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 1nuy_1_A DATA FIRST_RESID 1008 DATA SEQUENCE TNIVTLTRFV MEEGRKARGT GEMTQLLNSL CTAVKAISTA VRKAGIAHLY DATA SEQUENCE GIAGSTNVTG DQVKKLDVLS NDLVINVLKS SFATCVLVSE EDKNAIIVEP DATA SEQUENCE EKRGKYVVCF DPLDGSSNID CLVSIGTIFG IYRKNSTDEP SEKDALQPGR DATA SEQUENCE NLVAAGYALY GSATMLVLAM VNGVNCFMLD PAIGEFILVD RDVKIKKKGS DATA SEQUENCE IYSINEGYAK EFDPAITEYI QRKKFPPDNS APYGARYVGS MVADVHRTLV DATA SEQUENCE YGGIFMYPAN KKSPKGKLRL LYECNPMAYV MEKAGGLATT GKEAVLDIVP DATA SEQUENCE TDIHQRAPII LGSPEDVTEL LEIYQKHA 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 1008 T HA 0.000 nan 4.350 nan 0.000 0.228 1008 T C 0.000 174.711 174.700 0.018 0.000 1.109 1008 T CA 0.000 62.108 62.100 0.013 0.000 1.349 1008 T CB 0.000 68.874 68.868 0.011 0.000 0.612 1009 N N 2.562 121.275 118.700 0.022 0.000 2.664 1009 N HA 0.437 5.160 4.740 -0.028 0.000 0.257 1009 N C -0.294 175.238 175.510 0.038 0.000 1.108 1009 N CA -0.856 52.211 53.050 0.029 0.000 0.822 1009 N CB 0.581 39.084 38.487 0.028 0.000 1.199 1009 N HN 0.431 nan 8.380 nan 0.000 0.529 1010 I N 1.949 122.544 120.570 0.041 0.000 2.379 1010 I HA 0.283 4.437 4.170 -0.028 0.000 0.290 1010 I C -0.322 175.842 176.117 0.079 0.000 1.063 1010 I CA -0.727 60.605 61.300 0.053 0.000 1.351 1010 I CB 0.215 38.242 38.000 0.045 0.000 1.410 1010 I HN 0.079 nan 8.210 nan 0.000 0.505 1011 V N 6.963 126.938 119.914 0.100 0.000 2.284 1011 V HA 0.167 4.271 4.120 -0.028 0.000 0.260 1011 V C 1.103 177.325 176.094 0.213 0.000 1.084 1011 V CA -0.312 62.079 62.300 0.152 0.000 0.894 1011 V CB 0.327 32.248 31.823 0.164 0.000 1.119 1011 V HN 0.962 nan 8.190 nan 0.000 0.484 1012 T N 1.335 115.999 114.554 0.184 0.000 2.849 1012 T HA 0.376 4.709 4.350 -0.028 0.000 0.284 1012 T C 1.278 176.081 174.700 0.172 0.000 1.004 1012 T CA -0.465 61.741 62.100 0.177 0.000 1.021 1012 T CB 1.509 70.438 68.868 0.101 0.000 1.013 1012 T HN 0.310 nan 8.240 nan 0.000 0.527 1013 L N 0.871 122.076 121.223 -0.030 0.000 2.042 1013 L HA -0.119 4.204 4.340 -0.028 0.000 0.210 1013 L C 2.699 179.468 176.870 -0.168 0.000 1.076 1013 L CA 2.021 56.548 54.840 -0.522 0.000 0.749 1013 L CB -1.018 40.528 42.059 -0.856 0.000 0.893 1013 L HN 0.942 nan 8.230 nan 0.000 0.432 1014 T N -0.058 114.455 114.554 -0.068 0.000 2.665 1014 T HA -0.207 4.126 4.350 -0.028 0.000 0.268 1014 T C 1.896 176.616 174.700 0.032 0.000 1.035 1014 T CA 1.734 63.820 62.100 -0.024 0.000 1.151 1014 T CB -0.229 68.637 68.868 -0.004 0.000 0.862 1014 T HN 0.419 nan 8.240 nan 0.000 0.438 1015 R N 0.142 120.687 120.500 0.076 0.000 2.070 1015 R HA -0.052 4.272 4.340 -0.028 0.000 0.233 1015 R C 2.254 178.626 176.300 0.120 0.000 1.137 1015 R CA 1.421 57.575 56.100 0.090 0.000 0.945 1015 R CB -1.064 29.301 30.300 0.109 0.000 0.845 1015 R HN 0.381 nan 8.270 nan 0.000 0.430 1016 F N 1.803 121.791 119.950 0.063 0.000 2.091 1016 F HA -0.254 4.257 4.527 -0.027 0.000 0.299 1016 F C 2.292 178.119 175.800 0.045 0.000 1.103 1016 F CA 1.548 59.608 58.000 0.101 0.000 1.228 1016 F CB -0.110 39.048 39.000 0.263 0.000 0.984 1016 F HN -0.261 nan 8.300 nan 0.000 0.477 1017 V N 0.163 120.186 119.914 0.182 0.000 2.548 1017 V HA -0.307 3.796 4.120 -0.028 0.000 0.249 1017 V C 2.299 178.393 176.094 -0.001 0.000 1.055 1017 V CA 1.920 64.267 62.300 0.079 0.000 1.065 1017 V CB -0.472 31.364 31.823 0.021 0.000 0.681 1017 V HN 0.489 nan 8.190 nan 0.000 0.462 1018 M N -0.006 119.592 119.600 -0.004 0.000 2.132 1018 M HA -0.175 4.288 4.480 -0.028 0.000 0.263 1018 M C 2.187 178.463 176.300 -0.041 0.000 1.065 1018 M CA 1.855 57.146 55.300 -0.016 0.000 1.122 1018 M CB -0.133 32.465 32.600 -0.004 0.000 1.365 1018 M HN 0.368 nan 8.290 nan 0.000 0.411 1019 E N -0.395 119.761 120.200 -0.073 0.000 2.150 1019 E HA -0.242 4.091 4.350 -0.028 0.000 0.193 1019 E C 1.800 178.318 176.600 -0.136 0.000 0.985 1019 E CA 1.208 57.544 56.400 -0.107 0.000 0.814 1019 E CB -0.210 29.409 29.700 -0.136 0.000 0.752 1019 E HN 0.504 nan 8.360 nan 0.000 0.466 1020 E N 1.219 121.312 120.200 -0.179 0.000 2.051 1020 E HA -0.139 4.194 4.350 -0.028 0.000 0.192 1020 E C 2.147 178.714 176.600 -0.055 0.000 0.991 1020 E CA 1.665 57.982 56.400 -0.137 0.000 0.799 1020 E CB -0.727 28.908 29.700 -0.107 0.000 0.748 1020 E HN 0.233 nan 8.360 nan 0.000 0.449 1021 G N 0.592 109.373 108.800 -0.030 0.000 2.462 1021 G HA2 -0.368 3.576 3.960 -0.028 0.000 0.220 1021 G HA3 -0.368 3.576 3.960 -0.028 0.000 0.220 1021 G C 1.700 176.594 174.900 -0.010 0.000 1.121 1021 G CA 0.925 46.023 45.100 -0.004 0.000 0.758 1021 G HN 0.318 nan 8.290 nan 0.000 0.559 1022 R N 0.627 121.111 120.500 -0.026 0.000 2.097 1022 R HA -0.141 4.182 4.340 -0.028 0.000 0.236 1022 R C 2.507 178.797 176.300 -0.017 0.000 1.135 1022 R CA 1.819 57.905 56.100 -0.023 0.000 0.934 1022 R CB -0.197 30.083 30.300 -0.034 0.000 0.846 1022 R HN 0.209 nan 8.270 nan 0.000 0.431 1023 K N 0.697 121.083 120.400 -0.024 0.000 1.974 1023 K HA -0.187 4.117 4.320 -0.028 0.000 0.231 1023 K C 1.395 177.993 176.600 -0.004 0.000 1.035 1023 K CA 1.390 57.668 56.287 -0.016 0.000 1.044 1023 K CB -1.168 31.320 32.500 -0.020 0.000 0.738 1023 K HN 0.353 nan 8.250 nan 0.000 0.447 1024 A N 1.500 124.322 122.820 0.003 0.000 2.454 1024 A HA -0.025 4.278 4.320 -0.028 0.000 0.256 1024 A C 0.334 177.925 177.584 0.012 0.000 1.132 1024 A CA 0.124 52.168 52.037 0.012 0.000 0.810 1024 A CB -0.145 18.869 19.000 0.023 0.000 1.083 1024 A HN 0.392 nan 8.150 nan 0.000 0.516 1025 R N -0.696 119.814 120.500 0.016 0.000 2.316 1025 R HA 0.440 4.763 4.340 -0.028 0.000 0.314 1025 R C 0.235 176.549 176.300 0.023 0.000 1.069 1025 R CA 1.087 57.196 56.100 0.015 0.000 0.959 1025 R CB 0.230 30.537 30.300 0.013 0.000 0.987 1025 R HN 0.910 nan 8.270 nan 0.000 0.446 1026 G N 0.625 109.438 108.800 0.022 0.000 2.571 1026 G HA2 0.242 4.185 3.960 -0.028 0.000 0.304 1026 G HA3 0.242 4.185 3.960 -0.028 0.000 0.304 1026 G C 0.433 175.352 174.900 0.031 0.000 1.314 1026 G CA -0.439 44.682 45.100 0.036 0.000 0.975 1026 G HN 0.617 nan 8.290 nan 0.000 0.485 1027 T N -2.182 112.397 114.554 0.041 0.000 3.081 1027 T HA 0.353 4.686 4.350 -0.028 0.000 0.255 1027 T C 1.804 176.527 174.700 0.038 0.000 1.113 1027 T CA 1.121 63.239 62.100 0.030 0.000 1.082 1027 T CB 0.192 69.073 68.868 0.022 0.000 0.939 1027 T HN 2.195 nan 8.240 nan 0.000 0.506 1028 G N 1.075 109.909 108.800 0.056 0.000 2.176 1028 G HA2 -0.255 3.688 3.960 -0.028 0.000 0.232 1028 G HA3 -0.255 3.688 3.960 -0.028 0.000 0.232 1028 G C 0.697 175.641 174.900 0.073 0.000 0.986 1028 G CA 0.336 45.465 45.100 0.048 0.000 0.643 1028 G HN 0.516 nan 8.290 nan 0.000 0.522 1029 E N -0.765 119.510 120.200 0.124 0.000 2.085 1029 E HA -0.153 4.180 4.350 -0.028 0.000 0.194 1029 E C 2.407 179.112 176.600 0.174 0.000 0.994 1029 E CA 1.690 58.205 56.400 0.190 0.000 0.801 1029 E CB -0.143 29.722 29.700 0.276 0.000 0.743 1029 E HN 0.588 nan 8.360 nan 0.000 0.453 1030 M N 0.497 120.188 119.600 0.151 0.000 2.175 1030 M HA -0.114 4.349 4.480 -0.028 0.000 0.264 1030 M C 2.061 178.312 176.300 -0.082 0.000 1.063 1030 M CA 1.655 56.900 55.300 -0.092 0.000 1.119 1030 M CB -0.277 32.248 32.600 -0.125 0.000 1.377 1030 M HN -0.097 nan 8.290 nan 0.000 0.415 1031 T N 0.562 115.100 114.554 -0.027 0.000 2.720 1031 T HA -0.203 4.130 4.350 -0.028 0.000 0.268 1031 T C 1.723 176.398 174.700 -0.042 0.000 1.037 1031 T CA 1.949 64.027 62.100 -0.038 0.000 1.144 1031 T CB -0.330 68.531 68.868 -0.013 0.000 0.864 1031 T HN 0.561 nan 8.240 nan 0.000 0.444 1032 Q N 0.315 120.112 119.800 -0.005 0.000 2.061 1032 Q HA -0.094 4.229 4.340 -0.028 0.000 0.204 1032 Q C 2.370 178.350 176.000 -0.034 0.000 0.984 1032 Q CA 1.151 56.958 55.803 0.006 0.000 0.846 1032 Q CB -0.416 28.360 28.738 0.064 0.000 0.902 1032 Q HN 0.324 nan 8.270 nan 0.000 0.421 1033 L N 0.715 121.905 121.223 -0.055 0.000 1.994 1033 L HA -0.149 4.174 4.340 -0.028 0.000 0.208 1033 L C 1.867 178.621 176.870 -0.194 0.000 1.071 1033 L CA 1.782 56.552 54.840 -0.117 0.000 0.745 1033 L CB -0.872 41.095 42.059 -0.154 0.000 0.892 1033 L HN 0.234 nan 8.230 nan 0.000 0.431 1034 L N -0.359 120.737 121.223 -0.210 0.000 2.109 1034 L HA -0.167 4.157 4.340 -0.028 0.000 0.207 1034 L C 2.333 179.064 176.870 -0.233 0.000 1.086 1034 L CA 1.428 56.103 54.840 -0.275 0.000 0.760 1034 L CB -0.661 41.246 42.059 -0.253 0.000 0.910 1034 L HN 0.432 nan 8.230 nan 0.000 0.437 1035 N N -0.624 117.985 118.700 -0.150 0.000 2.104 1035 N HA -0.193 4.530 4.740 -0.028 0.000 0.190 1035 N C 1.940 177.386 175.510 -0.107 0.000 1.024 1035 N CA 1.489 54.475 53.050 -0.107 0.000 0.853 1035 N CB -0.035 38.418 38.487 -0.057 0.000 1.008 1035 N HN 0.191 nan 8.380 nan 0.000 0.424 1036 S N 1.008 116.640 115.700 -0.113 0.000 2.359 1036 S HA -0.119 4.335 4.470 -0.028 0.000 0.224 1036 S C 1.885 176.387 174.600 -0.163 0.000 1.035 1036 S CA 0.757 58.888 58.200 -0.116 0.000 1.018 1036 S CB -0.353 62.780 63.200 -0.111 0.000 0.876 1036 S HN 0.224 nan 8.310 nan 0.000 0.448 1037 L N 1.431 122.508 121.223 -0.243 0.000 2.083 1037 L HA -0.084 4.240 4.340 -0.028 0.000 0.209 1037 L C 2.265 178.980 176.870 -0.258 0.000 1.083 1037 L CA 1.525 56.172 54.840 -0.321 0.000 0.752 1037 L CB -0.942 40.810 42.059 -0.512 0.000 0.899 1037 L HN 0.348 nan 8.230 nan 0.000 0.433 1038 C N -1.119 118.037 119.300 -0.239 0.000 2.413 1038 C HA -0.163 4.280 4.460 -0.028 0.000 0.277 1038 C C 2.631 177.656 174.990 0.058 0.000 1.265 1038 C CA 1.405 60.343 59.018 -0.132 0.000 1.752 1038 C CB -1.296 26.398 27.740 -0.076 0.000 1.998 1038 C HN 0.619 nan 8.230 nan 0.000 0.489 1039 T N 1.063 115.613 114.554 -0.006 0.000 2.708 1039 T HA -0.129 4.204 4.350 -0.028 0.000 0.266 1039 T C 2.132 176.833 174.700 0.001 0.000 1.037 1039 T CA 1.702 63.808 62.100 0.010 0.000 1.146 1039 T CB -0.412 68.442 68.868 -0.023 0.000 0.865 1039 T HN 0.649 nan 8.240 nan 0.000 0.435 1040 A N 0.974 123.766 122.820 -0.046 0.000 1.902 1040 A HA -0.058 4.245 4.320 -0.028 0.000 0.217 1040 A C 2.589 180.181 177.584 0.014 0.000 1.181 1040 A CA 1.400 53.407 52.037 -0.049 0.000 0.623 1040 A CB -1.066 17.865 19.000 -0.116 0.000 0.818 1040 A HN 0.349 nan 8.150 nan 0.000 0.443 1041 V N 0.291 120.238 119.914 0.054 0.000 2.332 1041 V HA -0.304 3.799 4.120 -0.028 0.000 0.248 1041 V C 2.455 178.714 176.094 0.275 0.000 1.055 1041 V CA 2.423 64.852 62.300 0.214 0.000 1.038 1041 V CB -0.706 31.224 31.823 0.180 0.000 0.651 1041 V HN 0.565 nan 8.190 nan 0.000 0.450 1042 K N 0.275 120.817 120.400 0.237 0.000 2.057 1042 K HA -0.118 4.186 4.320 -0.028 0.000 0.207 1042 K C 2.309 178.935 176.600 0.043 0.000 1.049 1042 K CA 1.482 57.852 56.287 0.139 0.000 0.931 1042 K CB -0.416 32.126 32.500 0.069 0.000 0.714 1042 K HN 0.480 nan 8.250 nan 0.000 0.440 1043 A N 1.443 124.273 122.820 0.017 0.000 1.930 1043 A HA -0.118 4.185 4.320 -0.028 0.000 0.217 1043 A C 2.119 179.661 177.584 -0.069 0.000 1.175 1043 A CA 1.189 53.208 52.037 -0.029 0.000 0.627 1043 A CB -0.533 18.448 19.000 -0.032 0.000 0.815 1043 A HN 0.164 nan 8.150 nan 0.000 0.443 1044 I N -0.841 119.680 120.570 -0.082 0.000 2.252 1044 I HA -0.203 3.950 4.170 -0.028 0.000 0.245 1044 I C 2.810 178.700 176.117 -0.378 0.000 1.102 1044 I CA 1.412 62.582 61.300 -0.217 0.000 1.385 1044 I CB -0.279 37.588 38.000 -0.222 0.000 1.064 1044 I HN 0.392 nan 8.210 nan 0.000 0.414 1045 S N 0.215 115.744 115.700 -0.285 0.000 2.370 1045 S HA -0.209 4.244 4.470 -0.028 0.000 0.226 1045 S C 2.096 176.619 174.600 -0.129 0.000 1.033 1045 S CA 2.349 60.423 58.200 -0.210 0.000 1.011 1045 S CB -0.344 62.939 63.200 0.139 0.000 0.852 1045 S HN 0.431 nan 8.310 nan 0.000 0.457 1046 T N 1.834 116.336 114.554 -0.087 0.000 2.788 1046 T HA 0.043 4.377 4.350 -0.028 0.000 0.268 1046 T C 2.046 176.689 174.700 -0.096 0.000 1.044 1046 T CA 1.268 63.324 62.100 -0.073 0.000 1.139 1046 T CB -0.629 68.204 68.868 -0.059 