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 1nux_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 0.019 0.000 1.109 1008 T CA 0.000 62.109 62.100 0.015 0.000 1.349 1008 T CB 0.000 68.875 68.868 0.012 0.000 0.612 1009 N N 1.637 120.352 118.700 0.024 0.000 2.690 1009 N HA 0.425 5.149 4.740 -0.026 0.000 0.255 1009 N C -0.644 174.891 175.510 0.042 0.000 1.195 1009 N CA -0.629 52.440 53.050 0.031 0.000 0.790 1009 N CB 0.606 39.112 38.487 0.030 0.000 1.216 1009 N HN 0.537 nan 8.380 nan 0.000 0.528 1010 I N 2.372 122.969 120.570 0.044 0.000 2.406 1010 I HA 0.094 4.248 4.170 -0.026 0.000 0.293 1010 I C 0.092 176.259 176.117 0.083 0.000 1.101 1010 I CA -0.405 60.928 61.300 0.056 0.000 1.334 1010 I CB 0.531 38.558 38.000 0.046 0.000 1.421 1010 I HN 0.080 nan 8.210 nan 0.000 0.513 1011 V N 6.320 126.298 119.914 0.106 0.000 2.222 1011 V HA 0.065 4.169 4.120 -0.026 0.000 0.253 1011 V C 0.931 177.157 176.094 0.221 0.000 1.210 1011 V CA -0.433 61.963 62.300 0.160 0.000 1.079 1011 V CB -0.009 31.916 31.823 0.170 0.000 1.265 1011 V HN 0.842 nan 8.190 nan 0.000 0.494 1012 T N 0.698 115.365 114.554 0.189 0.000 2.847 1012 T HA 0.402 4.737 4.350 -0.026 0.000 0.279 1012 T C 1.240 176.047 174.700 0.179 0.000 0.984 1012 T CA -0.505 61.705 62.100 0.183 0.000 0.988 1012 T CB 1.654 70.586 68.868 0.106 0.000 1.040 1012 T HN 0.269 nan 8.240 nan 0.000 0.528 1013 L N 0.774 121.987 121.223 -0.017 0.000 2.042 1013 L HA -0.116 4.209 4.340 -0.026 0.000 0.210 1013 L C 2.727 179.495 176.870 -0.171 0.000 1.076 1013 L CA 2.001 56.535 54.840 -0.510 0.000 0.749 1013 L CB -1.002 40.560 42.059 -0.829 0.000 0.893 1013 L HN 0.943 nan 8.230 nan 0.000 0.432 1014 T N -0.633 113.878 114.554 -0.072 0.000 2.635 1014 T HA -0.300 4.035 4.350 -0.026 0.000 0.267 1014 T C 1.913 176.635 174.700 0.036 0.000 1.040 1014 T CA 1.953 64.039 62.100 -0.023 0.000 1.156 1014 T CB -0.286 68.580 68.868 -0.004 0.000 0.863 1014 T HN 0.366 nan 8.240 nan 0.000 0.430 1015 R N -0.244 120.304 120.500 0.080 0.000 2.073 1015 R HA -0.066 4.259 4.340 -0.026 0.000 0.234 1015 R C 2.234 178.606 176.300 0.119 0.000 1.134 1015 R CA 1.408 57.562 56.100 0.091 0.000 0.952 1015 R CB -0.581 29.781 30.300 0.105 0.000 0.850 1015 R HN 0.379 nan 8.270 nan 0.000 0.433 1016 F N 0.620 120.611 119.950 0.069 0.000 2.065 1016 F HA -0.251 4.261 4.527 -0.025 0.000 0.298 1016 F C 1.957 177.794 175.800 0.061 0.000 1.112 1016 F CA 1.849 59.916 58.000 0.113 0.000 1.212 1016 F CB -0.268 38.898 39.000 0.276 0.000 0.975 1016 F HN -0.149 nan 8.300 nan 0.000 0.476 1017 V N 0.282 120.335 119.914 0.231 0.000 2.667 1017 V HA -0.299 3.805 4.120 -0.026 0.000 0.252 1017 V C 2.197 178.298 176.094 0.012 0.000 1.065 1017 V CA 1.887 64.255 62.300 0.114 0.000 1.083 1017 V CB -0.519 31.335 31.823 0.052 0.000 0.692 1017 V HN 0.403 nan 8.190 nan 0.000 0.468 1018 M N -0.821 118.782 119.600 0.004 0.000 2.193 1018 M HA -0.092 4.372 4.480 -0.026 0.000 0.265 1018 M C 2.101 178.374 176.300 -0.046 0.000 1.071 1018 M CA 1.537 56.828 55.300 -0.015 0.000 1.140 1018 M CB -0.347 32.251 32.600 -0.003 0.000 1.369 1018 M HN 0.286 nan 8.290 nan 0.000 0.423 1019 E N 0.315 120.468 120.200 -0.079 0.000 2.347 1019 E HA -0.087 4.248 4.350 -0.026 0.000 0.196 1019 E C 0.470 176.973 176.600 -0.161 0.000 1.008 1019 E CA 0.444 56.777 56.400 -0.112 0.000 0.852 1019 E CB 0.144 29.772 29.700 -0.119 0.000 0.783 1019 E HN 0.388 nan 8.360 nan 0.000 0.505 1020 E N 0.001 120.076 120.200 -0.208 0.000 2.261 1020 E HA 0.099 4.433 4.350 -0.026 0.000 0.308 1020 E C 0.252 176.809 176.600 -0.072 0.000 1.400 1020 E CA -0.149 56.145 56.400 -0.178 0.000 1.542 1020 E CB 0.579 30.137 29.700 -0.237 0.000 1.369 1020 E HN 0.338 nan 8.360 nan 0.000 0.493 1021 G N 1.058 109.826 108.800 -0.054 0.000 4.378 1021 G HA2 -0.128 3.816 3.960 -0.026 0.000 0.191 1021 G HA3 -0.128 3.816 3.960 -0.026 0.000 0.191 1021 G C 1.110 176.000 174.900 -0.017 0.000 0.748 1021 G CA -0.383 44.705 45.100 -0.021 0.000 0.826 1021 G HN 0.224 nan 8.290 nan 0.000 0.464 1022 R N 0.948 121.432 120.500 -0.027 0.000 2.143 1022 R HA -0.039 4.285 4.340 -0.026 0.000 0.239 1022 R C 1.128 177.420 176.300 -0.013 0.000 1.126 1022 R CA 1.515 57.603 56.100 -0.019 0.000 0.927 1022 R CB -0.298 29.988 30.300 -0.025 0.000 0.860 1022 R HN 0.109 nan 8.270 nan 0.000 0.433 1023 K N 0.220 120.612 120.400 -0.015 0.000 2.997 1023 K HA 0.348 4.652 4.320 -0.026 0.000 0.249 1023 K C -0.919 175.679 176.600 -0.004 0.000 1.284 1023 K CA 0.001 56.283 56.287 -0.008 0.000 1.245 1023 K CB 1.096 33.591 32.500 -0.009 0.000 1.670 1023 K HN 0.286 nan 8.250 nan 0.000 0.385 1024 A N 1.777 124.597 122.820 -0.001 0.000 3.464 1024 A HA 0.168 4.472 4.320 -0.026 0.000 0.243 1024 A C -0.544 177.047 177.584 0.012 0.000 1.100 1024 A CA -0.784 51.257 52.037 0.006 0.000 0.957 1024 A CB 0.132 19.137 19.000 0.007 0.000 1.340 1024 A HN 0.526 nan 8.150 nan 0.000 0.645 1025 R N 0.640 121.146 120.500 0.010 0.000 4.591 1025 R HA 0.005 4.330 4.340 -0.026 0.000 0.174 1025 R C 1.111 177.422 176.300 0.019 0.000 0.321 1025 R CA 1.146 57.253 56.100 0.011 0.000 0.916 1025 R CB -0.327 29.978 30.300 0.009 0.000 0.952 1025 R HN 0.709 nan 8.270 nan 0.000 0.264 1026 G N 0.202 109.016 108.800 0.023 0.000 2.782 1026 G HA2 0.267 4.212 3.960 -0.026 0.000 0.201 1026 G HA3 0.267 4.212 3.960 -0.026 0.000 0.201 1026 G C 0.599 175.520 174.900 0.034 0.000 1.374 1026 G CA 0.108 45.230 45.100 0.037 0.000 1.039 1026 G HN 0.459 nan 8.290 nan 0.000 0.576 1027 T N -4.775 109.808 114.554 0.049 0.000 3.058 1027 T HA 0.394 4.728 4.350 -0.026 0.000 0.278 1027 T C 1.704 176.432 174.700 0.047 0.000 0.974 1027 T CA 1.044 63.168 62.100 0.040 0.000 0.893 1027 T CB 0.496 69.387 68.868 0.038 0.000 1.138 1027 T HN 2.129 nan 8.240 nan 0.000 0.529 1028 G N 1.806 110.638 108.800 0.053 0.000 2.189 1028 G HA2 -0.342 3.602 3.960 -0.026 0.000 0.267 1028 G HA3 -0.342 3.602 3.960 -0.026 0.000 0.267 1028 G C 0.707 175.647 174.900 0.066 0.000 0.975 1028 G CA 0.725 45.852 45.100 0.045 0.000 0.644 1028 G HN 0.579 nan 8.290 nan 0.000 0.537 1029 E N -1.029 119.241 120.200 0.117 0.000 2.150 1029 E HA -0.030 4.305 4.350 -0.026 0.000 0.193 1029 E C 2.413 179.100 176.600 0.146 0.000 0.985 1029 E CA 1.431 57.934 56.400 0.171 0.000 0.814 1029 E CB -0.137 29.720 29.700 0.260 0.000 0.752 1029 E HN 0.597 nan 8.360 nan 0.000 0.466 1030 M N 0.418 120.086 119.600 0.114 0.000 2.132 1030 M HA -0.118 4.347 4.480 -0.026 0.000 0.263 1030 M C 2.042 178.284 176.300 -0.096 0.000 1.065 1030 M CA 1.661 56.894 55.300 -0.112 0.000 1.122 1030 M CB -0.281 32.236 32.600 -0.137 0.000 1.365 1030 M HN -0.111 nan 8.290 nan 0.000 0.411 1031 T N 0.367 114.899 114.554 -0.037 0.000 2.788 1031 T HA -0.183 4.151 4.350 -0.026 0.000 0.268 1031 T C 1.746 176.416 174.700 -0.049 0.000 1.044 1031 T CA 1.801 63.874 62.100 -0.046 0.000 1.139 1031 T CB -0.239 68.619 68.868 -0.017 0.000 0.867 1031 T HN 0.545 nan 8.240 nan 0.000 0.454 1032 Q N 0.337 120.128 119.800 -0.014 0.000 2.050 1032 Q HA -0.017 4.308 4.340 -0.026 0.000 0.202 1032 Q C 2.368 178.342 176.000 -0.044 0.000 0.980 1032 Q CA 1.207 57.009 55.803 -0.002 0.000 0.840 1032 Q CB -0.385 28.386 28.738 0.055 0.000 0.898 1032 Q HN 0.434 nan 8.270 nan 0.000 0.424 1033 L N 0.419 121.603 121.223 -0.064 0.000 1.989 1033 L HA -0.243 4.081 4.340 -0.026 0.000 0.211 1033 L C 2.104 178.851 176.870 -0.204 0.000 1.071 1033 L CA 1.336 56.099 54.840 -0.127 0.000 0.749 1033 L CB -0.135 41.819 42.059 -0.176 0.000 0.890 1033 L HN 0.284 nan 8.230 nan 0.000 0.431 1034 L N -0.524 120.566 121.223 -0.221 0.000 2.072 1034 L HA -0.211 4.114 4.340 -0.026 0.000 0.205 1034 L C 2.214 178.933 176.870 -0.250 0.000 1.079 1034 L CA 1.618 56.286 54.840 -0.287 0.000 0.752 1034 L CB -0.703 41.201 42.059 -0.259 0.000 0.906 1034 L HN 0.395 nan 8.230 nan 0.000 0.436 1035 N N -0.349 118.253 118.700 -0.164 0.000 2.094 1035 N HA -0.219 4.505 4.740 -0.026 0.000 0.191 1035 N C 2.028 177.470 175.510 -0.113 0.000 1.023 1035 N CA 1.616 54.597 53.050 -0.114 0.000 0.857 1035 N CB -0.071 38.379 38.487 -0.061 0.000 1.013 1035 N HN 0.370 nan 8.380 nan 0.000 0.426 1036 S N 1.233 116.860 115.700 -0.123 0.000 2.356 1036 S HA -0.113 4.342 4.470 -0.026 0.000 0.223 1036 S C 1.991 176.488 174.600 -0.172 0.000 1.032 1036 S CA 0.598 58.724 58.200 -0.123 0.000 1.005 1036 S CB -0.649 62.481 63.200 -0.117 0.000 0.867 1036 S HN 0.156 nan 8.310 nan 0.000 0.449 1037 L N 1.803 122.873 121.223 -0.256 0.000 2.043 1037 L HA -0.061 4.264 4.340 -0.026 0.000 0.212 1037 L C 2.631 179.335 176.870 -0.277 0.000 1.075 1037 L CA 1.212 55.849 54.840 -0.340 0.000 0.752 1037 L CB -1.271 40.465 42.059 -0.539 0.000 0.891 1037 L HN 0.525 nan 8.230 nan 0.000 0.432 1038 C N -1.376 117.767 119.300 -0.262 0.000 2.413 1038 C HA -0.166 4.279 4.460 -0.026 0.000 0.277 1038 C C 2.634 177.659 174.990 0.059 0.000 1.265 1038 C CA 1.376 60.294 59.018 -0.167 0.000 1.752 1038 C CB -1.270 26.400 27.740 -0.116 0.000 1.998 1038 C HN 0.611 nan 8.230 nan 0.000 0.489 1039 T N 1.085 115.638 114.554 -0.002 0.000 2.746 1039 T HA -0.120 4.215 4.350 -0.026 0.000 0.267 1039 T C 2.144 176.848 174.700 0.007 0.000 1.039 1039 T CA 1.650 63.761 62.100 0.018 0.000 1.142 1039 T CB -0.420 68.436 68.868 -0.019 0.000 0.866 1039 T HN 0.647 nan 8.240 nan 0.000 0.444 1040 A N 1.018 123.812 122.820 -0.044 0.000 1.908 1040 A HA -0.073 4.231 4.320 -0.026 0.000 0.218 1040 A C 2.579 180.174 177.584 0.018 0.000 1.181 1040 A CA 1.473 53.481 52.037 -0.048 0.000 0.627 1040 A CB -1.061 17.866 19.000 -0.120 0.000 0.818 1040 A HN 0.360 nan 8.150 nan 0.000 0.445 1041 V N 0.090 120.040 119.914 0.061 0.000 2.407 1041 V HA -0.268 3.837 4.120 -0.026 0.000 0.248 1041 V C 2.424 178.690 176.094 0.285 0.000 1.055 1041 V CA 2.323 64.757 62.300 0.223 0.000 1.049 1041 V CB -0.662 31.273 31.823 0.187 0.000 0.662 1041 V HN 0.547 nan 8.190 nan 0.000 0.455 1042 K N 0.253 120.796 120.400 0.239 0.000 2.097 1042 K HA -0.084 4.221 4.320 -0.026 0.000 0.205 1042 K C 2.315 178.942 176.600 0.045 0.000 1.050 1042 K CA 1.397 57.769 56.287 0.141 0.000 0.938 1042 K CB -0.373 32.170 32.500 0.072 0.000 0.718 1042 K HN 0.473 nan 8.250 nan 0.000 0.442 1043 A N 1.413 124.246 122.820 0.022 0.000 1.930 1043 A HA -0.124 4.180 4.320 -0.026 0.000 0.217 1043 A C 2.099 179.645 177.584 -0.064 0.000 1.175 1043 A CA 1.192 53.214 52.037 -0.024 0.000 0.627 1043 A CB -0.520 18.463 19.000 -0.028 0.000 0.815 1043 A HN 0.156 nan 8.150 nan 0.000 0.443 1044 I N -0.856 119.669 120.570 -0.075 0.000 2.179 1044 I HA -0.216 3.939 4.170 -0.026 0.000 0.242 1044 I C 2.822 178.716 176.117 -0.373 0.000 1.088 1044 I CA 1.452 62.626 61.300 -0.210 0.000 1.357 1044 I CB -0.310 37.563 38.000 -0.211 0.000 1.051 1044 I HN 0.392 nan 8.210 nan 0.000 0.409 1045 S N 0.212 115.737 115.700 -0.291 0.000 2.374 1045 S HA -0.225 4.229 4.470 -0.026 0.000 0.227 1045 S C 2.081 176.607 174.600 -0.123 0.000 1.037 1045 S CA 2.412 60.492 58.200 -0.201 0.000 1.024 1045 S CB -0.372 62.907 63.200 0.132 0.000 0.861 1045 S HN 0.448 nan 8.310 nan 0.000 0.456 1046 T N 1.775 116.278 114.554 -0.084 0.000 2.821 1046 T HA 0.063 4.398 4.350 -0.026 0.000 0.267 1046 T C 2.048 176.693 174.700 -0.092 0.000 1.046 1046 T CA 1.223 63.281 62.100 -0.070 0.000 1.139 1046 T CB -0.617 68.218 68.868 -0.055 0.000 0.871 1046 T HN 0.528 nan 8.240 nan 0.000 0.454 1047 A N 1.023 123.773 122.820 -0.117 0.000 1.873 1047 A HA -0.024 4.280 4.320 -0.026 0.000 0.215 1047 A C 2.574 180.074 177.584 -0.140 0.000 1.186 1047 A CA 1.237 53.199 52.037 -0.124 0.000 0.616 1047 A CB -1.018 17.909 19.000 -0.122 0.000 0.823 1047 A HN 0.337 nan 8.150 nan 0.000 0.442 1048 V N 0.047 119.862 119.914 -0.166 0.000 2.407 1048 V HA -0.241 3.863 4.120 -0.026 0.000 0.248 1048 V C 2.547 178.606 176.094 -0.058 0.000 1.055 