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 1nv7_1_A DATA FIRST_RESID 1009 DATA SEQUENCE NIVTLTRFVM EEGRKARGTG EMTQLLNSLC TAVKAISTAV RKAGIAHLYG DATA SEQUENCE IAGSTNVTGD QVKKLDVLSN DLVINVLKSS FATCVLVSEE DKNAIIVEPE DATA SEQUENCE KRGKYVVCFD PLDGSSNIDC LVSIGTIFGI YRKNSTDEPS EKDALQPGRN DATA SEQUENCE LVAAGYALYG SATMLVLAMV NGVNCFMLDP AIGEFILVDR DVKIKKKGSI DATA SEQUENCE YSINEGYAKE FDPAITEYIQ RKKFPPDNSA PYGARYVGSM VADVHRTLVY DATA SEQUENCE GGIFMYPANK KSPKGKLRLL YECNPMAYVM EKAGGLATTG KEAVLDIVPT DATA SEQUENCE DIHQRAPIIL GSPEDVTELL EIYQKHA 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 1009 N HA 0.000 nan 4.740 nan 0.000 0.220 1009 N C 0.000 175.533 175.510 0.039 0.000 1.280 1009 N CA 0.000 53.069 53.050 0.031 0.000 0.885 1009 N CB 0.000 38.505 38.487 0.029 0.000 1.341 1010 I N 1.472 122.066 120.570 0.041 0.000 2.634 1010 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 1010 I C -0.570 175.592 176.117 0.075 0.000 1.124 1010 I CA -0.101 61.229 61.300 0.050 0.000 1.417 1010 I CB 1.135 39.162 38.000 0.045 0.000 1.396 1010 I HN 0.004 nan 8.210 nan 0.000 0.571 1011 V N 7.115 127.087 119.914 0.096 0.000 2.326 1011 V HA 0.226 4.346 4.120 -0.000 0.000 0.281 1011 V C 0.440 176.657 176.094 0.205 0.000 1.015 1011 V CA -0.714 61.678 62.300 0.154 0.000 0.823 1011 V CB 1.479 33.408 31.823 0.177 0.000 1.009 1011 V HN 0.889 nan 8.190 nan 0.000 0.436 1012 T N 2.226 116.895 114.554 0.192 0.000 2.882 1012 T HA 0.352 4.702 4.350 -0.000 0.000 0.287 1012 T C 1.258 176.103 174.700 0.243 0.000 1.014 1012 T CA -0.466 61.759 62.100 0.207 0.000 1.049 1012 T CB 1.244 70.192 68.868 0.133 0.000 1.001 1012 T HN 0.375 nan 8.240 nan 0.000 0.525 1013 L N 0.943 122.248 121.223 0.136 0.000 2.083 1013 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 1013 L C 2.643 179.492 176.870 -0.036 0.000 1.083 1013 L CA 1.797 56.507 54.840 -0.218 0.000 0.752 1013 L CB -1.028 40.660 42.059 -0.618 0.000 0.899 1013 L HN 0.926 nan 8.230 nan 0.000 0.433 1014 T N -0.602 113.963 114.554 0.017 0.000 2.684 1014 T HA -0.285 4.065 4.350 -0.000 0.000 0.267 1014 T C 1.865 176.594 174.700 0.049 0.000 1.036 1014 T CA 1.971 64.082 62.100 0.019 0.000 1.148 1014 T CB -0.239 68.647 68.868 0.029 0.000 0.863 1014 T HN 0.394 nan 8.240 nan 0.000 0.436 1015 R N -0.068 120.487 120.500 0.092 0.000 2.119 1015 R HA 0.029 4.369 4.340 -0.000 0.000 0.222 1015 R C 2.186 178.559 176.300 0.122 0.000 1.088 1015 R CA 0.864 57.018 56.100 0.091 0.000 0.984 1015 R CB -0.546 29.813 30.300 0.098 0.000 0.884 1015 R HN 0.404 nan 8.270 nan 0.000 0.447 1016 F N 0.678 120.660 119.950 0.054 0.000 2.069 1016 F HA -0.216 4.311 4.527 -0.000 0.000 0.298 1016 F C 1.874 177.688 175.800 0.023 0.000 1.113 1016 F CA 1.843 59.893 58.000 0.083 0.000 1.214 1016 F CB -0.439 38.685 39.000 0.206 0.000 0.978 1016 F HN -0.159 nan 8.300 nan 0.000 0.474 1017 V N 0.458 120.434 119.914 0.103 0.000 2.343 1017 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 1017 V C 2.367 178.403 176.094 -0.098 0.000 1.051 1017 V CA 2.149 64.432 62.300 -0.027 0.000 1.036 1017 V CB -0.581 31.239 31.823 -0.004 0.000 0.654 1017 V HN 0.520 nan 8.190 nan 0.000 0.451 1018 M N -0.227 119.339 119.600 -0.057 0.000 2.108 1018 M HA -0.151 4.329 4.480 -0.000 0.000 0.261 1018 M C 1.935 178.185 176.300 -0.083 0.000 1.066 1018 M CA 1.791 57.057 55.300 -0.057 0.000 1.107 1018 M CB -0.566 32.017 32.600 -0.028 0.000 1.356 1018 M HN 0.181 nan 8.290 nan 0.000 0.406 1019 E N 0.030 120.163 120.200 -0.111 0.000 2.107 1019 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 1019 E C 2.004 178.496 176.600 -0.180 0.000 0.982 1019 E CA 0.948 57.271 56.400 -0.128 0.000 0.809 1019 E CB -0.272 29.353 29.700 -0.124 0.000 0.756 1019 E HN 0.556 nan 8.360 nan 0.000 0.459 1020 E N -0.348 119.679 120.200 -0.290 0.000 2.208 1020 E HA -0.067 4.283 4.350 -0.000 0.000 0.193 1020 E C 2.000 178.516 176.600 -0.140 0.000 0.988 1020 E CA 0.881 57.121 56.400 -0.266 0.000 0.828 1020 E CB -0.239 29.225 29.700 -0.393 0.000 0.763 1020 E HN 0.296 nan 8.360 nan 0.000 0.478 1021 G N 1.073 109.803 108.800 -0.116 0.000 2.403 1021 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.216 1021 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.216 1021 G C 1.723 176.593 174.900 -0.050 0.000 1.154 1021 G CA 0.057 45.116 45.100 -0.068 0.000 0.784 1021 G HN 0.118 nan 8.290 nan 0.000 0.538 1022 R N 0.173 120.639 120.500 -0.057 0.000 2.073 1022 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 1022 R C 2.516 178.793 176.300 -0.038 0.000 1.120 1022 R CA 1.035 57.110 56.100 -0.041 0.000 0.967 1022 R CB -0.207 30.069 30.300 -0.040 0.000 0.862 1022 R HN 0.240 nan 8.270 nan 0.000 0.436 1023 K N 0.059 120.428 120.400 -0.052 0.000 2.211 1023 K HA -0.040 4.279 4.320 -0.000 0.000 0.203 1023 K C 1.566 178.148 176.600 -0.029 0.000 1.050 1023 K CA 1.247 57.508 56.287 -0.043 0.000 0.945 1023 K CB 0.143 32.607 32.500 -0.059 0.000 0.732 1023 K HN 0.105 nan 8.250 nan 0.000 0.451 1024 A N 0.340 123.142 122.820 -0.029 0.000 2.308 1024 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 1024 A C -0.053 177.530 177.584 -0.002 0.000 1.216 1024 A CA -0.181 51.849 52.037 -0.012 0.000 0.864 1024 A CB -0.065 18.929 19.000 -0.010 0.000 0.902 1024 A HN 0.275 nan 8.150 nan 0.000 0.499 1025 R N -0.858 119.638 120.500 -0.008 0.000 3.416 1025 R HA -0.171 4.169 4.340 -0.000 0.000 0.263 1025 R C 0.696 176.999 176.300 0.006 0.000 1.053 1025 R CA 0.294 56.393 56.100 -0.002 0.000 0.705 1025 R CB -2.296 28.005 30.300 0.002 0.000 1.124 1025 R HN 0.630 nan 8.270 nan 0.000 0.444 1026 G N -0.150 108.653 108.800 0.005 0.000 2.569 1026 G HA2 0.193 4.153 3.960 -0.000 0.000 0.249 1026 G HA3 0.193 4.153 3.960 -0.000 0.000 0.249 1026 G C 1.165 176.075 174.900 0.017 0.000 1.216 1026 G CA 0.128 45.239 45.100 0.020 0.000 0.845 1026 G HN 0.291 nan 8.290 nan 0.000 0.568 1027 T N -2.489 112.083 114.554 0.031 0.000 3.160 1027 T HA 0.317 4.667 4.350 -0.000 0.000 0.257 1027 T C 1.747 176.458 174.700 0.018 0.000 1.147 1027 T CA 0.968 63.083 62.100 0.024 0.000 1.064 1027 T CB 0.058 68.945 68.868 0.032 0.000 0.949 1027 T HN 2.058 nan 8.240 nan 0.000 0.526 1028 G N 0.980 109.790 108.800 0.017 0.000 2.195 1028 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.224 1028 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.224 1028 G C 0.609 175.517 174.900 0.014 0.000 0.990 1028 G CA 0.461 45.564 45.100 0.004 0.000 0.639 1028 G HN 0.563 nan 8.290 nan 0.000 0.514 1029 E N -0.258 119.974 120.200 0.053 0.000 2.076 1029 E HA 0.082 4.432 4.350 -0.000 0.000 0.190 1029 E C 2.415 179.031 176.600 0.026 0.000 0.979 1029 E CA 1.250 57.701 56.400 0.086 0.000 0.807 1029 E CB -0.132 29.675 29.700 0.177 0.000 0.761 1029 E HN 0.609 nan 8.360 nan 0.000 0.454 1030 M N 0.168 119.756 119.600 -0.020 0.000 2.229 1030 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 1030 M C 1.926 178.121 176.300 -0.174 0.000 1.063 1030 M CA 1.433 56.581 55.300 -0.252 0.000 1.114 1030 M CB 0.056 32.498 32.600 -0.263 0.000 1.387 1030 M HN -0.015 nan 8.290 nan 0.000 0.420 1031 T N 0.241 114.739 114.554 -0.094 0.000 2.708 1031 T HA -0.216 4.134 4.350 -0.000 0.000 0.266 1031 T C 1.659 176.308 174.700 -0.085 0.000 1.037 1031 T CA 1.855 63.905 62.100 -0.084 0.000 1.146 1031 T CB -0.234 68.601 68.868 -0.056 0.000 0.865 1031 T HN 0.448 nan 8.240 nan 0.000 0.435 1032 Q N 0.513 120.277 119.800 -0.061 0.000 2.124 1032 Q HA -0.031 4.308 4.340 -0.000 0.000 0.202 1032 Q C 2.090 178.046 176.000 -0.074 0.000 0.977 1032 Q CA 1.050 56.825 55.803 -0.047 0.000 0.850 1032 Q CB -0.603 28.130 28.738 -0.008 0.000 0.901 1032 Q HN 0.437 nan 8.270 nan 0.000 0.429 1033 L N -0.573 120.586 121.223 -0.106 0.000 2.083 1033 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 1033 L C 1.675 178.426 176.870 -0.197 0.000 1.083 1033 L CA 1.680 56.431 54.840 -0.148 0.000 0.752 1033 L CB -0.348 41.582 42.059 -0.215 0.000 0.899 1033 L HN 0.333 nan 8.230 nan 0.000 0.433 1034 L N -0.903 120.199 121.223 -0.201 0.000 2.240 1034 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 1034 L C 2.140 178.882 176.870 -0.214 0.000 1.106 1034 L CA 0.916 55.616 54.840 -0.234 0.000 0.793 1034 L CB -0.567 41.377 42.059 -0.192 0.000 0.927 1034 L HN 0.397 nan 8.230 nan 0.000 0.446 1035 N N -0.556 118.054 118.700 -0.150 0.000 2.106 1035 N HA -0.153 4.587 4.740 -0.000 0.000 0.188 1035 N C 1.899 177.343 175.510 -0.110 0.000 1.029 1035 N CA 1.399 54.382 53.050 -0.112 0.000 0.848 1035 N CB 0.062 38.506 38.487 -0.071 0.000 1.007 1035 N HN 0.172 nan 8.380 nan 0.000 0.423 1036 S N 1.018 116.650 115.700 -0.113 0.000 2.382 1036 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 1036 S C 1.848 176.353 174.600 -0.159 0.000 1.027 1036 S CA 0.686 58.821 58.200 -0.109 0.000 0.991 1036 S CB -0.252 62.891 63.200 -0.094 0.000 0.823 1036 S HN 0.210 nan 8.310 nan 0.000 0.469 1037 L N 1.564 122.643 121.223 -0.239 0.000 2.027 1037 L HA -0.032 4.308 4.340 -0.000 0.000 0.206 1037 L C 2.582 179.284 176.870 -0.280 0.000 1.074 1037 L CA 1.461 56.098 54.840 -0.337 0.000 0.745 1037 L CB -1.033 40.700 42.059 -0.542 0.000 0.898 1037 L HN 0.522 nan 8.230 nan 0.000 0.433 1038 C N -1.024 118.117 119.300 -0.266 0.000 2.398 1038 C HA -0.219 4.241 4.460 -0.000 0.000 0.276 1038 C C 2.701 177.710 174.990 0.030 0.000 1.222 1038 C CA 1.821 60.724 59.018 -0.191 0.000 1.746 1038 C CB -1.152 26.468 27.740 -0.200 0.000 2.039 1038 C HN 0.647 nan 8.230 nan 0.000 0.470 1039 T N 0.927 115.476 114.554 -0.009 0.000 2.746 1039 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 1039 T C 2.149 176.853 174.700 0.006 0.000 1.039 1039 T CA 1.929 64.037 62.100 0.014 0.000 1.142 1039 T CB -0.570 68.287 68.868 -0.018 0.000 0.866 1039 T HN 0.757 nan 8.240 nan 0.000 0.444 1040 A N 0.728 123.522 122.820 -0.044 0.000 1.969 1040 A HA 0.017 4.337 4.320 -0.000 0.000 0.218 1040 A C 2.536 180.127 177.584 0.012 0.000 1.169 1040 A CA 0.965 52.974 52.037 -0.047 0.000 0.635 1040 A CB -0.811 18.120 19.000 -0.115 0.000 0.810 1040 A HN 0.358 nan 8.150 nan 0.000 0.445 1041 V N 0.142 120.090 119.914 0.057 0.000 2.515 1041 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 1041 V C 2.414 178.661 176.094 0.256 0.000 1.058 1041 V CA 2.247 64.669 62.300 0.204 0.000 1.064 1041 V CB -0.575 31.370 31.823 0.204 0.000 0.675 1041 V HN 0.534 nan 8.190 nan 0.000 0.461 1042 K N 0.131 120.656 120.400 0.209 0.000 2.062 1042 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 1042 K C 2.315 178.930 176.600 0.026 0.000 1.051 1042 K CA 1.322 57.673 56.287 0.107 0.000 0.941 1042 K CB -0.350 32.183 32.500 0.055 0.000 0.719 1042 K HN 0.457 nan 8.250 nan 0.000 0.440 1043 A N 1.472 124.300 122.820 0.013 0.000 1.933 1043 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 1043 A C 2.004 179.555 177.584 -0.055 0.000 1.175 1043 A CA 1.162 53.185 52.037 -0.023 0.000 0.628 1043 A CB -0.353 18.633 19.000 -0.023 0.000 0.814 1043 A HN 0.091 nan 8.150 nan 0.000 0.444 1044 I N -0.520 120.013 120.570 -0.062 0.000 2.286 1044 I HA -0.128 4.042 4.170 -0.000 0.000 0.245 1044 I C 2.710 178.618 176.117 -0.348 0.000 1.104 1044 I CA 1.674 62.876 61.300 -0.164 0.000 1.397 1044 I CB -1.396 36.535 38.000 -0.115 0.000 1.072 1044 I HN 0.371 nan 8.210 nan 0.000 0.417 1045 S N 0.339 115.850 115.700 -0.316 0.000 2.365 1045 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 1045 S C 2.120 176.616 174.600 -0.174 0.000 1.039 1045 S CA 2.467 60.487 58.200 -0.301 0.000 1.033 1045 S CB -0.238 62.987 63.200 0.041 0.000 0.887 1045 S HN 0.474 nan 8.310 nan 0.000 0.447 1046 T N 1.718 116.211 114.554 -0.103 0.000 2.746 1046 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 1046 T C 2.000 176.656 174.700 -0.074 0.000 1.039 1046 T CA 1.361 63.419 62.100 -0.070 0.000 1.142 1046 T CB -0.604 68.236 68.868 -0.048 0.000 0.866 1046 T HN 0.524 nan 8.240 nan 0.000 0.444 1047 A N 0.646 123.410 122.820 -0.093 0.000 1.930 1047 A HA 0.010 4.329 4.320 -0.000 0.000 0.217 