0.000 0.867 1046 T HN 0.527 nan 8.240 nan 0.000 0.454 1047 A N 0.915 123.662 122.820 -0.122 0.000 1.898 1047 A HA -0.023 4.280 4.320 -0.028 0.000 0.216 1047 A C 2.567 180.062 177.584 -0.148 0.000 1.181 1047 A CA 1.194 53.151 52.037 -0.132 0.000 0.620 1047 A CB -0.969 17.953 19.000 -0.130 0.000 0.819 1047 A HN 0.347 nan 8.150 nan 0.000 0.442 1048 V N -0.225 119.585 119.914 -0.173 0.000 2.407 1048 V HA -0.225 3.878 4.120 -0.028 0.000 0.248 1048 V C 2.619 178.678 176.094 -0.060 0.000 1.055 1048 V CA 2.273 64.496 62.300 -0.129 0.000 1.049 1048 V CB -0.759 30.941 31.823 -0.206 0.000 0.662 1048 V HN 0.457 nan 8.190 nan 0.000 0.455 1049 R N 0.817 121.282 120.500 -0.059 0.000 2.235 1049 R HA -0.055 4.268 4.340 -0.028 0.000 0.213 1049 R C 1.587 177.867 176.300 -0.034 0.000 1.059 1049 R CA 0.832 56.920 56.100 -0.020 0.000 0.997 1049 R CB -0.131 30.159 30.300 -0.016 0.000 0.884 1049 R HN 0.739 nan 8.270 nan 0.000 0.462 1050 K N -2.374 117.980 120.400 -0.077 0.000 2.676 1050 K HA 0.428 4.731 4.320 -0.028 0.000 0.205 1050 K C 0.958 177.454 176.600 -0.173 0.000 1.084 1050 K CA 0.290 56.520 56.287 -0.096 0.000 1.057 1050 K CB 0.922 33.366 32.500 -0.093 0.000 0.791 1050 K HN -0.063 nan 8.250 nan 0.000 0.484 1051 A N 1.372 124.054 122.820 -0.230 0.000 1.908 1051 A HA -0.061 4.242 4.320 -0.028 0.000 0.218 1051 A C 2.247 179.407 177.584 -0.706 0.000 1.181 1051 A CA 1.913 53.651 52.037 -0.497 0.000 0.627 1051 A CB -1.099 17.498 19.000 -0.673 0.000 0.818 1051 A HN 0.539 nan 8.150 nan 0.000 0.445 1052 G N -0.394 108.095 108.800 -0.519 0.000 2.443 1052 G HA2 -0.092 3.852 3.960 -0.028 0.000 0.219 1052 G HA3 -0.092 3.852 3.960 -0.028 0.000 0.219 1052 G C 1.450 176.245 174.900 -0.175 0.000 1.131 1052 G CA 0.985 45.957 45.100 -0.213 0.000 0.775 1052 G HN 0.495 nan 8.290 nan 0.000 0.547 1053 I N 1.009 121.458 120.570 -0.201 0.000 2.439 1053 I HA -0.023 4.131 4.170 -0.028 0.000 0.251 1053 I C 2.822 178.655 176.117 -0.473 0.000 1.139 1053 I CA 0.835 61.977 61.300 -0.262 0.000 1.438 1053 I CB 0.094 37.995 38.000 -0.166 0.000 1.085 1053 I HN 0.215 nan 8.210 nan 0.000 0.427 1054 A N -0.911 121.681 122.820 -0.379 0.000 2.307 1054 A HA 0.027 4.330 4.320 -0.028 0.000 0.218 1054 A C 0.544 177.975 177.584 -0.256 0.000 1.228 1054 A CA 0.003 51.840 52.037 -0.332 0.000 0.857 1054 A CB -0.888 17.989 19.000 -0.205 0.000 0.897 1054 A HN 0.654 nan 8.150 nan 0.000 0.495 1055 H N -1.924 117.060 119.070 -0.143 0.000 2.826 1055 H HA -0.134 4.408 4.556 -0.022 0.000 0.306 1055 H C 0.320 175.562 175.328 -0.144 0.000 1.235 1055 H CA 0.546 56.527 56.048 -0.112 0.000 1.150 1055 H CB -1.900 27.828 29.762 -0.056 0.000 1.409 1055 H HN 0.453 nan 8.280 nan 0.000 0.420 1056 L N -0.252 120.847 121.223 -0.206 0.000 2.667 1056 L HA 0.186 4.509 4.340 -0.028 0.000 0.232 1056 L C 0.523 177.306 176.870 -0.146 0.000 1.138 1056 L CA 0.025 54.756 54.840 -0.181 0.000 0.921 1056 L CB 0.053 41.977 42.059 -0.225 0.000 1.180 1056 L HN 0.281 nan 8.230 nan 0.000 0.487 1057 Y N 0.372 120.696 120.300 0.039 0.000 2.316 1057 Y HA 0.573 5.107 4.550 -0.027 0.000 0.324 1057 Y C 1.194 177.112 175.900 0.029 0.000 1.267 1057 Y CA -0.064 58.054 58.100 0.030 0.000 1.311 1057 Y CB 1.333 39.811 38.460 0.030 0.000 1.267 1057 Y HN 0.100 nan 8.280 nan 0.000 0.516 1058 G N 0.856 109.781 108.800 0.207 0.000 2.462 1058 G HA2 -0.067 3.877 3.960 -0.028 0.000 0.685 1058 G HA3 -0.067 3.877 3.960 -0.028 0.000 0.685 1058 G C -1.241 173.708 174.900 0.080 0.000 1.295 1058 G CA -0.664 44.506 45.100 0.116 0.000 0.941 1058 G HN 0.926 nan 8.290 nan 0.000 0.554 1059 I N -1.716 118.887 120.570 0.055 0.000 2.677 1059 I HA 0.768 4.921 4.170 -0.028 0.000 0.305 1059 I C 1.222 177.359 176.117 0.032 0.000 0.988 1059 I CA -0.240 61.085 61.300 0.042 0.000 1.260 1059 I CB 1.825 39.844 38.000 0.032 0.000 1.410 1059 I HN 1.219 nan 8.210 nan 0.000 0.523 1060 A N 2.913 125.748 122.820 0.026 0.000 2.147 1060 A HA 0.430 4.733 4.320 -0.028 0.000 0.211 1060 A C 1.693 179.285 177.584 0.013 0.000 1.160 1060 A CA 0.548 52.596 52.037 0.018 0.000 0.781 1060 A CB -0.601 18.410 19.000 0.017 0.000 0.842 1060 A HN 1.736 nan 8.150 nan 0.000 0.475 1061 G N -0.888 107.920 108.800 0.013 0.000 2.144 1061 G HA2 -0.102 3.841 3.960 -0.028 0.000 0.218 1061 G HA3 -0.102 3.841 3.960 -0.028 0.000 0.218 1061 G C 0.256 175.160 174.900 0.007 0.000 0.988 1061 G CA 0.734 45.839 45.100 0.009 0.000 0.659 1061 G HN 1.773 nan 8.290 nan 0.000 0.522 1062 S N -1.428 114.276 115.700 0.007 0.000 2.685 1062 S HA 0.865 5.318 4.470 -0.028 0.000 0.282 1062 S C -0.639 173.962 174.600 0.002 0.000 1.159 1062 S CA 0.121 58.323 58.200 0.002 0.000 0.833 1062 S CB 2.483 65.682 63.200 -0.001 0.000 1.151 1062 S HN 0.701 nan 8.310 nan 0.000 0.485 1063 T N 2.626 117.178 114.554 -0.004 0.000 2.829 1063 T HA 0.579 4.912 4.350 -0.028 0.000 0.280 1063 T C -0.140 174.545 174.700 -0.024 0.000 0.999 1063 T CA -0.737 61.358 62.100 -0.008 0.000 0.983 1063 T CB 1.065 69.929 68.868 -0.006 0.000 0.968 1063 T HN 0.827 nan 8.240 nan 0.000 0.446 1064 N N 1.200 119.879 118.700 -0.035 0.000 2.418 1064 N HA 0.184 4.908 4.740 -0.028 0.000 0.283 1064 N C 1.405 176.856 175.510 -0.099 0.000 1.267 1064 N CA -0.856 52.152 53.050 -0.070 0.000 0.975 1064 N CB -0.177 38.262 38.487 -0.080 0.000 1.167 1064 N HN 0.247 nan 8.380 nan 0.000 0.581 1065 V N -1.042 118.765 119.914 -0.179 0.000 2.407 1065 V HA -0.161 3.942 4.120 -0.028 0.000 0.248 1065 V C 1.618 177.628 176.094 -0.139 0.000 1.055 1065 V CA 2.588 64.772 62.300 -0.193 0.000 1.049 1065 V CB -0.910 30.715 31.823 -0.329 0.000 0.662 1065 V HN 0.911 nan 8.190 nan 0.000 0.455 1066 T N -0.884 113.589 114.554 -0.136 0.000 3.235 1066 T HA 0.360 4.694 4.350 -0.028 0.000 0.251 1066 T C 1.117 175.802 174.700 -0.024 0.000 1.060 1066 T CA 0.892 62.960 62.100 -0.053 0.000 0.949 1066 T CB -0.731 68.126 68.868 -0.017 0.000 1.020 1066 T HN 1.233 nan 8.240 nan 0.000 0.564 1067 G N 1.380 110.163 108.800 -0.027 0.000 2.157 1067 G HA2 -0.177 3.767 3.960 -0.028 0.000 0.248 1067 G HA3 -0.177 3.767 3.960 -0.028 0.000 0.248 1067 G C -0.318 174.585 174.900 0.005 0.000 0.979 1067 G CA -0.025 45.071 45.100 -0.007 0.000 0.650 1067 G HN 0.554 nan 8.290 nan 0.000 0.529 1068 D N 0.449 120.851 120.400 0.003 0.000 2.344 1068 D HA 0.355 4.979 4.640 -0.028 0.000 0.244 1068 D C 0.778 177.087 176.300 0.014 0.000 1.134 1068 D CA 0.029 54.040 54.000 0.018 0.000 0.930 1068 D CB 0.501 41.315 40.800 0.024 0.000 1.175 1068 D HN 0.333 nan 8.370 nan 0.000 0.437 1069 Q N 0.667 120.481 119.800 0.024 0.000 2.307 1069 Q HA 0.193 4.516 4.340 -0.028 0.000 0.261 1069 Q C -0.620 175.394 176.000 0.024 0.000 1.051 1069 Q CA -0.341 55.475 55.803 0.023 0.000 0.911 1069 Q CB 0.866 29.621 28.738 0.029 0.000 1.227 1069 Q HN 0.214 nan 8.270 nan 0.000 0.418 1070 V N 5.107 125.032 119.914 0.017 0.000 2.521 1070 V HA 0.043 4.146 4.120 -0.028 0.000 0.286 1070 V C 0.446 176.557 176.094 0.029 0.000 1.034 1070 V CA -0.041 62.271 62.300 0.020 0.000 1.045 1070 V CB 0.410 32.240 31.823 0.011 0.000 0.974 1070 V HN 0.568 nan 8.190 nan 0.000 0.480 1071 K N 3.893 124.316 120.400 0.039 0.000 2.087 1071 K HA 0.370 4.673 4.320 -0.028 0.000 0.255 1071 K C 0.997 177.623 176.600 0.042 0.000 0.988 1071 K CA -0.652 55.665 56.287 0.049 0.000 0.915 1071 K CB 1.171 33.711 32.500 0.066 0.000 1.043 1071 K HN 0.445 nan 8.250 nan 0.000 0.457 1072 K N 0.736 121.162 120.400 0.043 0.000 2.113 1072 K HA -0.122 4.182 4.320 -0.028 0.000 0.208 1072 K C 1.921 178.532 176.600 0.019 0.000 1.047 1072 K CA 1.304 57.607 56.287 0.027 0.000 0.928 1072 K CB -0.090 32.424 32.500 0.024 0.000 0.716 1072 K HN 0.334 nan 8.250 nan 0.000 0.446 1073 L N 0.730 121.971 121.223 0.030 0.000 2.240 1073 L HA -0.130 4.194 4.340 -0.028 0.000 0.211 1073 L C 1.668 178.554 176.870 0.027 0.000 1.106 1073 L CA 0.611 55.460 54.840 0.015 0.000 0.793 1073 L CB -0.209 41.864 42.059 0.024 0.000 0.927 1073 L HN 0.173 nan 8.230 nan 0.000 0.446 1074 D N -0.210 120.215 120.400 0.042 0.000 2.123 1074 D HA -0.167 4.456 4.640 -0.028 0.000 0.196 1074 D C 2.264 178.587 176.300 0.040 0.000 0.992 1074 D CA 1.244 55.272 54.000 0.047 0.000 0.833 1074 D CB -0.014 40.812 40.800 0.042 0.000 0.954 1074 D HN 0.118 nan 8.370 nan 0.000 0.455 1075 V N 1.153 121.083 119.914 0.027 0.000 2.307 1075 V HA -0.195 3.908 4.120 -0.028 0.000 0.245 1075 V C 2.470 178.574 176.094 0.016 0.000 1.045 1075 V CA 0.983 63.296 62.300 0.021 0.000 1.024 1075 V CB -0.417 31.414 31.823 0.014 0.000 0.651 1075 V HN 0.116 nan 8.190 nan 0.000 0.449 1076 L N 1.184 122.409 121.223 0.005 0.000 2.017 1076 L HA -0.154 4.169 4.340 -0.028 0.000 0.208 1076 L C 2.728 179.594 176.870 -0.007 0.000 1.073 1076 L CA 2.637 57.472 54.840 -0.009 0.000 0.745 1076 L CB -0.849 41.194 42.059 -0.027 0.000 0.894 1076 L HN 0.501 nan 8.230 nan 0.000 0.432 1077 S N -0.824 114.878 115.700 0.003 0.000 2.368 1077 S HA -0.231 4.222 4.470 -0.028 0.000 0.225 1077 S C 1.966 176.588 174.600 0.037 0.000 1.030 1077 S CA 1.364 59.572 58.200 0.013 0.000 0.999 1077 S CB -1.107 62.117 63.200 0.039 0.000 0.844 1077 S HN 0.611 nan 8.310 nan 0.000 0.459 1078 N N 2.199 120.945 118.700 0.076 0.000 2.084 1078 N HA -0.117 4.606 4.740 -0.028 0.000 0.190 1078 N C 1.239 176.797 175.510 0.081 0.000 1.030 1078 N CA 1.851 54.984 53.050 0.138 0.000 0.849 1078 N CB -0.559 38.002 38.487 0.124 0.000 1.012 1078 N HN 0.352 nan 8.380 nan 0.000 0.423 1079 D N -0.006 120.416 120.400 0.036 0.000 2.117 1079 D HA -0.111 4.512 4.640 -0.028 0.000 0.197 1079 D C 2.029 178.316 176.300 -0.022 0.000 0.987 1079 D CA 0.654 54.661 54.000 0.011 0.000 0.829 1079 D CB -0.306 40.495 40.800 0.001 0.000 0.961 1079 D HN 0.319 nan 8.370 nan 0.000 0.460 1080 L N 0.188 121.390 121.223 -0.036 0.000 2.017 1080 L HA -0.157 4.166 4.340 -0.028 0.000 0.208 1080 L C 2.534 179.337 176.870 -0.111 0.000 1.073 1080 L CA 0.733 55.535 54.840 -0.063 0.000 0.745 1080 L CB -0.333 41.691 42.059 -0.058 0.000 0.894 1080 L HN -0.045 nan 8.230 nan 0.000 0.432 1081 V N -0.100 119.718 119.914 -0.159 0.000 2.358 1081 V HA -0.262 3.841 4.120 -0.028 0.000 0.246 1081 V C 2.288 178.196 176.094 -0.311 0.000 1.047 1081 V CA 1.656 63.753 62.300 -0.339 0.000 1.035 1081 V CB -0.311 31.120 31.823 -0.653 0.000 0.658 1081 V HN 0.303 nan 8.190 nan 0.000 0.452 1082 I N 0.761 121.242 120.570 -0.149 0.000 2.208 1082 I HA -0.246 3.908 4.170 -0.028 0.000 0.245 1082 I C 2.363 178.439 176.117 -0.068 0.000 1.097 1082 I CA 1.572 62.853 61.300 -0.033 0.000 1.363 1082 I CB -0.509 37.538 38.000 0.079 0.000 1.051 1082 I HN 0.362 nan 8.210 nan 0.000 0.413 1083 N N 0.552 119.209 118.700 -0.071 0.000 2.142 1083 N HA -0.134 4.590 4.740 -0.028 0.000 0.186 1083 N C 1.950 177.399 175.510 -0.102 0.000 1.023 1083 N CA 1.760 54.765 53.050 -0.076 0.000 0.852 1083 N CB -0.677 37.774 38.487 -0.060 0.000 0.998 1083 N HN 0.426 nan 8.380 nan 0.000 0.424 1084 V N -0.876 118.967 119.914 -0.119 0.000 2.453 1084 V HA -0.042 4.061 4.120 -0.028 0.000 0.247 1084 V C 2.073 178.083 176.094 -0.140 0.000 1.048 1084 V CA 1.164 63.389 62.300 -0.125 0.000 1.049 1084 V CB -0.859 30.886 31.823 -0.130 0.000 0.672 1084 V HN 0.116 nan 8.190 nan 0.000 0.457 1085 L N -0.337 120.792 121.223 -0.157 0.000 2.056 1085 L HA -0.089 4.234 4.340 -0.028 0.000 0.207 1085 L C 2.911 179.714 176.870 -0.111 0.000 1.078 1085 L CA 1.965 56.726 54.840 -0.133 0.000 0.749 1085 L CB -0.642 41.337 42.059 -0.132 0.000 0.901 1085 L HN 0.271 nan 8.230 nan 0.000 0.433 1086 K N 0.162 120.495 120.400 -0.113 0.000 2.063 1086 K HA -0.169 4.135 4.320 -0.028 0.000 0.208 1086 K C 2.223 178.669 176.600 -0.257 0.000 1.048 1086 K CA 1.864 58.067 56.287 -0.140 0.000 0.928 1086 K CB -0.231 32.202 32.500 -0.113 0.000 0.713 1086 K HN 0.357 nan 8.250 nan 0.000 0.442 1087 S N 0.447 116.000 115.700 -0.246 0.000 2.555 1087 S HA -0.071 4.382 4.470 -0.028 0.000 