1048 V CA 2.150 64.378 62.300 -0.121 0.000 1.049 1048 V CB -0.788 30.917 31.823 -0.196 0.000 0.662 1048 V HN 0.496 nan 8.190 nan 0.000 0.455 1049 R N -0.437 120.027 120.500 -0.060 0.000 2.280 1049 R HA -0.052 4.272 4.340 -0.026 0.000 0.207 1049 R C 1.987 178.265 176.300 -0.038 0.000 1.043 1049 R CA 0.789 56.876 56.100 -0.022 0.000 1.006 1049 R CB -0.017 30.272 30.300 -0.018 0.000 0.885 1049 R HN 0.392 nan 8.270 nan 0.000 0.467 1050 K N -0.648 119.704 120.400 -0.080 0.000 2.447 1050 K HA 0.199 4.503 4.320 -0.026 0.000 0.205 1050 K C 1.288 177.773 176.600 -0.192 0.000 1.059 1050 K CA 0.147 56.370 56.287 -0.108 0.000 1.065 1050 K CB 0.592 33.032 32.500 -0.100 0.000 0.885 1050 K HN 0.013 nan 8.250 nan 0.000 0.545 1051 A N 0.772 123.438 122.820 -0.256 0.000 1.927 1051 A HA -0.166 4.139 4.320 -0.026 0.000 0.220 1051 A C 2.073 179.188 177.584 -0.782 0.000 1.185 1051 A CA 2.229 53.953 52.037 -0.522 0.000 0.639 1051 A CB -1.087 17.532 19.000 -0.635 0.000 0.820 1051 A HN 0.477 nan 8.150 nan 0.000 0.451 1052 G N -0.566 107.842 108.800 -0.655 0.000 2.443 1052 G HA2 -0.079 3.865 3.960 -0.026 0.000 0.219 1052 G HA3 -0.079 3.865 3.960 -0.026 0.000 0.219 1052 G C 1.447 176.145 174.900 -0.337 0.000 1.131 1052 G CA 1.012 45.888 45.100 -0.373 0.000 0.775 1052 G HN 0.521 nan 8.290 nan 0.000 0.547 1053 I N 0.934 121.322 120.570 -0.304 0.000 2.500 1053 I HA 0.016 4.171 4.170 -0.026 0.000 0.252 1053 I C 2.820 178.637 176.117 -0.500 0.000 1.142 1053 I CA 0.824 61.917 61.300 -0.345 0.000 1.451 1053 I CB 0.112 37.998 38.000 -0.191 0.000 1.093 1053 I HN 0.204 nan 8.210 nan 0.000 0.430 1054 A N -1.078 121.517 122.820 -0.374 0.000 2.275 1054 A HA 0.023 4.328 4.320 -0.026 0.000 0.212 1054 A C 0.528 178.027 177.584 -0.142 0.000 1.201 1054 A CA -0.013 51.886 52.037 -0.231 0.000 0.843 1054 A CB -0.509 18.396 19.000 -0.159 0.000 0.873 1054 A HN 0.562 nan 8.150 nan 0.000 0.492 1055 H N -1.544 117.430 119.070 -0.159 0.000 2.826 1055 H HA -0.130 4.412 4.556 -0.022 0.000 0.306 1055 H C 0.333 175.573 175.328 -0.147 0.000 1.235 1055 H CA 1.043 57.017 56.048 -0.125 0.000 1.150 1055 H CB -1.924 27.802 29.762 -0.061 0.000 1.409 1055 H HN 0.510 nan 8.280 nan 0.000 0.420 1056 L N -0.460 120.630 121.223 -0.223 0.000 2.667 1056 L HA 0.149 4.473 4.340 -0.026 0.000 0.232 1056 L C 0.789 177.587 176.870 -0.121 0.000 1.138 1056 L CA 0.150 54.885 54.840 -0.175 0.000 0.921 1056 L CB 0.115 42.044 42.059 -0.216 0.000 1.180 1056 L HN 0.158 nan 8.230 nan 0.000 0.487 1057 Y N 0.123 120.439 120.300 0.027 0.000 2.335 1057 Y HA 0.588 5.122 4.550 -0.025 0.000 0.323 1057 Y C 1.132 177.050 175.900 0.030 0.000 1.224 1057 Y CA -0.213 57.901 58.100 0.023 0.000 1.241 1057 Y CB 1.409 39.881 38.460 0.019 0.000 1.235 1057 Y HN 0.074 nan 8.280 nan 0.000 0.492 1058 G N 1.317 110.239 108.800 0.202 0.000 2.408 1058 G HA2 -0.086 3.859 3.960 -0.026 0.000 0.682 1058 G HA3 -0.086 3.859 3.960 -0.026 0.000 0.682 1058 G C -1.617 173.332 174.900 0.081 0.000 1.303 1058 G CA -1.189 43.980 45.100 0.115 0.000 0.966 1058 G HN 0.433 nan 8.290 nan 0.000 0.560 1059 I N 0.894 121.498 120.570 0.057 0.000 2.713 1059 I HA 0.509 4.663 4.170 -0.026 0.000 0.300 1059 I C 1.638 177.776 176.117 0.034 0.000 1.009 1059 I CA 0.353 61.678 61.300 0.043 0.000 1.305 1059 I CB 1.506 39.527 38.000 0.034 0.000 1.430 1059 I HN 1.067 nan 8.210 nan 0.000 0.546 1060 A N 3.344 126.181 122.820 0.028 0.000 2.348 1060 A HA 0.404 4.708 4.320 -0.026 0.000 0.224 1060 A C 1.086 178.678 177.584 0.014 0.000 1.227 1060 A CA 0.371 52.420 52.037 0.020 0.000 0.885 1060 A CB -0.292 18.719 19.000 0.019 0.000 0.933 1060 A HN 1.139 nan 8.150 nan 0.000 0.506 1061 G N 0.295 109.104 108.800 0.015 0.000 2.540 1061 G HA2 0.245 4.189 3.960 -0.026 0.000 0.260 1061 G HA3 0.245 4.189 3.960 -0.026 0.000 0.260 1061 G C -0.054 174.850 174.900 0.007 0.000 0.993 1061 G CA 0.767 45.873 45.100 0.010 0.000 1.327 1061 G HN 2.336 nan 8.290 nan 0.000 0.485 1062 S N -0.669 115.034 115.700 0.006 0.000 2.785 1062 S HA 0.630 5.085 4.470 -0.026 0.000 0.286 1062 S C -0.623 173.977 174.600 -0.000 0.000 0.918 1062 S CA 0.084 58.285 58.200 0.001 0.000 0.866 1062 S CB 0.874 64.073 63.200 -0.002 0.000 1.087 1062 S HN 1.586 nan 8.310 nan 0.000 0.472 1063 T N 3.315 117.865 114.554 -0.006 0.000 2.823 1063 T HA 0.683 5.017 4.350 -0.026 0.000 0.279 1063 T C 0.092 174.775 174.700 -0.028 0.000 0.998 1063 T CA -0.737 61.356 62.100 -0.011 0.000 0.994 1063 T CB 1.070 69.933 68.868 -0.008 0.000 0.960 1063 T HN 0.901 nan 8.240 nan 0.000 0.448 1064 N N 1.019 119.696 118.700 -0.040 0.000 2.447 1064 N HA 0.200 4.924 4.740 -0.026 0.000 0.271 1064 N C 1.352 176.799 175.510 -0.106 0.000 1.226 1064 N CA -0.992 52.011 53.050 -0.078 0.000 0.980 1064 N CB 0.064 38.500 38.487 -0.086 0.000 1.206 1064 N HN 0.263 nan 8.380 nan 0.000 0.558 1065 V N -0.532 119.266 119.914 -0.193 0.000 2.469 1065 V HA -0.178 3.926 4.120 -0.026 0.000 0.251 1065 V C 1.365 177.370 176.094 -0.148 0.000 1.064 1065 V CA 2.332 64.504 62.300 -0.214 0.000 1.066 1065 V CB -0.962 30.598 31.823 -0.437 0.000 0.667 1065 V HN 0.842 nan 8.190 nan 0.000 0.461 1066 T N 0.084 114.556 114.554 -0.138 0.000 3.188 1066 T HA 0.337 4.671 4.350 -0.026 0.000 0.250 1066 T C 1.082 175.769 174.700 -0.020 0.000 1.077 1066 T CA 0.774 62.846 62.100 -0.046 0.000 0.967 1066 T CB -0.457 68.413 68.868 0.003 0.000 1.006 1066 T HN 1.102 nan 8.240 nan 0.000 0.552 1067 G N 1.965 110.748 108.800 -0.029 0.000 2.147 1067 G HA2 -0.189 3.756 3.960 -0.026 0.000 0.244 1067 G HA3 -0.189 3.756 3.960 -0.026 0.000 0.244 1067 G C -0.363 174.540 174.900 0.005 0.000 1.005 1067 G CA -0.209 44.886 45.100 -0.009 0.000 0.713 1067 G HN 0.456 nan 8.290 nan 0.000 0.515 1068 D N 0.089 120.491 120.400 0.004 0.000 2.312 1068 D HA 0.467 5.092 4.640 -0.026 0.000 0.248 1068 D C 0.856 177.165 176.300 0.015 0.000 1.086 1068 D CA -0.141 53.870 54.000 0.019 0.000 0.948 1068 D CB 0.526 41.341 40.800 0.026 0.000 1.162 1068 D HN 0.335 nan 8.370 nan 0.000 0.446 1069 Q N 0.320 120.134 119.800 0.024 0.000 2.431 1069 Q HA 0.273 4.597 4.340 -0.026 0.000 0.234 1069 Q C -0.522 175.493 176.000 0.025 0.000 1.203 1069 Q CA -0.241 55.576 55.803 0.024 0.000 0.902 1069 Q CB 0.295 29.052 28.738 0.031 0.000 1.455 1069 Q HN 0.118 nan 8.270 nan 0.000 0.515 1070 V N 3.424 123.349 119.914 0.018 0.000 2.529 1070 V HA 0.027 4.131 4.120 -0.026 0.000 0.292 1070 V C 0.480 176.591 176.094 0.030 0.000 1.028 1070 V CA -0.204 62.108 62.300 0.021 0.000 1.074 1070 V CB 0.139 31.969 31.823 0.011 0.000 0.958 1070 V HN 0.543 nan 8.190 nan 0.000 0.481 1071 K N 3.633 124.056 120.400 0.039 0.000 2.095 1071 K HA 0.355 4.659 4.320 -0.026 0.000 0.252 1071 K C 0.859 177.486 176.600 0.045 0.000 0.977 1071 K CA -0.861 55.456 56.287 0.050 0.000 0.900 1071 K CB 1.233 33.773 32.500 0.066 0.000 1.060 1071 K HN 0.433 nan 8.250 nan 0.000 0.449 1072 K N 0.859 121.289 120.400 0.049 0.000 2.113 1072 K HA -0.094 4.211 4.320 -0.026 0.000 0.208 1072 K C 1.726 178.341 176.600 0.025 0.000 1.047 1072 K CA 1.342 57.649 56.287 0.034 0.000 0.928 1072 K CB -0.079 32.441 32.500 0.033 0.000 0.716 1072 K HN 0.391 nan 8.250 nan 0.000 0.446 1073 L N 0.361 121.607 121.223 0.039 0.000 2.395 1073 L HA -0.121 4.203 4.340 -0.026 0.000 0.218 1073 L C 1.507 178.396 176.870 0.031 0.000 1.130 1073 L CA 0.503 55.357 54.840 0.023 0.000 0.826 1073 L CB -0.167 41.914 42.059 0.036 0.000 0.941 1073 L HN 0.231 nan 8.230 nan 0.000 0.451 1074 D N -0.291 120.134 120.400 0.043 0.000 2.117 1074 D HA -0.149 4.475 4.640 -0.026 0.000 0.197 1074 D C 2.256 178.580 176.300 0.040 0.000 0.987 1074 D CA 1.233 55.261 54.000 0.047 0.000 0.829 1074 D CB 0.073 40.897 40.800 0.041 0.000 0.961 1074 D HN 0.135 nan 8.370 nan 0.000 0.460 1075 V N 1.318 121.249 119.914 0.028 0.000 2.379 1075 V HA -0.179 3.926 4.120 -0.026 0.000 0.245 1075 V C 2.435 178.541 176.094 0.019 0.000 1.044 1075 V CA 0.839 63.153 62.300 0.023 0.000 1.036 1075 V CB -0.385 31.447 31.823 0.015 0.000 0.664 1075 V HN 0.110 nan 8.190 nan 0.000 0.453 1076 L N 0.505 121.734 121.223 0.009 0.000 2.017 1076 L HA -0.127 4.198 4.340 -0.026 0.000 0.208 1076 L C 2.488 179.356 176.870 -0.003 0.000 1.073 1076 L CA 2.331 57.168 54.840 -0.005 0.000 0.745 1076 L CB -0.860 41.186 42.059 -0.021 0.000 0.894 1076 L HN 0.299 nan 8.230 nan 0.000 0.432 1077 S N -0.100 115.604 115.700 0.007 0.000 2.368 1077 S HA -0.186 4.268 4.470 -0.026 0.000 0.225 1077 S C 1.818 176.444 174.600 0.044 0.000 1.030 1077 S CA 1.379 59.589 58.200 0.017 0.000 0.999 1077 S CB -0.733 62.492 63.200 0.042 0.000 0.844 1077 S HN 0.604 nan 8.310 nan 0.000 0.459 1078 N N 1.724 120.473 118.700 0.083 0.000 2.069 1078 N HA -0.142 4.583 4.740 -0.026 0.000 0.191 1078 N C 1.177 176.743 175.510 0.093 0.000 1.031 1078 N CA 1.641 54.780 53.050 0.147 0.000 0.852 1078 N CB -0.386 38.174 38.487 0.122 0.000 1.018 1078 N HN 0.166 nan 8.380 nan 0.000 0.423 1079 D N 0.025 120.451 120.400 0.043 0.000 2.104 1079 D HA -0.128 4.496 4.640 -0.026 0.000 0.194 1079 D C 2.063 178.353 176.300 -0.016 0.000 0.994 1079 D CA 0.717 54.726 54.000 0.015 0.000 0.830 1079 D CB -0.380 40.423 40.800 0.004 0.000 0.959 1079 D HN 0.309 nan 8.370 nan 0.000 0.452 1080 L N 0.178 121.383 121.223 -0.030 0.000 2.017 1080 L HA -0.171 4.154 4.340 -0.026 0.000 0.208 1080 L C 2.545 179.350 176.870 -0.107 0.000 1.073 1080 L CA 0.771 55.576 54.840 -0.059 0.000 0.745 1080 L CB -0.330 41.698 42.059 -0.052 0.000 0.894 1080 L HN -0.034 nan 8.230 nan 0.000 0.432 1081 V N -0.122 119.700 119.914 -0.154 0.000 2.358 1081 V HA -0.264 3.840 4.120 -0.026 0.000 0.246 1081 V C 2.291 178.205 176.094 -0.300 0.000 1.047 1081 V CA 1.623 63.723 62.300 -0.334 0.000 1.035 1081 V CB -0.304 31.120 31.823 -0.664 0.000 0.658 1081 V HN 0.303 nan 8.190 nan 0.000 0.452 1082 I N 0.622 121.111 120.570 -0.134 0.000 2.163 1082 I HA -0.268 3.886 4.170 -0.026 0.000 0.243 1082 I C 2.447 178.524 176.117 -0.066 0.000 1.085 1082 I CA 1.669 62.954 61.300 -0.025 0.000 1.347 1082 I CB -0.553 37.493 38.000 0.078 0.000 1.044 1082 I HN 0.360 nan 8.210 nan 0.000 0.408 1083 N N 0.608 119.266 118.700 -0.069 0.000 2.120 1083 N HA -0.140 4.585 4.740 -0.026 0.000 0.188 1083 N C 1.946 177.392 175.510 -0.105 0.000 1.024 1083 N CA 1.871 54.876 53.050 -0.076 0.000 0.852 1083 N CB -0.536 37.915 38.487 -0.059 0.000 1.003 1083 N HN 0.431 nan 8.380 nan 0.000 0.424 1084 V N -0.903 118.938 119.914 -0.122 0.000 2.548 1084 V HA -0.031 4.073 4.120 -0.026 0.000 0.249 1084 V C 2.148 178.152 176.094 -0.149 0.000 1.055 1084 V CA 1.106 63.327 62.300 -0.131 0.000 1.065 1084 V CB -0.807 30.936 31.823 -0.133 0.000 0.681 1084 V HN 0.102 nan 8.190 nan 0.000 0.462 1085 L N -0.357 120.768 121.223 -0.162 0.000 2.072 1085 L HA -0.068 4.257 4.340 -0.026 0.000 0.205 1085 L C 2.877 179.674 176.870 -0.121 0.000 1.079 1085 L CA 1.842 56.597 54.840 -0.141 0.000 0.752 1085 L CB -0.617 41.358 42.059 -0.140 0.000 0.906 1085 L HN 0.257 nan 8.230 nan 0.000 0.436 1086 K N -0.419 119.908 120.400 -0.122 0.000 2.044 1086 K HA -0.172 4.133 4.320 -0.026 0.000 0.210 1086 K C 2.192 178.618 176.600 -0.290 0.000 1.049 1086 K CA 1.696 57.891 56.287 -0.153 0.000 0.927 1086 K CB -0.213 32.214 32.500 -0.122 0.000 0.713 1086 K HN 0.045 nan 8.250 nan 0.000 0.443 1087 S N 0.329 115.857 115.700 -0.286 0.000 2.562 1087 S HA -0.033 4.422 4.470 -0.026 0.000 0.221 1087 S C 1.703 176.043 174.600 -0.433 0.000 0.975 1087 S CA 0.750 58.694 58.200 -0.427 0.000 0.918 1087 S CB -0.049 63.012 63.200 -0.232 0.000 0.772 1087 S HN 0.408 nan 8.310 nan 0.000 0.531 1088 S N 0.627 116.183 115.700 -0.240 0.000 2.447 1088 S HA -0.041 4.414 4.470 -0.026 0.000 0.233 1088 S C 0.751 175.409 174.600 0.097 0.000 1.006 1088 S CA 0.418 58.583 58.200 -0.059 0.000 0.957 1088 S CB -0.858 62.314 63.200 -0.048 