1047 A C 2.535 180.065 177.584 -0.090 0.000 1.175 1047 A CA 1.006 52.998 52.037 -0.076 0.000 0.627 1047 A CB -0.804 18.152 19.000 -0.073 0.000 0.815 1047 A HN 0.360 nan 8.150 nan 0.000 0.443 1048 V N -0.254 119.562 119.914 -0.163 0.000 2.427 1048 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 1048 V C 2.430 178.477 176.094 -0.079 0.000 1.051 1048 V CA 2.013 64.220 62.300 -0.156 0.000 1.048 1048 V CB -0.708 30.926 31.823 -0.315 0.000 0.666 1048 V HN 0.429 nan 8.190 nan 0.000 0.456 1049 R N 0.196 120.654 120.500 -0.071 0.000 2.323 1049 R HA 0.081 4.421 4.340 -0.000 0.000 0.198 1049 R C 0.754 177.043 176.300 -0.018 0.000 0.988 1049 R CA 0.061 56.142 56.100 -0.030 0.000 1.041 1049 R CB -0.306 29.979 30.300 -0.024 0.000 0.926 1049 R HN 0.274 nan 8.270 nan 0.000 0.476 1050 K N -1.551 118.838 120.400 -0.017 0.000 3.192 1050 K HA -0.181 4.139 4.320 -0.000 0.000 0.278 1050 K C -0.472 176.136 176.600 0.013 0.000 1.164 1050 K CA 0.921 57.211 56.287 0.005 0.000 0.816 1050 K CB -2.553 29.955 32.500 0.012 0.000 1.256 1050 K HN 0.343 nan 8.250 nan 0.000 0.497 1051 A N 0.224 123.047 122.820 0.006 0.000 2.546 1051 A HA 0.425 4.745 4.320 -0.000 0.000 0.243 1051 A C 1.601 179.214 177.584 0.048 0.000 1.063 1051 A CA 1.291 53.339 52.037 0.018 0.000 0.757 1051 A CB -0.009 18.994 19.000 0.006 0.000 0.991 1051 A HN 1.238 nan 8.150 nan 0.000 0.503 1052 G N 1.755 110.602 108.800 0.079 0.000 2.148 1052 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.254 1052 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.254 1052 G C 0.818 175.819 174.900 0.168 0.000 0.981 1052 G CA 0.522 45.723 45.100 0.168 0.000 0.670 1052 G HN 1.177 nan 8.290 nan 0.000 0.528 1053 I N 0.394 121.030 120.570 0.110 0.000 2.454 1053 I HA 0.044 4.214 4.170 -0.000 0.000 0.254 1053 I C 2.793 179.022 176.117 0.186 0.000 1.156 1053 I CA 1.940 63.328 61.300 0.148 0.000 1.433 1053 I CB -0.139 37.931 38.000 0.116 0.000 1.082 1053 I HN 0.375 nan 8.210 nan 0.000 0.432 1054 A N -0.012 122.854 122.820 0.076 0.000 1.978 1054 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 1054 A C 2.095 179.682 177.584 0.005 0.000 1.170 1054 A CA 1.578 53.627 52.037 0.020 0.000 0.636 1054 A CB -0.953 17.990 19.000 -0.096 0.000 0.810 1054 A HN 0.554 nan 8.150 nan 0.000 0.448 1055 H N -1.159 117.956 119.070 0.075 0.000 2.352 1055 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 1055 H C 2.082 177.432 175.328 0.037 0.000 1.097 1055 H CA 1.867 57.943 56.048 0.046 0.000 1.311 1055 H CB -0.373 29.402 29.762 0.023 0.000 1.377 1055 H HN 0.455 nan 8.280 nan 0.000 0.504 1056 L N 0.429 121.749 121.223 0.162 0.000 2.131 1056 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 1056 L C 1.205 177.988 176.870 -0.145 0.000 1.092 1056 L CA 1.395 56.233 54.840 -0.002 0.000 0.759 1056 L CB -0.384 41.660 42.059 -0.026 0.000 0.903 1056 L HN 0.112 nan 8.230 nan 0.000 0.435 1057 Y N 0.006 120.314 120.300 0.014 0.000 2.537 1057 Y HA 0.384 4.933 4.550 -0.000 0.000 0.303 1057 Y C 1.554 177.450 175.900 -0.007 0.000 1.176 1057 Y CA 0.113 58.212 58.100 -0.000 0.000 1.273 1057 Y CB -0.232 38.222 38.460 -0.010 0.000 1.110 1057 Y HN 0.216 nan 8.280 nan 0.000 0.518 1058 G N 0.633 109.475 108.800 0.070 0.000 2.225 1058 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.264 1058 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.264 1058 G C 0.998 175.916 174.900 0.030 0.000 1.060 1058 G CA 0.513 45.639 45.100 0.044 0.000 0.833 1058 G HN 0.485 nan 8.290 nan 0.000 0.498 1059 I N 0.257 120.826 120.570 -0.003 0.000 2.361 1059 I HA 0.223 4.393 4.170 -0.000 0.000 0.251 1059 I C 2.295 178.391 176.117 -0.035 0.000 1.133 1059 I CA 2.432 63.701 61.300 -0.051 0.000 1.413 1059 I CB 0.048 37.955 38.000 -0.155 0.000 1.073 1059 I HN 0.656 nan 8.210 nan 0.000 0.424 1060 A N 0.080 122.899 122.820 -0.002 0.000 2.684 1060 A HA 0.642 4.962 4.320 -0.000 0.000 0.288 1060 A C 0.936 178.546 177.584 0.043 0.000 1.337 1060 A CA 0.145 52.205 52.037 0.039 0.000 0.946 1060 A CB -1.336 17.730 19.000 0.110 0.000 1.093 1060 A HN 0.720 nan 8.150 nan 0.000 0.543 1061 G N -1.082 107.735 108.800 0.028 0.000 2.829 1061 G HA2 0.188 4.148 3.960 -0.000 0.000 0.628 1061 G HA3 0.188 4.148 3.960 -0.000 0.000 0.628 1061 G C 0.300 175.216 174.900 0.026 0.000 1.412 1061 G CA -0.023 45.091 45.100 0.023 0.000 0.864 1061 G HN 1.645 nan 8.290 nan 0.000 0.544 1062 S N -1.751 113.959 115.700 0.015 0.000 3.963 1062 S HA -0.097 4.373 4.470 -0.000 0.000 0.438 1062 S C 0.532 175.133 174.600 0.002 0.000 0.879 1062 S CA 2.063 60.268 58.200 0.009 0.000 1.262 1062 S CB -1.192 62.016 63.200 0.012 0.000 0.850 1062 S HN 2.283 nan 8.310 nan 0.000 0.570 1063 T N 1.109 115.663 114.554 -0.001 0.000 3.444 1063 T HA 0.547 4.897 4.350 -0.000 0.000 0.265 1063 T C 0.501 175.191 174.700 -0.016 0.000 1.537 1063 T CA 0.158 62.251 62.100 -0.012 0.000 1.530 1063 T CB -0.406 68.466 68.868 0.006 0.000 0.958 1063 T HN 0.680 nan 8.240 nan 0.000 0.684 1064 N N 0.736 119.423 118.700 -0.022 0.000 2.166 1064 N HA 0.036 4.776 4.740 -0.000 0.000 0.222 1064 N C 1.203 176.697 175.510 -0.028 0.000 1.282 1064 N CA 0.356 53.395 53.050 -0.019 0.000 0.890 1064 N CB 0.717 39.197 38.487 -0.011 0.000 1.114 1064 N HN 0.251 nan 8.380 nan 0.000 0.494 1065 V N -0.284 119.609 119.914 -0.036 0.000 3.416 1065 V HA 0.198 4.318 4.120 -0.000 0.000 0.334 1065 V C 1.617 177.675 176.094 -0.060 0.000 1.271 1065 V CA 0.850 63.126 62.300 -0.040 0.000 1.274 1065 V CB -1.147 30.654 31.823 -0.035 0.000 1.153 1065 V HN 0.342 nan 8.190 nan 0.000 0.433 1066 T N 1.393 115.905 114.554 -0.071 0.000 2.849 1066 T HA -0.038 4.312 4.350 -0.000 0.000 0.270 1066 T C 1.243 175.900 174.700 -0.071 0.000 1.066 1066 T CA 1.238 63.279 62.100 -0.099 0.000 1.130 1066 T CB -1.032 67.784 68.868 -0.086 0.000 0.864 1066 T HN 0.996 nan 8.240 nan 0.000 0.481 1067 G N 3.057 111.829 108.800 -0.046 0.000 2.239 1067 G HA2 0.123 4.083 3.960 -0.000 0.000 0.278 1067 G HA3 0.123 4.083 3.960 -0.000 0.000 0.278 1067 G C -0.574 174.305 174.900 -0.035 0.000 1.071 1067 G CA -0.498 44.583 45.100 -0.032 0.000 1.198 1067 G HN 0.512 nan 8.290 nan 0.000 0.410 1068 D N 1.709 122.090 120.400 -0.032 0.000 2.581 1068 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 1068 D C 0.873 177.160 176.300 -0.021 0.000 1.145 1068 D CA 0.499 54.481 54.000 -0.029 0.000 0.866 1068 D CB 1.552 42.341 40.800 -0.018 0.000 1.151 1068 D HN 0.525 nan 8.370 nan 0.000 0.500 1069 Q N 1.069 120.856 119.800 -0.023 0.000 1.574 1069 Q HA -0.001 4.339 4.340 -0.000 0.000 0.167 1069 Q C -0.438 175.551 176.000 -0.018 0.000 0.649 1069 Q CA -0.004 55.788 55.803 -0.018 0.000 0.704 1069 Q CB 0.680 29.408 28.738 -0.017 0.000 1.181 1069 Q HN 0.311 nan 8.270 nan 0.000 0.373 1070 V N 3.961 123.859 119.914 -0.025 0.000 2.493 1070 V HA 0.003 4.122 4.120 -0.000 0.000 0.292 1070 V C 0.616 176.699 176.094 -0.017 0.000 1.016 1070 V CA 0.591 62.877 62.300 -0.024 0.000 1.097 1070 V CB 0.390 32.194 31.823 -0.033 0.000 0.947 1070 V HN 0.132 nan 8.190 nan 0.000 0.479 1071 K N 5.469 125.861 120.400 -0.014 0.000 2.359 1071 K HA -0.136 4.184 4.320 -0.000 0.000 0.256 1071 K C 0.499 177.095 176.600 -0.006 0.000 1.194 1071 K CA 0.642 56.924 56.287 -0.009 0.000 1.234 1071 K CB -0.034 32.460 32.500 -0.009 0.000 0.776 1071 K HN 0.572 nan 8.250 nan 0.000 0.504 1072 K N 2.483 122.882 120.400 -0.002 0.000 2.440 1072 K HA -0.119 4.201 4.320 -0.000 0.000 0.270 1072 K C 1.392 177.994 176.600 0.004 0.000 0.980 1072 K CA -0.449 55.840 56.287 0.003 0.000 0.953 1072 K CB 0.372 32.877 32.500 0.007 0.000 0.925 1072 K HN 0.352 nan 8.250 nan 0.000 0.497 1073 L N 3.507 124.733 121.223 0.005 0.000 2.081 1073 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 1073 L C 1.404 178.278 176.870 0.006 0.000 1.080 1073 L CA 2.200 57.040 54.840 -0.001 0.000 0.754 1073 L CB -0.753 41.305 42.059 -0.002 0.000 0.893 1073 L HN 0.795 nan 8.230 nan 0.000 0.433 1074 D N -1.905 118.506 120.400 0.017 0.000 2.097 1074 D HA -0.180 4.460 4.640 -0.000 0.000 0.197 1074 D C 1.948 178.265 176.300 0.028 0.000 0.984 1074 D CA 1.430 55.448 54.000 0.029 0.000 0.826 1074 D CB -0.742 40.075 40.800 0.028 0.000 0.973 1074 D HN 0.207 nan 8.370 nan 0.000 0.460 1075 V N 0.326 120.251 119.914 0.018 0.000 2.427 1075 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 1075 V C 2.323 178.427 176.094 0.016 0.000 1.051 1075 V CA 1.172 63.483 62.300 0.017 0.000 1.048 1075 V CB -0.574 31.255 31.823 0.009 0.000 0.666 1075 V HN 0.186 nan 8.190 nan 0.000 0.456 1076 L N 0.230 121.457 121.223 0.007 0.000 2.027 1076 L HA -0.089 4.250 4.340 -0.000 0.000 0.206 1076 L C 2.490 179.361 176.870 0.001 0.000 1.074 1076 L CA 2.123 56.962 54.840 -0.002 0.000 0.745 1076 L CB -0.717 41.335 42.059 -0.012 0.000 0.898 1076 L HN 0.248 nan 8.230 nan 0.000 0.433 1077 S N -0.038 115.667 115.700 0.008 0.000 2.368 1077 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 1077 S C 1.828 176.452 174.600 0.041 0.000 1.030 1077 S CA 1.516 59.725 58.200 0.016 0.000 0.999 1077 S CB -0.663 62.557 63.200 0.035 0.000 0.844 1077 S HN 0.615 nan 8.310 nan 0.000 0.459 1078 N N 1.470 120.214 118.700 0.074 0.000 2.120 1078 N HA -0.117 4.622 4.740 -0.000 0.000 0.188 1078 N C 1.129 176.685 175.510 0.078 0.000 1.024 1078 N CA 1.404 54.533 53.050 0.131 0.000 0.852 1078 N CB -0.239 38.321 38.487 0.123 0.000 1.003 1078 N HN 0.179 nan 8.380 nan 0.000 0.424 1079 D N -0.049 120.373 120.400 0.036 0.000 2.144 1079 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 1079 D C 1.992 178.283 176.300 -0.015 0.000 0.984 1079 D CA 0.578 54.585 54.000 0.013 0.000 0.834 1079 D CB -0.234 40.568 40.800 0.003 0.000 0.955 1079 D HN 0.317 nan 8.370 nan 0.000 0.465 1080 L N 0.236 121.443 121.223 -0.027 0.000 1.994 1080 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 1080 L C 2.565 179.376 176.870 -0.097 0.000 1.071 1080 L CA 0.752 55.561 54.840 -0.051 0.000 0.745 1080 L CB -0.389 41.643 42.059 -0.046 0.000 0.892 1080 L HN -0.057 nan 8.230 nan 0.000 0.431 1081 V N -0.053 119.774 119.914 -0.144 0.000 2.287 1081 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 1081 V C 2.397 178.314 176.094 -0.294 0.000 1.053 1081 V CA 1.557 63.663 62.300 -0.322 0.000 1.027 1081 V CB -0.419 31.025 31.823 -0.631 0.000 0.646 1081 V HN 0.281 nan 8.190 nan 0.000 0.447 1082 I N 0.360 120.845 120.570 -0.141 0.000 2.142 1082 I HA -0.201 3.968 4.170 -0.000 0.000 0.240 1082 I C 2.387 178.468 176.117 -0.060 0.000 1.078 1082 I CA 1.681 62.957 61.300 -0.040 0.000 1.343 1082 I CB -1.452 36.589 38.000 0.068 0.000 1.046 1082 I HN 0.430 nan 8.210 nan 0.000 0.405 1083 N N 0.756 119.423 118.700 -0.054 0.000 2.106 1083 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 1083 N C 2.008 177.480 175.510 -0.064 0.000 1.029 1083 N CA 1.206 54.225 53.050 -0.051 0.000 0.848 1083 N CB 0.014 38.479 38.487 -0.037 0.000 1.007 1083 N HN 0.155 nan 8.380 nan 0.000 0.423 1084 V N 2.235 122.102 119.914 -0.079 0.000 2.343 1084 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 1084 V C 2.472 178.512 176.094 -0.091 0.000 1.051 1084 V CA 1.233 63.486 62.300 -0.080 0.000 1.036 1084 V CB -0.482 31.282 31.823 -0.098 0.000 0.654 1084 V HN 0.270 nan 8.190 nan 0.000 0.451 1085 L N -0.598 120.550 121.223 -0.126 0.000 2.093 1085 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 1085 L C 2.606 179.428 176.870 -0.080 0.000 1.085 1085 L CA 1.583 56.353 54.840 -0.117 0.000 0.755 1085 L CB -0.521 41.447 42.059 -0.152 0.000 0.904 1085 L HN 0.314 nan 8.230 nan 0.000 0.435 1086 K N -0.198 120.148 120.400 -0.090 0.000 2.148 1086 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 1086 K C 2.158 178.634 176.600 -0.206 0.000 1.050 1086 K CA 1.602 57.807 56.287 -0.135 0.000 0.942 1086 K CB -0.156 32.267 32.500 -0.129 0.000 0.724 1086 K HN 0.301 nan 8.250 nan 0.000 0.446 1087 S N 0.579 116.216 115.700 -0.105 0.000 2.561 1087 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 1087 S C 1.818 176.528 