Q CA -0.040 55.761 55.803 -0.002 0.000 0.906 1199 Q CB -0.005 28.733 28.738 0.000 0.000 1.764 1199 Q HN 0.329 nan 8.270 nan 0.000 0.535 1200 V N -1.288 118.618 119.914 -0.014 0.000 3.392 1200 V HA -0.110 4.010 4.120 0.000 0.000 0.273 1200 V C 1.242 177.337 176.094 0.002 0.000 1.228 1200 V CA 1.559 63.844 62.300 -0.026 0.000 1.224 1200 V CB -0.856 30.924 31.823 -0.073 0.000 0.986 1200 V HN 0.383 nan 8.190 nan 0.000 0.494 1201 T N -0.339 114.223 114.554 0.013 0.000 2.999 1201 T HA 0.132 4.483 4.350 0.000 0.000 0.247 1201 T C 1.877 176.584 174.700 0.012 0.000 1.012 1201 T CA 0.234 62.338 62.100 0.006 0.000 1.048 1201 T CB -0.034 68.823 68.868 -0.017 0.000 1.020 1201 T HN 0.471 nan 8.240 nan 0.000 0.478 1202 R N 0.703 121.211 120.500 0.014 0.000 2.154 1202 R HA -0.099 4.241 4.340 0.000 0.000 0.248 1202 R C 1.963 178.252 176.300 -0.018 0.000 1.155 1202 R CA 1.225 57.321 56.100 -0.008 0.000 0.979 1202 R CB -1.091 29.212 30.300 0.006 0.000 0.869 1202 R HN 0.462 nan 8.270 nan 0.000 0.452 1203 F N 2.524 122.396 119.950 -0.130 0.000 2.102 1203 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 1203 F C 1.652 177.302 175.800 -0.250 0.000 1.105 1203 F CA 1.839 59.725 58.000 -0.189 0.000 1.239 1203 F CB -0.241 38.657 39.000 -0.169 0.000 0.991 1203 F HN 0.013 nan 8.300 nan 0.000 0.474 1204 N N 0.088 118.757 118.700 -0.052 0.000 2.142 1204 N HA -0.143 4.597 4.740 0.000 0.000 0.186 1204 N C 1.567 176.940 175.510 -0.229 0.000 1.023 1204 N CA 1.167 54.113 53.050 -0.174 0.000 0.852 1204 N CB -0.517 37.925 38.487 -0.075 0.000 0.998 1204 N HN 0.204 nan 8.380 nan 0.000 0.424 1205 E N 0.355 120.458 120.200 -0.161 0.000 2.515 1205 E HA -0.086 4.264 4.350 0.000 0.000 0.201 1205 E C 0.518 177.005 176.600 -0.188 0.000 1.071 1205 E CA 0.474 56.788 56.400 -0.144 0.000 0.880 1205 E CB 0.253 29.896 29.700 -0.094 0.000 0.828 1205 E HN 0.359 nan 8.360 nan 0.000 0.540 1206 E N -0.892 119.129 120.200 -0.297 0.000 2.182 1206 E HA -0.050 4.300 4.350 0.000 0.000 0.195 1206 E C 2.226 178.553 176.600 -0.454 0.000 0.933 1206 E CA 1.012 57.200 56.400 -0.352 0.000 0.940 1206 E CB -0.788 28.665 29.700 -0.411 0.000 0.945 1206 E HN 0.176 nan 8.360 nan 0.000 0.477 1207 V N 1.240 120.715 119.914 -0.731 0.000 2.527 1207 V HA -0.271 3.849 4.120 0.000 0.000 0.255 1207 V C 2.289 178.181 176.094 -0.337 0.000 1.081 1207 V CA 2.306 64.179 62.300 -0.713 0.000 1.092 1207 V CB -0.663 30.630 31.823 -0.884 0.000 0.673 1207 V HN 0.067 nan 8.190 nan 0.000 0.470 1208 K N 1.292 121.531 120.400 -0.268 0.000 2.063 1208 K HA -0.161 4.159 4.320 0.000 0.000 0.208 1208 K C 2.123 178.683 176.600 -0.066 0.000 1.048 1208 K CA 1.997 58.214 56.287 -0.117 0.000 0.928 1208 K CB -0.433 31.998 32.500 -0.114 0.000 0.713 1208 K HN 0.593 nan 8.250 nan 0.000 0.442 1209 K N -0.094 120.241 120.400 -0.109 0.000 2.228 1209 K HA -0.041 4.279 4.320 0.000 0.000 0.202 1209 K C 0.507 177.069 176.600 -0.062 0.000 1.051 1209 K CA 0.215 56.458 56.287 -0.074 0.000 0.960 1209 K CB 0.040 32.489 32.500 -0.085 0.000 0.743 1209 K HN 0.122 nan 8.250 nan 0.000 0.458 1210 Q N 1.586 121.332 119.800 -0.091 0.000 2.349 1210 Q HA -0.008 4.332 4.340 0.000 0.000 0.287 1210 Q C -0.474 175.525 176.000 -0.002 0.000 1.044 1210 Q CA 0.270 56.046 55.803 -0.045 0.000 0.918 1210 Q CB 0.765 29.479 28.738 -0.041 0.000 1.242 1210 Q HN 0.215 nan 8.270 nan 0.000 0.405 1211 S N 0.527 116.239 115.700 0.020 0.000 2.595 1211 S HA 0.792 5.262 4.470 0.000 0.000 0.281 1211 S C -0.339 174.319 174.600 0.096 0.000 1.117 1211 S CA -0.603 57.623 58.200 0.044 0.000 0.873 1211 S CB 0.810 64.033 63.200 0.039 0.000 1.108 1211 S HN 0.569 nan 8.310 nan 0.000 0.477 1212 V N -0.450 119.526 119.914 0.102 0.000 3.441 1212 V HA 0.843 4.963 4.120 0.000 0.000 0.300 1212 V C 0.552 176.776 176.094 0.217 0.000 1.062 1212 V CA -0.179 62.212 62.300 0.152 0.000 1.064 1212 V CB 0.885 32.761 31.823 0.089 0.000 1.197 1212 V HN 1.099 nan 8.190 nan 0.000 0.451 1213 S N -0.422 115.410 115.700 0.220 0.000 3.081 1213 S HA 0.727 5.197 4.470 0.000 0.000 0.316 1213 S C -0.634 174.033 174.600 0.111 0.000 1.089 1213 S CA -0.973 57.334 58.200 0.177 0.000 0.897 1213 S CB 1.705 65.008 63.200 0.171 0.000 1.358 1213 S HN 1.103 nan 8.310 nan 0.000 0.678 1214 R N 0.677 121.173 120.500 -0.006 0.000 2.643 1214 R HA 0.446 4.787 4.340 0.000 0.000 0.269 1214 R C -2.140 174.029 176.300 -0.219 0.000 1.037 1214 R CA -0.547 55.504 56.100 -0.082 0.000 0.894 1214 R CB 1.305 31.534 30.300 -0.119 0.000 1.238 1214 R HN 0.874 nan 8.270 nan 0.000 0.459 1215 N N 3.026 121.603 118.700 -0.205 0.000 2.336 1215 N HA 0.174 4.914 4.740 0.000 0.000 0.290 1215 N C -0.202 175.210 175.510 -0.163 0.000 1.058 1215 N CA -0.828 52.091 53.050 -0.218 0.000 0.865 1215 N CB 2.048 40.492 38.487 -0.071 0.000 1.581 1215 N HN 0.728 nan 8.380 nan 0.000 0.480 1216 R N 0.763 121.159 120.500 -0.173 0.000 2.082 1216 R HA -0.121 4.219 4.340 0.000 0.000 0.234 1216 R C -0.260 176.122 176.300 0.136 0.000 1.136 1216 R CA 1.308 57.491 56.100 0.138 0.000 0.935 1216 R CB -0.221 30.306 30.300 0.379 0.000 0.842 1216 R HN 0.699 nan 8.270 nan 0.000 0.430 1217 D N -0.835 119.661 120.400 0.159 0.000 2.382 1217 D HA 0.080 4.720 4.640 0.000 0.000 0.245 1217 D C 0.597 176.953 176.300 0.094 0.000 1.120 1217 D CA 0.548 54.654 54.000 0.178 0.000 0.890 1217 D CB 1.709 42.717 40.800 0.348 0.000 1.201 1217 D HN 0.319 nan 8.370 nan 0.000 0.433 1218 A N 4.772 127.627 122.820 0.059 0.000 1.841 1218 A HA -0.020 4.300 4.320 0.000 0.000 0.216 1218 A C -1.361 176.178 177.584 -0.074 0.000 1.199 1218 A CA 0.741 52.782 52.037 0.005 0.000 0.621 1218 A CB -1.558 17.446 19.000 0.007 0.000 0.835 1218 A HN 0.546 nan 8.150 nan 0.000 0.445 1219 P HA 0.256 nan 4.420 nan 0.000 0.264 1219 P C -0.052 176.926 177.300 -0.537 0.000 1.193 1219 P CA 0.332 63.146 63.100 -0.478 0.000 0.763 1219 P CB 0.703 31.888 31.700 -0.859 0.000 0.810 1220 E N 1.308 121.316 120.200 -0.321 0.000 2.790 1220 E HA 0.539 4.889 4.350 0.000 0.000 0.256 1220 E C 1.204 177.707 176.600 -0.161 0.000 1.246 1220 E CA -0.341 55.995 56.400 -0.107 0.000 1.041 1220 E CB 0.168 29.967 29.700 0.164 0.000 1.272 1220 E HN 0.408 nan 8.360 nan 0.000 0.603 1221 G N -0.748 108.096 108.800 0.073 0.000 3.936 1221 G HA2 0.221 4.181 3.960 0.000 0.000 0.296 1221 G HA3 0.221 4.181 3.960 0.000 0.000 0.296 1221 G C 0.916 175.776 174.900 -0.067 0.000 1.121 1221 G CA 0.180 45.338 45.100 0.097 0.000 0.899 1221 G HN 0.536 nan 8.290 nan 0.000 0.542 1222 G N 1.332 109.930 108.800 -0.338 0.000 2.529 1222 G HA2 -0.285 3.675 3.960 0.000 0.000 0.219 1222 G HA3 -0.285 3.675 3.960 0.000 0.000 0.219 1222 G C 1.455 176.236 174.900 -0.198 0.000 1.177 1222 G CA 0.887 45.532 45.100 -0.759 0.000 0.773 1222 G HN 0.308 nan 8.290 nan 0.000 0.573 1223 F N 1.463 121.223 119.950 -0.318 0.000 2.192 1223 F HA -0.036 4.491 4.527 0.001 0.000 0.301 1223 F C 2.324 178.020 175.800 -0.173 0.000 1.079 1223 F CA 0.734 58.569 58.000 -0.276 0.000 1.303 1223 F CB -0.940 37.932 39.000 -0.213 0.000 1.024 1223 F HN 0.138 nan 8.300 nan 0.000 0.494 1224 D N -0.099 120.397 120.400 0.160 0.000 2.092 1224 D HA -0.158 4.482 4.640 0.000 0.000 0.193 1224 D C 2.343 178.534 176.300 -0.183 0.000 0.994 1224 D CA 1.604 55.672 54.000 0.114 0.000 0.828 1224 D CB -0.335 40.651 40.800 0.310 0.000 0.963 1224 D HN 0.150 nan 8.370 nan 0.000 0.450 1225 A N 0.420 123.111 122.820 -0.215 0.000 1.845 1225 A HA -0.160 4.160 4.320 0.000 0.000 0.215 1225 A C 2.439 179.747 177.584 -0.460 0.000 1.195 1225 A CA 1.276 53.008 52.037 -0.508 0.000 0.616 1225 A CB -0.935 17.951 19.000 -0.190 0.000 0.832 1225 A HN 0.292 nan 8.150 nan 0.000 0.443 1226 I N -1.116 119.291 120.570 -0.273 0.000 2.185 1226 I HA -0.352 3.818 4.170 0.000 0.000 0.246 1226 I C 2.693 178.646 176.117 -0.275 0.000 1.088 1226 I CA 2.280 63.426 61.300 -0.257 0.000 1.347 1226 I CB -0.323 37.432 38.000 -0.409 0.000 1.041 1226 I HN 0.510 nan 8.210 nan 0.000 0.415 1227 M N 0.382 119.812 119.600 -0.282 0.000 2.132 1227 M HA -0.206 4.274 4.480 0.000 0.000 0.263 1227 M C 2.187 178.328 176.300 -0.265 0.000 1.065 1227 M CA 1.812 56.967 55.300 -0.243 0.000 1.122 1227 M CB -0.375 32.112 32.600 -0.188 0.000 1.365 1227 M HN 0.068 nan 8.290 nan 0.000 0.411 1228 Q N 0.178 119.741 119.800 -0.394 0.000 2.123 1228 Q HA 0.154 4.494 4.340 0.000 0.000 0.199 1228 Q C 0.976 176.808 176.000 -0.279 0.000 0.966 1228 Q CA 1.439 57.010 55.803 -0.387 0.000 0.845 1228 Q CB -0.621 27.771 28.738 -0.577 0.000 0.907 1228 Q HN 0.622 nan 8.270 nan 0.000 0.439 1229 A N 0.486 123.106 122.820 -0.335 0.000 3.117 1229 A HA 0.312 4.632 4.320 0.000 0.000 0.255 1229 A C 0.503 178.064 177.584 -0.038 0.000 1.583 1229 A CA 0.199 52.076 52.037 -0.266 0.000 1.234 1229 A CB -0.098 18.720 19.000 -0.303 0.000 1.076 1229 A HN 0.196 nan 8.150 nan 0.000 0.653 1230 T N -1.981 112.558 114.554 -0.024 0.000 3.285 1230 T HA 0.012 4.362 4.350 0.000 0.000 0.263 1230 T C 0.925 175.584 174.700 -0.069 0.000 0.836 1230 T CA 0.867 62.944 62.100 -0.038 0.000 0.849 1230 T CB -0.039 68.742 68.868 -0.144 0.000 1.252 1230 T HN 0.880 nan 8.240 nan 0.000 0.617 1231 V N -1.468 118.404 119.914 -0.071 0.000 3.346 1231 V HA 0.430 4.550 4.120 0.000 0.000 0.309 1231 V C 1.328 177.395 176.094 -0.045 0.000 1.457 1231 V CA -0.166 62.094 62.300 -0.066 0.000 1.069 1231 V CB -0.394 31.379 31.823 -0.084 0.000 0.944 1231 V HN 0.447 nan 8.190 nan 0.000 0.449 1232 c N 1.848 120.428 118.600 -0.032 0.000 2.780 1232 c HA 0.147 4.717 4.570 0.000 0.000 0.267 1232 c C 2.041 176.126 174.090 -0.008 0.000 1.266 1232 c CA 0.555 56.867 56.329 -0.029 0.000 1.709 1232 c CB -0.532 41.953 42.510 -0.040 0.000 1.975 1232 c HN 0.904 nan 8.230 nan 0.000 0.582 1233 D N 1.653 122.085 120.400 0.053 0.000 4.980 1233 D HA -0.434 4.206 4.640 0.000 0.000 0.418 1233 D C 1.319 177.633 176.300 0.022 0.000 1.658 1233 D CA 2.385 56.457 54.000 0.121 0.000 1.165 1233 D CB -0.982 39.910 40.800 0.154 0.000 0.342 1233 D HN 0.639 nan 8.370 nan 0.000 0.991 1234 E N 0.615 120.826 120.200 0.019 0.000 2.233 1234 E HA -0.315 4.035 4.350 0.000 0.000 0.199 1234 E C 1.595 178.191 176.600 -0.006 0.000 1.004 1234 E CA 1.363 57.770 56.400 0.012 0.000 0.819 1234 E CB 0.163 29.873 29.700 0.017 0.000 0.738 1234 E HN 0.235 nan 8.360 nan 0.000 0.478 1235 K N 0.268 120.644 120.400 -0.039 0.000 1.997 1235 K HA -0.062 4.258 4.320 0.000 0.000 0.212 1235 K C 2.142 178.639 176.600 -0.171 0.000 1.033 1235 K CA 0.693 56.941 56.287 -0.065 0.000 0.950 1235 K CB -0.756 31.687 32.500 -0.095 0.000 0.751 1235 K HN 0.095 nan 8.250 nan 0.000 0.444 1236 I N 0.987 121.309 120.570 -0.412 0.000 2.290 1236 I HA -0.233 3.937 4.170 0.000 0.000 0.253 1236 I C 1.095 176.966 176.117 -0.410 0.000 1.112 1236 I CA 1.804 62.742 61.300 -0.604 0.000 1.377 1236 I CB -0.808 36.489 38.000 -1.170 0.000 1.060 1236 I HN 0.632 nan 8.210 nan 0.000 0.428 1237 G N -0.574 108.061 108.800 -0.274 0.000 2.289 1237 G HA2 -0.263 3.697 3.960 0.000 0.000 0.280 1237 G HA3 -0.263 3.697 3.960 0.000 0.000 0.280 1237 G C -0.185 174.633 174.900 -0.137 0.000 1.089 1237 G CA -0.335 44.686 45.100 -0.131 0.000 0.939 1237 G HN 0.315 nan 8.290 nan 0.000 0.499 1238 W N -0.480 120.727 121.300 -0.156 0.000 2.150 1238 W HA 0.566 5.225 4.660 -0.001 0.000 0.341 1238 W C 1.274 177.699 176.519 -0.157 0.000 1.276 1238 W CA -0.657 56.520 57.345 -0.280 0.000 1.238 1238 W CB 0.563 29.695 29.460 -0.546 0.000 1.128 1238 W HN 0.167 nan 8.180 nan 0.000 0.581 1239 R N 1.893 122.483 120.500 0.151 0.000 2.265 1239 R HA 0.027 4.367 4.340 0.000 0.000 0.314 1239 R C 1.455 177.904 176.300 0.248 0.000 1.053 1239 R CA -0.252 55.947 56.100 0.165 0.000 0.931 1239 R CB 0.496 30.874 30.300 0.129 0.000 1.024 1239 R HN 0.697 nan 8.270 nan 0.000 0.457 1240 N N 2.130 120.932 118.700 0.170 0.000 2.036 1240 N HA -0.236 4.504 4.740 0.000 0.000 0.199 1240 N C -0.267 175.336 175.510 0.155 0.000 1.036 1240 N CA 1.508 54.651 53.050 0.156 0.000 0.870 1240 N CB 0.110 38.658 38.487 0.102 0.000 1.055 1240 N HN 0.468 nan 8.380 nan 0.000 0.436 1241 D N 0.031 120.512 120.400 0.135 0.000 2.767 1241 D HA 0.511 5.151 4.640 0.000 0.000 0.241 1241 D C -1.100 175.226 176.300 0.044 0.000 1.187 1241 D CA -0.036 54.061 54.000 0.161 0.000 0.999 1241 D CB 0.913 41.825 40.800 0.186 0.000 1.042 1241 D HN 0.418 nan 8.370 nan 0.000 0.510 1242 A N 0.195 122.939 122.820 -0.126 0.000 2.599 1242 A HA 0.675 4.995 4.320 0.000 0.000 0.290 1242 A C -0.626 176.656 177.584 -0.504 0.000 1.101 1242 A CA -0.746 50.981 52.037 -0.517 0.000 0.674 1242 A CB 1.582 20.523 19.000 -0.097 0.000 1.277 1242 A HN 0.098 nan 8.150 nan 0.000 0.419 1243 S N -0.242 115.166 115.700 -0.488 0.000 2.513 1243 S HA 0.510 4.980 4.470 0.000 0.000 0.276 1243 S C -0.506 174.127 174.600 0.055 0.000 1.254 1243 S CA -0.215 57.827 58.200 -0.262 0.000 1.053 1243 S CB -0.104 62.998 63.200 -0.164 0.000 0.958 1243 S HN 0.594 nan 8.310 nan 0.000 0.491 1244 H N 2.990 122.025 119.070 -0.057 0.000 2.499 1244 H HA 0.616 5.172 4.556 -0.000 0.000 0.340 1244 H C -0.636 174.714 175.328 0.036 0.000 1.148 1244 H CA -1.078 54.963 56.048 -0.011 0.000 1.215 1244 H CB 1.170 30.705 29.762 -0.378 0.000 1.529 1244 H HN 0.302 nan 8.280 nan 0.000 0.510 1245 L N 3.416 124.883 121.223 0.407 0.000 2.470 1245 L HA 0.313 4.653 4.340 0.000 0.000 0.268 1245 L C -1.087 176.084 176.870 0.501 0.000 0.964 1245 L CA -0.492 54.546 54.840 0.329 0.000 0.839 1245 L CB 2.454 44.693 42.059 0.300 0.000 1.276 1245 L HN 0.453 nan 8.230 nan 0.000 0.403 1246 L N 4.322 125.754 121.223 0.349 0.000 2.295 1246 L HA 0.438 4.778 4.340 0.000 0.000 0.281 1246 L C -0.578 176.454 176.870 0.271 0.000 1.018 1246 L CA -0.658 54.429 54.840 0.411 0.000 0.841 1246 L CB 1.816 44.038 42.059 0.271 0.000 1.218 1246 L HN 0.335 nan 8.230 nan 0.000 0.424 1247 V N 4.825 124.896 119.914 0.263 0.000 2.353 1247 V HA 0.107 4.228 4.120 0.000 0.000 0.264 1247 V C -0.123 176.037 176.094 0.110 0.000 1.049 1247 V CA -0.283 62.100 62.300 0.138 0.000 0.896 1247 V CB 0.665 32.522 31.823 0.057 0.000 1.025 1247 V HN 0.415 nan 8.190 nan 0.000 0.475 1248 F N 4.886 124.872 119.950 0.060 0.000 2.371 1248 F HA 0.549 5.076 4.527 0.000 0.000 0.363 1248 F C 0.408 176.277 175.800 0.115 0.000 1.122 1248 F CA -0.058 58.031 58.000 0.149 0.000 1.129 1248 F CB 1.178 40.343 39.000 0.275 0.000 1.173 1248 F HN 0.449 nan 8.300 nan 0.000 0.489 1249 T N 5.180 119.498 114.554 -0.393 0.000 2.809 1249 T HA 0.562 4.912 4.350 0.000 0.000 0.284 