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 1fx4_1_A DATA FIRST_RESID 876 DATA SEQUENCE DNDSAPKEPT GPVTLIFTDI ESSTALWAAH PDLMPDAVAT HHRLIRSLIT DATA SEQUENCE RYECYEVKTV GDSFMIASKS PFAAVQLAQE LQLCFLRLDW ETNAVDESYR DATA SEQUENCE EFEEQRAEGE CEYTPPTASL DPEVYSRLWN GLRVRVGIHT GLCDIRYDEV DATA SEQUENCE TKGYDYYGRT SNMAARTESV ANGGQVLMTH AAYMSLSGED RNQLDVTTLG DATA SEQUENCE ATVLRGVPEP VRMYQLNAVP GRNFAALRLD R 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 876 D HA 0.000 nan 4.640 nan 0.000 0.175 876 D C 0.000 176.475 176.300 0.292 0.000 2.045 876 D CA 0.000 54.109 54.000 0.182 0.000 0.868 876 D CB 0.000 40.898 40.800 0.164 0.000 0.688 877 N N 0.569 119.407 118.700 0.230 0.000 2.159 877 N HA 0.026 4.768 4.740 0.003 0.000 0.217 877 N C 0.811 176.309 175.510 -0.021 0.000 1.223 877 N CA 0.085 53.237 53.050 0.170 0.000 0.896 877 N CB 0.901 39.554 38.487 0.277 0.000 1.064 877 N HN 0.104 nan 8.380 nan 0.000 0.518 878 D N 1.415 121.830 120.400 0.026 0.000 2.221 878 D HA -0.109 4.533 4.640 0.003 0.000 0.204 878 D C 1.608 177.869 176.300 -0.065 0.000 0.982 878 D CA 1.315 55.300 54.000 -0.024 0.000 0.857 878 D CB 0.152 40.957 40.800 0.008 0.000 0.934 878 D HN 0.187 nan 8.370 nan 0.000 0.475 879 S N -1.073 114.614 115.700 -0.022 0.000 2.593 879 S HA 0.325 4.796 4.470 0.003 0.000 0.217 879 S C 0.895 175.423 174.600 -0.119 0.000 0.966 879 S CA -0.057 58.135 58.200 -0.014 0.000 0.914 879 S CB -0.014 63.242 63.200 0.093 0.000 0.776 879 S HN 0.341 nan 8.310 nan 0.000 0.523 880 A N 2.983 125.559 122.820 -0.406 0.000 2.409 880 A HA 0.577 4.899 4.320 0.003 0.000 0.267 880 A C -2.676 174.637 177.584 -0.452 0.000 1.127 880 A CA -1.652 49.963 52.037 -0.703 0.000 0.795 880 A CB -0.175 17.955 19.000 -1.451 0.000 1.061 880 A HN 0.233 nan 8.150 nan 0.000 0.502 881 P HA 0.130 nan 4.420 nan 0.000 0.267 881 P C -0.047 177.157 177.300 -0.160 0.000 1.209 881 P CA 0.373 63.390 63.100 -0.139 0.000 0.763 881 P CB 0.509 32.152 31.700 -0.095 0.000 0.816 882 K N 1.347 121.618 120.400 -0.215 0.000 2.438 882 K HA 0.132 4.454 4.320 0.003 0.000 0.206 882 K C -0.019 176.558 176.600 -0.038 0.000 1.081 882 K CA 0.066 56.218 56.287 -0.226 0.000 1.053 882 K CB 0.845 33.143 32.500 -0.336 0.000 0.908 882 K HN 0.497 nan 8.250 nan 0.000 0.556 883 E N 2.551 122.743 120.200 -0.015 0.000 2.109 883 E HA 0.097 4.448 4.350 0.003 0.000 0.278 883 E C -1.969 174.658 176.600 0.044 0.000 0.954 883 E CA -2.116 54.291 56.400 0.012 0.000 0.779 883 E CB 1.302 30.998 29.700 -0.006 0.000 1.093 883 E HN -0.100 nan 8.360 nan 0.000 0.401 884 P HA -0.209 nan 4.420 nan 0.000 0.219 884 P C 1.192 178.524 177.300 0.053 0.000 1.146 884 P CA 1.358 64.499 63.100 0.069 0.000 0.808 884 P CB 0.064 31.802 31.700 0.064 0.000 0.779 885 T N -4.105 110.469 114.554 0.034 0.000 3.067 885 T HA 0.162 4.514 4.350 0.003 0.000 0.257 885 T C 1.252 175.962 174.700 0.016 0.000 1.105 885 T CA 0.183 62.298 62.100 0.024 0.000 1.104 885 T CB -0.722 68.156 68.868 0.015 0.000 0.925 885 T HN 0.068 nan 8.240 nan 0.000 0.498 886 G N 2.953 111.761 108.800 0.014 0.000 2.333 886 G HA2 0.539 4.501 3.960 0.003 0.000 0.290 886 G HA3 0.539 4.501 3.960 0.003 0.000 0.290 886 G C -2.868 172.032 174.900 -0.001 0.000 1.150 886 G CA -1.378 43.722 45.100 -0.000 0.000 0.895 886 G HN 0.145 nan 8.290 nan 0.000 0.444 887 P HA 0.170 nan 4.420 nan 0.000 0.266 887 P C -0.290 176.979 177.300 -0.052 0.000 1.195 887 P CA -0.160 62.922 63.100 -0.030 0.000 0.768 887 P CB 1.174 32.847 31.700 -0.045 0.000 0.838 888 V N 3.125 122.997 119.914 -0.069 0.000 2.628 888 V HA 0.378 4.500 4.120 0.003 0.000 0.306 888 V C 0.165 176.174 176.094 -0.142 0.000 1.045 888 V CA -0.336 61.890 62.300 -0.123 0.000 0.905 888 V CB 2.156 33.874 31.823 -0.174 0.000 0.997 888 V HN 0.438 nan 8.190 nan 0.000 0.436 889 T N 5.966 120.433 114.554 -0.145 0.000 2.758 889 T HA 0.632 4.983 4.350 0.003 0.000 0.285 889 T C -0.405 174.220 174.700 -0.125 0.000 0.981 889 T CA -0.196 61.833 62.100 -0.118 0.000 0.965 889 T CB 0.516 69.332 68.868 -0.087 0.000 0.927 889 T HN 0.331 nan 8.240 nan 0.000 0.448 890 L N 4.195 125.378 121.223 -0.067 0.000 2.325 890 L HA 0.651 4.993 4.340 0.003 0.000 0.278 890 L C -0.449 176.426 176.870 0.008 0.000 1.023 890 L CA -0.988 53.817 54.840 -0.058 0.000 0.811 890 L CB 1.577 43.666 42.059 0.049 0.000 1.249 890 L HN 0.506 nan 8.230 nan 0.000 0.431 891 I N 2.160 122.678 120.570 -0.087 0.000 2.436 891 I HA 0.380 4.551 4.170 0.003 0.000 0.289 891 I C -1.014 175.036 176.117 -0.112 0.000 1.010 891 I CA -0.261 61.020 61.300 -0.033 0.000 