0.230 1087 S C 1.854 176.241 174.600 -0.355 0.000 0.978 1087 S CA 1.056 59.047 58.200 -0.348 0.000 0.934 1087 S CB -0.146 62.941 63.200 -0.188 0.000 0.766 1087 S HN 0.285 nan 8.310 nan 0.000 0.533 1088 S N 0.697 116.279 115.700 -0.198 0.000 2.481 1088 S HA 0.065 4.518 4.470 -0.028 0.000 0.231 1088 S C 0.742 175.418 174.600 0.127 0.000 0.996 1088 S CA 0.294 58.475 58.200 -0.031 0.000 0.942 1088 S CB -1.179 62.003 63.200 -0.031 0.000 0.768 1088 S HN 0.541 nan 8.310 nan 0.000 0.520 1089 F N -0.295 119.660 119.950 0.007 0.000 3.006 1089 F HA -0.277 4.233 4.527 -0.028 0.000 0.289 1089 F C 1.347 177.168 175.800 0.036 0.000 0.772 1089 F CA 0.363 58.373 58.000 0.016 0.000 1.162 1089 F CB -1.748 37.258 39.000 0.010 0.000 1.382 1089 F HN 0.428 nan 8.300 nan 0.000 0.406 1090 A N -1.082 121.841 122.820 0.171 0.000 2.431 1090 A HA 0.481 4.784 4.320 -0.028 0.000 0.239 1090 A C 1.004 178.713 177.584 0.209 0.000 1.230 1090 A CA 0.854 53.014 52.037 0.207 0.000 0.928 1090 A CB 0.159 19.287 19.000 0.213 0.000 1.006 1090 A HN 0.412 nan 8.150 nan 0.000 0.520 1091 T N -4.392 110.236 114.554 0.124 0.000 2.916 1091 T HA 0.460 4.793 4.350 -0.028 0.000 0.292 1091 T C 0.477 175.222 174.700 0.076 0.000 1.055 1091 T CA -0.021 62.152 62.100 0.121 0.000 1.009 1091 T CB 1.451 70.376 68.868 0.095 0.000 1.118 1091 T HN 0.700 nan 8.240 nan 0.000 0.497 1092 C N 0.092 119.439 119.300 0.078 0.000 3.685 1092 C HA 0.663 5.106 4.460 -0.028 0.000 0.513 1092 C C -0.217 174.803 174.990 0.050 0.000 1.448 1092 C CA -0.298 58.750 59.018 0.050 0.000 2.275 1092 C CB -0.533 27.228 27.740 0.035 0.000 3.373 1092 C HN 0.694 nan 8.230 nan 0.000 0.627 1093 V N 2.403 122.359 119.914 0.070 0.000 2.686 1093 V HA 0.573 4.676 4.120 -0.028 0.000 0.306 1093 V C -0.917 175.237 176.094 0.099 0.000 1.065 1093 V CA -0.219 62.119 62.300 0.064 0.000 0.894 1093 V CB 1.828 33.678 31.823 0.045 0.000 1.004 1093 V HN 0.390 nan 8.190 nan 0.000 0.424 1094 L N 4.576 125.856 121.223 0.095 0.000 2.362 1094 L HA 0.769 5.092 4.340 -0.028 0.000 0.275 1094 L C -0.895 175.995 176.870 0.033 0.000 0.998 1094 L CA -0.896 54.032 54.840 0.146 0.000 0.820 1094 L CB 2.187 44.387 42.059 0.234 0.000 1.270 1094 L HN 0.340 nan 8.230 nan 0.000 0.415 1095 V N 1.671 121.559 119.914 -0.044 0.000 2.487 1095 V HA 0.502 4.606 4.120 -0.028 0.000 0.298 1095 V C -0.233 175.492 176.094 -0.615 0.000 1.028 1095 V CA -0.290 61.890 62.300 -0.201 0.000 0.860 1095 V CB 1.966 33.732 31.823 -0.095 0.000 0.991 1095 V HN 0.823 nan 8.190 nan 0.000 0.427 1096 S N 2.435 117.720 115.700 -0.693 0.000 2.513 1096 S HA 0.351 4.804 4.470 -0.028 0.000 0.299 1096 S C 0.881 175.045 174.600 -0.726 0.000 1.087 1096 S CA -0.443 57.112 58.200 -1.075 0.000 1.012 1096 S CB 1.883 64.590 63.200 -0.821 0.000 1.044 1096 S HN 0.911 nan 8.310 nan 0.000 0.485 1097 E N 1.824 121.390 120.200 -1.057 0.000 2.147 1097 E HA -0.202 4.131 4.350 -0.028 0.000 0.199 1097 E C 0.533 176.984 176.600 -0.248 0.000 1.005 1097 E CA 1.470 57.466 56.400 -0.673 0.000 0.810 1097 E CB 0.044 29.485 29.700 -0.431 0.000 0.736 1097 E HN 0.647 nan 8.360 nan 0.000 0.460 1098 E N 0.771 120.844 120.200 -0.210 0.000 2.489 1098 E HA 0.049 4.382 4.350 -0.028 0.000 0.193 1098 E C -0.423 176.131 176.600 -0.077 0.000 1.057 1098 E CA 0.351 56.687 56.400 -0.107 0.000 0.866 1098 E CB 0.180 29.851 29.700 -0.048 0.000 0.916 1098 E HN 0.308 nan 8.360 nan 0.000 0.500 1099 D N 0.449 120.809 120.400 -0.068 0.000 2.505 1099 D HA 0.062 4.685 4.640 -0.028 0.000 0.249 1099 D C 0.946 177.298 176.300 0.086 0.000 1.082 1099 D CA -0.364 53.632 54.000 -0.008 0.000 0.839 1099 D CB 2.331 43.123 40.800 -0.012 0.000 1.317 1099 D HN -0.207 nan 8.370 nan 0.000 0.497 1100 K N 2.254 122.688 120.400 0.056 0.000 2.063 1100 K HA -0.135 4.168 4.320 -0.028 0.000 0.208 1100 K C -0.054 176.668 176.600 0.202 0.000 1.048 1100 K CA 1.541 57.894 56.287 0.109 0.000 0.928 1100 K CB 0.032 32.554 32.500 0.037 0.000 0.713 1100 K HN 0.359 nan 8.250 nan 0.000 0.442 1101 N N -1.026 117.735 118.700 0.100 0.000 2.402 1101 N HA 0.505 5.228 4.740 -0.028 0.000 0.294 1101 N C -1.578 173.942 175.510 0.017 0.000 1.203 1101 N CA -0.353 52.729 53.050 0.054 0.000 0.838 1101 N CB 1.722 40.227 38.487 0.030 0.000 1.306 1101 N HN 0.212 nan 8.380 nan 0.000 0.510 1102 A N 0.877 123.690 122.820 -0.012 0.000 2.483 1102 A HA 0.244 4.547 4.320 -0.028 0.000 0.238 1102 A C -0.343 177.242 177.584 0.001 0.000 1.070 1102 A CA 0.053 52.078 52.037 -0.020 0.000 0.770 1102 A CB -0.153 18.831 19.000 -0.025 0.000 1.008 1102 A HN 0.490 nan 8.150 nan 0.000 0.497 1103 I N 3.326 123.902 120.570 0.010 0.000 2.315 1103 I HA 0.205 4.359 4.170 -0.028 0.000 0.291 1103 I C -0.097 176.036 176.117 0.026 0.000 1.006 1103 I CA -0.887 60.427 61.300 0.024 0.000 1.265 1103 I CB 0.824 38.850 38.000 0.043 0.000 1.387 1103 I HN 0.311 nan 8.210 nan 0.000 0.475 1104 I N 7.371 127.952 120.570 0.018 0.000 2.315 1104 I HA 0.239 4.392 4.170 -0.028 0.000 0.291 1104 I C 0.433 176.559 176.117 0.015 0.000 1.006 1104 I CA -0.698 60.612 61.300 0.017 0.000 1.265 1104 I CB 1.040 39.047 38.000 0.011 0.000 1.387 1104 I HN 0.079 nan 8.210 nan 0.000 0.475 1105 V N 6.556 126.480 119.914 0.017 0.000 2.740 1105 V HA 0.001 4.105 4.120 -0.028 0.000 0.303 1105 V C 0.951 177.047 176.094 0.002 0.000 1.054 1105 V CA -0.628 61.674 62.300 0.004 0.000 1.106 1105 V CB 0.494 32.319 31.823 0.004 0.000 0.957 1105 V HN 0.878 nan 8.190 nan 0.000 0.486 1106 E N 5.838 126.034 120.200 -0.006 0.000 2.415 1106 E HA 0.064 4.397 4.350 -0.028 0.000 0.262 1106 E C -2.007 174.601 176.600 0.013 0.000 1.038 1106 E CA -1.221 55.179 56.400 0.001 0.000 0.921 1106 E CB 0.353 30.050 29.700 -0.004 0.000 0.950 1106 E HN 0.370 nan 8.360 nan 0.000 0.438 1107 P HA -0.235 nan 4.420 nan 0.000 0.216 1107 P C 0.808 178.141 177.300 0.056 0.000 1.154 1107 P CA 1.446 64.565 63.100 0.032 0.000 0.865 1107 P CB 0.131 31.847 31.700 0.026 0.000 0.789 1108 E N -0.725 119.513 120.200 0.064 0.000 2.347 1108 E HA -0.115 4.218 4.350 -0.028 0.000 0.196 1108 E C 1.220 177.942 176.600 0.203 0.000 1.008 1108 E CA 0.858 57.326 56.400 0.114 0.000 0.852 1108 E CB -0.068 29.697 29.700 0.109 0.000 0.783 1108 E HN 0.396 nan 8.360 nan 0.000 0.505 1109 K N 0.147 120.605 120.400 0.096 0.000 2.374 1109 K HA 0.165 4.468 4.320 -0.028 0.000 0.202 1109 K C 0.392 177.023 176.600 0.052 0.000 1.040 1109 K CA -0.219 56.062 56.287 -0.010 0.000 1.085 1109 K CB 0.772 33.133 32.500 -0.231 0.000 0.873 1109 K HN -0.154 nan 8.250 nan 0.000 0.539 1110 R N 0.707 121.261 120.500 0.091 0.000 2.543 1110 R HA 0.194 4.517 4.340 -0.028 0.000 0.277 1110 R C 0.355 176.719 176.300 0.106 0.000 1.074 1110 R CA 0.068 56.212 56.100 0.073 0.000 1.076 1110 R CB 0.982 31.312 30.300 0.051 0.000 0.993 1110 R HN 0.164 nan 8.270 nan 0.000 0.459 1111 G N 0.439 109.290 108.800 0.085 0.000 3.211 1111 G HA2 0.187 4.131 3.960 -0.028 0.000 0.262 1111 G HA3 0.187 4.131 3.960 -0.028 0.000 0.262 1111 G C -0.331 174.568 174.900 -0.003 0.000 1.352 1111 G CA -0.632 44.511 45.100 0.071 0.000 1.004 1111 G HN 0.635 nan 8.290 nan 0.000 0.559 1112 K N -1.485 118.843 120.400 -0.121 0.000 2.426 1112 K HA 0.213 4.516 4.320 -0.028 0.000 0.193 1112 K C -0.565 175.856 176.600 -0.299 0.000 1.028 1112 K CA 0.224 56.349 56.287 -0.270 0.000 1.047 1112 K CB -0.010 32.232 32.500 -0.431 0.000 0.821 1112 K HN 0.318 nan 8.250 nan 0.000 0.513 1113 Y N 0.796 121.126 120.300 0.050 0.000 2.376 1113 Y HA 0.371 4.905 4.550 -0.027 0.000 0.325 1113 Y C -0.037 175.911 175.900 0.080 0.000 1.199 1113 Y CA -1.289 56.849 58.100 0.064 0.000 1.206 1113 Y CB 1.713 40.202 38.460 0.048 0.000 1.229 1113 Y HN -0.318 nan 8.280 nan 0.000 0.480 1114 V N 3.356 123.455 119.914 0.308 0.000 2.417 1114 V HA 0.477 4.580 4.120 -0.028 0.000 0.291 1114 V C -0.738 175.529 176.094 0.289 0.000 1.024 1114 V CA -0.845 61.604 62.300 0.248 0.000 0.861 1114 V CB 1.319 33.271 31.823 0.215 0.000 0.985 1114 V HN 0.496 nan 8.190 nan 0.000 0.436 1115 V N 3.764 123.828 119.914 0.251 0.000 2.487 1115 V HA 0.411 4.515 4.120 -0.028 0.000 0.298 1115 V C -0.231 176.061 176.094 0.330 0.000 1.028 1115 V CA -0.485 61.983 62.300 0.281 0.000 0.860 1115 V CB 1.758 33.722 31.823 0.234 0.000 0.991 1115 V HN 0.957 nan 8.190 nan 0.000 0.427 1116 C N 6.367 125.868 119.300 0.335 0.000 2.303 1116 C HA 0.882 5.325 4.460 -0.028 0.000 0.326 1116 C C -0.221 174.978 174.990 0.348 0.000 1.285 1116 C CA -0.768 58.410 59.018 0.266 0.000 1.675 1116 C CB -0.457 27.465 27.740 0.302 0.000 2.289 1116 C HN 0.843 nan 8.230 nan 0.000 0.512 1117 F N 0.429 120.465 119.950 0.144 0.000 2.645 1117 F HA 0.668 5.180 4.527 -0.025 0.000 0.310 1117 F C -1.052 174.747 175.800 -0.002 0.000 1.102 1117 F CA -1.137 56.949 58.000 0.143 0.000 0.952 1117 F CB 1.057 40.133 39.000 0.127 0.000 1.326 1117 F HN 0.320 nan 8.300 nan 0.000 0.456 1118 D N 3.072 123.640 120.400 0.279 0.000 2.460 1118 D HA 0.404 5.027 4.640 -0.028 0.000 0.232 1118 D C -1.922 174.562 176.300 0.307 0.000 1.079 1118 D CA -2.713 51.391 54.000 0.173 0.000 0.864 1118 D CB 1.927 42.884 40.800 0.262 0.000 1.048 1118 D HN 0.269 nan 8.370 nan 0.000 0.523 1119 P HA 0.001 nan 4.420 nan 0.000 0.221 1119 P C 0.109 177.545 177.300 0.227 0.000 1.150 1119 P CA 0.210 63.507 63.100 0.328 0.000 0.800 1119 P CB 0.763 32.647 31.700 0.306 0.000 0.787 1120 L N 0.150 121.484 121.223 0.186 0.000 2.491 1120 L HA 0.476 4.800 4.340 -0.028 0.000 0.267 1120 L C -1.544 175.418 176.870 0.153 0.000 0.971 1120 L CA -0.879 54.068 54.840 0.178 0.000 0.857 1120 L CB 1.875 44.011 42.059 0.128 0.000 1.226 1120 L HN -0.312 nan 8.230 nan 0.000 0.408 1121 D N 3.424 123.917 120.400 0.155 0.000 2.192 1121 D HA 0.708 5.331 4.640 -0.028 0.000 0.246 1121 D C 0.620 176.973 176.300 0.089 0.000 1.042 1121 D CA 0.685 54.751 54.000 0.110 0.000 0.847 1121 D CB 1.640 42.489 40.800 0.081 0.000 1.186 1121 D HN 0.878 nan 8.370 nan 0.000 0.461 1122 G N 2.364 111.207 108.800 0.073 0.000 2.237 1122 G HA2 -0.245 3.699 3.960 -0.028 0.000 0.153 1122 G HA3 -0.245 3.699 3.960 -0.028 0.000 0.153 1122 G C 1.046 175.987 174.900 0.068 0.000 1.039 1122 G CA 0.331 45.465 45.100 0.057 0.000 0.719 1122 G HN 0.509 nan 8.290 nan 0.000 0.491 1123 S N 0.244 115.989 115.700 0.075 0.000 2.389 1123 S HA -0.232 4.222 4.470 -0.028 0.000 0.231 1123 S C 2.810 177.447 174.600 0.061 0.000 1.052 1123 S CA 2.938 61.181 58.200 0.072 0.000 1.053 1123 S CB -0.215 63.027 63.200 0.070 0.000 0.886 1123 S HN 1.800 nan 8.310 nan 0.000 0.456 1124 S N 0.661 116.398 115.700 0.062 0.000 2.447 1124 S HA 0.068 4.522 4.470 -0.028 0.000 0.233 1124 S C 1.427 176.047 174.600 0.034 0.000 1.006 1124 S CA 0.831 59.063 58.200 0.054 0.000 0.957 1124 S CB -0.375 62.871 63.200 0.076 0.000 0.773 1124 S HN 0.503 nan 8.310 nan 0.000 0.507 1125 N N 0.893 119.612 118.700 0.031 0.000 2.336 1125 N HA 0.354 5.077 4.740 -0.028 0.000 0.189 1125 N C 1.213 176.726 175.510 0.003 0.000 1.113 1125 N CA 0.108 53.165 53.050 0.013 0.000 0.858 1125 N CB -0.184 38.312 38.487 0.015 0.000 0.970 1125 N HN 0.484 nan 8.380 nan 0.000 0.471 1126 I N 0.759 121.339 120.570 0.018 0.000 2.113 1126 I HA -0.254 3.899 4.170 -0.028 0.000 0.238 1126 I C 1.250 177.293 176.117 -0.123 0.000 1.070 1126 I CA 1.315 62.634 61.300 0.032 0.000 1.332 1126 I CB -0.058 38.003 38.000 0.101 0.000 1.044 1126 I HN -0.066 nan 8.210 nan 0.000 0.402 1127 D N 0.174 120.446 120.400 -0.213 0.000 2.312 1127 D HA -0.101 4.523 4.640 -0.028 0.000 0.211 1127 D C 1.773 177.844 176.300 -0.382 0.000 0.964 1127 D CA 0.914 54.625 54.000 -0.481 0.000 0.877 1127 D CB -0.246 40.394 40.800 -0.267 0.000 0.924 1127 D HN 0.514 nan 8.370 nan 0.000 0.515 1128 C N -0.844 118.341 119.300 -0.192 0.000 2.693 1128 C HA 0.431 4.874 4.460 -0.028 0.000 0.286 1128 C C 1.016 175.955 174.990 -0.085 0.000 1.277 1128 C CA -0.670 58.274 59.018 -0.123 0.000 1.705 1128 C CB -1.264 26.439 27.740 -0.063 0.000 1.879 1128 C HN 0.169 nan 8.230 nan 0.000 0.607 1129 L N -0.419 120.747 121.223 -0.095 0.000 4.496 1129 L HA -0.150 4.173 4.340 -0.028 0.000 0.419 1129 L C 0.485 177.363 176.870 0.013 0.000 1.139 1129 L CA 0.601 55.430 54.840 -0.017 0.000 0.975 1129 L CB -2.261 39.797 42.059 -0.002 0.000 2.099 1129 L HN 0.453 nan 8.230 nan 0.000 0.818 1130 V N -0.595 119.322 119.914 0.005 0.000 3.003 1130 V HA 0.301 4.405 4.120 -0.028 0.000 0.305 1130 V C 1.364 177.479 176.094 0.035 0.000 1.078 1130 V CA -0.141 62.168 62.300 0.015 0.000 1.083 1130 V CB 1.630 33.454 31.823 0.002 0.000 1.039 1130 V HN 0.325 nan 8.190 nan 0.000 0.481 1131 S N 3.979 119.698 115.700 0.031 0.000 2.558 1131 S HA 0.262 4.716 4.470 -0.028 0.000 0.293 1131 S C -0.069 174.563 174.600 0.054 0.000 1.292 1131 S CA 0.102 58.330 58.200 0.047 0.000 1.063 1131 S CB -0.248 62.958 63.200 0.009 0.000 0.831 1131 S HN 0.583 nan 8.310 nan 0.000 0.499 1132 I N -1.062 119.578 120.570 0.116 0.000 3.343 1132 I HA 1.053 5.206 4.170 -0.028 0.000 0.315 1132 I C 0.194 176.427 176.117 0.194 0.000 1.153 1132 I CA -1.206 60.184 61.300 0.150 0.000 0.952 1132 I CB 1.954 40.066 38.000 0.186 0.000 1.287 1132 I HN 0.675 nan 8.210 nan 0.000 0.472 1133 G N 0.140 109.068 108.800 0.214 0.000 2.554 1133 G HA2 0.600 4.543 3.960 -0.028 0.000 0.306 1133 G HA3 0.600 4.543 3.960 -0.028 0.000 0.306 1133 G C -1.755 173.270 174.900 0.208 0.000 1.320 1133 G CA -0.479 44.652 45.100 0.052 0.000 0.800 1133 G HN 0.688 nan 8.290 nan 0.000 0.481 1134 T N 0.479 115.111 114.554 0.131 0.000 2.886 1134 T HA 0.647 4.980 4.350 -0.028 0.000 0.292 1134 T C -0.553 174.299 174.700 0.254 0.000 1.012 1134 T CA -0.160 62.086 62.100 0.243 0.000 0.982 1134 T CB 1.275 70.311 68.868 0.281 0.000 1.018 1134 T HN 0.469 nan 8.240 nan 0.000 0.451 1135 I N 3.894 124.634 120.570 0.283 0.000 2.569 1135 I HA 0.729 4.883 4.170 -0.028 0.000 0.296 1135 I C -0.984 175.340 176.117 0.345 0.000 1.028 1135 I CA -1.181 60.260 61.300 0.235 0.000 1.082 1135 I CB 1.684 39.772 38.000 0.147 0.000 1.264 1135 I HN 0.655 nan 8.210 nan 0.000 0.429 1136 F N 2.362 122.402 119.950 0.151 0.000 2.631 1136 F HA 0.934 5.444 4.527 -0.028 0.000 0.308 1136 F C -0.463 175.375 175.800 0.063 0.000 1.097 1136 F CA -0.950 57.136 58.000 0.143 0.000 0.952 1136 F CB 1.595 40.638 39.000 0.072 0.000 1.307 1136 F HN 0.429 nan 8.300 nan 0.000 0.450 1137 G N 2.124 111.043 108.800 0.199 0.000 2.662 1137 G HA2 0.695 4.638 3.960 -0.028 0.000 0.302 1137 G HA3 0.695 4.638 3.960 -0.028 0.000 0.302 1137 G C -1.940 172.952 174.900 -0.012 0.000 1.389 1137 G CA -0.948 44.129 45.100 -0.039 0.000 0.998 1137 G HN 0.791 nan 8.290 nan 0.000 0.502 1138 I N 1.315 121.755 120.570 -0.216 0.000 2.465 1138 I HA 0.429 4.582 4.170 -0.028 0.000 0.291 1138 I C -1.009 174.914 176.117 -0.324 0.000 1.014 1138 I CA -0.814 60.402 61.300 -0.139 0.000 1.093 1138 I CB 1.938 39.862 38.000 -0.128 0.000 1.267 1138 I HN 0.403 nan 8.210 nan 0.000 0.431 1139 Y N 3.889 124.252 120.300 0.105 0.000 2.587 1139 Y HA 0.589 5.123 4.550 -0.027 0.000 0.337 1139 Y C 0.183 176.229 175.900 0.242 0.000 1.065 1139 Y CA -0.848 57.322 58.100 0.117 0.000 1.126 1139 Y CB 1.515 40.016 38.460 0.068 0.000 1.279 1139 Y HN 0.413 nan 8.280 nan 0.000 0.489 1140 R N 1.629 122.332 120.500 0.338 0.000 2.404 1140 R HA 0.251 4.574 4.340 -0.028 0.000 0.291 1140 R C -0.485 175.872 176.300 0.095 0.000 1.025 1140 R CA -0.830 55.360 56.100 0.150 0.000 0.991 1140 R CB 0.806 31.145 30.300 0.064 0.000 1.053 1140 R HN 0.638 nan 8.270 nan 0.000 0.479 1141 K N 2.844 123.252 120.400 0.014 0.000 2.412 1141 K HA -0.034 4.269 4.320 -0.028 0.000 0.281 1141 K C 0.488 177.085 176.600 -0.005 0.000 1.027 1141 K CA -0.051 56.240 56.287 0.008 0.000 0.989 1141 K CB 0.554 33.049 32.500 -0.009 0.000 0.935 1141 K HN 0.704 nan 8.250 nan 0.000 0.475 1142 N N 1.354 120.054 118.700 -0.000 0.000 2.415 1142 N HA -0.064 4.659 4.740 -0.028 0.000 0.174 1142 N C -0.217 175.289 175.510 -0.008 0.000 1.048 1142 N CA -0.061 52.988 53.050 -0.001 0.000 0.895 1142 N CB 0.137 38.621 38.487 -0.005 0.000 1.036 1142 N HN 0.434 nan 8.380 nan 0.000 0.449 1143 S N -0.168 115.525 115.700 -0.012 0.000 2.704 1143 S HA 0.432 4.885 4.470 -0.028 0.000 0.305 1143 S C 0.942 175.535 174.600 -0.012 0.000 1.107 1143 S CA -0.386 57.807 58.200 -0.011 0.000 0.993 1143 S CB 1.372 64.564 63.200 -0.013 0.000 1.110 1143 S HN 0.267 nan 8.310 nan 0.000 0.534 1144 T N -2.271 112.277 114.554 -0.010 0.000 3.065 1144 T HA 0.129 4.462 4.350 -0.028 0.000 0.252 1144 T C 0.026 174.721 174.700 -0.007 0.000 1.099 1144 T CA -0.039 62.056 62.100 -0.009 0.000 1.063 1144 T CB -0.507 68.356 68.868 -0.008 0.000 0.948 1144 T HN 0.532 nan 8.240 nan 0.000 0.506 1145 D N 2.470 122.866 120.400 -0.008 0.000 2.378 1145 D HA 0.090 4.713 4.640 -0.028 0.000 0.238 1145 D C 0.503 176.800 176.300 -0.005 0.000 1.180 1145 D CA 0.050 54.046 54.000 -0.007 0.000 0.895 1145 D CB 0.484 41.279 40.800 -0.008 0.000 1.192 1145 D HN 0.166 nan 8.370 nan 0.000 0.438 1146 E N 1.590 121.788 120.200 -0.004 0.000 2.502 1146 E HA 0.020 4.353 4.350 -0.028 0.000 0.261 1146 E C -1.941 174.658 176.600 -0.002 0.000 0.974 1146 E CA -0.936 55.463 56.400 -0.001 0.000 0.936 1146 E CB 0.039 29.739 29.700 -0.000 0.000 0.926 1146 E HN 0.200 nan 8.360 nan 0.000 0.459 1147 P HA -0.037 nan 4.420 nan 0.000 0.267 1147 P C -0.496 176.804 177.300 -0.000 0.000 1.200 1147 P CA 0.166 63.267 63.100 0.001 0.000 0.772 1147 P CB 0.718 32.423 31.700 0.008 0.000 0.855 1148 S N -0.513 115.185 115.700 -0.004 0.000 2.643 1148 S HA 0.171 4.625 4.470 -0.028 0.000 0.270 1148 S C 0.982 175.574 174.600 -0.015 0.000 1.166 1148 S CA -0.704 57.491 58.200 -0.008 0.000 0.815 1148 S CB 1.317 64.511 63.200 -0.010 0.000 1.139 1148 S HN 0.427 nan 8.310 nan 0.000 0.472 1149 E N 1.046 121.235 120.200 -0.018 0.000 2.147 1149 E HA -0.252 4.081 4.350 -0.028 0.000 0.199 1149 E C 1.790 178.364 176.600 -0.044 0.000 1.005 1149 E CA 1.693 58.075 56.400 -0.030 0.000 0.810 1149 E CB -0.168 29.515 29.700 -0.029 0.000 0.736 1149 E HN 0.619 nan 8.360 nan 0.000 0.460 1150 K N 0.398 120.775 120.400 -0.039 0.000 2.283 1150 K HA -0.171 4.133 4.320 -0.028 0.000 0.202 1150 K C 1.004 177.565 176.600 -0.065 0.000 1.048 1150 K CA 1.466 57.723 56.287 -0.051 0.000 0.948 1150 K CB 0.042 32.519 32.500 -0.038 0.000 0.742 1150 K HN 0.107 nan 8.250 nan 0.000 0.458 1151 D N 0.801 121.169 120.400 -0.053 0.000 2.309 1151 D HA -0.110 4.513 4.640 -0.028 0.000 0.212 1151 D C 1.385 177.621 176.300 -0.108 0.000 0.968 1151 D CA 1.044 55.007 54.000 -0.061 0.000 0.882 1151 D CB 0.223 41.009 40.800 -0.024 0.000 0.918 1151 D HN 0.428 nan 8.370 nan 0.000 0.503 1152 A N -0.006 122.748 122.820 -0.110 0.000 2.238 1152 A HA 0.117 4.420 4.320 -0.028 0.000 0.210 1152 A C 1.478 178.917 177.584 -0.242 0.000 1.179 1152 A CA -0.116 51.826 52.037 -0.159 0.000 0.827 1152 A CB -0.033 18.922 19.000 -0.075 0.000 0.856 1152 A HN 0.141 nan 8.150 nan 0.000 0.488 1153 L N 1.326 122.434 121.223 -0.192 0.000 2.934 1153 L HA 0.158 4.482 4.340 -0.028 0.000 0.233 1153 L C -0.125 176.625 176.870 -0.199 0.000 1.358 1153 L CA -0.091 54.649 54.840 -0.167 0.000 1.233 1153 L CB -0.344 41.651 42.059 -0.106 0.000 1.594 1153 L HN 0.451 nan 8.230 nan 0.000 0.439 1154 Q N 1.517 121.112 119.800 -0.341 0.000 2.226 1154 Q HA 0.440 4.763 4.340 -0.028 0.000 0.256 1154 Q C -2.243 173.638 176.000 -0.198 0.000 0.962 1154 Q CA -2.051 53.563 55.803 -0.315 0.000 0.887 1154 Q CB 1.777 30.195 28.738 -0.533 0.000 1.282 1154 Q HN 0.061 nan 8.270 nan 0.000 0.449 1155 P HA -0.029 nan 4.420 nan 0.000 0.272 1155 P C 0.315 177.713 177.300 0.164 0.000 1.223 1155 P CA 0.113 63.234 63.100 0.035 0.000 0.784 1155 P CB 0.644 32.368 31.700 0.041 0.000 0.923 1156 G N 2.970 111.881 108.800 0.184 0.000 2.479 1156 G HA2 -0.263 3.680 3.960 -0.028 0.000 0.220 1156 G HA3 -0.263 3.680 3.960 -0.028 0.000 0.220 1156 G C 1.432 176.462 174.900 0.216 0.000 1.115 1156 G CA 0.260 45.507 45.100 0.245 0.000 0.757 1156 G HN 0.673 nan 8.290 nan 0.000 0.560 1157 R N 0.081 120.690 120.500 0.183 0.000 2.241 1157 R HA 0.010 4.333 4.340 -0.028 0.000 0.224 1157 R C 1.233 177.643 176.300 0.183 0.000 1.101 1157 R CA 1.310 57.515 56.100 0.174 0.000 0.995 1157 R CB -0.380 29.991 30.300 0.119 0.000 0.870 1157 R HN 0.137 nan 8.270 nan 0.000 0.463 1158 N N 0.772 119.610 118.700 0.230 0.000 2.398 1158 N HA 0.128 4.851 4.740 -0.028 0.000 0.188 1158 N C 0.108 175.726 175.510 0.179 0.000 1.122 1158 N CA 0.132 53.330 53.050 0.246 0.000 0.866 1158 N CB 0.095 38.756 38.487 0.291 0.000 0.970 1158 N HN 0.156 nan 8.380 nan 0.000 0.462 1159 L N 0.799 121.964 121.223 -0.096 0.000 2.514 1159 L HA -0.036 4.287 4.340 -0.028 0.000 0.280 1159 L C 1.601 178.231 176.870 -0.400 0.000 1.223 1159 L CA -0.156 54.293 54.840 -0.652 0.000 0.864 1159 L CB 0.706 42.135 42.059 -1.051 0.000 1.118 1159 L HN 0.025 nan 8.230 nan 0.000 0.494 1160 V N -0.535 119.171 119.914 -0.348 0.000 3.621 1160 V HA 0.572 4.675 4.120 -0.028 0.000 0.263 1160 V C 0.499 176.494 176.094 -0.167 0.000 1.272 1160 V CA 0.592 62.816 62.300 -0.128 0.000 1.080 1160 V CB 0.137 31.980 31.823 0.034 0.000 0.816 1160 V HN 0.738 nan 8.190 nan 0.000 0.451 1161 A N -0.516 122.097 122.820 -0.345 0.000 2.594 1161 A HA 0.967 5.270 4.320 -0.028 0.000 0.296 1161 A C -0.723 176.678 177.584 -0.305 0.000 1.061 1161 A CA 0.077 51.996 52.037 -0.196 0.000 0.689 1161 A CB 1.363 20.323 19.000 -0.066 0.000 1.280 1161 A HN 1.746 nan 8.150 nan 0.000 0.406 1162 A N -0.029 122.672 122.820 -0.198 0.000 2.610 1162 A HA 1.064 5.367 4.320 -0.028 0.000 0.291 1162 A C -0.015 177.252 177.584 -0.529 0.000 1.086 1162 A CA 0.158 51.969 52.037 -0.376 0.000 0.677 1162 A CB 0.977 19.777 19.000 -0.333 0.000 1.278 1162 A HN 2.821 nan 8.150 nan 0.000 0.414 1163 G N -1.276 106.857 108.800 -1.110 0.000 2.360 1163 G HA2 0.660 4.603 3.960 -0.028 0.000 0.276 1163 G HA3 0.660 4.603 3.960 -0.028 0.000 0.276 1163 G C -1.430 172.977 174.900 -0.822 0.000 1.256 1163 G CA 0.441 45.052 45.100 -0.815 0.000 0.890 1163 G HN 2.257 nan 8.290 nan 0.000 0.486 1164 Y N -2.516 117.565 120.300 -0.365 0.000 2.656 1164 Y HA 0.854 5.387 4.550 -0.029 0.000 0.334 1164 Y C -0.232 175.651 175.900 -0.028 0.000 1.179 1164 Y CA -1.261 56.764 58.100 -0.126 0.000 1.050 1164 Y CB 1.156 39.530 38.460 -0.143 0.000 1.308 1164 Y HN 1.414 nan 8.280 nan 0.000 0.456 1165 A N 1.839 124.715 122.820 0.093 0.000 2.330 1165 A HA 0.725 5.028 4.320 -0.028 0.000 0.327 1165 A C -1.933 175.466 177.584 -0.308 0.000 1.155 1165 A CA -0.693 51.239 52.037 -0.176 0.000 0.803 1165 A CB 1.326 20.161 19.000 -0.276 0.000 1.208 1165 A HN 0.826 nan 8.150 nan 0.000 0.477 1166 L N 2.819 123.851 121.223 -0.319 0.000 2.298 1166 L HA 0.585 4.908 4.340 -0.028 0.000 0.284 1166 L C -1.588 175.059 176.870 -0.372 0.000 1.013 1166 L CA -0.355 54.306 54.840 -0.299 0.000 0.824 1166 L CB 0.613 42.567 42.059 -0.176 0.000 1.221 1166 L HN 0.569 nan 8.230 nan 0.000 0.418 1167 Y N 5.286 125.616 120.300 0.050 0.000 2.821 1167 Y HA 0.629 5.160 4.550 -0.031 0.000 0.331 1167 Y C 0.972 176.889 175.900 0.027 0.000 1.251 1167 Y CA -0.173 57.954 58.100 0.046 0.000 1.494 1167 Y CB 0.208 38.700 38.460 0.053 0.000 1.493 1167 Y HN 0.700 nan 8.280 nan 0.000 0.496 1168 G N 0.238 109.091 108.800 0.088 0.000 3.099 1168 G HA2 0.198 4.141 3.960 -0.028 0.000 0.151 1168 G HA3 0.198 4.141 3.960 -0.028 0.000 0.151 1168 G C 0.906 175.841 174.900 0.058 0.000 1.265 1168 G CA -0.115 45.018 45.100 0.055 0.000 0.981 1168 G HN 0.369 nan 8.290 nan 0.000 0.601 1169 S N -0.883 114.841 115.700 0.040 0.000 2.447 1169 S HA 0.379 4.832 4.470 -0.028 0.000 0.233 1169 S C 0.946 175.568 174.600 0.038 0.000 1.006 1169 S CA 1.074 59.297 58.200 0.039 0.000 0.957 1169 S CB -0.248 62.973 63.200 0.035 0.000 0.773 1169 S HN 1.271 nan 8.310 nan 