0.000 0.773 1088 S HN 0.450 nan 8.310 nan 0.000 0.507 1089 F N -0.235 119.719 119.950 0.006 0.000 3.069 1089 F HA -0.276 4.235 4.527 -0.027 0.000 0.285 1089 F C 1.299 177.120 175.800 0.035 0.000 0.827 1089 F CA 0.381 58.391 58.000 0.016 0.000 1.108 1089 F CB -1.814 37.191 39.000 0.010 0.000 1.252 1089 F HN 0.434 nan 8.300 nan 0.000 0.483 1090 A N -1.244 121.676 122.820 0.165 0.000 2.469 1090 A HA 0.471 4.775 4.320 -0.026 0.000 0.245 1090 A C 0.989 178.697 177.584 0.206 0.000 1.221 1090 A CA 0.797 52.955 52.037 0.202 0.000 0.946 1090 A CB 0.212 19.336 19.000 0.207 0.000 1.049 1090 A HN 0.404 nan 8.150 nan 0.000 0.529 1091 T N -4.233 110.394 114.554 0.122 0.000 2.916 1091 T HA 0.464 4.799 4.350 -0.026 0.000 0.292 1091 T C 0.543 175.288 174.700 0.075 0.000 1.055 1091 T CA -0.019 62.153 62.100 0.119 0.000 1.009 1091 T CB 1.462 70.386 68.868 0.092 0.000 1.118 1091 T HN 0.689 nan 8.240 nan 0.000 0.497 1092 C N 0.070 119.416 119.300 0.075 0.000 3.685 1092 C HA 0.661 5.105 4.460 -0.026 0.000 0.513 1092 C C -0.110 174.910 174.990 0.049 0.000 1.448 1092 C CA -0.332 58.715 59.018 0.049 0.000 2.275 1092 C CB -0.527 27.232 27.740 0.032 0.000 3.373 1092 C HN 0.671 nan 8.230 nan 0.000 0.627 1093 V N 2.467 122.423 119.914 0.069 0.000 2.686 1093 V HA 0.570 4.675 4.120 -0.026 0.000 0.306 1093 V C -0.887 175.266 176.094 0.097 0.000 1.065 1093 V CA -0.182 62.157 62.300 0.064 0.000 0.894 1093 V CB 1.823 33.674 31.823 0.046 0.000 1.004 1093 V HN 0.399 nan 8.190 nan 0.000 0.424 1094 L N 4.755 126.033 121.223 0.093 0.000 2.365 1094 L HA 0.764 5.088 4.340 -0.026 0.000 0.273 1094 L C -0.863 176.031 176.870 0.041 0.000 1.000 1094 L CA -0.918 54.008 54.840 0.142 0.000 0.819 1094 L CB 2.220 44.415 42.059 0.226 0.000 1.284 1094 L HN 0.328 nan 8.230 nan 0.000 0.418 1095 V N 1.633 121.530 119.914 -0.027 0.000 2.487 1095 V HA 0.465 4.570 4.120 -0.026 0.000 0.298 1095 V C -0.258 175.498 176.094 -0.564 0.000 1.028 1095 V CA -0.276 61.918 62.300 -0.176 0.000 0.860 1095 V CB 1.999 33.774 31.823 -0.081 0.000 0.991 1095 V HN 0.819 nan 8.190 nan 0.000 0.427 1096 S N 2.556 117.862 115.700 -0.657 0.000 2.513 1096 S HA 0.346 4.801 4.470 -0.026 0.000 0.299 1096 S C 0.928 175.093 174.600 -0.725 0.000 1.087 1096 S CA -0.421 57.152 58.200 -1.044 0.000 1.012 1096 S CB 1.824 64.532 63.200 -0.821 0.000 1.044 1096 S HN 0.916 nan 8.310 nan 0.000 0.485 1097 E N 1.940 121.502 120.200 -1.063 0.000 2.147 1097 E HA -0.201 4.133 4.350 -0.026 0.000 0.199 1097 E C 0.548 177.003 176.600 -0.242 0.000 1.005 1097 E CA 1.458 57.431 56.400 -0.711 0.000 0.810 1097 E CB 0.028 29.432 29.700 -0.493 0.000 0.736 1097 E HN 0.656 nan 8.360 nan 0.000 0.460 1098 E N 0.732 120.804 120.200 -0.214 0.000 2.489 1098 E HA 0.048 4.383 4.350 -0.026 0.000 0.193 1098 E C -0.615 175.937 176.600 -0.080 0.000 1.057 1098 E CA 0.409 56.743 56.400 -0.110 0.000 0.866 1098 E CB 0.105 29.771 29.700 -0.057 0.000 0.916 1098 E HN 0.319 nan 8.360 nan 0.000 0.500 1099 D N 0.026 120.386 120.400 -0.067 0.000 2.502 1099 D HA 0.108 4.733 4.640 -0.026 0.000 0.249 1099 D C 0.836 177.180 176.300 0.074 0.000 1.092 1099 D CA -0.412 53.581 54.000 -0.012 0.000 0.839 1099 D CB 2.191 42.982 40.800 -0.015 0.000 1.264 1099 D HN -0.248 nan 8.370 nan 0.000 0.511 1100 K N 1.765 122.190 120.400 0.042 0.000 2.063 1100 K HA -0.120 4.185 4.320 -0.026 0.000 0.208 1100 K C -0.229 176.493 176.600 0.203 0.000 1.048 1100 K CA 1.206 57.544 56.287 0.086 0.000 0.928 1100 K CB 0.102 32.617 32.500 0.023 0.000 0.713 1100 K HN 0.384 nan 8.250 nan 0.000 0.442 1101 N N -0.924 117.839 118.700 0.105 0.000 2.362 1101 N HA 0.353 5.078 4.740 -0.026 0.000 0.299 1101 N C -1.525 174.001 175.510 0.027 0.000 1.170 1101 N CA -0.483 52.605 53.050 0.064 0.000 0.825 1101 N CB 1.775 40.284 38.487 0.037 0.000 1.299 1101 N HN 0.223 nan 8.380 nan 0.000 0.502 1102 A N 0.948 123.766 122.820 -0.003 0.000 2.555 1102 A HA 0.143 4.448 4.320 -0.026 0.000 0.233 1102 A C -0.121 177.466 177.584 0.006 0.000 1.060 1102 A CA 0.322 52.352 52.037 -0.012 0.000 0.759 1102 A CB -0.392 18.599 19.000 -0.015 0.000 0.995 1102 A HN 0.621 nan 8.150 nan 0.000 0.506 1103 I N 3.148 123.727 120.570 0.014 0.000 2.321 1103 I HA 0.183 4.337 4.170 -0.026 0.000 0.291 1103 I C -0.464 175.670 176.117 0.029 0.000 0.998 1103 I CA -0.493 60.823 61.300 0.026 0.000 1.227 1103 I CB 1.036 39.062 38.000 0.043 0.000 1.368 1103 I HN 0.368 nan 8.210 nan 0.000 0.466 1104 I N 7.396 127.979 120.570 0.021 0.000 2.312 1104 I HA 0.200 4.354 4.170 -0.026 0.000 0.291 1104 I C 0.417 176.544 176.117 0.017 0.000 1.031 1104 I CA -0.583 60.728 61.300 0.019 0.000 1.293 1104 I CB 0.862 38.870 38.000 0.013 0.000 1.403 1104 I HN 0.160 nan 8.210 nan 0.000 0.484 1105 V N 6.662 126.587 119.914 0.019 0.000 2.740 1105 V HA -0.014 4.091 4.120 -0.026 0.000 0.303 1105 V C 0.691 176.790 176.094 0.008 0.000 1.054 1105 V CA -0.552 61.754 62.300 0.009 0.000 1.106 1105 V CB 0.204 32.032 31.823 0.008 0.000 0.957 1105 V HN 0.683 nan 8.190 nan 0.000 0.486 1106 E N 6.026 126.226 120.200 0.000 0.000 2.415 1106 E HA 0.076 4.411 4.350 -0.026 0.000 0.262 1106 E C -1.777 174.835 176.600 0.021 0.000 1.038 1106 E CA -1.036 55.369 56.400 0.008 0.000 0.921 1106 E CB -0.130 29.571 29.700 0.003 0.000 0.950 1106 E HN 0.392 nan 8.360 nan 0.000 0.438 1107 P HA -0.258 nan 4.420 nan 0.000 0.216 1107 P C 0.772 178.107 177.300 0.059 0.000 1.154 1107 P CA 1.411 64.532 63.100 0.035 0.000 0.865 1107 P CB 0.124 31.841 31.700 0.028 0.000 0.789 1108 E N -0.220 120.022 120.200 0.069 0.000 2.478 1108 E HA -0.105 4.230 4.350 -0.026 0.000 0.198 1108 E C 0.946 177.673 176.600 0.211 0.000 1.046 1108 E CA 0.980 57.449 56.400 0.116 0.000 0.870 1108 E CB -0.371 29.395 29.700 0.110 0.000 0.818 1108 E HN 0.297 nan 8.360 nan 0.000 0.527 1109 K N 0.498 120.975 120.400 0.129 0.000 2.413 1109 K HA 0.222 4.526 4.320 -0.026 0.000 0.204 1109 K C 0.181 176.842 176.600 0.102 0.000 1.041 1109 K CA -0.271 56.074 56.287 0.096 0.000 1.082 1109 K CB 0.832 33.223 32.500 -0.181 0.000 0.871 1109 K HN -0.107 nan 8.250 nan 0.000 0.535 1110 R N 0.370 120.934 120.500 0.107 0.000 2.543 1110 R HA 0.251 4.576 4.340 -0.026 0.000 0.277 1110 R C 0.373 176.737 176.300 0.106 0.000 1.074 1110 R CA 0.061 56.209 56.100 0.081 0.000 1.076 1110 R CB 0.981 31.313 30.300 0.053 0.000 0.993 1110 R HN 0.167 nan 8.270 nan 0.000 0.459 1111 G N 0.393 109.244 108.800 0.086 0.000 3.042 1111 G HA2 0.196 4.140 3.960 -0.026 0.000 0.278 1111 G HA3 0.196 4.140 3.960 -0.026 0.000 0.278 1111 G C -0.127 174.769 174.900 -0.006 0.000 1.371 1111 G CA -0.683 44.459 45.100 0.069 0.000 1.009 1111 G HN 0.629 nan 8.290 nan 0.000 0.523 1112 K N -1.500 118.820 120.400 -0.134 0.000 2.459 1112 K HA 0.156 4.460 4.320 -0.026 0.000 0.193 1112 K C -0.568 175.828 176.600 -0.339 0.000 1.030 1112 K CA 0.385 56.499 56.287 -0.289 0.000 1.026 1112 K CB -0.093 32.133 32.500 -0.457 0.000 0.809 1112 K HN 0.325 nan 8.250 nan 0.000 0.504 1113 Y N 0.760 121.089 120.300 0.049 0.000 2.352 1113 Y HA 0.345 4.880 4.550 -0.025 0.000 0.326 1113 Y C -0.068 175.878 175.900 0.077 0.000 1.166 1113 Y CA -1.292 56.845 58.100 0.062 0.000 1.182 1113 Y CB 1.715 40.202 38.460 0.045 0.000 1.216 1113 Y HN -0.314 nan 8.280 nan 0.000 0.474 1114 V N 3.914 124.007 119.914 0.299 0.000 2.370 1114 V HA 0.442 4.546 4.120 -0.026 0.000 0.283 1114 V C -0.609 175.659 176.094 0.289 0.000 1.023 1114 V CA -0.820 61.628 62.300 0.247 0.000 0.857 1114 V CB 1.183 33.135 31.823 0.214 0.000 0.985 1114 V HN 0.504 nan 8.190 nan 0.000 0.443 1115 V N 3.884 123.948 119.914 0.250 0.000 2.448 1115 V HA 0.397 4.501 4.120 -0.026 0.000 0.295 1115 V C -0.189 176.105 176.094 0.334 0.000 1.025 1115 V CA -0.505 61.964 62.300 0.281 0.000 0.859 1115 V CB 1.725 33.684 31.823 0.228 0.000 0.988 1115 V HN 0.953 nan 8.190 nan 0.000 0.431 1116 C N 6.420 125.922 119.300 0.337 0.000 2.295 1116 C HA 0.867 5.312 4.460 -0.026 0.000 0.331 1116 C C -0.197 175.010 174.990 0.361 0.000 1.280 1116 C CA -0.758 58.424 59.018 0.275 0.000 1.746 1116 C CB -0.602 27.319 27.740 0.301 0.000 2.328 1116 C HN 0.845 nan 8.230 nan 0.000 0.521 1117 F N 0.542 120.577 119.950 0.141 0.000 2.645 1117 F HA 0.662 5.174 4.527 -0.024 0.000 0.310 1117 F C -1.056 174.735 175.800 -0.016 0.000 1.102 1117 F CA -1.111 56.970 58.000 0.136 0.000 0.952 1117 F CB 1.046 40.120 39.000 0.123 0.000 1.326 1117 F HN 0.329 nan 8.300 nan 0.000 0.456 1118 D N 3.351 123.911 120.400 0.267 0.000 2.427 1118 D HA 0.405 5.030 4.640 -0.026 0.000 0.226 1118 D C -1.932 174.551 176.300 0.304 0.000 1.076 1118 D CA -2.745 51.344 54.000 0.148 0.000 0.849 1118 D CB 2.010 42.952 40.800 0.236 0.000 1.052 1118 D HN 0.275 nan 8.370 nan 0.000 0.515 1119 P HA 0.015 nan 4.420 nan 0.000 0.219 1119 P C 0.125 177.561 177.300 0.226 0.000 1.150 1119 P CA 0.235 63.532 63.100 0.328 0.000 0.814 1119 P CB 0.740 32.627 31.700 0.313 0.000 0.787 1120 L N 0.133 121.466 121.223 0.184 0.000 2.491 1120 L HA 0.453 4.777 4.340 -0.026 0.000 0.267 1120 L C -1.452 175.505 176.870 0.146 0.000 0.971 1120 L CA -0.731 54.213 54.840 0.174 0.000 0.857 1120 L CB 1.963 44.098 42.059 0.126 0.000 1.226 1120 L HN -0.300 nan 8.230 nan 0.000 0.408 1121 D N 3.574 124.063 120.400 0.149 0.000 2.217 1121 D HA 0.689 5.313 4.640 -0.026 0.000 0.243 1121 D C 0.611 176.959 176.300 0.081 0.000 1.054 1121 D CA 0.589 54.651 54.000 0.104 0.000 0.838 1121 D CB 1.605 42.451 40.800 0.077 0.000 1.162 1121 D HN 0.873 nan 8.370 nan 0.000 0.472 1122 G N 2.240 111.079 108.800 0.065 0.000 2.226 1122 G HA2 -0.222 3.723 3.960 -0.026 0.000 0.176 1122 G HA3 -0.222 3.723 3.960 -0.026 0.000 0.176 1122 G C 0.949 175.884 174.900 0.058 0.000 1.042 1122 G CA 0.171 45.301 45.100 0.049 0.000 0.732 1122 G HN 0.419 nan 8.290 nan 0.000 0.494 1123 S N 0.210 115.950 115.700 0.067 0.000 2.442 1123 S HA -0.112 4.343 4.470 -0.026 0.000 0.236 1123 S C 2.587 177.217 174.600 0.050 0.000 1.007 1123 S CA 1.828 60.066 58.200 0.063 0.000 0.965 1123 S CB -0.126 63.112 63.200 0.064 0.000 0.773 1123 S HN 1.522 nan 8.310 nan 0.000 0.504 1124 S N 1.932 117.664 115.700 0.053 0.000 2.453 1124 S HA 0.050 4.505 4.470 -0.026 0.000 0.231 1124 S C 1.332 175.945 174.600 0.021 0.000 1.005 1124 S CA 0.636 58.863 58.200 0.045 0.000 0.949 1124 S CB -0.217 63.025 63.200 0.070 0.000 0.774 1124 S HN 0.358 nan 8.310 nan 0.000 0.510 1125 N N 0.860 119.571 118.700 0.017 0.000 2.280 1125 N HA 0.364 5.089 4.740 -0.026 0.000 0.192 1125 N C 1.222 176.720 175.510 -0.020 0.000 1.109 1125 N CA 0.085 53.133 53.050 -0.003 0.000 0.855 1125 N CB -0.135 38.353 38.487 0.002 0.000 0.974 1125 N HN 0.472 nan 8.380 nan 0.000 0.482 1126 I N 0.804 121.368 120.570 -0.011 0.000 2.113 1126 I HA -0.258 3.896 4.170 -0.026 0.000 0.238 1126 I C 1.322 177.318 176.117 -0.201 0.000 1.070 1126 I CA 1.320 62.611 61.300 -0.016 0.000 1.332 1126 I CB -0.068 37.966 38.000 0.056 0.000 1.044 1126 I HN -0.067 nan 8.210 nan 0.000 0.402 1127 D N 0.253 120.487 120.400 -0.278 0.000 2.264 1127 D HA -0.115 4.509 4.640 -0.026 0.000 0.208 1127 D C 1.808 177.866 176.300 -0.402 0.000 0.966 1127 D CA 1.028 54.711 54.000 -0.528 0.000 0.864 1127 D CB -0.242 40.391 40.800 -0.278 0.000 0.933 1127 D HN 0.520 nan 8.370 nan 0.000 0.499 1128 C N -0.911 118.263 119.300 -0.211 0.000 2.693 1128 C HA 0.433 4.878 4.460 -0.026 0.000 0.286 1128 C C 1.022 175.955 174.990 -0.096 0.000 1.277 1128 C CA -0.676 58.264 59.018 -0.131 0.000 1.705 1128 C CB -1.197 26.502 27.740 -0.069 0.000 1.879 1128 C HN 0.171 nan 8.230 nan 0.000 0.607 1129 L N -0.499 120.655 121.223 -0.115 0.000 4.496 1129 L HA -0.154 4.171 4.340 -0.026 0.000 0.419 1129 L C 0.553 177.422 176.870 -0.001 0.000 1.139 1129 L CA 0.630 55.450 54.840 -0.033 0.000 0.975 1129 L CB -2.289 39.765 42.059 -0.010 0.000 2.099 1129 L HN 0.452 nan 8.230 nan 