1.098 891 I CB 1.771 39.726 38.000 -0.075 0.000 1.266 891 I HN 0.312 nan 8.210 nan 0.000 0.434 892 F N 3.530 123.499 119.950 0.031 0.000 2.469 892 F HA 0.598 5.127 4.527 0.003 0.000 0.332 892 F C 0.548 176.381 175.800 0.055 0.000 1.103 892 F CA -0.397 57.636 58.000 0.054 0.000 0.979 892 F CB 2.321 41.349 39.000 0.047 0.000 1.137 892 F HN 0.392 nan 8.300 nan 0.000 0.463 893 T N -0.551 114.155 114.554 0.255 0.000 2.906 893 T HA 0.718 5.070 4.350 0.003 0.000 0.295 893 T C -1.615 173.237 174.700 0.253 0.000 1.075 893 T CA -0.672 61.549 62.100 0.201 0.000 1.005 893 T CB 2.428 71.388 68.868 0.154 0.000 1.136 893 T HN 0.465 nan 8.240 nan 0.000 0.498 894 D N 0.082 120.610 120.400 0.213 0.000 2.654 894 D HA 0.370 5.011 4.640 0.003 0.000 0.231 894 D C -0.979 175.438 176.300 0.194 0.000 1.239 894 D CA -0.643 53.487 54.000 0.216 0.000 0.790 894 D CB 2.093 42.992 40.800 0.165 0.000 1.480 894 D HN 0.719 nan 8.370 nan 0.000 0.442 895 I N 1.854 122.534 120.570 0.184 0.000 2.352 895 I HA 0.131 4.303 4.170 0.003 0.000 0.290 895 I C 0.966 177.193 176.117 0.183 0.000 1.036 895 I CA -0.336 61.064 61.300 0.167 0.000 1.336 895 I CB 0.914 38.974 38.000 0.099 0.000 1.407 895 I HN 0.270 nan 8.210 nan 0.000 0.497 896 E N 4.933 125.264 120.200 0.218 0.000 2.376 896 E HA 0.012 4.363 4.350 0.003 0.000 0.266 896 E C 0.306 177.100 176.600 0.324 0.000 1.009 896 E CA 0.141 56.688 56.400 0.246 0.000 0.902 896 E CB 0.517 30.362 29.700 0.242 0.000 0.972 896 E HN 0.723 nan 8.360 nan 0.000 0.439 897 S N 1.667 117.481 115.700 0.190 0.000 3.587 897 S HA -0.249 4.223 4.470 0.003 0.000 0.337 897 S C 1.120 175.762 174.600 0.069 0.000 1.119 897 S CA 0.819 59.064 58.200 0.076 0.000 0.976 897 S CB -1.826 61.444 63.200 0.117 0.000 0.922 897 S HN 0.780 nan 8.310 nan 0.000 0.503 898 S N 0.203 115.977 115.700 0.124 0.000 2.382 898 S HA -0.162 4.310 4.470 0.003 0.000 0.228 898 S C 1.805 176.556 174.600 0.252 0.000 1.027 898 S CA 1.554 59.851 58.200 0.162 0.000 0.991 898 S CB -0.723 62.612 63.200 0.225 0.000 0.823 898 S HN 0.593 nan 8.310 nan 0.000 0.469 899 T N 2.824 117.480 114.554 0.171 0.000 2.684 899 T HA 0.025 4.377 4.350 0.003 0.000 0.267 899 T C 2.220 176.975 174.700 0.091 0.000 1.036 899 T CA 1.585 63.771 62.100 0.144 0.000 1.148 899 T CB -0.889 67.999 68.868 0.033 0.000 0.863 899 T HN 0.654 nan 8.240 nan 0.000 0.436 900 A N 0.910 123.697 122.820 -0.054 0.000 1.969 900 A HA 0.063 4.384 4.320 0.003 0.000 0.218 900 A C 2.297 179.905 177.584 0.041 0.000 1.169 900 A CA 1.051 53.001 52.037 -0.146 0.000 0.635 900 A CB -0.742 17.874 19.000 -0.639 0.000 0.810 900 A HN 0.479 nan 8.150 nan 0.000 0.445 901 L N -2.875 118.399 121.223 0.084 0.000 2.093 901 L HA -0.174 4.168 4.340 0.003 0.000 0.208 901 L C 2.537 179.418 176.870 0.019 0.000 1.085 901 L CA 1.079 55.962 54.840 0.071 0.000 0.755 901 L CB -0.477 41.554 42.059 -0.047 0.000 0.904 901 L HN 0.596 nan 8.230 nan 0.000 0.435 902 W N -0.076 121.234 121.300 0.015 0.000 2.363 902 W HA -0.181 4.480 4.660 0.002 0.000 0.296 902 W C 2.665 179.172 176.519 -0.020 0.000 1.212 902 W CA 1.168 58.518 57.345 0.009 0.000 1.260 902 W CB -0.146 29.313 29.460 -0.001 0.000 1.131 902 W HN 0.105 nan 8.180 nan 0.000 0.530 903 A N -0.099 122.833 122.820 0.188 0.000 1.898 903 A HA -0.015 4.307 4.320 0.003 0.000 0.216 903 A C 1.992 179.561 177.584 -0.024 0.000 1.181 903 A CA 2.017 54.097 52.037 0.072 0.000 0.620 903 A CB -1.175 17.841 19.000 0.027 0.000 0.819 903 A HN 0.172 nan 8.150 nan 0.000 0.442 904 A N -1.798 120.944 122.820 -0.131 0.000 2.016 904 A HA 0.050 4.372 4.320 0.003 0.000 0.217 904 A C 0.998 178.175 177.584 -0.679 0.000 1.162 904 A CA 0.829 52.615 52.037 -0.419 0.000 0.662 904 A CB -0.237 18.433 19.000 -0.550 0.000 0.812 904 A HN 0.565 nan 8.150 nan 0.000 0.450 905 H N -1.084 117.984 119.070 -0.002 0.000 2.511 905 H HA 0.188 4.746 4.556 0.002 0.000 0.228 905 H C -2.209 173.097 175.328 -0.038 0.000 1.424 905 H CA -1.437 54.586 56.048 -0.042 0.000 1.321 905 H CB 0.295 29.994 29.762 -0.104 0.000 1.720 905 H HN 0.352 nan 8.280 nan 0.000 0.512 906 P HA -0.143 nan 4.420 nan 0.000 0.222 906 P C 0.913 178.293 177.300 0.134 0.000 1.147 906 P CA 1.149 64.363 63.100 0.191 0.000 0.790 906 P CB 0.447 32.251 31.700 0.173 0.000 0.780 907 D N -0.653 119.801 120.400 0.090 0.000 2.333 907 D HA -0.022 4.620 4.640 0.003 0.000 0.208 907 D C 1.875 178.191 176.300 0.026 0.000 0.984 907 D CA 0.447 54.485 54.000 0.064 0.000 0.873 907 D CB -0.561 40.276 40.800 0.061 0.000 0.935 907 D HN 0.264 nan 8.370 nan 0.000 0.521 908 L N -0.672 