0.000 0.507 1170 A N 0.309 123.150 122.820 0.035 0.000 2.479 1170 A HA 0.713 5.016 4.320 -0.028 0.000 0.296 1170 A C -0.466 177.144 177.584 0.043 0.000 1.121 1170 A CA -0.719 51.338 52.037 0.032 0.000 0.743 1170 A CB 1.190 20.203 19.000 0.022 0.000 1.323 1170 A HN 0.155 nan 8.150 nan 0.000 0.415 1171 T N 1.498 116.088 114.554 0.060 0.000 2.767 1171 T HA 0.541 4.874 4.350 -0.028 0.000 0.288 1171 T C -0.430 174.332 174.700 0.104 0.000 0.963 1171 T CA 0.211 62.368 62.100 0.097 0.000 1.019 1171 T CB 0.438 69.418 68.868 0.187 0.000 0.923 1171 T HN 0.578 nan 8.240 nan 0.000 0.468 1172 M N 4.509 124.133 119.600 0.040 0.000 2.393 1172 M HA 0.549 5.013 4.480 -0.028 0.000 0.316 1172 M C -1.714 174.576 176.300 -0.016 0.000 1.087 1172 M CA -1.015 54.303 55.300 0.030 0.000 0.937 1172 M CB 1.485 34.002 32.600 -0.138 0.000 1.668 1172 M HN 0.351 nan 8.290 nan 0.000 0.438 1173 L N 6.702 127.935 121.223 0.017 0.000 2.280 1173 L HA 0.675 4.998 4.340 -0.028 0.000 0.287 1173 L C -1.368 175.424 176.870 -0.130 0.000 1.023 1173 L CA -0.672 54.060 54.840 -0.179 0.000 0.819 1173 L CB 1.246 43.007 42.059 -0.497 0.000 1.212 1173 L HN 0.713 nan 8.230 nan 0.000 0.420 1174 V N 4.037 123.720 119.914 -0.386 0.000 2.398 1174 V HA 0.594 4.698 4.120 -0.028 0.000 0.286 1174 V C -0.629 175.286 176.094 -0.298 0.000 1.026 1174 V CA -0.887 61.171 62.300 -0.403 0.000 0.868 1174 V CB 1.762 33.140 31.823 -0.742 0.000 0.982 1174 V HN 0.647 nan 8.190 nan 0.000 0.443 1175 L N 4.862 126.051 121.223 -0.057 0.000 2.376 1175 L HA 0.962 5.285 4.340 -0.028 0.000 0.275 1175 L C 0.053 176.959 176.870 0.061 0.000 0.987 1175 L CA -0.431 54.433 54.840 0.040 0.000 0.828 1175 L CB 1.394 43.531 42.059 0.131 0.000 1.249 1175 L HN 1.053 nan 8.230 nan 0.000 0.409 1176 A N 6.324 129.192 122.820 0.079 0.000 2.330 1176 A HA 0.928 5.232 4.320 -0.028 0.000 0.327 1176 A C -0.631 177.127 177.584 0.290 0.000 1.155 1176 A CA -0.535 51.592 52.037 0.150 0.000 0.803 1176 A CB 0.995 20.083 19.000 0.146 0.000 1.208 1176 A HN 0.818 nan 8.150 nan 0.000 0.477 1177 M N 1.296 121.045 119.600 0.249 0.000 2.948 1177 M HA 0.285 4.748 4.480 -0.028 0.000 0.278 1177 M C 1.080 177.506 176.300 0.211 0.000 1.293 1177 M CA -0.663 54.799 55.300 0.270 0.000 0.777 1177 M CB 1.511 34.220 32.600 0.182 0.000 1.713 1177 M HN 0.447 nan 8.290 nan 0.000 0.444 1178 V N 0.962 120.989 119.914 0.188 0.000 2.380 1178 V HA -0.245 3.859 4.120 -0.028 0.000 0.251 1178 V C 0.753 176.880 176.094 0.055 0.000 1.063 1178 V CA 2.449 64.824 62.300 0.124 0.000 1.055 1178 V CB -0.525 31.364 31.823 0.110 0.000 0.657 1178 V HN 0.822 nan 8.190 nan 0.000 0.455 1179 N N 0.077 118.817 118.700 0.066 0.000 2.376 1179 N HA 0.498 5.221 4.740 -0.028 0.000 0.249 1179 N C 0.026 175.563 175.510 0.044 0.000 1.140 1179 N CA 0.467 53.542 53.050 0.043 0.000 0.870 1179 N CB 0.839 39.353 38.487 0.045 0.000 1.124 1179 N HN 0.680 nan 8.380 nan 0.000 0.505 1180 G N -0.641 108.178 108.800 0.031 0.000 2.334 1180 G HA2 -0.025 3.918 3.960 -0.028 0.000 0.315 1180 G HA3 -0.025 3.918 3.960 -0.028 0.000 0.315 1180 G C -1.706 173.216 174.900 0.036 0.000 1.284 1180 G CA -0.980 44.130 45.100 0.016 0.000 0.985 1180 G HN -0.024 nan 8.290 nan 0.000 0.504 1181 V N 1.615 121.533 119.914 0.006 0.000 2.495 1181 V HA 0.711 4.814 4.120 -0.028 0.000 0.298 1181 V C -0.312 175.746 176.094 -0.061 0.000 1.031 1181 V CA -1.009 61.282 62.300 -0.016 0.000 0.871 1181 V CB 1.696 33.497 31.823 -0.037 0.000 0.988 1181 V HN 0.725 nan 8.190 nan 0.000 0.432 1182 N N 1.832 120.465 118.700 -0.111 0.000 2.242 1182 N HA 0.531 5.255 4.740 -0.028 0.000 0.292 1182 N C -1.514 173.759 175.510 -0.394 0.000 1.125 1182 N CA -0.366 52.480 53.050 -0.341 0.000 0.783 1182 N CB 2.316 40.432 38.487 -0.618 0.000 1.558 1182 N HN 0.561 nan 8.380 nan 0.000 0.472 1183 C N 1.715 120.693 119.300 -0.537 0.000 2.351 1183 C HA 0.631 5.075 4.460 -0.028 0.000 0.326 1183 C C -0.647 173.995 174.990 -0.579 0.000 1.272 1183 C CA -0.692 58.108 59.018 -0.363 0.000 1.650 1183 C CB -1.097 26.549 27.740 -0.157 0.000 2.257 1183 C HN 0.543 nan 8.230 nan 0.000 0.505 1184 F N 2.790 122.687 119.950 -0.088 0.000 2.493 1184 F HA 0.584 5.092 4.527 -0.031 0.000 0.329 1184 F C 0.178 176.056 175.800 0.131 0.000 1.126 1184 F CA -0.716 57.289 58.000 0.007 0.000 0.937 1184 F CB 1.247 40.259 39.000 0.021 0.000 1.146 1184 F HN 0.441 nan 8.300 nan 0.000 0.442 1185 M N 4.304 124.048 119.600 0.241 0.000 2.300 1185 M HA 0.491 4.955 4.480 -0.028 0.000 0.348 1185 M C -1.175 175.169 176.300 0.073 0.000 1.151 1185 M CA -1.184 54.210 55.300 0.158 0.000 1.046 1185 M CB 1.171 33.803 32.600 0.053 0.000 1.647 1185 M HN 0.622 nan 8.290 nan 0.000 0.451 1186 L N 5.052 126.215 121.223 -0.099 0.000 2.477 1186 L HA 0.172 4.496 4.340 -0.028 0.000 0.272 1186 L C -0.516 176.207 176.870 -0.245 0.000 1.157 1186 L CA 0.648 55.177 54.840 -0.518 0.000 0.889 1186 L CB 0.266 41.952 42.059 -0.622 0.000 1.158 1186 L HN 0.603 nan 8.230 nan 0.000 0.473 1187 D N 7.359 127.624 120.400 -0.225 0.000 2.365 1187 D HA 0.222 4.845 4.640 -0.028 0.000 0.237 1187 D C -1.884 174.335 176.300 -0.136 0.000 1.190 1187 D CA -1.974 51.950 54.000 -0.126 0.000 0.867 1187 D CB 1.654 42.404 40.800 -0.082 0.000 1.050 1187 D HN 0.386 nan 8.370 nan 0.000 0.491 1188 P HA -0.036 nan 4.420 nan 0.000 0.222 1188 P C 0.852 178.111 177.300 -0.069 0.000 1.147 1188 P CA 0.690 63.736 63.100 -0.089 0.000 0.790 1188 P CB 0.285 31.951 31.700 -0.058 0.000 0.780 1189 A N -0.093 122.693 122.820 -0.056 0.000 2.016 1189 A HA -0.036 4.268 4.320 -0.028 0.000 0.217 1189 A C 1.923 179.482 177.584 -0.043 0.000 1.162 1189 A CA 1.170 53.181 52.037 -0.042 0.000 0.662 1189 A CB -1.096 17.886 19.000 -0.031 0.000 0.812 1189 A HN 0.353 nan 8.150 nan 0.000 0.450 1190 I N -5.518 115.020 120.570 -0.053 0.000 4.154 1190 I HA 0.478 4.631 4.170 -0.028 0.000 0.334 1190 I C 1.071 177.151 176.117 -0.062 0.000 1.371 1190 I CA 0.353 61.626 61.300 -0.046 0.000 1.110 1190 I CB 0.053 38.033 38.000 -0.033 0.000 1.085 1190 I HN 0.276 nan 8.210 nan 0.000 0.398 1191 G N 2.203 110.945 108.800 -0.097 0.000 2.314 1191 G HA2 -0.200 3.744 3.960 -0.028 0.000 0.292 1191 G HA3 -0.200 3.744 3.960 -0.028 0.000 0.292 1191 G C -0.370 174.452 174.900 -0.130 0.000 1.059 1191 G CA 0.171 45.196 45.100 -0.125 0.000 0.982 1191 G HN 0.566 nan 8.290 nan 0.000 0.505 1192 E N -1.081 119.019 120.200 -0.168 0.000 2.293 1192 E HA 0.527 4.860 4.350 -0.028 0.000 0.270 1192 E C -0.596 175.884 176.600 -0.199 0.000 0.879 1192 E CA -0.909 55.431 56.400 -0.100 0.000 0.756 1192 E CB 1.295 30.986 29.700 -0.014 0.000 1.208 1192 E HN 0.102 nan 8.360 nan 0.000 0.428 1193 F N 2.165 122.118 119.950 0.005 0.000 2.421 1193 F HA 0.248 4.771 4.527 -0.006 0.000 0.358 1193 F C 0.516 176.390 175.800 0.123 0.000 1.115 1193 F CA -0.420 57.607 58.000 0.045 0.000 1.160 1193 F CB 0.576 39.565 39.000 -0.019 0.000 1.123 1193 F HN 0.142 nan 8.300 nan 0.000 0.508 1194 I N 5.013 125.751 120.570 0.279 0.000 2.377 1194 I HA 0.179 4.332 4.170 -0.028 0.000 0.293 1194 I C -0.204 176.055 176.117 0.236 0.000 0.987 1194 I CA -1.106 60.331 61.300 0.227 0.000 1.185 1194 I CB 1.343 39.401 38.000 0.097 0.000 1.341 1194 I HN 0.352 nan 8.210 nan 0.000 0.455 1195 L N 8.106 129.446 121.223 0.195 0.000 2.559 1195 L HA 0.046 4.370 4.340 -0.028 0.000 0.274 1195 L C 0.827 177.592 176.870 -0.176 0.000 1.205 1195 L CA 0.721 55.418 54.840 -0.239 0.000 0.907 1195 L CB 0.615 42.535 42.059 -0.231 0.000 1.153 1195 L HN 0.544 nan 8.230 nan 0.000 0.490 1196 V N -0.485 119.280 119.914 -0.248 0.000 3.562 1196 V HA 0.494 4.598 4.120 -0.028 0.000 0.270 1196 V C -0.191 175.813 176.094 -0.149 0.000 1.418 1196 V CA 0.041 62.261 62.300 -0.134 0.000 1.033 1196 V CB 0.380 32.162 31.823 -0.068 0.000 0.820 1196 V HN 0.732 nan 8.190 nan 0.000 0.441 1197 D N 1.658 121.916 120.400 -0.236 0.000 2.736 1197 D HA 0.405 5.028 4.640 -0.028 0.000 0.243 1197 D C -0.992 175.164 176.300 -0.240 0.000 1.304 1197 D CA -0.132 53.761 54.000 -0.178 0.000 0.934 1197 D CB 2.812 43.537 40.800 -0.125 0.000 1.382 1197 D HN 0.323 nan 8.370 nan 0.000 0.571 1198 R N 1.670 122.077 120.500 -0.156 0.000 2.407 1198 R HA 0.237 4.561 4.340 -0.028 0.000 0.303 1198 R C -0.463 175.797 176.300 -0.065 0.000 0.981 1198 R CA -0.176 55.845 56.100 -0.131 0.000 0.905 1198 R CB 0.727 30.997 30.300 -0.049 0.000 1.099 1198 R HN 0.231 nan 8.270 nan 0.000 0.459 1199 D N 2.398 122.773 120.400 -0.041 0.000 2.737 1199 D HA -0.140 4.483 4.640 -0.028 0.000 0.238 1199 D C -0.984 175.300 176.300 -0.027 0.000 1.157 1199 D CA 0.585 54.581 54.000 -0.006 0.000 0.694 1199 D CB -0.492 40.320 40.800 0.021 0.000 1.021 1199 D HN 0.232 nan 8.370 nan 0.000 0.420 1200 V N 2.210 122.096 119.914 -0.048 0.000 2.585 1200 V HA 0.133 4.236 4.120 -0.028 0.000 0.296 1200 V C 0.949 177.025 176.094 -0.030 0.000 1.035 1200 V CA 0.369 62.642 62.300 -0.044 0.000 1.084 1200 V CB 1.327 33.115 31.823 -0.057 0.000 0.953 1200 V HN 0.105 nan 8.190 nan 0.000 0.483 1201 K N 4.717 125.103 120.400 -0.023 0.000 2.378 1201 K HA 0.530 4.834 4.320 -0.028 0.000 0.252 1201 K C -0.545 176.049 176.600 -0.010 0.000 0.931 1201 K CA -0.722 55.555 56.287 -0.016 0.000 0.794 1201 K CB 2.939 35.432 32.500 -0.011 0.000 1.181 1201 K HN 0.595 nan 8.250 nan 0.000 0.425 1202 I N 2.569 123.135 120.570 -0.006 0.000 2.638 1202 I HA 0.037 4.191 4.170 -0.028 0.000 0.286 1202 I C 0.793 176.918 176.117 0.012 0.000 1.088 1202 I CA -0.236 61.067 61.300 0.004 0.000 1.397 1202 I CB 0.647 38.653 38.000 0.010 0.000 1.414 1202 I HN 0.504 nan 8.210 nan 0.000 0.566 1203 K N 7.078 127.490 120.400 0.019 0.000 2.414 1203 K HA 0.055 4.359 4.320 -0.028 0.000 0.272 1203 K C 0.221 176.839 176.600 0.029 0.000 0.993 1203 K CA -0.391 55.908 56.287 0.020 0.000 0.964 1203 K CB 0.797 33.308 32.500 0.018 0.000 0.925 1203 K HN 0.543 nan 8.250 nan 0.000 0.487 1204 K N 1.290 121.706 120.400 0.027 0.000 2.148 1204 K HA -0.082 4.221 4.320 -0.028 0.000 0.204 1204 K C 0.341 176.973 176.600 0.054 0.000 1.050 1204 K CA 1.284 57.592 56.287 0.035 0.000 0.942 1204 K CB -0.063 32.454 32.500 0.029 0.000 0.724 1204 K HN 0.644 nan 8.250 nan 0.000 0.446 1205 K N -0.356 120.075 120.400 0.052 0.000 2.525 1205 K HA 0.347 4.650 4.320 -0.028 0.000 0.254 1205 K C -0.554 176.071 176.600 0.041 0.000 0.934 1205 K CA -0.442 55.891 56.287 0.077 0.000 0.802 1205 K CB 1.947 34.498 32.500 0.085 0.000 1.295 1205 K HN 0.048 nan 8.250 nan 0.000 0.433 1206 G N 0.001 108.830 108.800 0.049 0.000 2.971 1206 G HA2 0.390 4.333 3.960 -0.028 0.000 0.235 1206 G HA3 0.390 4.333 3.960 -0.028 0.000 0.235 1206 G C -0.211 174.476 174.900 -0.354 0.000 1.351 1206 G CA -0.406 44.662 45.100 -0.053 0.000 1.039 1206 G HN 0.601 nan 8.290 nan 0.000 0.563 1207 S N -1.454 113.972 115.700 -0.457 0.000 3.082 1207 S HA 0.432 4.885 4.470 -0.028 0.000 0.253 1207 S C -0.167 174.129 174.600 -0.507 0.000 0.961 1207 S CA -0.319 57.323 58.200 -0.930 0.000 1.129 1207 S CB -0.319 62.580 63.200 -0.502 0.000 1.083 1207 S HN 0.371 nan 8.310 nan 0.000 0.605 1208 I N 2.629 123.135 120.570 -0.107 0.000 2.533 1208 I HA 0.523 4.677 4.170 -0.028 0.000 0.290 1208 I C -1.188 175.170 176.117 0.402 0.000 1.056 1208 I CA -1.242 60.155 61.300 0.161 0.000 1.057 1208 I CB 2.090 40.160 38.000 0.115 0.000 1.240 1208 I HN 0.396 nan 8.210 nan 0.000 0.423 1209 Y N 3.521 124.007 120.300 0.310 0.000 2.429 1209 Y HA 0.775 5.309 4.550 -0.027 0.000 0.342 1209 Y C -0.517 175.511 175.900 0.213 0.000 1.004 1209 Y CA -1.327 56.936 58.100 0.272 0.000 1.075 1209 Y CB 1.809 40.406 38.460 0.227 0.000 1.214 1209 Y HN 0.412 nan 8.280 nan 0.000 0.455 1210 S N 5.932 121.757 115.700 0.209 0.000 2.774 1210 S HA 0.738 5.191 4.470 -0.028 0.000 0.297 1210 S C -1.430 173.248 174.600 0.129 0.000 1.143 1210 S CA -0.508 57.821 58.200 0.214 0.000 1.090 1210 S CB -0.047 63.412 63.200 0.432 0.000 1.019 1210 S