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 1nuw_1_A DATA FIRST_RESID 1008 DATA SEQUENCE TNIVTLTRFV MEEGRKARGT GEMTQLLNSL CTAVKAISTA VRKAGIAHLY DATA SEQUENCE GIAGSTNVTG DQVKKLDVLS NDLVINVLKS SFATCVLVSE EDKNAIIVEP DATA SEQUENCE EKRGKYVVCF DPLDGSSNID CLVSIGTIFG IYRKNSTDEP SEKDALQPGR DATA SEQUENCE NLVAAGYALY GSATMLVLAM VNGVNCFMLD PAIGEFILVD RDVKIKKKGS DATA SEQUENCE IYSINEGYAK EFDPAITEYI QRKKFPPDNS APYGARYVGS MVADVHRTLV DATA SEQUENCE YGGIFMYPAN KKSPKGKLRL LYECNPMAYV MEKAGGLATT GKEAVLDIVP DATA SEQUENCE TDIHQRAPII LGSPEDVTEL LEIYQKHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1008 T HA 0.000 nan 4.350 nan 0.000 0.228 1008 T C 0.000 174.711 174.700 0.018 0.000 1.109 1008 T CA 0.000 62.108 62.100 0.014 0.000 1.349 1008 T CB 0.000 68.875 68.868 0.011 0.000 0.612 1009 N N 1.761 120.475 118.700 0.023 0.000 2.687 1009 N HA 0.414 5.142 4.740 -0.020 0.000 0.275 1009 N C -0.506 175.028 175.510 0.039 0.000 1.789 1009 N CA -0.671 52.396 53.050 0.029 0.000 0.806 1009 N CB 0.107 38.611 38.487 0.027 0.000 1.256 1009 N HN 0.520 nan 8.380 nan 0.000 0.500 1010 I N -0.943 119.653 120.570 0.043 0.000 2.696 1010 I HA 0.265 4.424 4.170 -0.020 0.000 0.284 1010 I C 0.191 176.357 176.117 0.082 0.000 1.129 1010 I CA -0.840 60.493 61.300 0.056 0.000 1.410 1010 I CB 0.249 38.279 38.000 0.050 0.000 1.399 1010 I HN -0.080 nan 8.210 nan 0.000 0.579 1011 V N 4.979 124.957 119.914 0.107 0.000 2.288 1011 V HA 0.339 4.447 4.120 -0.020 0.000 0.266 1011 V C 0.670 176.894 176.094 0.216 0.000 1.048 1011 V CA -0.403 61.992 62.300 0.158 0.000 0.842 1011 V CB 0.057 31.989 31.823 0.183 0.000 1.064 1011 V HN 1.063 nan 8.190 nan 0.000 0.472 1012 T N 1.783 116.448 114.554 0.185 0.000 2.849 1012 T HA 0.375 4.713 4.350 -0.020 0.000 0.284 1012 T C 1.255 176.053 174.700 0.163 0.000 1.004 1012 T CA -0.432 61.774 62.100 0.176 0.000 1.021 1012 T CB 1.433 70.362 68.868 0.103 0.000 1.013 1012 T HN 0.353 nan 8.240 nan 0.000 0.527 1013 L N 0.893 122.091 121.223 -0.042 0.000 2.042 1013 L HA -0.096 4.232 4.340 -0.020 0.000 0.210 1013 L C 2.674 179.450 176.870 -0.156 0.000 1.076 1013 L CA 1.933 56.458 54.840 -0.525 0.000 0.749 1013 L CB -0.994 40.539 42.059 -0.877 0.000 0.893 1013 L HN 0.939 nan 8.230 nan 0.000 0.432 1014 T N -0.508 114.007 114.554 -0.065 0.000 2.652 1014 T HA -0.290 4.048 4.350 -0.020 0.000 0.267 1014 T C 1.927 176.648 174.700 0.035 0.000 1.039 1014 T CA 1.894 63.982 62.100 -0.019 0.000 1.153 1014 T CB -0.296 68.571 68.868 -0.002 0.000 0.863 1014 T HN 0.367 nan 8.240 nan 0.000 0.428 1015 R N -0.272 120.273 120.500 0.075 0.000 2.073 1015 R HA -0.093 4.235 4.340 -0.020 0.000 0.234 1015 R C 2.259 178.627 176.300 0.113 0.000 1.134 1015 R CA 1.473 57.625 56.100 0.087 0.000 0.952 1015 R CB -0.520 29.842 30.300 0.104 0.000 0.850 1015 R HN 0.404 nan 8.270 nan 0.000 0.433 1016 F N 0.639 120.626 119.950 0.062 0.000 2.069 1016 F HA -0.229 4.287 4.527 -0.019 0.000 0.298 1016 F C 1.968 177.800 175.800 0.053 0.000 1.113 1016 F CA 1.740 59.804 58.000 0.106 0.000 1.214 1016 F CB -0.320 38.838 39.000 0.264 0.000 0.978 1016 F HN -0.173 nan 8.300 nan 0.000 0.474 1017 V N 0.600 120.610 119.914 0.160 0.000 2.427 1017 V HA -0.330 3.778 4.120 -0.020 0.000 0.248 1017 V C 2.434 178.503 176.094 -0.042 0.000 1.051 1017 V CA 1.992 64.322 62.300 0.050 0.000 1.048 1017 V CB -0.602 31.244 31.823 0.038 0.000 0.666 1017 V HN 0.392 nan 8.190 nan 0.000 0.456 1018 M N -0.391 119.193 119.600 -0.027 0.000 2.108 1018 M HA -0.246 4.223 4.480 -0.020 0.000 0.261 1018 M C 2.216 178.477 176.300 -0.065 0.000 1.066 1018 M CA 1.999 57.279 55.300 -0.034 0.000 1.107 1018 M CB -0.567 32.025 32.600 -0.014 0.000 1.356 1018 M HN 0.444 nan 8.290 nan 0.000 0.406 1019 E N -0.150 119.984 120.200 -0.109 0.000 2.150 1019 E HA -0.199 4.139 4.350 -0.020 0.000 0.193 1019 E C 1.887 178.379 176.600 -0.179 0.000 0.985 1019 E CA 0.832 57.148 56.400 -0.142 0.000 0.814 1019 E CB -0.286 29.316 29.700 -0.164 0.000 0.752 1019 E HN 0.508 nan 8.360 nan 0.000 0.466 1020 E N 1.364 121.413 120.200 -0.252 0.000 2.065 1020 E HA -0.229 4.109 4.350 -0.020 0.000 0.201 1020 E C 2.180 178.730 176.600 -0.084 0.000 1.016 1020 E CA 1.714 58.003 56.400 -0.184 0.000 0.818 1020 E CB -0.404 29.212 29.700 -0.141 0.000 0.749 1020 E HN 0.258 nan 8.360 nan 0.000 0.453 1021 G N 1.258 110.022 108.800 -0.059 0.000 2.442 1021 G HA2 -0.267 3.682 3.960 -0.020 0.000 0.219 1021 G HA3 -0.267 3.682 3.960 -0.020 0.000 0.219 1021 G C 1.776 176.658 174.900 -0.030 0.000 1.141 1021 G CA 0.674 45.758 45.100 -0.026 0.000 0.763 1021 G HN 0.158 nan 8.290 nan 0.000 0.554 1022 R N 0.168 120.640 120.500 -0.047 0.000 2.092 1022 R HA 0.019 4.347 4.340 -0.020 0.000 0.231 1022 R C 2.432 178.712 176.300 -0.032 0.000 1.119 1022 R CA 0.673 56.752 56.100 -0.036 0.000 0.970 1022 R CB -0.315 29.961 30.300 -0.041 0.000 0.864 1022 R HN 0.179 nan 8.270 nan 0.000 0.440 1023 K N 0.487 120.860 120.400 -0.044 0.000 2.147 1023 K HA -0.020 4.288 4.320 -0.020 0.000 0.205 1023 K C 1.433 178.023 176.600 -0.017 0.000 1.049 1023 K CA 1.139 57.406 56.287 -0.034 0.000 0.936 1023 K CB -0.057 32.414 32.500 -0.047 0.000 0.722 1023 K HN 0.143 nan 8.250 nan 0.000 0.446 1024 A N 0.376 123.189 122.820 -0.012 0.000 3.804 1024 A HA 0.630 4.939 4.320 -0.020 0.000 0.174 1024 A C -0.329 177.256 177.584 0.002 0.000 1.510 1024 A CA 0.065 52.102 52.037 0.001 0.000 1.542 1024 A CB 0.569 19.576 19.000 0.012 0.000 1.611 1024 A HN 0.195 nan 8.150 nan 0.000 0.626 1025 R N -3.434 117.071 120.500 0.008 0.000 3.964 1025 R HA 0.462 4.790 4.340 -0.020 0.000 0.244 1025 R C -0.143 176.165 176.300 0.013 0.000 1.004 1025 R CA 0.783 56.888 56.100 0.007 0.000 1.148 1025 R CB 0.104 30.406 30.300 0.004 0.000 1.234 1025 R HN 2.331 nan 8.270 nan 0.000 0.567 1026 G N 1.222 110.028 108.800 0.010 0.000 2.039 1026 G HA2 -0.110 3.838 3.960 -0.020 0.000 0.207 1026 G HA3 -0.110 3.838 3.960 -0.020 0.000 0.207 1026 G C -1.092 173.817 174.900 0.015 0.000 1.133 1026 G CA -0.207 44.900 45.100 0.012 0.000 1.296 1026 G HN 0.693 nan 8.290 nan 0.000 0.459 1027 T N 1.818 116.388 114.554 0.027 0.000 2.767 1027 T HA 0.531 4.869 4.350 -0.020 0.000 0.288 1027 T C 1.227 175.961 174.700 0.057 0.000 0.963 1027 T CA 0.647 62.770 62.100 0.037 0.000 1.019 1027 T CB 1.550 70.443 68.868 0.042 0.000 0.923 1027 T HN 1.371 nan 8.240 nan 0.000 0.468 1028 G N 1.645 110.471 108.800 0.044 0.000 3.061 1028 G HA2 -0.011 3.937 3.960 -0.020 0.000 0.208 1028 G HA3 -0.011 3.937 3.960 -0.020 0.000 0.208 1028 G C 1.048 175.989 174.900 0.068 0.000 1.175 1028 G CA -0.092 45.034 45.100 0.043 0.000 0.812 1028 G HN 0.777 nan 8.290 nan 0.000 0.523 1029 E N -0.420 119.850 120.200 0.117 0.000 2.110 1029 E HA -0.181 4.157 4.350 -0.020 0.000 0.193 1029 E C 2.260 178.968 176.600 0.181 0.000 0.988 1029 E CA 1.061 57.569 56.400 0.180 0.000 0.804 1029 E CB -0.069 29.783 29.700 0.253 0.000 0.745 1029 E HN 0.448 nan 8.360 nan 0.000 0.458 1030 M N 0.394 120.091 119.600 0.162 0.000 2.159 1030 M HA -0.136 4.332 4.480 -0.020 0.000 0.263 1030 M C 2.012 178.269 176.300 -0.070 0.000 1.063 1030 M CA 1.700 56.953 55.300 -0.077 0.000 1.110 1030 M CB -0.284 32.245 32.600 -0.118 0.000 1.374 1030 M HN -0.084 nan 8.290 nan 0.000 0.411 1031 T N -0.223 114.319 114.554 -0.019 0.000 2.821 1031 T HA -0.136 4.203 4.350 -0.020 0.000 0.267 1031 T C 1.729 176.405 174.700 -0.039 0.000 1.046 1031 T CA 1.452 63.531 62.100 -0.036 0.000 1.139 1031 T CB -0.179 68.681 68.868 -0.014 0.000 0.871 1031 T HN 0.367 nan 8.240 nan 0.000 0.454 1032 Q N 0.703 120.501 119.800 -0.003 0.000 2.084 1032 Q HA 0.074 4.402 4.340 -0.020 0.000 0.202 1032 Q C 2.181 178.164 176.000 -0.028 0.000 0.978 1032 Q CA 1.030 56.838 55.803 0.009 0.000 0.844 1032 Q CB -0.679 28.096 28.738 0.062 0.000 0.898 1032 Q HN 0.463 nan 8.270 nan 0.000 0.426 1033 L N -0.544 120.652 121.223 -0.044 0.000 1.989 1033 L HA -0.203 4.125 4.340 -0.020 0.000 0.211 1033 L C 1.850 178.607 176.870 -0.188 0.000 1.071 1033 L CA 1.324 56.100 54.840 -0.106 0.000 0.749 1033 L CB -0.157 41.821 42.059 -0.136 0.000 0.890 1033 L HN 0.265 nan 8.230 nan 0.000 0.431 1034 L N -0.637 120.464 121.223 -0.204 0.000 2.109 1034 L HA -0.188 4.140 4.340 -0.020 0.000 0.207 1034 L C 2.201 178.927 176.870 -0.241 0.000 1.086 1034 L CA 1.533 56.208 54.840 -0.275 0.000 0.760 1034 L CB -0.743 41.166 42.059 -0.250 0.000 0.910 1034 L HN 0.380 nan 8.230 nan 0.000 0.437 1035 N N -0.512 118.095 118.700 -0.155 0.000 2.061 1035 N HA -0.197 4.531 4.740 -0.020 0.000 0.193 1035 N C 1.929 177.373 175.510 -0.109 0.000 1.030 1035 N CA 1.568 54.552 53.050 -0.110 0.000 0.856 1035 N CB -0.044 38.409 38.487 -0.058 0.000 1.023 1035 N HN 0.202 nan 8.380 nan 0.000 0.424 1036 S N 0.984 116.616 115.700 -0.114 0.000 2.356 1036 S HA -0.104 4.354 4.470 -0.020 0.000 0.223 1036 S C 1.891 176.394 174.600 -0.163 0.000 1.032 1036 S CA 0.682 58.814 58.200 -0.114 0.000 1.005 1036 S CB -0.312 62.825 63.200 -0.106 0.000 0.867 1036 S HN 0.237 nan 8.310 nan 0.000 0.449 1037 L N 1.436 122.512 121.223 -0.245 0.000 2.083 1037 L HA -0.059 4.269 4.340 -0.020 0.000 0.209 1037 L C 2.215 178.925 176.870 -0.266 0.000 1.083 1037 L CA 1.487 56.133 54.840 -0.323 0.000 0.752 1037 L CB -0.911 40.842 42.059 -0.510 0.000 0.899 1037 L HN 0.323 nan 8.230 nan 0.000 0.433 1038 C N -0.906 118.240 119.300 -0.255 0.000 2.413 1038 C HA -0.171 4.277 4.460 -0.020 0.000 0.277 1038 C C 2.640 177.659 174.990 0.049 0.000 1.265 1038 C CA 1.461 60.377 59.018 -0.171 0.000 1.752 1038 C CB -1.302 26.358 27.740 -0.133 0.000 1.998 1038 C HN 0.630 nan 8.230 nan 0.000 0.489 1039 T N 1.007 115.560 114.554 -0.002 0.000 2.708 1039 T HA -0.136 4.202 4.350 -0.020 0.000 0.266 1039 T C 2.114 176.819 174.700 0.008 0.000 1.037 1039 T CA 1.714 63.826 62.100 0.019 0.000 1.146 1039 T CB -0.419 68.439 68.868 -0.017 0.000 0.865 1039 T HN 0.650 nan 8.240 nan 0.000 0.435 1040 A N 0.923 123.718 122.820 -0.041 0.000 1.902 1040 A HA -0.060 4.249 4.320 -0.020 0.000 0.217 1040 A C 2.583 180.179 177.584 0.019 0.000 1.181 1040 A CA 1.387 53.397 52.037 -0.044 0.000 0.623 1040 A CB -1.046 17.888 19.000 -0.109 0.000 0.818 1040 A HN 0.355 nan 8.150 nan 0.000 0.443 1041 V N 0.175 120.124 119.914 0.059 0.000 2.332 1041 V HA -0.295 3.813 4.120 -0.020 0.000 0.248 1041 V C 2.458 178.719 176.094 0.280 0.000 1.055 1041 V CA 2.417 64.849 62.300 0.219 0.000 1.038 1041 V CB -0.668 31.265 31.823 0.183 0.000 0.651 1041 V HN 0.560 nan 8.190 nan 0.000 0.450 1042 K N 0.132 120.679 120.400 0.245 0.000 2.097 1042 K HA -0.098 4.211 4.320 -0.020 0.000 0.206 1042 K C 2.300 178.929 176.600 0.050 0.000 1.049 1042 K CA 1.408 57.784 56.287 0.148 0.000 0.933 1042 K CB -0.388 32.166 32.500 0.089 0.000 0.717 1042 K HN 0.480 nan 8.250 nan 0.000 0.442 1043 A N 1.373 124.207 122.820 0.023 0.000 1.930 1043 A HA -0.125 4.184 4.320 -0.020 0.000 0.217 1043 A C 2.098 179.645 177.584 -0.062 0.000 1.175 1043 A CA 1.204 53.227 52.037 -0.022 0.000 0.627 1043 A CB -0.509 18.476 19.000 -0.026 0.000 0.815 1043 A HN 0.159 nan 8.150 nan 0.000 0.443 1044 I N -0.945 119.579 120.570 -0.076 0.000 2.252 1044 I HA -0.201 3.957 4.170 -0.020 0.000 0.245 1044 I C 2.823 178.724 176.117 -0.361 0.000 1.102 1044 I CA 1.411 62.585 61.300 -0.210 0.000 1.385 1044 I CB -0.285 37.589 38.000 -0.210 0.000 1.064 1044 I HN 0.389 nan 8.210 nan 0.000 0.414 1045 S N 0.204 115.736 115.700 -0.280 0.000 2.359 1045 S HA -0.219 4.239 4.470 -0.020 0.000 0.224 1045 S C 2.103 176.630 174.600 -0.121 0.000 1.035 1045 S CA 2.396 60.473 58.200 -0.204 0.000 1.018 1045 S CB -0.362 62.922 63.200 0.140 0.000 0.876 1045 S HN 0.433 nan 8.310 nan 0.000 0.448 1046 T N 1.955 116.463 114.554 -0.077 0.000 2.746 1046 T HA 0.002 4.340 4.350 -0.020 0.000 0.267 1046 T C 2.052 176.704 174.700 -0.080 0.000 1.039 1046 T CA 1.319 63.383 62.100 -0.061 0.000 1.142 1046 T CB -0.701 68.139 68.868 -0.047 0.000 0.866 1046 T HN 0.534 nan 8.240 nan 0.000 0.444 1047 A N 0.972 123.728 122.820 -0.106 0.000 1.877 1047 A HA -0.060 4.248 4.320 -0.020 0.000 0.216 1047 A C 2.590 180.096 177.584 -0.129 0.000 1.186 1047 A CA 1.412 53.381 52.037 -0.114 0.000 0.620 1047 A CB -1.060 17.870 19.000 -0.116 0.000 0.822 1047 A HN 0.350 nan 8.150 nan 0.000 0.443 1048 V N 0.118 119.937 119.914 -0.158 0.000 2.343 1048 V HA -0.246 3.862 4.120 -0.020 0.000 0.247 1048 V C 2.651 178.715 176.094 -0.049 0.000 1.051 1048 V CA 2.376 64.606 62.300 -0.117 0.000 1.036 1048 V CB -0.794 30.911 31.823 -0.197 0.000 0.654 1048 V HN 0.712 nan 8.190 nan 0.000 0.451 1049 R N 1.606 122.078 120.500 -0.046 0.000 2.237 1049 R HA -0.126 4.202 4.340 -0.020 0.000 0.219 1049 R C 1.780 178.072 176.300 -0.012 0.000 1.080 1049 R CA 1.537 57.633 56.100 -0.006 0.000 0.995 1049 R CB -0.111 30.181 30.300 -0.013 0.000 0.875 1049 R HN 0.679 nan 8.270 nan 0.000 0.462 1050 K N -1.936 118.435 120.400 -0.048 0.000 2.469 1050 K HA 0.365 4.673 4.320 -0.020 0.000 0.204 1050 K C 1.190 177.718 176.600 -0.121 0.000 1.047 1050 K CA 0.381 56.635 56.287 -0.055 0.000 1.072 1050 K CB 0.704 33.176 32.500 -0.046 0.000 0.863 1050 K HN 0.048 nan 8.250 nan 0.000 0.530 1051 A N 1.736 124.434 122.820 -0.203 0.000 1.917 1051 A HA -0.117 4.191 4.320 -0.020 0.000 0.219 1051 A C 2.289 179.475 177.584 -0.664 0.000 1.182 1051 A CA 2.076 53.831 52.037 -0.470 0.000 0.633 1051 A CB -1.246 17.353 19.000 -0.669 0.000 0.819 1051 A HN 0.546 nan 8.150 nan 0.000 0.448 1052 G N -0.542 107.934 108.800 -0.539 0.000 2.443 1052 G HA2 -0.090 3.858 3.960 -0.020 0.000 0.219 1052 G HA3 -0.090 3.858 3.960 -0.020 0.000 0.219 1052 G C 1.453 176.311 174.900 -0.071 0.000 1.131 1052 G CA 0.999 45.958 45.100 -0.235 0.000 0.775 1052 G HN 0.505 nan 8.290 nan 0.000 0.547 1053 I N 0.969 121.525 120.570 -0.023 0.000 2.439 1053 I HA -0.014 4.144 4.170 -0.020 0.000 0.251 1053 I C 2.831 179.029 176.117 0.135 0.000 1.139 1053 I CA 0.888 62.225 61.300 0.062 0.000 1.438 1053 I CB 0.114 38.128 38.000 0.023 0.000 1.085 1053 I HN 0.212 nan 8.210 nan 0.000 0.427 1054 A N -1.231 121.607 122.820 0.030 0.000 2.275 1054 A HA 0.037 4.345 4.320 -0.020 0.000 0.212 1054 A C 0.615 178.244 177.584 0.075 0.000 1.201 1054 A CA -0.031 52.006 52.037 0.000 0.000 0.843 1054 A CB -0.742 18.218 19.000 -0.067 0.000 0.873 1054 A HN 0.601 nan 8.150 nan 0.000 0.492 1055 H N -1.590 117.399 119.070 -0.135 0.000 2.770 1055 H HA -0.133 4.409 4.556 -0.022 0.000 0.309 1055 H C 0.191 175.443 175.328 -0.127 0.000 1.206 1055 H CA 0.540 56.526 56.048 -0.103 0.000 1.147 1055 H CB -1.528 28.205 29.762 -0.048 0.000 1.422 1055 H HN 0.461 nan 8.280 nan 0.000 0.420 1056 L N 0.075 121.204 121.223 -0.157 0.000 2.667 1056 L HA 0.161 4.489 4.340 -0.020 0.000 0.232 1056 L C 0.662 177.448 176.870 -0.141 0.000 1.138 1056 L CA 0.129 54.875 54.840 -0.158 0.000 0.921 1056 L CB 0.143 42.081 42.059 -0.203 0.000 1.180 1056 L HN 0.220 nan 8.230 nan 0.000 0.487 1057 Y N 0.058 120.363 120.300 0.008 0.000 2.316 1057 Y HA 0.550 5.088 4.550 -0.019 0.000 0.324 1057 Y C 1.197 177.098 175.900 0.001 0.000 1.267 1057 Y CA -0.026 58.072 58.100 -0.002 0.000 1.311 1057 Y CB 1.234 39.685 38.460 -0.015 0.000 1.267 1057 Y HN 0.092 nan 8.280 nan 0.000 0.516 1058 G N 1.109 110.019 108.800 0.183 0.000 2.525 1058 G HA2 -0.120 3.828 3.960 -0.020 0.000 0.685 1058 G HA3 -0.120 3.828 3.960 -0.020 0.000 0.685 1058 G C -1.635 173.308 174.900 0.072 0.000 1.290 1058 G CA -1.126 44.032 45.100 0.098 0.000 0.915 1058 G HN 0.450 nan 8.290 nan 0.000 0.548 1059 I N 1.414 122.014 120.570 0.051 0.000 2.566 1059 I HA 0.539 4.697 4.170 -0.020 0.000 0.303 1059 I C 1.652 177.789 176.117 0.033 0.000 0.983 1059 I CA 0.190 61.514 61.300 0.040 0.000 1.235 1059 I CB 1.214 39.233 38.000 0.032 0.000 1.386 1059 I HN 1.030 nan 8.210 nan 0.000 0.494 1060 A N 4.374 127.211 122.820 0.028 0.000 2.099 1060 A HA 0.335 4.644 4.320 -0.020 0.000 0.206 1060 A C 1.261 178.856 177.584 0.018 0.000 1.464 1060 A CA 1.263 53.313 52.037 0.021 0.000 0.603 1060 A CB -0.733 18.278 19.000 0.018 0.000 1.056 1060 A HN 0.916 nan 8.150 nan 0.000 0.492 1061 G N -1.797 107.011 108.800 0.014 0.000 4.657 1061 G HA2 0.446 4.394 3.960 -0.020 0.000 0.213 1061 G HA3 0.446 4.394 3.960 -0.020 0.000 0.213 1061 G C -0.068 174.837 174.900 0.008 0.000 0.912 1061 G CA 0.962 46.069 45.100 0.011 0.000 0.815 1061 G HN 1.354 nan 8.290 nan 0.000 0.384 1062 S N -0.964 114.741 115.700 0.007 0.000 2.794 1062 S HA 0.854 5.312 4.470 -0.020 0.000 0.299 1062 S C -0.876 173.725 174.600 0.001 0.000 1.179 1062 S CA -0.596 57.605 58.200 0.002 0.000 0.838 1062 S CB 2.193 65.392 63.200 -0.002 0.000 1.206 1062 S HN 0.186 nan 8.310 nan 0.000 0.523 1063 T N 2.056 116.607 114.554 -0.004 0.000 2.824 1063 T HA 0.470 4.808 4.350 -0.020 0.000 0.282 1063 T C 0.132 174.819 174.700 -0.023 0.000 0.993 1063 T CA -0.859 61.236 62.100 -0.008 0.000 0.967 1063 T CB 0.718 69.583 68.868 -0.005 0.000 0.960 1063 T HN 0.798 nan 8.240 nan 0.000 0.441 1064 N N 1.067 119.749 118.700 -0.031 0.000 2.322 1064 N HA 0.179 4.907 4.740 -0.020 0.000 0.270 1064 N C 1.678 177.134 175.510 -0.091 0.000 1.286 1064 N CA -0.782 52.230 53.050 -0.063 0.000 0.948 1064 N CB 0.573 39.018 38.487 -0.070 0.000 1.164 1064 N HN 0.303 nan 8.380 nan 0.000 0.551 1065 V N -1.122 118.691 119.914 -0.169 0.000 2.568 1065 V HA -0.165 3.943 4.120 -0.020 0.000 0.253 1065 V C 1.445 177.433 176.094 -0.176 0.000 1.072 1065 V CA 2.500 64.655 62.300 -0.242 0.000 1.084 1065 V CB -0.879 30.574 31.823 -0.617 0.000 0.676 1065 V HN 0.932 nan 8.190 nan 0.000 0.469 1066 T N -1.462 113.021 114.554 -0.118 0.000 3.339 1066 T HA 0.499 4.837 4.350 -0.020 0.000 0.292 1066 T C 0.982 175.670 174.700 -0.020 0.000 1.012 1066 T CA 0.748 62.817 62.100 -0.052 0.000 0.937 1066 T CB -0.500 68.361 68.868 -0.013 0.000 1.164 1066 T HN 1.516 nan 8.240 nan 0.000 0.509 1067 G N 1.382 110.167 108.800 -0.025 0.000 2.175 1067 G HA2 -0.159 3.789 3.960 -0.020 0.000 0.244 1067 G HA3 -0.159 3.789 3.960 -0.020 0.000 0.244 1067 G C -0.434 174.470 174.900 0.005 0.000 0.982 1067 G CA -0.099 44.998 45.100 -0.006 0.000 0.641 1067 G HN 0.575 nan 8.290 nan 0.000 0.527 1068 D N 0.853 121.255 120.400 0.003 0.000 2.304 1068 D HA 0.449 5.077 4.640 -0.020 0.000 0.247 1068 D C 0.625 176.933 176.300 0.013 0.000 1.089 1068 D CA -0.054 53.957 54.000 0.017 0.000 0.910 1068 D CB 0.689 41.503 40.800 0.024 0.000 1.199 1068 D HN 0.010 nan 8.370 nan 0.000 0.426 1069 Q N 0.929 120.742 119.800 0.022 0.000 2.263 1069 Q HA 0.125 4.454 4.340 -0.020 0.000 0.270 1069 Q C -0.545 175.469 176.000 0.023 0.000 1.104 1069 Q CA -0.088 55.728 55.803 0.022 0.000 0.909 1069 Q CB 0.700 29.455 28.738 0.028 0.000 1.214 1069 Q HN 0.265 nan 8.270 nan 0.000 0.400 1070 V N 4.862 124.787 119.914 0.018 0.000 2.555 1070 V HA 0.187 4.295 4.120 -0.020 0.000 0.286 1070 V C -0.206 175.905 176.094 0.029 0.000 1.044 1070 V CA -0.403 61.909 62.300 0.020 0.000 1.026 1070 V CB 0.631 32.460 31.823 0.011 0.000 0.981 1070 V HN 0.523 nan 8.190 nan 0.000 0.480 1071 K N 5.062 125.485 120.400 0.038 0.000 2.095 1071 K HA 0.422 4.730 4.320 -0.020 0.000 0.252 1071 K C 0.923 177.549 176.600 0.042 0.000 0.977 1071 K CA -0.583 55.733 56.287 0.048 0.000 0.900 1071 K CB 1.080 33.618 32.500 0.065 0.000 1.060 1071 K HN 0.623 nan 8.250 nan 0.000 0.449 1072 K N 0.780 121.206 120.400 0.044 0.000 2.152 1072 K HA -0.079 4.229 4.320 -0.020 0.000 0.206 1072 K C 1.842 178.453 176.600 0.019 0.000 1.048 1072 K CA 1.149 57.453 56.287 0.028 0.000 0.933 1072 K CB -0.078 32.436 32.500 0.024 0.000 0.721 1072 K HN 0.316 nan 8.250 nan 0.000 0.447 1073 L N 0.929 122.169 121.223 0.029 0.000 2.217 1073 L HA -0.156 4.172 4.340 -0.020 0.000 0.211 1073 L C 1.707 178.594 176.870 0.028 0.000 1.107 1073 L CA 0.727 55.576 54.840 0.016 0.000 0.783 1073 L CB -0.274 41.801 42.059 0.028 0.000 0.919 1073 L HN 0.174 nan 8.230 nan 0.000 0.442 1074 D N -0.225 120.199 120.400 0.042 0.000 2.097 1074 D HA -0.162 4.466 4.640 -0.020 0.000 0.195 1074 D C 2.273 178.597 176.300 0.040 0.000 0.989 1074 D CA 1.293 55.321 54.000 0.046 0.000 0.827 1074 D CB -0.082 40.742 40.800 0.041 0.000 0.966 1074 D HN 0.130 nan 8.370 nan 0.000 0.456 1075 V N 1.236 121.167 119.914 0.027 0.000 2.307 1075 V HA -0.204 3.905 4.120 -0.020 0.000 0.245 1075 V C 2.519 178.624 176.094 0.018 0.000 1.045 1075 V CA 1.064 63.377 62.300 0.022 0.000 1.024 1075 V CB -0.523 31.309 31.823 0.014 0.000 0.651 1075 V HN 0.109 nan 8.190 nan 0.000 0.449 1076 L N 0.437 121.664 121.223 0.007 0.000 2.017 1076 L HA -0.142 4.186 4.340 -0.020 0.000 0.208 1076 L C 2.497 179.365 176.870 -0.003 0.000 1.073 1076 L CA 2.343 57.179 54.840 -0.007 0.000 0.745 1076 L CB -0.743 41.302 42.059 -0.023 0.000 0.894 1076 L HN 0.297 nan 8.230 nan 0.000 0.432 1077 S N -0.333 115.372 115.700 0.007 0.000 2.382 1077 S HA -0.188 4.270 4.470 -0.020 0.000 0.228 1077 S C 1.874 176.502 174.600 0.046 0.000 1.027 1077 S CA 1.374 59.584 58.200 0.018 0.000 0.991 1077 S CB -0.761 62.466 63.200 0.044 0.000 0.823 1077 S HN 0.624 nan 8.310 nan 0.000 0.469 1078 N N 1.048 119.798 118.700 0.082 0.000 2.084 1078 N HA -0.171 4.557 4.740 -0.020 0.000 0.190 1078 N C 0.926 176.489 175.510 0.089 0.000 1.030 1078 N CA 1.439 54.577 53.050 0.147 0.000 0.849 1078 N CB -0.101 38.459 38.487 0.123 0.000 1.012 1078 N HN 0.242 nan 8.380 nan 0.000 0.423 1079 D N 1.057 121.481 120.400 0.041 0.000 2.117 1079 D HA -0.113 4.515 4.640 -0.020 0.000 0.197 1079 D C 2.195 178.485 176.300 -0.017 0.000 0.987 1079 D CA 0.550 54.559 54.000 0.014 0.000 0.829 1079 D CB -0.344 40.459 40.800 0.004 0.000 0.961 1079 D HN 0.313 nan 8.370 nan 0.000 0.460 1080 L N 0.303 121.508 121.223 -0.030 0.000 2.012 1080 L HA -0.178 4.150 4.340 -0.020 0.000 0.210 1080 L C 2.581 179.387 176.870 -0.106 0.000 1.073 1080 L CA 0.809 55.614 54.840 -0.059 0.000 0.748 1080 L CB -0.384 41.644 42.059 -0.053 0.000 0.891 1080 L HN -0.047 nan 8.230 nan 0.000 0.431 1081 V N -0.117 119.707 119.914 -0.149 0.000 2.358 1081 V HA -0.266 3.842 4.120 -0.020 0.000 0.246 1081 V C 2.282 178.193 176.094 -0.305 0.000 1.047 1081 V CA 1.701 63.802 62.300 -0.333 0.000 1.035 1081 V CB -0.284 31.155 31.823 -0.640 0.000 0.658 1081 V HN 0.308 nan 8.190 nan 0.000 0.452 1082 I N 0.539 121.027 120.570 -0.137 0.000 2.208 1082 I HA -0.285 3.873 4.170 -0.020 0.000 0.245 1082 I C 2.230 178.309 176.117 -0.063 0.000 1.097 1082 I CA 2.067 63.352 61.300 -0.025 0.000 1.363 1082 I CB -0.568 37.482 38.000 0.082 0.000 1.051 1082 I HN 0.429 nan 8.210 nan 0.000 0.413 1083 N N 0.249 118.908 118.700 -0.068 0.000 2.188 1083 N HA -0.146 4.582 4.740 -0.020 0.000 0.184 1083 N C 1.956 177.406 175.510 -0.100 0.000 1.018 1083 N CA 1.377 54.383 53.050 -0.073 0.000 0.858 1083 N CB -0.003 38.450 38.487 -0.057 0.000 0.989 1083 N HN 0.301 nan 8.380 nan 0.000 0.426 1084 V N -0.463 119.381 119.914 -0.117 0.000 2.453 1084 V HA -0.086 4.022 4.120 -0.020 0.000 0.247 1084 V C 1.890 177.901 176.094 -0.138 0.000 1.048 1084 V CA 1.271 63.497 62.300 -0.123 0.000 1.049 1084 V CB -0.797 30.950 31.823 -0.128 0.000 0.672 1084 V HN 0.206 nan 8.190 nan 0.000 0.457 1085 L N -0.293 120.836 121.223 -0.156 0.000 2.056 1085 L HA -0.093 4.235 4.340 -0.020 0.000 0.207 1085 L C 2.907 179.710 176.870 -0.111 0.000 1.078 1085 L CA 2.019 56.780 54.840 -0.132 0.000 0.749 1085 L CB -0.669 41.311 42.059 -0.132 0.000 0.901 1085 L HN 0.263 nan 8.230 nan 0.000 0.433 1086 K N 0.276 120.608 120.400 -0.112 0.000 2.020 1086 K HA -0.193 4.115 4.320 -0.020 0.000 0.212 1086 K C 2.235 178.676 176.600 -0.265 0.000 1.050 1086 K CA 1.967 58.167 56.287 -0.145 0.000 0.929 1086 K CB -0.332 32.098 32.500 -0.117 0.000 0.714 1086 K HN 0.364 nan 8.250 nan 0.000 0.443 1087 S N 0.649 116.197 115.700 -0.252 0.000 2.507 1087 S HA -0.096 4.363 4.470 -0.020 0.000 0.235 