120.547 121.223 -0.007 0.000 2.500 908 L HA 0.136 4.477 4.340 0.003 0.000 0.219 908 L C 2.454 179.237 176.870 -0.146 0.000 1.057 908 L CA -0.083 54.722 54.840 -0.057 0.000 0.854 908 L CB -0.165 41.838 42.059 -0.094 0.000 1.078 908 L HN -0.162 nan 8.230 nan 0.000 0.480 909 M N 0.432 119.838 119.600 -0.325 0.000 2.108 909 M HA -0.098 4.384 4.480 0.003 0.000 0.261 909 M C -0.248 175.706 176.300 -0.578 0.000 1.066 909 M CA 2.012 56.880 55.300 -0.720 0.000 1.107 909 M CB -1.936 29.682 32.600 -1.636 0.000 1.356 909 M HN 0.008 nan 8.290 nan 0.000 0.406 910 P HA -0.139 nan 4.420 nan 0.000 0.215 910 P C 0.954 178.285 177.300 0.052 0.000 1.153 910 P CA 1.322 64.480 63.100 0.096 0.000 0.853 910 P CB -0.068 31.748 31.700 0.193 0.000 0.788 911 D N -0.963 119.452 120.400 0.025 0.000 2.123 911 D HA -0.070 4.571 4.640 0.003 0.000 0.200 911 D C 2.027 178.384 176.300 0.095 0.000 0.976 911 D CA 1.427 55.459 54.000 0.052 0.000 0.831 911 D CB -0.845 39.981 40.800 0.043 0.000 0.974 911 D HN 0.032 nan 8.370 nan 0.000 0.469 912 A N 0.694 123.574 122.820 0.101 0.000 1.902 912 A HA -0.130 4.192 4.320 0.003 0.000 0.217 912 A C 2.496 180.267 177.584 0.312 0.000 1.181 912 A CA 1.214 53.419 52.037 0.280 0.000 0.623 912 A CB -0.715 18.370 19.000 0.142 0.000 0.818 912 A HN 0.147 nan 8.150 nan 0.000 0.443 913 V N -0.268 119.721 119.914 0.125 0.000 2.427 913 V HA -0.182 3.940 4.120 0.003 0.000 0.248 913 V C 2.998 179.208 176.094 0.192 0.000 1.051 913 V CA 1.689 64.084 62.300 0.158 0.000 1.048 913 V CB -1.095 30.779 31.823 0.085 0.000 0.666 913 V HN 0.608 nan 8.190 nan 0.000 0.456 914 A N -0.173 122.717 122.820 0.117 0.000 1.933 914 A HA -0.206 4.116 4.320 0.003 0.000 0.218 914 A C 2.403 180.093 177.584 0.178 0.000 1.175 914 A CA 2.421 54.519 52.037 0.100 0.000 0.628 914 A CB -0.871 18.173 19.000 0.074 0.000 0.814 914 A HN 0.488 nan 8.150 nan 0.000 0.444 915 T N -1.019 113.631 114.554 0.161 0.000 2.777 915 T HA -0.161 4.191 4.350 0.003 0.000 0.266 915 T C 1.916 176.692 174.700 0.127 0.000 1.040 915 T CA 1.373 63.504 62.100 0.051 0.000 1.141 915 T CB -0.511 68.296 68.868 -0.102 0.000 0.868 915 T HN 0.729 nan 8.240 nan 0.000 0.444 916 H N 1.028 120.257 119.070 0.265 0.000 2.319 916 H HA -0.171 4.387 4.556 0.003 0.000 0.297 916 H C 2.182 177.825 175.328 0.526 0.000 1.097 916 H CA 2.125 58.466 56.048 0.488 0.000 1.285 916 H CB -0.375 29.827 29.762 0.734 0.000 1.368 916 H HN 0.392 nan 8.280 nan 0.000 0.495 917 H N 0.451 119.809 119.070 0.480 0.000 2.353 917 H HA 0.014 4.572 4.556 0.004 0.000 0.300 917 H C 2.735 178.165 175.328 0.170 0.000 1.090 917 H CA 1.316 57.617 56.048 0.421 0.000 1.327 917 H CB -0.135 29.910 29.762 0.472 0.000 1.383 917 H HN 0.309 nan 8.280 nan 0.000 0.508 918 R N -0.052 120.592 120.500 0.239 0.000 2.081 918 R HA -0.070 4.272 4.340 0.003 0.000 0.235 918 R C 2.345 178.644 176.300 -0.002 0.000 1.131 918 R CA 1.128 57.282 56.100 0.091 0.000 0.960 918 R CB -0.329 29.996 30.300 0.042 0.000 0.856 918 R HN 0.271 nan 8.270 nan 0.000 0.436 919 L N 0.353 121.547 121.223 -0.049 0.000 2.017 919 L HA -0.197 4.145 4.340 0.003 0.000 0.208 919 L C 2.431 179.269 176.870 -0.053 0.000 1.073 919 L CA 1.364 56.151 54.840 -0.089 0.000 0.745 919 L CB -0.457 41.468 42.059 -0.223 0.000 0.894 919 L HN 0.185 nan 8.230 nan 0.000 0.432 920 I N -0.471 120.027 120.570 -0.120 0.000 2.226 920 I HA -0.275 3.897 4.170 0.003 0.000 0.245 920 I C 2.735 178.657 176.117 -0.325 0.000 1.100 920 I CA 1.264 62.359 61.300 -0.341 0.000 1.374 920 I CB -0.307 37.159 38.000 -0.889 0.000 1.057 920 I HN 0.201 nan 8.210 nan 0.000 0.413 921 R N 0.187 120.553 120.500 -0.224 0.000 2.115 921 R HA -0.088 4.254 4.340 0.003 0.000 0.230 921 R C 2.461 178.727 176.300 -0.057 0.000 1.111 921 R CA 1.396 57.438 56.100 -0.097 0.000 0.976 921 R CB -0.251 30.065 30.300 0.027 0.000 0.870 921 R HN 0.275 nan 8.270 nan 0.000 0.445 922 S N 1.046 116.714 115.700 -0.053 0.000 2.383 922 S HA -0.049 4.423 4.470 0.003 0.000 0.227 922 S C 1.905 176.477 174.600 -0.047 0.000 1.026 922 S CA 0.911 59.083 58.200 -0.045 0.000 0.981 922 S CB -0.074 63.097 63.200 -0.048 0.000 0.818 922 S HN 0.207 nan 8.310 nan 0.000 0.472 923 L N 0.933 122.139 121.223 -0.028 0.000 2.056 923 L HA -0.027 4.314 4.340 0.003 0.000 0.207 923 L C 2.201 179.113 176.870 0.070 0.000 1.078 923 L CA 0.972 55.844 54.840 0.053 0.000 0.749 923 L CB -0.538 41.565 42.059 0.073 0.000 0.901 923 L HN 0.279 nan 8.230 nan 0.000 0.433 924 I N -0.394 120.167 120.570 -0.016 0.000 2.163 924 I HA -0.323 3.849 4.170 0.003 0.000 0.243 924 I