HN 0.850 nan 8.310 nan 0.000 0.482 1211 I N 3.761 124.294 120.570 -0.061 0.000 2.908 1211 I HA 0.413 4.567 4.170 -0.028 0.000 0.300 1211 I C -1.496 174.110 176.117 -0.852 0.000 1.385 1211 I CA -0.725 60.338 61.300 -0.396 0.000 1.004 1211 I CB 1.902 39.797 38.000 -0.175 0.000 1.309 1211 I HN 0.575 nan 8.210 nan 0.000 0.449 1212 N N 4.876 122.939 118.700 -1.062 0.000 2.439 1212 N HA 0.146 4.870 4.740 -0.028 0.000 0.243 1212 N C 0.208 175.651 175.510 -0.111 0.000 1.088 1212 N CA 0.265 52.883 53.050 -0.721 0.000 0.940 1212 N CB 0.661 38.898 38.487 -0.417 0.000 1.180 1212 N HN 0.578 nan 8.380 nan 0.000 0.505 1213 E N 1.627 121.789 120.200 -0.064 0.000 2.511 1213 E HA -0.013 4.320 4.350 -0.028 0.000 0.196 1213 E C 1.368 177.911 176.600 -0.094 0.000 1.066 1213 E CA 0.038 56.492 56.400 0.090 0.000 0.871 1213 E CB 0.163 29.935 29.700 0.121 0.000 0.863 1213 E HN 0.735 nan 8.360 nan 0.000 0.520 1214 G N 0.374 109.045 108.800 -0.215 0.000 2.498 1214 G HA2 -0.233 3.710 3.960 -0.028 0.000 0.219 1214 G HA3 -0.233 3.710 3.960 -0.028 0.000 0.219 1214 G C 0.799 175.391 174.900 -0.512 0.000 1.119 1214 G CA 0.393 45.285 45.100 -0.347 0.000 0.766 1214 G HN 0.273 nan 8.290 nan 0.000 0.552 1215 Y N 0.620 120.673 120.300 -0.412 0.000 2.470 1215 Y HA 0.441 4.974 4.550 -0.028 0.000 0.284 1215 Y C 2.456 177.637 175.900 -1.198 0.000 1.188 1215 Y CA -0.531 57.161 58.100 -0.680 0.000 1.269 1215 Y CB -0.051 38.020 38.460 -0.649 0.000 1.094 1215 Y HN 0.218 nan 8.280 nan 0.000 0.518 1216 A N 0.529 122.906 122.820 -0.739 0.000 1.948 1216 A HA -0.281 4.022 4.320 -0.028 0.000 0.220 1216 A C 2.291 179.675 177.584 -0.333 0.000 1.177 1216 A CA 1.918 53.626 52.037 -0.549 0.000 0.636 1216 A CB -0.419 18.504 19.000 -0.128 0.000 0.815 1216 A HN 0.442 nan 8.150 nan 0.000 0.449 1217 K N -0.462 119.791 120.400 -0.245 0.000 2.280 1217 K HA -0.170 4.134 4.320 -0.028 0.000 0.202 1217 K C 1.174 177.707 176.600 -0.112 0.000 1.047 1217 K CA 1.653 57.862 56.287 -0.131 0.000 0.942 1217 K CB -0.029 32.413 32.500 -0.097 0.000 0.739 1217 K HN 0.586 nan 8.250 nan 0.000 0.457 1218 E N -0.822 119.269 120.200 -0.182 0.000 2.460 1218 E HA 0.085 4.419 4.350 -0.028 0.000 0.200 1218 E C -0.399 176.197 176.600 -0.007 0.000 1.011 1218 E CA -0.214 56.137 56.400 -0.082 0.000 0.912 1218 E CB 0.192 29.864 29.700 -0.046 0.000 0.953 1218 E HN 0.022 nan 8.360 nan 0.000 0.494 1219 F N 2.703 122.657 119.950 0.007 0.000 2.506 1219 F HA 0.095 4.605 4.527 -0.028 0.000 0.351 1219 F C 1.080 176.851 175.800 -0.049 0.000 1.136 1219 F CA -1.731 56.254 58.000 -0.026 0.000 1.298 1219 F CB 0.029 39.005 39.000 -0.039 0.000 1.145 1219 F HN -0.043 nan 8.300 nan 0.000 0.593 1220 D N 2.225 122.721 120.400 0.161 0.000 2.371 1220 D HA 0.163 4.786 4.640 -0.028 0.000 0.242 1220 D C -2.228 174.003 176.300 -0.115 0.000 1.218 1220 D CA -1.534 52.468 54.000 0.004 0.000 0.945 1220 D CB 0.095 40.898 40.800 0.004 0.000 1.137 1220 D HN 0.147 nan 8.370 nan 0.000 0.464 1221 P HA -0.049 nan 4.420 nan 0.000 0.220 1221 P C 0.962 177.903 177.300 -0.600 0.000 1.148 1221 P CA 1.807 64.685 63.100 -0.370 0.000 0.803 1221 P CB -0.003 31.426 31.700 -0.452 0.000 0.782 1222 A N -0.262 122.122 122.820 -0.727 0.000 1.872 1222 A HA -0.119 4.185 4.320 -0.028 0.000 0.214 1222 A C 2.107 179.395 177.584 -0.492 0.000 1.187 1222 A CA 1.133 52.715 52.037 -0.758 0.000 0.614 1222 A CB -1.387 16.876 19.000 -1.228 0.000 0.826 1222 A HN -0.003 nan 8.150 nan 0.000 0.442 1223 I N 0.457 120.745 120.570 -0.470 0.000 2.208 1223 I HA -0.205 3.949 4.170 -0.028 0.000 0.245 1223 I C 2.489 178.465 176.117 -0.234 0.000 1.097 1223 I CA 2.042 63.131 61.300 -0.352 0.000 1.363 1223 I CB -1.878 35.818 38.000 -0.507 0.000 1.051 1223 I HN 0.252 nan 8.210 nan 0.000 0.413 1224 T N 0.211 114.667 114.554 -0.163 0.000 2.720 1224 T HA -0.238 4.096 4.350 -0.028 0.000 0.268 1224 T C 1.854 176.508 174.700 -0.077 0.000 1.037 1224 T CA 1.723 63.791 62.100 -0.053 0.000 1.144 1224 T CB -0.202 68.656 68.868 -0.015 0.000 0.864 1224 T HN 0.429 nan 8.240 nan 0.000 0.444 1225 E N -0.411 119.725 120.200 -0.107 0.000 2.072 1225 E HA -0.165 4.169 4.350 -0.028 0.000 0.191 1225 E C 2.017 178.576 176.600 -0.067 0.000 0.985 1225 E CA 0.847 57.209 56.400 -0.063 0.000 0.801 1225 E CB -0.210 29.484 29.700 -0.010 0.000 0.750 1225 E HN 0.613 nan 8.360 nan 0.000 0.452 1226 Y N 1.096 121.276 120.300 -0.200 0.000 2.145 1226 Y HA -0.179 4.355 4.550 -0.028 0.000 0.286 1226 Y C 1.938 177.666 175.900 -0.287 0.000 1.145 1226 Y CA 1.816 59.781 58.100 -0.225 0.000 1.148 1226 Y CB -0.143 38.176 38.460 -0.234 0.000 0.981 1226 Y HN 0.041 nan 8.280 nan 0.000 0.507 1227 I N -0.065 120.361 120.570 -0.240 0.000 2.226 1227 I HA -0.318 3.836 4.170 -0.028 0.000 0.245 1227 I C 2.400 178.309 176.117 -0.348 0.000 1.100 1227 I CA 1.690 62.744 61.300 -0.410 0.000 1.374 1227 I CB -0.447 37.432 38.000 -0.202 0.000 1.057 1227 I HN 0.244 nan 8.210 nan 0.000 0.413 1228 Q N 1.062 120.759 119.800 -0.171 0.000 2.124 1228 Q HA -0.220 4.103 4.340 -0.028 0.000 0.202 1228 Q C 2.292 178.256 176.000 -0.060 0.000 0.977 1228 Q CA 1.553 57.332 55.803 -0.040 0.000 0.850 1228 Q CB -0.272 28.443 28.738 -0.039 0.000 0.901 1228 Q HN 0.187 nan 8.270 nan 0.000 0.429 1229 R N -0.060 120.310 120.500 -0.217 0.000 2.115 1229 R HA -0.082 4.241 4.340 -0.028 0.000 0.230 1229 R C 1.274 177.348 176.300 -0.377 0.000 1.111 1229 R CA 1.070 57.019 56.100 -0.251 0.000 0.976 1229 R CB 0.068 30.186 30.300 -0.304 0.000 0.870 1229 R HN 0.121 nan 8.270 nan 0.000 0.445 1230 K N 0.714 120.750 120.400 -0.606 0.000 2.155 1230 K HA -0.054 4.249 4.320 -0.028 0.000 0.203 1230 K C 1.935 178.324 176.600 -0.351 0.000 1.052 1230 K CA 1.080 56.958 56.287 -0.681 0.000 0.948 1230 K CB 0.056 31.923 32.500 -1.055 0.000 0.728 1230 K HN 0.232 nan 8.250 nan 0.000 0.448 1231 K N -0.731 119.502 120.400 -0.278 0.000 2.211 1231 K HA 0.072 4.376 4.320 -0.028 0.000 0.201 1231 K C 0.112 176.402 176.600 -0.516 0.000 1.052 1231 K CA 0.563 56.671 56.287 -0.298 0.000 0.973 1231 K CB 0.246 32.621 32.500 -0.208 0.000 0.766 1231 K HN -0.044 nan 8.250 nan 0.000 0.466 1232 F N 1.513 121.395 119.950 -0.112 0.000 2.531 1232 F HA 0.288 4.799 4.527 -0.027 0.000 0.333 1232 F C -2.534 173.210 175.800 -0.093 0.000 1.292 1232 F CA -2.753 55.199 58.000 -0.079 0.000 1.184 1232 F CB 0.877 39.836 39.000 -0.069 0.000 1.426 1232 F HN -0.250 nan 8.300 nan 0.000 0.559 1233 P HA 0.069 nan 4.420 nan 0.000 0.268 1233 P C -1.777 175.533 177.300 0.017 0.000 1.204 1233 P CA -1.119 61.969 63.100 -0.019 0.000 0.768 1233 P CB 0.534 32.220 31.700 -0.023 0.000 0.842 1234 P HA -0.119 nan 4.420 nan 0.000 0.226 1234 P C 0.345 177.651 177.300 0.010 0.000 1.153 1234 P CA 1.297 64.402 63.100 0.008 0.000 0.777 1234 P CB 0.060 31.756 31.700 -0.007 0.000 0.794 1235 D N -2.136 118.269 120.400 0.008 0.000 2.368 1235 D HA -0.006 4.617 4.640 -0.028 0.000 0.218 1235 D C 0.617 176.926 176.300 0.015 0.000 1.112 1235 D CA -0.724 53.282 54.000 0.011 0.000 0.834 1235 D CB -1.185 39.622 40.800 0.012 0.000 0.953 1235 D HN -0.143 nan 8.370 nan 0.000 0.505 1236 N N 0.354 119.065 118.700 0.018 0.000 2.708 1236 N HA -0.203 4.521 4.740 -0.028 0.000 0.251 1236 N C -0.533 174.986 175.510 0.015 0.000 1.123 1236 N CA 0.948 54.008 53.050 0.017 0.000 0.739 1236 N CB -1.359 37.137 38.487 0.016 0.000 1.113 1236 N HN 0.553 nan 8.380 nan 0.000 0.561 1237 S N -1.149 114.563 115.700 0.020 0.000 2.634 1237 S HA 0.669 5.123 4.470 -0.028 0.000 0.261 1237 S C 0.708 175.325 174.600 0.028 0.000 1.271 1237 S CA -0.180 58.037 58.200 0.028 0.000 0.985 1237 S CB 1.427 64.655 63.200 0.048 0.000 0.968 1237 S HN 0.495 nan 8.310 nan 0.000 0.568 1238 A N 1.481 124.320 122.820 0.032 0.000 2.477 1238 A HA 0.518 4.821 4.320 -0.028 0.000 0.246 1238 A C -2.238 175.386 177.584 0.067 0.000 1.078 1238 A CA -1.259 50.794 52.037 0.026 0.000 0.770 1238 A CB -1.121 17.887 19.000 0.013 0.000 1.011 1238 A HN 0.673 nan 8.150 nan 0.000 0.494 1239 P HA 0.083 nan 4.420 nan 0.000 0.267 1239 P C -0.606 176.816 177.300 0.204 0.000 1.200 1239 P CA 0.279 63.414 63.100 0.058 0.000 0.772 1239 P CB 0.145 31.816 31.700 -0.049 0.000 0.855 1240 Y N 0.656 120.963 120.300 0.011 0.000 2.457 1240 Y HA 0.325 4.858 4.550 -0.028 0.000 0.341 1240 Y C 1.661 177.652 175.900 0.151 0.000 1.240 1240 Y CA -0.152 58.012 58.100 0.106 0.000 1.437 1240 Y CB -0.365 38.217 38.460 0.205 0.000 1.328 1240 Y HN 0.366 nan 8.280 nan 0.000 0.588 1241 G N 0.390 109.313 108.800 0.205 0.000 2.507 1241 G HA2 0.524 4.467 3.960 -0.028 0.000 0.271 1241 G HA3 0.524 4.467 3.960 -0.028 0.000 0.271 1241 G C -1.061 173.859 174.900 0.033 0.000 1.189 1241 G CA -0.315 44.848 45.100 0.105 0.000 0.859 1241 G HN 0.805 nan 8.290 nan 0.000 0.542 1242 A N 1.538 124.287 122.820 -0.119 0.000 2.330 1242 A HA 0.862 5.166 4.320 -0.028 0.000 0.327 1242 A C -0.049 177.431 177.584 -0.174 0.000 1.155 1242 A CA -0.739 51.040 52.037 -0.429 0.000 0.803 1242 A CB 1.155 19.876 19.000 -0.465 0.000 1.208 1242 A HN 0.533 nan 8.150 nan 0.000 0.477 1243 R N 0.836 121.260 120.500 -0.126 0.000 2.564 1243 R HA 0.408 4.731 4.340 -0.028 0.000 0.284 1243 R C -2.283 174.109 176.300 0.152 0.000 1.031 1243 R CA -0.442 55.673 56.100 0.025 0.000 0.904 1243 R CB 1.641 31.976 30.300 0.058 0.000 1.199 1243 R HN 0.776 nan 8.270 nan 0.000 0.443 1244 Y N 2.355 122.662 120.300 0.011 0.000 2.325 1244 Y HA 0.088 4.622 4.550 -0.026 0.000 0.336 1244 Y C 0.945 176.889 175.900 0.074 0.000 1.130 1244 Y CA -0.650 57.493 58.100 0.072 0.000 1.264 1244 Y CB 0.921 39.419 38.460 0.064 0.000 1.128 1244 Y HN 0.383 nan 8.280 nan 0.000 0.469 1245 V N 2.269 122.107 119.914 -0.127 0.000 2.427 1245 V HA 0.182 4.285 4.120 -0.028 0.000 0.248 1245 V C 1.442 177.411 176.094 -0.208 0.000 1.051 1245 V CA 2.116 64.345 62.300 -0.118 0.000 1.048 1245 V CB -0.611 31.157 31.823 -0.093 0.000 0.666 1245 V HN 1.453 nan 8.190 nan 0.000 0.456 1246 G N -0.421 108.075 108.800 -0.506 0.000 2.176 1246 G HA2 -0.196 3.747 3.960 -0.028 0.000 0.232 1246 G HA3 -0.196 3.747 3.960 -0.028 0.000 0.232 1246 G C 0.195 174.997 174.900 -0.164 0.000 0.986 1246 G CA 0.196 45.055 45.100 -0.403 0.000 0.643 1246 G HN 0.935 nan 8.290 nan 0.000 0.522 1247 S N 0.282 115.884 115.700 -0.164 0.000 2.498 1247 S HA 0.559 5.013 4.470 -0.028 0.000 0.317 1247 S C 1.120 175.621 174.600 -0.165 0.000 1.090 1247 S CA 0.052 58.194 58.200 -0.096 0.000 1.089 1247 S CB 1.540 64.700 63.200 -0.066 0.000 0.997 1247 S HN 0.375 nan 8.310 nan 0.000 0.470 1248 M N 3.665 123.185 119.600 -0.134 0.000 2.106 1248 M HA -0.121 4.342 4.480 -0.028 0.000 0.259 1248 M C 1.301 177.351 176.300 -0.417 0.000 1.068 1248 M CA 2.015 57.140 55.300 -0.291 0.000 1.100 1248 M CB -0.234 32.281 32.600 -0.142 0.000 1.351 1248 M HN 0.585 nan 8.290 nan 0.000 0.404 1249 V N 0.642 120.368 119.914 -0.314 0.000 2.407 1249 V HA -0.245 3.859 4.120 -0.028 0.000 0.248 1249 V C 2.634 178.494 176.094 -0.390 0.000 1.055 1249 V CA 1.880 63.911 62.300 -0.449 0.000 1.049 1249 V CB -1.555 30.090 31.823 -0.298 0.000 0.662 1249 V HN 0.644 nan 8.190 nan 0.000 0.455 1250 A N -0.398 122.276 122.820 -0.244 0.000 1.897 1250 A HA -0.180 4.123 4.320 -0.028 0.000 0.215 1250 A C 2.054 179.529 177.584 -0.181 0.000 1.181 1250 A CA 1.632 53.574 52.037 -0.158 0.000 0.620 1250 A CB -0.470 18.465 19.000 -0.108 0.000 0.821 1250 A HN 0.516 nan 8.150 nan 0.000 0.443 1251 D N -0.199 120.040 120.400 -0.267 0.000 2.117 1251 D HA -0.083 4.540 4.640 -0.028 0.000 0.198 1251 D C 2.079 178.175 176.300 -0.340 0.000 0.982 1251 D CA 1.359 55.208 54.000 -0.252 0.000 0.828 1251 D CB -0.180 40.479 40.800 -0.236 0.000 0.967 1251 D HN 0.211 nan 8.370 nan 0.000 0.464 1252 V N 0.691 120.282 119.914 -0.539 0.000 2.427 1252 V HA -0.229 3.874 4.120 -0.028 0.000 0.248 1252 V C 2.318 178.272 176.094 -0.233 0.000 1.051 1252 V CA 1.565 63.611 62.300 -0.422 0.000 