0.000 0.818 1130 V N -0.189 119.719 119.914 -0.009 0.000 3.003 1130 V HA 0.383 4.488 4.120 -0.026 0.000 0.305 1130 V C 1.280 177.387 176.094 0.022 0.000 1.078 1130 V CA -0.005 62.297 62.300 0.003 0.000 1.083 1130 V CB 1.639 33.457 31.823 -0.007 0.000 1.039 1130 V HN 0.524 nan 8.190 nan 0.000 0.481 1131 S N 4.682 120.395 115.700 0.020 0.000 2.558 1131 S HA 0.327 4.781 4.470 -0.026 0.000 0.293 1131 S C -0.366 174.259 174.600 0.043 0.000 1.292 1131 S CA -0.252 57.970 58.200 0.036 0.000 1.063 1131 S CB -0.167 63.035 63.200 0.003 0.000 0.831 1131 S HN 0.692 nan 8.310 nan 0.000 0.499 1132 I N -1.180 119.455 120.570 0.108 0.000 3.322 1132 I HA 1.032 5.187 4.170 -0.026 0.000 0.313 1132 I C 0.266 176.493 176.117 0.182 0.000 1.129 1132 I CA -1.391 59.992 61.300 0.138 0.000 0.963 1132 I CB 1.796 39.898 38.000 0.170 0.000 1.273 1132 I HN 0.828 nan 8.210 nan 0.000 0.473 1133 G N 0.134 109.048 108.800 0.190 0.000 2.619 1133 G HA2 0.612 4.557 3.960 -0.026 0.000 0.305 1133 G HA3 0.612 4.557 3.960 -0.026 0.000 0.305 1133 G C -1.728 173.291 174.900 0.199 0.000 1.330 1133 G CA -0.493 44.627 45.100 0.033 0.000 0.789 1133 G HN 0.675 nan 8.290 nan 0.000 0.487 1134 T N 0.467 115.097 114.554 0.125 0.000 2.886 1134 T HA 0.649 4.983 4.350 -0.026 0.000 0.292 1134 T C -0.576 174.272 174.700 0.248 0.000 1.012 1134 T CA -0.143 62.098 62.100 0.236 0.000 0.982 1134 T CB 1.265 70.300 68.868 0.278 0.000 1.018 1134 T HN 0.444 nan 8.240 nan 0.000 0.451 1135 I N 3.964 124.702 120.570 0.280 0.000 2.509 1135 I HA 0.709 4.864 4.170 -0.026 0.000 0.293 1135 I C -0.997 175.322 176.117 0.336 0.000 1.020 1135 I CA -1.160 60.278 61.300 0.229 0.000 1.088 1135 I CB 1.670 39.760 38.000 0.149 0.000 1.267 1135 I HN 0.652 nan 8.210 nan 0.000 0.430 1136 F N 2.521 122.557 119.950 0.143 0.000 2.631 1136 F HA 0.942 5.453 4.527 -0.027 0.000 0.308 1136 F C -0.444 175.387 175.800 0.052 0.000 1.097 1136 F CA -0.967 57.113 58.000 0.133 0.000 0.952 1136 F CB 1.637 40.674 39.000 0.060 0.000 1.307 1136 F HN 0.420 nan 8.300 nan 0.000 0.450 1137 G N 2.035 110.947 108.800 0.188 0.000 2.662 1137 G HA2 0.691 4.635 3.960 -0.026 0.000 0.302 1137 G HA3 0.691 4.635 3.960 -0.026 0.000 0.302 1137 G C -1.945 172.940 174.900 -0.026 0.000 1.389 1137 G CA -0.934 44.136 45.100 -0.051 0.000 0.998 1137 G HN 0.785 nan 8.290 nan 0.000 0.502 1138 I N 1.292 121.726 120.570 -0.226 0.000 2.465 1138 I HA 0.438 4.592 4.170 -0.026 0.000 0.291 1138 I C -1.017 174.900 176.117 -0.333 0.000 1.014 1138 I CA -0.833 60.379 61.300 -0.146 0.000 1.093 1138 I CB 1.953 39.878 38.000 -0.126 0.000 1.267 1138 I HN 0.401 nan 8.210 nan 0.000 0.431 1139 Y N 4.065 124.435 120.300 0.117 0.000 2.549 1139 Y HA 0.599 5.134 4.550 -0.025 0.000 0.339 1139 Y C 0.049 176.100 175.900 0.252 0.000 1.053 1139 Y CA -0.937 57.240 58.100 0.128 0.000 1.105 1139 Y CB 1.494 39.996 38.460 0.071 0.000 1.258 1139 Y HN 0.342 nan 8.280 nan 0.000 0.478 1140 R N 1.456 122.157 120.500 0.336 0.000 2.368 1140 R HA 0.277 4.602 4.340 -0.026 0.000 0.302 1140 R C -0.354 175.994 176.300 0.081 0.000 1.002 1140 R CA -1.083 55.088 56.100 0.118 0.000 0.929 1140 R CB 1.216 31.532 30.300 0.027 0.000 1.073 1140 R HN 0.465 nan 8.270 nan 0.000 0.464 1141 K N 2.581 122.979 120.400 -0.002 0.000 2.401 1141 K HA -0.022 4.282 4.320 -0.026 0.000 0.278 1141 K C -0.259 176.333 176.600 -0.013 0.000 1.018 1141 K CA -0.012 56.275 56.287 -0.000 0.000 0.981 1141 K CB 0.680 33.170 32.500 -0.016 0.000 0.933 1141 K HN 0.477 nan 8.250 nan 0.000 0.477 1142 N N 1.204 119.900 118.700 -0.007 0.000 2.319 1142 N HA -0.088 4.637 4.740 -0.026 0.000 0.189 1142 N C 0.211 175.714 175.510 -0.012 0.000 1.042 1142 N CA 0.750 53.796 53.050 -0.006 0.000 0.879 1142 N CB -0.631 37.853 38.487 -0.004 0.000 1.052 1142 N HN 0.742 nan 8.380 nan 0.000 0.446 1143 S N -0.468 115.224 115.700 -0.014 0.000 2.572 1143 S HA 0.036 4.490 4.470 -0.026 0.000 0.262 1143 S C 0.881 175.473 174.600 -0.014 0.000 1.375 1143 S CA 0.210 58.402 58.200 -0.013 0.000 0.996 1143 S CB 0.502 63.693 63.200 -0.015 0.000 0.892 1143 S HN 0.289 nan 8.310 nan 0.000 0.562 1144 T N 0.068 114.616 114.554 -0.011 0.000 3.023 1144 T HA 0.180 4.515 4.350 -0.026 0.000 0.253 1144 T C -0.127 174.568 174.700 -0.008 0.000 1.038 1144 T CA -0.203 61.891 62.100 -0.010 0.000 0.962 1144 T CB -0.198 68.665 68.868 -0.009 0.000 1.018 1144 T HN 0.571 nan 8.240 nan 0.000 0.521 1145 D N 2.573 122.968 120.400 -0.009 0.000 2.378 1145 D HA 0.051 4.675 4.640 -0.026 0.000 0.238 1145 D C 0.607 176.903 176.300 -0.006 0.000 1.180 1145 D CA 0.279 54.275 54.000 -0.007 0.000 0.895 1145 D CB 0.636 41.431 40.800 -0.009 0.000 1.192 1145 D HN 0.227 nan 8.370 nan 0.000 0.438 1146 E N 1.406 121.604 120.200 -0.004 0.000 2.413 1146 E HA 0.041 4.375 4.350 -0.026 0.000 0.263 1146 E C -1.939 174.660 176.600 -0.002 0.000 1.015 1146 E CA -1.071 55.328 56.400 -0.002 0.000 0.916 1146 E CB 0.380 30.081 29.700 0.000 0.000 0.947 1146 E HN 0.181 nan 8.360 nan 0.000 0.440 1147 P HA -0.090 nan 4.420 nan 0.000 0.265 1147 P C -0.606 176.694 177.300 0.000 0.000 1.187 1147 P CA 0.408 63.509 63.100 0.001 0.000 0.766 1147 P CB 0.673 32.378 31.700 0.009 0.000 0.820 1148 S N -0.311 115.387 115.700 -0.004 0.000 2.661 1148 S HA 0.171 4.625 4.470 -0.026 0.000 0.268 1148 S C 0.941 175.533 174.600 -0.013 0.000 1.162 1148 S CA -0.716 57.480 58.200 -0.006 0.000 0.817 1148 S CB 1.207 64.402 63.200 -0.008 0.000 1.141 1148 S HN 0.402 nan 8.310 nan 0.000 0.477 1149 E N 1.060 121.251 120.200 -0.015 0.000 2.171 1149 E HA -0.227 4.107 4.350 -0.026 0.000 0.197 1149 E C 1.811 178.387 176.600 -0.041 0.000 0.997 1149 E CA 1.715 58.099 56.400 -0.027 0.000 0.810 1149 E CB -0.246 29.439 29.700 -0.024 0.000 0.738 1149 E HN 0.650 nan 8.360 nan 0.000 0.467 1150 K N 0.159 120.537 120.400 -0.037 0.000 2.283 1150 K HA -0.157 4.148 4.320 -0.026 0.000 0.202 1150 K C 1.184 177.745 176.600 -0.065 0.000 1.048 1150 K CA 1.628 57.886 56.287 -0.049 0.000 0.948 1150 K CB 0.097 32.575 32.500 -0.037 0.000 0.742 1150 K HN 0.040 nan 8.250 nan 0.000 0.458 1151 D N 1.184 121.552 120.400 -0.054 0.000 2.310 1151 D HA -0.072 4.553 4.640 -0.026 0.000 0.212 1151 D C 1.549 177.783 176.300 -0.109 0.000 0.965 1151 D CA 1.168 55.130 54.000 -0.064 0.000 0.879 1151 D CB 0.210 40.994 40.800 -0.027 0.000 0.921 1151 D HN 0.499 nan 8.370 nan 0.000 0.510 1152 A N 0.133 122.891 122.820 -0.104 0.000 2.218 1152 A HA 0.096 4.401 4.320 -0.026 0.000 0.209 1152 A C 1.502 178.951 177.584 -0.225 0.000 1.168 1152 A CA -0.049 51.900 52.037 -0.146 0.000 0.804 1152 A CB -0.122 18.837 19.000 -0.067 0.000 0.834 1152 A HN 0.144 nan 8.150 nan 0.000 0.482 1153 L N 1.208 122.319 121.223 -0.188 0.000 2.934 1153 L HA 0.159 4.483 4.340 -0.026 0.000 0.233 1153 L C -0.125 176.625 176.870 -0.200 0.000 1.358 1153 L CA -0.148 54.592 54.840 -0.166 0.000 1.233 1153 L CB -0.275 41.721 42.059 -0.105 0.000 1.594 1153 L HN 0.439 nan 8.230 nan 0.000 0.439 1154 Q N 1.539 121.130 119.800 -0.349 0.000 2.226 1154 Q HA 0.424 4.749 4.340 -0.026 0.000 0.256 1154 Q C -2.232 173.643 176.000 -0.207 0.000 0.962 1154 Q CA -2.068 53.535 55.803 -0.332 0.000 0.887 1154 Q CB 1.551 29.959 28.738 -0.549 0.000 1.282 1154 Q HN 0.051 nan 8.270 nan 0.000 0.449 1155 P HA -0.033 nan 4.420 nan 0.000 0.272 1155 P C 0.311 177.712 177.300 0.169 0.000 1.223 1155 P CA 0.088 63.209 63.100 0.035 0.000 0.784 1155 P CB 0.665 32.389 31.700 0.040 0.000 0.923 1156 G N 2.910 111.822 108.800 0.187 0.000 2.479 1156 G HA2 -0.273 3.672 3.960 -0.026 0.000 0.220 1156 G HA3 -0.273 3.672 3.960 -0.026 0.000 0.220 1156 G C 1.447 176.478 174.900 0.219 0.000 1.115 1156 G CA 0.520 45.764 45.100 0.241 0.000 0.757 1156 G HN 0.680 nan 8.290 nan 0.000 0.560 1157 R N 0.012 120.623 120.500 0.185 0.000 2.241 1157 R HA 0.050 4.375 4.340 -0.026 0.000 0.224 1157 R C 1.340 177.752 176.300 0.187 0.000 1.101 1157 R CA 1.374 57.580 56.100 0.177 0.000 0.995 1157 R CB -0.304 30.069 30.300 0.120 0.000 0.870 1157 R HN 0.130 nan 8.270 nan 0.000 0.463 1158 N N 0.512 119.355 118.700 0.238 0.000 2.398 1158 N HA 0.125 4.849 4.740 -0.026 0.000 0.188 1158 N C -0.149 175.480 175.510 0.197 0.000 1.122 1158 N CA 0.095 53.297 53.050 0.254 0.000 0.866 1158 N CB 0.153 38.817 38.487 0.295 0.000 0.970 1158 N HN 0.170 nan 8.380 nan 0.000 0.462 1159 L N 0.922 122.097 121.223 -0.080 0.000 2.514 1159 L HA -0.037 4.288 4.340 -0.026 0.000 0.280 1159 L C 1.552 178.178 176.870 -0.406 0.000 1.223 1159 L CA -0.146 54.305 54.840 -0.648 0.000 0.864 1159 L CB 0.697 42.140 42.059 -1.027 0.000 1.118 1159 L HN 0.030 nan 8.230 nan 0.000 0.494 1160 V N -0.369 119.336 119.914 -0.348 0.000 3.621 1160 V HA 0.587 4.691 4.120 -0.026 0.000 0.263 1160 V C 0.495 176.490 176.094 -0.165 0.000 1.272 1160 V CA 0.567 62.794 62.300 -0.123 0.000 1.080 1160 V CB 0.063 31.910 31.823 0.040 0.000 0.816 1160 V HN 0.749 nan 8.190 nan 0.000 0.451 1161 A N -0.521 122.081 122.820 -0.363 0.000 2.594 1161 A HA 0.954 5.258 4.320 -0.026 0.000 0.296 1161 A C -0.766 176.625 177.584 -0.323 0.000 1.056 1161 A CA 0.089 51.998 52.037 -0.214 0.000 0.693 1161 A CB 1.209 20.169 19.000 -0.067 0.000 1.278 1161 A HN 1.746 nan 8.150 nan 0.000 0.408 1162 A N -0.023 122.672 122.820 -0.209 0.000 2.610 1162 A HA 1.070 5.374 4.320 -0.026 0.000 0.291 1162 A C -0.015 177.256 177.584 -0.523 0.000 1.086 1162 A CA 0.168 51.979 52.037 -0.377 0.000 0.677 1162 A CB 1.026 19.827 19.000 -0.331 0.000 1.278 1162 A HN 2.824 nan 8.150 nan 0.000 0.414 1163 G N -1.177 106.966 108.800 -1.095 0.000 2.336 1163 G HA2 0.672 4.617 3.960 -0.026 0.000 0.286 1163 G HA3 0.672 4.617 3.960 -0.026 0.000 0.286 1163 G C -1.487 172.921 174.900 -0.821 0.000 1.269 1163 G CA 0.427 45.014 45.100 -0.854 0.000 0.873 1163 G HN 2.258 nan 8.290 nan 0.000 0.494 1164 Y N -2.503 117.578 120.300 -0.365 0.000 2.656 1164 Y HA 0.847 5.380 4.550 -0.027 0.000 0.334 1164 Y C -0.254 175.622 175.900 -0.039 0.000 1.179 1164 Y CA -1.298 56.720 58.100 -0.137 0.000 1.050 1164 Y CB 1.141 39.513 38.460 -0.147 0.000 1.308 1164 Y HN 1.395 nan 8.280 nan 0.000 0.456 1165 A N 2.022 124.905 122.820 0.105 0.000 2.304 1165 A HA 0.713 5.017 4.320 -0.026 0.000 0.323 1165 A C -1.827 175.573 177.584 -0.307 0.000 1.195 1165 A CA -0.681 51.256 52.037 -0.167 0.000 0.826 1165 A CB 1.200 20.023 19.000 -0.295 0.000 1.184 1165 A HN 0.852 nan 8.150 nan 0.000 0.496 1166 L N 3.034 124.076 121.223 -0.303 0.000 2.298 1166 L HA 0.576 4.900 4.340 -0.026 0.000 0.284 1166 L C -1.574 175.084 176.870 -0.355 0.000 1.013 1166 L CA -0.314 54.350 54.840 -0.292 0.000 0.824 1166 L CB 0.516 42.467 42.059 -0.181 0.000 1.221 1166 L HN 0.568 nan 8.230 nan 0.000 0.418 1167 Y N 5.316 125.642 120.300 0.043 0.000 2.714 1167 Y HA 0.639 5.171 4.550 -0.029 0.000 0.333 1167 Y C 0.956 176.867 175.900 0.019 0.000 1.220 1167 Y CA -0.136 57.987 58.100 0.039 0.000 1.513 1167 Y CB 0.244 38.733 38.460 0.048 0.000 1.435 1167 Y HN 0.703 nan 8.280 nan 0.000 0.489 1168 G N 0.290 109.142 108.800 0.086 0.000 3.247 1168 G HA2 0.192 4.136 3.960 -0.026 0.000 0.163 1168 G HA3 0.192 4.136 3.960 -0.026 0.000 0.163 1168 G C 0.921 175.853 174.900 0.053 0.000 1.206 1168 G CA -0.105 45.025 45.100 0.051 0.000 0.918 1168 G HN 0.380 nan 8.290 nan 0.000 0.625 1169 S N -0.694 115.027 115.700 0.034 0.000 2.419 1169 S HA 0.339 4.793 4.470 -0.026 0.000 0.233 1169 S C 1.007 175.627 174.600 0.033 0.000 1.016 1169 S CA 1.234 59.454 58.200 0.034 0.000 0.974 1169 S CB -0.294 62.924 63.200 0.030 0.000 0.786 1169 S HN 1.308 nan 8.310 nan 0.000 0.492 1170 A N 0.233 123.071 122.820 0.030 0.000 2.485 1170 A HA 0.720 5.024 4.320 -0.026 0.000 0.292 1170 A C -0.469 177.138 177.584 0.039 0.000 1.147 1170 A CA -0.720 51.334 52.037 0.029 0.000 0.750 1170 A CB 1.170 20.181 19.000 0.019 0.000 1.331 1170 A HN 0.163 nan 8.150 nan 