C 2.497 178.623 176.117 0.014 0.000 1.085 924 I CA 1.720 63.016 61.300 -0.007 0.000 1.347 924 I CB -0.489 37.480 38.000 -0.052 0.000 1.044 924 I HN 0.290 nan 8.210 nan 0.000 0.408 925 T N -0.037 114.509 114.554 -0.014 0.000 2.737 925 T HA -0.210 4.142 4.350 0.003 0.000 0.265 925 T C 1.980 176.636 174.700 -0.073 0.000 1.038 925 T CA 1.388 63.475 62.100 -0.023 0.000 1.144 925 T CB -0.298 68.555 68.868 -0.026 0.000 0.866 925 T HN 0.298 nan 8.240 nan 0.000 0.434 926 R N 0.044 120.459 120.500 -0.141 0.000 2.105 926 R HA -0.094 4.247 4.340 0.003 0.000 0.239 926 R C 1.199 177.213 176.300 -0.476 0.000 1.135 926 R CA 1.530 57.431 56.100 -0.332 0.000 0.967 926 R CB -0.271 29.755 30.300 -0.457 0.000 0.861 926 R HN 0.466 nan 8.270 nan 0.000 0.442 927 Y N 0.645 120.915 120.300 -0.050 0.000 2.532 927 Y HA 0.210 4.762 4.550 0.003 0.000 0.283 927 Y C -0.216 175.661 175.900 -0.038 0.000 1.181 927 Y CA -0.130 57.936 58.100 -0.057 0.000 1.256 927 Y CB 0.398 38.806 38.460 -0.087 0.000 1.112 927 Y HN 0.158 nan 8.280 nan 0.000 0.521 928 E N -1.244 118.983 120.200 0.045 0.000 2.440 928 E HA -0.274 4.078 4.350 0.003 0.000 0.246 928 E C -0.078 176.563 176.600 0.068 0.000 1.165 928 E CA 0.145 56.572 56.400 0.045 0.000 0.726 928 E CB -1.781 27.936 29.700 0.028 0.000 1.271 928 E HN 0.389 nan 8.360 nan 0.000 0.397 929 C N -0.349 119.000 119.300 0.081 0.000 2.517 929 C HA 0.513 4.975 4.460 0.003 0.000 0.357 929 C C 0.318 175.399 174.990 0.152 0.000 1.485 929 C CA -0.541 58.526 59.018 0.081 0.000 2.148 929 C CB 0.292 28.056 27.740 0.041 0.000 2.019 929 C HN 0.449 nan 8.230 nan 0.000 0.576 930 Y N 0.588 120.884 120.300 -0.008 0.000 2.346 930 Y HA 0.372 4.924 4.550 0.003 0.000 0.332 930 Y C -0.177 175.751 175.900 0.047 0.000 0.985 930 Y CA -0.540 57.579 58.100 0.031 0.000 1.112 930 Y CB 0.733 39.222 38.460 0.048 0.000 1.170 930 Y HN 0.759 nan 8.280 nan 0.000 0.447 931 E N 5.216 125.165 120.200 -0.418 0.000 2.166 931 E HA 0.231 4.582 4.350 0.003 0.000 0.279 931 E C -0.305 175.935 176.600 -0.600 0.000 1.095 931 E CA -0.105 56.105 56.400 -0.317 0.000 0.888 931 E CB 0.804 30.435 29.700 -0.116 0.000 1.041 931 E HN 0.772 nan 8.360 nan 0.000 0.414 932 V N 5.143 124.885 119.914 -0.285 0.000 2.302 932 V HA -0.090 4.032 4.120 0.003 0.000 0.243 932 V C 0.728 176.766 176.094 -0.093 0.000 1.036 932 V CA 1.784 64.024 62.300 -0.100 0.000 1.020 932 V CB -0.673 31.216 31.823 0.110 0.000 0.657 932 V HN 0.792 nan 8.190 nan 0.000 0.453 933 K N -1.822 118.514 120.400 -0.106 0.000 2.658 933 K HA 0.429 4.751 4.320 0.003 0.000 0.293 933 K C -1.520 174.961 176.600 -0.198 0.000 1.026 933 K CA -0.659 55.562 56.287 -0.110 0.000 0.871 933 K CB 1.828 34.299 32.500 -0.049 0.000 1.524 933 K HN -0.099 nan 8.250 nan 0.000 0.400 934 T N 1.066 115.482 114.554 -0.231 0.000 2.848 934 T HA 0.484 4.836 4.350 0.003 0.000 0.285 934 T C -1.524 173.087 174.700 -0.148 0.000 0.995 934 T CA -0.609 61.270 62.100 -0.368 0.000 0.970 934 T CB 1.411 69.992 68.868 -0.479 0.000 0.976 934 T HN 0.351 nan 8.240 nan 0.000 0.441 935 V N 3.790 123.651 119.914 -0.088 0.000 2.398 935 V HA 0.681 4.803 4.120 0.003 0.000 0.282 935 V C 0.916 177.027 176.094 0.028 0.000 1.014 935 V CA 0.118 62.416 62.300 -0.003 0.000 0.838 935 V CB 0.450 32.297 31.823 0.040 0.000 1.018 935 V HN 1.263 nan 8.190 nan 0.000 0.432 936 G N 5.559 114.380 108.800 0.036 0.000 2.561 936 G HA2 -0.292 3.670 3.960 0.003 0.000 0.289 936 G HA3 -0.292 3.670 3.960 0.003 0.000 0.289 936 G C 0.224 175.217 174.900 0.154 0.000 1.169 936 G CA 0.651 45.794 45.100 0.071 0.000 0.980 936 G HN 0.952 nan 8.290 nan 0.000 0.550 937 D N 0.291 120.812 120.400 0.202 0.000 2.358 937 D HA 0.475 5.117 4.640 0.003 0.000 0.224 937 D C 0.789 177.278 176.300 0.314 0.000 1.123 937 D CA 0.767 54.959 54.000 0.321 0.000 0.833 937 D CB 0.604 41.533 40.800 0.215 0.000 0.946 937 D HN 0.544 nan 8.370 nan 0.000 0.505 938 S N -0.300 115.508 115.700 0.180 0.000 2.525 938 S HA 0.538 5.010 4.470 0.003 0.000 0.278 938 S C -0.913 173.719 174.600 0.054 0.000 1.234 938 S CA -0.722 57.595 58.200 0.195 0.000 1.058 938 S CB 0.295 63.600 63.200 0.175 0.000 0.983 938 S HN 0.091 nan 8.310 nan 0.000 0.495 939 F N 3.287 123.280 119.950 0.071 0.000 2.480 939 F HA 0.554 5.083 4.527 0.002 0.000 0.329 939 F C 0.281 175.987 175.800 -0.157 0.000 1.091 939 F CA -0.737 57.231 58.000 -0.053 0.000 0.972 939 F CB 2.054 40.995 39.000 -0.098 0.000 1.150 939 F HN 0.462 nan 8.300 nan 0.000 0.467 940 M N 5.580 125.123 119.600 -0.095 0.000 2.134 940 M HA 0.613 5.095 4.480 0.003 0.000 0.310 