1.048 1252 V CB -0.523 30.992 31.823 -0.513 0.000 0.666 1252 V HN 0.209 nan 8.190 nan 0.000 0.456 1253 H N 0.599 119.476 119.070 -0.321 0.000 2.353 1253 H HA -0.150 4.390 4.556 -0.025 0.000 0.300 1253 H C 2.455 177.687 175.328 -0.160 0.000 1.090 1253 H CA 2.211 58.180 56.048 -0.132 0.000 1.327 1253 H CB -0.104 29.624 29.762 -0.056 0.000 1.383 1253 H HN 0.235 nan 8.280 nan 0.000 0.508 1254 R N -0.522 119.832 120.500 -0.243 0.000 2.096 1254 R HA -0.120 4.203 4.340 -0.028 0.000 0.235 1254 R C 1.782 177.917 176.300 -0.275 0.000 1.127 1254 R CA 1.861 57.717 56.100 -0.407 0.000 0.968 1254 R CB -0.261 29.868 30.300 -0.285 0.000 0.861 1254 R HN 0.369 nan 8.270 nan 0.000 0.440 1255 T N 1.989 116.462 114.554 -0.134 0.000 2.788 1255 T HA -0.120 4.213 4.350 -0.028 0.000 0.268 1255 T C 1.671 176.344 174.700 -0.044 0.000 1.044 1255 T CA 0.789 62.875 62.100 -0.023 0.000 1.139 1255 T CB -0.138 68.749 68.868 0.033 0.000 0.867 1255 T HN 0.095 nan 8.240 nan 0.000 0.454 1256 L N 1.908 123.064 121.223 -0.112 0.000 2.017 1256 L HA -0.055 4.268 4.340 -0.028 0.000 0.208 1256 L C 2.678 179.476 176.870 -0.119 0.000 1.073 1256 L CA 1.963 56.742 54.840 -0.101 0.000 0.745 1256 L CB -1.067 40.934 42.059 -0.096 0.000 0.894 1256 L HN 0.327 nan 8.230 nan 0.000 0.432 1257 V N -5.074 114.698 119.914 -0.237 0.000 3.174 1257 V HA -0.107 3.996 4.120 -0.028 0.000 0.254 1257 V C 1.834 178.005 176.094 0.129 0.000 1.120 1257 V CA 0.504 62.722 62.300 -0.137 0.000 1.114 1257 V CB -0.630 31.012 31.823 -0.302 0.000 0.756 1257 V HN 0.404 nan 8.190 nan 0.000 0.467 1258 Y N 1.388 121.637 120.300 -0.085 0.000 2.430 1258 Y HA 0.560 5.094 4.550 -0.028 0.000 0.248 1258 Y C 1.605 177.482 175.900 -0.039 0.000 1.108 1258 Y CA -0.145 57.922 58.100 -0.054 0.000 1.264 1258 Y CB 0.912 39.345 38.460 -0.044 0.000 1.172 1258 Y HN 0.527 nan 8.280 nan 0.000 0.520 1259 G N 0.650 109.526 108.800 0.126 0.000 2.796 1259 G HA2 0.173 4.116 3.960 -0.028 0.000 0.571 1259 G HA3 0.173 4.116 3.960 -0.028 0.000 0.571 1259 G C 0.028 174.994 174.900 0.110 0.000 1.370 1259 G CA -0.539 44.614 45.100 0.087 0.000 0.856 1259 G HN 0.990 nan 8.290 nan 0.000 0.538 1260 G N -1.270 107.604 108.800 0.124 0.000 2.378 1260 G HA2 0.408 4.351 3.960 -0.028 0.000 0.198 1260 G HA3 0.408 4.351 3.960 -0.028 0.000 0.198 1260 G C -0.465 174.575 174.900 0.233 0.000 1.223 1260 G CA 0.184 45.402 45.100 0.196 0.000 1.088 1260 G HN 2.254 nan 8.290 nan 0.000 0.530 1261 I N -0.518 120.230 120.570 0.297 0.000 2.686 1261 I HA 0.766 4.919 4.170 -0.028 0.000 0.295 1261 I C -1.427 174.882 176.117 0.319 0.000 1.114 1261 I CA -1.261 60.205 61.300 0.276 0.000 1.038 1261 I CB 1.826 39.990 38.000 0.273 0.000 1.238 1261 I HN 0.793 nan 8.210 nan 0.000 0.420 1262 F N 8.025 128.052 119.950 0.129 0.000 2.495 1262 F HA 0.726 5.238 4.527 -0.026 0.000 0.327 1262 F C -1.385 174.486 175.800 0.118 0.000 1.103 1262 F CA -0.615 57.468 58.000 0.138 0.000 0.949 1262 F CB 1.683 40.747 39.000 0.106 0.000 1.142 1262 F HN 0.270 nan 8.300 nan 0.000 0.457 1263 M N 6.646 125.811 119.600 -0.725 0.000 2.327 1263 M HA 0.297 4.760 4.480 -0.028 0.000 0.298 1263 M C -1.936 173.991 176.300 -0.622 0.000 1.065 1263 M CA -0.673 54.317 55.300 -0.518 0.000 0.916 1263 M CB 2.335 34.756 32.600 -0.300 0.000 1.630 1263 M HN 0.622 nan 8.290 nan 0.000 0.442 1264 Y N 4.756 124.838 120.300 -0.363 0.000 2.592 1264 Y HA 0.428 4.961 4.550 -0.028 0.000 0.354 1264 Y C -2.641 173.201 175.900 -0.097 0.000 1.063 1264 Y CA -2.074 55.925 58.100 -0.168 0.000 1.205 1264 Y CB 0.852 39.302 38.460 -0.016 0.000 1.106 1264 Y HN 0.340 nan 8.280 nan 0.000 0.649 1265 P HA 0.385 nan 4.420 nan 0.000 0.282 1265 P C -0.412 176.957 177.300 0.115 0.000 1.287 1265 P CA -0.379 62.748 63.100 0.045 0.000 0.792 1265 P CB 1.315 32.992 31.700 -0.038 0.000 1.163 1266 A N 1.277 124.144 122.820 0.079 0.000 2.406 1266 A HA 0.415 4.718 4.320 -0.028 0.000 0.243 1266 A C 0.444 178.094 177.584 0.110 0.000 1.082 1266 A CA 0.192 52.276 52.037 0.077 0.000 0.786 1266 A CB -0.829 18.202 19.000 0.052 0.000 1.029 1266 A HN 0.844 nan 8.150 nan 0.000 0.495 1267 N N -1.190 117.564 118.700 0.089 0.000 2.972 1267 N HA 0.241 4.965 4.740 -0.028 0.000 0.262 1267 N C 0.239 175.785 175.510 0.060 0.000 1.478 1267 N CA -0.285 52.827 53.050 0.104 0.000 0.841 1267 N CB 0.697 39.239 38.487 0.093 0.000 1.512 1267 N HN 0.466 nan 8.380 nan 0.000 0.548 1268 K N -0.125 120.306 120.400 0.051 0.000 2.362 1268 K HA -0.015 4.288 4.320 -0.028 0.000 0.200 1268 K C 0.252 176.868 176.600 0.027 0.000 1.046 1268 K CA 1.218 57.526 56.287 0.035 0.000 0.952 1268 K CB -0.104 32.412 32.500 0.026 0.000 0.753 1268 K HN 0.595 nan 8.250 nan 0.000 0.466 1269 K N 0.220 120.635 120.400 0.026 0.000 2.354 1269 K HA 0.147 4.451 4.320 -0.028 0.000 0.194 1269 K C -0.294 176.318 176.600 0.020 0.000 1.038 1269 K CA -0.019 56.283 56.287 0.025 0.000 1.052 1269 K CB 0.890 33.411 32.500 0.035 0.000 0.861 1269 K HN -0.061 nan 8.250 nan 0.000 0.535 1270 S N 1.514 117.225 115.700 0.018 0.000 2.383 1270 S HA 0.199 4.652 4.470 -0.028 0.000 0.196 1270 S C -2.454 172.158 174.600 0.019 0.000 1.364 1270 S CA -0.910 57.298 58.200 0.013 0.000 1.212 1270 S CB 1.472 64.675 63.200 0.005 0.000 1.171 1270 S HN -0.061 nan 8.310 nan 0.000 0.456 1271 P HA -0.076 nan 4.420 nan 0.000 0.222 1271 P C 0.711 178.016 177.300 0.008 0.000 1.147 1271 P CA 0.920 64.030 63.100 0.016 0.000 0.790 1271 P CB 0.046 31.753 31.700 0.012 0.000 0.780 1272 K N -1.426 118.973 120.400 -0.000 0.000 2.537 1272 K HA 0.466 4.770 4.320 -0.028 0.000 0.206 1272 K C 0.842 177.433 176.600 -0.015 0.000 1.041 1272 K CA 0.119 56.398 56.287 -0.012 0.000 1.090 1272 K CB 0.120 32.607 32.500 -0.021 0.000 0.833 1272 K HN 0.044 nan 8.250 nan 0.000 0.493 1273 G N 2.607 111.411 108.800 0.007 0.000 2.645 1273 G HA2 -0.362 3.581 3.960 -0.028 0.000 0.239 1273 G HA3 -0.362 3.581 3.960 -0.028 0.000 0.239 1273 G C 0.102 174.953 174.900 -0.082 0.000 1.331 1273 G CA 0.335 45.444 45.100 0.015 0.000 0.890 1273 G HN 0.308 nan 8.290 nan 0.000 0.572 1274 K N -1.153 119.083 120.400 -0.274 0.000 2.344 1274 K HA 0.353 4.657 4.320 -0.028 0.000 0.200 1274 K C 1.325 177.739 176.600 -0.310 0.000 1.132 1274 K CA -0.156 55.911 56.287 -0.366 0.000 0.935 1274 K CB -0.006 32.064 32.500 -0.715 0.000 1.089 1274 K HN 0.488 nan 8.250 nan 0.000 0.496 1275 L N 2.909 123.907 121.223 -0.374 0.000 2.467 1275 L HA 0.151 4.474 4.340 -0.028 0.000 0.270 1275 L C 0.021 176.795 176.870 -0.159 0.000 1.205 1275 L CA -0.219 54.495 54.840 -0.209 0.000 0.828 1275 L CB 0.380 42.364 42.059 -0.126 0.000 1.101 1275 L HN 0.115 nan 8.230 nan 0.000 0.479 1276 R N 1.067 121.457 120.500 -0.183 0.000 2.254 1276 R HA 0.150 4.473 4.340 -0.028 0.000 0.318 1276 R C 0.733 176.808 176.300 -0.375 0.000 1.031 1276 R CA -0.565 55.343 56.100 -0.319 0.000 0.905 1276 R CB 1.131 31.131 30.300 -0.501 0.000 1.050 1276 R HN 0.455 nan 8.270 nan 0.000 0.456 1277 L N 3.722 124.775 121.223 -0.284 0.000 2.017 1277 L HA -0.123 4.201 4.340 -0.028 0.000 0.208 1277 L C 1.185 177.934 176.870 -0.203 0.000 1.073 1277 L CA 1.921 56.649 54.840 -0.187 0.000 0.745 1277 L CB -0.316 41.670 42.059 -0.122 0.000 0.894 1277 L HN 0.679 nan 8.230 nan 0.000 0.432 1278 L N -1.378 119.661 121.223 -0.306 0.000 2.109 1278 L HA -0.144 4.179 4.340 -0.028 0.000 0.207 1278 L C 1.609 178.469 176.870 -0.017 0.000 1.086 1278 L CA 1.574 56.344 54.840 -0.118 0.000 0.760 1278 L CB -0.567 41.468 42.059 -0.040 0.000 0.910 1278 L HN 0.586 nan 8.230 nan 0.000 0.437 1279 Y N -4.786 115.534 120.300 0.033 0.000 2.588 1279 Y HA 0.461 4.995 4.550 -0.028 0.000 0.247 1279 Y C 1.440 177.366 175.900 0.044 0.000 1.157 1279 Y CA -0.568 57.560 58.100 0.047 0.000 1.215 1279 Y CB -0.425 38.048 38.460 0.022 0.000 1.245 1279 Y HN 0.052 nan 8.280 nan 0.000 0.534 1280 E N -0.448 119.724 120.200 -0.046 0.000 2.756 1280 E HA 0.046 4.379 4.350 -0.028 0.000 0.192 1280 E C 1.316 177.904 176.600 -0.020 0.000 1.022 1280 E CA 0.615 57.014 56.400 -0.000 0.000 1.224 1280 E CB -0.410 29.282 29.700 -0.012 0.000 1.252 1280 E HN 0.298 nan 8.360 nan 0.000 0.494 1281 C N 1.466 120.736 119.300 -0.050 0.000 2.462 1281 C HA -0.039 4.404 4.460 -0.028 0.000 0.278 1281 C C 2.384 177.383 174.990 0.015 0.000 1.253 1281 C CA 1.240 60.254 59.018 -0.007 0.000 1.713 1281 C CB -1.166 26.558 27.740 -0.025 0.000 2.049 1281 C HN 0.424 nan 8.230 nan 0.000 0.477 1282 N N 0.397 119.104 118.700 0.012 0.000 2.084 1282 N HA -0.100 4.623 4.740 -0.028 0.000 0.190 1282 N C -1.090 174.453 175.510 0.055 0.000 1.030 1282 N CA 1.561 54.642 53.050 0.053 0.000 0.849 1282 N CB -0.707 37.830 38.487 0.085 0.000 1.012 1282 N HN 0.457 nan 8.380 nan 0.000 0.423 1283 P HA -0.136 nan 4.420 nan 0.000 0.215 1283 P C 1.126 178.455 177.300 0.048 0.000 1.153 1283 P CA 1.238 64.331 63.100 -0.012 0.000 0.853 1283 P CB 0.103 31.766 31.700 -0.062 0.000 0.788 1284 M N -1.268 118.352 119.600 0.033 0.000 2.254 1284 M HA 0.010 4.474 4.480 -0.028 0.000 0.265 1284 M C 2.106 178.442 176.300 0.060 0.000 1.066 1284 M CA 1.460 56.779 55.300 0.032 0.000 1.123 1284 M CB -1.932 30.647 32.600 -0.035 0.000 1.388 1284 M HN -0.114 nan 8.290 nan 0.000 0.425 1285 A N -0.754 122.109 122.820 0.071 0.000 1.933 1285 A HA -0.211 4.092 4.320 -0.028 0.000 0.218 1285 A C 2.165 179.803 177.584 0.090 0.000 1.175 1285 A CA 1.325 53.406 52.037 0.074 0.000 0.628 1285 A CB -1.036 18.008 19.000 0.073 0.000 0.814 1285 A HN 0.486 nan 8.150 nan 0.000 0.444 1286 Y N 0.430 120.725 120.300 -0.009 0.000 2.163 1286 Y HA -0.149 4.384 4.550 -0.029 0.000 0.288 1286 Y C 2.382 178.274 175.900 -0.014 0.000 1.136 1286 Y CA 1.858 59.947 58.100 -0.018 0.000 1.147 1286 Y CB -0.295 38.136 38.460 -0.048 0.000 0.987 1286 Y HN 0.063 nan 8.280 nan 0.000 0.509 1287 V N 0.285 120.262 119.914 0.104 0.000 2.287 1287 V HA -0.392 3.712 4.120 -0.028 0.000 0.248 1287 V C 2.454 178.529 176.094 -0.032 0.000 1.053 1287 V CA 2.155 64.471 62.300 0.026 0.000 1.027 1287 V CB -0.650 31.242 31.823 0.116 0.000 0.646 1287 V HN 0.451 nan 8.190 nan 0.000 0.447 1288 M N -0.699 118.901 119.600 0.001 0.000 2.117 1288 M HA -0.160 4.303 4.480 -0.028 0.000 0.262 1288 M C 2.223 178.496 176.300 -0.045 0.000 1.065 1288 M CA 1.687 56.983 55.300 -0.007 0.000 1.114 1288 M CB -1.065 31.546 32.600 0.018 0.000 1.361 1288 M HN 0.458 nan 8.290 nan 0.000 0.408 1289 E N -0.205 119.950 120.200 -0.075 0.000 2.153 1289 E HA -0.169 4.164 4.350 -0.028 0.000 0.194 1289 E C 1.881 178.390 176.600 -0.152 0.000 0.988 1289 E CA 0.739 57.079 56.400 -0.100 0.000 0.811 1289 E CB 0.029 29.671 29.700 -0.097 0.000 0.746 1289 E HN 0.314 nan 8.360 nan 0.000 0.466 1290 K N 0.139 120.391 120.400 -0.247 0.000 2.362 1290 K HA -0.018 4.286 4.320 -0.028 0.000 0.200 1290 K C 1.542 178.073 176.600 -0.114 0.000 1.046 1290 K CA 0.631 56.781 56.287 -0.228 0.000 0.952 1290 K CB 0.101 32.403 32.500 -0.330 0.000 0.753 1290 K HN 0.037 nan 8.250 nan 0.000 0.466 1291 A N -0.004 122.767 122.820 -0.082 0.000 2.275 1291 A HA 0.348 4.652 4.320 -0.028 0.000 0.212 1291 A C 1.170 178.735 177.584 -0.032 0.000 1.201 1291 A CA 0.709 52.719 52.037 -0.045 0.000 0.843 1291 A CB -0.070 18.912 19.000 -0.029 0.000 0.873 1291 A HN 0.309 nan 8.150 nan 0.000 0.492 1292 G N -1.875 106.903 108.800 -0.037 0.000 2.132 1292 G HA2 0.003 3.947 3.960 -0.028 0.000 0.234 1292 G HA3 0.003 3.947 3.960 -0.028 0.000 0.234 1292 G C 0.630 175.525 174.900 -0.008 0.000 0.989 1292 G CA 0.292 45.380 45.100 -0.021 0.000 0.676 1292 G HN 1.313 nan 8.290 nan 0.000 0.522 1293 G N -1.187 107.607 108.800 -0.009 0.000 2.753 1293 G HA2 0.812 4.755 3.960 -0.028 0.000 0.285 1293 G HA3 0.812 4.755 3.960 -0.028 0.000 0.285 1293 G C -0.315 174.588 174.900 0.006 0.000 1.344 1293 G CA -1.039 44.066 45.100 0.009 0.000 1.050 1293 G HN 0.653 nan 8.290 nan 0.000 0.532 1294 L N -0.750 120.484 121.223 0.019 0.000 2.354 1294 