174.600 0.183 0.000 0.977 1087 S CA 1.013 59.212 58.200 -0.003 0.000 0.926 1087 S CB -0.166 63.055 63.200 0.036 0.000 0.769 1087 S HN 0.264 nan 8.310 nan 0.000 0.533 1088 S N 0.302 116.060 115.700 0.097 0.000 2.489 1088 S HA 0.153 4.623 4.470 -0.000 0.000 0.228 1088 S C 0.597 175.388 174.600 0.318 0.000 0.995 1088 S CA 0.016 58.309 58.200 0.154 0.000 0.934 1088 S CB -1.159 62.063 63.200 0.037 0.000 0.771 1088 S HN 0.511 nan 8.310 nan 0.000 0.522 1089 F N 0.302 120.252 119.950 0.001 0.000 3.093 1089 F HA -0.255 4.272 4.527 -0.000 0.000 0.287 1089 F C 1.199 177.022 175.800 0.039 0.000 0.882 1089 F CA 0.317 58.326 58.000 0.016 0.000 1.063 1089 F CB -1.710 37.296 39.000 0.010 0.000 1.097 1089 F HN 0.436 nan 8.300 nan 0.000 0.604 1090 A N -1.315 121.604 122.820 0.165 0.000 2.508 1090 A HA 0.493 4.813 4.320 -0.000 0.000 0.250 1090 A C 0.912 178.626 177.584 0.216 0.000 1.208 1090 A CA 0.723 52.878 52.037 0.198 0.000 0.960 1090 A CB 0.258 19.351 19.000 0.155 0.000 1.099 1090 A HN 0.408 nan 8.150 nan 0.000 0.542 1091 T N -4.009 110.616 114.554 0.118 0.000 2.924 1091 T HA 0.462 4.812 4.350 -0.000 0.000 0.291 1091 T C 0.602 175.338 174.700 0.060 0.000 1.045 1091 T CA -0.022 62.149 62.100 0.118 0.000 1.015 1091 T CB 1.420 70.344 68.868 0.094 0.000 1.103 1091 T HN 0.677 nan 8.240 nan 0.000 0.496 1092 C N 0.176 119.512 119.300 0.060 0.000 3.480 1092 C HA 0.662 5.122 4.460 -0.000 0.000 0.480 1092 C C 0.029 175.037 174.990 0.030 0.000 1.410 1092 C CA -0.372 58.663 59.018 0.027 0.000 2.172 1092 C CB -0.603 27.145 27.740 0.012 0.000 3.162 1092 C HN 0.658 nan 8.230 nan 0.000 0.635 1093 V N 2.427 122.374 119.914 0.055 0.000 2.638 1093 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 1093 V C -0.871 175.281 176.094 0.097 0.000 1.052 1093 V CA -0.173 62.161 62.300 0.057 0.000 0.885 1093 V CB 1.814 33.661 31.823 0.041 0.000 0.999 1093 V HN 0.404 nan 8.190 nan 0.000 0.424 1094 L N 4.822 126.104 121.223 0.098 0.000 2.365 1094 L HA 0.772 5.112 4.340 -0.000 0.000 0.273 1094 L C -0.883 176.029 176.870 0.070 0.000 1.000 1094 L CA -0.936 54.002 54.840 0.164 0.000 0.819 1094 L CB 2.265 44.477 42.059 0.254 0.000 1.284 1094 L HN 0.312 nan 8.230 nan 0.000 0.418 1095 V N 1.502 121.422 119.914 0.009 0.000 2.444 1095 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 1095 V C -0.253 175.506 176.094 -0.558 0.000 1.022 1095 V CA -0.264 61.945 62.300 -0.153 0.000 0.850 1095 V CB 1.867 33.663 31.823 -0.045 0.000 0.992 1095 V HN 0.834 nan 8.190 nan 0.000 0.426 1096 S N 2.759 118.088 115.700 -0.618 0.000 2.526 1096 S HA 0.374 4.844 4.470 -0.000 0.000 0.293 1096 S C 0.825 175.033 174.600 -0.653 0.000 1.092 1096 S CA -0.442 57.135 58.200 -1.038 0.000 0.980 1096 S CB 1.963 64.590 63.200 -0.955 0.000 1.048 1096 S HN 0.872 nan 8.310 nan 0.000 0.483 1097 E N 1.586 121.208 120.200 -0.963 0.000 2.187 1097 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 1097 E C 0.771 177.222 176.600 -0.248 0.000 1.004 1097 E CA 1.519 57.559 56.400 -0.600 0.000 0.813 1097 E CB 0.069 29.497 29.700 -0.452 0.000 0.736 1097 E HN 0.659 nan 8.360 nan 0.000 0.468 1098 E N 0.667 120.743 120.200 -0.208 0.000 2.285 1098 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 1098 E C -0.396 176.157 176.600 -0.078 0.000 0.997 1098 E CA 0.621 56.956 56.400 -0.108 0.000 0.845 1098 E CB -0.037 29.630 29.700 -0.054 0.000 0.782 1098 E HN 0.297 nan 8.360 nan 0.000 0.491 1099 D N -0.272 120.093 120.400 -0.059 0.000 2.278 1099 D HA 0.126 4.766 4.640 -0.000 0.000 0.245 1099 D C 0.802 177.162 176.300 0.100 0.000 1.052 1099 D CA -0.348 53.653 54.000 0.002 0.000 0.834 1099 D CB 2.066 42.866 40.800 -0.001 0.000 1.194 1099 D HN -0.237 nan 8.370 nan 0.000 0.481 1100 K N 1.700 122.145 120.400 0.076 0.000 2.063 1100 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 1100 K C -0.157 176.587 176.600 0.240 0.000 1.048 1100 K CA 1.200 57.578 56.287 0.153 0.000 0.928 1100 K CB 0.115 32.651 32.500 0.060 0.000 0.713 1100 K HN 0.410 nan 8.250 nan 0.000 0.442 1101 N N -1.085 117.680 118.700 0.108 0.000 2.471 1101 N HA 0.369 5.109 4.740 -0.000 0.000 0.288 1101 N C -1.496 174.023 175.510 0.014 0.000 1.220 1101 N CA -0.645 52.435 53.050 0.050 0.000 0.893 1101 N CB 1.604 40.108 38.487 0.027 0.000 1.256 1101 N HN 0.171 nan 8.380 nan 0.000 0.534 1102 A N 0.847 123.656 122.820 -0.019 0.000 2.498 1102 A HA 0.184 4.504 4.320 -0.000 0.000 0.239 1102 A C -0.207 177.377 177.584 -0.000 0.000 1.068 1102 A CA 0.051 52.074 52.037 -0.023 0.000 0.766 1102 A CB -0.149 18.835 19.000 -0.027 0.000 1.003 1102 A HN 0.488 nan 8.150 nan 0.000 0.497 1103 I N 3.133 123.711 120.570 0.012 0.000 2.325 1103 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 1103 I C 0.144 176.274 176.117 0.021 0.000 1.019 1103 I CA -0.067 61.247 61.300 0.022 0.000 1.302 1103 I CB 0.500 38.526 38.000 0.043 0.000 1.401 1103 I HN 0.438 nan 8.210 nan 0.000 0.485 1104 I N 6.734 127.310 120.570 0.010 0.000 2.342 1104 I HA 0.213 4.383 4.170 -0.000 0.000 0.291 1104 I C 0.245 176.361 176.117 -0.002 0.000 1.010 1104 I CA -0.680 60.623 61.300 0.005 0.000 1.308 1104 I CB 1.384 39.383 38.000 -0.001 0.000 1.400 1104 I HN 0.142 nan 8.210 nan 0.000 0.488 1105 V N 5.908 125.820 119.914 -0.004 0.000 2.614 1105 V HA 0.032 4.152 4.120 -0.000 0.000 0.291 1105 V C 0.231 176.305 176.094 -0.034 0.000 1.049 1105 V CA -0.573 61.712 62.300 -0.025 0.000 1.038 1105 V CB 0.808 32.614 31.823 -0.030 0.000 0.980 1105 V HN 0.689 nan 8.190 nan 0.000 0.481 1106 E N 6.529 126.698 120.200 -0.051 0.000 2.452 1106 E HA 0.064 4.414 4.350 -0.000 0.000 0.261 1106 E C -1.760 174.814 176.600 -0.044 0.000 0.987 1106 E CA -1.032 55.341 56.400 -0.046 0.000 0.926 1106 E CB -0.065 29.602 29.700 -0.055 0.000 0.934 1106 E HN 0.384 nan 8.360 nan 0.000 0.452 1107 P HA -0.303 nan 4.420 nan 0.000 0.218 1107 P C 1.087 178.390 177.300 0.005 0.000 1.154 1107 P CA 1.575 64.672 63.100 -0.005 0.000 0.872 1107 P CB 0.122 31.824 31.700 0.002 0.000 0.790 1108 E N 0.477 120.678 120.200 0.002 0.000 2.153 1108 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 1108 E C 1.185 177.804 176.600 0.032 0.000 0.988 1108 E CA 1.425 57.851 56.400 0.044 0.000 0.811 1108 E CB -0.776 28.952 29.700 0.047 0.000 0.746 1108 E HN 0.295 nan 8.360 nan 0.000 0.466 1109 K N 0.521 120.822 120.400 -0.166 0.000 2.410 1109 K HA 0.168 4.488 4.320 -0.000 0.000 0.200 1109 K C 0.524 176.996 176.600 -0.213 0.000 1.023 1109 K CA -0.318 55.666 56.287 -0.505 0.000 1.149 1109 K CB 0.452 32.559 32.500 -0.655 0.000 0.859 1109 K HN -0.076 nan 8.250 nan 0.000 0.514 1110 R N 0.492 120.967 120.500 -0.041 0.000 2.438 1110 R HA 0.201 4.541 4.340 -0.000 0.000 0.287 1110 R C -0.024 176.310 176.300 0.056 0.000 1.077 1110 R CA -0.004 56.096 56.100 0.001 0.000 1.034 1110 R CB 0.780 31.083 30.300 0.005 0.000 0.993 1110 R HN 0.202 nan 8.270 nan 0.000 0.459 1111 G N 1.314 110.149 108.800 0.058 0.000 3.105 1111 G HA2 0.169 4.129 3.960 -0.000 0.000 0.277 1111 G HA3 0.169 4.129 3.960 -0.000 0.000 0.277 1111 G C -0.475 174.441 174.900 0.026 0.000 1.375 1111 G CA -0.640 44.509 45.100 0.083 0.000 0.962 1111 G HN 0.652 nan 8.290 nan 0.000 0.541 1112 K N -1.354 119.021 120.400 -0.042 0.000 2.404 1112 K HA 0.223 4.543 4.320 -0.000 0.000 0.194 1112 K C -0.665 175.720 176.600 -0.358 0.000 1.023 1112 K CA 0.086 56.236 56.287 -0.227 0.000 1.094 1112 K CB -0.015 32.273 32.500 -0.354 0.000 0.841 1112 K HN 0.351 nan 8.250 nan 0.000 0.523 1113 Y N 0.697 121.023 120.300 0.043 0.000 2.376 1113 Y HA 0.375 4.925 4.550 -0.000 0.000 0.325 1113 Y C -0.065 175.879 175.900 0.072 0.000 1.199 1113 Y CA -1.168 56.967 58.100 0.059 0.000 1.206 1113 Y CB 1.778 40.265 38.460 0.045 0.000 1.229 1113 Y HN -0.311 nan 8.280 nan 0.000 0.480 1114 V N 3.340 123.419 119.914 0.276 0.000 2.448 1114 V HA 0.523 4.643 4.120 -0.000 0.000 0.295 1114 V C -0.880 175.393 176.094 0.298 0.000 1.025 1114 V CA -0.855 61.589 62.300 0.240 0.000 0.859 1114 V CB 1.453 33.401 31.823 0.207 0.000 0.988 1114 V HN 0.504 nan 8.190 nan 0.000 0.431 1115 V N 3.445 123.519 119.914 0.266 0.000 2.483 1115 V HA 0.400 4.520 4.120 -0.000 0.000 0.297 1115 V C -0.331 175.975 176.094 0.354 0.000 1.027 1115 V CA -0.509 61.970 62.300 0.298 0.000 0.855 1115 V CB 1.695 33.672 31.823 0.256 0.000 0.995 1115 V HN 0.945 nan 8.190 nan 0.000 0.424 1116 C N 6.463 125.973 119.300 0.351 0.000 2.295 1116 C HA 0.892 5.352 4.460 -0.000 0.000 0.331 1116 C C -0.186 175.031 174.990 0.378 0.000 1.280 1116 C CA -0.747 58.448 59.018 0.295 0.000 1.746 1116 C CB -0.630 27.309 27.740 0.332 0.000 2.328 1116 C HN 0.850 nan 8.230 nan 0.000 0.521 1117 F N 0.293 120.324 119.950 0.135 0.000 2.645 1117 F HA 0.650 5.177 4.527 -0.000 0.000 0.310 1117 F C -1.050 174.719 175.800 -0.052 0.000 1.102 1117 F CA -1.165 56.909 58.000 0.124 0.000 0.952 1117 F CB 1.040 40.112 39.000 0.121 0.000 1.326 1117 F HN 0.295 nan 8.300 nan 0.000 0.456 1118 D N 3.422 123.948 120.400 0.209 0.000 2.460 1118 D HA 0.396 5.036 4.640 -0.000 0.000 0.232 1118 D C -1.813 174.655 176.300 0.281 0.000 1.079 1118 D CA -2.646 51.422 54.000 0.114 0.000 0.864 1118 D CB 1.849 42.771 40.800 0.203 0.000 1.048 1118 D HN 0.265 nan 8.370 nan 0.000 0.523 1119 P HA -0.051 nan 4.420 nan 0.000 0.217 1119 P C 0.146 177.581 177.300 0.226 0.000 1.150 1119 P CA 0.337 63.631 63.100 0.323 0.000 0.832 1119 P CB 0.769 32.646 31.700 0.296 0.000 0.787 1120 L N -0.225 121.105 121.223 0.178 0.000 2.555 1120 L HA 0.454 4.794 4.340 -0.000 0.000 0.264 1120 L C -1.464 175.487 176.870 0.134 0.000 0.972 1120 L CA -0.844 54.099 54.840 0.171 0.000 0.876 1120 L CB 1.555 43.688 42.059 0.125 0.000 1.216 1120 L HN -0.299 nan 8.230 nan 0.000 0.415 1121 D N 2.812 123.292 120.400 0.134 0.000 2.198 1121 D HA 0.739 5.379 4.640 -0.000 0.000 0.247 1121 D C 0.573 176.916 176.300 0.071 0.000 1.010 1121 D CA 0.716 54.773 54.000 0.094 0.000 0.880 1121 D CB 1.645 42.493 40.800 0.081 0.000 1.209 1121 D HN 0.846 nan 8.370 nan 0.000 0.451 1122 G N 1.793 110.630 108.800 0.060 0.000 2.309 1122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.183 1122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.183 1122 G C 0.944 175.879 174.900 0.057 0.000 1.063 1122 G CA 0.461 45.590 45.100 0.048 0.000 0.768 1122 G HN 0.665 nan 8.290 nan 0.000 0.490 1123 S N -0.211 115.527 115.700 0.063 0.000 2.400 1123 S HA -0.144 4.326 4.470 -0.000 0.000 0.232 1123 S C 2.643 177.277 174.600 0.056 0.000 1.025 1123 S CA 2.213 60.448 58.200 0.058 0.000 0.993 1123 S CB -0.378 62.855 63.200 0.056 0.000 0.808 1123 S HN 1.886 nan 8.310 nan 0.000 0.478 1124 S N 1.274 117.012 115.700 0.064 0.000 2.515 1124 S HA 0.119 4.589 4.470 -0.000 0.000 0.231 1124 S C 1.488 176.120 174.600 0.054 0.000 0.987 1124 S CA 0.506 58.745 58.200 0.064 0.000 0.936 1124 S CB -0.496 62.754 63.200 0.083 0.000 0.766 1124 S HN 0.545 nan 8.310 nan 0.000 0.528 1125 N N 0.966 119.694 118.700 0.048 0.000 2.299 1125 N HA 0.345 5.085 4.740 -0.000 0.000 0.187 1125 N C 1.290 176.824 175.510 0.040 0.000 1.099 1125 N CA 0.163 53.237 53.050 0.040 0.000 0.867 1125 N CB -0.166 38.339 38.487 0.029 0.000 0.974 1125 N HN 0.451 nan 8.380 nan 0.000 0.477 1126 I N 1.177 121.773 120.570 0.044 0.000 2.099 1126 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 1126 I C 1.353 177.491 176.117 0.036 0.000 1.066 1126 I CA 1.363 62.688 61.300 0.041 0.000 1.324 1126 I CB -0.153 37.871 38.000 0.041 0.000 1.037 1126 I HN -0.049 nan 8.210 nan 0.000 0.401 1127 D N 0.233 120.655 120.400 0.036 0.000 2.309 1127 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 1127 D C 1.816 178.135 176.300 0.031 0.000 0.968 1127 D CA 1.192 55.213 54.000 0.034 0.000 0.882 1127 D CB -0.255 40.566 40.800 0.034 0.000 0.918 1127 D HN 0.549 nan 8.370 nan 0.000 0.503 1128 C N -1.183 118.135 119.300 0.031 0.000 2.974 1128 C HA 0.460 4.920 4.460 -0.000 0.000 0.282 1128 C C 1.303 176.308 174.990 0.025 0.000 1.292 1128 C CA -0.586 58.448 59.018 0.027 0.000 1.710 1128 C CB -1.031 