940 M C -1.904 174.249 176.300 -0.246 0.000 0.966 940 M CA -0.177 54.835 55.300 -0.480 0.000 0.922 940 M CB 0.916 33.202 32.600 -0.523 0.000 1.537 940 M HN 0.522 nan 8.290 nan 0.000 0.424 941 I N 3.862 124.270 120.570 -0.269 0.000 2.509 941 I HA 0.736 4.908 4.170 0.003 0.000 0.293 941 I C -0.470 175.551 176.117 -0.160 0.000 1.020 941 I CA -0.755 60.462 61.300 -0.140 0.000 1.088 941 I CB 2.209 40.147 38.000 -0.103 0.000 1.267 941 I HN 0.782 nan 8.210 nan 0.000 0.430 942 A N 3.762 126.530 122.820 -0.086 0.000 2.355 942 A HA 0.866 5.187 4.320 0.003 0.000 0.324 942 A C -0.708 176.823 177.584 -0.089 0.000 1.117 942 A CA -0.528 51.398 52.037 -0.184 0.000 0.785 942 A CB 1.848 20.614 19.000 -0.388 0.000 1.254 942 A HN 0.585 nan 8.150 nan 0.000 0.453 943 S N 0.014 115.635 115.700 -0.132 0.000 2.540 943 S HA 0.411 4.882 4.470 0.003 0.000 0.275 943 S C 0.203 174.749 174.600 -0.090 0.000 1.123 943 S CA -0.598 57.558 58.200 -0.075 0.000 0.907 943 S CB 1.348 64.513 63.200 -0.059 0.000 1.081 943 S HN 0.628 nan 8.310 nan 0.000 0.476 944 K N 1.361 121.724 120.400 -0.062 0.000 2.366 944 K HA 0.103 4.425 4.320 0.003 0.000 0.198 944 K C 0.386 176.963 176.600 -0.038 0.000 1.044 944 K CA 0.365 56.616 56.287 -0.059 0.000 0.973 944 K CB 0.216 32.686 32.500 -0.051 0.000 0.767 944 K HN 0.411 nan 8.250 nan 0.000 0.475 945 S N 0.657 116.344 115.700 -0.022 0.000 2.552 945 S HA 0.279 4.750 4.470 0.003 0.000 0.314 945 S C -2.341 172.262 174.600 0.004 0.000 1.099 945 S CA -1.974 56.229 58.200 0.005 0.000 1.070 945 S CB 1.434 64.659 63.200 0.040 0.000 0.998 945 S HN -0.204 nan 8.310 nan 0.000 0.474 946 P HA -0.050 nan 4.420 nan 0.000 0.215 946 P C 1.065 178.402 177.300 0.063 0.000 1.153 946 P CA 0.694 63.801 63.100 0.011 0.000 0.853 946 P CB 0.003 31.704 31.700 0.002 0.000 0.788 947 F N 0.674 120.583 119.950 -0.069 0.000 2.186 947 F HA -0.077 4.451 4.527 0.003 0.000 0.299 947 F C 2.189 177.937 175.800 -0.086 0.000 1.090 947 F CA 1.136 59.094 58.000 -0.070 0.000 1.307 947 F CB -1.036 37.931 39.000 -0.054 0.000 1.019 947 F HN -0.154 nan 8.300 nan 0.000 0.489 948 A N 0.005 122.769 122.820 -0.095 0.000 1.933 948 A HA -0.019 4.303 4.320 0.003 0.000 0.218 948 A C 2.423 179.831 177.584 -0.294 0.000 1.175 948 A CA 1.636 53.570 52.037 -0.171 0.000 0.628 948 A CB -1.411 17.602 19.000 0.022 0.000 0.814 948 A HN 0.417 nan 8.150 nan 0.000 0.444 949 A N -0.576 122.131 122.820 -0.189 0.000 1.898 949 A HA 0.022 4.344 4.320 0.003 0.000 0.216 949 A C 2.204 179.638 177.584 -0.250 0.000 1.181 949 A CA 1.737 53.665 52.037 -0.183 0.000 0.620 949 A CB -0.821 18.116 19.000 -0.105 0.000 0.819 949 A HN 0.374 nan 8.150 nan 0.000 0.442 950 V N -0.094 119.664 119.914 -0.260 0.000 2.358 950 V HA -0.288 3.834 4.120 0.003 0.000 0.246 950 V C 2.608 178.449 176.094 -0.421 0.000 1.047 950 V CA 2.132 64.278 62.300 -0.257 0.000 1.035 950 V CB -0.903 30.839 31.823 -0.134 0.000 0.658 950 V HN 0.623 nan 8.190 nan 0.000 0.452 951 Q N -0.456 118.926 119.800 -0.697 0.000 2.084 951 Q HA -0.208 4.134 4.340 0.003 0.000 0.202 951 Q C 2.341 177.790 176.000 -0.920 0.000 0.978 951 Q CA 1.885 57.177 55.803 -0.851 0.000 0.844 951 Q CB -0.271 27.794 28.738 -1.121 0.000 0.898 951 Q HN 0.614 nan 8.270 nan 0.000 0.426 952 L N 0.309 120.938 121.223 -0.991 0.000 2.012 952 L HA -0.212 4.130 4.340 0.003 0.000 0.210 952 L C 2.291 178.971 176.870 -0.318 0.000 1.073 952 L CA 1.521 55.978 54.840 -0.638 0.000 0.748 952 L CB -0.375 41.480 42.059 -0.339 0.000 0.891 952 L HN 0.197 nan 8.230 nan 0.000 0.431 953 A N -0.718 121.937 122.820 -0.274 0.000 1.902 953 A HA -0.307 4.014 4.320 0.003 0.000 0.217 953 A C 2.230 179.721 177.584 -0.156 0.000 1.181 953 A CA 1.936 53.865 52.037 -0.181 0.000 0.623 953 A CB -0.699 18.214 19.000 -0.144 0.000 0.818 953 A HN 0.686 nan 8.150 nan 0.000 0.443 954 Q N -0.907 118.784 119.800 -0.182 0.000 2.079 954 Q HA -0.226 4.116 4.340 0.003 0.000 0.200 954 Q C 1.970 177.916 176.000 -0.089 0.000 0.974 954 Q CA 1.842 57.569 55.803 -0.128 0.000 0.840 954 Q CB -0.154 28.501 28.738 -0.138 0.000 0.898 954 Q HN 0.564 nan 8.270 nan 0.000 0.430 955 E N 0.493 120.629 120.200 -0.106 0.000 2.150 955 E HA -0.135 4.217 4.350 0.003 0.000 0.193 955 E C 1.823 178.447 176.600 0.041 0.000 0.985 955 E CA 0.651 57.047 56.400 -0.006 0.000 0.814 955 E CB -0.276 29.469 29.700 0.075 0.000 0.752 955 E HN 0.482 nan 8.360 nan 0.000 0.466 956 L N 0.094 121.316 121.223 -0.002 0.000 1.989 956 L HA -0.271 4.071 4.340 0.003 0.000 0.211 956 L C 2.136 179.057 176.870 0.085 0.000 1.071 956 L CA 1.527 