1249 T C -0.767 173.684 174.700 -0.415 0.000 0.992 1249 T CA -0.204 61.690 62.100 -0.343 0.000 0.957 1249 T CB 0.910 69.639 68.868 -0.232 0.000 0.942 1249 T HN 0.806 nan 8.240 nan 0.000 0.439 1250 T N 2.434 116.764 114.554 -0.374 0.000 2.868 1250 T HA 0.466 4.816 4.350 0.000 0.000 0.306 1250 T C -0.750 173.856 174.700 -0.157 0.000 1.224 1250 T CA -0.636 61.312 62.100 -0.255 0.000 1.012 1250 T CB 1.584 70.322 68.868 -0.217 0.000 1.221 1250 T HN 0.705 nan 8.240 nan 0.000 0.499 1251 D N 0.917 121.273 120.400 -0.074 0.000 2.440 1251 D HA 0.461 5.101 4.640 0.000 0.000 0.216 1251 D C 0.357 176.668 176.300 0.018 0.000 1.150 1251 D CA -0.290 53.696 54.000 -0.024 0.000 0.832 1251 D CB 0.339 41.133 40.800 -0.011 0.000 0.992 1251 D HN 0.560 nan 8.370 nan 0.000 0.502 1252 A N 0.068 122.909 122.820 0.035 0.000 2.437 1252 A HA 0.589 4.909 4.320 0.000 0.000 0.288 1252 A C 0.239 177.910 177.584 0.144 0.000 1.201 1252 A CA -0.789 51.288 52.037 0.066 0.000 0.795 1252 A CB 1.914 20.933 19.000 0.033 0.000 1.359 1252 A HN -0.064 nan 8.150 nan 0.000 0.435 1253 K N -0.759 119.680 120.400 0.065 0.000 2.614 1253 K HA 0.530 4.851 4.320 0.000 0.000 0.275 1253 K C -0.328 176.230 176.600 -0.070 0.000 1.055 1253 K CA 0.180 56.478 56.287 0.019 0.000 0.961 1253 K CB 0.275 32.736 32.500 -0.065 0.000 1.220 1253 K HN 0.653 nan 8.250 nan 0.000 0.491 1254 T N 0.096 114.492 114.554 -0.263 0.000 3.012 1254 T HA 0.152 4.502 4.350 0.000 0.000 0.330 1254 T C -1.439 172.871 174.700 -0.650 0.000 1.321 1254 T CA -0.803 61.000 62.100 -0.494 0.000 1.067 1254 T CB 0.535 69.031 68.868 -0.622 0.000 1.235 1254 T HN 0.404 nan 8.240 nan 0.000 0.479 1255 H N 3.550 122.225 119.070 -0.658 0.000 2.690 1255 H HA 0.510 5.066 4.556 0.000 0.000 0.365 1255 H C 0.696 175.535 175.328 -0.814 0.000 1.142 1255 H CA 0.021 55.606 56.048 -0.772 0.000 1.417 1255 H CB 0.670 29.648 29.762 -1.305 0.000 1.446 1255 H HN 0.695 nan 8.280 nan 0.000 0.599 1256 I N -1.180 119.185 120.570 -0.341 0.000 3.264 1256 I HA 0.729 4.899 4.170 0.000 0.000 0.309 1256 I C 0.013 176.141 176.117 0.018 0.000 1.099 1256 I CA -1.515 59.675 61.300 -0.183 0.000 0.989 1256 I CB 1.468 39.412 38.000 -0.092 0.000 1.250 1256 I HN 0.476 nan 8.210 nan 0.000 0.478 1257 A N 1.717 124.602 122.820 0.109 0.000 2.425 1257 A HA 0.505 4.825 4.320 0.000 0.000 0.242 1257 A C 0.512 178.167 177.584 0.118 0.000 1.077 1257 A CA 0.030 52.162 52.037 0.157 0.000 0.781 1257 A CB 0.196 19.271 19.000 0.124 0.000 1.020 1257 A HN 1.046 nan 8.150 nan 0.000 0.494 1258 L N -0.027 121.271 121.223 0.125 0.000 3.495 1258 L HA -0.229 4.112 4.340 0.000 0.000 0.412 1258 L C 1.184 178.115 176.870 0.101 0.000 0.717 1258 L CA 2.072 56.967 54.840 0.092 0.000 2.795 1258 L CB -1.816 40.283 42.059 0.067 0.000 0.936 1258 L HN 0.826 nan 8.230 nan 0.000 0.674 1259 D N -0.054 120.421 120.400 0.126 0.000 2.084 1259 D HA -0.037 4.604 4.640 0.000 0.000 0.194 1259 D C 2.015 178.415 176.300 0.167 0.000 0.990 1259 D CA 1.615 55.682 54.000 0.113 0.000 0.826 1259 D CB -0.496 40.325 40.800 0.036 0.000 0.971 1259 D HN 0.530 nan 8.370 nan 0.000 0.453 1260 G N 0.982 109.932 108.800 0.250 0.000 2.743 1260 G HA2 -0.360 3.600 3.960 0.000 0.000 0.222 1260 G HA3 -0.360 3.600 3.960 0.000 0.000 0.222 1260 G C 1.608 176.570 174.900 0.103 0.000 1.085 1260 G CA 0.505 45.717 45.100 0.187 0.000 0.716 1260 G HN 0.161 nan 8.290 nan 0.000 0.604 1261 R N -0.699 119.849 120.500 0.080 0.000 2.096 1261 R HA -0.104 4.236 4.340 0.000 0.000 0.240 1261 R C 2.562 178.875 176.300 0.022 0.000 1.139 1261 R CA 1.380 57.505 56.100 0.041 0.000 0.952 1261 R CB -0.534 29.789 30.300 0.039 0.000 0.854 1261 R HN 0.392 nan 8.270 nan 0.000 0.436 1262 L N 0.311 121.549 121.223 0.026 0.000 1.956 1262 L HA -0.190 4.150 4.340 0.000 0.000 0.216 1262 L C 2.510 179.339 176.870 -0.067 0.000 1.073 1262 L CA 2.267 57.093 54.840 -0.023 0.000 0.762 1262 L CB -1.151 40.888 42.059 -0.034 0.000 0.889 1262 L HN 0.186 nan 8.230 nan 0.000 0.433 1263 A N -0.726 122.038 122.820 -0.093 0.000 2.245 1263 A HA 0.110 4.430 4.320 0.000 0.000 0.217 1263 A C 1.672 179.223 177.584 -0.055 0.000 1.171 1263 A CA 1.161 53.124 52.037 -0.123 0.000 0.688 1263 A CB -1.264 17.709 19.000 -0.045 0.000 0.781 1263 A HN 0.793 nan 8.150 nan 0.000 0.479 1264 G N -1.435 107.347 108.800 -0.030 0.000 2.204 1264 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 1264 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 1264 G C -0.146 174.742 174.900 -0.021 0.000 1.062 1264 G CA 0.181 45.267 45.100 -0.024 0.000 0.798 1264 G HN 0.574 nan 8.290 nan 0.000 0.496 1265 I N 0.619 121.181 120.570 -0.013 0.000 2.382 1265 I HA 0.393 4.564 4.170 0.000 0.000 0.285 1265 I C 1.223 177.331 176.117 -0.015 0.000 1.007 1265 I CA -0.800 60.483 61.300 -0.028 0.000 1.142 1265 I CB 1.739 39.707 38.000 -0.052 0.000 1.289 1265 I HN 0.173 nan 8.210 nan 0.000 0.453 1266 V N 1.645 121.550 119.914 -0.015 0.000 3.477 1266 V HA 0.222 4.342 4.120 0.000 0.000 0.297 1266 V C 0.525 176.617 176.094 -0.004 0.000 1.433 1266 V CA -0.160 62.138 62.300 -0.003 0.000 1.052 1266 V CB 0.054 31.877 31.823 0.000 0.000 0.895 1266 V HN 0.781 nan 8.190 nan 0.000 0.438 1267 Q N 3.265 123.056 119.800 -0.015 0.000 2.288 1267 Q HA 0.372 4.712 4.340 0.000 0.000 0.258 1267 Q C -2.380 173.616 176.000 -0.006 0.000 0.957 1267 Q CA -1.868 53.928 55.803 -0.012 0.000 0.919 1267 Q CB 1.546 30.268 28.738 -0.026 0.000 1.185 1267 Q HN 0.414 nan 8.270 nan 0.000 0.408 1268 P HA -0.001 nan 4.420 nan 0.000 0.276 1268 P C -0.716 176.604 177.300 0.033 0.000 1.244 1268 P CA -0.411 62.704 63.100 0.024 0.000 0.801 1268 P CB 0.612 32.330 31.700 0.030 0.000 1.006 1269 N N 1.760 120.490 118.700 0.049 0.000 2.447 1269 N HA -0.060 4.680 4.740 0.000 0.000 0.263 1269 N C 0.509 176.064 175.510 0.076 0.000 1.226 1269 N CA 0.282 53.377 53.050 0.075 0.000 0.906 1269 N CB 0.269 38.806 38.487 0.082 0.000 1.060 1269 N HN 0.344 nan 8.380 nan 0.000 0.468 1270 D N 2.007 122.475 120.400 0.112 0.000 2.339 1270 D HA 0.117 4.757 4.640 0.000 0.000 0.217 1270 D C 1.175 177.522 176.300 0.080 0.000 1.050 1270 D CA 0.433 54.494 54.000 0.102 0.000 0.856 1270 D CB -0.345 40.542 40.800 0.145 0.000 0.922 1270 D HN 0.663 nan 8.370 nan 0.000 0.518 1271 G N 0.002 108.850 108.800 0.080 0.000 2.166 1271 G HA2 -0.332 3.628 3.960 0.000 0.000 0.260 1271 G HA3 -0.332 3.628 3.960 0.000 0.000 0.260 1271 G C 0.061 174.962 174.900 0.001 0.000 0.986 1271 G CA 0.334 45.448 45.100 0.024 0.000 0.683 1271 G HN 0.473 nan 8.290 nan 0.000 0.527 1272 Q N -0.870 118.943 119.800 0.022 0.000 2.227 1272 Q HA 0.469 4.809 4.340 0.000 0.000 0.245 1272 Q C 0.734 176.594 176.000 -0.234 0.000 0.926 1272 Q CA -0.401 55.331 55.803 -0.118 0.000 0.895 1272 Q CB 1.968 30.604 28.738 -0.170 0.000 1.230 1272 Q HN 0.459 nan 8.270 nan 0.000 0.450 1273 c N 2.723 121.181 118.600 -0.237 0.000 2.648 1273 c HA 0.042 4.612 4.570 0.000 0.000 0.419 1273 c C 0.603 174.515 174.090 -0.296 0.000 1.352 1273 c CA 0.073 56.298 56.329 -0.174 0.000 1.816 1273 c CB -0.810 41.643 42.510 -0.095 0.000 2.598 1273 c HN 0.787 nan 8.230 nan 0.000 0.598 1274 H N 3.530 122.689 119.070 0.148 0.000 2.916 1274 H HA 0.215 4.772 4.556 0.001 0.000 0.262 1274 H C 0.514 176.026 175.328 0.308 0.000 1.178 1274 H CA 0.037 56.239 56.048 0.256 0.000 1.090 1274 H CB 0.296 30.312 29.762 0.424 0.000 1.657 1274 H HN 0.492 nan 8.280 nan 0.000 0.601 1275 V N 0.238 120.346 119.914 0.322 0.000 3.264 1275 V HA 0.532 4.652 4.120 0.000 0.000 0.304 1275 V C 1.137 177.358 176.094 0.212 0.000 1.086 1275 V CA 0.158 62.642 62.300 0.307 0.000 1.090 1275 V CB 1.557 33.535 31.823 0.258 0.000 1.112 1275 V HN 0.500 nan 8.190 nan 0.000 0.472 1276 G N -0.370 108.540 108.800 0.182 0.000 2.749 1276 G HA2 0.415 4.375 3.960 0.000 0.000 0.300 1276 G HA3 0.415 4.375 3.960 0.000 0.000 0.300 1276 G C 0.532 175.483 174.900 0.086 0.000 1.352 1276 G CA 0.359 45.533 45.100 0.123 0.000 0.789 1276 G HN 0.518 nan 8.290 nan 0.000 0.509 1277 S N 0.637 116.371 115.700 0.057 0.000 2.393 1277 S HA -0.219 4.251 4.470 0.000 0.000 0.234 1277 S C 1.798 176.393 174.600 -0.008 0.000 1.064 1277 S CA 2.331 60.547 58.200 0.027 0.000 1.088 1277 S CB -0.337 62.874 63.200 0.019 0.000 0.939 1277 S HN 0.773 nan 8.310 nan 0.000 0.448 1278 D N 0.503 120.884 120.400 -0.031 0.000 2.363 1278 D HA -0.017 4.623 4.640 0.000 0.000 0.220 1278 D C 0.083 176.251 176.300 -0.219 0.000 0.994 1278 D CA 0.383 54.293 54.000 -0.151 0.000 0.890 1278 D CB -0.771 39.919 40.800 -0.184 0.000 0.906 1278 D HN 0.596 nan 8.370 nan 0.000 0.530 1279 N N -0.192 118.489 118.700 -0.031 0.000 2.776 1279 N HA -0.179 4.561 4.740 0.000 0.000 0.250 1279 N C -0.886 174.703 175.510 0.131 0.000 1.112 1279 N CA 0.239 53.323 53.050 0.057 0.000 0.733 1279 N CB -1.756 36.737 38.487 0.010 0.000 1.097 1279 N HN 0.547 nan 8.380 nan 0.000 0.558 1280 H N 0.120 119.253 119.070 0.104 0.000 2.511 1280 H HA 0.107 4.663 4.556 0.000 0.000 0.328 1280 H C -0.409 175.081 175.328 0.270 0.000 1.044 1280 H CA -0.894 55.236 56.048 0.137 0.000 1.212 1280 H CB 0.746 30.575 29.762 0.113 0.000 1.428 1280 H HN 0.130 nan 8.280 nan 0.000 0.483 1281 Y N 3.991 124.489 120.300 0.329 0.000 2.857 1281 Y HA -0.138 4.412 4.550 -0.000 0.000 0.373 1281 Y C 0.522 176.558 175.900 0.227 0.000 1.346 1281 Y CA -0.666 57.636 58.100 0.337 0.000 1.736 1281 Y CB -0.190 38.526 38.460 0.426 0.000 1.236 1281 Y HN 0.518 nan 8.280 nan 0.000 0.507 1282 S N 3.960 119.806 115.700 0.243 0.000 2.994 1282 S HA 0.553 5.023 4.470 0.000 0.000 0.247 1282 S C 0.809 175.306 174.600 -0.171 0.000 1.323 1282 S CA -0.071 58.152 58.200 0.038 0.000 1.246 1282 S CB -0.303 62.969 63.200 0.121 0.000 0.994 1282 S HN 0.853 nan 8.310 nan 0.000 0.484 1283 A N 0.054 122.517 122.820 -0.594 0.000 2.726 1283 A HA 0.400 4.720 4.320 0.000 0.000 0.192 1283 A C 1.558 178.665 177.584 -0.796 0.000 1.412 1283 A CA 0.342 51.994 52.037 -0.642 0.000 1.073 1283 A CB -0.870 17.762 19.000 -0.614 0.000 1.331 1283 A HN 0.486 nan 8.150 nan 0.000 0.537 1284 S N 0.946 116.003 115.700 -1.071 0.000 2.389 1284 S HA -0.248 4.222 4.470 0.000 0.000 0.231 1284 S C 2.160 176.573 174.600 -0.311 0.000 1.052 1284 S CA 3.102 60.949 58.200 -0.589 0.000 1.053 1284 S CB -0.366 62.691 63.200 -0.238 0.000 0.886 1284 S HN 0.984 nan 8.310 nan 0.000 0.456 1285 T N -2.096 112.316 114.554 -0.238 0.000 2.985 1285 T HA -0.002 4.348 4.350 0.000 0.000 0.266 1285 T C 1.849 176.464 174.700 -0.141 0.000 1.076 1285 T CA 1.604 63.621 62.100 -0.140 0.000 1.135 1285 T CB -0.600 68.216 68.868 -0.086 0.000 0.890 1285 T HN 0.541 nan 8.240 nan 0.000 0.480 1286 T N -1.454 112.991 114.554 -0.182 0.000 3.022 1286 T HA 0.400 4.750 4.350 0.000 0.000 0.250 1286 T C 0.407 175.016 174.700 -0.150 0.000 1.060 1286 T CA -0.545 61.467 62.100 -0.145 0.000 1.013 1286 T CB -0.239 68.545 68.868 -0.140 0.000 0.982 1286 T HN 0.389 nan 8.240 nan 0.000 0.508 1287 M N 2.418 121.901 119.600 -0.196 0.000 2.253 1287 M HA 0.441 4.922 4.480 0.000 0.000 0.314 1287 M C -1.325 174.879 176.300 -0.160 0.000 1.019 1287 M CA -0.832 54.382 55.300 -0.143 0.000 0.932 1287 M CB 1.872 34.398 32.600 -0.123 0.000 1.606 1287 M HN -0.002 nan 8.290 nan 0.000 0.430 1288 D N 2.826 123.158 120.400 -0.114 0.000 2.382 1288 D HA 0.064 4.704 4.640 0.000 0.000 0.240 1288 D C -1.056 175.197 176.300 -0.078 0.000 1.146 1288 D CA 0.521 54.438 54.000 -0.138 0.000 0.897 1288 D CB 0.504 41.295 40.800 -0.014 0.000 1.197 1288 D HN 0.392 nan 8.370 nan 0.000 0.432 1289 Y N 2.108 122.438 120.300 0.049 0.000 2.788 1289 Y HA 0.118 4.668 4.550 0.000 0.000 0.341 1289 Y C -1.286 174.656 175.900 0.070 0.000 1.258 1289 Y CA -1.075 57.066 58.100 0.068 0.000 1.503 1289 Y CB -0.362 38.122 38.460 0.039 0.000 1.325 1289 Y HN 0.310 nan 8.280 nan 0.000 0.614 1290 P HA 0.083 nan 4.420 nan 0.000 0.277 1290 P C -0.846 176.531 177.300 0.128 0.000 1.240 1290 P CA -0.484 62.692 63.100 0.127 0.000 0.798 1290 P CB 1.332 33.067 31.700 0.057 0.000 0.979 1291 S N 1.564 117.308 115.700 0.074 0.000 2.672 1291 S HA 0.269 4.739 4.470 0.000 0.000 0.276 1291 S C 1.673 176.280 174.600 0.012 0.000 1.207 1291 S CA -0.873 57.366 58.200 0.066 0.000 1.002 1291 S CB 0.328 63.560 63.200 0.053 0.000 0.998 1291 S HN 0.355 nan 8.310 nan 0.000 0.542 1292 L N 1.052 122.285 121.223 0.017 0.000 2.081 1292 L HA -0.073 4.267 4.340 0.000 0.000 0.212 1292 L C 2.768 179.610 176.870 -0.046 0.000 1.080 1292 L CA 1.590 56.409 54.840 -0.036 0.000 0.754 1292 L CB -1.350 40.724 42.059 0.025 0.000 0.893 1292 L HN 0.989 nan 8.230 nan 0.000 0.433 1293 G N 0.072 108.862 108.800 -0.018 0.000 2.421 1293 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 1293 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 1293 G C 1.576 176.451 174.900 -0.041 0.000 1.171 1293 G CA 0.587 45.672 45.100 -0.025 0.000 0.775 1293 G HN 0.172 nan 8.290 nan 0.000 0.543 1294 L N 0.234 121.437 121.223 -0.035 0.000 2.056 1294 L HA 0.114 4.454 4.340 0.000 0.000 0.207 1294 L C 3.016 179.837 176.870 -0.082 0.000 1.078 1294 L CA 1.410 56.224 54.840 -0.044 0.000 0.749 1294 L CB -0.294 41.752 42.059 -0.023 0.000 0.901 1294 L HN 0.209 nan 8.230 nan 0.000 0.433 1295 M N -1.588 117.944 119.600 -0.114 0.000 2.106 1295 M HA -0.276 4.204 4.480 0.000 0.000 0.259 1295 M C 2.019 178.214 176.300 -0.175 0.000 1.068 1295 M CA 2.403 57.591 55.300 -0.186 0.000 1.100 1295 M CB -0.674 31.754 32.600 -0.287 0.000 1.351 1295 M HN 0.319 nan 8.290 nan 0.000 0.404 1296 T N -0.612 113.859 114.554 -0.139 0.000 2.612 1296 T HA -0.206 4.144 4.350 0.000 0.000 0.259 1296 T C 1.510 176.143 174.700 -0.110 0.000 1.065 1296 T CA 1.658 63.683 62.100 -0.126 0.000 1.167 1296 T CB -0.449 68.362 68.868 -0.095 0.000 0.863 1296 T HN 0.467 nan 8.240 nan 0.000 0.407 1297 E N 0.571 120.720 120.200 -0.085 0.000 2.200 1297 E HA -0.317 4.033 4.350 0.000 0.000 0.211 1297 E C 1.967 178.517 176.600 -0.084 0.000 1.048 1297 E CA 1.559 57.916 56.400 -0.072 0.000 0.851 1297 E CB 0.070 29.738 29.700 -0.053 0.000 0.747 1297 E HN 0.147 nan 8.360 nan 0.000 0.462 1298 K N -0.077 120.264 120.400 -0.099 0.000 2.067 1298 K HA 0.027 4.347 4.320 0.000 0.000 0.203 1298 K C 2.320 178.836 176.600 -0.141 0.000 1.048 1298 K CA 0.575 56.796 56.287 -0.110 0.000 0.954 1298 K CB -0.555 31.878 32.500 -0.112 0.000 0.737 1298 K HN 0.258 nan 8.250 nan 0.000 0.444 1299 L N 1.239 122.363 121.223 -0.165 0.000 2.013 1299 L HA -0.280 4.060 4.340 0.000 0.000 0.212 1299 L C 2.665 179.431 176.870 -0.173 0.000 1.073 1299 L CA 1.615 56.338 54.840 -0.195 0.000 0.753 1299 L CB -0.493 41.438 42.059 -0.213 0.000 0.890 1299 L HN 0.223 nan 8.230 nan 0.000 0.432 1300 S N -0.755 114.860 115.700 -0.141 0.000 2.344 1300 S HA -0.273 4.197 4.470 0.000 0.000 0.217 1300 S C 1.891 176.427 174.600 -0.106 0.000 1.033 1300 S CA 1.687 59.816 58.200 -0.120 0.000 1.017 1300 S CB -0.245 62.894 63.200 -0.101 0.000 0.941 1300 S HN 0.434 nan 8.310 nan 0.000 0.430 1301 Q N 0.190 119.935 119.800 -0.092 0.000 2.118 1301 Q HA -0.170 4.170 4.340 0.000 0.000 0.211 1301 Q C 1.916 177.868 176.000 -0.081 0.000 0.998 1301 Q CA 1.627 57.385 55.803 -0.074 0.000 0.872 1301 Q CB -0.235 28.465 28.738 -0.063 0.000 0.925 1301 Q HN 0.374 nan 8.270 nan 0.000 0.414 1302 K N 0.386 120.718 120.400 -0.114 0.000 2.525 1302 K HA 0.024 4.344 4.320 0.000 0.000 0.192 1302 K C -0.121 176.388 176.600 -0.151 0.000 1.029 1302 K CA 0.200 56.405 56.287 -0.137 0.000 1.029 1302 K CB -0.253 32.129 32.500 -0.197 0.000 0.814 1302 K HN 0.351 nan 8.250 nan 0.000 0.503 1303 N N 0.910 119.521 118.700 -0.147 0.000 2.738 1303 N HA -0.159 4.581 4.740 0.000 0.000 0.249 1303 N C -1.007 174.374 175.510 -0.215 0.000 1.047 1303 N CA 0.103 53.054 53.050 -0.165 0.000 0.707 1303 N CB -0.572 37.815 38.487 -0.167 0.000 0.937 1303 N HN 0.095 nan 8.380 nan 0.000 0.545 1304 I N 0.632 121.041 120.570 -0.268 0.000 2.460 1304 I HA 0.241 4.411 4.170 0.000 0.000 0.298 1304 I C 0.281 176.253 176.117 -0.243 0.000 0.989 1304 I CA -0.316 60.765 61.300 -0.365 0.000 1.173 1304 I CB 1.630 39.301 38.000 -0.548 0.000 1.338 1304 I HN 0.066 nan 8.210 nan 0.000 0.456 1305 N N 5.456 124.048 118.700 -0.179 0.000 2.546 1305 N HA 0.332 5.072 4.740 0.000 0.000 0.238 1305 N C -0.418 175.027 175.510 -0.109 0.000 0.984 1305 N CA -0.367 52.607 53.050 -0.126 0.000 0.935 1305 N CB 1.187 39.628 38.487 -0.077 0.000 1.122 1305 N HN 0.480 nan 8.380 nan 0.000 0.510 1306 L N 3.676 124.783 121.223 -0.192 0.000 2.410 1306 L HA 0.378 4.718 4.340 0.000 0.000 0.273 1306 L C -0.784 175.927 176.870 -0.265 0.000 1.152 1306 L CA -0.058 54.625 54.840 -0.262 0.000 0.855 1306 L CB 0.294 42.066 42.059 -0.478 0.000 1.129 1306 L HN 0.491 nan 8.230 nan 0.000 0.463 1307 I N 5.018 125.507 120.570 -0.135 0.000 2.418 1307 I HA 0.194 4.364 4.170 0.000 0.000 0.287 1307 I C -0.883 175.290 176.117 0.093 0.000 1.008 1307 I CA -0.452 60.827 61.300 -0.035 0.000 1.104 1307 I CB 1.549 39.595 38.000 0.077 0.000 1.264 1307 I HN 0.375 nan 8.210 nan 0.000 0.438 1308 F N 5.235 125.280 119.950 0.158 0.000 2.406 1308 F HA 0.388 4.915 4.527 0.001 0.000 0.358 1308 F C 0.908 176.761 175.800 0.089 0.000 1.161 1308 F CA -0.940 57.177 58.000 0.195 0.000 1.185 1308 F CB 0.511 39.641 39.000 0.215 0.000 1.421 1308 F HN 0.441 nan 8.300 nan 0.000 0.576 1309 A N 4.114 127.076 122.820 0.237 0.000 2.376 1309 A HA 0.628 4.949 4.320 0.000 0.000 0.298 1309 A C -0.163 177.416 177.584 -0.009 0.000 1.271 1309 A CA -0.282 51.813 52.037 0.097 0.000 0.926 1309 A CB -0.230 18.802 19.000 0.055 0.000 1.141 1309 A HN 0.596 nan 8.150 nan 0.000 0.539 1310 V N 0.302 120.206 119.914 -0.017 0.000 3.160 1310 V HA 0.884 5.005 4.120 0.000 0.000 0.310 1310 V C 0.040 176.122 176.094 -0.020 0.000 1.181 1310 V CA -0.376 61.863 62.300 -0.102 0.000 1.047 1310 V CB 1.373 33.029 31.823 -0.277 0.000 1.068 1310 V HN 0.908 nan 8.190 nan 0.000 0.441 1311 T N -1.753 112.791 114.554 -0.017 0.000 2.909 1311 T HA 0.374 4.724 4.350 0.000 0.000 0.289 1311 T C 0.761 175.490 174.700 0.047 0.000 1.005 1311 T CA 0.446 62.560 62.100 0.022 0.000 1.084 1311 T CB 1.504 70.383 68.868 0.019 0.000 0.975 1311 T HN 1.028 nan 8.240 nan 0.000 0.509 1312 E N 2.091 122.322 120.200 0.052 0.000 2.187 1312 E HA -0.290 4.060 4.350 0.000 0.000 0.199 1312 E C 1.968 178.605 176.600 0.060 0.000 1.004 1312 E CA 2.039 58.474 56.400 0.059 0.000 0.813 1312 E CB -0.403 29.328 29.700 0.053 0.000 0.736 1312 E HN 0.803 nan 8.360 nan 0.000 0.468 1313 N N -0.187 118.546 118.700 0.055 0.000 2.443 1313 N HA -0.138 4.602 4.740 0.000 0.000 0.184 1313 N C 1.275 176.826 175.510 0.067 0.000 1.037 1313 N CA 1.388 54.469 53.050 0.052 0.000 0.896 1313 N CB 0.159 38.673 38.487 0.045 0.000 0.959 1313 N HN 0.210 nan 8.380 nan 0.000 0.442 1314 V N 0.320 120.293 119.914 0.098 0.000 3.329 1314 V HA 0.107 4.227 4.120 0.000 0.000 0.317 1314 V C 1.412 177.654 176.094 0.245 0.000 1.495 1314 V CA -0.165 62.231 62.300 0.160 0.000 1.105 1314 V CB 0.271 32.222 31.823 0.214 0.000 0.985 1314 V HN 0.111 nan 8.190 nan 0.000 0.475 1315 V N 0.750 120.763 119.914 0.165 0.000 2.237 1315 V HA -0.241 3.879 4.120 0.000 0.000 0.245 1315 V C 1.992 178.193 176.094 0.177 0.000 1.046 1315 V CA 2.980 65.388 62.300 0.180 0.000 1.007 1315 V CB -0.539 31.355 31.823 0.118 0.000 0.638 1315 V HN 0.776 nan 8.190 nan 0.000 0.445 1316 N N -0.475 118.286 118.700 0.101 0.000 2.133 1316 N HA -0.261 4.479 4.740 0.000 0.000 0.193 1316 N C 1.823 177.338 175.510 0.009 0.000 1.012 1316 N CA 1.828 54.909 53.050 0.052 0.000 0.871 1316 N CB -0.226 38.272 38.487 0.018 0.000 1.011 1316 N HN 0.496 nan 8.380 nan 0.000 0.435 1317 L N 0.326 121.548 121.223 -0.002 0.000 1.989 1317 L HA -0.192 4.148 4.340 0.000 0.000 0.211 1317 L C 1.553 178.278 176.870 -0.242 0.000 1.071 1317 L CA 1.714 56.437 54.840 -0.195 0.000 0.749 1317 L CB -0.672 41.266 42.059 -0.203 0.000 0.890 1317 L HN 0.184 nan 8.230 nan 0.000 0.431 1318 Y N -0.455 119.864 120.300 0.032 0.000 2.439 1318 Y HA -0.112 4.438 4.550 -0.000 0.000 0.292 1318 Y C 2.579 178.574 175.900 0.160 0.000 1.130 1318 Y CA 1.008 59.158 58.100 0.083 0.000 1.254 1318 Y CB -0.447 37.955 38.460 -0.096 0.000 1.000 1318 Y HN 0.362 nan 8.280 nan 0.000 0.554 1319 Q N 0.028 119.967 119.800 0.232 0.000 2.020 1319 Q HA -0.200 4.140 4.340 0.000 0.000 0.202 1319 Q C 1.989 178.066 176.000 0.129 0.000 0.982 1319 Q CA 1.316 57.232 55.803 0.188 0.000 0.838 1319 Q CB -0.300 28.509 28.738 0.118 0.000 0.899 1319 Q HN 0.498 nan 8.270 nan 0.000 0.423 1320 N N -0.203 118.507 118.700 0.016 0.000 2.094 1320 N HA -0.186 4.554 4.740 0.000 0.000 0.191 1320 N C 1.678 177.178 175.510 -0.016 0.000 1.023 1320 N CA 1.313 54.324 53.050 -0.066 0.000 0.857 1320 N CB -0.108 38.252 38.487 -0.212 0.000 1.013 1320 N HN 0.262 nan 8.380 nan 0.000 0.426 1321 Y N 1.390 121.703 120.300 0.022 0.000 2.200 1321 Y HA -0.121 4.429 4.550 0.000 0.000 0.290 1321 Y C 2.863 178.863 175.900 0.165 0.000 1.137 1321 Y CA 1.134 59.269 58.100 0.058 0.000 1.163 1321 Y CB -0.718 37.735 38.460 -0.011 0.000 0.988 1321 Y HN 0.135 nan 8.280 nan 0.000 0.518 1322 S N -0.598 115.352 115.700 0.416 0.000 2.402 1322 S HA -0.176 4.294 4.470 0.000 0.000 0.229 1322 S C 1.843 176.539 174.600 0.160 0.000 1.021 1322 S CA 1.048 59.437 58.200 0.315 0.000 0.974 1322 S CB -0.429 62.965 63.200 0.324 0.000 0.800 1322 S HN 0.449 nan 8.310 nan 0.000 0.484 1323 E N 0.515 120.795 120.200 0.133 0.000 2.273 1323 E HA -0.107 4.243 4.350 0.000 0.000 0.198 1323 E C 1.324 177.960 176.600 0.059 0.000 1.002 1323 E CA 0.831 57.275 56.400 0.073 0.000 0.828 1323 E CB -0.065 29.665 29.700 0.050 0.000 0.747 1323 E HN 0.436 nan 8.360 nan 0.000 0.491 1324 L N -0.224 121.054 121.223 0.091 0.000 2.477 1324 L HA 0.133 4.473 4.340 0.000 0.000 0.220 1324 L C 0.940 177.836 176.870 0.044 0.000 1.106 1324 L CA 0.593 55.476 54.840 0.072 0.000 0.851 1324 L CB 0.065 42.192 42.059 0.113 0.000 0.994 1324 L HN 0.009 nan 8.230 nan 0.000 0.462 1325 I N 2.151 122.751 120.570 0.049 0.000 2.697 1325 I HA 0.203 4.373 4.170 0.000 0.000 0.279 1325 I C -2.150 173.951 176.117 -0.027 0.000 1.171 1325 I CA -1.575 59.717 61.300 -0.014 0.000 1.135 1325 I CB 1.157 39.132 38.000 -0.042 0.000 1.445 1325 I HN -0.117 nan 8.210 nan 0.000 0.541 1326 P HA 0.044 nan 4.420 nan 0.000 0.267 1326 P C 0.931 178.191 177.300 -0.067 0.000 1.200 1326 P CA 0.821 63.897 63.100 -0.041 0.000 0.772 1326 P CB 1.057 32.728 31.700 -0.048 0.000 0.855 1327 G N 1.284 110.048 108.800 -0.060 0.000 2.175 1327 G HA2 -0.170 3.790 3.960 0.000 0.000 0.244 1327 G HA3 -0.170 3.790 3.960 0.000 0.000 0.244 1327 G C 0.045 174.896 174.900 -0.082 0.000 0.982 1327 G CA 0.146 45.201 45.100 -0.075 0.000 0.641 1327 G HN 0.702 nan 8.290 nan 0.000 0.527 1328 T N 1.213 115.719 114.554 -0.079 0.000 2.767 1328 T HA 0.583 4.934 4.350 0.000 0.000 0.284 1328 T C 0.206 174.886 174.700 -0.033 0.000 0.973 1328 T CA 0.502 62.534 62.100 -0.114 0.000 0.996 1328 T CB 2.126 70.874 68.868 -0.200 0.000 0.927 1328 T HN 0.456 nan 8.240 nan 0.000 0.456 1329 T N 1.536 116.074 114.554 -0.027 0.000 2.943 1329 T HA 0.622 4.972 4.350 0.000 0.000 0.284 1329 T C -0.862 173.907 174.700 0.114 0.000 1.015 1329 T CA -0.612 61.517 62.100 0.048 0.000 1.042 1329 T CB 1.204 70.098 68.868 0.043 0.000 1.055 1329 T HN 0.472 nan 8.240 nan 0.000 0.500 1330 V N 3.666 123.680 119.914 0.167 0.000 2.482 1330 V HA 0.822 4.942 4.120 0.000 0.000 0.295 1330 V C 0.171 176.371 176.094 0.177 0.000 1.026 1330 V CA 0.022 62.466 62.300 0.240 0.000 0.856 1330 V CB 1.110 33.130 31.823 0.328 0.000 1.001 1330 V HN 1.130 nan 8.190 nan 0.000 0.424 1331 G N 3.513 112.414 108.800 0.167 0.000 2.521 1331 G HA2 0.580 4.541 3.960 0.000 0.000 0.323 1331 G HA3 0.580 4.541 3.960 0.000 0.000 0.323 1331 G C -0.842 174.129 174.900 0.118 0.000 1.211 1331 G CA -0.441 44.737 45.100 0.130 0.000 0.979 1331 G HN 1.228 nan 8.290 nan 0.000 0.490 1332 V N 1.931 121.904 119.914 0.098 0.000 2.257 1332 V HA 0.465 4.585 4.120 0.000 0.000 0.269 1332 V C 0.359 176.496 176.094 0.072 0.000 1.040 1332 V CA -0.699 61.650 62.300 0.082 0.000 0.813 1332 V CB 0.024 31.895 31.823 0.080 0.000 1.065 1332 V HN 0.707 nan 8.190 nan 0.000 0.457 1333 L N 5.812 127.072 121.223 0.062 0.000 2.348 1333 L HA 0.460 4.800 4.340 0.000 0.000 0.200 1333 L C 0.677 177.579 176.870 0.053 0.000 1.154 1333 L CA 0.938 55.813 54.840 0.060 0.000 0.856 1333 L CB 1.002 43.087 42.059 0.044 0.000 1.297 1333 L HN 0.722 nan 8.230 nan 0.000 0.550 1334 S N -0.985 114.748 115.700 0.054 0.000 2.697 1334 S HA 0.349 4.820 4.470 0.000 0.000 0.289 1334 S C 0.492 175.117 174.600 0.043 0.000 1.149 1334 S CA -0.660 57.569 58.200 0.049 0.000 0.850 1334 S CB 1.592 64.824 63.200 0.053 0.000 1.151 1334 S HN 0.543 nan 8.310 nan 0.000 0.491 1335 M N 1.883 121.506 119.600 0.038 0.000 2.346 1335 M HA -0.065 4.415 4.480 0.000 0.000 0.263 1335 M C 0.580 176.902 176.300 0.037 0.000 1.064 1335 M CA 1.444 56.763 55.300 0.032 0.000 1.083 1335 M CB -0.741 31.876 32.600 0.028 0.000 1.399 1335 M HN 0.665 nan 8.290 nan 0.000 0.435 1336 D N -3.244 117.186 120.400 0.050 0.000 2.433 1336 D HA 0.237 4.878 4.640 0.000 0.000 0.211 1336 D C 0.658 177.005 176.300 0.078 0.000 1.114 1336 D CA 0.288 54.327 54.000 0.065 0.000 0.837 1336 D CB -0.112 40.729 40.800 0.068 0.000 0.984 1336 D HN 0.079 nan 8.370 nan 0.000 0.505 1337 S N -0.824 114.923 115.700 0.078 0.000 3.011 1337 S HA -0.300 4.171 4.470 0.000 0.000 0.278 1337 S C 1.705 176.360 174.600 0.092 0.000 1.300 1337 S CA 1.012 59.274 58.200 0.103 0.000 1.248 1337 S CB -1.896 61.395 63.200 0.151 0.000 1.517 1337 S HN 0.614 nan 8.310 nan 0.000 0.685 1338 S N 2.614 118.354 115.700 0.068 0.000 2.399 1338 S HA -0.299 4.171 4.470 0.000 0.000 0.235 1338 S C 1.286 175.915 174.600 0.048 0.000 1.063 1338 S CA 1.621 59.850 58.200 0.048 0.000 1.070 1338 S CB -0.719 62.507 63.200 0.043 0.000 0.904 1338 S HN 0.960 nan 8.310 nan 0.000 0.456 1339 N N 1.291 120.028 118.700 0.061 0.000 2.322 1339 N HA 0.107 4.847 4.740 0.000 0.000 0.216 1339 N C 1.142 176.702 175.510 0.083 0.000 1.144 1339 N CA 0.320 53.407 53.050 0.062 0.000 0.830 1339 N CB 0.272 38.795 38.487 0.060 0.000 1.034 1339 N HN 0.370 nan 8.380 nan 0.000 0.484 1340 V N 0.961 120.939 119.914 0.107 0.000 2.594 1340 V HA -0.224 3.896 4.120 0.000 0.000 0.253 1340 V C 2.084 178.261 176.094 0.137 0.000 1.069 1340 V CA 1.245 63.642 62.300 0.161 0.000 1.082 1340 V CB -0.306 31.678 31.823 0.268 0.000 0.680 1340 V HN 0.347 nan 8.190 nan 0.000 0.469 1341 L N -0.146 121.127 121.223 0.083 0.000 1.924 1341 L HA -0.191 4.149 4.340 0.000 0.000 0.222 1341 L C 2.341 179.242 176.870 0.051 0.000 1.081 1341 L CA 2.321 57.189 54.840 0.047 0.000 0.780 1341 L CB -1.842 40.224 42.059 0.012 0.000 0.891 1341 L HN 0.225 nan 8.230 nan 0.000 0.434 1342 Q N -0.490 119.336 119.800 0.044 0.000 2.541 1342 Q HA -0.025 4.316 4.340 0.000 0.000 0.216 1342 Q C 1.277 177.317 176.000 0.066 0.000 0.968 1342 Q CA 0.581 56.411 55.803 0.045 0.000 0.989 1342 Q CB -0.147 28.613 28.738 0.037 0.000 0.991 1342 Q HN 0.526 nan 8.270 nan 0.000 0.549 1343 L N -1.764 119.509 121.223 0.085 0.000 2.445 1343 L HA 0.235 4.576 4.340 0.000 0.000 0.207 1343 L C 1.407 178.348 176.870 0.118 0.000 1.053 1343 L CA 0.862 55.763 54.840 0.102 0.000 0.841 1343 L CB 0.045 42.172 42.059 0.113 0.000 1.074 1343 L HN 0.276 nan 8.230 nan 0.000 0.479 1344 I N -0.363 120.284 120.570 0.128 0.000 2.179 1344 I HA -0.260 3.911 4.170 0.000 0.000 0.242 1344 I C 2.408 178.612 176.117 0.146 0.000 1.088 1344 I CA 1.619 63.008 61.300 0.147 0.000 1.357 1344 I CB -0.524 37.563 38.000 0.145 0.000 1.051 1344 I HN 0.275 nan 8.210 nan 0.000 0.409 1345 V N -0.154 119.819 119.914 0.098 0.000 2.215 1345 V HA -0.318 3.802 4.120 0.000 0.000 0.246 1345 V C 1.955 178.133 176.094 0.140 0.000 1.047 1345 V CA 2.292 64.644 62.300 0.086 0.000 0.999 1345 V CB -1.304 30.537 31.823 0.030 0.000 0.635 1345 V HN 0.271 nan 8.190 nan 0.000 0.450 1346 D N 1.249 121.713 120.400 0.106 0.000 2.292 1346 D HA -0.165 4.475 4.640 0.000 0.000 0.205 1346 D C 2.055 178.430 176.300 0.124 0.000 0.994 1346 D CA 1.993 56.057 54.000 0.107 0.000 0.897 1346 D CB -0.483 40.369 40.800 0.085 0.000 0.907 1346 D HN 0.689 nan 8.370 nan 0.000 0.467 1347 A N -0.119 122.786 122.820 0.141 0.000 1.843 1347 A HA -0.133 4.187 4.320 0.000 0.000 0.213 1347 A C 2.125 179.799 177.584 0.149 0.000 1.202 1347 A CA 1.158 53.273 52.037 0.131 0.000 0.607 1347 A CB -1.227 17.854 19.000 0.134 0.000 0.847 1347 A HN 0.287 nan 8.150 nan 0.000 0.445 1348 Y N 0.795 121.131 120.300 0.061 0.000 1.977 1348 Y HA -0.309 4.241 4.550 0.000 0.000 0.264 1348 Y C 2.509 178.442 175.900 0.056 0.000 1.167 1348 Y CA 2.288 60.423 58.100 0.059 0.000 1.102 1348 Y CB -0.896 37.597 38.460 0.055 0.000 0.948 1348 Y HN 0.265 nan 8.280 nan 0.000 0.489 1349 G N -0.217 108.823 108.800 0.399 0.000 2.553 1349 G HA2 -0.432 3.528 3.960 0.000 0.000 0.218 1349 G HA3 -0.432 3.528 3.960 0.000 0.000 0.218 1349 G