1087 S C 1.866 176.262 174.600 -0.340 0.000 0.988 1087 S CA 1.272 59.264 58.200 -0.346 0.000 0.944 1087 S CB -0.301 62.791 63.200 -0.179 0.000 0.762 1087 S HN 0.310 nan 8.310 nan 0.000 0.526 1088 S N 0.544 116.131 115.700 -0.188 0.000 2.489 1088 S HA 0.097 4.555 4.470 -0.020 0.000 0.228 1088 S C 0.734 175.418 174.600 0.141 0.000 0.995 1088 S CA 0.215 58.405 58.200 -0.017 0.000 0.934 1088 S CB -1.184 62.006 63.200 -0.016 0.000 0.771 1088 S HN 0.538 nan 8.310 nan 0.000 0.522 1089 F N -0.183 119.770 119.950 0.006 0.000 3.006 1089 F HA -0.287 4.228 4.527 -0.021 0.000 0.289 1089 F C 1.353 177.172 175.800 0.031 0.000 0.772 1089 F CA 0.383 58.391 58.000 0.013 0.000 1.162 1089 F CB -1.774 37.230 39.000 0.007 0.000 1.382 1089 F HN 0.434 nan 8.300 nan 0.000 0.406 1090 A N -1.086 121.833 122.820 0.165 0.000 2.431 1090 A HA 0.475 4.783 4.320 -0.020 0.000 0.239 1090 A C 0.986 178.686 177.584 0.194 0.000 1.230 1090 A CA 0.828 52.981 52.037 0.194 0.000 0.928 1090 A CB 0.176 19.302 19.000 0.209 0.000 1.006 1090 A HN 0.405 nan 8.150 nan 0.000 0.520 1091 T N -4.217 110.407 114.554 0.116 0.000 2.916 1091 T HA 0.455 4.793 4.350 -0.020 0.000 0.292 1091 T C 0.542 175.285 174.700 0.071 0.000 1.055 1091 T CA -0.021 62.148 62.100 0.115 0.000 1.009 1091 T CB 1.432 70.355 68.868 0.092 0.000 1.118 1091 T HN 0.646 nan 8.240 nan 0.000 0.497 1092 C N 0.282 119.625 119.300 0.073 0.000 3.480 1092 C HA 0.669 5.117 4.460 -0.020 0.000 0.480 1092 C C -0.043 174.976 174.990 0.048 0.000 1.410 1092 C CA -0.358 58.688 59.018 0.047 0.000 2.172 1092 C CB -0.608 27.151 27.740 0.031 0.000 3.162 1092 C HN 0.678 nan 8.230 nan 0.000 0.635 1093 V N 2.350 122.306 119.914 0.069 0.000 2.686 1093 V HA 0.555 4.663 4.120 -0.020 0.000 0.306 1093 V C -0.918 175.235 176.094 0.098 0.000 1.065 1093 V CA -0.196 62.142 62.300 0.064 0.000 0.894 1093 V CB 1.852 33.702 31.823 0.045 0.000 1.004 1093 V HN 0.386 nan 8.190 nan 0.000 0.424 1094 L N 4.625 125.905 121.223 0.095 0.000 2.365 1094 L HA 0.756 5.084 4.340 -0.020 0.000 0.273 1094 L C -0.857 176.035 176.870 0.037 0.000 1.000 1094 L CA -0.927 54.001 54.840 0.147 0.000 0.819 1094 L CB 2.210 44.408 42.059 0.232 0.000 1.284 1094 L HN 0.334 nan 8.230 nan 0.000 0.418 1095 V N 1.708 121.601 119.914 -0.035 0.000 2.409 1095 V HA 0.436 4.544 4.120 -0.020 0.000 0.291 1095 V C -0.176 175.570 176.094 -0.581 0.000 1.020 1095 V CA -0.265 61.923 62.300 -0.186 0.000 0.848 1095 V CB 1.887 33.659 31.823 -0.085 0.000 0.990 1095 V HN 0.820 nan 8.190 nan 0.000 0.430 1096 S N 2.563 117.869 115.700 -0.655 0.000 2.503 1096 S HA 0.350 4.808 4.470 -0.020 0.000 0.301 1096 S C 0.933 175.108 174.600 -0.709 0.000 1.087 1096 S CA -0.465 57.116 58.200 -1.031 0.000 1.042 1096 S CB 1.824 64.572 63.200 -0.753 0.000 1.043 1096 S HN 0.903 nan 8.310 nan 0.000 0.489 1097 E N 1.860 121.439 120.200 -1.035 0.000 2.187 1097 E HA -0.194 4.144 4.350 -0.020 0.000 0.199 1097 E C 0.708 177.164 176.600 -0.240 0.000 1.004 1097 E CA 1.491 57.473 56.400 -0.695 0.000 0.813 1097 E CB 0.077 29.484 29.700 -0.487 0.000 0.736 1097 E HN 0.655 nan 8.360 nan 0.000 0.468 1098 E N 0.588 120.661 120.200 -0.213 0.000 2.478 1098 E HA 0.028 4.366 4.350 -0.020 0.000 0.194 1098 E C -0.517 176.037 176.600 -0.077 0.000 1.045 1098 E CA 0.427 56.763 56.400 -0.105 0.000 0.868 1098 E CB 0.139 29.809 29.700 -0.051 0.000 0.885 1098 E HN 0.299 nan 8.360 nan 0.000 0.505 1099 D N -0.060 120.301 120.400 -0.065 0.000 2.375 1099 D HA 0.112 4.740 4.640 -0.020 0.000 0.247 1099 D C 0.766 177.111 176.300 0.076 0.000 1.061 1099 D CA -0.466 53.528 54.000 -0.010 0.000 0.834 1099 D CB 2.000 42.792 40.800 -0.013 0.000 1.247 1099 D HN -0.307 nan 8.370 nan 0.000 0.489 1100 K N 1.351 121.781 120.400 0.049 0.000 2.063 1100 K HA -0.041 4.267 4.320 -0.020 0.000 0.208 1100 K C -0.268 176.451 176.600 0.198 0.000 1.048 1100 K CA 1.349 57.696 56.287 0.100 0.000 0.928 1100 K CB -0.002 32.517 32.500 0.030 0.000 0.713 1100 K HN 0.415 nan 8.250 nan 0.000 0.442 1101 N N -1.047 117.712 118.700 0.099 0.000 2.404 1101 N HA 0.467 5.195 4.740 -0.020 0.000 0.297 1101 N C -1.529 173.995 175.510 0.023 0.000 1.163 1101 N CA -0.367 52.717 53.050 0.057 0.000 0.864 1101 N CB 1.670 40.177 38.487 0.033 0.000 1.247 1101 N HN 0.201 nan 8.380 nan 0.000 0.510 1102 A N 0.853 123.670 122.820 -0.005 0.000 2.520 1102 A HA 0.223 4.531 4.320 -0.020 0.000 0.235 1102 A C -0.161 177.425 177.584 0.004 0.000 1.065 1102 A CA 0.172 52.201 52.037 -0.015 0.000 0.764 1102 A CB -0.339 18.650 19.000 -0.018 0.000 1.002 1102 A HN 0.615 nan 8.150 nan 0.000 0.502 1103 I N 2.711 123.289 120.570 0.013 0.000 2.331 1103 I HA 0.195 4.353 4.170 -0.020 0.000 0.292 1103 I C -0.379 175.754 176.117 0.027 0.000 0.998 1103 I CA -0.352 60.963 61.300 0.025 0.000 1.267 1103 I CB 1.094 39.119 38.000 0.042 0.000 1.386 1103 I HN 0.369 nan 8.210 nan 0.000 0.476 1104 I N 7.255 127.836 120.570 0.019 0.000 2.325 1104 I HA 0.218 4.376 4.170 -0.020 0.000 0.291 1104 I C 0.350 176.476 176.117 0.015 0.000 1.019 1104 I CA -0.534 60.777 61.300 0.017 0.000 1.302 1104 I CB 1.052 39.059 38.000 0.011 0.000 1.401 1104 I HN 0.166 nan 8.210 nan 0.000 0.485 1105 V N 6.646 126.570 119.914 0.017 0.000 2.715 1105 V HA 0.044 4.152 4.120 -0.020 0.000 0.299 1105 V C 0.893 176.988 176.094 0.002 0.000 1.054 1105 V CA -0.542 61.761 62.300 0.004 0.000 1.077 1105 V CB 0.571 32.395 31.823 0.002 0.000 0.972 1105 V HN 0.689 nan 8.190 nan 0.000 0.484 1106 E N 5.250 125.446 120.200 -0.008 0.000 2.398 1106 E HA 0.085 4.423 4.350 -0.020 0.000 0.263 1106 E C -1.581 175.027 176.600 0.013 0.000 1.046 1106 E CA -1.217 55.183 56.400 0.001 0.000 0.908 1106 E CB 0.627 30.324 29.700 -0.004 0.000 0.963 1106 E HN 0.453 nan 8.360 nan 0.000 0.431 1107 P HA -0.282 nan 4.420 nan 0.000 0.218 1107 P C 0.906 178.238 177.300 0.054 0.000 1.154 1107 P CA 1.510 64.628 63.100 0.031 0.000 0.872 1107 P CB 0.083 31.798 31.700 0.025 0.000 0.790 1108 E N -0.358 119.879 120.200 0.061 0.000 2.478 1108 E HA -0.133 4.205 4.350 -0.020 0.000 0.198 1108 E C 0.998 177.718 176.600 0.201 0.000 1.046 1108 E CA 0.995 57.461 56.400 0.111 0.000 0.870 1108 E CB -0.395 29.367 29.700 0.103 0.000 0.818 1108 E HN 0.302 nan 8.360 nan 0.000 0.527 1109 K N 1.051 121.516 120.400 0.107 0.000 2.447 1109 K HA 0.143 4.451 4.320 -0.020 0.000 0.205 1109 K C 0.528 177.167 176.600 0.065 0.000 1.059 1109 K CA -0.336 55.968 56.287 0.028 0.000 1.065 1109 K CB 1.119 33.474 32.500 -0.243 0.000 0.885 1109 K HN 0.023 nan 8.250 nan 0.000 0.545 1110 R N 0.749 121.304 120.500 0.091 0.000 2.490 1110 R HA 0.271 4.599 4.340 -0.020 0.000 0.280 1110 R C -0.013 176.347 176.300 0.100 0.000 1.077 1110 R CA 0.131 56.273 56.100 0.070 0.000 1.065 1110 R CB 0.721 31.047 30.300 0.044 0.000 1.003 1110 R HN 0.056 nan 8.270 nan 0.000 0.470 1111 G N 1.460 110.306 108.800 0.076 0.000 3.105 1111 G HA2 0.157 4.105 3.960 -0.020 0.000 0.277 1111 G HA3 0.157 4.105 3.960 -0.020 0.000 0.277 1111 G C -0.379 174.509 174.900 -0.019 0.000 1.375 1111 G CA -0.653 44.480 45.100 0.055 0.000 0.962 1111 G HN 0.688 nan 8.290 nan 0.000 0.541 1112 K N -1.205 119.106 120.400 -0.149 0.000 2.432 1112 K HA 0.075 4.383 4.320 -0.020 0.000 0.196 1112 K C -0.494 175.915 176.600 -0.318 0.000 1.038 1112 K CA 0.474 56.581 56.287 -0.300 0.000 0.986 1112 K CB -0.049 32.154 32.500 -0.494 0.000 0.782 1112 K HN 0.337 nan 8.250 nan 0.000 0.485 1113 Y N 1.025 121.354 120.300 0.049 0.000 2.376 1113 Y HA 0.317 4.856 4.550 -0.019 0.000 0.325 1113 Y C 0.133 176.080 175.900 0.080 0.000 1.199 1113 Y CA -1.250 56.887 58.100 0.063 0.000 1.206 1113 Y CB 1.730 40.218 38.460 0.046 0.000 1.229 1113 Y HN -0.321 nan 8.280 nan 0.000 0.480 1114 V N 3.685 123.783 119.914 0.308 0.000 2.370 1114 V HA 0.452 4.560 4.120 -0.020 0.000 0.283 1114 V C -0.705 175.563 176.094 0.289 0.000 1.023 1114 V CA -0.823 61.627 62.300 0.250 0.000 0.857 1114 V CB 1.283 33.236 31.823 0.216 0.000 0.985 1114 V HN 0.501 nan 8.190 nan 0.000 0.443 1115 V N 4.005 124.070 119.914 0.252 0.000 2.448 1115 V HA 0.414 4.522 4.120 -0.020 0.000 0.295 1115 V C -0.209 176.087 176.094 0.337 0.000 1.025 1115 V CA -0.507 61.963 62.300 0.283 0.000 0.859 1115 V CB 1.685 33.651 31.823 0.238 0.000 0.988 1115 V HN 0.946 nan 8.190 nan 0.000 0.431 1116 C N 6.302 125.806 119.300 0.340 0.000 2.329 1116 C HA 0.892 5.340 4.460 -0.020 0.000 0.329 1116 C C -0.217 174.991 174.990 0.364 0.000 1.275 1116 C CA -0.780 58.402 59.018 0.273 0.000 1.726 1116 C CB -0.329 27.593 27.740 0.303 0.000 2.291 1116 C HN 0.861 nan 8.230 nan 0.000 0.514 1117 F N 0.323 120.360 119.950 0.144 0.000 2.645 1117 F HA 0.657 5.173 4.527 -0.018 0.000 0.310 1117 F C -1.087 174.708 175.800 -0.010 0.000 1.102 1117 F CA -1.039 57.045 58.000 0.141 0.000 0.952 1117 F CB 1.075 40.151 39.000 0.127 0.000 1.326 1117 F HN 0.322 nan 8.300 nan 0.000 0.456 1118 D N 3.248 123.810 120.400 0.270 0.000 2.441 1118 D HA 0.383 5.011 4.640 -0.020 0.000 0.231 1118 D C -1.903 174.580 176.300 0.305 0.000 1.073 1118 D CA -2.645 51.447 54.000 0.154 0.000 0.850 1118 D CB 2.020 42.962 40.800 0.237 0.000 1.062 1118 D HN 0.308 nan 8.370 nan 0.000 0.524 1119 P HA 0.008 nan 4.420 nan 0.000 0.221 1119 P C 0.138 177.574 177.300 0.226 0.000 1.150 1119 P CA 0.171 63.466 63.100 0.325 0.000 0.800 1119 P CB 0.866 32.755 31.700 0.316 0.000 0.787 1120 L N -0.151 121.183 121.223 0.185 0.000 2.528 1120 L HA 0.492 4.820 4.340 -0.020 0.000 0.267 1120 L C -1.606 175.353 176.870 0.148 0.000 0.961 1120 L CA -0.621 54.325 54.840 0.177 0.000 0.866 1120 L CB 2.103 44.240 42.059 0.131 0.000 1.248 1120 L HN -0.328 nan 8.230 nan 0.000 0.404 1121 D N 2.854 123.345 120.400 0.152 0.000 2.350 1121 D HA 0.759 5.387 4.640 -0.020 0.000 0.245 1121 D C 0.409 176.760 176.300 0.086 0.000 1.036 1121 D CA 0.641 54.707 54.000 0.110 0.000 0.848 1121 D CB 1.749 42.608 40.800 0.098 0.000 1.307 1121 D HN 0.864 nan 8.370 nan 0.000 0.469 1122 G N 1.847 110.689 108.800 0.071 0.000 2.327 1122 G HA2 -0.223 3.725 3.960 -0.020 0.000 0.159 1122 G HA3 -0.223 3.725 3.960 -0.020 0.000 0.159 1122 G C 0.960 175.898 174.900 0.064 0.000 1.056 1122 G CA 0.342 45.475 45.100 0.054 0.000 0.751 1122 G HN 0.576 nan 8.290 nan 0.000 0.488 1123 S N -0.016 115.727 115.700 0.071 0.000 2.374 1123 S HA -0.198 4.260 4.470 -0.020 0.000 0.227 1123 S C 2.683 177.316 174.600 0.055 0.000 1.037 1123 S CA 2.271 60.512 58.200 0.067 0.000 1.024 1123 S CB -0.613 62.627 63.200 0.066 0.000 0.861 1123 S HN 1.887 nan 8.310 nan 0.000 0.456 1124 S N 2.058 117.792 115.700 0.058 0.000 2.474 1124 S HA 0.024 4.483 4.470 -0.020 0.000 0.235 1124 S C 1.436 176.051 174.600 0.026 0.000 0.997 1124 S CA 0.824 59.053 58.200 0.049 0.000 0.949 1124 S CB -0.517 62.727 63.200 0.072 0.000 0.766 1124 S HN 0.494 nan 8.310 nan 0.000 0.517 1125 N N 0.735 119.450 118.700 0.024 0.000 2.280 1125 N HA 0.370 5.098 4.740 -0.020 0.000 0.192 1125 N C 1.207 176.713 175.510 -0.006 0.000 1.109 1125 N CA 0.074 53.127 53.050 0.005 0.000 0.855 1125 N CB -0.139 38.353 38.487 0.009 0.000 0.974 1125 N HN 0.457 nan 8.380 nan 0.000 0.482 1126 I N 0.994 121.570 120.570 0.010 0.000 2.076 1126 I HA -0.279 3.879 4.170 -0.020 0.000 0.237 1126 I C 1.346 177.372 176.117 -0.153 0.000 1.059 1126 I CA 1.380 62.693 61.300 0.020 0.000 1.317 1126 I CB -0.110 37.946 38.000 0.093 0.000 1.037 1126 I HN -0.054 nan 8.210 nan 0.000 0.398 1127 D N 0.285 120.544 120.400 -0.235 0.000 2.263 1127 D HA -0.128 4.500 4.640 -0.020 0.000 0.208 1127 D C 1.827 177.881 176.300 -0.411 0.000 0.971 1127 D CA 1.130 54.828 54.000 -0.503 0.000 0.867 1127 D CB -0.316 40.315 40.800 -0.281 0.000 0.929 1127 D HN 0.536 nan 8.370 nan 0.000 0.492 1128 C N -0.994 118.178 119.300 -0.213 0.000 2.693 1128 C HA 0.441 4.889 4.460 -0.020 0.000 0.286 1128 C C 1.023 175.954 174.990 -0.099 0.000 1.277 1128 C CA -0.683 58.252 59.018 -0.138 0.000 1.705 1128 C CB -1.211 