56.392 54.840 0.042 0.000 0.749 956 L CB -0.256 41.736 42.059 -0.112 0.000 0.890 956 L HN 0.167 nan 8.230 nan 0.000 0.431 957 Q N -0.078 119.714 119.800 -0.014 0.000 2.096 957 Q HA -0.220 4.122 4.340 0.003 0.000 0.204 957 Q C 2.306 178.354 176.000 0.079 0.000 0.982 957 Q CA 1.840 57.645 55.803 0.004 0.000 0.850 957 Q CB -0.511 28.199 28.738 -0.047 0.000 0.901 957 Q HN 0.580 nan 8.270 nan 0.000 0.422 958 L N -0.473 120.783 121.223 0.054 0.000 2.056 958 L HA -0.193 4.149 4.340 0.003 0.000 0.207 958 L C 2.715 179.648 176.870 0.105 0.000 1.078 958 L CA 0.840 55.711 54.840 0.052 0.000 0.749 958 L CB -0.499 41.572 42.059 0.020 0.000 0.901 958 L HN 0.228 nan 8.230 nan 0.000 0.433 959 C N -0.688 118.702 119.300 0.149 0.000 2.432 959 C HA -0.166 4.296 4.460 0.003 0.000 0.277 959 C C 2.652 177.747 174.990 0.175 0.000 1.249 959 C CA 0.425 59.520 59.018 0.129 0.000 1.725 959 C CB -0.908 26.910 27.740 0.130 0.000 2.028 959 C HN 0.398 nan 8.230 nan 0.000 0.477 960 F N 0.601 120.632 119.950 0.135 0.000 2.171 960 F HA -0.084 4.445 4.527 0.003 0.000 0.300 960 F C 2.116 178.147 175.800 0.384 0.000 1.090 960 F CA 1.253 59.459 58.000 0.344 0.000 1.293 960 F CB -0.823 38.398 39.000 0.368 0.000 1.013 960 F HN 0.122 nan 8.300 nan 0.000 0.486 961 L N 0.377 121.818 121.223 0.363 0.000 2.056 961 L HA -0.102 4.240 4.340 0.003 0.000 0.207 961 L C 2.200 179.178 176.870 0.180 0.000 1.078 961 L CA 1.767 56.741 54.840 0.223 0.000 0.749 961 L CB -0.547 41.544 42.059 0.055 0.000 0.901 961 L HN -0.031 nan 8.230 nan 0.000 0.433 962 R N -0.796 119.771 120.500 0.112 0.000 2.193 962 R HA 0.102 4.444 4.340 0.003 0.000 0.213 962 R C 0.632 176.929 176.300 -0.004 0.000 1.055 962 R CA 0.015 56.142 56.100 0.046 0.000 0.995 962 R CB -0.321 29.986 30.300 0.013 0.000 0.893 962 R HN 0.259 nan 8.270 nan 0.000 0.459 963 L N 2.097 123.279 121.223 -0.069 0.000 2.485 963 L HA -0.014 4.328 4.340 0.003 0.000 0.275 963 L C -0.183 176.524 176.870 -0.271 0.000 1.207 963 L CA 0.102 54.760 54.840 -0.303 0.000 0.855 963 L CB 0.574 42.205 42.059 -0.715 0.000 1.114 963 L HN -0.071 nan 8.230 nan 0.000 0.485 964 D N 3.430 123.683 120.400 -0.245 0.000 2.365 964 D HA 0.057 4.699 4.640 0.003 0.000 0.237 964 D C 0.098 176.289 176.300 -0.181 0.000 1.190 964 D CA -0.066 53.873 54.000 -0.101 0.000 0.867 964 D CB 0.405 41.170 40.800 -0.059 0.000 1.050 964 D HN 0.464 nan 8.370 nan 0.000 0.491 965 W N 2.711 124.008 121.300 -0.006 0.000 2.937 965 W HA 0.099 4.760 4.660 0.002 0.000 0.245 965 W C 0.799 177.306 176.519 -0.020 0.000 1.306 965 W CA -0.031 57.307 57.345 -0.012 0.000 1.470 965 W CB -0.139 29.328 29.460 0.012 0.000 1.132 965 W HN 0.544 nan 8.180 nan 0.000 0.675 966 E N -0.194 120.094 120.200 0.146 0.000 2.791 966 E HA -0.242 4.110 4.350 0.003 0.000 0.271 966 E C 0.049 176.695 176.600 0.077 0.000 1.044 966 E CA 0.964 57.411 56.400 0.079 0.000 0.814 966 E CB -1.769 27.954 29.700 0.039 0.000 1.400 966 E HN 0.097 nan 8.360 nan 0.000 0.423 967 T N -1.580 113.035 114.554 0.101 0.000 2.977 967 T HA 0.371 4.723 4.350 0.003 0.000 0.345 967 T C -0.727 173.992 174.700 0.031 0.000 1.562 967 T CA -0.379 61.742 62.100 0.035 0.000 1.090 967 T CB 1.598 70.457 68.868 -0.016 0.000 1.383 967 T HN 0.065 nan 8.240 nan 0.000 0.484 968 N N 1.543 120.233 118.700 -0.017 0.000 2.205 968 N HA 0.411 5.152 4.740 0.003 0.000 0.201 968 N C 1.773 177.227 175.510 -0.093 0.000 1.128 968 N CA 0.743 53.782 53.050 -0.019 0.000 0.867 968 N CB 0.236 38.718 38.487 -0.010 0.000 0.996 968 N HN 0.639 nan 8.380 nan 0.000 0.503 969 A N -0.253 122.464 122.820 -0.172 0.000 1.940 969 A HA -0.091 4.231 4.320 0.003 0.000 0.219 969 A C 2.005 179.352 177.584 -0.394 0.000 1.176 969 A CA 1.428 53.271 52.037 -0.322 0.000 0.631 969 A CB -0.663 18.015 19.000 -0.537 0.000 0.814 969 A HN 0.149 nan 8.150 nan 0.000 0.446 970 V N 0.468 120.182 119.914 -0.333 0.000 2.358 970 V HA -0.226 3.896 4.120 0.003 0.000 0.246 970 V C 2.093 178.118 176.094 -0.115 0.000 1.047 970 V CA 2.139 64.275 62.300 -0.274 0.000 1.035 970 V CB -0.733 30.954 31.823 -0.225 0.000 0.658 970 V HN 0.552 nan 8.190 nan 0.000 0.452 971 D N -0.173 120.233 120.400 0.010 0.000 2.144 971 D HA -0.156 4.485 4.640 0.003 0.000 0.200 971 D C 2.133 178.399 176.300 -0.057 0.000 0.978 971 D CA 1.259 55.341 54.000 0.136 0.000 0.833 971 D CB 0.026 40.945 40.800 0.197 0.000 0.961 971 D HN 0.584 nan 8.370 nan 0.000 0.470 972 E N 0.808 120.922 120.200 -0.143 0.000 2.077 972 E HA -0.112 4.240 4.350 0.003 0.000 0.193 972 E C 2.275 178.719 176.600 -0.261 0.000 0.989 972 E CA 