26.726 27.740 0.028 0.000 2.036 1128 C HN 0.330 nan 8.230 nan 0.000 0.629 1129 L N -0.767 120.473 121.223 0.028 0.000 4.351 1129 L HA -0.137 4.203 4.340 -0.000 0.000 0.410 1129 L C 0.297 177.185 176.870 0.030 0.000 1.150 1129 L CA -0.083 54.773 54.840 0.027 0.000 0.961 1129 L CB -2.224 39.848 42.059 0.021 0.000 2.130 1129 L HN 0.403 nan 8.230 nan 0.000 0.787 1130 V N 0.030 119.962 119.914 0.030 0.000 2.953 1130 V HA 0.260 4.380 4.120 -0.000 0.000 0.304 1130 V C 1.288 177.401 176.094 0.032 0.000 1.073 1130 V CA 0.091 62.406 62.300 0.025 0.000 1.064 1130 V CB 1.879 33.713 31.823 0.018 0.000 1.047 1130 V HN 0.315 nan 8.190 nan 0.000 0.478 1131 S N 3.581 119.295 115.700 0.024 0.000 2.558 1131 S HA 0.254 4.724 4.470 -0.000 0.000 0.291 1131 S C -0.151 174.471 174.600 0.036 0.000 1.306 1131 S CA 0.206 58.425 58.200 0.032 0.000 1.056 1131 S CB -0.250 62.949 63.200 -0.001 0.000 0.836 1131 S HN 0.565 nan 8.310 nan 0.000 0.504 1132 I N -1.340 119.282 120.570 0.086 0.000 3.279 1132 I HA 1.043 5.213 4.170 -0.000 0.000 0.315 1132 I C 0.118 176.314 176.117 0.131 0.000 1.187 1132 I CA -1.153 60.214 61.300 0.111 0.000 0.953 1132 I CB 2.051 40.142 38.000 0.151 0.000 1.279 1132 I HN 0.680 nan 8.210 nan 0.000 0.465 1133 G N 0.161 109.036 108.800 0.124 0.000 2.548 1133 G HA2 0.605 4.564 3.960 -0.000 0.000 0.301 1133 G HA3 0.605 4.564 3.960 -0.000 0.000 0.301 1133 G C -1.763 173.209 174.900 0.121 0.000 1.349 1133 G CA -0.541 44.528 45.100 -0.053 0.000 0.792 1133 G HN 0.661 nan 8.290 nan 0.000 0.481 1134 T N 0.551 115.142 114.554 0.063 0.000 2.841 1134 T HA 0.651 5.001 4.350 -0.000 0.000 0.283 1134 T C -0.422 174.425 174.700 0.245 0.000 1.000 1134 T CA -0.108 62.125 62.100 0.221 0.000 0.977 1134 T CB 1.151 70.192 68.868 0.289 0.000 0.979 1134 T HN 0.451 nan 8.240 nan 0.000 0.446 1135 I N 4.096 124.830 120.570 0.273 0.000 2.465 1135 I HA 0.673 4.843 4.170 -0.000 0.000 0.291 1135 I C -0.828 175.494 176.117 0.341 0.000 1.014 1135 I CA -1.138 60.299 61.300 0.228 0.000 1.093 1135 I CB 1.416 39.509 38.000 0.155 0.000 1.267 1135 I HN 0.625 nan 8.210 nan 0.000 0.431 1136 F N 2.592 122.634 119.950 0.154 0.000 2.599 1136 F HA 0.969 5.496 4.527 -0.000 0.000 0.311 1136 F C -0.275 175.563 175.800 0.063 0.000 1.076 1136 F CA -0.995 57.091 58.000 0.143 0.000 0.937 1136 F CB 1.790 40.832 39.000 0.071 0.000 1.282 1136 F HN 0.436 nan 8.300 nan 0.000 0.460 1137 G N 2.971 111.886 108.800 0.190 0.000 2.687 1137 G HA2 0.650 4.610 3.960 -0.000 0.000 0.301 1137 G HA3 0.650 4.610 3.960 -0.000 0.000 0.301 1137 G C -1.860 173.000 174.900 -0.066 0.000 1.416 1137 G CA -0.774 44.289 45.100 -0.061 0.000 1.005 1137 G HN 0.603 nan 8.290 nan 0.000 0.509 1138 I N 2.050 122.491 120.570 -0.214 0.000 2.406 1138 I HA 0.419 4.589 4.170 -0.000 0.000 0.290 1138 I C -0.947 175.016 176.117 -0.256 0.000 0.999 1138 I CA -0.982 60.249 61.300 -0.114 0.000 1.124 1138 I CB 1.423 39.400 38.000 -0.038 0.000 1.289 1138 I HN 0.390 nan 8.210 nan 0.000 0.441 1139 Y N 4.284 124.669 120.300 0.142 0.000 2.549 1139 Y HA 0.533 5.083 4.550 -0.000 0.000 0.339 1139 Y C 0.571 176.591 175.900 0.199 0.000 1.053 1139 Y CA -0.844 57.333 58.100 0.127 0.000 1.105 1139 Y CB 1.514 40.013 38.460 0.065 0.000 1.258 1139 Y HN 0.431 nan 8.280 nan 0.000 0.478 1140 R N 1.966 122.628 120.500 0.269 0.000 2.349 1140 R HA 0.232 4.572 4.340 -0.000 0.000 0.299 1140 R C -0.357 175.926 176.300 -0.029 0.000 1.027 1140 R CA -0.860 55.230 56.100 -0.016 0.000 0.958 1140 R CB 0.669 30.944 30.300 -0.043 0.000 1.047 1140 R HN 0.421 nan 8.270 nan 0.000 0.468 1141 K N 3.236 123.566 120.400 -0.118 0.000 2.430 1141 K HA -0.089 4.231 4.320 -0.000 0.000 0.280 1141 K C 0.298 176.862 176.600 -0.060 0.000 1.063 1141 K CA 0.629 56.874 56.287 -0.071 0.000 1.071 1141 K CB 0.171 32.621 32.500 -0.084 0.000 0.899 1141 K HN 0.873 nan 8.250 nan 0.000 0.473 1142 N N 1.044 119.720 118.700 -0.041 0.000 2.197 1142 N HA -0.134 4.606 4.740 -0.000 0.000 0.184 1142 N C 0.496 175.986 175.510 -0.033 0.000 1.030 1142 N CA 0.230 53.261 53.050 -0.033 0.000 0.851 1142 N CB -0.146 38.319 38.487 -0.037 0.000 1.003 1142 N HN 0.438 nan 8.380 nan 0.000 0.430 1143 S N -0.269 115.410 115.700 -0.035 0.000 2.632 1143 S HA 0.206 4.676 4.470 -0.000 0.000 0.267 1143 S C 0.883 175.466 174.600 -0.028 0.000 1.193 1143 S CA 0.085 58.267 58.200 -0.029 0.000 1.003 1143 S CB 0.816 63.999 63.200 -0.029 0.000 1.073 1143 S HN 0.478 nan 8.310 nan 0.000 0.553 1144 T N -2.916 111.624 114.554 -0.023 0.000 3.043 1144 T HA 0.247 4.597 4.350 -0.000 0.000 0.272 1144 T C -0.338 174.351 174.700 -0.018 0.000 0.990 1144 T CA -0.218 61.870 62.100 -0.021 0.000 0.897 1144 T CB -0.652 68.206 68.868 -0.017 0.000 1.111 1144 T HN 0.665 nan 8.240 nan 0.000 0.529 1145 D N 1.223 121.613 120.400 -0.018 0.000 2.447 1145 D HA 0.335 4.975 4.640 -0.000 0.000 0.265 1145 D C 0.216 176.507 176.300 -0.015 0.000 1.250 1145 D CA -0.778 53.212 54.000 -0.015 0.000 1.046 1145 D CB 0.246 41.037 40.800 -0.016 0.000 1.095 1145 D HN -0.179 nan 8.370 nan 0.000 0.555 1146 E N 0.839 121.031 120.200 -0.013 0.000 2.502 1146 E HA 0.081 4.431 4.350 -0.000 0.000 0.261 1146 E C -1.982 174.610 176.600 -0.014 0.000 0.974 1146 E CA -1.446 54.947 56.400 -0.012 0.000 0.936 1146 E CB -0.157 29.537 29.700 -0.010 0.000 0.926 1146 E HN 0.292 nan 8.360 nan 0.000 0.459 1147 P HA 0.019 nan 4.420 nan 0.000 0.268 1147 P C -0.679 176.614 177.300 -0.012 0.000 1.204 1147 P CA 0.060 63.152 63.100 -0.012 0.000 0.768 1147 P CB 0.769 32.464 31.700 -0.007 0.000 0.842 1148 S N 0.307 115.997 115.700 -0.016 0.000 2.727 1148 S HA 0.215 4.685 4.470 -0.000 0.000 0.278 1148 S C 0.982 175.569 174.600 -0.023 0.000 1.186 1148 S CA -0.716 57.474 58.200 -0.017 0.000 0.836 1148 S CB 1.158 64.347 63.200 -0.018 0.000 1.186 1148 S HN 0.371 nan 8.310 nan 0.000 0.499 1149 E N 1.054 121.238 120.200 -0.026 0.000 2.118 1149 E HA -0.212 4.138 4.350 -0.000 0.000 0.195 1149 E C 1.813 178.383 176.600 -0.051 0.000 0.992 1149 E CA 1.680 58.057 56.400 -0.038 0.000 0.804 1149 E CB -0.277 29.398 29.700 -0.040 0.000 0.741 1149 E HN 0.660 nan 8.360 nan 0.000 0.458 1150 K N 0.329 120.701 120.400 -0.048 0.000 2.281 1150 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 1150 K C 1.179 177.735 176.600 -0.074 0.000 1.046 1150 K CA 1.789 58.040 56.287 -0.059 0.000 0.938 1150 K CB 0.060 32.532 32.500 -0.047 0.000 0.737 1150 K HN 0.049 nan 8.250 nan 0.000 0.458 1151 D N 0.908 121.270 120.400 -0.063 0.000 2.348 1151 D HA -0.045 4.595 4.640 -0.000 0.000 0.216 1151 D C 1.372 177.603 176.300 -0.114 0.000 0.970 1151 D CA 1.112 55.068 54.000 -0.074 0.000 0.889 1151 D CB 0.279 41.055 40.800 -0.040 0.000 0.912 1151 D HN 0.514 nan 8.370 nan 0.000 0.524 1152 A N 0.109 122.864 122.820 -0.109 0.000 2.275 1152 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 1152 A C 1.356 178.808 177.584 -0.220 0.000 1.201 1152 A CA -0.157 51.796 52.037 -0.140 0.000 0.843 1152 A CB -0.040 18.932 19.000 -0.048 0.000 0.873 1152 A HN 0.123 nan 8.150 nan 0.000 0.492 1153 L N 1.187 122.294 121.223 -0.192 0.000 2.990 1153 L HA 0.183 4.523 4.340 -0.000 0.000 0.231 1153 L C -0.217 176.526 176.870 -0.212 0.000 1.341 1153 L CA -0.097 54.639 54.840 -0.172 0.000 1.208 1153 L CB -0.274 41.718 42.059 -0.111 0.000 1.571 1153 L HN 0.431 nan 8.230 nan 0.000 0.453 1154 Q N 1.379 120.954 119.800 -0.374 0.000 2.235 1154 Q HA 0.441 4.781 4.340 -0.000 0.000 0.256 1154 Q C -2.260 173.603 176.000 -0.229 0.000 0.951 1154 Q CA -2.097 53.495 55.803 -0.353 0.000 0.890 1154 Q CB 1.665 30.084 28.738 -0.532 0.000 1.279 1154 Q HN 0.040 nan 8.270 nan 0.000 0.444 1155 P HA -0.027 nan 4.420 nan 0.000 0.272 1155 P C 0.369 177.768 177.300 0.165 0.000 1.230 1155 P CA 0.026 63.146 63.100 0.032 0.000 0.788 1155 P CB 0.586 32.304 31.700 0.030 0.000 0.949 1156 G N 1.638 110.549 108.800 0.185 0.000 2.479 1156 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 1156 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 1156 G C 1.650 176.678 174.900 0.214 0.000 1.115 1156 G CA 0.329 45.568 45.100 0.232 0.000 0.757 1156 G HN 0.434 nan 8.290 nan 0.000 0.560 1157 R N 0.592 121.201 120.500 0.181 0.000 2.159 1157 R HA -0.001 4.339 4.340 -0.000 0.000 0.237 1157 R C 1.830 178.239 176.300 0.180 0.000 1.131 1157 R CA 1.288 57.489 56.100 0.168 0.000 0.982 1157 R CB -0.317 30.050 30.300 0.113 0.000 0.868 1157 R HN 0.467 nan 8.270 nan 0.000 0.453 1158 N N -0.318 118.515 118.700 0.221 0.000 2.383 1158 N HA 0.035 4.775 4.740 -0.000 0.000 0.192 1158 N C -0.597 175.045 175.510 0.220 0.000 1.141 1158 N CA -0.289 52.903 53.050 0.236 0.000 0.851 1158 N CB 0.274 38.913 38.487 0.253 0.000 0.976 1158 N HN 0.110 nan 8.380 nan 0.000 0.465 1159 L N 1.168 122.393 121.223 0.004 0.000 2.455 1159 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 1159 L C 1.448 178.142 176.870 -0.293 0.000 1.174 1159 L CA -0.299 54.270 54.840 -0.451 0.000 0.869 1159 L CB 1.331 42.868 42.059 -0.871 0.000 1.130 1159 L HN -0.046 nan 8.230 nan 0.000 0.474 1160 V N 2.534 122.306 119.914 -0.237 0.000 2.878 1160 V HA 0.225 4.345 4.120 -0.000 0.000 0.250 1160 V C 0.669 176.700 176.094 -0.106 0.000 1.075 1160 V CA 1.034 63.294 62.300 -0.067 0.000 1.096 1160 V CB -0.047 31.811 31.823 0.058 0.000 0.724 1160 V HN 0.850 nan 8.190 nan 0.000 0.467 1161 A N -0.853 121.799 122.820 -0.279 0.000 2.582 1161 A HA 0.883 5.203 4.320 -0.000 0.000 0.297 1161 A C -0.968 176.435 177.584 -0.301 0.000 1.059 1161 A CA 0.199 52.135 52.037 -0.168 0.000 0.705 1161 A CB 1.331 20.328 19.000 -0.004 0.000 1.279 1161 A HN 0.782 nan 8.150 nan 0.000 0.404 1162 A N 0.025 122.717 122.820 -0.213 0.000 2.610 1162 A HA 1.073 5.393 4.320 -0.000 0.000 0.291 1162 A C 0.002 177.308 177.584 -0.463 0.000 1.086 1162 A CA 0.146 51.962 52.037 -0.368 0.000 0.677 1162 A CB 1.021 19.797 19.000 -0.374 0.000 1.278 1162 A HN 2.824 nan 8.150 nan 0.000 0.414 1163 G N -1.276 106.901 108.800 -1.039 0.000 2.336 1163 G HA2 0.668 4.628 3.960 -0.000 0.000 0.286 1163 G HA3 0.668 4.628 3.960 -0.000 0.000 0.286 1163 G C -1.492 172.901 174.900 -0.846 0.000 1.269 1163 G CA 0.451 45.061 45.100 -0.817 0.000 0.873 1163 G HN 2.275 nan 8.290 nan 0.000 0.494 1164 Y N -2.492 117.615 120.300 -0.322 0.000 2.656 1164 Y HA 0.859 5.409 4.550 -0.000 0.000 0.334 1164 Y C -0.292 175.608 175.900 0.001 0.000 1.179 1164 Y CA -1.394 56.644 58.100 -0.103 0.000 1.050 1164 Y CB 1.132 39.511 38.460 -0.135 0.000 1.308 1164 Y HN 1.447 nan 8.280 nan 0.000 0.456 1165 A N 1.954 124.862 122.820 0.147 0.000 2.318 1165 A HA 0.705 5.025 4.320 -0.000 0.000 0.324 1165 A C -1.860 175.528 177.584 -0.327 0.000 1.170 1165 A CA -0.693 51.288 52.037 -0.093 0.000 0.810 1165 A CB 1.190 20.112 19.000 -0.130 0.000 1.198 1165 A HN 0.863 nan 8.150 nan 0.000 0.484 1166 L N 2.986 124.036 121.223 -0.289 0.000 2.280 1166 L HA 0.578 4.918 4.340 -0.000 0.000 0.287 1166 L C -1.461 175.175 176.870 -0.390 0.000 1.023 1166 L CA -0.306 54.329 54.840 -0.343 0.000 0.819 1166 L CB 0.430 42.348 42.059 -0.234 0.000 1.212 1166 L HN 0.567 nan 8.230 nan 0.000 0.420 1167 Y N 5.389 125.707 120.300 0.030 0.000 2.724 1167 Y HA 0.593 5.143 4.550 -0.000 0.000 0.332 1167 Y C 1.002 176.905 175.900 0.004 0.000 1.276 1167 Y CA -0.244 57.870 58.100 0.023 0.000 1.597 1167 Y CB -0.026 38.452 38.460 0.030 0.000 1.584 1167 Y HN 0.707 nan 8.280 nan 0.000 0.478 1168 G N 0.345 109.188 108.800 0.073 0.000 3.019 1168 G HA2 0.183 4.143 3.960 -0.000 0.000 0.152 1168 G HA3 0.183 4.143 3.960 -0.000 0.000 0.152 1168 G C 1.032 175.960 174.900 0.047 0.000 1.320 1168 G CA -0.053 45.071 45.100 0.039 0.000 1.013 1168 G HN 0.393 nan 8.290 nan 0.000 0.593 1169 S N -0.610 115.109 115.700 0.032 0.000 2.400 1169 S HA 0.267 4.737 4.470 -0.000 0.000 0.232 1169 S C 1.065 175.685 174.600 0.033 0.000 1.025 1169 S CA 1.251 59.470 58.200 0.032 0.000 0.993 1169 S CB -0.344 62.874 63.200 0.030 0.000 0.808 1169 S HN 1.229 nan 8.310 nan 0.000 0.478 1170 A N 0.213 123.053 122.820 0.033 0.000 