26.485 27.740 -0.074 0.000 1.879 1128 C HN 0.174 nan 8.230 nan 0.000 0.607 1129 L N -0.436 120.721 121.223 -0.110 0.000 4.496 1129 L HA -0.145 4.183 4.340 -0.020 0.000 0.419 1129 L C 0.466 177.341 176.870 0.009 0.000 1.139 1129 L CA 0.549 55.375 54.840 -0.023 0.000 0.975 1129 L CB -2.217 39.840 42.059 -0.004 0.000 2.099 1129 L HN 0.449 nan 8.230 nan 0.000 0.818 1130 V N -0.519 119.394 119.914 -0.001 0.000 3.003 1130 V HA 0.305 4.413 4.120 -0.020 0.000 0.305 1130 V C 1.357 177.469 176.094 0.030 0.000 1.078 1130 V CA -0.124 62.182 62.300 0.010 0.000 1.083 1130 V CB 1.643 33.464 31.823 -0.003 0.000 1.039 1130 V HN 0.332 nan 8.190 nan 0.000 0.481 1131 S N 4.106 119.822 115.700 0.027 0.000 2.558 1131 S HA 0.242 4.700 4.470 -0.020 0.000 0.293 1131 S C -0.075 174.555 174.600 0.050 0.000 1.292 1131 S CA 0.143 58.368 58.200 0.042 0.000 1.063 1131 S CB -0.280 62.921 63.200 0.002 0.000 0.831 1131 S HN 0.582 nan 8.310 nan 0.000 0.499 1132 I N -1.061 119.577 120.570 0.114 0.000 3.343 1132 I HA 1.050 5.208 4.170 -0.020 0.000 0.315 1132 I C 0.174 176.403 176.117 0.187 0.000 1.153 1132 I CA -1.232 60.155 61.300 0.145 0.000 0.952 1132 I CB 1.983 40.090 38.000 0.178 0.000 1.287 1132 I HN 0.669 nan 8.210 nan 0.000 0.472 1133 G N 0.121 109.043 108.800 0.202 0.000 2.606 1133 G HA2 0.610 4.559 3.960 -0.020 0.000 0.300 1133 G HA3 0.610 4.559 3.960 -0.020 0.000 0.300 1133 G C -1.766 173.256 174.900 0.204 0.000 1.360 1133 G CA -0.490 44.634 45.100 0.041 0.000 0.783 1133 G HN 0.675 nan 8.290 nan 0.000 0.484 1134 T N 0.509 115.143 114.554 0.133 0.000 2.881 1134 T HA 0.640 4.978 4.350 -0.020 0.000 0.290 1134 T C -0.528 174.324 174.700 0.253 0.000 1.000 1134 T CA -0.141 62.106 62.100 0.245 0.000 0.978 1134 T CB 1.188 70.229 68.868 0.288 0.000 0.997 1134 T HN 0.452 nan 8.240 nan 0.000 0.443 1135 I N 4.050 124.788 120.570 0.280 0.000 2.569 1135 I HA 0.722 4.880 4.170 -0.020 0.000 0.296 1135 I C -0.947 175.373 176.117 0.338 0.000 1.028 1135 I CA -1.179 60.261 61.300 0.232 0.000 1.082 1135 I CB 1.664 39.756 38.000 0.154 0.000 1.264 1135 I HN 0.646 nan 8.210 nan 0.000 0.429 1136 F N 2.436 122.476 119.950 0.151 0.000 2.631 1136 F HA 0.949 5.463 4.527 -0.020 0.000 0.308 1136 F C -0.439 175.398 175.800 0.062 0.000 1.097 1136 F CA -0.930 57.156 58.000 0.142 0.000 0.952 1136 F CB 1.643 40.683 39.000 0.066 0.000 1.307 1136 F HN 0.440 nan 8.300 nan 0.000 0.450 1137 G N 1.953 110.868 108.800 0.191 0.000 2.682 1137 G HA2 0.694 4.643 3.960 -0.020 0.000 0.300 1137 G HA3 0.694 4.643 3.960 -0.020 0.000 0.300 1137 G C -2.029 172.850 174.900 -0.034 0.000 1.391 1137 G CA -0.955 44.117 45.100 -0.047 0.000 0.990 1137 G HN 0.794 nan 8.290 nan 0.000 0.501 1138 I N 1.272 121.696 120.570 -0.242 0.000 2.436 1138 I HA 0.414 4.572 4.170 -0.020 0.000 0.289 1138 I C -1.058 174.856 176.117 -0.337 0.000 1.010 1138 I CA -0.773 60.434 61.300 -0.156 0.000 1.098 1138 I CB 1.897 39.815 38.000 -0.137 0.000 1.266 1138 I HN 0.404 nan 8.210 nan 0.000 0.434 1139 Y N 4.250 124.606 120.300 0.094 0.000 2.549 1139 Y HA 0.588 5.126 4.550 -0.019 0.000 0.339 1139 Y C 0.198 176.241 175.900 0.238 0.000 1.053 1139 Y CA -0.873 57.292 58.100 0.109 0.000 1.105 1139 Y CB 1.489 39.988 38.460 0.065 0.000 1.258 1139 Y HN 0.344 nan 8.280 nan 0.000 0.478 1140 R N 1.384 122.094 120.500 0.351 0.000 2.349 1140 R HA 0.243 4.571 4.340 -0.020 0.000 0.299 1140 R C -0.440 175.927 176.300 0.112 0.000 1.027 1140 R CA -0.958 55.252 56.100 0.183 0.000 0.958 1140 R CB 1.113 31.471 30.300 0.098 0.000 1.047 1140 R HN 0.538 nan 8.270 nan 0.000 0.468 1141 K N 2.480 122.897 120.400 0.029 0.000 2.416 1141 K HA -0.035 4.273 4.320 -0.020 0.000 0.283 1141 K C 0.004 176.603 176.600 -0.001 0.000 1.037 1141 K CA 0.128 56.423 56.287 0.013 0.000 0.995 1141 K CB 0.308 32.805 32.500 -0.006 0.000 0.938 1141 K HN 0.685 nan 8.250 nan 0.000 0.475 1142 N N 1.786 120.490 118.700 0.006 0.000 2.575 1142 N HA 0.020 4.748 4.740 -0.020 0.000 0.275 1142 N C -1.395 174.112 175.510 -0.006 0.000 1.202 1142 N CA -0.572 52.481 53.050 0.004 0.000 0.945 1142 N CB 0.489 38.978 38.487 0.005 0.000 1.247 1142 N HN 0.450 nan 8.380 nan 0.000 0.510 1143 S N -3.156 112.538 115.700 -0.010 0.000 2.645 1143 S HA 0.191 4.649 4.470 -0.020 0.000 0.268 1143 S C -0.052 174.541 174.600 -0.012 0.000 1.110 1143 S CA -0.848 57.346 58.200 -0.010 0.000 0.823 1143 S CB 1.060 64.253 63.200 -0.012 0.000 1.091 1143 S HN -0.050 nan 8.310 nan 0.000 0.466 1144 T N 1.007 115.555 114.554 -0.010 0.000 3.037 1144 T HA 0.189 4.527 4.350 -0.020 0.000 0.252 1144 T C 0.008 174.704 174.700 -0.008 0.000 1.073 1144 T CA 1.102 63.197 62.100 -0.009 0.000 1.091 1144 T CB -0.684 68.180 68.868 -0.007 0.000 0.935 1144 T HN 0.857 nan 8.240 nan 0.000 0.488 1145 D N 1.597 121.993 120.400 -0.007 0.000 2.368 1145 D HA 0.046 4.674 4.640 -0.020 0.000 0.240 1145 D C 0.229 176.526 176.300 -0.005 0.000 1.169 1145 D CA -0.247 53.749 54.000 -0.006 0.000 0.906 1145 D CB 0.356 41.152 40.800 -0.007 0.000 1.187 1145 D HN -0.037 nan 8.370 nan 0.000 0.435 1146 E N 1.086 121.284 120.200 -0.004 0.000 2.529 1146 E HA 0.042 4.380 4.350 -0.020 0.000 0.259 1146 E C -1.839 174.760 176.600 -0.002 0.000 0.966 1146 E CA -1.007 55.392 56.400 -0.002 0.000 0.937 1146 E CB -0.026 29.674 29.700 -0.000 0.000 0.923 1146 E HN 0.414 nan 8.360 nan 0.000 0.468 1147 P HA -0.058 nan 4.420 nan 0.000 0.265 1147 P C -0.466 176.834 177.300 0.000 0.000 1.187 1147 P CA 0.291 63.392 63.100 0.002 0.000 0.766 1147 P CB 0.641 32.346 31.700 0.008 0.000 0.820 1148 S N -0.212 115.486 115.700 -0.004 0.000 2.615 1148 S HA 0.197 4.655 4.470 -0.020 0.000 0.269 1148 S C 0.991 175.583 174.600 -0.014 0.000 1.161 1148 S CA -0.692 57.504 58.200 -0.007 0.000 0.817 1148 S CB 1.431 64.626 63.200 -0.009 0.000 1.131 1148 S HN 0.412 nan 8.310 nan 0.000 0.467 1149 E N 1.400 121.591 120.200 -0.016 0.000 2.130 1149 E HA -0.266 4.072 4.350 -0.020 0.000 0.196 1149 E C 1.770 178.345 176.600 -0.042 0.000 0.998 1149 E CA 1.932 58.315 56.400 -0.028 0.000 0.806 1149 E CB -0.323 29.362 29.700 -0.026 0.000 0.738 1149 E HN 0.702 nan 8.360 nan 0.000 0.459 1150 K N 0.054 120.432 120.400 -0.038 0.000 2.281 1150 K HA -0.178 4.130 4.320 -0.020 0.000 0.203 1150 K C 1.265 177.826 176.600 -0.065 0.000 1.046 1150 K CA 1.677 57.934 56.287 -0.049 0.000 0.938 1150 K CB 0.020 32.498 32.500 -0.037 0.000 0.737 1150 K HN 0.085 nan 8.250 nan 0.000 0.458 1151 D N 1.193 121.561 120.400 -0.053 0.000 2.310 1151 D HA -0.061 4.567 4.640 -0.020 0.000 0.212 1151 D C 1.603 177.837 176.300 -0.110 0.000 0.965 1151 D CA 1.164 55.127 54.000 -0.063 0.000 0.879 1151 D CB 0.191 40.976 40.800 -0.025 0.000 0.921 1151 D HN 0.500 nan 8.370 nan 0.000 0.510 1152 A N 0.148 122.902 122.820 -0.109 0.000 2.178 1152 A HA 0.083 4.391 4.320 -0.020 0.000 0.211 1152 A C 1.470 178.909 177.584 -0.242 0.000 1.157 1152 A CA -0.055 51.886 52.037 -0.160 0.000 0.780 1152 A CB -0.135 18.821 19.000 -0.073 0.000 0.828 1152 A HN 0.148 nan 8.150 nan 0.000 0.476 1153 L N 1.380 122.489 121.223 -0.191 0.000 2.727 1153 L HA 0.150 4.478 4.340 -0.020 0.000 0.237 1153 L C -0.172 176.577 176.870 -0.203 0.000 1.370 1153 L CA -0.079 54.659 54.840 -0.170 0.000 1.248 1153 L CB -0.433 41.562 42.059 -0.107 0.000 1.556 1153 L HN 0.445 nan 8.230 nan 0.000 0.420 1154 Q N 1.706 121.297 119.800 -0.350 0.000 2.266 1154 Q HA 0.461 4.790 4.340 -0.020 0.000 0.261 1154 Q C -2.283 173.596 176.000 -0.202 0.000 0.985 1154 Q CA -2.093 53.514 55.803 -0.327 0.000 0.873 1154 Q CB 2.004 30.412 28.738 -0.551 0.000 1.306 1154 Q HN 0.077 nan 8.270 nan 0.000 0.447 1155 P HA -0.033 nan 4.420 nan 0.000 0.271 1155 P C 0.271 177.669 177.300 0.163 0.000 1.218 1155 P CA 0.120 63.241 63.100 0.034 0.000 0.780 1155 P CB 0.704 32.426 31.700 0.036 0.000 0.901 1156 G N 2.240 111.149 108.800 0.182 0.000 2.498 1156 G HA2 -0.250 3.698 3.960 -0.020 0.000 0.219 1156 G HA3 -0.250 3.698 3.960 -0.020 0.000 0.219 1156 G C 1.593 176.611 174.900 0.197 0.000 1.119 1156 G CA 0.229 45.472 45.100 0.237 0.000 0.766 1156 G HN 0.420 nan 8.290 nan 0.000 0.552 1157 R N 0.784 121.387 120.500 0.171 0.000 2.200 1157 R HA -0.026 4.302 4.340 -0.020 0.000 0.234 1157 R C 1.509 177.912 176.300 0.171 0.000 1.127 1157 R CA 1.113 57.312 56.100 0.164 0.000 0.989 1157 R CB -0.236 30.133 30.300 0.115 0.000 0.869 1157 R HN 0.244 nan 8.270 nan 0.000 0.459 1158 N N -0.326 118.503 118.700 0.216 0.000 2.398 1158 N HA 0.047 4.776 4.740 -0.020 0.000 0.188 1158 N C -0.294 175.312 175.510 0.160 0.000 1.122 1158 N CA 0.114 53.302 53.050 0.230 0.000 0.866 1158 N CB 0.071 38.725 38.487 0.278 0.000 0.970 1158 N HN 0.178 nan 8.380 nan 0.000 0.462 1159 L N 0.860 122.011 121.223 -0.120 0.000 2.514 1159 L HA -0.041 4.287 4.340 -0.020 0.000 0.280 1159 L C 1.574 178.198 176.870 -0.410 0.000 1.223 1159 L CA -0.114 54.331 54.840 -0.659 0.000 0.864 1159 L CB 0.686 42.099 42.059 -1.077 0.000 1.118 1159 L HN 0.024 nan 8.230 nan 0.000 0.494 1160 V N -0.605 119.099 119.914 -0.349 0.000 3.661 1160 V HA 0.602 4.710 4.120 -0.020 0.000 0.271 1160 V C 0.455 176.457 176.094 -0.154 0.000 1.315 1160 V CA 0.551 62.775 62.300 -0.126 0.000 1.072 1160 V CB 0.133 31.968 31.823 0.019 0.000 0.830 1160 V HN 0.741 nan 8.190 nan 0.000 0.443 1161 A N -0.475 122.147 122.820 -0.330 0.000 2.594 1161 A HA 0.964 5.273 4.320 -0.020 0.000 0.296 1161 A C -0.737 176.687 177.584 -0.268 0.000 1.061 1161 A CA 0.090 52.031 52.037 -0.160 0.000 0.689 1161 A CB 1.283 20.254 19.000 -0.048 0.000 1.280 1161 A HN 1.781 nan 8.150 nan 0.000 0.406 1162 A N -0.035 122.700 122.820 -0.143 0.000 2.601 1162 A HA 1.067 5.375 4.320 -0.020 0.000 0.291 1162 A C -0.012 177.268 177.584 -0.507 0.000 1.075 1162 A CA 0.200 52.034 52.037 -0.338 0.000 0.671 1162 A CB 0.920 19.742 19.000 -0.297 0.000 1.277 1162 A HN 2.836 nan 8.150 nan 0.000 0.417 1163 G N -1.189 106.947 108.800 -1.106 0.000 2.360 1163 G HA2 0.667 4.615 3.960 -0.020 0.000 0.276 1163 G HA3 0.667 4.615 3.960 -0.020 0.000 0.276 1163 G C -1.466 172.921 174.900 -0.854 0.000 1.256 1163 G CA 0.470 45.056 45.100 -0.857 0.000 0.890 1163 G HN 2.273 nan 8.290 nan 0.000 0.486 1164 Y N -2.464 117.615 120.300 -0.369 0.000 2.656 1164 Y HA 0.848 5.385 4.550 -0.022 0.000 0.334 1164 Y C -0.248 175.636 175.900 -0.025 0.000 1.179 1164 Y CA -1.299 56.724 58.100 -0.130 0.000 1.050 1164 Y CB 1.146 39.521 38.460 -0.141 0.000 1.308 1164 Y HN 1.418 nan 8.280 nan 0.000 0.456 1165 A N 1.999 124.891 122.820 0.119 0.000 2.318 1165 A HA 0.721 5.029 4.320 -0.020 0.000 0.324 1165 A C -1.876 175.528 177.584 -0.300 0.000 1.170 1165 A CA -0.676 51.276 52.037 -0.141 0.000 0.810 1165 A CB 1.221 20.076 19.000 -0.241 0.000 1.198 1165 A HN 0.842 nan 8.150 nan 0.000 0.484 1166 L N 3.002 124.039 121.223 -0.311 0.000 2.298 1166 L HA 0.593 4.921 4.340 -0.020 0.000 0.284 1166 L C -1.610 175.029 176.870 -0.386 0.000 1.013 1166 L CA -0.375 54.277 54.840 -0.314 0.000 0.824 1166 L CB 0.628 42.575 42.059 -0.186 0.000 1.221 1166 L HN 0.566 nan 8.230 nan 0.000 0.418 1167 Y N 5.264 125.594 120.300 0.048 0.000 2.714 1167 Y HA 0.656 5.192 4.550 -0.023 0.000 0.333 1167 Y C 0.949 176.864 175.900 0.025 0.000 1.220 1167 Y CA -0.176 57.951 58.100 0.045 0.000 1.513 1167 Y CB 0.298 38.790 38.460 0.055 0.000 1.435 1167 Y HN 0.706 nan 8.280 nan 0.000 0.489 1168 G N 0.234 109.086 108.800 0.086 0.000 3.135 1168 G HA2 0.234 4.182 3.960 -0.020 0.000 0.159 1168 G HA3 0.234 4.182 3.960 -0.020 0.000 0.159 1168 G C 0.843 175.776 174.900 0.055 0.000 1.244 1168 G CA -0.183 44.945 45.100 0.047 0.000 0.965 1168 G HN 0.385 nan 8.290 nan 0.000 0.599 1169 S N -0.904 114.818 115.700 0.037 0.000 2.419 1169 S HA 0.316 4.775 4.470 -0.020 0.000 0.233 1169 S C 1.004 175.626 174.600 0.038 0.000 1.016 1169 S CA 1.239 59.463 58.200 0.039 0.000 0.974 1169 S CB -0.297 62.924 63.200 0.034 0.000 0.786 1169 S HN 1.348 nan 8.310 nan 