0.000 0.419 1171 T N 1.503 116.089 114.554 0.053 0.000 2.767 1171 T HA 0.550 4.884 4.350 -0.026 0.000 0.284 1171 T C -0.359 174.391 174.700 0.083 0.000 0.973 1171 T CA 0.170 62.322 62.100 0.087 0.000 0.996 1171 T CB 0.411 69.385 68.868 0.176 0.000 0.927 1171 T HN 0.598 nan 8.240 nan 0.000 0.456 1172 M N 4.504 124.118 119.600 0.022 0.000 2.393 1172 M HA 0.575 5.040 4.480 -0.026 0.000 0.316 1172 M C -1.707 174.592 176.300 -0.002 0.000 1.087 1172 M CA -0.987 54.327 55.300 0.023 0.000 0.937 1172 M CB 1.392 33.915 32.600 -0.129 0.000 1.668 1172 M HN 0.337 nan 8.290 nan 0.000 0.438 1173 L N 6.094 127.348 121.223 0.052 0.000 2.298 1173 L HA 0.573 4.897 4.340 -0.026 0.000 0.284 1173 L C -1.593 175.218 176.870 -0.098 0.000 1.013 1173 L CA -0.527 54.238 54.840 -0.125 0.000 0.824 1173 L CB 1.492 43.302 42.059 -0.414 0.000 1.221 1173 L HN 0.573 nan 8.230 nan 0.000 0.418 1174 V N 6.509 126.206 119.914 -0.363 0.000 2.370 1174 V HA 0.387 4.491 4.120 -0.026 0.000 0.279 1174 V C -0.220 175.691 176.094 -0.305 0.000 1.029 1174 V CA -0.619 61.428 62.300 -0.421 0.000 0.870 1174 V CB 1.881 33.153 31.823 -0.919 0.000 0.984 1174 V HN 0.584 nan 8.190 nan 0.000 0.451 1175 L N 5.519 126.704 121.223 -0.063 0.000 2.376 1175 L HA 0.904 5.228 4.340 -0.026 0.000 0.275 1175 L C -0.041 176.856 176.870 0.046 0.000 0.987 1175 L CA -0.268 54.588 54.840 0.027 0.000 0.828 1175 L CB 1.472 43.604 42.059 0.121 0.000 1.249 1175 L HN 0.687 nan 8.230 nan 0.000 0.409 1176 A N 6.405 129.260 122.820 0.059 0.000 2.318 1176 A HA 0.913 5.217 4.320 -0.026 0.000 0.324 1176 A C -0.586 177.166 177.584 0.279 0.000 1.170 1176 A CA -0.528 51.590 52.037 0.136 0.000 0.810 1176 A CB 0.911 19.988 19.000 0.128 0.000 1.198 1176 A HN 0.820 nan 8.150 nan 0.000 0.484 1177 M N 1.359 121.101 119.600 0.237 0.000 2.907 1177 M HA 0.292 4.757 4.480 -0.026 0.000 0.282 1177 M C 1.078 177.502 176.300 0.206 0.000 1.259 1177 M CA -0.653 54.802 55.300 0.260 0.000 0.753 1177 M CB 1.501 34.204 32.600 0.172 0.000 1.744 1177 M HN 0.431 nan 8.290 nan 0.000 0.434 1178 V N 0.881 120.904 119.914 0.183 0.000 2.469 1178 V HA -0.227 3.877 4.120 -0.026 0.000 0.251 1178 V C 1.030 177.158 176.094 0.057 0.000 1.064 1178 V CA 2.419 64.793 62.300 0.123 0.000 1.066 1178 V CB -0.624 31.264 31.823 0.109 0.000 0.667 1178 V HN 0.793 nan 8.190 nan 0.000 0.461 1179 N N -0.436 118.307 118.700 0.071 0.000 2.280 1179 N HA 0.415 5.139 4.740 -0.026 0.000 0.192 1179 N C 0.344 175.882 175.510 0.045 0.000 1.109 1179 N CA 0.448 53.529 53.050 0.052 0.000 0.855 1179 N CB 0.684 39.208 38.487 0.061 0.000 0.974 1179 N HN 0.638 nan 8.380 nan 0.000 0.482 1180 G N -0.344 108.478 108.800 0.036 0.000 2.369 1180 G HA2 0.070 4.014 3.960 -0.026 0.000 0.293 1180 G HA3 0.070 4.014 3.960 -0.026 0.000 0.293 1180 G C -1.819 173.096 174.900 0.025 0.000 1.301 1180 G CA -0.927 44.183 45.100 0.016 0.000 0.913 1180 G HN -0.087 nan 8.290 nan 0.000 0.540 1181 V N 1.517 121.426 119.914 -0.008 0.000 2.513 1181 V HA 0.698 4.802 4.120 -0.026 0.000 0.299 1181 V C -0.328 175.719 176.094 -0.078 0.000 1.035 1181 V CA -0.974 61.308 62.300 -0.031 0.000 0.889 1181 V CB 1.671 33.464 31.823 -0.050 0.000 0.988 1181 V HN 0.704 nan 8.190 nan 0.000 0.440 1182 N N 1.849 120.471 118.700 -0.130 0.000 2.242 1182 N HA 0.511 5.236 4.740 -0.026 0.000 0.292 1182 N C -1.525 173.741 175.510 -0.407 0.000 1.125 1182 N CA -0.388 52.448 53.050 -0.356 0.000 0.783 1182 N CB 2.306 40.403 38.487 -0.650 0.000 1.558 1182 N HN 0.559 nan 8.380 nan 0.000 0.472 1183 C N 1.689 120.673 119.300 -0.528 0.000 2.351 1183 C HA 0.632 5.077 4.460 -0.026 0.000 0.326 1183 C C -0.578 174.068 174.990 -0.574 0.000 1.272 1183 C CA -0.703 58.099 59.018 -0.360 0.000 1.650 1183 C CB -1.078 26.574 27.740 -0.147 0.000 2.257 1183 C HN 0.545 nan 8.230 nan 0.000 0.505 1184 F N 2.732 122.631 119.950 -0.084 0.000 2.493 1184 F HA 0.583 5.092 4.527 -0.029 0.000 0.329 1184 F C 0.196 176.064 175.800 0.113 0.000 1.126 1184 F CA -0.720 57.283 58.000 0.006 0.000 0.937 1184 F CB 1.216 40.232 39.000 0.026 0.000 1.146 1184 F HN 0.455 nan 8.300 nan 0.000 0.442 1185 M N 4.346 124.080 119.600 0.223 0.000 2.300 1185 M HA 0.499 4.964 4.480 -0.026 0.000 0.348 1185 M C -1.186 175.158 176.300 0.074 0.000 1.151 1185 M CA -1.178 54.210 55.300 0.146 0.000 1.046 1185 M CB 1.207 33.838 32.600 0.052 0.000 1.647 1185 M HN 0.625 nan 8.290 nan 0.000 0.451 1186 L N 4.912 126.099 121.223 -0.061 0.000 2.410 1186 L HA 0.189 4.514 4.340 -0.026 0.000 0.273 1186 L C -0.546 176.194 176.870 -0.215 0.000 1.144 1186 L CA 0.619 55.202 54.840 -0.429 0.000 0.863 1186 L CB 0.303 42.041 42.059 -0.535 0.000 1.140 1186 L HN 0.610 nan 8.230 nan 0.000 0.463 1187 D N 7.295 127.571 120.400 -0.207 0.000 2.365 1187 D HA 0.224 4.848 4.640 -0.026 0.000 0.237 1187 D C -1.884 174.337 176.300 -0.132 0.000 1.190 1187 D CA -1.982 51.947 54.000 -0.119 0.000 0.867 1187 D CB 1.652 42.405 40.800 -0.078 0.000 1.050 1187 D HN 0.390 nan 8.370 nan 0.000 0.491 1188 P HA -0.048 nan 4.420 nan 0.000 0.220 1188 P C 0.882 178.141 177.300 -0.068 0.000 1.148 1188 P CA 0.759 63.807 63.100 -0.087 0.000 0.803 1188 P CB 0.283 31.950 31.700 -0.056 0.000 0.782 1189 A N -0.104 122.683 122.820 -0.055 0.000 2.014 1189 A HA -0.053 4.251 4.320 -0.026 0.000 0.218 1189 A C 1.922 179.480 177.584 -0.042 0.000 1.163 1189 A CA 1.270 53.282 52.037 -0.041 0.000 0.652 1189 A CB -1.135 17.847 19.000 -0.030 0.000 0.808 1189 A HN 0.361 nan 8.150 nan 0.000 0.449 1190 I N -5.681 114.858 120.570 -0.052 0.000 4.154 1190 I HA 0.485 4.639 4.170 -0.026 0.000 0.334 1190 I C 1.031 177.111 176.117 -0.063 0.000 1.371 1190 I CA 0.347 61.620 61.300 -0.046 0.000 1.110 1190 I CB 0.073 38.054 38.000 -0.032 0.000 1.085 1190 I HN 0.283 nan 8.210 nan 0.000 0.398 1191 G N 2.202 110.941 108.800 -0.100 0.000 2.314 1191 G HA2 -0.200 3.745 3.960 -0.026 0.000 0.292 1191 G HA3 -0.200 3.745 3.960 -0.026 0.000 0.292 1191 G C -0.384 174.434 174.900 -0.136 0.000 1.059 1191 G CA 0.158 45.181 45.100 -0.129 0.000 0.982 1191 G HN 0.572 nan 8.290 nan 0.000 0.505 1192 E N -0.994 119.101 120.200 -0.176 0.000 2.293 1192 E HA 0.515 4.850 4.350 -0.026 0.000 0.270 1192 E C -0.553 175.914 176.600 -0.222 0.000 0.879 1192 E CA -0.917 55.415 56.400 -0.113 0.000 0.756 1192 E CB 1.268 30.958 29.700 -0.017 0.000 1.208 1192 E HN 0.110 nan 8.360 nan 0.000 0.428 1193 F N 2.283 122.235 119.950 0.005 0.000 2.421 1193 F HA 0.229 4.753 4.527 -0.004 0.000 0.358 1193 F C 0.519 176.394 175.800 0.125 0.000 1.115 1193 F CA -0.415 57.611 58.000 0.044 0.000 1.160 1193 F CB 0.518 39.502 39.000 -0.027 0.000 1.123 1193 F HN 0.148 nan 8.300 nan 0.000 0.508 1194 I N 4.984 125.719 120.570 0.275 0.000 2.377 1194 I HA 0.178 4.332 4.170 -0.026 0.000 0.293 1194 I C -0.182 176.076 176.117 0.234 0.000 0.987 1194 I CA -1.176 60.264 61.300 0.232 0.000 1.185 1194 I CB 1.289 39.350 38.000 0.101 0.000 1.341 1194 I HN 0.358 nan 8.210 nan 0.000 0.455 1195 L N 8.132 129.475 121.223 0.201 0.000 2.584 1195 L HA 0.046 4.370 4.340 -0.026 0.000 0.272 1195 L C 0.827 177.598 176.870 -0.165 0.000 1.195 1195 L CA 0.704 55.411 54.840 -0.222 0.000 0.920 1195 L CB 0.530 42.470 42.059 -0.198 0.000 1.173 1195 L HN 0.546 nan 8.230 nan 0.000 0.489 1196 V N -0.400 119.370 119.914 -0.240 0.000 3.562 1196 V HA 0.492 4.597 4.120 -0.026 0.000 0.270 1196 V C -0.173 175.835 176.094 -0.143 0.000 1.418 1196 V CA 0.026 62.248 62.300 -0.130 0.000 1.033 1196 V CB 0.326 32.110 31.823 -0.065 0.000 0.820 1196 V HN 0.736 nan 8.190 nan 0.000 0.441 1197 D N 1.647 121.909 120.400 -0.230 0.000 2.736 1197 D HA 0.421 5.045 4.640 -0.026 0.000 0.243 1197 D C -1.074 175.079 176.300 -0.244 0.000 1.304 1197 D CA -0.239 53.654 54.000 -0.178 0.000 0.934 1197 D CB 2.550 43.274 40.800 -0.127 0.000 1.382 1197 D HN 0.048 nan 8.370 nan 0.000 0.571 1198 R N 1.627 122.033 120.500 -0.157 0.000 2.407 1198 R HA 0.186 4.510 4.340 -0.026 0.000 0.303 1198 R C -0.422 175.839 176.300 -0.066 0.000 0.981 1198 R CA -0.269 55.753 56.100 -0.130 0.000 0.905 1198 R CB 0.794 31.073 30.300 -0.036 0.000 1.099 1198 R HN 0.435 nan 8.270 nan 0.000 0.459 1199 D N 1.949 122.322 120.400 -0.045 0.000 2.737 1199 D HA -0.155 4.469 4.640 -0.026 0.000 0.238 1199 D C -0.871 175.411 176.300 -0.030 0.000 1.157 1199 D CA 0.537 54.532 54.000 -0.009 0.000 0.694 1199 D CB -0.558 40.254 40.800 0.021 0.000 1.021 1199 D HN 0.182 nan 8.370 nan 0.000 0.420 1200 V N 2.208 122.090 119.914 -0.053 0.000 2.655 1200 V HA 0.144 4.248 4.120 -0.026 0.000 0.300 1200 V C 0.974 177.047 176.094 -0.035 0.000 1.044 1200 V CA 0.330 62.600 62.300 -0.050 0.000 1.095 1200 V CB 1.359 33.143 31.823 -0.065 0.000 0.952 1200 V HN 0.106 nan 8.190 nan 0.000 0.485 1201 K N 4.480 124.864 120.400 -0.027 0.000 2.371 1201 K HA 0.549 4.853 4.320 -0.026 0.000 0.251 1201 K C -0.563 176.028 176.600 -0.014 0.000 0.934 1201 K CA -0.734 55.541 56.287 -0.020 0.000 0.798 1201 K CB 2.985 35.477 32.500 -0.013 0.000 1.204 1201 K HN 0.594 nan 8.250 nan 0.000 0.427 1202 I N 1.963 122.527 120.570 -0.010 0.000 2.472 1202 I HA 0.085 4.239 4.170 -0.026 0.000 0.290 1202 I C 0.228 176.352 176.117 0.010 0.000 1.016 1202 I CA -0.373 60.928 61.300 0.001 0.000 1.348 1202 I CB 0.696 38.700 38.000 0.006 0.000 1.417 1202 I HN 0.358 nan 8.210 nan 0.000 0.521 1203 K N 6.239 126.649 120.400 0.018 0.000 2.527 1203 K HA -0.025 4.279 4.320 -0.026 0.000 0.278 1203 K C 0.782 177.399 176.600 0.028 0.000 0.981 1203 K CA -0.180 56.119 56.287 0.019 0.000 1.009 1203 K CB 0.486 32.998 32.500 0.020 0.000 0.895 1203 K HN 0.488 nan 8.250 nan 0.000 0.493 1204 K N 1.926 122.341 120.400 0.026 0.000 2.211 1204 K HA -0.085 4.219 4.320 -0.026 0.000 0.203 1204 K C 0.438 177.070 176.600 0.054 0.000 1.050 1204 K CA 1.188 57.496 56.287 0.035 0.000 0.945 1204 K CB 0.094 32.612 32.500 0.029 0.000 0.732 1204 K HN 0.433 nan 8.250 nan 0.000 0.451 1205 K N -0.182 120.250 120.400 0.053 0.000 2.513 1205 K HA 0.351 4.656 4.320 -0.026 0.000 0.251 1205 K C -0.534 176.093 176.600 0.045 0.000 0.939 1205 K CA -0.454 55.880 56.287 0.079 0.000 0.793 1205 K CB 1.963 34.516 32.500 0.088 0.000 1.241 1205 K HN 0.044 nan 8.250 nan 0.000 0.431 1206 G N 0.023 108.858 108.800 0.058 0.000 2.971 1206 G HA2 0.362 4.306 3.960 -0.026 0.000 0.235 1206 G HA3 0.362 4.306 3.960 -0.026 0.000 0.235 1206 G C -0.221 174.491 174.900 -0.314 0.000 1.351 1206 G CA -0.463 44.612 45.100 -0.042 0.000 1.039 1206 G HN 0.589 nan 8.290 nan 0.000 0.563 1207 S N -1.371 114.082 115.700 -0.412 0.000 3.031 1207 S HA 0.442 4.897 4.470 -0.026 0.000 0.253 1207 S C -0.121 174.189 174.600 -0.484 0.000 0.996 1207 S CA -0.324 57.343 58.200 -0.889 0.000 1.098 1207 S CB -0.288 62.616 63.200 -0.493 0.000 1.042 1207 S HN 0.356 nan 8.310 nan 0.000 0.593 1208 I N 2.654 123.177 120.570 -0.078 0.000 2.545 1208 I HA 0.534 4.688 4.170 -0.026 0.000 0.292 1208 I C -1.107 175.258 176.117 0.413 0.000 1.040 1208 I CA -1.292 60.111 61.300 0.172 0.000 1.068 1208 I CB 2.021 40.093 38.000 0.120 0.000 1.251 1208 I HN 0.395 nan 8.210 nan 0.000 0.424 1209 Y N 3.421 123.907 120.300 0.309 0.000 2.429 1209 Y HA 0.764 5.299 4.550 -0.025 0.000 0.342 1209 Y C -0.540 175.490 175.900 0.216 0.000 1.004 1209 Y CA -1.356 56.908 58.100 0.273 0.000 1.075 1209 Y CB 1.783 40.378 38.460 0.226 0.000 1.214 1209 Y HN 0.402 nan 8.280 nan 0.000 0.455 1210 S N 5.809 121.624 115.700 0.192 0.000 2.774 1210 S HA 0.731 5.186 4.470 -0.026 0.000 0.297 1210 S C -1.405 173.285 174.600 0.149 0.000 1.143 1210 S CA -0.515 57.816 58.200 0.219 0.000 1.090 1210 S CB -0.102 63.364 63.200 0.444 0.000 1.019 1210 S HN 0.826 nan 8.310 nan 0.000 0.482 1211 I N 3.766 124.313 120.570 -0.039 0.000 2.908 1211 I HA 0.409 4.564 4.170 -0.026 0.000 0.300 1211 I C -1.367 174.240 176.117 -0.851 0.000 1.385 1211 I CA -0.740 60.333 61.300 -0.380 0.000 1.004 1211 I CB 1.882 39.778 38.000 -0.173 0.000 1.309 1211 I HN 0.541 nan 8.210 nan 0.000 0.449 1212 N N 4.963 123.007 118.700 -1.093 0.000 2.448 1212 N HA 0.118 4.842 4.740 -0.026 0.000 0.250 1212 N C 0.249 175.680 175.510 -0.131 0.000 1.136 1212 N CA 0.318 52.927 53.050 -0.736 0.000 0.953 1212 N CB 0.518 38.759 38.487 -0.411 0.000 1.251 1212 N HN 0.569 nan 8.380 nan 0.000 0.502 1213 E N 1.467 121.617 120.200 -0.084 0.000 2.511 1213 E HA -0.015 4.319 4.350 -0.026 0.000 0.196 1213 E C 1.362 177.896 176.600 -0.110 0.000 1.066 1213 E CA 0.039 56.483 56.400 0.074 0.000 0.871 1213 E CB 0.182 29.952 29.700 0.115 0.000 0.863 1213 E HN 0.699 nan 8.360 nan 0.000 0.520 1214 G N 0.325 108.980 108.800 -0.242 0.000 2.509 1214 G HA2 -0.221 3.723 3.960 -0.026 0.000 0.218 1214 G HA3 -0.221 3.723 3.960 -0.026 0.000 0.218 1214 G C 0.778 175.364 174.900 -0.522 0.000 1.124 1214 G CA 0.294 45.176 45.100 -0.363 0.000 0.776 1214 G HN 0.262 nan 8.290 nan 0.000 0.547 1215 Y N 0.679 120.731 120.300 -0.413 0.000 2.470 1215 Y HA 0.435 4.969 4.550 -0.027 0.000 0.284 1215 Y C 2.460 177.647 175.900 -1.188 0.000 1.188 1215 Y CA -0.556 57.143 58.100 -0.670 0.000 1.269 1215 Y CB -0.089 37.993 38.460 -0.630 0.000 1.094 1215 Y HN 0.216 nan 8.280 nan 0.000 0.518 1216 A N 0.649 123.016 122.820 -0.755 0.000 1.917 1216 A HA -0.299 4.005 4.320 -0.026 0.000 0.219 1216 A C 2.295 179.667 177.584 -0.354 0.000 1.182 1216 A CA 2.008 53.705 52.037 -0.567 0.000 0.633 1216 A CB -0.458 18.458 19.000 -0.139 0.000 0.819 1216 A HN 0.450 nan 8.150 nan 0.000 0.448 1217 K N -0.481 119.770 120.400 -0.247 0.000 2.280 1217 K HA -0.159 4.145 4.320 -0.026 0.000 0.202 1217 K C 1.218 177.750 176.600 -0.113 0.000 1.047 1217 K CA 1.682 57.890 56.287 -0.131 0.000 0.942 1217 K CB -0.076 32.367 32.500 -0.095 0.000 0.739 1217 K HN 0.627 nan 8.250 nan 0.000 0.457 1218 E N -0.852 119.236 120.200 -0.187 0.000 2.498 1218 E HA 0.089 4.424 4.350 -0.026 0.000 0.203 1218 E C -0.566 176.033 176.600 -0.002 0.000 1.013 1218 E CA -0.439 55.911 56.400 -0.083 0.000 0.927 1218 E CB 0.316 29.987 29.700 -0.048 0.000 1.012 1218 E HN 0.029 nan 8.360 nan 0.000 0.482 1219 F N 2.558 122.510 119.950 0.003 0.000 2.496 1219 F HA 0.064 4.575 4.527 -0.026 0.000 0.344 1219 F C 1.080 176.850 175.800 -0.050 0.000 1.155 1219 F CA -1.636 56.347 58.000 -0.029 0.000 1.302 1219 F CB 0.074 39.048 39.000 -0.043 0.000 1.159 1219 F HN -0.030 nan 8.300 nan 0.000 0.595 1220 D N 2.103 122.596 120.400 0.155 0.000 2.360 1220 D HA 0.161 4.786 4.640 -0.026 0.000 0.242 1220 D C -2.232 174.000 176.300 -0.112 0.000 1.184 1220 D CA -1.553 52.448 54.000 0.003 0.000 0.930 1220 D CB 0.084 40.876 40.800 -0.012 0.000 1.161 1220 D HN 0.144 nan 8.370 nan 0.000 0.447 1221 P HA -0.084 nan 4.420 nan 0.000 0.220 1221 P C 0.973 177.915 177.300 -0.596 0.000 1.148 1221 P CA 1.923 64.843 63.100 -0.301 0.000 0.803 1221 P CB 0.004 31.563 31.700 -0.235 0.000 0.782 1222 A N -0.479 121.858 122.820 -0.805 0.000 1.874 1222 A HA -0.112 4.192 4.320 -0.026 0.000 0.214 1222 A C 2.096 179.346 177.584 -0.556 0.000 1.189 1222 A CA 1.081 52.583 52.037 -0.891 0.000 0.615 1222 A CB -1.338 16.879 19.000 -1.305 0.000 0.830 1222 A HN 0.001 nan 8.150 nan 0.000 0.443 1223 I N 0.502 120.768 120.570 -0.506 0.000 2.208 1223 I HA -0.199 3.956 4.170 -0.026 0.000 0.245 1223 I C 2.498 178.458 176.117 -0.262 0.000 1.097 1223 I CA 2.025 63.093 61.300 -0.386 0.000 1.363 1223 I CB -1.890 35.786 38.000 -0.539 0.000 1.051 1223 I HN 0.252 nan 8.210 nan 0.000 0.413 1224 T N 0.291 114.737 114.554 -0.180 0.000 2.684 1224 T HA -0.252 4.083 4.350 -0.026 0.000 0.267 1224 T C 1.844 176.496 174.700 -0.080 0.000 1.036 1224 T CA 1.825 63.891 62.100 -0.057 0.000 1.148 1224 T CB -0.242 68.624 68.868 -0.004 0.000 0.863 1224 T HN 0.440 nan 8.240 nan 0.000 0.436 1225 E N -0.404 119.730 120.200 -0.111 0.000 2.077 1225 E HA -0.177 4.157 4.350 -0.026 0.000 0.193 1225 E C 2.038 178.592 176.600 -0.077 0.000 0.989 1225 E CA 0.895 57.253 56.400 -0.069 0.000 0.800 1225 E CB -0.230 29.455 29.700 -0.026 0.000 0.746 1225 E HN 0.626 nan 8.360 nan 0.000 0.452 1226 Y N 1.103 121.274 120.300 -0.215 0.000 2.145 1226 Y HA -0.171 4.363 4.550 -0.026 0.000 0.286 1226 Y C 1.964 177.689 175.900 -0.292 0.000 1.145 1226 Y CA 1.842 59.800 58.100 -0.237 0.000 1.148 1226 Y CB -0.139 38.172 38.460 -0.248 0.000 0.981 1226 Y HN 0.039 nan 8.280 nan 0.000 0.507 1227 I N -0.018 120.404 120.570 -0.247 0.000 2.226 1227 I HA -0.323 3.831 4.170 -0.026 0.000 0.245 1227 I C 2.586 178.497 176.117 -0.343 0.000 1.100 1227 I CA 1.450 62.509 61.300 -0.403 0.000 1.374 1227 I CB -0.514 37.368 38.000 -0.196 0.000 1.057 1227 I HN 0.329 nan 8.210 nan 0.000 0.413 1228 Q N 1.058 120.757 119.800 -0.168 0.000 2.124 1228 Q HA -0.225 4.099 4.340 -0.026 0.000 0.202 1228 Q C 2.334 178.303 176.000 -0.052 0.000 0.977 1228 Q CA 1.612 57.394 55.803 -0.035 0.000 0.850 1228 Q CB -0.072 28.645 28.738 -0.035 0.000 0.901 1228 Q HN 0.430 nan 8.270 nan 0.000 0.429 1229 R N -0.159 120.213 120.500 -0.214 0.000 2.115 1229 R HA -0.075 4.249 4.340 -0.026 0.000 0.230 1229 R C 2.075 178.139 176.300 -0.393 0.000 1.111 1229 R CA 0.892 56.838 56.100 -0.257 0.000 0.976 1229 R CB 0.208 30.323 30.300 -0.309 0.000 0.870 1229 R HN 0.005 nan 8.270 nan 0.000 0.445 1230 K N 0.385 120.409 120.400 -0.627 0.000 2.217 1230 K HA -0.089 4.216 4.320 -0.026 0.000 0.202 1230 K C 1.659 178.044 176.600 -0.357 0.000 1.051 1230 K CA 1.253 57.121 56.287 -0.698 0.000 0.952 1230 K CB 0.111 31.959 32.500 -1.087 0.000 0.736 1230 K HN 0.210 nan 8.250 nan 0.000 0.453 1231 K N -0.768 119.454 120.400 -0.295 0.000 2.211 1231 K HA 0.090 4.394 4.320 -0.026 0.000 0.201 1231 K C 0.115 176.377 176.600 -0.564 0.000 1.052 1231 K CA 0.509 56.596 56.287 -0.332 0.000 0.973 1231 K CB 0.284 32.626 32.500 -0.263 0.000 0.766 1231 K HN -0.049 nan 8.250 nan 0.000 0.466 1232 F N 1.612 121.496 119.950 -0.110 0.000 2.531 1232 F HA 0.299 4.811 4.527 -0.026 0.000 0.333 1232 F C -2.548 173.197 175.800 -0.091 0.000 1.292 1232 F CA -2.756 55.198 58.000 -0.077 0.000 1.184 1232 F CB 0.872 39.831 39.000 -0.068 0.000 1.426 1232 F HN -0.262 nan 8.300 nan 0.000 0.559 1233 P HA 0.048 nan 4.420 nan 0.000 0.267 1233 P C -1.750 175.561 177.300 0.019 0.000 1.205 1233 P CA -1.052 62.038 63.100 -0.016 0.000 0.765 1233 P CB 0.527 32.217 31.700 -0.016 0.000 0.828 1234 P HA -0.131 nan 4.420 nan 0.000 0.226 1234 P C 0.382 177.689 177.300 0.011 0.000 1.153 1234 P CA 1.351 64.456 63.100 0.009 0.000 0.777 1234 P CB 0.066 31.763 31.700 -0.006 0.000 0.794 1235 D N -1.083 119.323 120.400 0.010 0.000 2.388 1235 D HA -0.015 4.610 4.640 -0.026 0.000 0.221 1235 D C -0.036 176.274 176.300 0.016 0.000 1.133 1235 D CA -0.673 53.335 54.000 0.013 0.000 0.831 1235 D CB -1.643 39.165 40.800 0.014 0.000 0.962 1235 D HN 0.100 nan 8.370 nan 0.000 0.502 1236 N N -0.436 118.276 118.700 0.019 0.000 2.708 1236 N HA -0.241 4.483 4.740 -0.026 0.000 0.249 1236 N C -0.309 175.210 175.510 0.017 0.000 1.097 1236 N CA 0.664 53.726 53.050 0.020 0.000 0.710 1236 N CB -1.347 37.151 38.487 0.019 0.000 1.032 1236 N HN 0.272 nan 8.380 nan 0.000 0.551 1237 S N -0.304 115.408 115.700 0.021 0.000 2.624 1237 S HA 0.629 5.084 4.470 -0.026 0.000 0.263 1237 S C 0.681 175.297 174.600 0.027 0.000 1.287 1237 S CA -0.139 58.078 58.200 0.029 0.000 0.990 1237 S CB 0.852 64.081 63.200 0.048 0.000 0.950 1237 S HN 0.418 nan 8.310 nan 0.000 0.561 1238 A N 3.259 126.096 122.820 0.028 0.000 2.477 1238 A HA 0.492 4.797 4.320 -0.026 0.000 0.246 1238 A C -2.345 175.274 177.584 0.058 0.000 1.078 1238 A CA -1.095 50.954 52.037 0.021 0.000 0.770 1238 A CB -0.770 18.233 19.000 0.006 0.000 1.011 1238 A HN 0.695 nan 8.150 nan 0.000 0.494 1239 P HA 0.097 nan 4.420 nan 0.000 0.268 1239 P C -0.618 176.793 177.300 0.186 0.000 1.208 1239 P CA 0.215 63.346 63.100 0.051 0.000 0.777 1239 P CB 0.150 31.813 31.700 -0.062 0.000 0.875 1240 Y N 0.611 120.913 120.300 0.003 0.000 2.480 1240 Y HA 0.332 4.866 4.550 -0.026 0.000 0.338 1240 Y C 1.674 177.661 175.900 0.145 0.000 1.220 1240 Y CA 0.122 58.281 58.100 0.099 0.000 1.430 1240 Y CB -0.324 38.247 38.460 0.185 0.000 1.311 1240 Y HN 0.378 nan 8.280 nan 0.000 0.575 1241 G N 0.429 109.343 108.800 0.190 0.000 2.537 1241 G HA2 0.541 4.485 3.960 -0.026 0.000 0.273 1241 G HA3 0.541 4.485 3.960 -0.026 0.000 0.273 1241 G C -1.127 173.798 174.900 0.042 0.000 1.189 1241 G CA -0.322 44.843 45.100 0.108 0.000 0.881 1241 G HN 0.808 nan 8.290 nan 0.000 0.535 1242 A N 1.032 123.788 122.820 -0.106 0.000 2.330 1242 A HA 0.878 5.182 4.320 -0.026 0.000 0.327 1242 A C -0.102 177.383 177.584 -0.165 0.000 1.155 1242 A CA -0.735 51.058 52.037 -0.407 0.000 0.803 1242 A CB 1.246 19.985 19.000 -0.435 0.000 1.208 1242 A HN 0.526 nan 8.150 nan 0.000 0.477 1243 R N 0.693 121.119 120.500 -0.125 0.000 2.548 1243 R HA 0.394 4.719 4.340 -0.026 0.000 0.280 1243 R C -2.326 174.065 176.300 0.153 0.000 1.061 1243 R CA -0.433 55.684 56.100 0.028 0.000 0.915 1243 R CB 1.648 31.983 30.300 0.058 0.000 1.210 1243 R HN 0.786 nan 8.270 nan 0.000 0.442 1244 Y N 2.214 122.521 120.300 0.012 0.000 2.379 1244 Y HA 0.147 4.682 4.550 -0.024 0.000 0.342 1244 Y C 0.465 176.408 175.900 0.073 0.000 1.126 1244 Y CA -0.397 57.746 58.100 0.071 0.000 1.310 1244 Y CB 0.854 39.353 38.460 0.064 0.000 1.115 1244 Y HN 0.350 nan 8.280 nan 0.000 0.505 1245 V N 3.340 123.175 119.914 -0.132 0.000 2.427 1245 V HA -0.051 4.054 4.120 -0.026 0.000 0.248 1245 V C 1.804 177.765 176.094 -0.221 0.000 1.051 1245 V CA 2.473 64.696 62.300 -0.128 0.000 1.048 1245 V CB -0.787 30.968 31.823 -0.112 0.000 0.666 1245 V HN 1.204 nan 8.190 nan 0.000 0.456 1246 G N -0.660 107.826 108.800 -0.525 0.000 2.179 1246 G HA2 -0.205 3.739 3.960 -0.026 0.000 0.220 1246 G HA3 -0.205 3.739 3.960 -0.026 0.000 0.220 1246 G C 0.271 175.074 174.900 -0.162 0.000 0.990 1246 G CA 0.152 45.023 45.100 -0.380 0.000 0.646 1246 G HN 0.515 nan 8.290 nan 0.000 0.517 1247 S N 0.544 116.142 115.700 -0.170 0.000 2.530 1247 S HA 0.549 5.004 4.470 -0.026 0.000 0.322 1247 S C 1.098 175.595 174.600 -0.171 0.000 1.085 1247 S CA 0.089 58.227 58.200 -0.103 0.000 1.096 1247 S CB 1.493 64.647 63.200 -0.076 0.000 0.988 1247 S HN 0.391 nan 8.310 nan 0.000 0.466 1248 M N 3.792 123.309 119.600 -0.138 0.000 2.106 1248 M HA -0.113 4.351 4.480 -0.026 0.000 0.259 1248 M C 1.286 177.335 176.300 -0.419 0.000 1.068 1248 M CA 2.024 57.151 55.300 -0.289 0.000 1.100 1248 M CB -0.213 32.303 32.600 -0.139 0.000 1.351 1248 M HN 0.558 nan 8.290 nan 0.000 0.404 1249 V N 0.705 120.430 119.914 -0.316 0.000 2.407 1249 V HA -0.238 3.866 4.120 -0.026 0.000 0.248 1249 V C 2.663 178.519 176.094 -0.398 0.000 1.055 1249 V CA 1.860 63.890 62.300 -0.449 0.000 1.049 1249 V CB -1.310 30.320 31.823 -0.322 0.000 0.662 1249 V HN 0.654 nan 8.190 nan 0.000 0.455 1250 A N -0.391 122.277 122.820 -0.254 0.000 1.873 1250 A HA -0.212 4.093 4.320 -0.026 0.000 0.215 1250 A C 2.058 179.525 177.584 -0.194 0.000 1.186 1250 A CA 1.805 53.739 52.037 -0.171 0.000 0.616 1250 A CB -0.536 18.392 19.000 -0.119 0.000 0.823 1250 A HN 0.526 nan 8.150 nan 0.000 0.442 1251 D N -0.249 119.983 120.400 -0.279 0.000 2.117 1251 D HA -0.090 4.534 4.640 -0.026 0.000 0.198 1251 D C 2.096 178.184 176.300 -0.354 0.000 0.982 1251 D CA 1.448 55.288 54.000 -0.267 0.000 0.828 1251 D CB -0.229 40.414 40.800 -0.262 0.000 0.967 1251 D HN 0.214 nan 8.370 nan 0.000 0.464 1252 V N 0.641 120.228 119.914 -0.545 0.000 2.358 1252 V HA -0.225 3.879 4.120 -0.026 0.000 0.246 1252 V C 2.311 178.264 176.094 -0.236 0.000 1.047 1252 V CA 1.543 63.586 62.300 -0.428 0.000 1.035 1252 V CB -0.523 30.999 31.823 -0.502 0.000 0.658 1252 V HN 0.204 nan 8.190 nan 0.000 0.452 1253 H N 0.614 119.488 119.070 -0.327 0.000 