L HA 0.758 5.081 4.340 -0.028 0.000 0.264 1294 L C -0.289 176.595 176.870 0.024 0.000 1.008 1294 L CA -1.125 53.724 54.840 0.015 0.000 0.819 1294 L CB 2.479 44.546 42.059 0.014 0.000 1.339 1294 L HN 0.660 nan 8.230 nan 0.000 0.420 1295 A N 0.857 123.688 122.820 0.018 0.000 2.476 1295 A HA 0.670 4.973 4.320 -0.028 0.000 0.280 1295 A C -0.802 176.785 177.584 0.005 0.000 1.081 1295 A CA -0.367 51.686 52.037 0.026 0.000 0.753 1295 A CB 1.804 20.828 19.000 0.040 0.000 1.248 1295 A HN 0.562 nan 8.150 nan 0.000 0.424 1296 T N 0.180 114.726 114.554 -0.014 0.000 2.906 1296 T HA 0.552 4.885 4.350 -0.028 0.000 0.295 1296 T C 1.273 175.925 174.700 -0.081 0.000 1.075 1296 T CA 0.482 62.551 62.100 -0.052 0.000 1.005 1296 T CB 1.479 70.301 68.868 -0.076 0.000 1.136 1296 T HN 1.199 nan 8.240 nan 0.000 0.498 1297 T N -0.102 114.384 114.554 -0.114 0.000 3.088 1297 T HA 0.350 4.683 4.350 -0.028 0.000 0.259 1297 T C 1.606 176.124 174.700 -0.303 0.000 1.122 1297 T CA 1.212 63.224 62.100 -0.147 0.000 1.095 1297 T CB -0.195 68.599 68.868 -0.125 0.000 0.930 1297 T HN 1.516 nan 8.240 nan 0.000 0.508 1298 G N 1.250 109.818 108.800 -0.387 0.000 2.278 1298 G HA2 -0.200 3.743 3.960 -0.028 0.000 0.210 1298 G HA3 -0.200 3.743 3.960 -0.028 0.000 0.210 1298 G C 0.795 175.331 174.900 -0.606 0.000 1.000 1298 G CA 0.173 44.778 45.100 -0.825 0.000 0.635 1298 G HN 0.570 nan 8.290 nan 0.000 0.495 1299 K N 0.390 120.586 120.400 -0.340 0.000 2.502 1299 K HA 0.393 4.696 4.320 -0.028 0.000 0.211 1299 K C 0.449 176.983 176.600 -0.110 0.000 1.259 1299 K CA 0.741 56.914 56.287 -0.190 0.000 0.983 1299 K CB 1.002 33.413 32.500 -0.149 0.000 1.054 1299 K HN 0.691 nan 8.250 nan 0.000 0.572 1300 E N -0.176 119.962 120.200 -0.104 0.000 2.407 1300 E HA 0.581 4.914 4.350 -0.028 0.000 0.279 1300 E C -1.430 175.139 176.600 -0.050 0.000 1.012 1300 E CA -1.284 55.080 56.400 -0.061 0.000 0.800 1300 E CB 1.188 30.861 29.700 -0.046 0.000 1.276 1300 E HN -0.046 nan 8.360 nan 0.000 0.452 1301 A N 1.658 124.462 122.820 -0.027 0.000 2.488 1301 A HA 0.251 4.555 4.320 -0.028 0.000 0.249 1301 A C 1.155 178.736 177.584 -0.005 0.000 1.083 1301 A CA -0.288 51.742 52.037 -0.013 0.000 0.768 1301 A CB 0.442 19.443 19.000 0.002 0.000 1.017 1301 A HN 0.521 nan 8.150 nan 0.000 0.496 1302 V N 3.443 123.357 119.914 0.000 0.000 2.324 1302 V HA -0.275 3.829 4.120 -0.028 0.000 0.250 1302 V C 2.259 178.370 176.094 0.028 0.000 1.060 1302 V CA 2.330 64.636 62.300 0.009 0.000 1.042 1302 V CB -0.834 31.000 31.823 0.018 0.000 0.650 1302 V HN 0.836 nan 8.190 nan 0.000 0.450 1303 L N -0.349 120.902 121.223 0.047 0.000 2.465 1303 L HA -0.064 4.259 4.340 -0.028 0.000 0.224 1303 L C 1.661 178.568 176.870 0.063 0.000 1.145 1303 L CA 0.809 55.694 54.840 0.075 0.000 0.834 1303 L CB -0.437 41.684 42.059 0.102 0.000 0.944 1303 L HN 0.339 nan 8.230 nan 0.000 0.451 1304 D N -0.042 120.381 120.400 0.037 0.000 2.339 1304 D HA 0.181 4.804 4.640 -0.028 0.000 0.217 1304 D C 0.832 177.141 176.300 0.014 0.000 1.050 1304 D CA 0.227 54.243 54.000 0.027 0.000 0.856 1304 D CB 0.385 41.195 40.800 0.017 0.000 0.922 1304 D HN 0.221 nan 8.370 nan 0.000 0.518 1305 I N 1.413 121.988 120.570 0.008 0.000 2.618 1305 I HA -0.048 4.105 4.170 -0.028 0.000 0.284 1305 I C 0.272 176.385 176.117 -0.008 0.000 1.146 1305 I CA -0.164 61.133 61.300 -0.006 0.000 1.425 1305 I CB 1.114 39.105 38.000 -0.014 0.000 1.383 1305 I HN -0.349 nan 8.210 nan 0.000 0.562 1306 V N 8.833 128.738 119.914 -0.015 0.000 2.353 1306 V HA 0.199 4.303 4.120 -0.028 0.000 0.264 1306 V C -1.793 174.280 176.094 -0.036 0.000 1.049 1306 V CA -1.481 60.803 62.300 -0.026 0.000 0.896 1306 V CB 0.309 32.117 31.823 -0.024 0.000 1.025 1306 V HN 0.620 nan 8.190 nan 0.000 0.475 1307 P HA 0.231 nan 4.420 nan 0.000 0.274 1307 P C 0.627 177.897 177.300 -0.051 0.000 1.231 1307 P CA -0.122 62.946 63.100 -0.053 0.000 0.790 1307 P CB 0.883 32.540 31.700 -0.071 0.000 0.951 1308 T N -3.747 110.781 114.554 -0.043 0.000 3.003 1308 T HA 0.182 4.515 4.350 -0.028 0.000 0.261 1308 T C -0.062 174.617 174.700 -0.035 0.000 1.003 1308 T CA -0.027 62.051 62.100 -0.036 0.000 0.917 1308 T CB -0.086 68.767 68.868 -0.024 0.000 1.084 1308 T HN 0.382 nan 8.240 nan 0.000 0.522 1309 D N 1.012 121.388 120.400 -0.041 0.000 2.964 1309 D HA 0.290 4.913 4.640 -0.028 0.000 0.234 1309 D C 1.106 177.363 176.300 -0.072 0.000 1.223 1309 D CA -1.032 52.947 54.000 -0.034 0.000 0.889 1309 D CB 1.580 42.379 40.800 -0.002 0.000 1.609 1309 D HN 0.254 nan 8.370 nan 0.000 0.523 1310 I N 0.734 121.228 120.570 -0.126 0.000 2.756 1310 I HA -0.023 4.131 4.170 -0.028 0.000 0.262 1310 I C 0.441 176.385 176.117 -0.288 0.000 1.225 1310 I CA 0.839 62.004 61.300 -0.224 0.000 1.472 1310 I CB -0.105 37.709 38.000 -0.310 0.000 1.094 1310 I HN 0.263 nan 8.210 nan 0.000 0.454 1311 H N 1.732 120.830 119.070 0.047 0.000 2.486 1311 H HA 0.294 4.833 4.556 -0.028 0.000 0.284 1311 H C 0.169 175.477 175.328 -0.032 0.000 1.103 1311 H CA -0.334 55.747 56.048 0.055 0.000 1.089 1311 H CB -0.077 29.739 29.762 0.091 0.000 1.603 1311 H HN 0.539 nan 8.280 nan 0.000 0.557 1312 Q N 1.722 121.523 119.800 0.002 0.000 2.349 1312 Q HA 0.053 4.376 4.340 -0.028 0.000 0.287 1312 Q C -0.203 175.754 176.000 -0.072 0.000 1.044 1312 Q CA 0.036 55.822 55.803 -0.030 0.000 0.918 1312 Q CB 0.804 29.513 28.738 -0.048 0.000 1.242 1312 Q HN 0.337 nan 8.270 nan 0.000 0.405 1313 R N 1.361 121.828 120.500 -0.056 0.000 2.532 1313 R HA 0.725 5.048 4.340 -0.028 0.000 0.272 1313 R C -1.052 175.206 176.300 -0.070 0.000 1.032 1313 R CA -0.277 55.776 56.100 -0.078 0.000 1.089 1313 R CB 1.542 31.803 30.300 -0.064 0.000 1.098 1313 R HN 0.672 nan 8.270 nan 0.000 0.526 1314 A N 2.576 125.351 122.820 -0.073 0.000 2.520 1314 A HA 0.566 4.869 4.320 -0.028 0.000 0.298 1314 A C -2.682 174.883 177.584 -0.033 0.000 1.051 1314 A CA -1.860 50.148 52.037 -0.050 0.000 0.690 1314 A CB 1.672 20.643 19.000 -0.047 0.000 1.281 1314 A HN 0.385 nan 8.150 nan 0.000 0.402 1315 P HA 0.508 nan 4.420 nan 0.000 0.272 1315 P C -0.710 176.596 177.300 0.009 0.000 1.223 1315 P CA 0.079 63.184 63.100 0.008 0.000 0.784 1315 P CB 0.697 32.385 31.700 -0.019 0.000 0.923 1316 I N 1.960 122.560 120.570 0.050 0.000 2.644 1316 I HA 0.451 4.604 4.170 -0.028 0.000 0.291 1316 I C -1.602 174.546 176.117 0.051 0.000 1.180 1316 I CA -0.818 60.518 61.300 0.060 0.000 1.040 1316 I CB 1.292 39.362 38.000 0.116 0.000 1.255 1316 I HN 0.140 nan 8.210 nan 0.000 0.422 1317 I N 8.423 129.007 120.570 0.023 0.000 2.439 1317 I HA 0.451 4.604 4.170 -0.028 0.000 0.285 1317 I C -1.187 174.963 176.117 0.055 0.000 1.021 1317 I CA -0.508 60.794 61.300 0.003 0.000 1.091 1317 I CB 1.656 39.616 38.000 -0.067 0.000 1.242 1317 I HN 0.396 nan 8.210 nan 0.000 0.439 1318 L N 4.389 125.690 121.223 0.129 0.000 2.409 1318 L HA 1.166 5.490 4.340 -0.028 0.000 0.255 1318 L C 0.001 176.954 176.870 0.139 0.000 1.027 1318 L CA -0.305 54.610 54.840 0.126 0.000 0.834 1318 L CB 1.633 43.781 42.059 0.148 0.000 1.426 1318 L HN 0.710 nan 8.230 nan 0.000 0.411 1319 G N -0.488 108.372 108.800 0.100 0.000 2.225 1319 G HA2 0.095 4.038 3.960 -0.028 0.000 0.203 1319 G HA3 0.095 4.038 3.960 -0.028 0.000 0.203 1319 G C -1.036 173.911 174.900 0.080 0.000 1.335 1319 G CA -0.373 44.787 45.100 0.101 0.000 1.183 1319 G HN 0.852 nan 8.290 nan 0.000 0.488 1320 S N 3.217 118.974 115.700 0.095 0.000 2.537 1320 S HA 0.355 4.808 4.470 -0.028 0.000 0.286 1320 S C -0.785 173.860 174.600 0.076 0.000 1.299 1320 S CA 0.128 58.377 58.200 0.081 0.000 1.067 1320 S CB 1.645 64.904 63.200 0.098 0.000 0.864 1320 S HN 0.536 nan 8.310 nan 0.000 0.494 1321 P HA -0.114 nan 4.420 nan 0.000 0.218 1321 P C 0.812 178.146 177.300 0.056 0.000 1.149 1321 P CA 1.083 64.210 63.100 0.045 0.000 0.817 1321 P CB 0.224 31.942 31.700 0.031 0.000 0.785 1322 E N -0.251 119.991 120.200 0.070 0.000 2.152 1322 E HA -0.129 4.205 4.350 -0.028 0.000 0.192 1322 E C 1.670 178.338 176.600 0.112 0.000 0.983 1322 E CA 0.783 57.232 56.400 0.082 0.000 0.818 1322 E CB -0.254 29.497 29.700 0.086 0.000 0.758 1322 E HN 0.312 nan 8.360 nan 0.000 0.467 1323 D N 0.377 120.864 120.400 0.145 0.000 2.103 1323 D HA -0.101 4.522 4.640 -0.028 0.000 0.199 1323 D C 2.146 178.501 176.300 0.091 0.000 0.978 1323 D CA 0.807 54.925 54.000 0.197 0.000 0.829 1323 D CB -0.079 40.893 40.800 0.287 0.000 0.981 1323 D HN 0.025 nan 8.370 nan 0.000 0.464 1324 V N 1.353 121.298 119.914 0.051 0.000 2.407 1324 V HA -0.208 3.896 4.120 -0.028 0.000 0.248 1324 V C 2.509 178.594 176.094 -0.015 0.000 1.055 1324 V CA 1.759 64.050 62.300 -0.015 0.000 1.049 1324 V CB -0.796 31.031 31.823 0.007 0.000 0.662 1324 V HN 0.201 nan 8.190 nan 0.000 0.455 1325 T N -0.609 113.958 114.554 0.022 0.000 2.867 1325 T HA -0.203 4.131 4.350 -0.028 0.000 0.268 1325 T C 1.863 176.583 174.700 0.034 0.000 1.057 1325 T CA 1.619 63.734 62.100 0.025 0.000 1.136 1325 T CB -0.144 68.744 68.868 0.034 0.000 0.874 1325 T HN 0.682 nan 8.240 nan 0.000 0.466 1326 E N 0.481 120.714 120.200 0.056 0.000 2.077 1326 E HA -0.136 4.197 4.350 -0.028 0.000 0.193 1326 E C 2.125 178.760 176.600 0.058 0.000 0.989 1326 E CA 0.823 57.277 56.400 0.090 0.000 0.800 1326 E CB -0.161 29.641 29.700 0.171 0.000 0.746 1326 E HN 0.272 nan 8.360 nan 0.000 0.452 1327 L N 0.883 122.052 121.223 -0.091 0.000 2.093 1327 L HA -0.081 4.242 4.340 -0.028 0.000 0.208 1327 L C 2.103 178.990 176.870 0.029 0.000 1.085 1327 L CA 1.396 56.110 54.840 -0.211 0.000 0.755 1327 L CB -0.449 41.253 42.059 -0.595 0.000 0.904 1327 L HN 0.248 nan 8.230 nan 0.000 0.435 1328 L N -0.631 120.619 121.223 0.045 0.000 2.079 1328 L HA -0.239 4.085 4.340 -0.028 0.000 0.210 1328 L C 2.479 179.416 176.870 0.112 0.000 1.081 1328 L CA 1.511 56.409 54.840 0.095 0.000 0.752 1328 L CB -0.442 41.634 42.059 0.028 0.000 0.896 1328 L HN 0.353 nan 8.230 nan 0.000 0.433 1329 E N 0.024 120.268 120.200 0.072 0.000 2.110 1329 E HA -0.214 4.120 4.350 -0.028 0.000 0.193 1329 E C 2.214 178.859 176.600 0.075 0.000 0.988 1329 E CA 1.152 57.590 56.400 0.064 0.000 0.804 1329 E CB -0.062 29.667 29.700 0.048 0.000 0.745 1329 E HN 0.512 nan 8.360 nan 0.000 0.458 1330 I N -0.050 120.567 120.570 0.078 0.000 2.252 1330 I HA -0.254 3.899 4.170 -0.028 0.000 0.245 1330 I C 1.901 178.081 176.117 0.105 0.000 1.102 1330 I CA 1.023 62.372 61.300 0.082 0.000 1.385 1330 I CB -0.281 37.742 38.000 0.038 0.000 1.064 1330 I HN 0.095 nan 8.210 nan 0.000 0.414 1331 Y N 1.440 121.770 120.300 0.051 0.000 2.165 1331 Y HA -0.309 4.224 4.550 -0.028 0.000 0.286 1331 Y C 2.778 178.717 175.900 0.066 0.000 1.155 1331 Y CA 1.722 59.851 58.100 0.047 0.000 1.164 1331 Y CB -0.484 37.970 38.460 -0.010 0.000 0.978 1331 Y HN 0.215 nan 8.280 nan 0.000 0.513 1332 Q N -0.101 119.814 119.800 0.192 0.000 2.084 1332 Q HA -0.237 4.086 4.340 -0.028 0.000 0.202 1332 Q C 2.253 178.294 176.000 0.068 0.000 0.978 1332 Q CA 1.753 57.621 55.803 0.108 0.000 0.844 1332 Q CB -0.216 28.564 28.738 0.070 0.000 0.898 1332 Q HN 0.397 nan 8.270 nan 0.000 0.426 1333 K N 0.166 120.591 120.400 0.042 0.000 2.063 1333 K HA -0.183 4.120 4.320 -0.028 0.000 0.208 1333 K C 1.449 177.985 176.600 -0.108 0.000 1.048 1333 K CA 1.277 57.533 56.287 -0.052 0.000 0.928 1333 K CB 0.028 32.469 32.500 -0.100 0.000 0.713 1333 K HN 0.338 nan 8.250 nan 0.000 0.442 1334 H N -0.374 118.691 119.070 -0.008 0.000 2.539 1334 H HA 0.198 4.737 4.556 -0.028 0.000 0.267 1334 H C 0.469 175.806 175.328 0.016 0.000 0.982 1334 H CA 0.256 56.296 56.048 -0.014 0.000 1.146 1334 H CB 0.344 30.071 29.762 -0.058 0.000 1.382 1334 H HN 0.272 nan 8.280 nan 0.000 0.577 1335 A N 0.000 122.893 122.820 0.121 0.000 2.254 1335 A HA 0.000 4.303 4.320 -0.028 0.000 0.244 1335 A CA 0.000 52.095 52.037 0.097 0.000 0.836 1335 A CB 0.000 19.055 19.000 0.091 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486