0.000 0.492 1170 A N 0.209 123.049 122.820 0.034 0.000 2.485 1170 A HA 0.716 5.024 4.320 -0.020 0.000 0.292 1170 A C -0.474 177.135 177.584 0.042 0.000 1.147 1170 A CA -0.723 51.334 52.037 0.033 0.000 0.750 1170 A CB 1.154 20.167 19.000 0.022 0.000 1.331 1170 A HN 0.157 nan 8.150 nan 0.000 0.419 1171 T N 1.651 116.239 114.554 0.057 0.000 2.767 1171 T HA 0.540 4.878 4.350 -0.020 0.000 0.288 1171 T C -0.318 174.437 174.700 0.091 0.000 0.963 1171 T CA 0.164 62.319 62.100 0.092 0.000 1.019 1171 T CB 0.339 69.316 68.868 0.182 0.000 0.923 1171 T HN 0.589 nan 8.240 nan 0.000 0.468 1172 M N 4.311 123.931 119.600 0.032 0.000 2.393 1172 M HA 0.614 5.082 4.480 -0.020 0.000 0.316 1172 M C -1.814 174.500 176.300 0.022 0.000 1.087 1172 M CA -1.122 54.201 55.300 0.038 0.000 0.937 1172 M CB 1.322 33.849 32.600 -0.122 0.000 1.668 1172 M HN 0.353 nan 8.290 nan 0.000 0.438 1173 L N 5.842 127.111 121.223 0.076 0.000 2.280 1173 L HA 0.566 4.895 4.340 -0.020 0.000 0.287 1173 L C -1.399 175.419 176.870 -0.087 0.000 1.023 1173 L CA -0.452 54.327 54.840 -0.103 0.000 0.819 1173 L CB 1.500 43.330 42.059 -0.381 0.000 1.212 1173 L HN 0.537 nan 8.230 nan 0.000 0.420 1174 V N 6.416 126.113 119.914 -0.362 0.000 2.370 1174 V HA 0.444 4.552 4.120 -0.020 0.000 0.279 1174 V C -0.389 175.517 176.094 -0.312 0.000 1.029 1174 V CA -0.612 61.429 62.300 -0.432 0.000 0.870 1174 V CB 1.535 32.792 31.823 -0.944 0.000 0.984 1174 V HN 0.605 nan 8.190 nan 0.000 0.451 1175 L N 5.489 126.673 121.223 -0.066 0.000 2.349 1175 L HA 0.906 5.234 4.340 -0.020 0.000 0.278 1175 L C -0.016 176.882 176.870 0.046 0.000 0.996 1175 L CA -0.241 54.620 54.840 0.035 0.000 0.825 1175 L CB 1.469 43.618 42.059 0.150 0.000 1.243 1175 L HN 0.692 nan 8.230 nan 0.000 0.412 1176 A N 6.343 129.199 122.820 0.061 0.000 2.330 1176 A HA 0.924 5.232 4.320 -0.020 0.000 0.327 1176 A C -0.615 177.128 177.584 0.265 0.000 1.155 1176 A CA -0.542 51.566 52.037 0.118 0.000 0.803 1176 A CB 0.945 19.998 19.000 0.089 0.000 1.208 1176 A HN 0.815 nan 8.150 nan 0.000 0.477 1177 M N 1.325 121.057 119.600 0.221 0.000 2.846 1177 M HA 0.297 4.765 4.480 -0.020 0.000 0.282 1177 M C 1.089 177.498 176.300 0.182 0.000 1.266 1177 M CA -0.681 54.771 55.300 0.252 0.000 0.766 1177 M CB 1.486 34.197 32.600 0.186 0.000 1.739 1177 M HN 0.440 nan 8.290 nan 0.000 0.442 1178 V N 0.938 120.957 119.914 0.175 0.000 2.380 1178 V HA -0.256 3.852 4.120 -0.020 0.000 0.251 1178 V C 0.986 177.110 176.094 0.050 0.000 1.063 1178 V CA 2.540 64.910 62.300 0.116 0.000 1.055 1178 V CB -0.577 31.309 31.823 0.105 0.000 0.657 1178 V HN 0.821 nan 8.190 nan 0.000 0.455 1179 N N -0.403 118.335 118.700 0.063 0.000 2.270 1179 N HA 0.440 5.168 4.740 -0.020 0.000 0.198 1179 N C 0.235 175.769 175.510 0.041 0.000 1.117 1179 N CA 0.437 53.514 53.050 0.044 0.000 0.845 1179 N CB 0.765 39.282 38.487 0.051 0.000 0.980 1179 N HN 0.662 nan 8.380 nan 0.000 0.486 1180 G N -0.448 108.370 108.800 0.030 0.000 2.369 1180 G HA2 0.077 4.025 3.960 -0.020 0.000 0.293 1180 G HA3 0.077 4.025 3.960 -0.020 0.000 0.293 1180 G C -1.877 173.033 174.900 0.017 0.000 1.301 1180 G CA -0.884 44.222 45.100 0.009 0.000 0.913 1180 G HN -0.083 nan 8.290 nan 0.000 0.540 1181 V N 1.532 121.437 119.914 -0.015 0.000 2.555 1181 V HA 0.697 4.805 4.120 -0.020 0.000 0.302 1181 V C -0.451 175.589 176.094 -0.091 0.000 1.038 1181 V CA -0.998 61.277 62.300 -0.041 0.000 0.887 1181 V CB 1.738 33.525 31.823 -0.060 0.000 0.991 1181 V HN 0.700 nan 8.190 nan 0.000 0.434 1182 N N 1.801 120.409 118.700 -0.152 0.000 2.242 1182 N HA 0.524 5.252 4.740 -0.020 0.000 0.292 1182 N C -1.505 173.743 175.510 -0.437 0.000 1.125 1182 N CA -0.363 52.453 53.050 -0.390 0.000 0.783 1182 N CB 2.298 40.358 38.487 -0.710 0.000 1.558 1182 N HN 0.549 nan 8.380 nan 0.000 0.472 1183 C N 1.712 120.683 119.300 -0.549 0.000 2.351 1183 C HA 0.633 5.081 4.460 -0.020 0.000 0.326 1183 C C -0.625 174.032 174.990 -0.555 0.000 1.272 1183 C CA -0.649 58.151 59.018 -0.363 0.000 1.650 1183 C CB -0.987 26.662 27.740 -0.151 0.000 2.257 1183 C HN 0.554 nan 8.230 nan 0.000 0.505 1184 F N 2.776 122.682 119.950 -0.073 0.000 2.493 1184 F HA 0.564 5.077 4.527 -0.023 0.000 0.329 1184 F C 0.175 176.053 175.800 0.130 0.000 1.126 1184 F CA -0.670 57.341 58.000 0.019 0.000 0.937 1184 F CB 1.247 40.270 39.000 0.038 0.000 1.146 1184 F HN 0.440 nan 8.300 nan 0.000 0.442 1185 M N 4.436 124.178 119.600 0.236 0.000 2.264 1185 M HA 0.488 4.956 4.480 -0.020 0.000 0.352 1185 M C -1.136 175.202 176.300 0.062 0.000 1.173 1185 M CA -1.161 54.229 55.300 0.150 0.000 1.075 1185 M CB 1.122 33.755 32.600 0.055 0.000 1.621 1185 M HN 0.628 nan 8.290 nan 0.000 0.457 1186 L N 5.104 126.274 121.223 -0.089 0.000 2.418 1186 L HA 0.189 4.517 4.340 -0.020 0.000 0.274 1186 L C -0.555 176.174 176.870 -0.235 0.000 1.135 1186 L CA 0.620 55.167 54.840 -0.488 0.000 0.870 1186 L CB 0.295 42.004 42.059 -0.583 0.000 1.154 1186 L HN 0.606 nan 8.230 nan 0.000 0.462 1187 D N 7.276 127.544 120.400 -0.220 0.000 2.365 1187 D HA 0.227 4.855 4.640 -0.020 0.000 0.237 1187 D C -1.883 174.339 176.300 -0.131 0.000 1.190 1187 D CA -1.950 51.977 54.000 -0.122 0.000 0.867 1187 D CB 1.692 42.443 40.800 -0.081 0.000 1.050 1187 D HN 0.398 nan 8.370 nan 0.000 0.491 1188 P HA -0.046 nan 4.420 nan 0.000 0.220 1188 P C 0.894 178.156 177.300 -0.064 0.000 1.148 1188 P CA 0.731 63.782 63.100 -0.082 0.000 0.803 1188 P CB 0.301 31.970 31.700 -0.051 0.000 0.782 1189 A N 0.009 122.798 122.820 -0.052 0.000 1.929 1189 A HA -0.080 4.228 4.320 -0.020 0.000 0.216 1189 A C 1.940 179.501 177.584 -0.039 0.000 1.176 1189 A CA 1.515 53.529 52.037 -0.038 0.000 0.628 1189 A CB -1.187 17.796 19.000 -0.028 0.000 0.816 1189 A HN 0.362 nan 8.150 nan 0.000 0.444 1190 I N -5.576 114.964 120.570 -0.049 0.000 4.154 1190 I HA 0.506 4.664 4.170 -0.020 0.000 0.334 1190 I C 1.033 177.114 176.117 -0.059 0.000 1.371 1190 I CA 0.337 61.611 61.300 -0.043 0.000 1.110 1190 I CB 0.141 38.123 38.000 -0.031 0.000 1.085 1190 I HN 0.301 nan 8.210 nan 0.000 0.398 1191 G N 2.062 110.804 108.800 -0.096 0.000 2.314 1191 G HA2 -0.198 3.750 3.960 -0.020 0.000 0.292 1191 G HA3 -0.198 3.750 3.960 -0.020 0.000 0.292 1191 G C -0.386 174.437 174.900 -0.130 0.000 1.059 1191 G CA 0.163 45.189 45.100 -0.123 0.000 0.982 1191 G HN 0.544 nan 8.290 nan 0.000 0.505 1192 E N -1.061 119.036 120.200 -0.171 0.000 2.293 1192 E HA 0.533 4.871 4.350 -0.020 0.000 0.270 1192 E C -0.553 175.917 176.600 -0.216 0.000 0.879 1192 E CA -0.893 55.444 56.400 -0.105 0.000 0.756 1192 E CB 1.260 30.950 29.700 -0.015 0.000 1.208 1192 E HN 0.101 nan 8.360 nan 0.000 0.428 1193 F N 2.183 122.136 119.950 0.005 0.000 2.424 1193 F HA 0.267 4.795 4.527 0.002 0.000 0.356 1193 F C 0.569 176.442 175.800 0.121 0.000 1.110 1193 F CA -0.420 57.606 58.000 0.044 0.000 1.161 1193 F CB 0.612 39.596 39.000 -0.027 0.000 1.115 1193 F HN 0.147 nan 8.300 nan 0.000 0.507 1194 I N 4.991 125.729 120.570 0.280 0.000 2.377 1194 I HA 0.176 4.334 4.170 -0.020 0.000 0.293 1194 I C -0.228 176.036 176.117 0.245 0.000 0.987 1194 I CA -1.041 60.399 61.300 0.233 0.000 1.185 1194 I CB 1.404 39.465 38.000 0.101 0.000 1.341 1194 I HN 0.372 nan 8.210 nan 0.000 0.455 1195 L N 8.245 129.594 121.223 0.210 0.000 2.584 1195 L HA 0.034 4.362 4.340 -0.020 0.000 0.272 1195 L C 0.836 177.614 176.870 -0.153 0.000 1.195 1195 L CA 0.697 55.422 54.840 -0.192 0.000 0.920 1195 L CB 0.555 42.507 42.059 -0.180 0.000 1.173 1195 L HN 0.551 nan 8.230 nan 0.000 0.489 1196 V N -0.269 119.510 119.914 -0.225 0.000 3.539 1196 V HA 0.474 4.583 4.120 -0.020 0.000 0.262 1196 V C -0.056 175.953 176.094 -0.141 0.000 1.381 1196 V CA 0.083 62.309 62.300 -0.123 0.000 1.060 1196 V CB 0.328 32.116 31.823 -0.059 0.000 0.842 1196 V HN 0.728 nan 8.190 nan 0.000 0.445 1197 D N 1.527 121.790 120.400 -0.228 0.000 2.686 1197 D HA 0.496 5.124 4.640 -0.020 0.000 0.249 1197 D C -0.928 175.227 176.300 -0.242 0.000 1.260 1197 D CA -0.235 53.660 54.000 -0.176 0.000 0.910 1197 D CB 2.425 43.154 40.800 -0.119 0.000 1.323 1197 D HN 0.289 nan 8.370 nan 0.000 0.561 1198 R N 1.067 121.467 120.500 -0.167 0.000 2.312 1198 R HA 0.270 4.598 4.340 -0.020 0.000 0.311 1198 R C -0.169 176.083 176.300 -0.081 0.000 1.004 1198 R CA -0.657 55.357 56.100 -0.143 0.000 0.902 1198 R CB 0.634 30.896 30.300 -0.064 0.000 1.073 1198 R HN 0.222 nan 8.270 nan 0.000 0.457 1199 D N 1.391 121.754 120.400 -0.062 0.000 2.735 1199 D HA -0.146 4.482 4.640 -0.020 0.000 0.235 1199 D C -0.873 175.405 176.300 -0.038 0.000 1.175 1199 D CA 0.432 54.419 54.000 -0.023 0.000 0.683 1199 D CB -0.372 40.433 40.800 0.008 0.000 1.008 1199 D HN 0.231 nan 8.370 nan 0.000 0.416 1200 V N 2.186 122.064 119.914 -0.059 0.000 2.585 1200 V HA 0.110 4.218 4.120 -0.020 0.000 0.296 1200 V C 0.953 177.024 176.094 -0.039 0.000 1.035 1200 V CA 0.370 62.638 62.300 -0.054 0.000 1.084 1200 V CB 1.289 33.071 31.823 -0.068 0.000 0.953 1200 V HN 0.101 nan 8.190 nan 0.000 0.483 1201 K N 4.619 125.001 120.400 -0.029 0.000 2.378 1201 K HA 0.540 4.848 4.320 -0.020 0.000 0.252 1201 K C -0.532 176.059 176.600 -0.016 0.000 0.931 1201 K CA -0.756 55.518 56.287 -0.022 0.000 0.794 1201 K CB 2.918 35.409 32.500 -0.015 0.000 1.181 1201 K HN 0.597 nan 8.250 nan 0.000 0.425 1202 I N 1.994 122.557 120.570 -0.011 0.000 2.638 1202 I HA 0.050 4.208 4.170 -0.020 0.000 0.286 1202 I C 0.238 176.361 176.117 0.010 0.000 1.088 1202 I CA -0.255 61.045 61.300 0.000 0.000 1.397 1202 I CB 0.652 38.656 38.000 0.006 0.000 1.414 1202 I HN 0.363 nan 8.210 nan 0.000 0.566 1203 K N 5.886 126.297 120.400 0.017 0.000 2.485 1203 K HA -0.018 4.290 4.320 -0.020 0.000 0.277 1203 K C 0.866 177.482 176.600 0.027 0.000 0.990 1203 K CA -0.352 55.946 56.287 0.018 0.000 0.994 1203 K CB 0.478 32.989 32.500 0.018 0.000 0.906 1203 K HN 0.437 nan 8.250 nan 0.000 0.488 1204 K N 1.900 122.315 120.400 0.026 0.000 2.152 1204 K HA -0.119 4.189 4.320 -0.020 0.000 0.206 1204 K C 0.388 177.020 176.600 0.053 0.000 1.048 1204 K CA 1.412 57.720 56.287 0.034 0.000 0.933 1204 K CB -0.030 32.487 32.500 0.029 0.000 0.721 1204 K HN 0.437 nan 8.250 nan 0.000 0.447 1205 K N -0.578 119.854 120.400 0.053 0.000 2.501 1205 K HA 0.403 4.711 4.320 -0.020 0.000 0.252 1205 K C -0.459 176.167 176.600 0.043 0.000 0.934 1205 K CA -0.444 55.890 56.287 0.078 0.000 0.797 1205 K CB 1.935 34.487 32.500 0.087 0.000 1.270 1205 K HN 0.068 nan 8.250 nan 0.000 0.431 1206 G N -0.062 108.768 108.800 0.049 0.000 2.971 1206 G HA2 0.389 4.338 3.960 -0.020 0.000 0.235 1206 G HA3 0.389 4.338 3.960 -0.020 0.000 0.235 1206 G C -0.236 174.458 174.900 -0.343 0.000 1.351 1206 G CA -0.397 44.669 45.100 -0.056 0.000 1.039 1206 G HN 0.602 nan 8.290 nan 0.000 0.563 1207 S N -1.465 113.952 115.700 -0.471 0.000 3.053 1207 S HA 0.425 4.883 4.470 -0.020 0.000 0.255 1207 S C -0.112 174.173 174.600 -0.525 0.000 0.976 1207 S CA -0.295 57.331 58.200 -0.955 0.000 1.159 1207 S CB -0.271 62.627 63.200 -0.503 0.000 1.110 1207 S HN 0.356 nan 8.310 nan 0.000 0.633 1208 I N 2.681 123.183 120.570 -0.114 0.000 2.545 1208 I HA 0.552 4.710 4.170 -0.020 0.000 0.292 1208 I C -1.094 175.267 176.117 0.407 0.000 1.040 1208 I CA -1.300 60.096 61.300 0.160 0.000 1.068 1208 I CB 2.014 40.082 38.000 0.114 0.000 1.251 1208 I HN 0.388 nan 8.210 nan 0.000 0.424 1209 Y N 3.351 123.836 120.300 0.309 0.000 2.429 1209 Y HA 0.770 5.308 4.550 -0.019 0.000 0.342 1209 Y C -0.574 175.455 175.900 0.215 0.000 1.004 1209 Y CA -1.357 56.907 58.100 0.274 0.000 1.075 1209 Y CB 1.782 40.378 38.460 0.227 0.000 1.214 1209 Y HN 0.402 nan 8.280 nan 0.000 0.455 1210 S N 5.725 121.543 115.700 0.196 0.000 2.774 1210 S HA 0.749 5.207 4.470 -0.020 0.000 0.297 1210 S C -1.390 173.297 174.600 0.146 0.000 1.143 1210 S CA -0.521 57.807 58.200 0.215 0.000 1.090 1210 S CB -0.048 63.417 63.200 0.442 0.000 1.019 1210 S HN 