2.437 1170 A HA 0.732 5.052 4.320 -0.000 0.000 0.292 1170 A C -0.489 177.122 177.584 0.046 0.000 1.173 1170 A CA -0.699 51.358 52.037 0.034 0.000 0.785 1170 A CB 1.206 20.221 19.000 0.026 0.000 1.351 1170 A HN 0.153 nan 8.150 nan 0.000 0.431 1171 T N 1.533 116.123 114.554 0.060 0.000 2.771 1171 T HA 0.576 4.926 4.350 -0.000 0.000 0.281 1171 T C -0.475 174.285 174.700 0.102 0.000 0.982 1171 T CA 0.065 62.226 62.100 0.102 0.000 0.978 1171 T CB 0.436 69.416 68.868 0.187 0.000 0.930 1171 T HN 0.604 nan 8.240 nan 0.000 0.447 1172 M N 4.729 124.367 119.600 0.063 0.000 2.327 1172 M HA 0.627 5.106 4.480 -0.000 0.000 0.298 1172 M C -1.880 174.459 176.300 0.064 0.000 1.065 1172 M CA -0.983 54.368 55.300 0.086 0.000 0.916 1172 M CB 1.725 34.290 32.600 -0.057 0.000 1.630 1172 M HN 0.547 nan 8.290 nan 0.000 0.442 1173 L N 5.800 127.094 121.223 0.118 0.000 2.296 1173 L HA 0.692 5.032 4.340 -0.000 0.000 0.286 1173 L C -1.589 175.220 176.870 -0.103 0.000 1.023 1173 L CA -0.648 54.136 54.840 -0.094 0.000 0.812 1173 L CB 1.507 43.305 42.059 -0.435 0.000 1.223 1173 L HN 0.591 nan 8.230 nan 0.000 0.421 1174 V N 6.163 125.870 119.914 -0.346 0.000 2.398 1174 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 1174 V C -0.454 175.450 176.094 -0.317 0.000 1.026 1174 V CA -0.541 61.520 62.300 -0.400 0.000 0.868 1174 V CB 1.588 32.947 31.823 -0.774 0.000 0.982 1174 V HN 0.588 nan 8.190 nan 0.000 0.443 1175 L N 5.304 126.479 121.223 -0.080 0.000 2.349 1175 L HA 0.913 5.253 4.340 -0.000 0.000 0.278 1175 L C -0.017 176.887 176.870 0.056 0.000 0.996 1175 L CA -0.207 54.644 54.840 0.018 0.000 0.825 1175 L CB 1.457 43.568 42.059 0.088 0.000 1.243 1175 L HN 0.702 nan 8.230 nan 0.000 0.412 1176 A N 6.533 129.400 122.820 0.079 0.000 2.304 1176 A HA 0.895 5.215 4.320 -0.000 0.000 0.323 1176 A C -0.527 177.250 177.584 0.322 0.000 1.195 1176 A CA -0.538 51.595 52.037 0.161 0.000 0.826 1176 A CB 0.793 19.886 19.000 0.155 0.000 1.184 1176 A HN 0.829 nan 8.150 nan 0.000 0.496 1177 M N 1.492 121.248 119.600 0.260 0.000 2.812 1177 M HA 0.286 4.766 4.480 -0.000 0.000 0.285 1177 M C 1.131 177.557 176.300 0.210 0.000 1.216 1177 M CA -0.676 54.795 55.300 0.285 0.000 0.749 1177 M CB 1.449 34.168 32.600 0.199 0.000 1.756 1177 M HN 0.421 nan 8.290 nan 0.000 0.439 1178 V N 1.364 121.390 119.914 0.187 0.000 2.469 1178 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 1178 V C 1.260 177.387 176.094 0.055 0.000 1.064 1178 V CA 2.168 64.540 62.300 0.121 0.000 1.066 1178 V CB -0.484 31.402 31.823 0.106 0.000 0.667 1178 V HN 0.708 nan 8.190 nan 0.000 0.461 1179 N N 0.308 119.047 118.700 0.065 0.000 2.336 1179 N HA 0.305 5.045 4.740 -0.000 0.000 0.189 1179 N C 0.459 175.994 175.510 0.042 0.000 1.113 1179 N CA 0.960 54.037 53.050 0.046 0.000 0.858 1179 N CB 0.943 39.461 38.487 0.052 0.000 0.970 1179 N HN 0.687 nan 8.380 nan 0.000 0.471 1180 G N -0.940 107.883 108.800 0.038 0.000 2.362 1180 G HA2 0.086 4.046 3.960 -0.000 0.000 0.288 1180 G HA3 0.086 4.046 3.960 -0.000 0.000 0.288 1180 G C -1.872 173.046 174.900 0.029 0.000 1.305 1180 G CA -0.789 44.320 45.100 0.014 0.000 0.910 1180 G HN -0.089 nan 8.290 nan 0.000 0.518 1181 V N 0.716 120.629 119.914 -0.002 0.000 2.513 1181 V HA 0.696 4.816 4.120 -0.000 0.000 0.299 1181 V C -0.212 175.851 176.094 -0.052 0.000 1.035 1181 V CA -0.854 61.436 62.300 -0.017 0.000 0.889 1181 V CB 1.624 33.422 31.823 -0.041 0.000 0.988 1181 V HN 0.738 nan 8.190 nan 0.000 0.440 1182 N N 1.842 120.492 118.700 -0.084 0.000 2.229 1182 N HA 0.665 5.405 4.740 -0.000 0.000 0.298 1182 N C -1.367 173.960 175.510 -0.305 0.000 1.114 1182 N CA -0.454 52.434 53.050 -0.270 0.000 0.776 1182 N CB 1.910 40.100 38.487 -0.495 0.000 1.501 1182 N HN 0.645 nan 8.380 nan 0.000 0.474 1183 C N 1.627 120.674 119.300 -0.421 0.000 2.322 1183 C HA 0.574 5.034 4.460 -0.000 0.000 0.324 1183 C C -0.957 173.771 174.990 -0.437 0.000 1.284 1183 C CA -0.843 58.022 59.018 -0.255 0.000 1.606 1183 C CB -1.176 26.514 27.740 -0.084 0.000 2.251 1183 C HN 0.582 nan 8.230 nan 0.000 0.502 1184 F N 2.810 122.712 119.950 -0.079 0.000 2.467 1184 F HA 0.560 5.087 4.527 -0.000 0.000 0.336 1184 F C 0.236 176.117 175.800 0.135 0.000 1.123 1184 F CA -0.816 57.189 58.000 0.009 0.000 0.964 1184 F CB 1.241 40.238 39.000 -0.005 0.000 1.136 1184 F HN 0.427 nan 8.300 nan 0.000 0.447 1185 M N 4.144 123.890 119.600 0.243 0.000 2.216 1185 M HA 0.435 4.915 4.480 -0.000 0.000 0.356 1185 M C -1.121 175.260 176.300 0.136 0.000 1.205 1185 M CA -0.736 54.667 55.300 0.172 0.000 1.122 1185 M CB 0.842 33.487 32.600 0.075 0.000 1.571 1185 M HN 0.536 nan 8.290 nan 0.000 0.464 1186 L N 5.102 126.327 121.223 0.005 0.000 2.361 1186 L HA 0.286 4.626 4.340 -0.000 0.000 0.278 1186 L C -0.677 176.090 176.870 -0.172 0.000 1.113 1186 L CA 0.468 55.109 54.840 -0.331 0.000 0.849 1186 L CB 0.258 42.016 42.059 -0.502 0.000 1.155 1186 L HN 0.630 nan 8.230 nan 0.000 0.452 1187 D N 7.536 127.835 120.400 -0.169 0.000 2.441 1187 D HA 0.238 4.878 4.640 -0.000 0.000 0.221 1187 D C -1.853 174.374 176.300 -0.122 0.000 1.156 1187 D CA -1.864 52.076 54.000 -0.100 0.000 0.896 1187 D CB 1.391 42.157 40.800 -0.057 0.000 1.028 1187 D HN 0.422 nan 8.370 nan 0.000 0.509 1188 P HA 0.024 nan 4.420 nan 0.000 0.241 1188 P C 0.879 178.141 177.300 -0.064 0.000 1.191 1188 P CA 0.189 63.232 63.100 -0.094 0.000 0.771 1188 P CB 0.369 32.029 31.700 -0.068 0.000 0.929 1189 A N 0.717 123.507 122.820 -0.051 0.000 2.014 1189 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 1189 A C 1.935 179.498 177.584 -0.036 0.000 1.163 1189 A CA 1.153 53.169 52.037 -0.035 0.000 0.652 1189 A CB -0.998 17.987 19.000 -0.025 0.000 0.808 1189 A HN 0.387 nan 8.150 nan 0.000 0.449 1190 I N -6.307 114.236 120.570 -0.046 0.000 4.338 1190 I HA 0.511 4.681 4.170 -0.000 0.000 0.329 1190 I C 0.936 177.022 176.117 -0.053 0.000 1.378 1190 I CA 0.263 61.540 61.300 -0.038 0.000 1.170 1190 I CB 0.242 38.227 38.000 -0.025 0.000 1.206 1190 I HN 0.260 nan 8.210 nan 0.000 0.432 1191 G N 2.028 110.775 108.800 -0.088 0.000 2.324 1191 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.292 1191 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.292 1191 G C -0.449 174.384 174.900 -0.112 0.000 1.079 1191 G CA 0.509 45.540 45.100 -0.115 0.000 1.026 1191 G HN 0.574 nan 8.290 nan 0.000 0.506 1192 E N -0.977 119.133 120.200 -0.149 0.000 2.263 1192 E HA 0.663 5.013 4.350 -0.000 0.000 0.268 1192 E C -0.450 176.080 176.600 -0.117 0.000 0.884 1192 E CA -0.874 55.485 56.400 -0.070 0.000 0.766 1192 E CB 0.694 30.390 29.700 -0.006 0.000 1.196 1192 E HN 0.117 nan 8.360 nan 0.000 0.416 1193 F N 3.774 123.737 119.950 0.022 0.000 2.420 1193 F HA 0.421 4.948 4.527 -0.000 0.000 0.352 1193 F C 0.325 176.215 175.800 0.151 0.000 1.108 1193 F CA -0.292 57.747 58.000 0.064 0.000 1.162 1193 F CB 0.580 39.579 39.000 -0.002 0.000 1.118 1193 F HN 0.317 nan 8.300 nan 0.000 0.510 1194 I N 4.596 125.356 120.570 0.317 0.000 2.377 1194 I HA 0.212 4.382 4.170 -0.000 0.000 0.293 1194 I C -0.623 175.605 176.117 0.185 0.000 0.987 1194 I CA -1.034 60.404 61.300 0.230 0.000 1.185 1194 I CB 1.594 39.658 38.000 0.106 0.000 1.341 1194 I HN 0.353 nan 8.210 nan 0.000 0.455 1195 L N 8.274 129.556 121.223 0.099 0.000 2.477 1195 L HA 0.121 4.461 4.340 -0.000 0.000 0.272 1195 L C 0.691 177.441 176.870 -0.200 0.000 1.157 1195 L CA 0.610 55.263 54.840 -0.311 0.000 0.889 1195 L CB 0.860 42.728 42.059 -0.317 0.000 1.158 1195 L HN 0.593 nan 8.230 nan 0.000 0.473 1196 V N 0.013 119.780 119.914 -0.245 0.000 3.562 1196 V HA 0.504 4.624 4.120 -0.000 0.000 0.270 1196 V C 0.018 176.030 176.094 -0.136 0.000 1.418 1196 V CA 0.056 62.280 62.300 -0.125 0.000 1.033 1196 V CB 0.207 31.995 31.823 -0.057 0.000 0.820 1196 V HN 0.763 nan 8.190 nan 0.000 0.441 1197 D N 0.633 120.901 120.400 -0.219 0.000 2.763 1197 D HA 0.532 5.172 4.640 -0.000 0.000 0.235 1197 D C -0.733 175.426 176.300 -0.235 0.000 1.334 1197 D CA -0.192 53.705 54.000 -0.171 0.000 0.950 1197 D CB 2.189 42.922 40.800 -0.112 0.000 1.433 1197 D HN 0.256 nan 8.370 nan 0.000 0.580 1198 R N 2.177 122.577 120.500 -0.166 0.000 2.532 1198 R HA 0.353 4.693 4.340 -0.000 0.000 0.295 1198 R C -0.709 175.544 176.300 -0.079 0.000 0.968 1198 R CA -0.444 55.569 56.100 -0.146 0.000 0.916 1198 R CB 0.914 31.160 30.300 -0.090 0.000 1.124 1198 R HN 0.425 nan 8.270 nan 0.000 0.463 1199 D N 2.012 122.379 120.400 -0.056 0.000 2.735 1199 D HA -0.152 4.488 4.640 -0.000 0.000 0.235 1199 D C -0.982 175.298 176.300 -0.033 0.000 1.175 1199 D CA 0.534 54.521 54.000 -0.022 0.000 0.683 1199 D CB -0.424 40.377 40.800 0.002 0.000 1.008 1199 D HN 0.171 nan 8.370 nan 0.000 0.416 1200 V N 1.985 121.870 119.914 -0.049 0.000 2.585 1200 V HA 0.086 4.206 4.120 -0.000 0.000 0.296 1200 V C 0.925 177.000 176.094 -0.031 0.000 1.035 1200 V CA 0.377 62.651 62.300 -0.044 0.000 1.084 1200 V CB 1.239 33.030 31.823 -0.054 0.000 0.953 1200 V HN 0.120 nan 8.190 nan 0.000 0.483 1201 K N 4.702 125.088 120.400 -0.023 0.000 2.324 1201 K HA 0.536 4.856 4.320 -0.000 0.000 0.253 1201 K C -0.447 176.147 176.600 -0.010 0.000 0.932 1201 K CA -0.768 55.509 56.287 -0.016 0.000 0.799 1201 K CB 2.673 35.166 32.500 -0.011 0.000 1.154 1201 K HN 0.601 nan 8.250 nan 0.000 0.425 1202 I N 2.433 122.999 120.570 -0.006 0.000 2.638 1202 I HA 0.034 4.204 4.170 -0.000 0.000 0.286 1202 I C 0.688 176.812 176.117 0.013 0.000 1.088 1202 I CA -0.204 61.099 61.300 0.005 0.000 1.397 1202 I CB 0.663 38.670 38.000 0.012 0.000 1.414 1202 I HN 0.511 nan 8.210 nan 0.000 0.566 1203 K N 6.247 126.659 120.400 0.020 0.000 2.219 1203 K HA 0.185 4.505 4.320 -0.000 0.000 0.258 1203 K C 0.342 176.959 176.600 0.029 0.000 1.008 1203 K CA -0.726 55.572 56.287 0.019 0.000 0.928 1203 K CB 0.702 33.212 32.500 0.016 0.000 0.983 1203 K HN 0.369 nan 8.250 nan 0.000 0.484 1204 K N 0.810 121.226 120.400 0.027 0.000 2.097 1204 K HA -0.054 4.265 4.320 -0.000 0.000 0.206 1204 K C 0.204 176.837 176.600 0.054 0.000 1.049 1204 K CA 1.356 57.665 56.287 0.036 0.000 0.933 1204 K CB -0.134 32.383 32.500 0.030 0.000 0.717 1204 K HN 0.628 nan 8.250 nan 0.000 0.442 1205 K N -0.224 120.208 120.400 0.053 0.000 2.482 1205 K HA 0.392 4.712 4.320 -0.000 0.000 0.251 1205 K C -0.434 176.192 176.600 0.043 0.000 0.936 1205 K CA -0.393 55.940 56.287 0.076 0.000 0.791 1205 K CB 1.986 34.533 32.500 0.078 0.000 1.213 1205 K HN 0.096 nan 8.250 nan 0.000 0.428 1206 G N -0.032 108.802 108.800 0.057 0.000 2.795 1206 G HA2 0.373 4.333 3.960 -0.000 0.000 0.267 1206 G HA3 0.373 4.333 3.960 -0.000 0.000 0.267 1206 G C -0.213 174.484 174.900 -0.338 0.000 1.362 1206 G CA -0.526 44.547 45.100 -0.045 0.000 1.048 1206 G HN 0.554 nan 8.290 nan 0.000 0.547 1207 S N -1.400 114.014 115.700 -0.478 0.000 3.082 1207 S HA 0.444 4.914 4.470 -0.000 0.000 0.253 1207 S C -0.184 174.093 174.600 -0.537 0.000 0.961 1207 S CA -0.311 57.316 58.200 -0.956 0.000 1.129 1207 S CB -0.353 62.555 63.200 -0.488 0.000 1.083 1207 S HN 0.373 nan 8.310 nan 0.000 0.605 1208 I N 2.360 122.836 120.570 -0.156 0.000 2.582 1208 I HA 0.548 4.718 4.170 -0.000 0.000 0.292 1208 I C -1.234 175.129 176.117 0.409 0.000 1.066 1208 I CA -1.287 60.100 61.300 0.145 0.000 1.053 1208 I CB 2.196 40.261 38.000 0.108 0.000 1.241 1208 I HN 0.403 nan 8.210 nan 0.000 0.421 1209 Y N 3.262 123.748 120.300 0.310 0.000 2.409 1209 Y HA 0.785 5.335 4.550 -0.000 0.000 0.343 1209 Y C -0.636 175.396 175.900 0.220 0.000 0.973 1209 Y CA -1.172 57.099 58.100 0.285 0.000 1.064 1209 Y CB 1.855 40.462 38.460 0.244 0.000 1.207 1209 Y HN 0.410 nan 8.280 nan 0.000 0.452 1210 S N 5.475 121.328 115.700 0.255 0.000 2.756 1210 S HA 0.777 5.247 4.470 -0.000 0.000 0.303 1210 S C -1.833 172.857 174.600 0.150 0.000 1.135 1210 S CA -0.387 57.953 58.200 0.233 0.000 1.066 1210 S CB 0.270 63.724 63.200 0.423 0.000 1.008 1210 S HN 0.727 nan 8.310 nan 0.000 0.482 1211 I N 4.076 124.638 120.570 -0.014 0.000 2.882 1211 I HA 0.459 4.629 