C 1.674 176.631 174.900 0.095 0.000 1.195 1349 G CA 1.343 46.591 45.100 0.247 0.000 0.779 1349 G HN 0.488 nan 8.290 nan 0.000 0.577 1350 K N 0.514 120.966 120.400 0.087 0.000 2.127 1350 K HA -0.152 4.168 4.320 0.000 0.000 0.208 1350 K C 2.511 179.123 176.600 0.020 0.000 1.047 1350 K CA 1.724 58.043 56.287 0.054 0.000 0.927 1350 K CB -0.315 32.221 32.500 0.060 0.000 0.716 1350 K HN 0.591 nan 8.250 nan 0.000 0.450 1351 I N -1.730 118.831 120.570 -0.014 0.000 2.277 1351 I HA -0.126 4.044 4.170 0.000 0.000 0.243 1351 I C 1.360 177.447 176.117 -0.049 0.000 1.094 1351 I CA 0.725 61.997 61.300 -0.047 0.000 1.393 1351 I CB -0.205 37.742 38.000 -0.088 0.000 1.078 1351 I HN -0.027 nan 8.210 nan 0.000 0.417 1352 R N 1.944 122.382 120.500 -0.103 0.000 2.357 1352 R HA -0.006 4.334 4.340 0.000 0.000 0.202 1352 R C 2.045 178.364 176.300 0.031 0.000 1.047 1352 R CA 1.044 57.113 56.100 -0.052 0.000 1.034 1352 R CB -1.036 29.197 30.300 -0.111 0.000 0.875 1352 R HN 0.693 nan 8.270 nan 0.000 0.473 1353 S N -0.091 115.627 115.700 0.029 0.000 2.593 1353 S HA 0.049 4.519 4.470 0.000 0.000 0.217 1353 S C 0.477 175.102 174.600 0.043 0.000 0.966 1353 S CA -0.331 57.896 58.200 0.045 0.000 0.914 1353 S CB -0.037 63.189 63.200 0.043 0.000 0.776 1353 S HN 0.359 nan 8.310 nan 0.000 0.523 1354 K N -0.786 119.636 120.400 0.038 0.000 2.533 1354 K HA 0.740 5.060 4.320 0.000 0.000 0.272 1354 K C -1.866 174.741 176.600 0.013 0.000 0.985 1354 K CA -1.116 55.188 56.287 0.028 0.000 0.876 1354 K CB 1.906 34.409 32.500 0.006 0.000 1.452 1354 K HN -0.089 nan 8.250 nan 0.000 0.439 1355 V N 1.508 121.427 119.914 0.008 0.000 2.509 1355 V HA 0.270 4.390 4.120 0.000 0.000 0.289 1355 V C -1.241 174.814 176.094 -0.064 0.000 1.026 1355 V CA -0.599 61.666 62.300 -0.057 0.000 0.872 1355 V CB 1.469 33.325 31.823 0.055 0.000 1.017 1355 V HN 0.762 nan 8.190 nan 0.000 0.436 1356 E N 4.025 124.098 120.200 -0.212 0.000 2.171 1356 E HA 0.516 4.866 4.350 0.000 0.000 0.271 1356 E C -1.276 175.089 176.600 -0.391 0.000 0.916 1356 E CA -1.036 55.201 56.400 -0.271 0.000 0.774 1356 E CB 2.889 32.460 29.700 -0.216 0.000 1.128 1356 E HN 0.304 nan 8.360 nan 0.000 0.403 1357 L N 3.506 124.402 121.223 -0.544 0.000 2.290 1357 L HA 0.170 4.510 4.340 0.000 0.000 0.284 1357 L C 0.152 176.794 176.870 -0.381 0.000 1.078 1357 L CA 0.180 54.713 54.840 -0.511 0.000 0.815 1357 L CB 0.668 42.299 42.059 -0.713 0.000 1.162 1357 L HN 0.539 nan 8.230 nan 0.000 0.435 1358 E N 2.972 123.029 120.200 -0.239 0.000 2.263 1358 E HA 0.684 5.034 4.350 0.000 0.000 0.264 1358 E C -1.535 175.031 176.600 -0.057 0.000 0.923 1358 E CA -1.001 55.298 56.400 -0.167 0.000 0.802 1358 E CB 2.023 31.640 29.700 -0.140 0.000 1.228 1358 E HN 0.185 nan 8.360 nan 0.000 0.417 1359 V N 2.137 122.037 119.914 -0.022 0.000 2.304 1359 V HA 0.373 4.493 4.120 0.000 0.000 0.278 1359 V C -0.220 175.910 176.094 0.060 0.000 1.018 1359 V CA -0.769 61.577 62.300 0.075 0.000 0.814 1359 V CB 0.509 32.386 31.823 0.090 0.000 1.021 1359 V HN 0.596 nan 8.190 nan 0.000 0.440 1360 R N 3.068 123.624 120.500 0.094 0.000 2.349 1360 R HA 0.405 4.745 4.340 0.000 0.000 0.299 1360 R C 0.003 176.378 176.300 0.125 0.000 1.027 1360 R CA -0.502 55.642 56.100 0.073 0.000 0.958 1360 R CB 0.655 30.985 30.300 0.051 0.000 1.047 1360 R HN 0.780 nan 8.270 nan 0.000 0.468 1361 D N 1.161 121.610 120.400 0.082 0.000 2.837 1361 D HA -0.199 4.441 4.640 0.000 0.000 0.230 1361 D C -0.234 176.133 176.300 0.112 0.000 1.152 1361 D CA 0.605 54.662 54.000 0.095 0.000 0.736 1361 D CB -0.718 40.150 40.800 0.114 0.000 1.084 1361 D HN 0.224 nan 8.370 nan 0.000 0.429 1362 L N 0.710 121.933 121.223 0.001 0.000 2.456 1362 L HA 0.262 4.602 4.340 0.000 0.000 0.272 1362 L C -1.810 174.978 176.870 -0.136 0.000 1.189 1362 L CA -0.301 54.389 54.840 -0.249 0.000 0.846 1362 L CB 0.283 42.120 42.059 -0.370 0.000 1.111 1362 L HN -0.259 nan 8.230 nan 0.000 0.475 1363 P HA 0.105 nan 4.420 nan 0.000 0.272 1363 P C -0.057 177.222 177.300 -0.036 0.000 1.240 1363 P CA -0.333 62.760 63.100 -0.012 0.000 0.791 1363 P CB 0.470 32.230 31.700 0.099 0.000 0.978 1364 E N 0.880 121.069 120.200 -0.019 0.000 1.998 1364 E HA -0.207 4.143 4.350 0.000 0.000 0.196 1364 E C 0.728 177.318 176.600 -0.017 0.000 1.003 1364 E CA 1.021 57.408 56.400 -0.022 0.000 0.829 1364 E CB -0.692 28.993 29.700 -0.025 0.000 0.777 1364 E HN 0.342 nan 8.360 nan 0.000 0.460 1365 E N 0.565 120.747 120.200 -0.031 0.000 2.505 1365 E HA 0.033 4.383 4.350 0.000 0.000 0.197 1365 E C -0.169 176.449 176.600 0.030 0.000 1.111 1365 E CA 0.063 56.453 56.400 -0.015 0.000 0.887 1365 E CB -0.151 29.512 29.700 -0.062 0.000 0.913 1365 E HN 0.153 nan 8.360 nan 0.000 0.517 1366 L N 0.635 121.877 121.223 0.032 0.000 2.289 1366 L HA 0.202 4.542 4.340 0.000 0.000 0.285 1366 L C -0.191 176.670 176.870 -0.015 0.000 1.049 1366 L CA -0.227 54.639 54.840 0.043 0.000 0.804 1366 L CB 1.712 43.781 42.059 0.016 0.000 1.195 1366 L HN -0.290 nan 8.230 nan 0.000 0.428 1367 S N 4.695 120.396 115.700 0.001 0.000 2.509 1367 S HA 0.729 5.200 4.470 0.000 0.000 0.297 1367 S C -1.003 173.570 174.600 -0.044 0.000 1.118 1367 S CA -0.423 57.769 58.200 -0.012 0.000 1.074 1367 S CB 1.513 64.721 63.200 0.014 0.000 1.038 1367 S HN 0.444 nan 8.310 nan 0.000 0.498 1368 L N 2.815 124.009 121.223 -0.048 0.000 2.485 1368 L HA 0.435 4.775 4.340 0.000 0.000 0.260 1368 L C -0.158 176.646 176.870 -0.110 0.000 0.998 1368 L CA 0.106 54.870 54.840 -0.127 0.000 0.883 1368 L CB 1.416 43.422 42.059 -0.089 0.000 1.196 1368 L HN 0.650 nan 8.230 nan 0.000 0.443 1369 S N 2.973 118.562 115.700 -0.186 0.000 2.554 1369 S HA 0.793 5.263 4.470 0.000 0.000 0.278 1369 S C -0.563 173.894 174.600 -0.238 0.000 1.242 1369 S CA -0.182 57.982 58.200 -0.060 0.000 1.051 1369 S CB 0.444 63.619 63.200 -0.042 0.000 0.986 1369 S HN 0.230 nan 8.310 nan 0.000 0.502 1370 F N 2.542 122.443 119.950 -0.081 0.000 2.575 1370 F HA 0.603 5.130 4.527 -0.000 0.000 0.330 1370 F C 0.692 176.472 175.800 -0.034 0.000 1.056 1370 F CA -1.035 56.922 58.000 -0.072 0.000 0.964 1370 F CB 1.484 40.438 39.000 -0.076 0.000 1.258 1370 F HN 0.454 nan 8.300 nan 0.000 0.484 1371 N N 0.304 119.128 118.700 0.207 0.000 2.369 1371 N HA 0.646 5.386 4.740 0.000 0.000 0.287 1371 N C -1.768 173.857 175.510 0.192 0.000 1.067 1371 N CA -0.371 52.758 53.050 0.131 0.000 0.888 1371 N CB 2.564 41.079 38.487 0.048 0.000 1.616 1371 N HN 0.744 nan 8.380 nan 0.000 0.482 1372 A N 1.171 124.090 122.820 0.165 0.000 2.355 1372 A HA 0.779 5.099 4.320 0.000 0.000 0.324 1372 A C -0.592 176.985 177.584 -0.012 0.000 1.117 1372 A CA -0.385 51.748 52.037 0.159 0.000 0.785 1372 A CB 1.040 20.212 19.000 0.286 0.000 1.254 1372 A HN 0.427 nan 8.150 nan 0.000 0.453 1373 T N 1.475 115.935 114.554 -0.157 0.000 2.892 1373 T HA 0.380 4.730 4.350 0.000 0.000 0.311 1373 T C -0.099 174.473 174.700 -0.212 0.000 1.033 1373 T CA -0.292 61.723 62.100 -0.142 0.000 0.991 1373 T CB 0.652 69.447 68.868 -0.121 0.000 0.981 1373 T HN 0.624 nan 8.240 nan 0.000 0.457 1374 c N 2.854 121.378 118.600 -0.127 0.000 3.757 1374 c HA 0.405 4.975 4.570 0.000 0.000 0.358 1374 c C 0.244 174.302 174.090 -0.053 0.000 1.484 1374 c CA -0.284 55.976 56.329 -0.115 0.000 1.862 1374 c CB -0.250 42.213 42.510 -0.078 0.000 2.654 1374 c HN 0.683 nan 8.230 nan 0.000 0.699 1375 L N 3.519 124.722 121.223 -0.032 0.000 2.445 1375 L HA 0.408 4.748 4.340 0.000 0.000 0.252 1375 L C -0.458 176.384 176.870 -0.047 0.000 1.105 1375 L CA -0.135 54.691 54.840 -0.025 0.000 0.943 1375 L CB -0.445 41.623 42.059 0.015 0.000 1.277 1375 L HN 0.480 nan 8.230 nan 0.000 0.465 1376 N N 3.425 122.092 118.700 -0.055 0.000 2.694 1376 N HA -0.323 4.417 4.740 0.000 0.000 0.309 1376 N C 0.503 175.982 175.510 -0.052 0.000 1.226 1376 N CA 1.157 54.174 53.050 -0.055 0.000 0.696 1376 N CB -0.626 37.827 38.487 -0.057 0.000 1.035 1376 N HN 0.742 nan 8.380 nan 0.000 0.542 1377 N N -1.076 117.596 118.700 -0.048 0.000 2.282 1377 N HA -0.281 4.459 4.740 0.000 0.000 0.222 1377 N C -0.897 174.592 175.510 -0.036 0.000 0.937 1377 N CA 2.170 55.195 53.050 -0.041 0.000 2.775 1377 N CB -1.253 37.211 38.487 -0.039 0.000 0.817 1377 N HN 0.914 nan 8.380 nan 0.000 0.463 1378 E N 2.229 122.408 120.200 -0.035 0.000 2.383 1378 E HA 0.271 4.621 4.350 0.000 0.000 0.257 1378 E C 0.233 176.823 176.600 -0.017 0.000 1.079 1378 E CA -0.059 56.328 56.400 -0.022 0.000 0.934 1378 E CB 0.650 30.340 29.700 -0.016 0.000 0.978 1378 E HN 0.327 nan 8.360 nan 0.000 0.462 1379 V N 1.941 121.848 119.914 -0.012 0.000 2.398 1379 V HA 0.455 4.575 4.120 0.000 0.000 0.286 1379 V C 0.131 176.228 176.094 0.006 0.000 1.026 1379 V CA -0.940 61.355 62.300 -0.008 0.000 0.868 1379 V CB 0.891 32.708 31.823 -0.011 0.000 0.982 1379 V HN 0.590 nan 8.190 nan 0.000 0.443 1380 I N 2.591 123.170 120.570 0.015 0.000 2.377 1380 I HA 0.506 4.676 4.170 0.000 0.000 0.282 1380 I C -2.225 173.911 176.117 0.031 0.000 1.091 1380 I CA -2.117 59.196 61.300 0.022 0.000 1.207 1380 I CB 1.069 39.084 38.000 0.026 0.000 1.429 1380 I HN 0.431 nan 8.210 nan 0.000 0.491 1381 P HA 0.025 nan 4.420 nan 0.000 0.256 1381 P C 0.829 178.147 177.300 0.031 0.000 1.173 1381 P CA 1.374 64.491 63.100 0.029 0.000 0.768 1381 P CB 0.989 32.700 31.700 0.018 0.000 0.758 1382 G N 2.961 111.789 108.800 0.047 0.000 2.905 1382 G HA2 -0.184 3.776 3.960 0.000 0.000 0.199 1382 G HA3 -0.184 3.776 3.960 0.000 0.000 0.199 1382 G C 0.086 175.002 174.900 0.027 0.000 1.370 1382 G CA -0.294 44.826 45.100 0.033 0.000 0.966 1382 G HN 0.477 nan 8.290 nan 0.000 0.522 1383 L N 1.339 122.576 121.223 0.024 0.000 2.425 1383 L HA 0.509 4.849 4.340 0.000 0.000 0.225 1383 L C 1.285 178.165 176.870 0.016 0.000 1.222 1383 L CA 1.054 55.894 54.840 -0.000 0.000 0.832 1383 L CB 0.362 42.433 42.059 0.020 0.000 1.238 1383 L HN 0.652 nan 8.230 nan 0.000 0.533 1384 K N -0.979 119.385 120.400 -0.059 0.000 3.542 1384 K HA 0.245 4.566 4.320 0.000 0.000 0.161 1384 K C -1.166 175.262 176.600 -0.286 0.000 1.001 1384 K CA -0.395 55.782 56.287 -0.182 0.000 0.817 1384 K CB 0.258 32.407 32.500 -0.584 0.000 0.742 1384 K HN 0.540 nan 8.250 nan 0.000 0.466 1385 S N -0.596 115.121 115.700 0.030 0.000 2.567 1385 S HA 0.742 5.212 4.470 0.000 0.000 0.270 1385 S C -0.902 173.780 174.600 0.137 0.000 1.152 1385 S CA -0.710 57.502 58.200 0.021 0.000 0.835 1385 S CB 1.768 64.914 63.200 -0.089 0.000 1.115 1385 S HN 0.327 nan 8.310 nan 0.000 0.459 1386 c N 1.999 120.670 118.600 0.118 0.000 3.082 1386 c HA 0.864 5.434 4.570 0.000 0.000 0.324 1386 c C -0.340 173.781 174.090 0.051 0.000 1.210 1386 c CA -0.798 55.583 56.329 0.086 0.000 1.366 1386 c CB 1.228 43.793 42.510 0.092 0.000 1.756 1386 c HN 1.139 nan 8.230 nan 0.000 0.485 1387 M N 0.688 120.312 119.600 0.041 0.000 2.745 1387 M HA 0.811 5.291 4.480 0.000 0.000 0.290 1387 M C 0.726 177.054 176.300 0.046 0.000 1.262 1387 M CA 0.217 55.539 55.300 0.035 0.000 0.795 1387 M CB 1.131 33.745 32.600 0.022 0.000 1.758 1387 M HN 1.206 nan 8.290 nan 0.000 0.461 1388 G N 1.028 109.855 108.800 0.045 0.000 2.249 1388 G HA2 -0.159 3.801 3.960 0.000 0.000 0.273 1388 G HA3 -0.159 3.801 3.960 0.000 0.000 0.273 1388 G C -0.495 174.440 174.900 0.059 0.000 1.036 1388 G CA 0.380 45.513 45.100 0.055 0.000 0.824 1388 G HN 0.623 nan 8.290 nan 0.000 0.504 1389 L N -0.838 120.416 121.223 0.053 0.000 2.399 1389 L HA 0.570 4.910 4.340 0.000 0.000 0.265 1389 L C 0.773 177.675 176.870 0.053 0.000 1.089 1389 L CA -0.934 53.937 54.840 0.051 0.000 0.802 1389 L CB 1.368 43.458 42.059 0.052 0.000 1.180 1389 L HN 0.180 nan 8.230 nan 0.000 0.454 1390 K N 1.979 122.408 120.400 0.047 0.000 2.213 1390 K HA 0.373 4.693 4.320 0.000 0.000 0.270 1390 K C -0.661 175.972 176.600 0.056 0.000 1.002 1390 K CA -0.850 55.467 56.287 0.049 0.000 0.868 1390 K CB 1.077 33.598 32.500 0.036 0.000 1.093 1390 K HN 0.333 nan 8.250 nan 0.000 0.454 1391 I N 3.884 124.497 120.570 0.072 0.000 2.919 1391 I HA -0.067 4.103 4.170 0.000 0.000 0.299 1391 I C 1.420 177.572 176.117 0.058 0.000 1.221 1391 I CA 1.638 62.986 61.300 0.081 0.000 1.424 1391 I CB -0.126 37.944 38.000 0.117 0.000 1.358 1391 I HN 1.023 nan 8.210 nan 0.000 0.551 1392 G N 3.248 112.076 108.800 0.047 0.000 2.201 1392 G HA2 -0.196 3.764 3.960 0.000 0.000 0.212 1392 G HA3 -0.196 3.764 3.960 0.000 0.000 0.212 1392 G C -0.102 174.810 174.900 0.020 0.000 0.994 1392 G CA -0.316 44.800 45.100 0.027 0.000 0.644 1392 G HN 0.567 nan 8.290 nan 0.000 0.508 1393 D N 0.840 121.257 120.400 0.028 0.000 2.283 1393 D HA 0.653 5.293 4.640 0.000 0.000 0.248 1393 D C 0.363 176.675 176.300 0.020 0.000 1.072 1393 D CA 0.474 54.485 54.000 0.018 0.000 0.929 1393 D CB 1.258 42.070 40.800 0.020 0.000 1.182 1393 D HN 0.057 nan 8.370 nan 0.000 0.433 1394 T N 0.162 114.716 114.554 0.001 0.000 2.885 1394 T HA 0.632 4.982 4.350 0.000 0.000 0.285 1394 T C -0.357 174.313 174.700 -0.049 0.000 1.019 1394 T CA -0.726 61.370 62.100 -0.007 0.000 1.010 1394 T CB 1.380 70.242 68.868 -0.011 0.000 1.022 1394 T HN 0.235 nan 8.240 nan 0.000 0.466 1395 V N -0.630 119.233 119.914 -0.085 0.000 3.141 1395 V HA 1.007 5.127 4.120 0.000 0.000 0.312 1395 V C -0.519 175.379 176.094 -0.327 0.000 1.157 1395 V CA -0.949 61.215 62.300 -0.226 0.000 1.041 1395 V CB 1.926 33.572 31.823 -0.294 0.000 1.071 1395 V HN 0.862 nan 8.190 nan 0.000 0.441 1396 S N 0.430 115.812 115.700 -0.530 0.000 2.541 1396 S HA 0.866 5.336 4.470 0.000 0.000 0.280 1396 S C -1.559 172.645 174.600 -0.660 0.000 1.112 1396 S CA -0.458 57.481 58.200 -0.435 0.000 0.925 1396 S CB 1.281 64.366 63.200 -0.192 0.000 1.067 1396 S HN 0.687 nan 8.310 nan 0.000 0.479 1397 F N 1.729 121.693 119.950 0.023 0.000 2.551 1397 F HA 0.606 5.133 4.527 0.000 0.000 0.316 1397 F C 0.412 176.203 175.800 -0.016 0.000 1.089 1397 F CA -0.790 57.229 58.000 0.031 0.000 0.915 1397 F CB 2.400 41.450 39.000 0.085 0.000 1.186 1397 F HN 0.524 nan 8.300 nan 0.000 0.456 1398 S N 3.836 119.612 115.700 0.128 0.000 2.498 1398 S HA 0.680 5.150 4.470 0.000 0.000 0.324 1398 S C -0.734 173.723 174.600 -0.239 0.000 1.071 1398 S CA -0.426 57.733 58.200 -0.069 0.000 1.113 1398 S CB 0.011 63.175 63.200 -0.059 0.000 0.976 1398 S HN 0.496 nan 8.310 nan 0.000 0.462 1399 I N 3.740 123.946 120.570 -0.606 0.000 2.498 1399 I HA 0.481 4.651 4.170 0.000 0.000 0.301 1399 I C 0.233 175.785 176.117 -0.942 0.000 0.984 1399 I CA -0.608 60.098 61.300 -0.991 0.000 1.204 1399 I CB 1.662 38.862 38.000 -1.334 