0.730 57.019 56.400 -0.186 0.000 0.800 972 E CB 0.011 29.627 29.700 -0.140 0.000 0.746 972 E HN 0.038 nan 8.360 nan 0.000 0.452 973 S N 0.253 115.752 115.700 -0.334 0.000 2.356 973 S HA -0.152 4.320 4.470 0.003 0.000 0.223 973 S C 1.797 175.698 174.600 -1.164 0.000 1.032 973 S CA 1.004 58.766 58.200 -0.730 0.000 1.005 973 S CB -0.377 62.472 63.200 -0.584 0.000 0.867 973 S HN 0.321 nan 8.310 nan 0.000 0.449 974 Y N 1.629 121.577 120.300 -0.587 0.000 2.165 974 Y HA -0.148 4.404 4.550 0.004 0.000 0.286 974 Y C 2.711 178.453 175.900 -0.263 0.000 1.155 974 Y CA 1.202 59.096 58.100 -0.344 0.000 1.164 974 Y CB -0.100 38.293 38.460 -0.112 0.000 0.978 974 Y HN 0.132 nan 8.280 nan 0.000 0.513 975 R N 0.076 120.516 120.500 -0.099 0.000 2.092 975 R HA -0.162 4.179 4.340 0.003 0.000 0.231 975 R C 2.031 178.273 176.300 -0.096 0.000 1.119 975 R CA 1.597 57.638 56.100 -0.100 0.000 0.970 975 R CB -0.289 29.903 30.300 -0.179 0.000 0.864 975 R HN 0.490 nan 8.270 nan 0.000 0.440 976 E N 0.133 120.213 120.200 -0.199 0.000 2.077 976 E HA -0.173 4.179 4.350 0.003 0.000 0.193 976 E C 1.831 178.456 176.600 0.042 0.000 0.989 976 E CA 1.277 57.603 56.400 -0.122 0.000 0.800 976 E CB -0.175 29.407 29.700 -0.197 0.000 0.746 976 E HN 0.361 nan 8.360 nan 0.000 0.452 977 F N 1.341 121.299 119.950 0.013 0.000 2.126 977 F HA -0.201 4.328 4.527 0.003 0.000 0.299 977 F C 2.383 178.203 175.800 0.033 0.000 1.096 977 F CA 0.587 58.596 58.000 0.014 0.000 1.255 977 F CB -0.158 38.860 39.000 0.030 0.000 0.997 977 F HN 0.037 nan 8.300 nan 0.000 0.479 978 E N 0.464 120.810 120.200 0.242 0.000 2.072 978 E HA -0.205 4.147 4.350 0.003 0.000 0.191 978 E C 1.962 178.695 176.600 0.222 0.000 0.985 978 E CA 1.304 57.852 56.400 0.246 0.000 0.801 978 E CB -0.216 29.596 29.700 0.188 0.000 0.750 978 E HN 0.520 nan 8.360 nan 0.000 0.452 979 E N 0.800 121.079 120.200 0.132 0.000 2.077 979 E HA -0.217 4.135 4.350 0.003 0.000 0.193 979 E C 2.177 178.833 176.600 0.093 0.000 0.989 979 E CA 0.979 57.438 56.400 0.098 0.000 0.800 979 E CB -0.008 29.719 29.700 0.045 0.000 0.746 979 E HN 0.264 nan 8.360 nan 0.000 0.452 980 Q N 0.204 120.060 119.800 0.094 0.000 2.124 980 Q HA -0.152 4.189 4.340 0.003 0.000 0.202 980 Q C 2.225 178.242 176.000 0.028 0.000 0.977 980 Q CA 1.093 56.936 55.803 0.065 0.000 0.850 980 Q CB -0.102 28.690 28.738 0.089 0.000 0.901 980 Q HN 0.106 nan 8.270 nan 0.000 0.429 981 R N 0.184 120.688 120.500 0.006 0.000 2.115 981 R HA -0.067 4.274 4.340 0.003 0.000 0.226 981 R C 2.076 178.330 176.300 -0.076 0.000 1.100 981 R CA 1.014 57.030 56.100 -0.140 0.000 0.980 981 R CB -0.119 29.954 30.300 -0.377 0.000 0.875 981 R HN 0.232 nan 8.270 nan 0.000 0.445 982 A N 1.857 124.768 122.820 0.150 0.000 1.873 982 A HA -0.209 4.113 4.320 0.003 0.000 0.215 982 A C 1.929 179.596 177.584 0.137 0.000 1.186 982 A CA 1.638 53.849 52.037 0.289 0.000 0.616 982 A CB -0.508 18.655 19.000 0.272 0.000 0.823 982 A HN 0.681 nan 8.150 nan 0.000 0.442 983 E N -0.782 119.466 120.200 0.081 0.000 2.110 983 E HA -0.045 4.307 4.350 0.003 0.000 0.193 983 E C 1.679 178.299 176.600 0.033 0.000 0.988 983 E CA 1.095 57.525 56.400 0.049 0.000 0.804 983 E CB -0.537 29.184 29.700 0.035 0.000 0.745 983 E HN 0.416 nan 8.360 nan 0.000 0.458 984 G N 0.353 109.163 108.800 0.018 0.000 3.042 984 G HA2 -0.019 3.943 3.960 0.003 0.000 0.212 984 G HA3 -0.019 3.943 3.960 0.003 0.000 0.212 984 G C 0.105 175.003 174.900 -0.004 0.000 1.166 984 G CA -0.295 44.804 45.100 -0.001 0.000 0.767 984 G HN 0.127 nan 8.290 nan 0.000 0.546 985 E N -0.332 119.876 120.200 0.013 0.000 2.224 985 E HA 0.335 4.686 4.350 0.003 0.000 0.265 985 E C -1.143 175.501 176.600 0.075 0.000 0.878 985 E CA -0.705 55.709 56.400 0.024 0.000 0.759 985 E CB 2.073 31.765 29.700 -0.012 0.000 1.164 985 E HN -0.046 nan 8.360 nan 0.000 0.414 986 C N 2.456 121.791 119.300 0.057 0.000 2.463 986 C HA 0.456 4.918 4.460 0.003 0.000 0.380 986 C C 0.662 175.700 174.990 0.080 0.000 1.264 986 C CA 1.064 60.118 59.018 0.060 0.000 2.161 986 C CB -0.370 27.392 27.740 0.037 0.000 2.515 986 C HN 0.998 nan 8.230 nan 0.000 0.565 987 E N 2.577 122.824 120.200 0.078 0.000 2.484 987 E HA -0.175 4.177 4.350 0.003 0.000 0.181 987 E C -0.746 175.944 176.600 0.150 0.000 1.458 987 E CA 1.281 57.727 56.400 0.078 0.000 0.667 987 E CB -1.978 nan 29.700 nan 0.000 1.125 987 E HN 1.686 nan 8.360 nan 0.000 0.384 988 Y N -1.098 119.208 120.300 0.010 0.000 2.380 988 Y HA 0.513 5.064 4.550 0.003 0.000 0.320 988 Y C -0.302 175.605 175.900 0.012 0.000 1.272 988 Y CA 0.122 