4.170 -0.000 0.000 0.298 1211 I C -1.341 174.289 176.117 -0.812 0.000 1.462 1211 I CA -0.859 60.226 61.300 -0.357 0.000 1.000 1211 I CB 2.124 40.015 38.000 -0.182 0.000 1.340 1211 I HN 0.668 nan 8.210 nan 0.000 0.462 1212 N N 4.956 123.009 118.700 -1.078 0.000 2.421 1212 N HA 0.133 4.873 4.740 -0.000 0.000 0.260 1212 N C 0.446 175.852 175.510 -0.172 0.000 1.173 1212 N CA 0.362 52.944 53.050 -0.780 0.000 0.960 1212 N CB 0.277 38.478 38.487 -0.476 0.000 1.273 1212 N HN 0.556 nan 8.380 nan 0.000 0.497 1213 E N 1.490 121.628 120.200 -0.104 0.000 2.516 1213 E HA -0.060 4.290 4.350 -0.000 0.000 0.199 1213 E C 1.400 177.919 176.600 -0.135 0.000 1.069 1213 E CA 0.213 56.645 56.400 0.054 0.000 0.876 1213 E CB 0.135 29.891 29.700 0.094 0.000 0.843 1213 E HN 0.703 nan 8.360 nan 0.000 0.530 1214 G N 0.264 108.902 108.800 -0.270 0.000 2.498 1214 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 1214 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 1214 G C 0.891 175.477 174.900 -0.523 0.000 1.119 1214 G CA 0.333 45.201 45.100 -0.386 0.000 0.766 1214 G HN 0.331 nan 8.290 nan 0.000 0.552 1215 Y N 0.467 120.515 120.300 -0.421 0.000 2.470 1215 Y HA 0.393 4.943 4.550 -0.000 0.000 0.284 1215 Y C 2.555 177.732 175.900 -1.205 0.000 1.188 1215 Y CA -0.287 57.413 58.100 -0.668 0.000 1.269 1215 Y CB 0.240 38.353 38.460 -0.578 0.000 1.094 1215 Y HN 0.216 nan 8.280 nan 0.000 0.518 1216 A N 0.872 123.189 122.820 -0.839 0.000 1.997 1216 A HA -0.308 4.012 4.320 -0.000 0.000 0.221 1216 A C 2.252 179.609 177.584 -0.378 0.000 1.172 1216 A CA 2.011 53.676 52.037 -0.619 0.000 0.645 1216 A CB -0.411 18.476 19.000 -0.189 0.000 0.813 1216 A HN 0.469 nan 8.150 nan 0.000 0.454 1217 K N -0.676 119.556 120.400 -0.280 0.000 2.288 1217 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 1217 K C 0.844 177.373 176.600 -0.118 0.000 1.048 1217 K CA 1.300 57.501 56.287 -0.143 0.000 0.956 1217 K CB 0.040 32.481 32.500 -0.099 0.000 0.746 1217 K HN 0.528 nan 8.250 nan 0.000 0.461 1218 E N -0.164 119.924 120.200 -0.186 0.000 2.498 1218 E HA 0.046 4.396 4.350 -0.000 0.000 0.203 1218 E C -0.142 176.476 176.600 0.029 0.000 1.013 1218 E CA -0.136 56.222 56.400 -0.070 0.000 0.927 1218 E CB 0.201 29.877 29.700 -0.041 0.000 1.012 1218 E HN 0.047 nan 8.360 nan 0.000 0.482 1219 F N 3.269 123.219 119.950 0.001 0.000 2.490 1219 F HA 0.049 4.576 4.527 -0.000 0.000 0.336 1219 F C 1.270 177.044 175.800 -0.043 0.000 1.178 1219 F CA -1.451 56.532 58.000 -0.028 0.000 1.301 1219 F CB 0.078 39.053 39.000 -0.041 0.000 1.175 1219 F HN -0.084 nan 8.300 nan 0.000 0.593 1220 D N 1.438 121.928 120.400 0.150 0.000 2.358 1220 D HA 0.208 4.848 4.640 -0.000 0.000 0.244 1220 D C -2.276 173.968 176.300 -0.095 0.000 1.163 1220 D CA -1.676 52.334 54.000 0.017 0.000 0.945 1220 D CB 0.248 41.059 40.800 0.019 0.000 1.152 1220 D HN 0.113 nan 8.370 nan 0.000 0.451 1221 P HA -0.091 nan 4.420 nan 0.000 0.219 1221 P C 0.998 177.925 177.300 -0.621 0.000 1.146 1221 P CA 2.024 64.937 63.100 -0.312 0.000 0.808 1221 P CB 0.009 31.540 31.700 -0.282 0.000 0.779 1222 A N -0.638 121.726 122.820 -0.760 0.000 1.872 1222 A HA -0.125 4.194 4.320 -0.000 0.000 0.214 1222 A C 2.117 179.364 177.584 -0.561 0.000 1.187 1222 A CA 1.263 52.782 52.037 -0.864 0.000 0.614 1222 A CB -1.516 16.680 19.000 -1.338 0.000 0.826 1222 A HN 0.092 nan 8.150 nan 0.000 0.442 1223 I N -0.139 120.131 120.570 -0.500 0.000 2.286 1223 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 1223 I C 2.529 178.519 176.117 -0.212 0.000 1.115 1223 I CA 1.684 62.767 61.300 -0.361 0.000 1.392 1223 I CB -0.569 37.148 38.000 -0.471 0.000 1.065 1223 I HN 0.228 nan 8.210 nan 0.000 0.418 1224 T N -0.189 114.282 114.554 -0.138 0.000 2.708 1224 T HA -0.240 4.110 4.350 -0.000 0.000 0.266 1224 T C 1.855 176.518 174.700 -0.060 0.000 1.037 1224 T CA 1.639 63.723 62.100 -0.027 0.000 1.146 1224 T CB -0.229 68.640 68.868 0.003 0.000 0.865 1224 T HN 0.436 nan 8.240 nan 0.000 0.435 1225 E N -0.354 119.787 120.200 -0.097 0.000 2.051 1225 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 1225 E C 2.032 178.592 176.600 -0.065 0.000 0.991 1225 E CA 0.964 57.331 56.400 -0.056 0.000 0.799 1225 E CB -0.218 29.482 29.700 -0.001 0.000 0.748 1225 E HN 0.590 nan 8.360 nan 0.000 0.449 1226 Y N 1.186 121.362 120.300 -0.206 0.000 2.128 1226 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 1226 Y C 1.996 177.734 175.900 -0.270 0.000 1.154 1226 Y CA 1.982 59.947 58.100 -0.227 0.000 1.149 1226 Y CB -0.251 38.060 38.460 -0.249 0.000 0.976 1226 Y HN 0.050 nan 8.280 nan 0.000 0.505 1227 I N -0.141 120.296 120.570 -0.222 0.000 2.208 1227 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 1227 I C 2.449 178.368 176.117 -0.329 0.000 1.097 1227 I CA 1.273 62.346 61.300 -0.378 0.000 1.363 1227 I CB -0.494 37.402 38.000 -0.174 0.000 1.051 1227 I HN 0.290 nan 8.210 nan 0.000 0.413 1228 Q N 0.565 120.267 119.800 -0.164 0.000 2.135 1228 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 1228 Q C 2.311 178.264 176.000 -0.079 0.000 0.981 1228 Q CA 1.566 57.338 55.803 -0.053 0.000 0.856 1228 Q CB -0.335 28.375 28.738 -0.046 0.000 0.902 1228 Q HN 0.467 nan 8.270 nan 0.000 0.425 1229 R N 0.080 120.444 120.500 -0.227 0.000 2.120 1229 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 1229 R C 1.980 178.045 176.300 -0.391 0.000 1.123 1229 R CA 0.806 56.742 56.100 -0.273 0.000 0.975 1229 R CB 0.190 30.281 30.300 -0.348 0.000 0.866 1229 R HN 0.010 nan 8.270 nan 0.000 0.446 1230 K N 0.568 120.610 120.400 -0.597 0.000 2.103 1230 K HA -0.080 4.240 4.320 -0.000 0.000 0.204 1230 K C 1.799 178.209 176.600 -0.316 0.000 1.052 1230 K CA 1.320 57.217 56.287 -0.649 0.000 0.945 1230 K CB 0.047 31.941 32.500 -1.009 0.000 0.722 1230 K HN 0.176 nan 8.250 nan 0.000 0.443 1231 K N -0.760 119.491 120.400 -0.249 0.000 2.098 1231 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 1231 K C 0.248 176.597 176.600 -0.420 0.000 1.051 1231 K CA 0.707 56.851 56.287 -0.238 0.000 0.957 1231 K CB 0.186 32.614 32.500 -0.120 0.000 0.738 1231 K HN -0.026 nan 8.250 nan 0.000 0.447 1232 F N 1.641 121.529 119.950 -0.103 0.000 2.531 1232 F HA 0.291 4.818 4.527 -0.000 0.000 0.333 1232 F C -2.504 173.241 175.800 -0.092 0.000 1.292 1232 F CA -2.614 55.342 58.000 -0.075 0.000 1.184 1232 F CB 0.949 39.911 39.000 -0.062 0.000 1.426 1232 F HN -0.247 nan 8.300 nan 0.000 0.559 1233 P HA 0.114 nan 4.420 nan 0.000 0.267 1233 P C -2.051 175.257 177.300 0.012 0.000 1.209 1233 P CA -1.105 61.981 63.100 -0.023 0.000 0.763 1233 P CB 0.698 32.377 31.700 -0.034 0.000 0.816 1234 P HA -0.169 nan 4.420 nan 0.000 0.218 1234 P C 0.799 178.103 177.300 0.006 0.000 1.148 1234 P CA 1.446 64.549 63.100 0.005 0.000 0.822 1234 P CB -0.116 31.578 31.700 -0.010 0.000 0.784 1235 D N -2.067 118.335 120.400 0.002 0.000 2.324 1235 D HA -0.054 4.585 4.640 -0.000 0.000 0.235 1235 D C 0.074 176.381 176.300 0.012 0.000 1.095 1235 D CA -0.114 53.891 54.000 0.007 0.000 0.871 1235 D CB -1.214 39.591 40.800 0.008 0.000 0.906 1235 D HN -0.067 nan 8.370 nan 0.000 0.522 1236 N N -0.041 118.667 118.700 0.014 0.000 2.741 1236 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 1236 N C -0.272 175.246 175.510 0.013 0.000 1.115 1236 N CA 1.040 54.100 53.050 0.016 0.000 0.724 1236 N CB -1.954 36.543 38.487 0.016 0.000 1.090 1236 N HN 0.597 nan 8.380 nan 0.000 0.558 1237 S N -1.105 114.605 115.700 0.017 0.000 2.626 1237 S HA 0.628 5.098 4.470 -0.000 0.000 0.257 1237 S C 0.796 175.412 174.600 0.027 0.000 1.288 1237 S CA -0.275 57.940 58.200 0.026 0.000 0.980 1237 S CB 1.160 64.387 63.200 0.045 0.000 0.975 1237 S HN 0.483 nan 8.310 nan 0.000 0.577 1238 A N 1.702 124.544 122.820 0.037 0.000 2.488 1238 A HA 0.526 4.846 4.320 -0.000 0.000 0.249 1238 A C -2.208 175.425 177.584 0.082 0.000 1.083 1238 A CA -1.279 50.779 52.037 0.034 0.000 0.768 1238 A CB -1.056 17.956 19.000 0.020 0.000 1.017 1238 A HN 0.664 nan 8.150 nan 0.000 0.496 1239 P HA 0.138 nan 4.420 nan 0.000 0.269 1239 P C -0.625 176.808 177.300 0.223 0.000 1.209 1239 P CA 0.080 63.227 63.100 0.077 0.000 0.776 1239 P CB 0.155 31.836 31.700 -0.033 0.000 0.876 1240 Y N 0.666 120.982 120.300 0.026 0.000 2.457 1240 Y HA 0.333 4.883 4.550 -0.000 0.000 0.341 1240 Y C 1.757 177.748 175.900 0.151 0.000 1.240 1240 Y CA 0.131 58.299 58.100 0.113 0.000 1.437 1240 Y CB -0.277 38.307 38.460 0.206 0.000 1.328 1240 Y HN 0.417 nan 8.280 nan 0.000 0.588 1241 G N 0.449 109.357 108.800 0.180 0.000 2.572 1241 G HA2 0.520 4.480 3.960 -0.000 0.000 0.261 1241 G HA3 0.520 4.480 3.960 -0.000 0.000 0.261 1241 G C -1.067 173.839 174.900 0.008 0.000 1.197 1241 G CA -0.236 44.919 45.100 0.092 0.000 0.870 1241 G HN 0.808 nan 8.290 nan 0.000 0.548 1242 A N 0.973 123.707 122.820 -0.144 0.000 2.337 1242 A HA 0.893 5.213 4.320 -0.000 0.000 0.329 1242 A C -0.111 177.364 177.584 -0.181 0.000 1.146 1242 A CA -0.749 51.016 52.037 -0.452 0.000 0.800 1242 A CB 1.315 19.973 19.000 -0.569 0.000 1.220 1242 A HN 0.537 nan 8.150 nan 0.000 0.472 1243 R N 0.644 121.067 120.500 -0.128 0.000 2.548 1243 R HA 0.348 4.688 4.340 -0.000 0.000 0.280 1243 R C -2.367 174.028 176.300 0.158 0.000 1.061 1243 R CA -0.397 55.720 56.100 0.028 0.000 0.915 1243 R CB 1.571 31.905 30.300 0.057 0.000 1.210 1243 R HN 0.781 nan 8.270 nan 0.000 0.442 1244 Y N 2.470 122.779 120.300 0.016 0.000 2.422 1244 Y HA 0.149 4.699 4.550 -0.000 0.000 0.344 1244 Y C 0.630 176.577 175.900 0.078 0.000 1.097 1244 Y CA -0.422 57.722 58.100 0.074 0.000 1.307 1244 Y CB 0.824 39.320 38.460 0.060 0.000 1.102 1244 Y HN 0.357 nan 8.280 nan 0.000 0.520 1245 V N 3.123 122.957 119.914 -0.134 0.000 2.407 1245 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 1245 V C 1.866 177.823 176.094 -0.228 0.000 1.055 1245 V CA 2.492 64.714 62.300 -0.129 0.000 1.049 1245 V CB -0.943 30.818 31.823 -0.103 0.000 0.662 1245 V HN 1.187 nan 8.190 nan 0.000 0.455 1246 G N -0.573 107.891 108.800 -0.560 0.000 2.175 1246 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.244 1246 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.244 1246 G C 0.262 175.073 174.900 -0.149 0.000 0.982 1246 G CA 0.212 45.070 45.100 -0.404 0.000 0.641 1246 G HN 0.545 nan 8.290 nan 0.000 0.527 1247 S N 0.325 115.939 115.700 -0.144 0.000 2.456 1247 S HA 0.570 5.040 4.470 -0.000 0.000 0.316 1247 S C 1.118 175.637 174.600 -0.136 0.000 1.089 1247 S CA 0.053 58.204 58.200 -0.082 0.000 1.101 1247 S CB 1.537 64.700 63.200 -0.063 0.000 0.995 1247 S HN 0.373 nan 8.310 nan 0.000 0.468 1248 M N 3.787 123.324 119.600 -0.104 0.000 2.108 1248 M HA -0.088 4.392 4.480 -0.000 0.000 0.261 1248 M C 1.913 177.977 176.300 -0.392 0.000 1.066 1248 M CA 1.937 57.092 55.300 -0.242 0.000 1.107 1248 M CB -0.213 32.320 32.600 -0.110 0.000 1.356 1248 M HN 0.582 nan 8.290 nan 0.000 0.406 1249 V N 0.457 120.185 119.914 -0.311 0.000 2.515 1249 V HA -0.159 3.961 4.120 -0.000 0.000 0.250 1249 V C 2.198 178.044 176.094 -0.414 0.000 1.058 1249 V CA 1.996 64.015 62.300 -0.467 0.000 1.064 1249 V CB -0.723 30.868 31.823 -0.386 0.000 0.675 1249 V HN 0.566 nan 8.190 nan 0.000 0.461 1250 A N -0.631 122.032 122.820 -0.263 0.000 1.898 1250 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 1250 A C 1.999 179.468 177.584 -0.193 0.000 1.183 1250 A CA 1.540 53.468 52.037 -0.182 0.000 0.622 1250 A CB -0.608 18.321 19.000 -0.119 0.000 0.824 1250 A HN 0.604 nan 8.150 nan 0.000 0.444 1251 D N -0.130 120.116 120.400 -0.256 0.000 2.144 1251 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 1251 D C 2.080 178.195 176.300 -0.308 0.000 0.978 1251 D CA 1.347 55.215 54.000 -0.220 0.000 0.833 1251 D CB -0.174 40.544 40.800 -0.137 0.000 0.961 1251 D HN 0.216 nan 8.370 nan 0.000 0.470 1252 V N 0.731 120.334 119.914 -0.517 0.000 2.358 1252 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 1252 V C 2.342 178.293 176.094 -0.240 0.000 1.047 1252 V CA 1.646 63.691 62.300 -0.426 0.000 1.035 1252 V CB -0.562 