2.353 1253 H HA -0.154 4.388 4.556 -0.023 0.000 0.300 1253 H C 2.468 177.696 175.328 -0.167 0.000 1.090 1253 H CA 2.252 58.214 56.048 -0.144 0.000 1.327 1253 H CB -0.110 29.602 29.762 -0.084 0.000 1.383 1253 H HN 0.225 nan 8.280 nan 0.000 0.508 1254 R N -0.489 119.871 120.500 -0.233 0.000 2.081 1254 R HA -0.128 4.197 4.340 -0.026 0.000 0.235 1254 R C 1.824 177.963 176.300 -0.269 0.000 1.131 1254 R CA 1.917 57.784 56.100 -0.389 0.000 0.960 1254 R CB -0.346 29.786 30.300 -0.280 0.000 0.856 1254 R HN 0.372 nan 8.270 nan 0.000 0.436 1255 T N 1.915 116.390 114.554 -0.132 0.000 2.746 1255 T HA -0.167 4.168 4.350 -0.026 0.000 0.267 1255 T C 1.687 176.357 174.700 -0.050 0.000 1.039 1255 T CA 1.300 63.386 62.100 -0.024 0.000 1.142 1255 T CB -0.244 68.642 68.868 0.030 0.000 0.866 1255 T HN 0.186 nan 8.240 nan 0.000 0.444 1256 L N 2.090 123.241 121.223 -0.120 0.000 2.017 1256 L HA -0.052 4.272 4.340 -0.026 0.000 0.208 1256 L C 2.454 179.246 176.870 -0.129 0.000 1.073 1256 L CA 1.689 56.462 54.840 -0.111 0.000 0.745 1256 L CB -0.588 41.401 42.059 -0.116 0.000 0.894 1256 L HN 0.291 nan 8.230 nan 0.000 0.432 1257 V N -4.657 115.109 119.914 -0.247 0.000 3.174 1257 V HA -0.026 4.078 4.120 -0.026 0.000 0.254 1257 V C 1.813 177.980 176.094 0.121 0.000 1.120 1257 V CA 0.852 63.063 62.300 -0.148 0.000 1.114 1257 V CB -0.921 30.716 31.823 -0.310 0.000 0.756 1257 V HN 0.515 nan 8.190 nan 0.000 0.467 1258 Y N 1.427 121.676 120.300 -0.085 0.000 2.430 1258 Y HA 0.564 5.099 4.550 -0.026 0.000 0.248 1258 Y C 1.603 177.480 175.900 -0.037 0.000 1.108 1258 Y CA -0.143 57.925 58.100 -0.053 0.000 1.264 1258 Y CB 0.908 39.343 38.460 -0.042 0.000 1.172 1258 Y HN 0.522 nan 8.280 nan 0.000 0.520 1259 G N 0.652 109.526 108.800 0.124 0.000 2.795 1259 G HA2 0.169 4.114 3.960 -0.026 0.000 0.664 1259 G HA3 0.169 4.114 3.960 -0.026 0.000 0.664 1259 G C 0.057 175.024 174.900 0.112 0.000 1.381 1259 G CA -0.537 44.616 45.100 0.087 0.000 0.853 1259 G HN 0.995 nan 8.290 nan 0.000 0.545 1260 G N -1.404 107.473 108.800 0.128 0.000 2.416 1260 G HA2 0.468 4.412 3.960 -0.026 0.000 0.203 1260 G HA3 0.468 4.412 3.960 -0.026 0.000 0.203 1260 G C -0.704 174.337 174.900 0.235 0.000 1.227 1260 G CA 0.480 45.702 45.100 0.203 0.000 1.041 1260 G HN 2.440 nan 8.290 nan 0.000 0.546 1261 I N -0.453 120.296 120.570 0.298 0.000 2.722 1261 I HA 0.845 5.000 4.170 -0.026 0.000 0.295 1261 I C -1.422 174.887 176.117 0.319 0.000 1.161 1261 I CA -1.594 59.872 61.300 0.276 0.000 1.032 1261 I CB 1.832 39.993 38.000 0.269 0.000 1.244 1261 I HN 0.974 nan 8.210 nan 0.000 0.421 1262 F N 8.003 128.031 119.950 0.130 0.000 2.507 1262 F HA 0.819 5.331 4.527 -0.024 0.000 0.325 1262 F C -1.400 174.472 175.800 0.120 0.000 1.116 1262 F CA -0.621 57.462 58.000 0.139 0.000 0.930 1262 F CB 1.592 40.656 39.000 0.106 0.000 1.146 1262 F HN 0.370 nan 8.300 nan 0.000 0.447 1263 M N 6.512 125.667 119.600 -0.742 0.000 2.393 1263 M HA 0.307 4.771 4.480 -0.026 0.000 0.299 1263 M C -1.928 173.983 176.300 -0.648 0.000 1.103 1263 M CA -0.681 54.300 55.300 -0.531 0.000 0.910 1263 M CB 2.448 34.865 32.600 -0.305 0.000 1.659 1263 M HN 0.635 nan 8.290 nan 0.000 0.445 1264 Y N 4.298 124.369 120.300 -0.382 0.000 2.535 1264 Y HA 0.412 4.947 4.550 -0.026 0.000 0.351 1264 Y C -2.656 173.183 175.900 -0.102 0.000 1.050 1264 Y CA -1.961 56.033 58.100 -0.176 0.000 1.168 1264 Y CB 0.810 39.255 38.460 -0.024 0.000 1.116 1264 Y HN 0.330 nan 8.280 nan 0.000 0.654 1265 P HA 0.403 nan 4.420 nan 0.000 0.284 1265 P C -0.368 176.993 177.300 0.103 0.000 1.292 1265 P CA -0.390 62.731 63.100 0.035 0.000 0.800 1265 P CB 1.332 33.009 31.700 -0.038 0.000 1.188 1266 A N 1.259 124.125 122.820 0.076 0.000 2.406 1266 A HA 0.388 4.693 4.320 -0.026 0.000 0.243 1266 A C 0.462 178.107 177.584 0.102 0.000 1.082 1266 A CA 0.291 52.373 52.037 0.075 0.000 0.786 1266 A CB -0.896 18.135 19.000 0.053 0.000 1.029 1266 A HN 0.851 nan 8.150 nan 0.000 0.495 1267 N N -1.191 117.557 118.700 0.080 0.000 3.039 1267 N HA 0.258 4.982 4.740 -0.026 0.000 0.257 1267 N C -0.256 175.288 175.510 0.057 0.000 1.497 1267 N CA -0.712 52.395 53.050 0.095 0.000 0.861 1267 N CB 0.621 39.158 38.487 0.083 0.000 1.479 1267 N HN 0.362 nan 8.380 nan 0.000 0.547 1268 K N -0.452 119.978 120.400 0.050 0.000 2.360 1268 K HA -0.010 4.294 4.320 -0.026 0.000 0.201 1268 K C 0.525 177.141 176.600 0.026 0.000 1.046 1268 K CA 1.192 57.499 56.287 0.035 0.000 0.945 1268 K CB -0.081 32.435 32.500 0.027 0.000 0.750 1268 K HN 0.458 nan 8.250 nan 0.000 0.464 1269 K N -0.503 119.910 120.400 0.023 0.000 2.360 1269 K HA 0.118 4.423 4.320 -0.026 0.000 0.196 1269 K C -0.194 176.417 176.600 0.018 0.000 1.049 1269 K CA 0.116 56.416 56.287 0.022 0.000 1.049 1269 K CB 1.161 33.678 32.500 0.028 0.000 0.881 1269 K HN -0.156 nan 8.250 nan 0.000 0.542 1270 S N 1.785 117.495 115.700 0.017 0.000 2.389 1270 S HA 0.215 4.669 4.470 -0.026 0.000 0.201 1270 S C -2.460 172.153 174.600 0.021 0.000 1.422 1270 S CA -0.951 57.258 58.200 0.015 0.000 1.216 1270 S CB 1.586 64.793 63.200 0.011 0.000 1.130 1270 S HN -0.074 nan 8.310 nan 0.000 0.465 1271 P HA 0.022 nan 4.420 nan 0.000 0.225 1271 P C 0.451 177.757 177.300 0.010 0.000 1.148 1271 P CA 0.920 64.030 63.100 0.018 0.000 0.779 1271 P CB 0.139 31.847 31.700 0.013 0.000 0.780 1272 K N -1.096 119.306 120.400 0.004 0.000 2.564 1272 K HA 0.379 4.683 4.320 -0.026 0.000 0.205 1272 K C 0.804 177.399 176.600 -0.008 0.000 1.053 1272 K CA 0.038 56.320 56.287 -0.008 0.000 1.072 1272 K CB 0.532 33.022 32.500 -0.017 0.000 0.822 1272 K HN 0.052 nan 8.250 nan 0.000 0.497 1273 G N 1.931 110.741 108.800 0.015 0.000 2.645 1273 G HA2 -0.360 3.584 3.960 -0.026 0.000 0.246 1273 G HA3 -0.360 3.584 3.960 -0.026 0.000 0.246 1273 G C 0.223 175.092 174.900 -0.052 0.000 1.322 1273 G CA 0.324 45.446 45.100 0.037 0.000 0.898 1273 G HN 0.279 nan 8.290 nan 0.000 0.573 1274 K N -1.135 119.138 120.400 -0.211 0.000 2.344 1274 K HA 0.320 4.624 4.320 -0.026 0.000 0.200 1274 K C 1.323 177.744 176.600 -0.298 0.000 1.132 1274 K CA -0.130 55.964 56.287 -0.322 0.000 0.935 1274 K CB 0.003 32.120 32.500 -0.639 0.000 1.089 1274 K HN 0.484 nan 8.250 nan 0.000 0.496 1275 L N 2.704 123.712 121.223 -0.359 0.000 2.452 1275 L HA 0.185 4.510 4.340 -0.026 0.000 0.267 1275 L C 0.074 176.850 176.870 -0.156 0.000 1.188 1275 L CA -0.426 54.287 54.840 -0.211 0.000 0.821 1275 L CB 0.406 42.386 42.059 -0.132 0.000 1.102 1275 L HN 0.050 nan 8.230 nan 0.000 0.470 1276 R N 0.842 121.235 120.500 -0.178 0.000 2.297 1276 R HA 0.159 4.483 4.340 -0.026 0.000 0.308 1276 R C 0.669 176.741 176.300 -0.379 0.000 1.029 1276 R CA -0.515 55.392 56.100 -0.321 0.000 0.929 1276 R CB 1.057 31.028 30.300 -0.548 0.000 1.046 1276 R HN 0.454 nan 8.270 nan 0.000 0.461 1277 L N 3.600 124.643 121.223 -0.300 0.000 2.027 1277 L HA -0.080 4.244 4.340 -0.026 0.000 0.206 1277 L C 1.153 177.898 176.870 -0.208 0.000 1.074 1277 L CA 1.859 56.583 54.840 -0.194 0.000 0.745 1277 L CB -0.372 41.611 42.059 -0.126 0.000 0.898 1277 L HN 0.673 nan 8.230 nan 0.000 0.433 1278 L N -1.111 119.922 121.223 -0.316 0.000 2.056 1278 L HA -0.163 4.161 4.340 -0.026 0.000 0.207 1278 L C 1.634 178.495 176.870 -0.015 0.000 1.078 1278 L CA 1.757 56.521 54.840 -0.127 0.000 0.749 1278 L CB -0.694 41.334 42.059 -0.051 0.000 0.901 1278 L HN 0.609 nan 8.230 nan 0.000 0.433 1279 Y N -4.606 115.713 120.300 0.031 0.000 2.641 1279 Y HA 0.489 5.024 4.550 -0.026 0.000 0.248 1279 Y C 1.287 177.213 175.900 0.042 0.000 1.170 1279 Y CA -0.586 57.541 58.100 0.046 0.000 1.201 1279 Y CB -0.460 38.011 38.460 0.019 0.000 1.232 1279 Y HN 0.076 nan 8.280 nan 0.000 0.537 1280 E N -0.442 119.741 120.200 -0.029 0.000 3.596 1280 E HA 0.086 4.420 4.350 -0.026 0.000 0.188 1280 E C 1.306 177.898 176.600 -0.014 0.000 1.232 1280 E CA 0.715 57.121 56.400 0.010 0.000 1.460 1280 E CB -0.245 29.454 29.700 -0.002 0.000 1.513 1280 E HN 0.288 nan 8.360 nan 0.000 0.530 1281 C N 1.428 120.701 119.300 -0.044 0.000 2.476 1281 C HA -0.008 4.437 4.460 -0.026 0.000 0.278 1281 C C 2.413 177.414 174.990 0.018 0.000 1.274 1281 C CA 0.919 59.935 59.018 -0.003 0.000 1.713 1281 C CB -1.191 26.539 27.740 -0.016 0.000 2.039 1281 C HN 0.449 nan 8.230 nan 0.000 0.484 1282 N N 1.050 119.758 118.700 0.013 0.000 2.084 1282 N HA -0.105 4.620 4.740 -0.026 0.000 0.190 1282 N C -1.026 174.517 175.510 0.055 0.000 1.030 1282 N CA 1.337 54.418 53.050 0.053 0.000 0.849 1282 N CB -0.706 37.830 38.487 0.082 0.000 1.012 1282 N HN 0.406 nan 8.380 nan 0.000 0.423 1283 P HA -0.144 nan 4.420 nan 0.000 0.215 1283 P C 1.146 178.477 177.300 0.052 0.000 1.157 1283 P CA 1.251 64.344 63.100 -0.010 0.000 0.868 1283 P CB 0.111 31.777 31.700 -0.057 0.000 0.788 1284 M N -1.263 118.361 119.600 0.040 0.000 2.200 1284 M HA -0.007 4.458 4.480 -0.026 0.000 0.265 1284 M C 2.117 178.456 176.300 0.065 0.000 1.066 1284 M CA 1.527 56.852 55.300 0.042 0.000 1.127 1284 M CB -2.001 30.586 32.600 -0.022 0.000 1.379 1284 M HN -0.116 nan 8.290 nan 0.000 0.420 1285 A N -0.753 122.112 122.820 0.074 0.000 1.933 1285 A HA -0.217 4.088 4.320 -0.026 0.000 0.218 1285 A C 2.182 179.818 177.584 0.087 0.000 1.175 1285 A CA 1.377 53.459 52.037 0.075 0.000 0.628 1285 A CB -1.089 17.955 19.000 0.073 0.000 0.814 1285 A HN 0.488 nan 8.150 nan 0.000 0.444 1286 Y N 0.506 120.800 120.300 -0.009 0.000 2.145 1286 Y HA -0.175 4.359 4.550 -0.027 0.000 0.286 1286 Y C 2.397 178.286 175.900 -0.018 0.000 1.145 1286 Y CA 1.957 60.045 58.100 -0.020 0.000 1.148 1286 Y CB -0.317 38.113 38.460 -0.050 0.000 0.981 1286 Y HN 0.068 nan 8.280 nan 0.000 0.507 1287 V N 0.239 120.206 119.914 0.088 0.000 2.287 1287 V HA -0.395 3.710 4.120 -0.026 0.000 0.248 1287 V C 2.453 178.523 176.094 -0.039 0.000 1.053 1287 V CA 2.147 64.456 62.300 0.015 0.000 1.027 1287 V CB -0.661 31.225 31.823 0.106 0.000 0.646 1287 V HN 0.452 nan 8.190 nan 0.000 0.447 1288 M N -0.712 118.886 119.600 -0.005 0.000 2.086 1288 M HA -0.157 4.308 4.480 -0.026 0.000 0.261 1288 M C 2.247 178.517 176.300 -0.051 0.000 1.067 1288 M CA 1.676 56.969 55.300 -0.012 0.000 1.116 1288 M CB -1.118 31.492 32.600 0.017 0.000 1.348 1288 M HN 0.451 nan 8.290 nan 0.000 0.407 1289 E N -0.120 120.031 120.200 -0.082 0.000 2.077 1289 E HA -0.181 4.154 4.350 -0.026 0.000 0.193 1289 E C 1.901 178.405 176.600 -0.159 0.000 0.989 1289 E CA 0.859 57.195 56.400 -0.108 0.000 0.800 1289 E CB -0.035 29.599 29.700 -0.111 0.000 0.746 1289 E HN 0.346 nan 8.360 nan 0.000 0.452 1290 K N 0.101 120.345 120.400 -0.260 0.000 2.362 1290 K HA -0.020 4.284 4.320 -0.026 0.000 0.200 1290 K C 1.572 178.099 176.600 -0.121 0.000 1.046 1290 K CA 0.623 56.768 56.287 -0.237 0.000 0.952 1290 K CB 0.081 32.373 32.500 -0.346 0.000 0.753 1290 K HN 0.034 nan 8.250 nan 0.000 0.466 1291 A N -0.014 122.753 122.820 -0.089 0.000 2.275 1291 A HA 0.341 4.645 4.320 -0.026 0.000 0.212 1291 A C 1.210 178.773 177.584 -0.035 0.000 1.201 1291 A CA 0.751 52.757 52.037 -0.051 0.000 0.843 1291 A CB -0.039 18.939 19.000 -0.037 0.000 0.873 1291 A HN 0.316 nan 8.150 nan 0.000 0.492 1292 G N -1.882 106.894 108.800 -0.040 0.000 2.141 1292 G HA2 -0.010 3.934 3.960 -0.026 0.000 0.231 1292 G HA3 -0.010 3.934 3.960 -0.026 0.000 0.231 1292 G C 0.661 175.555 174.900 -0.010 0.000 0.984 1292 G CA 0.248 45.334 45.100 -0.023 0.000 0.660 1292 G HN 1.290 nan 8.290 nan 0.000 0.525 1293 G N -1.052 107.741 108.800 -0.012 0.000 2.557 1293 G HA2 0.790 4.735 3.960 -0.026 0.000 0.302 1293 G HA3 0.790 4.735 3.960 -0.026 0.000 0.302 1293 G C -0.191 174.711 174.900 0.004 0.000 1.311 1293 G CA -0.897 44.206 45.100 0.006 0.000 1.030 1293 G HN 0.680 nan 8.290 nan 0.000 0.509 1294 L N -0.968 120.266 121.223 0.017 0.000 2.333 1294 L HA 0.769 5.094 4.340 -0.026 0.000 0.263 1294 L C -0.223 176.661 176.870 