0.000 1.362 1399 I HN 0.577 nan 8.210 nan 0.000 0.471 1400 E N 4.629 124.448 120.200 -0.636 0.000 2.199 1400 E HA 0.667 5.017 4.350 0.000 0.000 0.265 1400 E C -1.572 174.908 176.600 -0.200 0.000 0.882 1400 E CA -0.754 55.447 56.400 -0.331 0.000 0.759 1400 E CB 2.060 31.640 29.700 -0.200 0.000 1.148 1400 E HN 0.725 nan 8.360 nan 0.000 0.412 1401 A N 4.562 127.376 122.820 -0.011 0.000 2.325 1401 A HA 0.651 4.971 4.320 0.000 0.000 0.333 1401 A C -0.758 176.851 177.584 0.042 0.000 1.155 1401 A CA -0.589 51.490 52.037 0.071 0.000 0.814 1401 A CB 1.117 20.254 19.000 0.227 0.000 1.206 1401 A HN 0.575 nan 8.150 nan 0.000 0.482 1402 K N 1.438 121.863 120.400 0.042 0.000 2.571 1402 K HA 0.473 4.793 4.320 0.000 0.000 0.252 1402 K C -2.053 174.601 176.600 0.089 0.000 0.956 1402 K CA -0.427 55.892 56.287 0.053 0.000 0.822 1402 K CB 2.184 34.702 32.500 0.030 0.000 1.286 1402 K HN 0.685 nan 8.250 nan 0.000 0.439 1403 V N 4.042 124.035 119.914 0.132 0.000 2.532 1403 V HA 0.556 4.676 4.120 0.000 0.000 0.295 1403 V C -0.807 175.355 176.094 0.112 0.000 1.041 1403 V CA -0.670 61.744 62.300 0.190 0.000 0.926 1403 V CB 1.524 33.588 31.823 0.402 0.000 0.992 1403 V HN 0.809 nan 8.190 nan 0.000 0.457 1404 R N 4.758 125.302 120.500 0.072 0.000 2.239 1404 R HA 0.609 4.949 4.340 0.000 0.000 0.332 1404 R C 0.615 176.923 176.300 0.013 0.000 0.988 1404 R CA 0.779 56.903 56.100 0.039 0.000 0.859 1404 R CB 0.541 30.859 30.300 0.030 0.000 1.148 1404 R HN 1.382 nan 8.270 nan 0.000 0.482 1405 G N 2.254 111.065 108.800 0.018 0.000 2.596 1405 G HA2 -0.290 3.670 3.960 0.000 0.000 0.258 1405 G HA3 -0.290 3.670 3.960 0.000 0.000 0.258 1405 G C -0.904 173.988 174.900 -0.013 0.000 1.207 1405 G CA -0.123 44.973 45.100 -0.006 0.000 0.954 1405 G HN 0.867 nan 8.290 nan 0.000 0.551 1406 c N 2.387 120.931 118.600 -0.093 0.000 3.122 1406 c HA 0.585 5.155 4.570 0.000 0.000 0.415 1406 c C -1.335 172.593 174.090 -0.270 0.000 1.033 1406 c CA -0.013 56.217 56.329 -0.166 0.000 1.262 1406 c CB 0.231 42.718 42.510 -0.037 0.000 1.641 1406 c HN 0.975 nan 8.230 nan 0.000 0.540 1407 P HA 0.328 nan 4.420 nan 0.000 0.342 1407 P C -1.135 176.021 177.300 -0.240 0.000 1.369 1407 P CA 0.275 63.142 63.100 -0.389 0.000 0.800 1407 P CB 0.458 31.830 31.700 -0.547 0.000 1.884 1408 Q N 0.254 119.953 119.800 -0.169 0.000 2.316 1408 Q HA 0.245 4.585 4.340 0.000 0.000 0.264 1408 Q C 0.050 176.042 176.000 -0.014 0.000 0.987 1408 Q CA -0.641 55.119 55.803 -0.070 0.000 0.852 1408 Q CB 1.356 30.066 28.738 -0.047 0.000 1.287 1408 Q HN 0.349 nan 8.270 nan 0.000 0.448 1409 E N 1.916 122.136 120.200 0.033 0.000 2.598 1409 E HA -0.080 4.270 4.350 0.000 0.000 0.273 1409 E C -0.201 176.444 176.600 0.075 0.000 1.029 1409 E CA 0.998 57.449 56.400 0.085 0.000 0.985 1409 E CB 0.473 30.208 29.700 0.058 0.000 0.988 1409 E HN 0.438 nan 8.360 nan 0.000 0.460 1410 K N 1.103 121.564 120.400 0.101 0.000 2.931 1410 K HA -0.029 4.291 4.320 0.000 0.000 0.321 1410 K C -0.314 176.339 176.600 0.089 0.000 1.191 1410 K CA -0.362 55.972 56.287 0.079 0.000 0.954 1410 K CB 0.516 33.059 32.500 0.072 0.000 1.350 1410 K HN 0.190 nan 8.250 nan 0.000 0.396 1411 E N 2.138 122.370 120.200 0.053 0.000 2.526 1411 E HA -0.100 4.250 4.350 0.000 0.000 0.206 1411 E C -0.457 176.175 176.600 0.054 0.000 1.139 1411 E CA 0.554 56.975 56.400 0.034 0.000 0.913 1411 E CB -0.088 29.620 29.700 0.013 0.000 0.868 1411 E HN 0.274 nan 8.360 nan 0.000 0.564 1412 K N 1.855 122.318 120.400 0.105 0.000 2.356 1412 K HA -0.140 4.180 4.320 0.000 0.000 0.252 1412 K C -0.546 176.138 176.600 0.139 0.000 1.187 1412 K CA 0.474 56.852 56.287 0.152 0.000 1.227 1412 K CB -0.162 32.494 32.500 0.260 0.000 0.758 1412 K HN 0.012 nan 8.250 nan 0.000 0.510 1413 S N 4.232 119.999 115.700 0.112 0.000 2.733 1413 S HA 0.553 5.023 4.470 0.000 0.000 0.294 1413 S C -0.468 174.187 174.600 0.092 0.000 1.149 1413 S CA -1.144 57.079 58.200 0.038 0.000 1.034 1413 S CB 0.580 63.750 63.200 -0.050 0.000 1.015 1413 S HN 0.431 nan 8.310 nan 0.000 0.486 1414 F N 0.563 120.517 119.950 0.006 0.000 2.572 1414 F HA 0.941 5.469 4.527 0.001 0.000 0.342 1414 F C 0.275 176.079 175.800 0.006 0.000 1.064 1414 F CA -0.602 57.407 58.000 0.014 0.000 1.008 1414 F CB 0.885 39.905 39.000 0.033 0.000 1.303 1414 F HN 0.657 nan 8.300 nan 0.000 0.492 1415 T N -0.774 113.879 114.554 0.164 0.000 2.883 1415 T HA 0.803 5.154 4.350 0.000 0.000 0.284 1415 T C -1.088 173.724 174.700 0.186 0.000 1.041 1415 T CA -0.774 61.347 62.100 0.035 0.000 1.007 1415 T CB 1.675 70.559 68.868 0.026 0.000 1.220 1415 T HN 0.735 nan 8.240 nan 0.000 0.552 1416 I N 1.451 122.082 120.570 0.103 0.000 2.685 1416 I HA 0.502 4.672 4.170 0.000 0.000 0.289 1416 I C -1.600 174.551 176.117 0.058 0.000 1.292 1416 I CA -0.949 60.432 61.300 0.135 0.000 1.050 1416 I CB 2.264 40.398 38.000 0.223 0.000 1.301 1416 I HN 0.982 nan 8.210 nan 0.000 0.425 1417 K N 4.845 125.248 120.400 0.004 0.000 2.625 1417 K HA 0.653 4.973 4.320 0.000 0.000 0.284 1417 K C -3.317 173.193 176.600 -0.150 0.000 0.984 1417 K CA -1.676 54.590 56.287 -0.034 0.000 0.865 1417 K CB 0.952 33.457 32.500 0.009 0.000 1.468 1417 K HN -0.004 nan 8.250 nan 0.000 0.407 1418 P HA 0.076 nan 4.420 nan 0.000 0.276 1418 P C -0.439 176.614 177.300 -0.413 0.000 1.230 1418 P CA -0.784 61.976 63.100 -0.568 0.000 0.776 1418 P CB 0.647 31.502 31.700 -1.409 0.000 0.888 1419 V N 0.927 120.640 119.914 -0.335 0.000 2.493 1419 V HA 0.402 4.522 4.120 0.000 0.000 0.292 1419 V C 1.401 177.426 176.094 -0.115 0.000 1.016 1419 V CA 0.790 62.974 62.300 -0.193 0.000 1.097 1419 V CB -0.676 31.043 31.823 -0.172 0.000 0.947 1419 V HN 0.980 nan 8.190 nan 0.000 0.479 1420 G N 3.576 112.361 108.800 -0.024 0.000 2.313 1420 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 1420 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 1420 G C -0.173 174.841 174.900 0.190 0.000 1.023 1420 G CA 0.027 45.159 45.100 0.053 0.000 0.626 1420 G HN 0.721 nan 8.290 nan 0.000 0.503 1421 F N 1.365 121.262 119.950 -0.088 0.000 2.459 1421 F HA 0.620 5.147 4.527 -0.001 0.000 0.346 1421 F C 1.402 177.171 175.800 -0.051 0.000 1.128 1421 F CA -0.149 57.821 58.000 -0.050 0.000 1.268 1421 F CB 1.474 40.456 39.000 -0.031 0.000 1.161 1421 F HN 0.146 nan 8.300 nan 0.000 0.583 1422 K N 0.836 121.309 120.400 0.121 0.000 2.128 1422 K HA -0.002 4.319 4.320 0.000 0.000 0.202 1422 K C 0.104 176.751 176.600 0.078 0.000 1.050 1422 K CA 0.825 57.153 56.287 0.068 0.000 0.966 1422 K CB -0.155 32.380 32.500 0.059 0.000 0.759 1422 K HN 0.509 nan 8.250 nan 0.000 0.454 1423 D N 0.539 120.992 120.400 0.089 0.000 2.362 1423 D HA 0.112 4.752 4.640 0.000 0.000 0.238 1423 D C -0.126 176.234 176.300 0.100 0.000 1.212 1423 D CA 0.843 54.890 54.000 0.077 0.000 0.902 1423 D CB 1.027 41.863 40.800 0.060 0.000 1.180 1423 D HN 0.418 nan 8.370 nan 0.000 0.445 1424 S N -0.474 115.263 115.700 0.062 0.000 2.633 1424 S HA 0.281 4.751 4.470 0.000 0.000 0.271 1424 S C -1.501 173.109 174.600 0.017 0.000 1.112 1424 S CA -1.042 57.187 58.200 0.047 0.000 0.828 1424 S CB 0.797 64.016 63.200 0.032 0.000 1.086 1424 S HN 0.255 nan 8.310 nan 0.000 0.461 1425 L N 2.038 123.266 121.223 0.009 0.000 2.321 1425 L HA 0.602 4.942 4.340 0.000 0.000 0.272 1425 L C -0.653 176.149 176.870 -0.113 0.000 1.050 1425 L CA -0.688 54.131 54.840 -0.035 0.000 0.893 1425 L CB -0.328 41.734 42.059 0.004 0.000 1.272 1425 L HN 0.744 nan 8.230 nan 0.000 0.435 1426 I N 4.337 124.828 120.570 -0.133 0.000 2.710 1426 I HA 0.039 4.209 4.170 0.000 0.000 0.286 1426 I C -0.247 175.665 176.117 -0.342 0.000 1.181 1426 I CA 0.224 61.401 61.300 -0.204 0.000 1.430 1426 I CB 0.727 38.639 38.000 -0.146 0.000 1.367 1426 I HN 0.268 nan 8.210 nan 0.000 0.577 1427 V N 6.956 126.528 119.914 -0.571 0.000 2.327 1427 V HA 0.131 4.251 4.120 0.000 0.000 0.272 1427 V C -0.173 175.529 176.094 -0.654 0.000 1.019 1427 V CA -0.725 61.134 62.300 -0.734 0.000 0.814 1427 V CB 1.250 32.415 31.823 -1.098 0.000 1.040 1427 V HN 0.735 nan 8.190 nan 0.000 0.440 1428 Q N 3.733 123.319 119.800 -0.356 0.000 2.344 1428 Q HA 0.556 4.897 4.340 0.000 0.000 0.253 1428 Q C -0.536 175.361 176.000 -0.173 0.000 1.050 1428 Q CA -0.346 55.334 55.803 -0.206 0.000 0.912 1428 Q CB 1.289 29.943 28.738 -0.140 0.000 1.258 1428 Q HN 0.416 nan 8.270 nan 0.000 0.443 1429 V N 3.113 122.968 119.914 -0.098 0.000 3.036 1429 V HA 0.435 4.555 4.120 0.000 0.000 0.308 1429 V C 0.274 176.232 176.094 -0.225 0.000 1.070 1429 V CA -0.176 62.018 62.300 -0.177 0.000 1.056 1429 V CB 1.785 33.525 31.823 -0.139 0.000 1.084 1429 V HN 0.934 nan 8.190 nan 0.000 0.471 1430 T N 2.473 116.768 114.554 -0.432 0.000 2.982 1430 T HA 0.570 4.920 4.350 0.000 0.000 0.321 1430 T C -1.342 173.054 174.700 -0.507 0.000 1.229 1430 T CA -0.225 61.710 62.100 -0.275 0.000 1.044 1430 T CB 1.095 69.889 68.868 -0.123 0.000 1.184 1430 T HN 0.259 nan 8.240 nan 0.000 0.477 1431 F N 1.988 121.942 119.950 0.006 0.000 2.427 1431 F HA 0.377 4.903 4.527 -0.001 0.000 0.348 1431 F C 0.420 176.218 175.800 -0.004 0.000 1.125 1431 F CA -1.163 56.840 58.000 0.005 0.000 0.989 1431 F CB 1.092 40.097 39.000 0.008 0.000 1.165 1431 F HN 0.386 nan 8.300 nan 0.000 0.442 1432 D N 3.412 123.873 120.400 0.102 0.000 2.456 1432 D HA 0.272 4.913 4.640 0.000 0.000 0.219 1432 D C -0.237 176.105 176.300 0.069 0.000 1.126 1432 D CA -0.002 54.033 54.000 0.058 0.000 0.890 1432 D CB 0.917 41.721 40.800 0.006 0.000 1.025 1432 D HN 0.647 nan 8.370 nan 0.000 0.511 1433 c N 2.980 121.620 118.600 0.068 0.000 3.386 1433 c HA 0.334 4.904 4.570 0.000 0.000 0.279 1433 c C 0.006 174.102 174.090 0.011 0.000 1.508 1433 c CA -0.622 55.735 56.329 0.048 0.000 1.801 1433 c CB -0.529 42.014 42.510 0.054 0.000 2.798 1433 c HN 0.462 nan 8.230 nan 0.000 0.605 1524 D N -0.563 119.868 120.400 0.052 0.000 2.706 1524 D HA 0.201 4.841 4.640 0.000 0.000 0.229 1524 D C -0.838 175.511 176.300 0.082 0.000 1.145 1524 D CA -0.384 53.673 54.000 0.094 0.000 0.746 1524 D CB -0.141 40.745 40.800 0.143 0.000 2.093 1524 D HN 0.354 nan 8.370 nan 0.000 0.473 1525 D N 0.469 120.906 120.400 0.061 0.000 2.277 1525 D HA 0.072 4.712 4.640 0.000 0.000 0.208 1525 D C 1.196 177.500 176.300 0.007 0.000 0.962 1525 D CA 0.364 54.362 54.000 -0.003 0.000 0.865 1525 D CB -0.064 40.697 40.800 -0.066 0.000 0.939 1525 D HN 0.239 nan 8.370 nan 0.000 0.510 1526 F N 1.561 121.506 119.950 -0.007 0.000 1.982 1526 F HA -0.132 4.395 4.527 0.000 0.000 0.299 1526 F C 1.485 177.284 175.800 -0.001 0.000 1.290 1526 F CA 0.976 58.974 58.000 -0.004 0.000 1.182 1526 F CB -0.879 38.120 39.000 -0.002 0.000 0.951 1526 F HN -0.271 nan 8.300 nan 0.000 0.513 1527 S N 0.813 116.683 115.700 0.283 0.000 2.808 1527 S HA 0.001 4.471 4.470 0.000 0.000 0.342 1527 S C 0.133 174.786 174.600 0.089 0.000 1.154 1527 S CA -0.457 57.828 58.200 0.143 0.000 1.476 1527 S CB -1.100 62.150 63.200 0.084 0.000 1.290 1527 S HN 0.401 nan 8.310 nan 0.000 0.582 1528 c N 3.854 122.502 118.600 0.080 0.000 2.769 1528 c HA 0.531 5.101 4.570 0.000 0.000 0.086 1528 c C 1.946 176.075 174.090 0.064 0.000 2.496 1528 c CA -0.308 56.048 56.329 0.045 0.000 1.923 1528 c CB -0.144 42.386 42.510 0.033 0.000 2.940 1528 c HN 0.634 nan 8.230 nan 0.000 0.347 1529 V N -0.915 119.048 119.914 0.081 0.000 3.029 1529 V HA 0.354 4.474 4.120 0.000 0.000 0.230 1529 V C -0.418 175.797 176.094 0.203 0.000 1.254 1529 V CA 0.270 62.645 62.300 0.125 0.000 1.276 1529 V CB -0.482 31.370 31.823 0.047 0.000 1.080 1529 V HN 0.666 nan 8.190 nan 0.000 0.495 1530 R N -0.539 120.097 120.500 0.227 0.000 1.385 1530 R HA -0.153 4.187 4.340 0.000 0.000 0.414 1530 R C -0.058 176.450 176.300 0.346 0.000 1.295 1530 R CA 0.655 56.889 56.100 0.223 0.000 0.975 1530 R CB -1.874 28.511 30.300 0.141 0.000 3.046 1530 R HN 0.681 nan 8.270 nan 0.000 0.499 1531 Y N 2.288 122.667 120.300 0.131 0.000 2.190 1531 Y HA 0.119 4.669 4.550 0.000 0.000 0.290 1531 Y C 0.803 176.682 175.900 -0.035 0.000 1.115 1531 Y CA 0.706 58.814 58.100 0.013 0.000 1.107 1531 Y CB 0.478 38.922 38.460 -0.027 0.000 1.033 1531 Y HN 0.221 nan 8.280 nan 0.000 0.502 1532 K N 0.164 120.457 120.400 -0.179 0.000 3.394 1532 K HA 0.244 4.564 4.320 0.000 0.000 0.166 1532 K C -0.086 176.420 176.600 -0.157 0.000 1.063 1532 K CA 0.538 56.648 56.287 -0.296 0.000 0.764 1532 K CB 0.822 32.964 32.500 -0.596 0.000 0.870 1532 K HN 0.600 nan 8.250 nan 0.000 0.556 1533 G N 0.259 109.019 108.800 -0.066 0.000 2.284 1533 G HA2 -0.196 3.764 3.960 0.000 0.000 0.216 1533 G HA3 -0.196 3.764 3.960 0.000 0.000 0.216 1533 G C 0.025 174.905 174.900 -0.034 0.000 1.009 1533 G CA -0.315 44.756 45.100 -0.048 0.000 0.625 1533 G HN 0.263 nan 8.290 nan 0.000 0.501 1534 E N 0.216 120.395 120.200 -0.035 0.000 2.214 1534 E HA 0.641 4.991 4.350 0.000 0.000 0.274 1534 E C 1.481 178.083 176.600 0.004 0.000 0.977 1534 E CA -0.665 55.711 56.400 -0.041 0.000 0.827 1534 E CB 1.243 30.884 29.700 -0.099 0.000 1.130 1534 E HN 0.168 nan 8.360 nan 0.000 0.394 1535 M N 0.810 120.402 119.600 -0.013 0.000 2.882 1535 M HA -0.193 4.287 4.480 0.000 0.000 0.276 1535 M C 1.533 177.858 176.300 0.041 0.000 1.060 1535 M CA 1.846 57.152 55.300 0.010 0.000 1.072 1535 M CB -0.576 32.009 32.600 -0.024 0.000 1.214 1535 M HN 0.397 nan 8.290 nan 0.000 0.521 1536 c N 0.723 119.324 118.600 0.002 0.000 2.339 1536 c HA 0.421 4.991 4.570 0.000 0.000 0.361 1536 c C 0.680 174.762 174.090 -0.015 0.000 1.378 1536 c CA -0.386 55.956 56.329 0.022 0.000 1.763 1536 c CB -1.998 40.505 42.510 -0.012 0.000 2.632 1536 c HN 0.729 nan 8.230 nan 0.000 0.576 1537 S N 0.177 115.890 115.700 0.021 0.000 3.561 1537 S HA -0.209 4.261 4.470 0.000 0.000 0.318 1537 S C 1.381 175.752 174.600 -0.381 0.000 1.181 1537 S CA 1.326 59.507 58.200 -0.032 0.000 0.916 1537 S CB -1.576 61.652 63.200 0.047 0.000 0.966 1537 S HN 1.637 nan 8.310 nan 0.000 0.550 1538 G N 0.338 108.954 108.800 -0.307 0.000 2.212 1538 G HA2 -0.361 3.599 3.960 0.000 0.000 0.267 1538 G HA3 -0.361 3.599 3.960 0.000 0.000 0.267 1538 G C 0.146 174.698 174.900 -0.580 0.000 1.002 1538 G CA 0.992 45.848 45.100 -0.407 0.000 0.729 1538 G HN 0.769 nan 8.290 nan 0.000 0.517 1539 H N -0.651 118.223 119.070 -0.327 0.000 3.078 1539 H HA 0.435 4.991 4.556 0.000 0.000 0.263 1539 H C 1.189 176.353 175.328 -0.274 0.000 1.177 1539 H CA 0.579 56.314 56.048 -0.522 0.000 1.128 1539 H CB 1.074 29.999 29.762 -1.394 0.000 1.623 1539 H HN 0.657 nan 8.280 nan 0.000 0.592 1540 G N 0.361 