0.834 nan 8.310 nan 0.000 0.482 1211 I N 3.767 124.312 120.570 -0.040 0.000 2.882 1211 I HA 0.396 4.554 4.170 -0.020 0.000 0.298 1211 I C -1.485 174.118 176.117 -0.856 0.000 1.462 1211 I CA -0.726 60.346 61.300 -0.379 0.000 1.000 1211 I CB 1.872 39.768 38.000 -0.174 0.000 1.340 1211 I HN 0.553 nan 8.210 nan 0.000 0.462 1212 N N 4.877 122.933 118.700 -1.074 0.000 2.415 1212 N HA 0.140 4.868 4.740 -0.020 0.000 0.250 1212 N C 0.235 175.667 175.510 -0.130 0.000 1.127 1212 N CA 0.284 52.889 53.050 -0.742 0.000 0.945 1212 N CB 0.630 38.864 38.487 -0.421 0.000 1.196 1212 N HN 0.575 nan 8.380 nan 0.000 0.499 1213 E N 1.568 121.719 120.200 -0.082 0.000 2.511 1213 E HA -0.015 4.323 4.350 -0.020 0.000 0.196 1213 E C 1.371 177.907 176.600 -0.107 0.000 1.066 1213 E CA 0.051 56.496 56.400 0.076 0.000 0.871 1213 E CB 0.182 29.950 29.700 0.113 0.000 0.863 1213 E HN 0.717 nan 8.360 nan 0.000 0.520 1214 G N 0.388 109.049 108.800 -0.232 0.000 2.498 1214 G HA2 -0.227 3.721 3.960 -0.020 0.000 0.219 1214 G HA3 -0.227 3.721 3.960 -0.020 0.000 0.219 1214 G C 0.779 175.374 174.900 -0.509 0.000 1.119 1214 G CA 0.320 45.210 45.100 -0.350 0.000 0.766 1214 G HN 0.267 nan 8.290 nan 0.000 0.552 1215 Y N 0.759 120.823 120.300 -0.392 0.000 2.462 1215 Y HA 0.423 4.961 4.550 -0.020 0.000 0.293 1215 Y C 2.482 177.660 175.900 -1.203 0.000 1.195 1215 Y CA -0.556 57.142 58.100 -0.670 0.000 1.276 1215 Y CB -0.206 37.889 38.460 -0.609 0.000 1.082 1215 Y HN 0.220 nan 8.280 nan 0.000 0.514 1216 A N 0.687 123.047 122.820 -0.766 0.000 1.917 1216 A HA -0.296 4.012 4.320 -0.020 0.000 0.219 1216 A C 2.301 179.663 177.584 -0.370 0.000 1.182 1216 A CA 1.989 53.687 52.037 -0.566 0.000 0.633 1216 A CB -0.448 18.463 19.000 -0.147 0.000 0.819 1216 A HN 0.448 nan 8.150 nan 0.000 0.448 1217 K N -0.730 119.513 120.400 -0.262 0.000 2.362 1217 K HA -0.120 4.188 4.320 -0.020 0.000 0.200 1217 K C 0.857 177.384 176.600 -0.122 0.000 1.046 1217 K CA 1.331 57.533 56.287 -0.141 0.000 0.952 1217 K CB 0.042 32.482 32.500 -0.099 0.000 0.753 1217 K HN 0.461 nan 8.250 nan 0.000 0.466 1218 E N -0.275 119.807 120.200 -0.197 0.000 2.489 1218 E HA 0.046 4.384 4.350 -0.020 0.000 0.204 1218 E C -0.218 176.378 176.600 -0.006 0.000 1.006 1218 E CA -0.065 56.281 56.400 -0.090 0.000 0.936 1218 E CB 0.202 29.870 29.700 -0.054 0.000 1.002 1218 E HN 0.063 nan 8.360 nan 0.000 0.488 1219 F N 3.094 123.046 119.950 0.003 0.000 2.496 1219 F HA 0.052 4.567 4.527 -0.020 0.000 0.344 1219 F C 1.240 177.011 175.800 -0.049 0.000 1.155 1219 F CA -1.488 56.496 58.000 -0.028 0.000 1.302 1219 F CB 0.083 39.059 39.000 -0.041 0.000 1.159 1219 F HN -0.098 nan 8.300 nan 0.000 0.595 1220 D N 2.107 122.603 120.400 0.160 0.000 2.371 1220 D HA 0.187 4.815 4.640 -0.020 0.000 0.242 1220 D C -2.248 173.985 176.300 -0.111 0.000 1.218 1220 D CA -1.558 52.446 54.000 0.007 0.000 0.945 1220 D CB 0.152 40.956 40.800 0.007 0.000 1.137 1220 D HN 0.143 nan 8.370 nan 0.000 0.464 1221 P HA -0.055 nan 4.420 nan 0.000 0.220 1221 P C 0.974 177.930 177.300 -0.574 0.000 1.148 1221 P CA 1.778 64.679 63.100 -0.332 0.000 0.803 1221 P CB -0.005 31.492 31.700 -0.338 0.000 0.782 1222 A N -0.283 122.085 122.820 -0.754 0.000 1.872 1222 A HA -0.126 4.182 4.320 -0.020 0.000 0.214 1222 A C 2.105 179.376 177.584 -0.521 0.000 1.187 1222 A CA 1.176 52.721 52.037 -0.821 0.000 0.614 1222 A CB -1.399 16.785 19.000 -1.360 0.000 0.826 1222 A HN -0.002 nan 8.150 nan 0.000 0.442 1223 I N 0.427 120.713 120.570 -0.473 0.000 2.208 1223 I HA -0.195 3.963 4.170 -0.020 0.000 0.245 1223 I C 2.504 178.482 176.117 -0.232 0.000 1.097 1223 I CA 2.047 63.134 61.300 -0.355 0.000 1.363 1223 I CB -1.878 35.818 38.000 -0.506 0.000 1.051 1223 I HN 0.253 nan 8.210 nan 0.000 0.413 1224 T N 0.206 114.668 114.554 -0.152 0.000 2.746 1224 T HA -0.231 4.107 4.350 -0.020 0.000 0.267 1224 T C 1.841 176.497 174.700 -0.072 0.000 1.039 1224 T CA 1.687 63.762 62.100 -0.042 0.000 1.142 1224 T CB -0.197 68.670 68.868 -0.002 0.000 0.866 1224 T HN 0.436 nan 8.240 nan 0.000 0.444 1225 E N -0.359 119.780 120.200 -0.101 0.000 2.106 1225 E HA -0.166 4.172 4.350 -0.020 0.000 0.192 1225 E C 2.012 178.572 176.600 -0.067 0.000 0.984 1225 E CA 0.812 57.176 56.400 -0.061 0.000 0.806 1225 E CB -0.218 29.476 29.700 -0.010 0.000 0.750 1225 E HN 0.625 nan 8.360 nan 0.000 0.458 1226 Y N 1.140 121.319 120.300 -0.202 0.000 2.145 1226 Y HA -0.173 4.365 4.550 -0.020 0.000 0.286 1226 Y C 1.952 177.680 175.900 -0.285 0.000 1.145 1226 Y CA 1.880 59.844 58.100 -0.226 0.000 1.148 1226 Y CB -0.152 38.167 38.460 -0.235 0.000 0.981 1226 Y HN 0.031 nan 8.280 nan 0.000 0.507 1227 I N 0.105 120.515 120.570 -0.267 0.000 2.226 1227 I HA -0.330 3.828 4.170 -0.020 0.000 0.245 1227 I C 2.596 178.507 176.117 -0.344 0.000 1.100 1227 I CA 1.533 62.577 61.300 -0.427 0.000 1.374 1227 I CB -0.546 37.330 38.000 -0.206 0.000 1.057 1227 I HN 0.324 nan 8.210 nan 0.000 0.413 1228 Q N 1.262 120.962 119.800 -0.168 0.000 2.135 1228 Q HA -0.244 4.084 4.340 -0.020 0.000 0.204 1228 Q C 2.306 178.275 176.000 -0.052 0.000 0.981 1228 Q CA 1.631 57.412 55.803 -0.037 0.000 0.856 1228 Q CB -0.163 28.550 28.738 -0.042 0.000 0.902 1228 Q HN 0.439 nan 8.270 nan 0.000 0.425 1229 R N -0.137 120.236 120.500 -0.212 0.000 2.115 1229 R HA -0.081 4.247 4.340 -0.020 0.000 0.230 1229 R C 1.985 178.054 176.300 -0.384 0.000 1.111 1229 R CA 0.900 56.853 56.100 -0.246 0.000 0.976 1229 R CB 0.190 30.316 30.300 -0.290 0.000 0.870 1229 R HN 0.002 nan 8.270 nan 0.000 0.445 1230 K N 0.666 120.688 120.400 -0.630 0.000 2.148 1230 K HA -0.114 4.194 4.320 -0.020 0.000 0.204 1230 K C 1.775 178.160 176.600 -0.358 0.000 1.050 1230 K CA 1.361 57.230 56.287 -0.697 0.000 0.942 1230 K CB 0.029 31.880 32.500 -1.083 0.000 0.724 1230 K HN 0.252 nan 8.250 nan 0.000 0.446 1231 K N -0.814 119.417 120.400 -0.282 0.000 2.211 1231 K HA 0.076 4.384 4.320 -0.020 0.000 0.201 1231 K C 0.161 176.438 176.600 -0.538 0.000 1.052 1231 K CA 0.513 56.612 56.287 -0.312 0.000 0.973 1231 K CB 0.260 32.631 32.500 -0.216 0.000 0.766 1231 K HN -0.043 nan 8.250 nan 0.000 0.466 1232 F N 1.575 121.454 119.950 -0.118 0.000 2.531 1232 F HA 0.287 4.802 4.527 -0.020 0.000 0.333 1232 F C -2.533 173.211 175.800 -0.094 0.000 1.292 1232 F CA -2.744 55.207 58.000 -0.082 0.000 1.184 1232 F CB 0.890 39.847 39.000 -0.072 0.000 1.426 1232 F HN -0.246 nan 8.300 nan 0.000 0.559 1233 P HA 0.081 nan 4.420 nan 0.000 0.268 1233 P C -1.835 175.473 177.300 0.013 0.000 1.204 1233 P CA -1.183 61.903 63.100 -0.024 0.000 0.768 1233 P CB 0.528 32.211 31.700 -0.029 0.000 0.842 1234 P HA -0.089 nan 4.420 nan 0.000 0.233 1234 P C 0.293 177.599 177.300 0.009 0.000 1.167 1234 P CA 1.162 64.267 63.100 0.008 0.000 0.770 1234 P CB 0.095 31.791 31.700 -0.006 0.000 0.837 1235 D N -1.200 119.205 120.400 0.008 0.000 2.402 1235 D HA 0.002 4.630 4.640 -0.020 0.000 0.216 1235 D C 0.019 176.328 176.300 0.014 0.000 1.128 1235 D CA -0.672 53.335 54.000 0.011 0.000 0.833 1235 D CB -1.440 39.367 40.800 0.012 0.000 0.971 1235 D HN 0.078 nan 8.370 nan 0.000 0.503 1236 N N -0.118 118.591 118.700 0.016 0.000 2.741 1236 N HA -0.200 4.528 4.740 -0.020 0.000 0.250 1236 N C -0.547 174.971 175.510 0.013 0.000 1.115 1236 N CA 0.639 53.698 53.050 0.015 0.000 0.724 1236 N CB -1.349 37.146 38.487 0.014 0.000 1.090 1236 N HN 0.446 nan 8.380 nan 0.000 0.558 1237 S N -0.511 115.201 115.700 0.019 0.000 2.645 1237 S HA 0.673 5.132 4.470 -0.020 0.000 0.266 1237 S C 0.715 175.331 174.600 0.027 0.000 1.258 1237 S CA -0.510 57.707 58.200 0.028 0.000 0.990 1237 S CB 1.672 64.903 63.200 0.051 0.000 0.967 1237 S HN 0.403 nan 8.310 nan 0.000 0.556 1238 A N 1.814 124.653 122.820 0.031 0.000 2.511 1238 A HA 0.498 4.806 4.320 -0.020 0.000 0.242 1238 A C -2.207 175.414 177.584 0.062 0.000 1.069 1238 A CA -1.149 50.903 52.037 0.024 0.000 0.763 1238 A CB -1.135 17.873 19.000 0.012 0.000 1.001 1238 A HN 0.676 nan 8.150 nan 0.000 0.498 1239 P HA 0.099 nan 4.420 nan 0.000 0.268 1239 P C -0.525 176.900 177.300 0.209 0.000 1.208 1239 P CA 0.184 63.318 63.100 0.056 0.000 0.777 1239 P CB 0.144 31.808 31.700 -0.059 0.000 0.875 1240 Y N 0.467 120.771 120.300 0.008 0.000 2.426 1240 Y HA 0.342 4.880 4.550 -0.020 0.000 0.344 1240 Y C 1.669 177.655 175.900 0.143 0.000 1.256 1240 Y CA -0.040 58.121 58.100 0.102 0.000 1.451 1240 Y CB -0.375 38.204 38.460 0.198 0.000 1.342 1240 Y HN 0.373 nan 8.280 nan 0.000 0.600 1241 G N 0.070 108.994 108.800 0.207 0.000 2.504 1241 G HA2 0.561 4.509 3.960 -0.020 0.000 0.288 1241 G HA3 0.561 4.509 3.960 -0.020 0.000 0.288 1241 G C -1.184 173.736 174.900 0.033 0.000 1.182 1241 G CA -0.387 44.779 45.100 0.110 0.000 0.894 1241 G HN 0.795 nan 8.290 nan 0.000 0.521 1242 A N 1.160 123.909 122.820 -0.118 0.000 2.317 1242 A HA 0.852 5.160 4.320 -0.020 0.000 0.327 1242 A C 0.119 177.602 177.584 -0.168 0.000 1.178 1242 A CA -0.737 51.045 52.037 -0.425 0.000 0.817 1242 A CB 1.069 19.795 19.000 -0.456 0.000 1.189 1242 A HN 0.664 nan 8.150 nan 0.000 0.489 1243 R N 0.779 121.204 120.500 -0.126 0.000 2.604 1243 R HA 0.451 4.779 4.340 -0.020 0.000 0.281 1243 R C -2.260 174.130 176.300 0.149 0.000 1.020 1243 R CA -0.582 55.533 56.100 0.025 0.000 0.899 1243 R CB 2.099 32.432 30.300 0.055 0.000 1.205 1243 R HN 0.728 nan 8.270 nan 0.000 0.450 1244 Y N 2.198 122.504 120.300 0.010 0.000 2.379 1244 Y HA 0.122 4.661 4.550 -0.018 0.000 0.342 1244 Y C 0.337 176.280 175.900 0.071 0.000 1.126 1244 Y CA -0.535 57.607 58.100 0.070 0.000 1.310 1244 Y CB 0.985 39.482 38.460 0.062 0.000 1.115 1244 Y HN 0.423 nan 8.280 nan 0.000 0.505 1245 V N 3.396 123.240 119.914 -0.116 0.000 2.407 1245 V HA -0.065 4.043 4.120 -0.020 0.000 0.248 1245 V C 1.817 177.789 176.094 -0.204 0.000 1.055 1245 V CA 2.451 64.679 62.300 -0.119 0.000 1.049 1245 V CB -0.841 30.919 31.823 -0.105 0.000 0.662 1245 V HN 1.220 nan 8.190 nan 0.000 0.455 1246 G N -0.481 108.013 108.800 -0.511 0.000 2.176 1246 G HA2 -0.220 3.728 3.960 -0.020 0.000 0.232 1246 G HA3 -0.220 3.728 3.960 -0.020 0.000 0.232 1246 G C 0.261 175.059 174.900 -0.170 0.000 0.986 1246 G CA 0.204 45.063 45.100 -0.401 0.000 0.643 1246 G HN 0.534 nan 8.290 nan 0.000 0.522 1247 S N 0.319 115.918 115.700 -0.168 0.000 2.498 1247 S HA 0.564 5.022 4.470 -0.020 0.000 0.317 1247 S C 1.110 175.608 174.600 -0.170 0.000 1.090 1247 S CA 0.066 58.206 58.200 -0.101 0.000 1.089 1247 S CB 1.542 64.700 63.200 -0.071 0.000 0.997 1247 S HN 0.374 nan 8.310 nan 0.000 0.470 1248 M N 3.899 123.419 119.600 -0.134 0.000 2.106 1248 M HA -0.149 4.319 4.480 -0.020 0.000 0.259 1248 M C 1.856 177.908 176.300 -0.414 0.000 1.068 1248 M CA 2.149 57.277 55.300 -0.287 0.000 1.100 1248 M CB -0.285 32.230 32.600 -0.141 0.000 1.351 1248 M HN 0.685 nan 8.290 nan 0.000 0.404 1249 V N -1.386 118.338 119.914 -0.316 0.000 2.407 1249 V HA -0.144 3.964 4.120 -0.020 0.000 0.248 1249 V C 2.379 178.224 176.094 -0.416 0.000 1.055 1249 V CA 1.715 63.736 62.300 -0.464 0.000 1.049 1249 V CB -2.208 29.412 31.823 -0.339 0.000 0.662 1249 V HN 0.513 nan 8.190 nan 0.000 0.455 1250 A N 0.339 123.002 122.820 -0.262 0.000 1.897 1250 A HA -0.157 4.151 4.320 -0.020 0.000 0.215 1250 A C 2.031 179.497 177.584 -0.198 0.000 1.181 1250 A CA 1.701 53.631 52.037 -0.178 0.000 0.620 1250 A CB -0.715 18.213 19.000 -0.120 0.000 0.821 1250 A HN 0.556 nan 8.150 nan 0.000 0.443 1251 D N -0.232 120.001 120.400 -0.280 0.000 2.144 1251 D HA -0.087 4.541 4.640 -0.020 0.000 0.200 1251 D C 2.073 178.164 176.300 -0.348 0.000 0.978 1251 D CA 1.364 55.207 54.000 -0.262 0.000 0.833 1251 D CB -0.179 40.467 40.800 -0.256 0.000 0.961 1251 D HN 0.214 nan 8.370 nan 0.000 0.470 1252 V N 0.586 120.176 119.914 -0.539 0.000 2.427 1252 V HA -0.223 3.885 4.120 -0.020 0.000 0.248 1252 V C 2.305 178.251 176.094 -0.246 0.000 1.051 1252 V CA 1.532 63.574 62.300 -0.430 0.000 1.048 