30.950 31.823 -0.518 0.000 0.658 1252 V HN 0.213 nan 8.190 nan 0.000 0.452 1253 H N 0.577 119.442 119.070 -0.342 0.000 2.352 1253 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 1253 H C 2.469 177.695 175.328 -0.170 0.000 1.097 1253 H CA 2.290 58.238 56.048 -0.166 0.000 1.311 1253 H CB -0.129 29.561 29.762 -0.120 0.000 1.377 1253 H HN 0.215 nan 8.280 nan 0.000 0.504 1254 R N -0.478 119.881 120.500 -0.234 0.000 2.096 1254 R HA -0.128 4.211 4.340 -0.000 0.000 0.235 1254 R C 1.838 177.978 176.300 -0.268 0.000 1.127 1254 R CA 1.874 57.743 56.100 -0.384 0.000 0.968 1254 R CB -0.313 29.823 30.300 -0.273 0.000 0.861 1254 R HN 0.392 nan 8.270 nan 0.000 0.440 1255 T N 1.953 116.429 114.554 -0.131 0.000 2.684 1255 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 1255 T C 1.719 176.391 174.700 -0.045 0.000 1.036 1255 T CA 1.372 63.457 62.100 -0.025 0.000 1.148 1255 T CB -0.297 68.586 68.868 0.026 0.000 0.863 1255 T HN 0.189 nan 8.240 nan 0.000 0.436 1256 L N 1.144 122.305 121.223 -0.103 0.000 2.012 1256 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 1256 L C 2.315 179.120 176.870 -0.109 0.000 1.073 1256 L CA 1.704 56.492 54.840 -0.087 0.000 0.748 1256 L CB -0.563 41.452 42.059 -0.072 0.000 0.891 1256 L HN 0.097 nan 8.230 nan 0.000 0.431 1257 V N -1.835 117.946 119.914 -0.222 0.000 2.725 1257 V HA -0.155 3.965 4.120 -0.000 0.000 0.247 1257 V C 1.828 177.988 176.094 0.111 0.000 1.058 1257 V CA 1.350 63.565 62.300 -0.141 0.000 1.080 1257 V CB -0.466 31.152 31.823 -0.341 0.000 0.713 1257 V HN 0.488 nan 8.190 nan 0.000 0.465 1258 Y N -0.094 120.154 120.300 -0.086 0.000 2.481 1258 Y HA 0.476 5.026 4.550 -0.000 0.000 0.258 1258 Y C 1.490 177.367 175.900 -0.038 0.000 1.103 1258 Y CA 0.059 58.126 58.100 -0.054 0.000 1.287 1258 Y CB 0.950 39.384 38.460 -0.043 0.000 1.108 1258 Y HN 0.403 nan 8.280 nan 0.000 0.529 1259 G N 0.393 109.267 108.800 0.124 0.000 2.712 1259 G HA2 0.208 4.168 3.960 -0.000 0.000 0.683 1259 G HA3 0.208 4.168 3.960 -0.000 0.000 0.683 1259 G C -0.037 174.928 174.900 0.109 0.000 1.320 1259 G CA -0.627 44.525 45.100 0.087 0.000 0.847 1259 G HN 0.963 nan 8.290 nan 0.000 0.553 1260 G N -1.425 107.449 108.800 0.123 0.000 2.472 1260 G HA2 0.435 4.395 3.960 -0.000 0.000 0.205 1260 G HA3 0.435 4.395 3.960 -0.000 0.000 0.205 1260 G C -0.591 174.451 174.900 0.236 0.000 1.270 1260 G CA 0.429 45.646 45.100 0.196 0.000 0.974 1260 G HN 2.358 nan 8.290 nan 0.000 0.542 1261 I N -0.547 120.206 120.570 0.306 0.000 2.828 1261 I HA 0.880 5.050 4.170 -0.000 0.000 0.302 1261 I C -1.228 175.084 176.117 0.325 0.000 1.101 1261 I CA -1.533 59.936 61.300 0.281 0.000 1.031 1261 I CB 1.897 40.058 38.000 0.269 0.000 1.231 1261 I HN 0.917 nan 8.210 nan 0.000 0.427 1262 F N 7.553 127.583 119.950 0.133 0.000 2.507 1262 F HA 0.787 5.314 4.527 -0.000 0.000 0.325 1262 F C -1.475 174.398 175.800 0.122 0.000 1.116 1262 F CA -0.632 57.453 58.000 0.141 0.000 0.930 1262 F CB 1.525 40.593 39.000 0.112 0.000 1.146 1262 F HN 0.320 nan 8.300 nan 0.000 0.447 1263 M N 6.831 126.020 119.600 -0.686 0.000 2.326 1263 M HA 0.320 4.800 4.480 -0.000 0.000 0.292 1263 M C -1.966 173.977 176.300 -0.594 0.000 1.081 1263 M CA -0.702 54.304 55.300 -0.490 0.000 0.919 1263 M CB 2.483 34.909 32.600 -0.289 0.000 1.634 1263 M HN 0.607 nan 8.290 nan 0.000 0.451 1264 Y N 4.258 124.334 120.300 -0.374 0.000 2.628 1264 Y HA 0.425 4.975 4.550 -0.000 0.000 0.354 1264 Y C -2.628 173.215 175.900 -0.096 0.000 1.061 1264 Y CA -2.041 55.957 58.100 -0.170 0.000 1.251 1264 Y CB 1.024 39.463 38.460 -0.034 0.000 1.098 1264 Y HN 0.344 nan 8.280 nan 0.000 0.626 1265 P HA 0.350 nan 4.420 nan 0.000 0.278 1265 P C -0.270 177.098 177.300 0.112 0.000 1.266 1265 P CA -0.298 62.826 63.100 0.039 0.000 0.807 1265 P CB 1.305 32.964 31.700 -0.068 0.000 1.094 1266 A N 1.394 124.260 122.820 0.077 0.000 2.429 1266 A HA 0.306 4.626 4.320 -0.000 0.000 0.242 1266 A C 0.575 178.212 177.584 0.089 0.000 1.088 1266 A CA -0.013 52.068 52.037 0.074 0.000 0.784 1266 A CB -0.514 18.512 19.000 0.043 0.000 1.038 1266 A HN 0.852 nan 8.150 nan 0.000 0.501 1267 N N -1.043 117.693 118.700 0.060 0.000 2.934 1267 N HA 0.226 4.966 4.740 -0.000 0.000 0.253 1267 N C -0.063 175.464 175.510 0.029 0.000 1.466 1267 N CA -0.785 52.306 53.050 0.068 0.000 0.858 1267 N CB 1.025 39.544 38.487 0.052 0.000 1.459 1267 N HN 0.453 nan 8.380 nan 0.000 0.532 1268 K N 0.030 120.447 120.400 0.029 0.000 2.127 1268 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 1268 K C 1.622 178.229 176.600 0.013 0.000 1.047 1268 K CA 1.544 57.843 56.287 0.020 0.000 0.927 1268 K CB -0.050 32.461 32.500 0.017 0.000 0.716 1268 K HN 0.452 nan 8.250 nan 0.000 0.450 1269 K N 0.624 121.027 120.400 0.005 0.000 2.137 1269 K HA 0.007 4.327 4.320 -0.000 0.000 0.202 1269 K C 0.245 176.846 176.600 0.002 0.000 1.052 1269 K CA 0.773 57.066 56.287 0.010 0.000 0.961 1269 K CB 0.362 32.877 32.500 0.025 0.000 0.741 1269 K HN -0.118 nan 8.250 nan 0.000 0.452 1270 S N 3.101 118.793 115.700 -0.014 0.000 2.891 1270 S HA 0.236 4.706 4.470 -0.000 0.000 0.186 1270 S C -2.212 172.391 174.600 0.006 0.000 1.401 1270 S CA -1.257 56.939 58.200 -0.006 0.000 1.035 1270 S CB 1.411 64.604 63.200 -0.011 0.000 1.293 1270 S HN 0.178 nan 8.310 nan 0.000 0.493 1271 P HA -0.052 nan 4.420 nan 0.000 0.225 1271 P C 0.449 177.755 177.300 0.009 0.000 1.148 1271 P CA 0.999 64.106 63.100 0.013 0.000 0.779 1271 P CB 0.086 31.792 31.700 0.010 0.000 0.780 1272 K N -0.924 119.477 120.400 0.002 0.000 2.399 1272 K HA 0.403 4.723 4.320 -0.000 0.000 0.204 1272 K C 0.824 177.418 176.600 -0.010 0.000 1.023 1272 K CA 0.159 56.441 56.287 -0.007 0.000 1.127 1272 K CB 0.410 32.901 32.500 -0.014 0.000 0.856 1272 K HN 0.094 nan 8.250 nan 0.000 0.514 1273 G N 1.878 110.682 108.800 0.007 0.000 2.757 1273 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.638 1273 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.638 1273 G C -0.077 174.776 174.900 -0.079 0.000 1.344 1273 G CA -0.060 45.048 45.100 0.014 0.000 0.855 1273 G HN 0.196 nan 8.290 nan 0.000 0.537 1274 K N -1.068 119.169 120.400 -0.270 0.000 2.367 1274 K HA 0.314 4.634 4.320 -0.000 0.000 0.198 1274 K C 1.284 177.701 176.600 -0.304 0.000 1.132 1274 K CA -0.162 55.913 56.287 -0.355 0.000 0.941 1274 K CB -0.014 32.097 32.500 -0.648 0.000 1.052 1274 K HN 0.506 nan 8.250 nan 0.000 0.507 1275 L N 3.502 124.512 121.223 -0.355 0.000 2.461 1275 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 1275 L C 0.240 177.023 176.870 -0.145 0.000 1.197 1275 L CA -0.471 54.253 54.840 -0.192 0.000 0.836 1275 L CB 0.400 42.391 42.059 -0.114 0.000 1.105 1275 L HN 0.124 nan 8.230 nan 0.000 0.477 1276 R N 2.754 123.156 120.500 -0.164 0.000 2.265 1276 R HA 0.154 4.494 4.340 -0.000 0.000 0.314 1276 R C 0.979 177.083 176.300 -0.327 0.000 1.053 1276 R CA -0.393 55.531 56.100 -0.294 0.000 0.931 1276 R CB 1.195 31.169 30.300 -0.544 0.000 1.024 1276 R HN 0.717 nan 8.270 nan 0.000 0.457 1277 L N 3.011 124.083 121.223 -0.252 0.000 1.989 1277 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 1277 L C 1.878 178.638 176.870 -0.183 0.000 1.071 1277 L CA 1.768 56.508 54.840 -0.165 0.000 0.749 1277 L CB -0.030 41.962 42.059 -0.112 0.000 0.890 1277 L HN 0.610 nan 8.230 nan 0.000 0.431 1278 L N -0.944 120.102 121.223 -0.295 0.000 2.072 1278 L HA -0.197 4.143 4.340 -0.000 0.000 0.205 1278 L C 1.826 178.685 176.870 -0.017 0.000 1.079 1278 L CA 1.366 56.135 54.840 -0.118 0.000 0.752 1278 L CB -0.489 41.543 42.059 -0.045 0.000 0.906 1278 L HN 0.474 nan 8.230 nan 0.000 0.436 1279 Y N -3.559 116.770 120.300 0.048 0.000 2.675 1279 Y HA 0.424 4.974 4.550 -0.000 0.000 0.248 1279 Y C 1.331 177.258 175.900 0.045 0.000 1.161 1279 Y CA -0.665 57.467 58.100 0.053 0.000 1.203 1279 Y CB -0.301 38.178 38.460 0.032 0.000 1.262 1279 Y HN -0.006 nan 8.280 nan 0.000 0.544 1280 E N -0.356 119.820 120.200 -0.041 0.000 3.100 1280 E HA 0.084 4.434 4.350 -0.000 0.000 0.191 1280 E C 1.310 177.907 176.600 -0.005 0.000 1.097 1280 E CA 0.776 57.184 56.400 0.015 0.000 1.339 1280 E CB -0.161 29.536 29.700 -0.005 0.000 1.330 1280 E HN 0.321 nan 8.360 nan 0.000 0.511 1281 C N 1.686 120.966 119.300 -0.033 0.000 2.453 1281 C HA 0.003 4.462 4.460 -0.000 0.000 0.277 1281 C C 2.405 177.410 174.990 0.025 0.000 1.262 1281 C CA 0.487 59.508 59.018 0.005 0.000 1.718 1281 C CB -0.998 26.737 27.740 -0.009 0.000 2.031 1281 C HN 0.428 nan 8.230 nan 0.000 0.480 1282 N N 1.275 119.988 118.700 0.020 0.000 2.043 1282 N HA -0.083 4.657 4.740 -0.000 0.000 0.193 1282 N C -0.599 174.947 175.510 0.060 0.000 1.037 1282 N CA 1.730 54.814 53.050 0.057 0.000 0.851 1282 N CB -1.754 36.783 38.487 0.083 0.000 1.027 1282 N HN 0.328 nan 8.380 nan 0.000 0.422 1283 P HA -0.096 nan 4.420 nan 0.000 0.216 1283 P C 1.481 178.821 177.300 0.067 0.000 1.153 1283 P CA 1.356 64.452 63.100 -0.006 0.000 0.858 1283 P CB 0.023 31.689 31.700 -0.056 0.000 0.789 1284 M N -1.544 118.091 119.600 0.058 0.000 2.254 1284 M HA 0.030 4.510 4.480 -0.000 0.000 0.265 1284 M C 2.085 178.433 176.300 0.079 0.000 1.066 1284 M CA 1.395 56.735 55.300 0.066 0.000 1.123 1284 M CB -1.775 30.825 32.600 -0.001 0.000 1.388 1284 M HN -0.109 nan 8.290 nan 0.000 0.425 1285 A N -0.609 122.262 122.820 0.086 0.000 1.930 1285 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 1285 A C 2.155 179.796 177.584 0.095 0.000 1.175 1285 A CA 1.193 53.280 52.037 0.083 0.000 0.627 1285 A CB -1.009 18.038 19.000 0.080 0.000 0.815 1285 A HN 0.482 nan 8.150 nan 0.000 0.443 1286 Y N 0.492 120.791 120.300 -0.001 0.000 2.133 1286 Y HA -0.185 4.364 4.550 -0.000 0.000 0.287 1286 Y C 2.401 178.295 175.900 -0.010 0.000 1.134 1286 Y CA 2.063 60.156 58.100 -0.011 0.000 1.133 1286 Y CB -0.229 38.207 38.460 -0.039 0.000 0.987 1286 Y HN 0.073 nan 8.280 nan 0.000 0.502 1287 V N 0.275 120.253 119.914 0.108 0.000 2.332 1287 V HA -0.390 3.730 4.120 -0.000 0.000 0.248 1287 V C 2.397 178.478 176.094 -0.021 0.000 1.055 1287 V CA 2.058 64.375 62.300 0.027 0.000 1.038 1287 V CB -0.629 31.261 31.823 0.112 0.000 0.651 1287 V HN 0.476 nan 8.190 nan 0.000 0.450 1288 M N -0.726 118.879 119.600 0.008 0.000 2.132 1288 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 1288 M C 2.228 178.505 176.300 -0.039 0.000 1.065 1288 M CA 1.610 56.910 55.300 -0.000 0.000 1.122 1288 M CB -1.007 31.609 32.600 0.027 0.000 1.365 1288 M HN 0.453 nan 8.290 nan 0.000 0.411 1289 E N -0.152 120.005 120.200 -0.071 0.000 2.106 1289 E HA -0.163 4.186 4.350 -0.000 0.000 0.192 1289 E C 1.817 178.335 176.600 -0.137 0.000 0.984 1289 E CA 0.738 57.083 56.400 -0.091 0.000 0.806 1289 E CB 0.012 29.657 29.700 -0.092 0.000 0.750 1289 E HN 0.284 nan 8.360 nan 0.000 0.458 1290 K N 0.178 120.440 120.400 -0.230 0.000 2.442 1290 K HA -0.023 4.297 4.320 -0.000 0.000 0.198 1290 K C 1.389 177.923 176.600 -0.111 0.000 1.042 1290 K CA 0.549 56.707 56.287 -0.215 0.000 0.958 1290 K CB 0.112 32.418 32.500 -0.324 0.000 0.766 1290 K HN 0.044 nan 8.250 nan 0.000 0.474 1291 A N -0.212 122.560 122.820 -0.080 0.000 2.387 1291 A HA 0.395 4.715 4.320 -0.000 0.000 0.234 1291 A C 1.134 178.700 177.584 -0.030 0.000 1.253 1291 A CA 0.591 52.601 52.037 -0.045 0.000 0.894 1291 A CB 0.013 18.995 19.000 -0.030 0.000 0.963 1291 A HN 0.282 nan 8.150 nan 0.000 0.508 1292 G N -1.831 106.948 108.800 -0.034 0.000 2.132 1292 G HA2 0.016 3.976 3.960 -0.000 0.000 0.234 1292 G HA3 0.016 3.976 3.960 -0.000 0.000 0.234 1292 G C 0.620 175.517 174.900 -0.004 0.000 0.989 1292 G CA 0.279 45.369 45.100 -0.017 0.000 0.676 1292 G HN 1.368 nan 8.290 nan 0.000 0.522 1293 G N -1.193 107.604 108.800 -0.005 0.000 2.887 1293 G HA2 0.831 4.791 3.960 -0.000 0.000 0.277 1293 G HA3 0.831 4.791 3.960 -0.000 0.000 0.277 1293 G C -0.391 174.516 174.900 0.011 0.000 1.346 1293 G CA -1.069 44.039 45.100 0.013 0.000 1.058 1293 G HN 0.661 nan 8.290 nan 0.000 0.535 1294 L N -0.710 120.528 121.223 0.024 0.000 2.323 1294 L HA 0.773 