109.122 108.800 -0.067 0.000 2.667 1540 G HA2 0.359 4.319 3.960 0.000 0.000 0.298 1540 G HA3 0.359 4.319 3.960 0.000 0.000 0.298 1540 G C -1.048 173.840 174.900 -0.020 0.000 1.377 1540 G CA -0.624 44.469 45.100 -0.011 0.000 0.964 1540 G HN 0.042 nan 8.290 nan 0.000 0.493 1541 Q N -0.510 119.286 119.800 -0.008 0.000 2.368 1541 Q HA 0.463 4.803 4.340 0.000 0.000 0.237 1541 Q C -0.292 175.693 176.000 -0.025 0.000 0.987 1541 Q CA -0.329 55.463 55.803 -0.018 0.000 0.896 1541 Q CB 1.349 30.081 28.738 -0.011 0.000 1.241 1541 Q HN 0.649 nan 8.270 nan 0.000 0.485 1542 c N 3.158 121.739 118.600 -0.031 0.000 2.409 1542 c HA 0.648 5.219 4.570 0.000 0.000 0.297 1542 c C -0.618 173.456 174.090 -0.028 0.000 1.083 1542 c CA -0.406 55.904 56.329 -0.032 0.000 1.515 1542 c CB -0.728 41.765 42.510 -0.028 0.000 1.869 1542 c HN 0.700 nan 8.230 nan 0.000 0.413 1543 S N 4.835 120.517 115.700 -0.029 0.000 2.422 1543 S HA 0.466 4.936 4.470 0.000 0.000 0.308 1543 S C 0.913 175.499 174.600 -0.024 0.000 1.097 1543 S CA 0.334 58.520 58.200 -0.022 0.000 1.099 1543 S CB 0.486 63.675 63.200 -0.019 0.000 0.976 1543 S HN 1.372 nan 8.310 nan 0.000 0.471 1544 c N 4.737 123.331 118.600 -0.011 0.000 5.664 1544 c HA -0.325 4.245 4.570 0.000 0.000 0.317 1544 c C 2.318 176.393 174.090 -0.026 0.000 2.354 1544 c CA 1.875 58.199 56.329 -0.009 0.000 2.137 1544 c CB -1.767 40.738 42.510 -0.008 0.000 3.208 1544 c HN 1.190 nan 8.230 nan 0.000 0.357 1545 G N 2.161 110.936 108.800 -0.042 0.000 2.879 1545 G HA2 0.090 4.050 3.960 0.000 0.000 0.200 1545 G HA3 0.090 4.050 3.960 0.000 0.000 0.200 1545 G C 0.252 175.079 174.900 -0.123 0.000 1.437 1545 G CA 1.735 46.792 45.100 -0.072 0.000 0.835 1545 G HN 1.191 nan 8.290 nan 0.000 0.640 1546 D N -0.662 119.632 120.400 -0.177 0.000 2.440 1546 D HA 0.274 4.915 4.640 0.000 0.000 0.269 1546 D C -0.149 176.051 176.300 -0.167 0.000 1.249 1546 D CA -0.765 53.074 54.000 -0.269 0.000 1.055 1546 D CB 0.013 40.594 40.800 -0.366 0.000 1.104 1546 D HN 0.243 nan 8.370 nan 0.000 0.561 1547 c N -0.897 117.601 118.600 -0.170 0.000 2.366 1547 c HA 0.473 5.043 4.570 0.000 0.000 0.345 1547 c C 0.381 174.439 174.090 -0.054 0.000 1.209 1547 c CA -0.784 55.494 56.329 -0.084 0.000 2.050 1547 c CB 0.129 42.606 42.510 -0.055 0.000 2.359 1547 c HN 0.384 nan 8.230 nan 0.000 0.527 1548 L N 2.835 124.044 121.223 -0.023 0.000 2.417 1548 L HA 0.242 4.582 4.340 0.000 0.000 0.258 1548 L C 0.065 176.954 176.870 0.031 0.000 1.088 1548 L CA -0.215 54.626 54.840 0.001 0.000 0.975 1548 L CB -0.224 41.835 42.059 0.000 0.000 1.341 1548 L HN 0.801 nan 8.230 nan 0.000 0.431 1549 c N 0.928 119.562 118.600 0.055 0.000 2.568 1549 c HA -0.096 4.474 4.570 0.000 0.000 0.401 1549 c C 0.878 175.052 174.090 0.140 0.000 1.338 1549 c CA -0.274 56.123 56.329 0.113 0.000 1.721 1549 c CB -0.583 42.029 42.510 0.171 0.000 2.624 1549 c HN 0.600 nan 8.230 nan 0.000 0.614 1550 D N 1.040 121.561 120.400 0.201 0.000 2.304 1550 D HA 0.321 4.961 4.640 0.000 0.000 0.247 1550 D C 0.183 176.647 176.300 0.274 0.000 1.089 1550 D CA 0.231 54.364 54.000 0.222 0.000 0.910 1550 D CB 0.650 41.605 40.800 0.257 0.000 1.199 1550 D HN 0.672 nan 8.370 nan 0.000 0.426 1551 S N 1.647 117.440 115.700 0.156 0.000 2.643 1551 S HA -0.113 4.357 4.470 0.000 0.000 0.310 1551 S C -0.023 174.598 174.600 0.036 0.000 1.253 1551 S CA 0.281 58.529 58.200 0.080 0.000 1.047 1551 S CB 0.039 63.262 63.200 0.038 0.000 0.767 1551 S HN 0.516 nan 8.310 nan 0.000 0.498 1552 D N 1.900 122.253 120.400 -0.079 0.000 3.017 1552 D HA -0.149 4.491 4.640 0.000 0.000 0.220 1552 D C -1.035 174.870 176.300 -0.658 0.000 1.141 1552 D CA 1.505 55.309 54.000 -0.326 0.000 0.848 1552 D CB -1.684 38.886 40.800 -0.383 0.000 1.102 1552 D HN 0.630 nan 8.370 nan 0.000 0.427 1553 W N -0.863 120.419 121.300 -0.031 0.000 3.167 1553 W HA 0.544 5.204 4.660 -0.000 0.000 0.324 1553 W C 0.155 176.676 176.519 0.003 0.000 1.230 1553 W CA -0.312 57.015 57.345 -0.029 0.000 1.184 1553 W CB 1.420 30.867 29.460 -0.021 0.000 1.414 1553 W HN -0.038 nan 8.180 nan 0.000 0.551 1554 T N -0.619 114.116 114.554 0.301 0.000 2.762 1554 T HA 0.864 5.214 4.350 0.000 0.000 0.301 1554 T C -0.160 174.653 174.700 0.188 0.000 1.299 1554 T CA -0.296 61.913 62.100 0.182 0.000 1.005 1554 T CB 1.236 70.167 68.868 0.105 0.000 1.377 1554 T HN 1.755 nan 8.240 nan 0.000 0.504 1555 G N -0.327 108.560 108.800 0.145 0.000 2.675 1555 G HA2 -0.012 3.948 3.960 0.000 0.000 0.686 1555 G HA3 -0.012 3.948 3.960 0.000 0.000 0.686 1555 G C -0.140 174.878 174.900 0.198 0.000 1.215 1555 G CA 0.128 45.332 45.100 0.174 0.000 0.777 1555 G HN 1.444 nan 8.290 nan 0.000 0.638 1556 Y N 0.873 121.216 120.300 0.072 0.000 2.096 1556 Y HA -0.272 4.278 4.550 0.000 0.000 0.276 1556 Y C 2.553 178.362 175.900 -0.152 0.000 1.209 1556 Y CA 3.354 61.418 58.100 -0.060 0.000 1.137 1556 Y CB -0.313 38.083 38.460 -0.107 0.000 0.956 1556 Y HN 0.626 nan 8.280 nan 0.000 0.506 1557 Y N -3.340 117.121 120.300 0.267 0.000 2.503 1557 Y HA 0.197 4.747 4.550 0.000 0.000 0.277 1557 Y C 1.694 177.615 175.900 0.036 0.000 1.102 1557 Y CA 0.358 58.541 58.100 0.139 0.000 1.261 1557 Y CB -0.259 38.201 38.460 0.001 0.000 1.096 1557 Y HN 0.095 nan 8.280 nan 0.000 0.546 1558 c N 1.553 120.280 118.600 0.213 0.000 4.612 1558 c HA -0.178 4.392 4.570 0.000 0.000 0.281 1558 c C 1.227 175.372 174.090 0.092 0.000 1.138 1558 c CA 0.056 56.479 56.329 0.157 0.000 2.253 1558 c CB -2.378 40.177 42.510 0.075 0.000 1.395 1558 c HN 0.686 nan 8.230 nan 0.000 0.696 1559 N N 0.376 119.109 118.700 0.056 0.000 2.336 1559 N HA 0.087 4.827 4.740 0.000 0.000 0.177 1559 N C 0.774 176.458 175.510 0.290 0.000 1.018 1559 N CA 0.892 53.928 53.050 -0.024 0.000 0.878 1559 N CB -0.269 37.897 38.487 -0.535 0.000 0.997 1559 N HN 0.753 nan 8.380 nan 0.000 0.433 1560 c N 3.110 121.849 118.600 0.232 0.000 2.651 1560 c HA 0.359 4.929 4.570 0.000 0.000 0.410 1560 c C 1.391 175.645 174.090 0.273 0.000 1.372 1560 c CA -0.490 55.968 56.329 0.214 0.000 1.707 1560 c CB -1.584 40.997 42.510 0.119 0.000 2.501 1560 c HN 0.589 nan 8.230 nan 0.000 0.598 1561 T N 2.364 116.952 114.554 0.056 0.000 2.814 1561 T HA 0.430 4.780 4.350 0.000 0.000 0.284 1561 T C 0.937 175.495 174.700 -0.237 0.000 0.998 1561 T CA 0.381 62.252 62.100 -0.383 0.000 0.935 1561 T CB 1.104 69.600 68.868 -0.621 0.000 1.167 1561 T HN 0.894 nan 8.240 nan 0.000 0.545 1562 T N -2.187 112.168 114.554 -0.332 0.000 3.145 1562 T HA 0.362 4.713 4.350 0.000 0.000 0.281 1562 T C 0.448 175.038 174.700 -0.183 0.000 1.003 1562 T CA -0.715 61.271 62.100 -0.190 0.000 0.901 1562 T CB -0.167 68.602 68.868 -0.165 0.000 1.112 1562 T HN 0.602 nan 8.240 nan 0.000 0.535 1563 R N 0.983 121.349 120.500 -0.222 0.000 2.528 1563 R HA 0.556 4.896 4.340 0.000 0.000 0.271 1563 R C 1.343 177.571 176.300 -0.119 0.000 1.056 1563 R CA 0.238 56.230 56.100 -0.179 0.000 1.117 1563 R CB 0.803 30.982 30.300 -0.201 0.000 1.085 1563 R HN 0.398 nan 8.270 nan 0.000 0.530 1564 T N -4.131 110.360 114.554 -0.104 0.000 2.992 1564 T HA -0.065 4.285 4.350 0.000 0.000 0.255 1564 T C 1.205 175.864 174.700 -0.068 0.000 0.938 1564 T CA 0.100 62.155 62.100 -0.075 0.000 0.895 1564 T CB 0.031 68.856 68.868 -0.071 0.000 1.221 1564 T HN 0.658 nan 8.240 nan 0.000 0.512 1565 D N 2.520 122.872 120.400 -0.080 0.000 2.170 1565 D HA -0.209 4.431 4.640 0.000 0.000 0.193 1565 D C 1.606 177.878 176.300 -0.047 0.000 1.004 1565 D CA 1.968 55.928 54.000 -0.066 0.000 0.860 1565 D CB -1.254 39.502 40.800 -0.073 0.000 0.931 1565 D HN 0.413 nan 8.370 nan 0.000 0.448 1566 T N -0.179 114.348 114.554 -0.046 0.000 2.881 1566 T HA -0.100 4.250 4.350 0.000 0.000 0.270 1566 T C 1.971 176.659 174.700 -0.020 0.000 1.068 1566 T CA 1.121 63.204 62.100 -0.028 0.000 1.131 1566 T CB -0.494 68.360 68.868 -0.024 0.000 0.871 1566 T HN 0.327 nan 8.240 nan 0.000 0.479 1567 c N 2.308 120.892 118.600 -0.026 0.000 2.539 1567 c HA 0.171 4.742 4.570 0.000 0.000 0.271 1567 c C 2.370 176.448 174.090 -0.019 0.000 1.412 1567 c CA -0.508 55.809 56.329 -0.019 0.000 1.729 1567 c CB -1.990 40.506 42.510 -0.023 0.000 1.739 1567 c HN 0.697 nan 8.230 nan 0.000 0.570 1568 M N 2.186 121.772 119.600 -0.024 0.000 6.857 1568 M HA -0.217 4.264 4.480 0.000 0.000 0.357 1568 M C 0.766 177.057 176.300 -0.015 0.000 0.914 1568 M CA 2.262 57.549 55.300 -0.022 0.000 1.038 1568 M CB -1.642 30.946 32.600 -0.020 0.000 1.117 1568 M HN 0.563 nan 8.290 nan 0.000 1.010 1569 S N -0.105 115.589 115.700 -0.010 0.000 2.815 1569 S HA -0.025 4.446 4.470 0.000 0.000 0.857 1569 S C -0.114 174.483 174.600 -0.004 0.000 0.862 1569 S CA -0.088 58.108 58.200 -0.006 0.000 1.494 1569 S CB -2.054 61.141 63.200 -0.008 0.000 1.073 1569 S HN 1.678 nan 8.310 nan 0.000 0.247 1570 S N 3.328 119.028 115.700 0.001 0.000 2.711 1570 S HA 0.377 4.847 4.470 0.000 0.000 0.335 1570 S C 0.751 175.357 174.600 0.009 0.000 1.175 1570 S CA 0.474 58.678 58.200 0.007 0.000 1.372 1570 S CB -0.876 62.331 63.200 0.011 0.000 1.337 1570 S HN 0.941 nan 8.310 nan 0.000 0.572 1571 N N 1.106 119.809 118.700 0.006 0.000 2.251 1571 N HA 0.120 4.860 4.740 0.000 0.000 0.323 1571 N C 0.954 176.465 175.510 0.001 0.000 0.966 1571 N CA 0.183 53.237 53.050 0.006 0.000 0.656 1571 N CB -0.287 38.200 38.487 0.000 0.000 2.147 1571 N HN 0.748 nan 8.380 nan 0.000 0.877 1572 G N 1.066 109.863 108.800 -0.005 0.000 2.199 1572 G HA2 -0.239 3.721 3.960 0.000 0.000 0.254 1572 G HA3 -0.239 3.721 3.960 0.000 0.000 0.254 1572 G C -0.434 174.456 174.900 -0.017 0.000 0.982 1572 G CA 0.421 45.515 45.100 -0.010 0.000 0.632 1572 G HN 0.197 nan 8.290 nan 0.000 0.529 1573 L N 2.406 123.616 121.223 -0.022 0.000 2.277 1573 L HA 0.676 5.016 4.340 0.000 0.000 0.284 1573 L C 0.856 177.709 176.870 -0.028 0.000 1.028 1573 L CA -1.359 53.461 54.840 -0.034 0.000 0.835 1573 L CB 1.006 43.033 42.059 -0.052 0.000 1.215 1573 L HN 0.472 nan 8.230 nan 0.000 0.425 1574 L N 3.418 124.625 121.223 -0.027 0.000 2.525 1574 L HA 0.166 4.507 4.340 0.000 0.000 0.278 1574 L C 0.706 177.564 176.870 -0.020 0.000 1.218 1574 L CA -0.423 54.403 54.840 -0.023 0.000 0.878 1574 L CB -0.047 41.998 42.059 -0.023 0.000 1.127 1574 L HN 0.855 nan 8.230 nan 0.000 0.492 1575 c N 1.469 120.060 118.600 -0.015 0.000 4.397 1575 c HA -0.221 4.349 4.570 0.000 0.000 0.291 1575 c C 1.459 175.542 174.090 -0.011 0.000 1.408 1575 c CA 0.626 56.949 56.329 -0.010 0.000 1.971 1575 c CB -3.433 39.074 42.510 -0.007 0.000 1.258 1575 c HN 1.240 nan 8.230 nan 0.000 0.795 1576 S N -2.429 113.263 115.700 -0.014 0.000 3.445 1576 S HA -0.186 4.285 4.470 0.000 0.000 0.319 1576 S C 1.614 176.206 174.600 -0.014 0.000 1.209 1576 S CA 1.597 59.791 58.200 -0.010 0.000 0.934 1576 S CB -1.542 61.656 63.200 -0.003 0.000 0.999 1576 S HN 2.589 nan 8.310 nan 0.000 0.582 1577 G N 0.602 109.382 108.800 -0.033 0.000 2.186 1577 G HA2 -0.397 3.563 3.960 0.000 0.000 0.266 1577 G HA3 -0.397 3.563 3.960 0.000 0.000 0.266 1577 G C 0.645 175.528 174.900 -0.028 0.000 0.982 1577 G CA 0.923 45.991 45.100 -0.053 0.000 0.670 1577 G HN 0.643 nan 8.290 nan 0.000 0.533 1578 R N -0.043 120.454 120.500 -0.006 0.000 2.334 1578 R HA 0.375 4.715 4.340 0.000 0.000 0.212 1578 R C 1.177 177.481 176.300 0.007 0.000 0.897 1578 R CA 0.778 56.883 56.100 0.009 0.000 1.056 1578 R CB 0.759 31.071 30.300 0.019 0.000 1.046 1578 R HN 0.581 nan 8.270 nan 0.000 0.513 1579 G N 0.883 109.684 108.800 0.001 0.000 2.623 1579 G HA2 0.244 4.204 3.960 0.000 0.000 0.290 1579 G HA3 0.244 4.204 3.960 0.000 0.000 0.290 1579 G C -1.587 173.314 174.900 0.002 0.000 1.437 1579 G CA -0.847 44.256 45.100 0.006 0.000 0.798 1579 G HN 0.022 nan 8.290 nan 0.000 0.488 1580 K N -1.710 118.693 120.400 0.005 0.000 2.090 1580 K HA 0.655 4.975 4.320 0.000 0.000 0.249 1580 K C -0.803 175.799 176.600 0.003 0.000 0.995 1580 K CA -0.749 55.540 56.287 0.003 0.000 0.914 1580 K CB 1.898 34.401 32.500 0.007 0.000 1.057 1580 K HN 0.505 nan 8.250 nan 0.000 0.462 1581 c N 3.066 121.665 118.600 -0.001 0.000 2.239 1581 c HA 0.310 4.880 4.570 0.000 0.000 0.323 1581 c C -0.935 173.154 174.090 -0.003 0.000 1.205 1581 c CA -0.291 56.035 56.329 -0.004 0.000 1.584 1581 c CB -1.250 41.252 42.510 -0.013 0.000 2.201 1581 c HN 0.943 nan 8.230 nan 0.000 0.475 1582 E N 3.422 123.623 120.200 0.002 0.000 2.185 1582 E HA 0.524 4.874 4.350 0.000 0.000 0.261 1582 E C 0.004 176.608 176.600 0.006 0.000 0.879 1582 E CA -0.606 55.797 56.400 0.005 0.000 0.756 1582 E CB 0.411 30.118 29.700 0.012 0.000 1.152 1582 E HN 0.667 nan 8.360 nan 0.000 0.416 1583 c N 3.451 122.050 118.600 -0.001 0.000 4.533 1583 c HA -0.064 4.506 4.570 0.000 0.000 0.304 1583 c C 1.627 175.711 174.090 -0.010 0.000 1.316 1583 c CA 0.529 56.858 56.329 0.001 0.000 2.053 1583 c CB -2.201 40.325 42.510 0.028 0.000 1.242 1583 c HN 1.431 nan 8.230 nan 0.000 0.758 1584 G N -0.251 108.528 108.800 -0.033 0.000 2.257 1584 G HA2 -0.187 3.773 3.960 0.000 0.000 0.267 1584 G HA3 -0.187 3.773 3.960 0.000 0.000 0.267 1584 G C 0.029 174.922 174.900 -0.013 0.000 0.984 1584 G CA 0.873 45.950 45.100 -0.038 0.000 0.626 1584 G HN 2.105 nan 8.290 nan 0.000 0.540 1585 S N -0.712 114.989 115.700 0.002 0.000 2.502 1585 S HA 0.661 5.131 4.470 0.000 0.000 0.304 1585 S C 0.151 174.758 174.600 0.011 0.000 1.097 1585 S CA -0.454 57.753 58.200 0.011 0.000 1.045 1585 S CB 2.047 65.261 63.200 0.024 0.000 1.019 1585 S HN 0.696 nan 8.310 nan 0.000 0.481 1586 c N 2.316 120.923 118.600 0.012 0.000 2.652 1586 c HA 0.515 5.085 4.570 0.000 0.000 0.412 1586 c C 0.433 174.536 174.090 0.022 0.000 1.294 1586 c CA -0.401 55.936 56.329 0.013 0.000 2.127 1586 c CB -0.055 42.462 42.510 0.012 0.000 2.691 1586 c HN 0.742 nan 8.230 nan 0.000 0.615 1587 V N 2.719 122.645 119.914 0.021 0.000 2.380 1587 V HA 0.159 4.280 4.120 0.000 0.000 0.272 1587 V C -0.022 176.088 176.094 0.026 0.000 1.011 1587 V CA -0.489 61.827 62.300 0.026 0.000 0.826 1587 V CB 0.275 32.111 31.823 0.022 0.000 1.040 1587 V HN 1.124 nan 8.190 nan 0.000 0.441 1588 c N 4.713 123.333 118.600 0.034 0.000 2.596 1588 c HA 0.091 4.661 4.570 0.000 0.000 0.414 1588 c C 1.822 175.932 174.090 0.033 0.000 1.396 1588 c CA -0.361 55.987 56.329 0.032 0.000 1.698 1588 c CB -0.618 41.917 42.510 0.041 0.000 2.572 1588 c HN 0.808 nan 8.230 nan 0.000 0.604 1589 I N 2.692 123.277 120.570 0.027 0.000 3.493 1589 I HA -0.051 4.119 4.170 0.000 0.000 0.311 1589 I C 1.446 177.583 176.117 0.033 0.000 1.210 1589 I CA 0.811 62.127 61.300 