1252 V CB -0.506 31.013 31.823 -0.507 0.000 0.666 1252 V HN 0.210 nan 8.190 nan 0.000 0.456 1253 H N 0.558 119.420 119.070 -0.347 0.000 2.353 1253 H HA -0.146 4.399 4.556 -0.017 0.000 0.300 1253 H C 2.448 177.673 175.328 -0.172 0.000 1.090 1253 H CA 2.171 58.124 56.048 -0.158 0.000 1.327 1253 H CB -0.089 29.612 29.762 -0.103 0.000 1.383 1253 H HN 0.237 nan 8.280 nan 0.000 0.508 1254 R N -0.490 119.858 120.500 -0.253 0.000 2.081 1254 R HA -0.127 4.201 4.340 -0.020 0.000 0.235 1254 R C 1.814 177.945 176.300 -0.282 0.000 1.131 1254 R CA 1.935 57.793 56.100 -0.402 0.000 0.960 1254 R CB -0.335 29.796 30.300 -0.281 0.000 0.856 1254 R HN 0.368 nan 8.270 nan 0.000 0.436 1255 T N 1.900 116.371 114.554 -0.139 0.000 2.720 1255 T HA -0.170 4.168 4.350 -0.020 0.000 0.268 1255 T C 1.676 176.345 174.700 -0.052 0.000 1.037 1255 T CA 1.312 63.395 62.100 -0.028 0.000 1.144 1255 T CB -0.243 68.642 68.868 0.028 0.000 0.864 1255 T HN 0.182 nan 8.240 nan 0.000 0.444 1256 L N 2.113 123.261 121.223 -0.124 0.000 2.017 1256 L HA -0.040 4.288 4.340 -0.020 0.000 0.208 1256 L C 2.485 179.278 176.870 -0.129 0.000 1.073 1256 L CA 1.678 56.452 54.840 -0.111 0.000 0.745 1256 L CB -0.635 41.354 42.059 -0.116 0.000 0.894 1256 L HN 0.287 nan 8.230 nan 0.000 0.432 1257 V N -4.433 115.328 119.914 -0.254 0.000 3.235 1257 V HA -0.047 4.062 4.120 -0.020 0.000 0.259 1257 V C 1.792 177.956 176.094 0.117 0.000 1.133 1257 V CA 0.974 63.183 62.300 -0.152 0.000 1.128 1257 V CB -0.938 30.704 31.823 -0.301 0.000 0.757 1257 V HN 0.531 nan 8.190 nan 0.000 0.469 1258 Y N 1.283 121.532 120.300 -0.085 0.000 2.430 1258 Y HA 0.564 5.102 4.550 -0.020 0.000 0.248 1258 Y C 1.594 177.470 175.900 -0.040 0.000 1.108 1258 Y CA -0.171 57.897 58.100 -0.054 0.000 1.264 1258 Y CB 0.966 39.400 38.460 -0.044 0.000 1.172 1258 Y HN 0.522 nan 8.280 nan 0.000 0.520 1259 G N 0.673 109.545 108.800 0.121 0.000 2.796 1259 G HA2 0.168 4.117 3.960 -0.020 0.000 0.571 1259 G HA3 0.168 4.117 3.960 -0.020 0.000 0.571 1259 G C 0.074 175.039 174.900 0.108 0.000 1.370 1259 G CA -0.549 44.602 45.100 0.085 0.000 0.856 1259 G HN 1.009 nan 8.290 nan 0.000 0.538 1260 G N -1.218 107.655 108.800 0.122 0.000 2.416 1260 G HA2 0.374 4.322 3.960 -0.020 0.000 0.203 1260 G HA3 0.374 4.322 3.960 -0.020 0.000 0.203 1260 G C -0.350 174.688 174.900 0.231 0.000 1.227 1260 G CA 0.227 45.443 45.100 0.193 0.000 1.041 1260 G HN 2.257 nan 8.290 nan 0.000 0.546 1261 I N -0.523 120.224 120.570 0.296 0.000 2.722 1261 I HA 0.757 4.915 4.170 -0.020 0.000 0.295 1261 I C -1.490 174.822 176.117 0.326 0.000 1.161 1261 I CA -1.244 60.224 61.300 0.280 0.000 1.032 1261 I CB 1.882 40.050 38.000 0.279 0.000 1.244 1261 I HN 0.807 nan 8.210 nan 0.000 0.421 1262 F N 7.965 127.995 119.950 0.134 0.000 2.507 1262 F HA 0.723 5.239 4.527 -0.018 0.000 0.325 1262 F C -1.439 174.436 175.800 0.126 0.000 1.116 1262 F CA -0.595 57.491 58.000 0.143 0.000 0.930 1262 F CB 1.683 40.748 39.000 0.108 0.000 1.146 1262 F HN 0.262 nan 8.300 nan 0.000 0.447 1263 M N 6.639 125.825 119.600 -0.689 0.000 2.327 1263 M HA 0.308 4.776 4.480 -0.020 0.000 0.298 1263 M C -1.929 173.999 176.300 -0.619 0.000 1.065 1263 M CA -0.683 54.320 55.300 -0.496 0.000 0.916 1263 M CB 2.392 34.821 32.600 -0.285 0.000 1.630 1263 M HN 0.622 nan 8.290 nan 0.000 0.442 1264 Y N 4.539 124.615 120.300 -0.373 0.000 2.592 1264 Y HA 0.414 4.952 4.550 -0.020 0.000 0.354 1264 Y C -2.604 173.238 175.900 -0.097 0.000 1.063 1264 Y CA -2.047 55.952 58.100 -0.169 0.000 1.205 1264 Y CB 0.848 39.292 38.460 -0.026 0.000 1.106 1264 Y HN 0.341 nan 8.280 nan 0.000 0.649 1265 P HA 0.363 nan 4.420 nan 0.000 0.282 1265 P C -0.325 177.042 177.300 0.113 0.000 1.287 1265 P CA -0.341 62.786 63.100 0.046 0.000 0.792 1265 P CB 1.306 32.980 31.700 -0.044 0.000 1.163 1266 A N 1.283 124.149 122.820 0.077 0.000 2.386 1266 A HA 0.383 4.692 4.320 -0.020 0.000 0.246 1266 A C 0.464 178.110 177.584 0.103 0.000 1.089 1266 A CA 0.267 52.348 52.037 0.074 0.000 0.790 1266 A CB -0.854 18.176 19.000 0.049 0.000 1.042 1266 A HN 0.854 nan 8.150 nan 0.000 0.497 1267 N N -1.382 117.368 118.700 0.082 0.000 3.039 1267 N HA 0.258 4.987 4.740 -0.020 0.000 0.257 1267 N C -0.224 175.319 175.510 0.056 0.000 1.497 1267 N CA -0.697 52.411 53.050 0.097 0.000 0.861 1267 N CB 0.663 39.205 38.487 0.091 0.000 1.479 1267 N HN 0.371 nan 8.380 nan 0.000 0.547 1268 K N -0.402 120.027 120.400 0.047 0.000 2.281 1268 K HA -0.031 4.277 4.320 -0.020 0.000 0.203 1268 K C 0.615 177.229 176.600 0.024 0.000 1.046 1268 K CA 1.180 57.486 56.287 0.032 0.000 0.938 1268 K CB -0.072 32.442 32.500 0.023 0.000 0.737 1268 K HN 0.471 nan 8.250 nan 0.000 0.458 1269 K N -0.334 120.078 120.400 0.021 0.000 2.352 1269 K HA 0.102 4.410 4.320 -0.020 0.000 0.194 1269 K C 0.219 176.829 176.600 0.016 0.000 1.038 1269 K CA 0.350 56.650 56.287 0.020 0.000 1.023 1269 K CB 0.958 33.475 32.500 0.028 0.000 0.840 1269 K HN -0.152 nan 8.250 nan 0.000 0.519 1270 S N 2.210 117.918 115.700 0.015 0.000 2.395 1270 S HA 0.238 4.696 4.470 -0.020 0.000 0.207 1270 S C -2.322 172.289 174.600 0.018 0.000 1.454 1270 S CA -0.976 57.231 58.200 0.012 0.000 1.211 1270 S CB 1.732 64.935 63.200 0.006 0.000 1.093 1270 S HN -0.079 nan 8.310 nan 0.000 0.472 1271 P HA 0.004 nan 4.420 nan 0.000 0.222 1271 P C 0.574 177.879 177.300 0.008 0.000 1.147 1271 P CA 0.961 64.070 63.100 0.015 0.000 0.790 1271 P CB 0.198 31.904 31.700 0.010 0.000 0.780 1272 K N -0.991 119.409 120.400 0.001 0.000 2.564 1272 K HA 0.351 4.659 4.320 -0.020 0.000 0.205 1272 K C 0.704 177.297 176.600 -0.012 0.000 1.053 1272 K CA 0.120 56.401 56.287 -0.010 0.000 1.072 1272 K CB 0.598 33.087 32.500 -0.019 0.000 0.822 1272 K HN 0.091 nan 8.250 nan 0.000 0.497 1273 G N 1.937 110.744 108.800 0.010 0.000 2.698 1273 G HA2 -0.339 3.609 3.960 -0.020 0.000 0.233 1273 G HA3 -0.339 3.609 3.960 -0.020 0.000 0.233 1273 G C 0.139 174.995 174.900 -0.073 0.000 1.352 1273 G CA 0.232 45.346 45.100 0.023 0.000 0.879 1273 G HN 0.271 nan 8.290 nan 0.000 0.567 1274 K N -1.066 119.180 120.400 -0.256 0.000 2.286 1274 K HA 0.321 4.629 4.320 -0.020 0.000 0.203 1274 K C 1.400 177.818 176.600 -0.302 0.000 1.078 1274 K CA -0.100 55.976 56.287 -0.352 0.000 0.957 1274 K CB -0.074 32.020 32.500 -0.677 0.000 1.018 1274 K HN 0.501 nan 8.250 nan 0.000 0.484 1275 L N 2.995 123.991 121.223 -0.378 0.000 2.483 1275 L HA 0.096 4.424 4.340 -0.020 0.000 0.276 1275 L C 0.113 176.892 176.870 -0.152 0.000 1.213 1275 L CA -0.044 54.674 54.840 -0.204 0.000 0.843 1275 L CB 0.234 42.220 42.059 -0.122 0.000 1.107 1275 L HN 0.151 nan 8.230 nan 0.000 0.487 1276 R N 1.214 121.611 120.500 -0.172 0.000 2.254 1276 R HA 0.126 4.454 4.340 -0.020 0.000 0.318 1276 R C 0.801 176.881 176.300 -0.368 0.000 1.031 1276 R CA -0.601 55.312 56.100 -0.311 0.000 0.905 1276 R CB 1.117 31.128 30.300 -0.482 0.000 1.050 1276 R HN 0.462 nan 8.270 nan 0.000 0.456 1277 L N 4.091 125.145 121.223 -0.281 0.000 1.989 1277 L HA -0.166 4.162 4.340 -0.020 0.000 0.211 1277 L C 1.283 178.029 176.870 -0.207 0.000 1.071 1277 L CA 1.931 56.659 54.840 -0.187 0.000 0.749 1277 L CB -0.376 41.609 42.059 -0.123 0.000 0.890 1277 L HN 0.664 nan 8.230 nan 0.000 0.431 1278 L N -1.147 119.891 121.223 -0.309 0.000 2.046 1278 L HA -0.192 4.136 4.340 -0.020 0.000 0.208 1278 L C 1.799 178.649 176.870 -0.032 0.000 1.077 1278 L CA 1.907 56.667 54.840 -0.134 0.000 0.747 1278 L CB -0.800 41.220 42.059 -0.065 0.000 0.896 1278 L HN 0.623 nan 8.230 nan 0.000 0.432 1279 Y N -4.594 115.726 120.300 0.034 0.000 2.588 1279 Y HA 0.471 5.009 4.550 -0.020 0.000 0.247 1279 Y C 1.383 177.310 175.900 0.046 0.000 1.157 1279 Y CA -0.599 57.530 58.100 0.048 0.000 1.215 1279 Y CB -0.495 37.978 38.460 0.022 0.000 1.245 1279 Y HN 0.086 nan 8.280 nan 0.000 0.534 1280 E N -0.391 119.797 120.200 -0.020 0.000 3.100 1280 E HA 0.085 4.423 4.350 -0.020 0.000 0.191 1280 E C 1.331 177.927 176.600 -0.007 0.000 1.097 1280 E CA 0.746 57.157 56.400 0.019 0.000 1.339 1280 E CB -0.234 29.470 29.700 0.006 0.000 1.330 1280 E HN 0.303 nan 8.360 nan 0.000 0.511 1281 C N 1.333 120.609 119.300 -0.040 0.000 2.489 1281 C HA 0.011 4.459 4.460 -0.020 0.000 0.279 1281 C C 2.427 177.429 174.990 0.020 0.000 1.266 1281 C CA 0.823 59.842 59.018 0.001 0.000 1.707 1281 C CB -1.158 26.574 27.740 -0.013 0.000 2.059 1281 C HN 0.449 nan 8.230 nan 0.000 0.481 1282 N N 1.099 119.808 118.700 0.014 0.000 2.084 1282 N HA -0.114 4.614 4.740 -0.020 0.000 0.190 1282 N C -1.047 174.494 175.510 0.052 0.000 1.030 1282 N CA 1.408 54.488 53.050 0.050 0.000 0.849 1282 N CB -0.748 37.786 38.487 0.078 0.000 1.012 1282 N HN 0.407 nan 8.380 nan 0.000 0.423 1283 P HA -0.147 nan 4.420 nan 0.000 0.215 1283 P C 1.141 178.474 177.300 0.055 0.000 1.153 1283 P CA 1.261 64.356 63.100 -0.008 0.000 0.853 1283 P CB 0.105 31.775 31.700 -0.051 0.000 0.788 1284 M N -1.322 118.305 119.600 0.046 0.000 2.200 1284 M HA -0.000 4.468 4.480 -0.020 0.000 0.265 1284 M C 2.103 178.445 176.300 0.069 0.000 1.066 1284 M CA 1.492 56.821 55.300 0.049 0.000 1.127 1284 M CB -1.967 30.624 32.600 -0.015 0.000 1.379 1284 M HN -0.116 nan 8.290 nan 0.000 0.420 1285 A N -0.864 122.002 122.820 0.078 0.000 1.933 1285 A HA -0.208 4.100 4.320 -0.020 0.000 0.218 1285 A C 2.164 179.807 177.584 0.099 0.000 1.175 1285 A CA 1.282 53.367 52.037 0.080 0.000 0.628 1285 A CB -1.021 18.025 19.000 0.077 0.000 0.814 1285 A HN 0.489 nan 8.150 nan 0.000 0.444 1286 Y N 0.388 120.683 120.300 -0.009 0.000 2.200 1286 Y HA -0.137 4.401 4.550 -0.021 0.000 0.290 1286 Y C 2.356 178.245 175.900 -0.017 0.000 1.137 1286 Y CA 1.790 59.878 58.100 -0.019 0.000 1.163 1286 Y CB -0.263 38.167 38.460 -0.049 0.000 0.988 1286 Y HN 0.061 nan 8.280 nan 0.000 0.518 1287 V N 0.271 120.237 119.914 0.088 0.000 2.287 1287 V HA -0.391 3.718 4.120 -0.020 0.000 0.248 1287 V C 2.448 178.517 176.094 -0.043 0.000 1.053 1287 V CA 2.124 64.427 62.300 0.005 0.000 1.027 1287 V CB -0.638 31.242 31.823 0.096 0.000 0.646 1287 V HN 0.450 nan 8.190 nan 0.000 0.447 1288 M N -0.725 118.872 119.600 -0.005 0.000 2.086 1288 M HA -0.154 4.314 4.480 -0.020 0.000 0.261 1288 M C 2.238 178.510 176.300 -0.048 0.000 1.067 1288 M CA 1.691 56.985 55.300 -0.010 0.000 1.116 1288 M CB -1.083 31.529 32.600 0.020 0.000 1.348 1288 M HN 0.448 nan 8.290 nan 0.000 0.407 1289 E N -0.205 119.951 120.200 -0.074 0.000 2.110 1289 E HA -0.176 4.163 4.350 -0.020 0.000 0.193 1289 E C 1.894 178.405 176.600 -0.149 0.000 0.988 1289 E CA 0.790 57.133 56.400 -0.095 0.000 0.804 1289 E CB 0.013 29.659 29.700 -0.090 0.000 0.745 1289 E HN 0.327 nan 8.360 nan 0.000 0.458 1290 K N 0.111 120.361 120.400 -0.249 0.000 2.288 1290 K HA -0.003 4.305 4.320 -0.020 0.000 0.201 1290 K C 1.570 178.096 176.600 -0.124 0.000 1.048 1290 K CA 0.596 56.742 56.287 -0.236 0.000 0.956 1290 K CB 0.121 32.402 32.500 -0.364 0.000 0.746 1290 K HN 0.028 nan 8.250 nan 0.000 0.461 1291 A N 0.079 122.844 122.820 -0.092 0.000 2.275 1291 A HA 0.328 4.636 4.320 -0.020 0.000 0.212 1291 A C 1.222 178.784 177.584 -0.038 0.000 1.201 1291 A CA 0.766 52.771 52.037 -0.054 0.000 0.843 1291 A CB -0.137 18.840 19.000 -0.039 0.000 0.873 1291 A HN 0.323 nan 8.150 nan 0.000 0.492 1292 G N -1.958 106.817 108.800 -0.041 0.000 2.141 1292 G HA2 -0.030 3.918 3.960 -0.020 0.000 0.242 1292 G HA3 -0.030 3.918 3.960 -0.020 0.000 0.242 1292 G C 0.684 175.579 174.900 -0.009 0.000 0.982 1292 G CA 0.326 45.413 45.100 -0.022 0.000 0.662 1292 G HN 1.307 nan 8.290 nan 0.000 0.527 1293 G N -1.124 107.671 108.800 -0.009 0.000 2.583 1293 G HA2 0.795 4.744 3.960 -0.020 0.000 0.280 1293 G HA3 0.795 4.744 3.960 -0.020 0.000 0.280 1293 G C -0.267 174.637 174.900 0.007 0.000 1.376 1293 G CA -0.935 44.170 45.100 0.008 0.000 1.043 1293 G HN 0.674 nan 8.290 nan 0.000 0.538 1294 L N -0.943 120.292 121.223 0.020 0.000 2.350 1294 L HA 