0.022 0.000 1.014 1294 L CA -1.141 53.707 54.840 0.013 0.000 0.820 1294 L CB 2.507 44.573 42.059 0.010 0.000 1.352 1294 L HN 0.662 nan 8.230 nan 0.000 0.421 1295 A N 0.660 123.489 122.820 0.016 0.000 2.442 1295 A HA 0.677 4.982 4.320 -0.026 0.000 0.284 1295 A C -0.823 176.762 177.584 0.002 0.000 1.058 1295 A CA -0.360 51.691 52.037 0.024 0.000 0.738 1295 A CB 1.791 20.815 19.000 0.040 0.000 1.242 1295 A HN 0.564 nan 8.150 nan 0.000 0.421 1296 T N 0.089 114.632 114.554 -0.017 0.000 2.896 1296 T HA 0.565 4.899 4.350 -0.026 0.000 0.297 1296 T C 1.264 175.912 174.700 -0.085 0.000 1.108 1296 T CA 0.495 62.561 62.100 -0.057 0.000 1.004 1296 T CB 1.496 70.315 68.868 -0.081 0.000 1.159 1296 T HN 1.218 nan 8.240 nan 0.000 0.499 1297 T N -0.321 114.161 114.554 -0.120 0.000 3.067 1297 T HA 0.364 4.699 4.350 -0.026 0.000 0.261 1297 T C 1.576 176.088 174.700 -0.313 0.000 1.110 1297 T CA 1.206 63.214 62.100 -0.152 0.000 1.113 1297 T CB -0.141 68.651 68.868 -0.126 0.000 0.917 1297 T HN 1.523 nan 8.240 nan 0.000 0.499 1298 G N 1.015 109.564 108.800 -0.418 0.000 2.284 1298 G HA2 -0.167 3.778 3.960 -0.026 0.000 0.201 1298 G HA3 -0.167 3.778 3.960 -0.026 0.000 0.201 1298 G C 0.794 175.308 174.900 -0.643 0.000 0.998 1298 G CA 0.171 44.734 45.100 -0.895 0.000 0.651 1298 G HN 0.530 nan 8.290 nan 0.000 0.489 1299 K N 0.175 120.363 120.400 -0.353 0.000 2.538 1299 K HA 0.307 4.612 4.320 -0.026 0.000 0.215 1299 K C 0.415 176.947 176.600 -0.113 0.000 1.345 1299 K CA 0.710 56.879 56.287 -0.196 0.000 0.985 1299 K CB 1.103 33.512 32.500 -0.152 0.000 1.116 1299 K HN 0.631 nan 8.250 nan 0.000 0.582 1300 E N -0.094 120.041 120.200 -0.109 0.000 2.412 1300 E HA 0.554 4.888 4.350 -0.026 0.000 0.279 1300 E C -1.480 175.088 176.600 -0.053 0.000 0.984 1300 E CA -1.186 55.176 56.400 -0.063 0.000 0.788 1300 E CB 1.374 31.046 29.700 -0.047 0.000 1.277 1300 E HN -0.032 nan 8.360 nan 0.000 0.455 1301 A N 1.657 124.459 122.820 -0.029 0.000 2.488 1301 A HA 0.257 4.561 4.320 -0.026 0.000 0.249 1301 A C 1.104 178.684 177.584 -0.006 0.000 1.083 1301 A CA -0.351 51.677 52.037 -0.015 0.000 0.768 1301 A CB 0.531 19.531 19.000 -0.000 0.000 1.017 1301 A HN 0.509 nan 8.150 nan 0.000 0.496 1302 V N 3.445 123.359 119.914 -0.001 0.000 2.332 1302 V HA -0.263 3.841 4.120 -0.026 0.000 0.248 1302 V C 2.306 178.417 176.094 0.028 0.000 1.055 1302 V CA 2.278 64.583 62.300 0.008 0.000 1.038 1302 V CB -0.828 31.005 31.823 0.018 0.000 0.651 1302 V HN 0.844 nan 8.190 nan 0.000 0.450 1303 L N -0.257 120.994 121.223 0.047 0.000 2.456 1303 L HA -0.109 4.215 4.340 -0.026 0.000 0.224 1303 L C 1.637 178.545 176.870 0.064 0.000 1.148 1303 L CA 0.949 55.835 54.840 0.077 0.000 0.825 1303 L CB -0.459 41.662 42.059 0.103 0.000 0.937 1303 L HN 0.359 nan 8.230 nan 0.000 0.450 1304 D N -0.185 120.237 120.400 0.037 0.000 2.349 1304 D HA 0.198 4.822 4.640 -0.026 0.000 0.214 1304 D C 0.763 177.071 176.300 0.014 0.000 1.063 1304 D CA 0.185 54.202 54.000 0.027 0.000 0.847 1304 D CB 0.395 41.205 40.800 0.018 0.000 0.933 1304 D HN 0.221 nan 8.370 nan 0.000 0.513 1305 I N 1.416 121.991 120.570 0.008 0.000 2.533 1305 I HA -0.036 4.118 4.170 -0.026 0.000 0.284 1305 I C 0.282 176.395 176.117 -0.008 0.000 1.109 1305 I CA -0.204 61.092 61.300 -0.006 0.000 1.412 1305 I CB 1.142 39.133 38.000 -0.014 0.000 1.396 1305 I HN -0.351 nan 8.210 nan 0.000 0.543 1306 V N 8.981 128.886 119.914 -0.016 0.000 2.368 1306 V HA 0.196 4.301 4.120 -0.026 0.000 0.266 1306 V C -1.757 174.316 176.094 -0.036 0.000 1.045 1306 V CA -1.456 60.828 62.300 -0.027 0.000 0.899 1306 V CB 0.288 32.097 31.823 -0.025 0.000 1.006 1306 V HN 0.621 nan 8.190 nan 0.000 0.470 1307 P HA 0.226 nan 4.420 nan 0.000 0.274 1307 P C 0.578 177.848 177.300 -0.051 0.000 1.231 1307 P CA -0.121 62.947 63.100 -0.053 0.000 0.790 1307 P CB 0.926 32.583 31.700 -0.071 0.000 0.951 1308 T N -3.569 110.960 114.554 -0.042 0.000 3.040 1308 T HA 0.195 4.530 4.350 -0.026 0.000 0.266 1308 T C -0.090 174.591 174.700 -0.032 0.000 1.005 1308 T CA -0.052 62.028 62.100 -0.034 0.000 0.906 1308 T CB -0.095 68.759 68.868 -0.023 0.000 1.082 1308 T HN 0.380 nan 8.240 nan 0.000 0.531 1309 D N 0.902 121.278 120.400 -0.039 0.000 2.936 1309 D HA 0.299 4.923 4.640 -0.026 0.000 0.238 1309 D C 1.071 177.328 176.300 -0.071 0.000 1.248 1309 D CA -0.996 52.985 54.000 -0.031 0.000 0.903 1309 D CB 1.502 42.302 40.800 0.000 0.000 1.544 1309 D HN 0.235 nan 8.370 nan 0.000 0.543 1310 I N 0.702 121.199 120.570 -0.121 0.000 2.756 1310 I HA -0.025 4.129 4.170 -0.026 0.000 0.262 1310 I C 0.559 176.482 176.117 -0.323 0.000 1.225 1310 I CA 0.845 62.007 61.300 -0.230 0.000 1.472 1310 I CB -0.114 37.703 38.000 -0.306 0.000 1.094 1310 I HN 0.281 nan 8.210 nan 0.000 0.454 1311 H N 1.591 120.688 119.070 0.044 0.000 2.487 1311 H HA 0.293 4.833 4.556 -0.026 0.000 0.290 1311 H C 0.188 175.495 175.328 -0.036 0.000 1.081 1311 H CA -0.318 55.760 56.048 0.051 0.000 1.116 1311 H CB -0.064 29.750 29.762 0.087 0.000 1.560 1311 H HN 0.529 nan 8.280 nan 0.000 0.548 1312 Q N 1.827 121.623 119.800 -0.007 0.000 2.315 1312 Q HA 0.021 4.345 4.340 -0.026 0.000 0.289 1312 Q C -0.120 175.834 176.000 -0.076 0.000 1.044 1312 Q CA 0.150 55.932 55.803 -0.035 0.000 0.920 1312 Q CB 0.739 29.445 28.738 -0.053 0.000 1.214 1312 Q HN 0.361 nan 8.270 nan 0.000 0.392 1313 R N 1.388 121.854 120.500 -0.056 0.000 2.532 1313 R HA 0.721 5.046 4.340 -0.026 0.000 0.272 1313 R C -1.006 175.253 176.300 -0.067 0.000 1.032 1313 R CA -0.314 55.741 56.100 -0.075 0.000 1.089 1313 R CB 1.418 31.683 30.300 -0.059 0.000 1.098 1313 R HN 0.644 nan 8.270 nan 0.000 0.526 1314 A N 2.374 125.152 122.820 -0.070 0.000 2.520 1314 A HA 0.553 4.858 4.320 -0.026 0.000 0.298 1314 A C -2.685 174.882 177.584 -0.028 0.000 1.051 1314 A CA -1.859 50.150 52.037 -0.047 0.000 0.690 1314 A CB 1.688 20.660 19.000 -0.046 0.000 1.281 1314 A HN 0.385 nan 8.150 nan 0.000 0.402 1315 P HA 0.481 nan 4.420 nan 0.000 0.269 1315 P C -0.706 176.601 177.300 0.010 0.000 1.209 1315 P CA 0.154 63.260 63.100 0.010 0.000 0.776 1315 P CB 0.642 32.327 31.700 -0.024 0.000 0.876 1316 I N 2.245 122.845 120.570 0.049 0.000 2.692 1316 I HA 0.463 4.617 4.170 -0.026 0.000 0.293 1316 I C -1.604 174.539 176.117 0.043 0.000 1.200 1316 I CA -0.831 60.502 61.300 0.056 0.000 1.036 1316 I CB 1.365 39.433 38.000 0.114 0.000 1.258 1316 I HN 0.148 nan 8.210 nan 0.000 0.421 1317 I N 8.286 128.866 120.570 0.017 0.000 2.468 1317 I HA 0.447 4.601 4.170 -0.026 0.000 0.285 1317 I C -1.170 174.978 176.117 0.052 0.000 1.039 1317 I CA -0.490 60.808 61.300 -0.003 0.000 1.074 1317 I CB 1.687 39.644 38.000 -0.072 0.000 1.228 1317 I HN 0.400 nan 8.210 nan 0.000 0.436 1318 L N 4.371 125.672 121.223 0.129 0.000 2.403 1318 L HA 1.170 5.495 4.340 -0.026 0.000 0.253 1318 L C 0.014 176.967 176.870 0.138 0.000 1.045 1318 L CA -0.327 54.588 54.840 0.125 0.000 0.845 1318 L CB 1.666 43.815 42.059 0.150 0.000 1.447 1318 L HN 0.706 nan 8.230 nan 0.000 0.411 1319 G N -0.662 108.197 108.800 0.099 0.000 2.247 1319 G HA2 0.104 4.049 3.960 -0.026 0.000 0.229 1319 G HA3 0.104 4.049 3.960 -0.026 0.000 0.229 1319 G C -1.070 173.877 174.900 0.078 0.000 1.345 1319 G CA -0.402 44.758 45.100 0.101 0.000 1.100 1319 G HN 0.837 nan 8.290 nan 0.000 0.473 1320 S N 3.171 118.927 115.700 0.094 0.000 2.546 1320 S HA 0.322 4.777 4.470 -0.026 0.000 0.290 1320 S C -0.728 173.917 174.600 0.075 0.000 1.290 1320 S CA 0.197 58.446 58.200 0.081 0.000 1.069 1320 S CB 1.563 64.823 63.200 0.100 0.000 0.846 1320 S HN 0.537 nan 8.310 nan 0.000 0.495 1321 P HA -0.140 nan 4.420 nan 0.000 0.217 1321 P C 0.860 178.192 177.300 0.055 0.000 1.150 1321 P CA 1.195 64.321 63.100 0.044 0.000 0.832 1321 P CB 0.191 31.909 31.700 0.030 0.000 0.787 1322 E N -0.384 119.858 120.200 0.070 0.000 2.204 1322 E HA -0.132 4.202 4.350 -0.026 0.000 0.194 1322 E C 1.671 178.337 176.600 0.111 0.000 0.989 1322 E CA 0.750 57.199 56.400 0.081 0.000 0.824 1322 E CB -0.290 29.461 29.700 0.084 0.000 0.756 1322 E HN 0.318 nan 8.360 nan 0.000 0.477 1323 D N 0.403 120.888 120.400 0.142 0.000 2.103 1323 D HA -0.100 4.524 4.640 -0.026 0.000 0.199 1323 D C 2.154 178.504 176.300 0.083 0.000 0.978 1323 D CA 0.811 54.927 54.000 0.193 0.000 0.829 1323 D CB -0.093 40.873 40.800 0.277 0.000 0.981 1323 D HN 0.019 nan 8.370 nan 0.000 0.464 1324 V N 1.321 121.262 119.914 0.045 0.000 2.407 1324 V HA -0.209 3.896 4.120 -0.026 0.000 0.248 1324 V C 2.509 178.590 176.094 -0.022 0.000 1.055 1324 V CA 1.773 64.060 62.300 -0.022 0.000 1.049 1324 V CB -0.796 31.029 31.823 0.002 0.000 0.662 1324 V HN 0.202 nan 8.190 nan 0.000 0.455 1325 T N -0.542 114.022 114.554 0.017 0.000 2.821 1325 T HA -0.215 4.119 4.350 -0.026 0.000 0.267 1325 T C 1.865 176.584 174.700 0.032 0.000 1.046 1325 T CA 1.671 63.785 62.100 0.022 0.000 1.139 1325 T CB -0.168 68.720 68.868 0.033 0.000 0.871 1325 T HN 0.687 nan 8.240 nan 0.000 0.454 1326 E N 0.483 120.715 120.200 0.055 0.000 2.077 1326 E HA -0.151 4.183 4.350 -0.026 0.000 0.193 1326 E C 2.126 178.759 176.600 0.054 0.000 0.989 1326 E CA 0.893 57.346 56.400 0.089 0.000 0.800 1326 E CB -0.179 29.623 29.700 0.170 0.000 0.746 1326 E HN 0.279 nan 8.360 nan 0.000 0.452 1327 L N 0.846 122.012 121.223 -0.094 0.000 2.093 1327 L HA -0.074 4.251 4.340 -0.026 0.000 0.208 1327 L C 2.117 179.003 176.870 0.026 0.000 1.085 1327 L CA 1.394 56.106 54.840 -0.214 0.000 0.755 1327 L CB -0.459 41.239 42.059 -0.602 0.000 0.904 1327 L HN 0.252 nan 8.230 nan 0.000 0.435 1328 L N -0.562 120.684 121.223 0.040 0.000 2.079 1328 L HA -0.251 4.074 4.340 -0.026 0.000 0.210 1328 L C 2.473 179.411 176.870 0.114 0.000 1.081 1328 L CA 1.545 56.441 54.840 0.093 0.000 0.752 1328 L CB -0.501 41.572 42.059 0.024 0.000 0.896 1328 L HN 0.367 nan 8.230 nan 0.000 0.433 1329 E N 0.018 120.263 120.200 0.075 0.000 2.153 1329 E HA -0.209 4.126 4.350 -0.026 0.000 0.194 1329 E C 2.227 178.879 176.600 0.087 0.000 0.988 1329 E CA 1.128 57.570 56.400 0.070 0.000 0.811 1329 E CB -0.052 29.681 29.700 0.054 0.000 0.746 1329 E HN 0.527 nan 8.360 nan 0.000 0.466 1330 I N -0.086 120.536 120.570 0.087 0.000 2.286 1330 I HA -0.236 3.918 4.170 -0.026 0.000 0.245 1330 I C 1.895 178.081 176.117 0.115 0.000 1.104 1330 I CA 0.950 62.304 61.300 0.092 0.000 1.397 1330 I CB -0.260 37.751 38.000 0.017 0.000 1.072 1330 I HN 0.088 nan 8.210 nan 0.000 0.417 1331 Y N 1.572 121.893 120.300 0.036 0.000 2.128 1331 Y HA -0.301 4.233 4.550 -0.026 0.000 0.284 1331 Y C 2.796 178.736 175.900 0.067 0.000 1.154 1331 Y CA 1.721 59.839 58.100 0.030 0.000 1.149 1331 Y CB -0.526 37.919 38.460 -0.025 0.000 0.976 1331 Y HN 0.206 nan 8.280 nan 0.000 0.505 1332 Q N -0.079 119.842 119.800 0.202 0.000 2.170 1332 Q HA -0.233 4.092 4.340 -0.026 0.000 0.203 1332 Q C 2.190 178.243 176.000 0.088 0.000 0.976 1332 Q CA 1.649 57.524 55.803 0.119 0.000 0.858 1332 Q CB -0.209 28.576 28.738 0.078 0.000 0.907 1332 Q HN 0.424 nan 8.270 nan 0.000 0.433 1333 K N 0.225 120.675 120.400 0.083 0.000 2.097 1333 K HA -0.158 4.146 4.320 -0.026 0.000 0.205 1333 K C 1.664 178.233 176.600 -0.051 0.000 1.050 1333 K CA 1.119 57.410 56.287 0.007 0.000 0.938 1333 K CB 0.065 32.556 32.500 -0.014 0.000 0.718 1333 K HN 0.345 nan 8.250 nan 0.000 0.442 1334 H N -0.251 118.816 119.070 -0.005 0.000 2.548 1334 H HA 0.133 4.673 4.556 -0.026 0.000 0.268 1334 H C 0.789 176.128 175.328 0.017 0.000 0.975 1334 H CA 0.348 56.389 56.048 -0.012 0.000 1.195 1334 H CB 0.315 30.044 29.762 -0.054 0.000 1.397 1334 H HN 0.273 nan 8.280 nan 0.000 0.572 1335 A N 0.000 122.900 122.820 0.133 0.000 2.254 1335 A HA 0.000 4.304 4.320 -0.026 0.000 0.244 1335 A CA 0.000 52.096 52.037 0.098 0.000 0.836 1335 A CB 0.000 19.056 19.000 0.093 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486