0.026 0.000 1.210 1589 I CB -1.315 36.697 38.000 0.020 0.000 0.993 1589 I HN 0.715 nan 8.210 nan 0.000 0.539 1590 Q N -0.321 119.504 119.800 0.041 0.000 2.434 1590 Q HA -0.204 4.136 4.340 0.000 0.000 0.299 1590 Q C -1.353 174.676 176.000 0.049 0.000 1.286 1590 Q CA 0.638 56.471 55.803 0.050 0.000 0.872 1590 Q CB -1.256 27.511 28.738 0.048 0.000 1.193 1590 Q HN 0.398 nan 8.270 nan 0.000 0.466 1591 P HA -0.012 nan 4.420 nan 0.000 0.236 1591 P C 0.634 177.967 177.300 0.055 0.000 1.172 1591 P CA 1.631 64.763 63.100 0.053 0.000 0.759 1591 P CB 0.146 31.886 31.700 0.066 0.000 0.843 1592 G N -1.266 107.567 108.800 0.056 0.000 2.157 1592 G HA2 -0.078 3.882 3.960 0.000 0.000 0.118 1592 G HA3 -0.078 3.882 3.960 0.000 0.000 0.118 1592 G C 0.070 175.005 174.900 0.058 0.000 1.032 1592 G CA -0.062 45.078 45.100 0.067 0.000 0.697 1592 G HN 0.489 nan 8.290 nan 0.000 0.495 1593 S N -0.544 115.179 115.700 0.037 0.000 2.726 1593 S HA 0.997 5.467 4.470 0.000 0.000 0.308 1593 S C -0.425 174.191 174.600 0.027 0.000 1.115 1593 S CA -0.202 57.948 58.200 -0.082 0.000 0.965 1593 S CB 2.635 65.781 63.200 -0.090 0.000 1.145 1593 S HN 1.736 nan 8.310 nan 0.000 0.532 1594 Y N -2.762 117.546 120.300 0.013 0.000 2.788 1594 Y HA 0.862 5.412 4.550 0.000 0.000 0.335 1594 Y C -0.148 175.757 175.900 0.008 0.000 1.287 1594 Y CA -0.594 57.511 58.100 0.010 0.000 1.068 1594 Y CB 0.471 38.935 38.460 0.007 0.000 1.340 1594 Y HN 1.649 nan 8.280 nan 0.000 0.449 1595 G N 0.341 109.294 108.800 0.255 0.000 2.392 1595 G HA2 0.049 4.010 3.960 0.000 0.000 0.677 1595 G HA3 0.049 4.010 3.960 0.000 0.000 0.677 1595 G C -1.104 173.848 174.900 0.086 0.000 1.334 1595 G CA -0.202 44.985 45.100 0.145 0.000 0.961 1595 G HN 0.723 nan 8.290 nan 0.000 0.616 1596 D N -0.534 119.902 120.400 0.061 0.000 2.178 1596 D HA 0.044 4.684 4.640 0.000 0.000 0.202 1596 D C 2.308 178.624 176.300 0.026 0.000 0.974 1596 D CA 2.328 56.352 54.000 0.041 0.000 0.841 1596 D CB 0.092 40.912 40.800 0.032 0.000 0.953 1596 D HN 0.830 nan 8.370 nan 0.000 0.478 1597 T N -3.553 111.010 114.554 0.016 0.000 3.252 1597 T HA 0.296 4.646 4.350 0.000 0.000 0.286 1597 T C 0.749 175.447 174.700 -0.003 0.000 1.013 1597 T CA -0.331 61.772 62.100 0.004 0.000 0.914 1597 T CB -0.744 68.123 68.868 -0.002 0.000 1.131 1597 T HN 0.233 nan 8.240 nan 0.000 0.529 1598 c N 2.451 121.049 118.600 -0.003 0.000 4.326 1598 c HA -0.189 4.381 4.570 0.000 0.000 0.284 1598 c C 2.324 176.375 174.090 -0.065 0.000 1.419 1598 c CA 0.803 57.115 56.329 -0.028 0.000 1.920 1598 c CB -2.460 40.043 42.510 -0.011 0.000 1.306 1598 c HN 0.861 nan 8.230 nan 0.000 0.786 1599 E N 2.002 122.169 120.200 -0.055 0.000 2.118 1599 E HA -0.164 4.186 4.350 0.000 0.000 0.195 1599 E C 0.534 177.059 176.600 -0.125 0.000 0.992 1599 E CA 1.298 57.660 56.400 -0.063 0.000 0.804 1599 E CB -0.167 29.510 29.700 -0.038 0.000 0.741 1599 E HN 0.752 nan 8.360 nan 0.000 0.458 1600 K N 0.321 120.598 120.400 -0.205 0.000 2.312 1600 K HA 0.269 4.589 4.320 0.000 0.000 0.287 1600 K C -0.556 175.696 176.600 -0.581 0.000 1.062 1600 K CA -0.024 56.037 56.287 -0.376 0.000 0.934 1600 K CB 1.117 33.352 32.500 -0.443 0.000 1.027 1600 K HN 0.113 nan 8.250 nan 0.000 0.478 1601 C N 6.299 125.363 119.300 -0.393 0.000 3.173 1601 C HA 0.195 4.655 4.460 0.000 0.000 0.209 1601 C C -1.373 173.504 174.990 -0.188 0.000 1.229 1601 C CA -1.301 57.531 59.018 -0.310 0.000 1.109 1601 C CB -0.101 27.531 27.740 -0.180 0.000 1.833 1601 C HN 0.747 nan 8.230 nan 0.000 0.626 1602 P HA -0.144 nan 4.420 nan 0.000 0.217 1602 P C 1.194 178.462 177.300 -0.053 0.000 1.148 1602 P CA 2.234 65.292 63.100 -0.069 0.000 0.834 1602 P CB -0.173 31.529 31.700 0.003 0.000 0.783 1603 T N -4.743 109.791 114.554 -0.032 0.000 3.122 1603 T HA 0.131 4.481 4.350 0.000 0.000 0.250 1603 T C 0.818 175.494 174.700 -0.041 0.000 1.067 1603 T CA -0.459 61.628 62.100 -0.022 0.000 0.966 1603 T CB -1.326 67.550 68.868 0.013 0.000 1.002 1603 T HN -0.043 nan 8.240 nan 0.000 0.542 1604 C N 4.592 123.845 119.300 -0.079 0.000 2.634 1604 C HA 0.265 4.725 4.460 0.000 0.000 0.417 1604 C C -1.185 173.716 174.990 -0.148 0.000 1.334 1604 C CA -1.334 57.624 59.018 -0.101 0.000 1.829 1604 C CB 0.035 27.667 27.740 -0.180 0.000 2.665 1604 C HN 0.528 nan 8.230 nan 0.000 0.614 1605 P HA -0.015 nan 4.420 nan 0.000 0.266 1605 P C -0.356 176.820 177.300 -0.207 0.000 1.193 1605 P CA 0.183 63.237 63.100 -0.077 0.000 0.770 1605 P CB 0.315 32.057 31.700 0.071 0.000 0.836 1606 D N 1.562 121.888 120.400 -0.124 0.000 2.973 1606 D HA -0.138 4.502 4.640 0.000 0.000 0.214 1606 D C 1.450 177.622 176.300 -0.214 0.000 1.079 1606 D CA 0.875 54.791 54.000 -0.140 0.000 0.797 1606 D CB 0.456 41.217 40.800 -0.066 0.000 1.168 1606 D HN 0.394 nan 8.370 nan 0.000 0.515 1607 A N 3.676 126.343 122.820 -0.255 0.000 1.997 1607 A HA -0.269 4.051 4.320 0.000 0.000 0.221 1607 A C 2.546 180.064 177.584 -0.111 0.000 1.172 1607 A CA 1.762 53.620 52.037 -0.298 0.000 0.645 1607 A CB -0.733 18.073 19.000 -0.324 0.000 0.813 1607 A HN 0.788 nan 8.150 nan 0.000 0.454 1608 c N -1.651 116.930 118.600 -0.032 0.000 2.667 1608 c HA -0.081 4.489 4.570 0.000 0.000 0.287 1608 c C 2.851 177.066 174.090 0.210 0.000 1.256 1608 c CA 1.423 57.825 56.329 0.122 0.000 1.738 1608 c CB -1.572 40.947 42.510 0.014 0.000 2.113 1608 c HN 0.649 nan 8.230 nan 0.000 0.470 1609 T N 1.275 115.913 114.554 0.141 0.000 2.771 1609 T HA -0.284 4.066 4.350 0.000 0.000 0.262 1609 T C 1.346 176.211 174.700 0.275 0.000 1.027 1609 T CA 2.273 64.477 62.100 0.173 0.000 1.159 1609 T CB -0.520 68.446 68.868 0.162 0.000 0.844 1609 T HN 0.329 nan 8.240 nan 0.000 0.478 1610 F N 1.430 121.401 119.950 0.035 0.000 2.060 1610 F HA 0.024 4.551 4.527 0.000 0.000 0.295 1610 F C 1.913 177.719 175.800 0.010 0.000 1.120 1610 F CA 0.912 58.927 58.000 0.024 0.000 1.205 1610 F CB -0.297 38.718 39.000 0.026 0.000 0.986 1610 F HN 0.001 nan 8.300 nan 0.000 0.470 1611 K N 1.152 121.737 120.400 0.308 0.000 2.911 1611 K HA 0.011 4.331 4.320 0.000 0.000 0.239 1611 K C 1.224 177.846 176.600 0.037 0.000 1.090 1611 K CA 0.192 56.593 56.287 0.191 0.000 1.225 1611 K CB 0.085 32.836 32.500 0.418 0.000 1.087 1611 K HN 0.375 nan 8.250 nan 0.000 0.464 1612 K N 1.070 121.443 120.400 -0.045 0.000 2.286 1612 K HA 0.039 4.359 4.320 0.000 0.000 0.203 1612 K C 0.995 177.413 176.600 -0.302 0.000 1.078 1612 K CA 0.199 56.326 56.287 -0.266 0.000 0.957 1612 K CB 0.395 32.721 32.500 -0.290 0.000 1.018 1612 K HN 0.029 nan 8.250 nan 0.000 0.484 1613 E N 0.624 120.702 120.200 -0.203 0.000 2.393 1613 E HA -0.209 4.141 4.350 0.000 0.000 0.201 1613 E C 1.791 178.260 176.600 -0.217 0.000 1.025 1613 E CA 0.630 56.940 56.400 -0.149 0.000 0.856 1613 E CB -0.143 29.507 29.700 -0.083 0.000 0.771 1613 E HN 0.318 nan 8.360 nan 0.000 0.526 1614 c N 0.083 118.520 118.600 -0.273 0.000 2.675 1614 c HA -0.091 4.479 4.570 0.000 0.000 0.285 1614 c C 2.831 176.820 174.090 -0.169 0.000 1.282 1614 c CA 0.957 57.137 56.329 -0.247 0.000 1.708 1614 c CB -0.711 41.659 42.510 -0.233 0.000 2.134 1614 c HN 0.475 nan 8.230 nan 0.000 0.494 1615 V N 0.042 119.817 119.914 -0.232 0.000 2.913 1615 V HA -0.057 4.063 4.120 0.000 0.000 0.260 1615 V C 1.608 177.782 176.094 0.133 0.000 1.098 1615 V CA 2.445 64.673 62.300 -0.120 0.000 1.121 1615 V CB -0.881 30.787 31.823 -0.260 0.000 0.714 1615 V HN 0.650 nan 8.190 nan 0.000 0.487 1616 E N -0.658 119.593 120.200 0.085 0.000 2.320 1616 E HA 0.122 4.472 4.350 0.000 0.000 0.189 1616 E C 1.042 177.764 176.600 0.204 0.000 1.100 1616 E CA 0.676 57.209 56.400 0.221 0.000 1.009 1616 E CB -0.247 29.501 29.700 0.080 0.000 1.145 1616 E HN 0.911 nan 8.360 nan 0.000 0.454 1617 c N -1.743 116.948 118.600 0.151 0.000 3.623 1617 c HA 0.306 4.876 4.570 0.000 0.000 0.534 1617 c C 1.500 175.625 174.090 0.058 0.000 1.188 1617 c CA -0.374 56.019 56.329 0.108 0.000 2.519 1617 c CB 0.006 42.566 42.510 0.083 0.000 3.439 1617 c HN 0.078 nan 8.230 nan 0.000 0.447 1618 K N 1.625 122.036 120.400 0.018 0.000 2.439 1618 K HA 0.115 4.435 4.320 0.000 0.000 0.197 1618 K C 0.902 177.459 176.600 -0.071 0.000 1.041 1618 K CA 0.809 57.078 56.287 -0.029 0.000 0.970 1618 K CB -0.094 32.374 32.500 -0.053 0.000 0.773 1618 K HN 0.597 nan 8.250 nan 0.000 0.479 1619 K N -1.227 119.130 120.400 -0.073 0.000 2.554 1619 K HA 0.203 4.523 4.320 0.000 0.000 0.211 1619 K C 0.224 176.409 176.600 -0.692 0.000 1.226 1619 K CA 0.055 56.142 56.287 -0.332 0.000 1.025 1619 K CB 0.772 33.069 32.500 -0.339 0.000 1.021 1619 K HN 0.011 nan 8.250 nan 0.000 0.600 1620 F N -0.486 119.472 119.950 0.013 0.000 3.087 1620 F HA 0.089 4.616 4.527 0.000 0.000 0.371 1620 F C 0.298 176.111 175.800 0.021 0.000 1.144 1620 F CA -0.297 57.717 58.000 0.024 0.000 1.030 1620 F CB 0.824 39.852 39.000 0.046 0.000 1.366 1620 F HN -0.126 nan 8.300 nan 0.000 0.522 1621 D N 0.227 120.717 120.400 0.150 0.000 2.527 1621 D HA -0.222 4.418 4.640 0.000 0.000 0.160 1621 D C 1.123 177.488 176.300 0.108 0.000 1.646 1621 D CA 1.652 55.710 54.000 0.097 0.000 1.652 1621 D CB -0.386 40.455 40.800 0.067 0.000 1.337 1621 D HN 0.217 nan 8.370 nan 0.000 0.432 1622 R N 0.456 121.045 120.500 0.149 0.000 3.160 1622 R HA 0.287 4.627 4.340 0.000 0.000 0.266 1622 R C 0.262 176.620 176.300 0.096 0.000 1.167 1622 R CA 0.171 56.336 56.100 0.108 0.000 1.124 1622 R CB 0.148 30.509 30.300 0.101 0.000 1.034 1622 R HN 0.174 nan 8.270 nan 0.000 0.536 1623 E N -0.901 119.344 120.200 0.074 0.000 7.832 1623 E HA -0.124 4.226 4.350 0.000 0.000 0.464 1623 E C -2.177 174.469 176.600 0.076 0.000 0.594 1623 E CA -0.031 56.415 56.400 0.075 0.000 1.043 1623 E CB -0.342 29.410 29.700 0.086 0.000 0.978 1623 E HN 0.383 nan 8.360 nan 0.000 0.263 1624 P HA -0.201 nan 4.420 nan 0.000 0.219 1624 P C 1.235 178.524 177.300 -0.018 0.000 1.153 1624 P CA 1.689 64.799 63.100 0.017 0.000 0.865 1624 P CB -0.170 31.541 31.700 0.019 0.000 0.788 1625 Y N -1.892 118.389 120.300 -0.032 0.000 2.403 1625 Y HA -0.134 4.416 4.550 0.000 0.000 0.291 1625 Y C 2.510 178.371 175.900 -0.065 0.000 1.143 1625 Y CA 1.297 59.366 58.100 -0.052 0.000 1.257 1625 Y CB -0.438 38.000 38.460 -0.037 0.000 0.984 1625 Y HN -0.023 nan 8.280 nan 0.000 0.550 1626 M N -1.580 118.060 119.600 0.067 0.000 2.486 1626 M HA -0.112 4.368 4.480 0.000 0.000 0.264 1626 M C 1.653 177.937 176.300 -0.028 0.000 1.125 1626 M CA 1.154 56.467 55.300 0.022 0.000 1.144 1626 M CB -0.037 32.588 32.600 0.040 0.000 1.353 1626 M HN 0.075 nan 8.290 nan 0.000 0.466 1627 T N 1.288 115.821 114.554 -0.035 0.000 2.708 1627 T HA -0.155 4.195 4.350 0.000 0.000 0.266 1627 T C 1.252 175.896 174.700 -0.093 0.000 1.037 1627 T CA 1.735 63.804 62.100 -0.052 0.000 1.146 1627 T CB -0.342 68.499 68.868 -0.045 0.000 0.865 1627 T HN 0.534 nan 8.240 nan 0.000 0.435 1628 E N 1.217 121.325 120.200 -0.153 0.000 2.515 1628 E HA -0.041 4.309 4.350 0.000 0.000 0.201 1628 E C 0.323 176.810 176.600 -0.187 0.000 1.071 1628 E CA -0.045 56.234 56.400 -0.202 0.000 0.880 1628 E CB -0.105 29.392 29.700 -0.338 0.000 0.828 1628 E HN 0.323 nan 8.360 nan 0.000 0.540 1629 N N -0.117 118.498 118.700 -0.141 0.000 2.741 1629 N HA -0.165 4.575 4.740 0.000 0.000 0.251 1629 N C 0.202 175.626 175.510 -0.144 0.000 1.112 1629 N CA 1.309 54.292 53.050 -0.112 0.000 0.750 1629 N CB -1.427 37.005 38.487 -0.091 0.000 1.119 1629 N HN 0.208 nan 8.380 nan 0.000 0.561 1630 T N -0.972 113.457 114.554 -0.208 0.000 3.244 1630 T HA 0.034 4.384 4.350 0.000 0.000 0.186 1630 T C 1.227 175.871 174.700 -0.093 0.000 0.768 1630 T CA 0.808 62.744 62.100 -0.273 0.000 2.211 1630 T CB -0.423 68.082 68.868 -0.606 0.000 2.114 1630 T HN 0.418 nan 8.240 nan 0.000 0.420 1631 c N 1.898 120.537 118.600 0.066 0.000 4.025 1631 c HA -0.220 4.350 4.570 0.000 0.000 0.292 1631 c C 1.487 175.614 174.090 0.062 0.000 1.530 1631 c CA 1.230 57.659 56.329 0.167 0.000 2.092 1631 c CB -2.661 39.936 42.510 0.145 0.000 1.309 1631 c HN 0.733 nan 8.230 nan 0.000 0.778 1632 N N -2.272 116.446 118.700 0.031 0.000 2.486 1632 N HA 0.080 4.820 4.740 0.000 0.000 0.242 1632 N C 1.587 177.135 175.510 0.064 0.000 1.083 1632 N CA 0.129 53.195 53.050 0.028 0.000 0.844 1632 N CB 0.000 38.488 38.487 0.001 0.000 1.527 1632 N HN 0.362 nan 8.380 nan 0.000 0.462 1633 R N 0.154 120.706 120.500 0.086 0.000 2.173 1633 R HA 0.189 4.529 4.340 0.000 0.000 0.208 1633 R C 1.247 177.770 176.300 0.372 0.000 1.035 1633 R CA 1.058 57.269 56.100 0.185 0.000 1.004 1633 R CB 0.007 30.420 30.300 0.187 0.000 0.917 1633 R HN 0.332 nan 8.270 nan 0.000 0.462 1634 Y N -1.973 118.376 120.300 0.082 0.000 2.197 1634 Y HA 0.013 4.563 4.550 -0.000 0.000 0.281 1634 Y C 1.014 176.917 175.900 0.006 0.000 1.099 1634 Y CA -0.159 57.994 58.100 0.088 0.000 1.092 1634 Y CB -0.353 38.262 38.460 0.258 0.000 1.028 1634 Y HN -0.076 nan 8.280 nan 0.000 0.489 1635 c N 4.819 123.509 118.600 0.151 0.000 2.734 1635 c HA 0.073 4.644 4.570 0.000 0.000 0.398 1635 c C 1.357 175.450 174.090 0.005 0.000 1.090 1635 c CA -0.136 56.184 56.329 -0.015 0.000 1.251 1635 c CB -2.193 40.247 42.510 -0.116 0.000 1.789 1635 c HN 0.399 nan 8.230 nan 0.000 0.556 1636 R N 1.926 122.435 120.500 0.015 0.000 2.696 1636 R HA 0.308 4.648 4.340 0.000 0.000 0.355 1636 R C -0.238 176.049 176.300 -0.023 0.000 1.138 1636 R CA -0.407 55.697 56.100 0.008 0.000 1.059 1636 R CB 0.053 30.375 30.300 0.038 0.000 1.380 1636 R HN 0.511 nan 8.270 nan 0.000 0.578 1637 D N 1.914 122.278 120.400 -0.061 0.000 2.006 1637 D HA -0.015 4.625 4.640 0.000 0.000 0.304 1637 D C -0.115 176.122 176.300 -0.105 0.000 1.101 1637 D CA 0.282 54.223 54.000 -0.098 0.000 0.903 1637 D CB 0.326 41.024 40.800 -0.170 0.000 1.058 1637 D HN 0.290 nan 8.370 nan 0.000 0.361 1638 E N -0.034 120.073 120.200 -0.154 0.000 3.844 1638 E HA 0.164 4.514 4.350 0.000 0.000 0.260 1638 E C -1.114 175.365 176.600 -0.202 0.000 1.163 1638 E CA -0.272 56.034 56.400 -0.157 0.000 1.261 1638 E CB -0.043 29.561 29.700 -0.160 0.000 1.261 1638 E HN 0.240 nan 8.360 nan 0.000 0.399 1639 I N 0.727 121.195 120.570 -0.170 0.000 2.818 1639 I HA 0.025 4.195 4.170 0.000 0.000 0.285 1639 I C 0.035 176.069 176.117 -0.137 0.000 1.160 1639 I CA 0.710 61.912 61.300 -0.163 0.000 1.370 1639 I CB -0.228 37.692 38.000 -0.134 0.000 1.440 1639 I HN 0.160 nan 8.210 nan 0.000 0.555 1640 E N 4.357 124.464 120.200 -0.155 0.000 2.593 1640 E HA 0.164 4.514 4.350 0.000 0.000 0.232 1640 E C -0.351 176.244 176.600 -0.009 0.000 1.026 1640 