0.750 5.078 4.340 -0.020 0.000 0.260 1294 L C -0.366 176.520 176.870 0.026 0.000 1.015 1294 L CA -1.140 53.711 54.840 0.017 0.000 0.821 1294 L CB 2.510 44.577 42.059 0.015 0.000 1.370 1294 L HN 0.668 nan 8.230 nan 0.000 0.416 1295 A N 0.794 123.627 122.820 0.021 0.000 2.497 1295 A HA 0.657 4.965 4.320 -0.020 0.000 0.280 1295 A C -0.821 176.768 177.584 0.008 0.000 1.065 1295 A CA -0.347 51.708 52.037 0.030 0.000 0.781 1295 A CB 1.787 20.815 19.000 0.045 0.000 1.289 1295 A HN 0.560 nan 8.150 nan 0.000 0.415 1296 T N 0.117 114.665 114.554 -0.010 0.000 2.906 1296 T HA 0.577 4.915 4.350 -0.020 0.000 0.295 1296 T C 1.268 175.924 174.700 -0.074 0.000 1.075 1296 T CA 0.489 62.560 62.100 -0.049 0.000 1.005 1296 T CB 1.489 70.313 68.868 -0.073 0.000 1.136 1296 T HN 1.186 nan 8.240 nan 0.000 0.498 1297 T N -0.441 114.047 114.554 -0.110 0.000 3.081 1297 T HA 0.377 4.715 4.350 -0.020 0.000 0.255 1297 T C 1.563 176.085 174.700 -0.296 0.000 1.113 1297 T CA 1.085 63.100 62.100 -0.143 0.000 1.082 1297 T CB -0.102 68.692 68.868 -0.122 0.000 0.939 1297 T HN 1.466 nan 8.240 nan 0.000 0.506 1298 G N 2.067 110.631 108.800 -0.394 0.000 2.284 1298 G HA2 -0.211 3.737 3.960 -0.020 0.000 0.201 1298 G HA3 -0.211 3.737 3.960 -0.020 0.000 0.201 1298 G C 0.842 175.355 174.900 -0.646 0.000 0.998 1298 G CA 0.410 44.992 45.100 -0.862 0.000 0.651 1298 G HN 0.727 nan 8.290 nan 0.000 0.489 1299 K N 0.810 120.997 120.400 -0.354 0.000 2.538 1299 K HA 0.276 4.584 4.320 -0.020 0.000 0.215 1299 K C 0.308 176.839 176.600 -0.115 0.000 1.345 1299 K CA 1.124 57.290 56.287 -0.201 0.000 0.985 1299 K CB 0.787 33.191 32.500 -0.159 0.000 1.116 1299 K HN 0.719 nan 8.250 nan 0.000 0.582 1300 E N 0.288 120.423 120.200 -0.108 0.000 2.407 1300 E HA 0.553 4.892 4.350 -0.020 0.000 0.279 1300 E C -1.491 175.078 176.600 -0.051 0.000 1.012 1300 E CA -1.039 55.324 56.400 -0.062 0.000 0.800 1300 E CB 1.405 31.077 29.700 -0.047 0.000 1.276 1300 E HN 0.107 nan 8.360 nan 0.000 0.452 1301 A N 1.628 124.432 122.820 -0.027 0.000 2.488 1301 A HA 0.254 4.562 4.320 -0.020 0.000 0.249 1301 A C 1.123 178.704 177.584 -0.004 0.000 1.083 1301 A CA -0.324 51.706 52.037 -0.012 0.000 0.768 1301 A CB 0.559 19.560 19.000 0.003 0.000 1.017 1301 A HN 0.511 nan 8.150 nan 0.000 0.496 1302 V N 3.320 123.235 119.914 0.002 0.000 2.332 1302 V HA -0.262 3.846 4.120 -0.020 0.000 0.248 1302 V C 2.294 178.405 176.094 0.029 0.000 1.055 1302 V CA 2.280 64.586 62.300 0.010 0.000 1.038 1302 V CB -0.800 31.035 31.823 0.021 0.000 0.651 1302 V HN 0.836 nan 8.190 nan 0.000 0.450 1303 L N -0.321 120.930 121.223 0.047 0.000 2.456 1303 L HA -0.093 4.235 4.340 -0.020 0.000 0.224 1303 L C 1.664 178.572 176.870 0.063 0.000 1.148 1303 L CA 0.898 55.783 54.840 0.075 0.000 0.825 1303 L CB -0.423 41.696 42.059 0.101 0.000 0.937 1303 L HN 0.356 nan 8.230 nan 0.000 0.450 1304 D N -0.335 120.088 120.400 0.037 0.000 2.349 1304 D HA 0.161 4.789 4.640 -0.020 0.000 0.214 1304 D C 0.910 177.218 176.300 0.014 0.000 1.063 1304 D CA 0.175 54.191 54.000 0.027 0.000 0.847 1304 D CB 0.471 41.282 40.800 0.018 0.000 0.933 1304 D HN 0.153 nan 8.370 nan 0.000 0.513 1305 I N 1.936 122.511 120.570 0.008 0.000 2.598 1305 I HA -0.037 4.121 4.170 -0.020 0.000 0.284 1305 I C 0.339 176.451 176.117 -0.009 0.000 1.140 1305 I CA -0.010 61.286 61.300 -0.006 0.000 1.420 1305 I CB 0.960 38.952 38.000 -0.014 0.000 1.387 1305 I HN -0.338 nan 8.210 nan 0.000 0.553 1306 V N 9.100 129.004 119.914 -0.016 0.000 2.353 1306 V HA 0.173 4.281 4.120 -0.020 0.000 0.264 1306 V C -1.737 174.335 176.094 -0.037 0.000 1.049 1306 V CA -1.368 60.916 62.300 -0.027 0.000 0.896 1306 V CB 0.513 32.321 31.823 -0.024 0.000 1.025 1306 V HN 0.637 nan 8.190 nan 0.000 0.475 1307 P HA 0.230 nan 4.420 nan 0.000 0.274 1307 P C 0.575 177.844 177.300 -0.052 0.000 1.231 1307 P CA -0.131 62.936 63.100 -0.055 0.000 0.790 1307 P CB 1.007 32.663 31.700 -0.073 0.000 0.951 1308 T N -3.658 110.871 114.554 -0.042 0.000 3.040 1308 T HA 0.184 4.522 4.350 -0.020 0.000 0.266 1308 T C -0.074 174.606 174.700 -0.032 0.000 1.005 1308 T CA -0.038 62.042 62.100 -0.035 0.000 0.906 1308 T CB -0.087 68.767 68.868 -0.023 0.000 1.082 1308 T HN 0.377 nan 8.240 nan 0.000 0.531 1309 D N 1.021 121.398 120.400 -0.039 0.000 2.890 1309 D HA 0.262 4.890 4.640 -0.020 0.000 0.233 1309 D C 1.080 177.340 176.300 -0.066 0.000 1.306 1309 D CA -0.949 53.033 54.000 -0.029 0.000 0.929 1309 D CB 1.496 42.297 40.800 0.002 0.000 1.512 1309 D HN 0.259 nan 8.370 nan 0.000 0.568 1310 I N 0.823 121.322 120.570 -0.118 0.000 2.756 1310 I HA -0.040 4.119 4.170 -0.020 0.000 0.262 1310 I C 0.449 176.383 176.117 -0.304 0.000 1.225 1310 I CA 0.887 62.053 61.300 -0.224 0.000 1.472 1310 I CB -0.090 37.728 38.000 -0.302 0.000 1.094 1310 I HN 0.267 nan 8.210 nan 0.000 0.454 1311 H N 1.596 120.692 119.070 0.042 0.000 2.487 1311 H HA 0.288 4.832 4.556 -0.020 0.000 0.290 1311 H C 0.211 175.516 175.328 -0.038 0.000 1.081 1311 H CA -0.336 55.740 56.048 0.048 0.000 1.116 1311 H CB -0.050 29.764 29.762 0.087 0.000 1.560 1311 H HN 0.536 nan 8.280 nan 0.000 0.548 1312 Q N 1.745 121.547 119.800 0.004 0.000 2.333 1312 Q HA 0.015 4.344 4.340 -0.020 0.000 0.299 1312 Q C -0.146 175.811 176.000 -0.072 0.000 1.067 1312 Q CA 0.192 55.977 55.803 -0.030 0.000 0.943 1312 Q CB 0.751 29.458 28.738 -0.052 0.000 1.233 1312 Q HN 0.340 nan 8.270 nan 0.000 0.401 1313 R N 1.346 121.812 120.500 -0.057 0.000 2.532 1313 R HA 0.734 5.062 4.340 -0.020 0.000 0.272 1313 R C -1.059 175.201 176.300 -0.067 0.000 1.032 1313 R CA -0.247 55.808 56.100 -0.075 0.000 1.089 1313 R CB 1.539 31.803 30.300 -0.060 0.000 1.098 1313 R HN 0.666 nan 8.270 nan 0.000 0.526 1314 A N 2.555 125.334 122.820 -0.070 0.000 2.520 1314 A HA 0.560 4.868 4.320 -0.020 0.000 0.298 1314 A C -2.705 174.862 177.584 -0.029 0.000 1.051 1314 A CA -1.834 50.175 52.037 -0.046 0.000 0.690 1314 A CB 1.715 20.689 19.000 -0.044 0.000 1.281 1314 A HN 0.389 nan 8.150 nan 0.000 0.402 1315 P HA 0.491 nan 4.420 nan 0.000 0.271 1315 P C -0.719 176.589 177.300 0.013 0.000 1.218 1315 P CA 0.122 63.229 63.100 0.012 0.000 0.780 1315 P CB 0.668 32.359 31.700 -0.015 0.000 0.901 1316 I N 2.396 123.000 120.570 0.056 0.000 2.692 1316 I HA 0.472 4.630 4.170 -0.020 0.000 0.293 1316 I C -1.559 174.592 176.117 0.056 0.000 1.200 1316 I CA -0.910 60.429 61.300 0.065 0.000 1.036 1316 I CB 1.362 39.434 38.000 0.120 0.000 1.258 1316 I HN 0.151 nan 8.210 nan 0.000 0.421 1317 I N 8.336 128.924 120.570 0.030 0.000 2.468 1317 I HA 0.428 4.586 4.170 -0.020 0.000 0.285 1317 I C -1.170 174.983 176.117 0.061 0.000 1.039 1317 I CA -0.482 60.824 61.300 0.011 0.000 1.074 1317 I CB 1.675 39.640 38.000 -0.057 0.000 1.228 1317 I HN 0.393 nan 8.210 nan 0.000 0.436 1318 L N 4.377 125.681 121.223 0.135 0.000 2.341 1318 L HA 1.172 5.500 4.340 -0.020 0.000 0.254 1318 L C 0.033 176.988 176.870 0.141 0.000 1.040 1318 L CA -0.334 54.583 54.840 0.128 0.000 0.837 1318 L CB 1.602 43.751 42.059 0.149 0.000 1.425 1318 L HN 0.712 nan 8.230 nan 0.000 0.414 1319 G N -0.649 108.211 108.800 0.100 0.000 2.236 1319 G HA2 0.093 4.041 3.960 -0.020 0.000 0.231 1319 G HA3 0.093 4.041 3.960 -0.020 0.000 0.231 1319 G C -1.017 173.930 174.900 0.078 0.000 1.334 1319 G CA -0.396 44.764 45.100 0.100 0.000 1.137 1319 G HN 0.848 nan 8.290 nan 0.000 0.482 1320 S N 3.128 118.884 115.700 0.094 0.000 2.546 1320 S HA 0.325 4.783 4.470 -0.020 0.000 0.290 1320 S C -0.749 173.896 174.600 0.075 0.000 1.290 1320 S CA 0.230 58.478 58.200 0.081 0.000 1.069 1320 S CB 1.542 64.801 63.200 0.098 0.000 0.846 1320 S HN 0.530 nan 8.310 nan 0.000 0.495 1321 P HA -0.114 nan 4.420 nan 0.000 0.217 1321 P C 0.826 178.159 177.300 0.055 0.000 1.150 1321 P CA 1.109 64.236 63.100 0.045 0.000 0.832 1321 P CB 0.188 31.907 31.700 0.031 0.000 0.787 1322 E N -0.369 119.872 120.200 0.069 0.000 2.208 1322 E HA -0.127 4.211 4.350 -0.020 0.000 0.193 1322 E C 1.606 178.272 176.600 0.110 0.000 0.988 1322 E CA 0.722 57.170 56.400 0.081 0.000 0.828 1322 E CB -0.260 29.491 29.700 0.085 0.000 0.763 1322 E HN 0.314 nan 8.360 nan 0.000 0.478 1323 D N 0.294 120.778 120.400 0.140 0.000 2.120 1323 D HA -0.087 4.542 4.640 -0.020 0.000 0.202 1323 D C 2.137 178.487 176.300 0.083 0.000 0.972 1323 D CA 0.735 54.850 54.000 0.192 0.000 0.837 1323 D CB -0.010 40.958 40.800 0.280 0.000 0.989 1323 D HN 0.013 nan 8.370 nan 0.000 0.469 1324 V N 1.354 121.296 119.914 0.046 0.000 2.343 1324 V HA -0.206 3.902 4.120 -0.020 0.000 0.247 1324 V C 2.508 178.590 176.094 -0.020 0.000 1.051 1324 V CA 1.760 64.049 62.300 -0.019 0.000 1.036 1324 V CB -0.747 31.080 31.823 0.007 0.000 0.654 1324 V HN 0.204 nan 8.190 nan 0.000 0.451 1325 T N -0.583 113.981 114.554 0.018 0.000 2.788 1325 T HA -0.232 4.106 4.350 -0.020 0.000 0.268 1325 T C 1.860 176.578 174.700 0.030 0.000 1.044 1325 T CA 1.728 63.842 62.100 0.023 0.000 1.139 1325 T CB -0.189 68.699 68.868 0.033 0.000 0.867 1325 T HN 0.665 nan 8.240 nan 0.000 0.454 1326 E N 0.438 120.669 120.200 0.051 0.000 2.085 1326 E HA -0.157 4.181 4.350 -0.020 0.000 0.194 1326 E C 2.134 178.760 176.600 0.043 0.000 0.994 1326 E CA 0.919 57.368 56.400 0.082 0.000 0.801 1326 E CB -0.175 29.624 29.700 0.166 0.000 0.743 1326 E HN 0.272 nan 8.360 nan 0.000 0.453 1327 L N 0.899 122.054 121.223 -0.113 0.000 2.093 1327 L HA -0.095 4.233 4.340 -0.020 0.000 0.208 1327 L C 2.108 178.995 176.870 0.028 0.000 1.085 1327 L CA 1.401 56.109 54.840 -0.220 0.000 0.755 1327 L CB -0.464 41.238 42.059 -0.595 0.000 0.904 1327 L HN 0.246 nan 8.230 nan 0.000 0.435 1328 L N -0.645 120.604 121.223 0.043 0.000 2.079 1328 L HA -0.242 4.086 4.340 -0.020 0.000 0.210 1328 L C 2.483 179.420 176.870 0.112 0.000 1.081 1328 L CA 1.506 56.403 54.840 0.096 0.000 0.752 1328 L CB -0.474 41.602 42.059 0.028 0.000 0.896 1328 L HN 0.352 nan 8.230 nan 0.000 0.433 1329 E N 0.106 120.349 120.200 0.073 0.000 2.110 1329 E HA -0.225 4.113 4.350 -0.020 0.000 0.193 1329 E C 2.227 178.877 176.600 0.083 0.000 0.988 1329 E CA 1.251 57.692 56.400 0.067 0.000 0.804 1329 E CB -0.086 29.644 29.700 0.050 0.000 0.745 1329 E HN 0.499 nan 8.360 nan 0.000 0.458 1330 I N -0.063 120.557 120.570 0.082 0.000 2.252 1330 I HA -0.255 3.904 4.170 -0.020 0.000 0.245 1330 I C 1.925 178.117 176.117 0.126 0.000 1.102 1330 I CA 0.999 62.354 61.300 0.092 0.000 1.385 1330 I CB -0.256 37.762 38.000 0.030 0.000 1.064 1330 I HN 0.102 nan 8.210 nan 0.000 0.414 1331 Y N 1.415 121.745 120.300 0.050 0.000 2.165 1331 Y HA -0.303 4.235 4.550 -0.020 0.000 0.286 1331 Y C 2.769 178.710 175.900 0.068 0.000 1.155 1331 Y CA 1.674 59.800 58.100 0.044 0.000 1.164 1331 Y CB -0.510 37.940 38.460 -0.016 0.000 0.978 1331 Y HN 0.217 nan 8.280 nan 0.000 0.513 1332 Q N -0.124 119.794 119.800 0.197 0.000 2.084 1332 Q HA -0.237 4.091 4.340 -0.020 0.000 0.202 1332 Q C 2.257 178.305 176.000 0.079 0.000 0.978 1332 Q CA 1.722 57.593 55.803 0.115 0.000 0.844 1332 Q CB -0.211 28.571 28.738 0.073 0.000 0.898 1332 Q HN 0.409 nan 8.270 nan 0.000 0.426 1333 K N 0.084 120.519 120.400 0.058 0.000 2.097 1333 K HA -0.175 4.133 4.320 -0.020 0.000 0.206 1333 K C 1.703 178.245 176.600 -0.098 0.000 1.049 1333 K CA 1.174 57.442 56.287 -0.030 0.000 0.933 1333 K CB 0.032 32.494 32.500 -0.063 0.000 0.717 1333 K HN 0.341 nan 8.250 nan 0.000 0.442 1334 H N -0.176 118.891 119.070 -0.003 0.000 2.529 1334 H HA 0.107 4.651 4.556 -0.020 0.000 0.277 1334 H C 0.862 176.201 175.328 0.018 0.000 0.999 1334 H CA 0.540 56.583 56.048 -0.009 0.000 1.256 1334 H CB 0.213 29.948 29.762 -0.045 0.000 1.402 1334 H HN 0.291 nan 8.280 nan 0.000 0.566 1335 A N 0.000 122.898 122.820 0.131 0.000 2.254 1335 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 1335 A CA 0.000 52.096 52.037 0.099 0.000 0.836 1335 A CB 0.000 19.057 19.000 0.095 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486