5.113 4.340 -0.000 0.000 0.265 1294 L C -0.224 176.665 176.870 0.032 0.000 1.012 1294 L CA -1.159 53.694 54.840 0.022 0.000 0.820 1294 L CB 2.481 44.552 42.059 0.020 0.000 1.334 1294 L HN 0.642 nan 8.230 nan 0.000 0.427 1295 A N 0.814 123.650 122.820 0.027 0.000 2.499 1295 A HA 0.644 4.964 4.320 -0.000 0.000 0.280 1295 A C -0.709 176.885 177.584 0.018 0.000 1.135 1295 A CA -0.362 51.697 52.037 0.037 0.000 0.744 1295 A CB 1.606 20.635 19.000 0.049 0.000 1.213 1295 A HN 0.576 nan 8.150 nan 0.000 0.434 1296 T N 0.205 114.761 114.554 0.003 0.000 2.916 1296 T HA 0.545 4.895 4.350 -0.000 0.000 0.292 1296 T C 1.357 176.026 174.700 -0.051 0.000 1.055 1296 T CA 0.470 62.551 62.100 -0.031 0.000 1.009 1296 T CB 1.452 70.288 68.868 -0.053 0.000 1.118 1296 T HN 1.102 nan 8.240 nan 0.000 0.497 1297 T N -0.078 114.425 114.554 -0.084 0.000 3.067 1297 T HA 0.344 4.693 4.350 -0.000 0.000 0.261 1297 T C 1.597 176.153 174.700 -0.240 0.000 1.110 1297 T CA 1.212 63.244 62.100 -0.114 0.000 1.113 1297 T CB -0.206 68.600 68.868 -0.104 0.000 0.917 1297 T HN 1.487 nan 8.240 nan 0.000 0.499 1298 G N 1.223 109.839 108.800 -0.308 0.000 2.316 1298 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.203 1298 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.203 1298 G C 0.747 175.350 174.900 -0.495 0.000 0.999 1298 G CA 0.127 44.848 45.100 -0.632 0.000 0.649 1298 G HN 0.546 nan 8.290 nan 0.000 0.489 1299 K N 0.552 120.774 120.400 -0.298 0.000 2.477 1299 K HA 0.402 4.722 4.320 -0.000 0.000 0.208 1299 K C 0.188 176.725 176.600 -0.105 0.000 1.117 1299 K CA 0.636 56.816 56.287 -0.180 0.000 1.039 1299 K CB 1.057 33.463 32.500 -0.156 0.000 0.937 1299 K HN 0.701 nan 8.250 nan 0.000 0.570 1300 E N -0.583 119.560 120.200 -0.095 0.000 2.393 1300 E HA 0.399 4.749 4.350 -0.000 0.000 0.282 1300 E C -1.559 175.016 176.600 -0.042 0.000 1.096 1300 E CA -1.095 55.272 56.400 -0.055 0.000 0.866 1300 E CB 0.630 30.303 29.700 -0.045 0.000 1.232 1300 E HN -0.028 nan 8.360 nan 0.000 0.431 1301 A N 1.998 124.806 122.820 -0.021 0.000 2.520 1301 A HA 0.272 4.592 4.320 -0.000 0.000 0.245 1301 A C 1.172 178.757 177.584 0.002 0.000 1.072 1301 A CA -0.146 51.888 52.037 -0.005 0.000 0.761 1301 A CB 0.550 19.554 19.000 0.007 0.000 1.004 1301 A HN 0.551 nan 8.150 nan 0.000 0.499 1302 V N 3.428 123.348 119.914 0.010 0.000 2.332 1302 V HA -0.266 3.853 4.120 -0.000 0.000 0.248 1302 V C 2.331 178.445 176.094 0.033 0.000 1.055 1302 V CA 2.299 64.609 62.300 0.017 0.000 1.038 1302 V CB -0.812 31.028 31.823 0.028 0.000 0.651 1302 V HN 0.845 nan 8.190 nan 0.000 0.450 1303 L N -0.364 120.890 121.223 0.051 0.000 2.362 1303 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 1303 L C 1.858 178.766 176.870 0.063 0.000 1.134 1303 L CA 1.042 55.929 54.840 0.078 0.000 0.807 1303 L CB -0.465 41.656 42.059 0.103 0.000 0.927 1303 L HN 0.370 nan 8.230 nan 0.000 0.447 1304 D N -0.113 120.309 120.400 0.038 0.000 2.354 1304 D HA 0.154 4.794 4.640 -0.000 0.000 0.209 1304 D C 0.890 177.198 176.300 0.013 0.000 1.015 1304 D CA 0.195 54.211 54.000 0.027 0.000 0.867 1304 D CB 0.376 41.186 40.800 0.017 0.000 0.933 1304 D HN 0.218 nan 8.370 nan 0.000 0.520 1305 I N 1.638 122.213 120.570 0.008 0.000 2.741 1305 I HA -0.104 4.066 4.170 -0.000 0.000 0.288 1305 I C 0.284 176.397 176.117 -0.007 0.000 1.192 1305 I CA 0.022 61.319 61.300 -0.005 0.000 1.426 1305 I CB 0.843 38.836 38.000 -0.011 0.000 1.367 1305 I HN -0.331 nan 8.210 nan 0.000 0.563 1306 V N 9.027 128.932 119.914 -0.016 0.000 2.372 1306 V HA 0.171 4.291 4.120 -0.000 0.000 0.261 1306 V C -1.885 174.188 176.094 -0.035 0.000 1.055 1306 V CA -1.505 60.779 62.300 -0.026 0.000 0.930 1306 V CB 0.125 31.933 31.823 -0.025 0.000 1.031 1306 V HN 0.610 nan 8.190 nan 0.000 0.479 1307 P HA 0.202 nan 4.420 nan 0.000 0.269 1307 P C 0.794 178.062 177.300 -0.053 0.000 1.215 1307 P CA -0.013 63.055 63.100 -0.054 0.000 0.780 1307 P CB 0.648 32.306 31.700 -0.071 0.000 0.898 1308 T N -3.064 111.462 114.554 -0.047 0.000 2.975 1308 T HA 0.246 4.596 4.350 -0.000 0.000 0.261 1308 T C -0.109 174.567 174.700 -0.041 0.000 0.984 1308 T CA -0.014 62.062 62.100 -0.040 0.000 0.911 1308 T CB -0.100 68.750 68.868 -0.029 0.000 1.127 1308 T HN 0.384 nan 8.240 nan 0.000 0.514 1309 D N 0.592 120.965 120.400 -0.046 0.000 2.857 1309 D HA 0.402 5.042 4.640 -0.000 0.000 0.227 1309 D C 1.280 177.531 176.300 -0.082 0.000 1.192 1309 D CA -0.858 53.114 54.000 -0.047 0.000 0.857 1309 D CB 1.497 42.288 40.800 -0.014 0.000 1.645 1309 D HN 0.001 nan 8.370 nan 0.000 0.482 1310 I N 1.195 121.682 120.570 -0.139 0.000 2.614 1310 I HA -0.055 4.115 4.170 -0.000 0.000 0.258 1310 I C 0.315 176.272 176.117 -0.268 0.000 1.189 1310 I CA 1.609 62.776 61.300 -0.223 0.000 1.462 1310 I CB -1.366 36.453 38.000 -0.301 0.000 1.092 1310 I HN 0.473 nan 8.210 nan 0.000 0.442 1311 H N 1.039 120.131 119.070 0.038 0.000 2.507 1311 H HA 0.312 4.868 4.556 -0.000 0.000 0.294 1311 H C 0.729 176.035 175.328 -0.037 0.000 1.064 1311 H CA -0.376 55.696 56.048 0.040 0.000 1.138 1311 H CB 0.136 29.943 29.762 0.075 0.000 1.515 1311 H HN 0.474 nan 8.280 nan 0.000 0.547 1312 Q N 1.847 121.650 119.800 0.004 0.000 2.386 1312 Q HA 0.052 4.392 4.340 -0.000 0.000 0.282 1312 Q C -0.321 175.641 176.000 -0.063 0.000 1.050 1312 Q CA 0.084 55.871 55.803 -0.027 0.000 0.918 1312 Q CB 0.737 29.447 28.738 -0.046 0.000 1.266 1312 Q HN 0.451 nan 8.270 nan 0.000 0.423 1313 R N 1.081 121.550 120.500 -0.051 0.000 2.668 1313 R HA 0.788 5.128 4.340 -0.000 0.000 0.279 1313 R C -1.220 175.043 176.300 -0.060 0.000 0.976 1313 R CA -0.496 55.563 56.100 -0.069 0.000 0.978 1313 R CB 1.925 32.189 30.300 -0.059 0.000 1.133 1313 R HN 0.677 nan 8.270 nan 0.000 0.484 1314 A N 2.501 125.283 122.820 -0.064 0.000 2.549 1314 A HA 0.606 4.926 4.320 -0.000 0.000 0.297 1314 A C -2.681 174.887 177.584 -0.026 0.000 1.061 1314 A CA -1.805 50.206 52.037 -0.042 0.000 0.690 1314 A CB 1.566 20.543 19.000 -0.040 0.000 1.287 1314 A HN 0.414 nan 8.150 nan 0.000 0.402 1315 P HA 0.510 nan 4.420 nan 0.000 0.272 1315 P C -0.873 176.439 177.300 0.021 0.000 1.223 1315 P CA 0.017 63.128 63.100 0.019 0.000 0.784 1315 P CB 0.826 32.526 31.700 -0.000 0.000 0.923 1316 I N 1.946 122.552 120.570 0.060 0.000 2.752 1316 I HA 0.420 4.590 4.170 -0.000 0.000 0.295 1316 I C -1.837 174.319 176.117 0.065 0.000 1.219 1316 I CA -1.377 59.965 61.300 0.071 0.000 1.030 1316 I CB 1.694 39.768 38.000 0.123 0.000 1.259 1316 I HN 0.095 nan 8.210 nan 0.000 0.423 1317 I N 8.215 128.814 120.570 0.047 0.000 2.468 1317 I HA 0.533 4.703 4.170 -0.000 0.000 0.285 1317 I C -1.026 175.138 176.117 0.079 0.000 1.039 1317 I CA -0.538 60.779 61.300 0.029 0.000 1.074 1317 I CB 1.314 39.294 38.000 -0.032 0.000 1.228 1317 I HN 0.523 nan 8.210 nan 0.000 0.436 1318 L N 3.806 125.118 121.223 0.149 0.000 2.409 1318 L HA 1.142 5.482 4.340 -0.000 0.000 0.255 1318 L C -0.030 176.927 176.870 0.145 0.000 1.027 1318 L CA -0.370 54.554 54.840 0.139 0.000 0.834 1318 L CB 1.898 44.052 42.059 0.159 0.000 1.426 1318 L HN 0.780 nan 8.230 nan 0.000 0.411 1319 G N -0.657 108.205 108.800 0.103 0.000 2.260 1319 G HA2 0.154 4.114 3.960 -0.000 0.000 0.250 1319 G HA3 0.154 4.114 3.960 -0.000 0.000 0.250 1319 G C -1.105 173.845 174.900 0.083 0.000 1.340 1319 G CA -0.431 44.732 45.100 0.105 0.000 1.056 1319 G HN 0.820 nan 8.290 nan 0.000 0.471 1320 S N 3.086 118.844 115.700 0.096 0.000 2.563 1320 S HA 0.287 4.757 4.470 -0.000 0.000 0.294 1320 S C -0.632 174.015 174.600 0.078 0.000 1.279 1320 S CA 0.253 58.503 58.200 0.084 0.000 1.069 1320 S CB 1.475 64.737 63.200 0.104 0.000 0.828 1320 S HN 0.534 nan 8.310 nan 0.000 0.497 1321 P HA -0.169 nan 4.420 nan 0.000 0.215 1321 P C 0.999 178.335 177.300 0.059 0.000 1.157 1321 P CA 1.285 64.414 63.100 0.048 0.000 0.868 1321 P CB 0.158 31.879 31.700 0.035 0.000 0.788 1322 E N -0.258 119.985 120.200 0.071 0.000 2.110 1322 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 1322 E C 1.757 178.427 176.600 0.116 0.000 0.988 1322 E CA 0.966 57.417 56.400 0.085 0.000 0.804 1322 E CB -0.383 29.371 29.700 0.089 0.000 0.745 1322 E HN 0.346 nan 8.360 nan 0.000 0.458 1323 D N 0.377 120.866 120.400 0.147 0.000 2.123 1323 D HA -0.091 4.548 4.640 -0.000 0.000 0.200 1323 D C 2.124 178.486 176.300 0.102 0.000 0.976 1323 D CA 0.720 54.842 54.000 0.203 0.000 0.831 1323 D CB 0.032 41.005 40.800 0.289 0.000 0.974 1323 D HN 0.030 nan 8.370 nan 0.000 0.469 1324 V N 1.195 121.144 119.914 0.057 0.000 2.427 1324 V HA -0.174 3.945 4.120 -0.000 0.000 0.248 1324 V C 2.494 178.585 176.094 -0.005 0.000 1.051 1324 V CA 1.605 63.901 62.300 -0.006 0.000 1.048 1324 V CB -0.631 31.201 31.823 0.015 0.000 0.666 1324 V HN 0.192 nan 8.190 nan 0.000 0.456 1325 T N -0.412 114.160 114.554 0.029 0.000 2.788 1325 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 1325 T C 1.851 176.576 174.700 0.041 0.000 1.044 1325 T CA 1.805 63.925 62.100 0.033 0.000 1.139 1325 T CB -0.180 68.713 68.868 0.040 0.000 0.867 1325 T HN 0.667 nan 8.240 nan 0.000 0.454 1326 E N 0.509 120.746 120.200 0.063 0.000 2.058 1326 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 1326 E C 2.156 178.794 176.600 0.064 0.000 0.997 1326 E CA 1.020 57.478 56.400 0.096 0.000 0.801 1326 E CB -0.220 29.588 29.700 0.181 0.000 0.746 1326 E HN 0.301 nan 8.360 nan 0.000 0.450 1327 L N 0.812 121.985 121.223 -0.083 0.000 2.093 1327 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 1327 L C 2.117 178.998 176.870 0.018 0.000 1.085 1327 L CA 1.414 56.125 54.840 -0.215 0.000 0.755 1327 L CB -0.330 41.389 42.059 -0.567 0.000 0.904 1327 L HN 0.250 nan 8.230 nan 0.000 0.435 1328 L N -0.781 120.478 121.223 0.060 0.000 2.046 1328 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 1328 L C 2.490 179.434 176.870 0.124 0.000 1.077 1328 L CA 1.430 56.347 54.840 0.128 0.000 0.747 1328 L CB -0.475 41.616 42.059 0.052 0.000 0.896 1328 L HN 0.327 nan 8.230 nan 0.000 0.432 1329 E N -0.034 120.213 120.200 0.079 0.000 2.118 1329 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 1329 E C 2.057 178.709 176.600 0.085 0.000 0.992 1329 E CA 1.196 57.639 56.400 0.072 0.000 0.804 1329 E CB -0.028 29.705 29.700 0.055 0.000 0.741 1329 E HN 0.323 nan 8.360 nan 0.000 0.458 1330 I N -0.059 120.556 120.570 0.076 0.000 2.394 1330 I HA -0.223 3.947 4.170 -0.000 0.000 0.251 1330 I C 1.776 177.946 176.117 0.088 0.000 1.136 1330 I CA 1.267 62.611 61.300 0.074 0.000 1.425 1330 I CB -0.664 37.342 38.000 0.009 0.000 1.079 1330 I HN 0.126 nan 8.210 nan 0.000 0.425 1331 Y N 1.202 121.525 120.300 0.037 0.000 2.242 1331 Y HA -0.242 4.308 4.550 -0.000 0.000 0.291 1331 Y C 2.602 178.540 175.900 0.065 0.000 1.137 1331 Y CA 1.524 59.641 58.100 0.028 0.000 1.181 1331 Y CB -0.561 37.886 38.460 -0.023 0.000 0.989 1331 Y HN 0.326 nan 8.280 nan 0.000 0.527 1332 Q N 0.224 120.144 119.800 0.200 0.000 2.046 1332 Q HA -0.223 4.117 4.340 -0.000 0.000 0.200 1332 Q C 2.147 178.205 176.000 0.096 0.000 0.975 1332 Q CA 1.674 57.551 55.803 0.122 0.000 0.836 1332 Q CB -0.401 28.384 28.738 0.078 0.000 0.896 1332 Q HN 0.392 nan 8.270 nan 0.000 0.428 1333 K N 1.050 121.501 120.400 0.086 0.000 2.089 1333 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 1333 K C 1.043 177.619 176.600 -0.040 0.000 1.048 1333 K CA 1.399 57.694 56.287 0.013 0.000 0.926 1333 K CB -0.119 32.383 32.500 0.003 0.000 0.714 1333 K HN 0.365 nan 8.250 nan 0.000 0.448 1334 H N 0.781 119.855 119.070 0.007 0.000 2.842 1334 H HA 0.213 4.769 4.556 -0.000 0.000 0.312 1334 H C 0.541 175.888 175.328 0.032 0.000 1.137 1334 H CA 0.114 56.166 56.048 0.007 0.000 1.176 1334 H CB -0.437 29.315 29.762 -0.017 0.000 1.361 1334 H HN 0.464 nan 8.280 nan 0.000 0.557 1335 A N 0.000 122.873 122.820 0.088 0.000 2.254 1335 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1335 A CA 0.000 52.080 52.037 0.071 0.000 0.836 1335 A CB 0.000 19.032 19.000 0.053 0.000 0.831 1335 A HN 0.000 nan 8.150 nan 0.000 0.486