E CA -0.555 55.791 56.400 -0.090 0.000 0.772 1640 E CB 1.190 30.828 29.700 -0.104 0.000 1.310 1640 E HN 0.661 nan 8.360 nan 0.000 0.413 1641 S N 1.989 117.687 115.700 -0.004 0.000 3.799 1641 S HA -0.096 4.374 4.470 0.000 0.000 0.454 1641 S C 0.521 175.165 174.600 0.075 0.000 1.130 1641 S CA -0.297 57.923 58.200 0.034 0.000 0.966 1641 S CB -0.434 62.762 63.200 -0.007 0.000 0.680 1641 S HN 0.378 nan 8.310 nan 0.000 0.496 1642 V N 3.766 123.754 119.914 0.123 0.000 3.036 1642 V HA 0.567 4.687 4.120 0.000 0.000 0.308 1642 V C 0.760 176.893 176.094 0.066 0.000 1.070 1642 V CA -0.987 61.385 62.300 0.119 0.000 1.056 1642 V CB 0.632 32.542 31.823 0.144 0.000 1.084 1642 V HN 0.893 nan 8.190 nan 0.000 0.471 1643 K N 0.494 120.918 120.400 0.041 0.000 2.244 1643 K HA 0.120 4.440 4.320 0.000 0.000 0.242 1643 K C 1.411 178.027 176.600 0.026 0.000 1.082 1643 K CA -0.051 56.251 56.287 0.025 0.000 0.841 1643 K CB 0.051 32.557 32.500 0.010 0.000 1.129 1643 K HN 0.788 nan 8.250 nan 0.000 0.516 1644 E N 0.890 121.101 120.200 0.018 0.000 2.041 1644 E HA -0.233 4.117 4.350 0.000 0.000 0.227 1644 E C 1.062 177.675 176.600 0.021 0.000 1.039 1644 E CA 1.450 57.862 56.400 0.019 0.000 0.904 1644 E CB -0.576 29.131 29.700 0.012 0.000 0.808 1644 E HN 0.318 nan 8.360 nan 0.000 0.510 1645 L N 1.178 122.408 121.223 0.011 0.000 2.482 1645 L HA -0.050 4.290 4.340 0.000 0.000 0.273 1645 L C 1.746 178.622 176.870 0.009 0.000 1.228 1645 L CA 0.188 55.033 54.840 0.008 0.000 0.827 1645 L CB 0.214 42.271 42.059 -0.003 0.000 1.099 1645 L HN 0.143 nan 8.230 nan 0.000 0.494 1646 K N 0.524 120.932 120.400 0.013 0.000 2.293 1646 K HA 0.105 4.425 4.320 0.000 0.000 0.198 1646 K C -0.418 176.152 176.600 -0.050 0.000 1.066 1646 K CA 0.317 56.615 56.287 0.018 0.000 1.070 1646 K CB 0.279 32.810 32.500 0.051 0.000 1.374 1646 K HN 0.671 nan 8.250 nan 0.000 0.461 1647 D N -2.591 117.781 120.400 -0.046 0.000 2.798 1647 D HA 0.214 4.854 4.640 0.000 0.000 0.308 1647 D C -0.625 175.657 176.300 -0.030 0.000 1.187 1647 D CA -0.473 53.464 54.000 -0.106 0.000 1.033 1647 D CB 2.053 42.736 40.800 -0.195 0.000 1.445 1647 D HN 0.323 nan 8.370 nan 0.000 0.550 1648 T N -1.841 112.704 114.554 -0.016 0.000 3.092 1648 T HA 0.249 4.599 4.350 0.000 0.000 0.273 1648 T C 0.427 175.169 174.700 0.070 0.000 0.898 1648 T CA 0.333 62.446 62.100 0.022 0.000 0.868 1648 T CB -0.078 68.793 68.868 0.005 0.000 1.228 1648 T HN 0.450 nan 8.240 nan 0.000 0.555 1649 G N 3.112 111.990 108.800 0.130 0.000 2.151 1649 G HA2 0.195 4.155 3.960 0.000 0.000 0.269 1649 G HA3 0.195 4.155 3.960 0.000 0.000 0.269 1649 G C -0.096 174.910 174.900 0.177 0.000 1.069 1649 G CA 0.246 45.509 45.100 0.273 0.000 1.080 1649 G HN 0.503 nan 8.290 nan 0.000 0.405 1650 K N 1.501 121.945 120.400 0.074 0.000 2.276 1650 K HA 0.176 4.496 4.320 0.000 0.000 0.259 1650 K C 0.786 177.340 176.600 -0.076 0.000 1.001 1650 K CA 0.548 56.839 56.287 0.007 0.000 0.927 1650 K CB 0.470 32.974 32.500 0.006 0.000 0.969 1650 K HN 0.651 nan 8.250 nan 0.000 0.490 1651 D N -1.203 119.145 120.400 -0.087 0.000 3.103 1651 D HA -0.164 4.476 4.640 0.000 0.000 0.211 1651 D C -1.440 174.735 176.300 -0.208 0.000 1.100 1651 D CA 1.186 55.104 54.000 -0.136 0.000 0.961 1651 D CB -0.845 39.864 40.800 -0.151 0.000 1.093 1651 D HN 0.606 nan 8.370 nan 0.000 0.427 1652 A N -0.840 121.893 122.820 -0.146 0.000 2.413 1652 A HA 0.763 5.083 4.320 0.000 0.000 0.307 1652 A C -0.524 177.085 177.584 0.041 0.000 1.087 1652 A CA -0.071 51.928 52.037 -0.063 0.000 0.750 1652 A CB 2.269 21.294 19.000 0.042 0.000 1.296 1652 A HN 0.671 nan 8.150 nan 0.000 0.423 1653 V N 1.368 121.339 119.914 0.094 0.000 2.850 1653 V HA 0.636 4.756 4.120 0.000 0.000 0.315 1653 V C -0.664 175.475 176.094 0.076 0.000 1.064 1653 V CA -0.775 61.555 62.300 0.050 0.000 0.979 1653 V CB 1.827 33.639 31.823 -0.019 0.000 1.039 1653 V HN 0.965 nan 8.190 nan 0.000 0.452 1654 N N 2.141 120.838 118.700 -0.005 0.000 2.432 1654 N HA 0.820 5.560 4.740 0.000 0.000 0.292 1654 N C -1.279 174.113 175.510 -0.197 0.000 1.193 1654 N CA -0.173 52.841 53.050 -0.060 0.000 0.878 1654 N CB 1.637 40.107 38.487 -0.028 0.000 1.252 1654 N HN 0.908 nan 8.380 nan 0.000 0.520 1655 c N -0.807 117.569 118.600 -0.372 0.000 3.285 1655 c HA 0.816 5.386 4.570 0.000 0.000 0.325 1655 c C -0.795 173.089 174.090 -0.342 0.000 1.304 1655 c CA -0.983 55.050 56.329 -0.494 0.000 1.319 1655 c CB 1.342 43.210 42.510 -1.070 0.000 1.640 1655 c HN 0.854 nan 8.230 nan 0.000 0.477 1656 T N 0.042 114.541 114.554 -0.092 0.000 3.105 1656 T HA 0.758 5.108 4.350 0.000 0.000 0.321 1656 T C -1.252 173.585 174.700 0.229 0.000 1.135 1656 T CA -0.448 61.703 62.100 0.085 0.000 1.053 1656 T CB 1.232 70.116 68.868 0.026 0.000 1.133 1656 T HN 1.469 nan 8.240 nan 0.000 0.463 1657 Y N 0.113 120.467 120.300 0.089 0.000 2.615 1657 Y HA 0.803 5.353 4.550 0.000 0.000 0.341 1657 Y C -1.154 174.773 175.900 0.044 0.000 1.089 1657 Y CA -1.424 56.722 58.100 0.076 0.000 1.049 1657 Y CB 1.578 40.113 38.460 0.124 0.000 1.296 1657 Y HN 0.647 nan 8.280 nan 0.000 0.470 1658 K N 2.777 123.188 120.400 0.019 0.000 2.213 1658 K HA 0.269 4.590 4.320 0.000 0.000 0.270 1658 K C -0.941 175.620 176.600 -0.065 0.000 1.002 1658 K CA -0.885 55.335 56.287 -0.111 0.000 0.868 1658 K CB 0.867 33.354 32.500 -0.021 0.000 1.093 1658 K HN 0.834 nan 8.250 nan 0.000 0.454 1659 N N 1.519 120.078 118.700 -0.235 0.000 2.445 1659 N HA -0.050 4.690 4.740 0.000 0.000 0.264 1659 N C 0.807 176.271 175.510 -0.077 0.000 1.227 1659 N CA -0.404 52.554 53.050 -0.154 0.000 0.963 1659 N CB 0.616 38.866 38.487 -0.396 0.000 1.188 1659 N HN 0.510 nan 8.380 nan 0.000 0.491 1660 E N -0.082 120.091 120.200 -0.044 0.000 2.164 1660 E HA -0.306 4.044 4.350 0.000 0.000 0.206 1660 E C 0.078 176.661 176.600 -0.029 0.000 1.032 1660 E CA 1.791 58.180 56.400 -0.018 0.000 0.832 1660 E CB -0.217 29.479 29.700 -0.007 0.000 0.742 1660 E HN 0.595 nan 8.360 nan 0.000 0.460 1661 D N 0.416 120.782 120.400 -0.057 0.000 2.310 1661 D HA -0.118 4.522 4.640 0.000 0.000 0.212 1661 D C 0.277 176.552 176.300 -0.041 0.000 0.965 1661 D CA 0.934 54.908 54.000 -0.042 0.000 0.879 1661 D CB -0.091 40.680 40.800 -0.047 0.000 0.921 1661 D HN 0.263 nan 8.370 nan 0.000 0.510 1662 D N -1.667 118.699 120.400 -0.055 0.000 3.102 1662 D HA -0.146 4.494 4.640 0.000 0.000 0.210 1662 D C -0.451 175.814 176.300 -0.059 0.000 1.077 1662 D CA 0.357 54.330 54.000 -0.045 0.000 0.969 1662 D CB -1.554 39.232 40.800 -0.023 0.000 1.084 1662 D HN 0.271 nan 8.370 nan 0.000 0.432 1663 c N 0.467 119.011 118.600 -0.094 0.000 2.358 1663 c HA 0.691 5.261 4.570 0.000 0.000 0.354 1663 c C 0.852 174.850 174.090 -0.153 0.000 1.183 1663 c CA -0.981 55.292 56.329 -0.094 0.000 2.150 1663 c CB 1.693 44.158 42.510 -0.075 0.000 2.361 1663 c HN 0.233 nan 8.230 nan 0.000 0.535 1664 V N 1.009 120.853 119.914 -0.117 0.000 2.348 1664 V HA 0.546 4.666 4.120 0.000 0.000 0.270 1664 V C -0.229 175.775 176.094 -0.149 0.000 1.037 1664 V CA -0.198 62.017 62.300 -0.143 0.000 0.872 1664 V CB 0.322 32.106 31.823 -0.065 0.000 1.002 1664 V HN 0.605 nan 8.190 nan 0.000 0.464 1665 V N 6.857 126.585 119.914 -0.310 0.000 2.583 1665 V HA 0.510 4.631 4.120 0.000 0.000 0.287 1665 V C 0.482 176.614 176.094 0.063 0.000 1.051 1665 V CA -0.375 61.820 62.300 -0.174 0.000 1.010 1665 V CB 1.092 32.631 31.823 -0.473 0.000 0.988 1665 V HN 0.896 nan 8.190 nan 0.000 0.478 1666 R N 4.911 125.511 120.500 0.168 0.000 2.437 1666 R HA 0.638 4.979 4.340 0.000 0.000 0.310 1666 R C -0.984 175.519 176.300 0.339 0.000 0.955 1666 R CA -0.304 55.905 56.100 0.181 0.000 0.851 1666 R CB 1.943 32.306 30.300 0.104 0.000 1.161 1666 R HN 0.718 nan 8.270 nan 0.000 0.446 1667 F N -0.819 119.238 119.950 0.178 0.000 2.631 1667 F HA 0.441 4.969 4.527 0.000 0.000 0.308 1667 F C -1.074 174.845 175.800 0.197 0.000 1.097 1667 F CA -1.155 56.960 58.000 0.191 0.000 0.952 1667 F CB 1.908 41.038 39.000 0.216 0.000 1.307 1667 F HN 0.328 nan 8.300 nan 0.000 0.450 1668 Q N 3.095 123.153 119.800 0.431 0.000 2.331 1668 Q HA 0.359 4.699 4.340 0.000 0.000 0.267 1668 Q C -1.956 174.336 176.000 0.486 0.000 1.006 1668 Q CA -0.861 55.157 55.803 0.359 0.000 0.818 1668 Q CB 1.736 30.676 28.738 0.336 0.000 1.276 1668 Q HN 0.843 nan 8.270 nan 0.000 0.450 1669 Y N 3.655 124.141 120.300 0.309 0.000 2.307 1669 Y HA 0.428 4.978 4.550 0.000 0.000 0.324 1669 Y C -1.603 174.499 175.900 0.336 0.000 1.238 1669 Y CA -0.146 58.132 58.100 0.297 0.000 1.280 1669 Y CB 0.929 39.516 38.460 0.211 0.000 1.248 1669 Y HN 0.697 nan 8.280 nan 0.000 0.508 1670 Y N 3.030 123.538 120.300 0.348 0.000 2.409 1670 Y HA 0.331 4.881 4.550 0.000 0.000 0.321 1670 Y C -1.550 174.477 175.900 0.213 0.000 1.209 1670 Y CA -1.083 57.195 58.100 0.297 0.000 1.086 1670 Y CB 1.191 39.817 38.460 0.275 0.000 1.320 1670 Y HN 0.709 nan 8.280 nan 0.000 0.440 1671 E N 5.212 125.584 120.200 0.287 0.000 2.317 1671 E HA 0.539 4.889 4.350 0.000 0.000 0.270 1671 E C -1.396 175.292 176.600 0.146 0.000 0.885 1671 E CA -0.519 56.029 56.400 0.248 0.000 0.760 1671 E CB 3.014 32.853 29.700 0.232 0.000 1.227 1671 E HN 0.752 nan 8.360 nan 0.000 0.434 1672 D N 0.390 120.896 120.400 0.176 0.000 4.710 1672 D HA -0.079 4.561 4.640 0.000 0.000 0.373 1672 D C 0.159 176.548 176.300 0.147 0.000 1.735 1672 D CA -0.026 54.060 54.000 0.143 0.000 0.992 1672 D CB -0.681 40.215 40.800 0.160 0.000 1.448 1672 D HN 0.456 nan 8.370 nan 0.000 0.606 1673 S N -0.507 115.280 115.700 0.145 0.000 3.319 1673 S HA -0.240 4.230 4.470 0.000 0.000 0.619 1673 S C 1.421 176.080 174.600 0.099 0.000 2.833 1673 S CA 1.705 59.977 58.200 0.120 0.000 3.997 1673 S CB -1.764 61.511 63.200 0.124 0.000 0.417 1673 S HN 0.768 nan 8.310 nan 0.000 1.244 1674 S N 1.582 117.337 115.700 0.091 0.000 2.559 1674 S HA 0.205 4.675 4.470 0.000 0.000 0.250 1674 S C 1.485 176.136 174.600 0.084 0.000 0.977 1674 S CA 1.503 59.754 58.200 0.084 0.000 0.958 1674 S CB -0.656 62.590 63.200 0.077 0.000 0.751 1674 S HN 1.896 nan 8.310 nan 0.000 0.534 1675 G N 1.623 110.477 108.800 0.090 0.000 2.143 1675 G HA2 -0.219 3.742 3.960 0.000 0.000 0.175 1675 G HA3 -0.219 3.742 3.960 0.000 0.000 0.175 1675 G C -0.157 174.796 174.900 0.088 0.000 1.004 1675 G CA -0.168 44.985 45.100 0.088 0.000 0.671 1675 G HN 0.651 nan 8.290 nan 0.000 0.512 1676 K N 0.196 120.651 120.400 0.091 0.000 2.326 1676 K HA 0.652 4.972 4.320 0.000 0.000 0.275 1676 K C -0.365 176.291 176.600 0.094 0.000 1.018 1676 K CA 0.036 56.367 56.287 0.074 0.000 0.962 1676 K CB 1.177 33.714 32.500 0.061 0.000 0.953 1676 K HN 0.097 nan 8.250 nan 0.000 0.475 1677 S N 3.843 119.567 115.700 0.040 0.000 2.594 1677 S HA 0.496 4.966 4.470 0.000 0.000 0.296 1677 S C -0.477 174.052 174.600 -0.117 0.000 1.124 1677 S CA -1.012 57.194 58.200 0.009 0.000 1.011 1677 S CB 0.992 64.192 63.200 -0.000 0.000 1.016 1677 S HN 0.661 nan 8.310 nan 0.000 0.485 1678 I N 0.391 120.856 120.570 -0.176 0.000 2.934 1678 I HA 0.581 4.751 4.170 0.000 0.000 0.306 1678 I C -1.499 174.396 176.117 -0.370 0.000 1.110 1678 I CA -1.532 59.572 61.300 -0.328 0.000 1.019 1678 I CB 1.500 39.207 38.000 -0.488 0.000 1.227 1678 I HN 0.646 nan 8.210 nan 0.000 0.434 1679 L N 4.262 125.271 121.223 -0.357 0.000 2.599 1679 L HA 0.387 4.727 4.340 0.000 0.000 0.241 1679 L C -0.922 175.894 176.870 -0.091 0.000 1.207 1679 L CA -0.750 53.983 54.840 -0.180 0.000 0.987 1679 L CB -0.458 41.497 42.059 -0.174 0.000 1.318 1679 L HN 0.443 nan 8.230 nan 0.000 0.458 1680 Y N 0.871 121.205 120.300 0.057 0.000 2.916 1680 Y HA -0.062 4.489 4.550 0.000 0.000 0.344 1680 Y C 0.663 176.648 175.900 0.142 0.000 1.282 1680 Y CA 0.370 58.508 58.100 0.064 0.000 1.604 1680 Y CB 0.108 38.597 38.460 0.047 0.000 1.207 1680 Y HN 0.181 nan 8.280 nan 0.000 0.561 1681 V N 5.544 125.595 119.914 0.229 0.000 2.334 1681 V HA 0.199 4.319 4.120 0.000 0.000 0.281 1681 V C -0.220 175.988 176.094 0.189 0.000 1.016 1681 V CA -1.191 61.245 62.300 0.226 0.000 0.832 1681 V CB 1.252 33.157 31.823 0.137 0.000 0.999 1681 V HN 0.541 nan 8.190 nan 0.000 0.439 1682 V N 5.084 125.118 119.914 0.200 0.000 2.814 1682 V HA 0.004 4.124 4.120 0.000 0.000 0.307 1682 V C 0.696 176.861 176.094 0.118 0.000 1.089 1682 V CA 0.029 62.411 62.300 0.137 0.000 1.212 1682 V CB 0.207 32.103 31.823 0.122 0.000 0.912 1682 V HN 1.070 nan 8.190 nan 0.000 0.497 1683 E N 3.688 123.937 120.200 0.081 0.000 2.231 1683 E HA 0.502 4.852 4.350 0.000 0.000 0.277 1683 E C -0.176 176.459 176.600 0.058 0.000 0.999 1683 E CA -0.657 55.778 56.400 0.059 0.000 0.827 1683 E CB 1.242 30.962 29.700 0.033 0.000 1.101 1683 E HN 0.737 nan 8.360 nan 0.000 0.393 1684 E N 1.725 121.962 120.200 0.063 0.000 3.726 1684 E HA -0.112 4.239 4.350 0.000 0.000 0.165 1684 E C -2.138 174.500 176.600 0.062 0.000 1.525 1684 E CA -0.247 56.188 56.400 0.058 0.000 0.867 1684 E CB -0.737 28.986 29.700 0.038 0.000 1.077 1684 E HN 0.635 nan 8.360 nan 0.000 0.378 1685 P HA -0.015 nan 4.420 nan 0.000 0.295 1685 P C -0.700 176.615 177.300 0.025 0.000 1.300 1685 P CA 0.312 63.441 63.100 0.049 0.000 0.801 1685 P CB 0.345 32.067 31.700 0.037 0.000 1.420 1686 E N -1.054 119.148 120.200 0.002 0.000 2.220 1686 E HA 0.396 4.746 4.350 0.000 0.000 0.256 1686 E C -1.235 175.359 176.600 -0.011 0.000 0.881 1686 E CA -0.453 55.946 56.400 -0.001 0.000 0.766 1686 E CB 0.689 30.386 29.700 -0.004 0.000 1.187 1686 E HN 0.233 nan 8.360 nan 0.000 0.419 1687 c N 3.296 121.895 118.600 -0.003 0.000 2.454 1687 c HA 0.535 5.106 4.570 0.000 0.000 0.336 1687 c C -1.983 172.106 174.090 -0.003 0.000 1.189 1687 c CA -1.638 54.688 56.329 -0.006 0.000 1.877 1687 c CB 0.721 43.232 42.510 0.002 0.000 2.348 1687 c HN 0.651 nan 8.230 nan 0.000 0.508 1688 P HA 0.105 nan 4.420 nan 0.000 0.263 1688 P C -0.496 176.804 177.300 0.002 0.000 1.195 1688 P CA 0.435 63.534 63.100 -0.002 0.000 0.762 1688 P CB 0.415 32.113 31.700 -0.003 0.000 0.799 1689 K N 1.475 121.876 120.400 0.003 0.000 2.180 1689 K HA 0.594 4.914 4.320 0.000 0.000 0.251 1689 K C 0.789 177.391 176.600 0.004 0.000 1.014 1689 K CA 0.054 56.343 56.287 0.004 0.000 0.913 1689 K CB 0.475 32.978 32.500 0.004 0.000 1.008 1689 K HN 0.829 nan 8.250 nan 0.000 0.490 1690 G N 0.000 108.803 108.800 0.004 0.000 5.446 1690 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1690 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1690 G CA 0.000 45.102 45.100 0.004 0.000 0.502 1690 G HN 0.000 nan 8.290 nan 0.000 0.925