58.230 58.100 0.013 0.000 1.165 988 Y CB 1.073 39.542 38.460 0.015 0.000 1.319 988 Y HN 0.987 nan 8.280 nan 0.000 0.443 989 T N 4.420 118.461 114.554 -0.855 0.000 2.893 989 T HA 0.628 4.980 4.350 0.003 0.000 0.293 989 T C -3.262 170.955 174.700 -0.805 0.000 1.027 989 T CA -2.398 59.360 62.100 -0.569 0.000 0.988 989 T CB 2.403 71.110 68.868 -0.268 0.000 1.043 989 T HN 0.464 nan 8.240 nan 0.000 0.461 990 P HA 0.185 nan 4.420 nan 0.000 0.265 990 P C -1.897 175.291 177.300 -0.187 0.000 1.222 990 P CA -1.112 61.876 63.100 -0.187 0.000 0.767 990 P CB 0.519 32.206 31.700 -0.020 0.000 0.801 991 P HA -0.057 nan 4.420 nan 0.000 0.241 991 P C 0.905 178.108 177.300 -0.162 0.000 1.191 991 P CA 1.037 64.043 63.100 -0.158 0.000 0.771 991 P CB 0.214 31.833 31.700 -0.135 0.000 0.929 992 T N -5.474 108.968 114.554 -0.187 0.000 3.051 992 T HA 0.334 4.686 4.350 0.003 0.000 0.254 992 T C 1.816 176.533 174.700 0.027 0.000 0.916 992 T CA 0.630 62.630 62.100 -0.167 0.000 0.894 992 T CB -0.775 67.705 68.868 -0.647 0.000 1.251 992 T HN -0.080 nan 8.240 nan 0.000 0.517 993 A N 1.480 124.285 122.820 -0.025 0.000 2.172 993 A HA 0.238 4.560 4.320 0.003 0.000 0.216 993 A C 2.204 179.778 177.584 -0.018 0.000 1.154 993 A CA 1.402 53.421 52.037 -0.030 0.000 0.701 993 A CB -0.733 18.249 19.000 -0.030 0.000 0.789 993 A HN 0.494 nan 8.150 nan 0.000 0.465 994 S N -0.578 115.119 115.700 -0.005 0.000 2.556 994 S HA 0.325 4.797 4.470 0.003 0.000 0.216 994 S C 0.395 175.010 174.600 0.025 0.000 0.970 994 S CA -0.358 57.841 58.200 -0.002 0.000 0.912 994 S CB -0.220 62.969 63.200 -0.017 0.000 0.790 994 S HN 0.456 nan 8.310 nan 0.000 0.504 995 L N 1.964 123.228 121.223 0.069 0.000 2.417 995 L HA 0.281 4.623 4.340 0.003 0.000 0.268 995 L C 0.110 177.038 176.870 0.096 0.000 1.158 995 L CA -0.657 54.249 54.840 0.109 0.000 0.819 995 L CB 0.330 42.515 42.059 0.210 0.000 1.112 995 L HN 0.028 nan 8.230 nan 0.000 0.458 996 D N 2.526 122.975 120.400 0.081 0.000 2.399 996 D HA 0.072 4.713 4.640 0.003 0.000 0.241 996 D C -1.401 174.956 176.300 0.095 0.000 1.133 996 D CA -1.418 52.618 54.000 0.061 0.000 0.890 996 D CB 0.981 41.809 40.800 0.046 0.000 1.201 996 D HN 0.243 nan 8.370 nan 0.000 0.432 997 P HA -0.202 nan 4.420 nan 0.000 0.217 997 P C 0.791 178.166 177.300 0.124 0.000 1.162 997 P CA 1.630 64.768 63.100 0.063 0.000 0.901 997 P CB 0.300 32.011 31.700 0.019 0.000 0.793 998 E N -1.027 119.228 120.200 0.091 0.000 2.150 998 E HA -0.098 4.254 4.350 0.003 0.000 0.193 998 E C 1.990 178.652 176.600 0.103 0.000 0.985 998 E CA 0.774 57.227 56.400 0.088 0.000 0.814 998 E CB -1.169 28.564 29.700 0.055 0.000 0.752 998 E HN 0.064 nan 8.360 nan 0.000 0.466 999 V N 0.300 120.279 119.914 0.109 0.000 2.379 999 V HA -0.240 3.881 4.120 0.003 0.000 0.245 999 V C 1.963 178.144 176.094 0.144 0.000 1.044 999 V CA 1.691 64.050 62.300 0.098 0.000 1.036 999 V CB -0.537 31.336 31.823 0.084 0.000 0.664 999 V HN 0.316 nan 8.190 nan 0.000 0.453 1000 Y N 2.150 122.508 120.300 0.096 0.000 2.128 1000 Y HA -0.290 4.262 4.550 0.003 0.000 0.284 1000 Y C 2.788 178.798 175.900 0.184 0.000 1.154 1000 Y CA 2.041 60.247 58.100 0.177 0.000 1.149 1000 Y CB -0.227 38.303 38.460 0.116 0.000 0.976 1000 Y HN 0.372 nan 8.280 nan 0.000 0.505 1001 S N -0.466 115.439 115.700 0.341 0.000 2.507 1001 S HA -0.123 4.348 4.470 0.003 0.000 0.235 1001 S C 1.839 176.483 174.600 0.074 0.000 0.988 1001 S CA 0.879 59.219 58.200 0.233 0.000 0.944 1001 S CB -0.324 63.012 63.200 0.227 0.000 0.762 1001 S HN 0.377 nan 8.310 nan 0.000 0.526 1002 R N 0.686 121.201 120.500 0.025 0.000 2.240 1002 R HA 0.398 4.740 4.340 0.003 0.000 0.203 1002 R C 1.535 177.758 176.300 -0.129 0.000 1.011 1002 R CA 0.814 56.897 56.100 -0.029 0.000 1.007 1002 R CB -0.400 29.890 30.300 -0.018 0.000 0.911 1002 R HN 0.547 nan 8.270 nan 0.000 0.468 1003 L N -2.727 118.360 121.223 -0.227 0.000 2.717 1003 L HA 0.375 4.717 4.340 0.003 0.000 0.239 1003 L C -0.487 175.841 176.870 -0.903 0.000 1.086 1003 L CA -0.300 54.211 54.840 -0.549 0.000 0.897 1003 L CB 0.379 42.063 42.059 -0.625 0.000 1.214 1003 L HN -0.005 nan 8.230 nan 0.000 0.508 1004 W N 0.138 121.200 121.300 -0.397 0.000 2.998 1004 W HA 0.538 5.200 4.660 0.003 0.000 0.335 1004 W C -0.621 175.780 176.519 -0.196 0.000 1.110 1004 W CA -0.492 56.591 57.345 -0.437 0.000 1.230 1004 W CB 1.514 30.385 29.460 -0.982 0.000 1.405 1004 W HN -0.234 nan 8.180 nan 0.000 0.493 1005 N N 1.704 120.528 118.700 0.208 0.000 2.999 1005 N HA 0.463 5.205 4.740 0.003 0.000 0.244 1005 N C -0.223 175.371 175.510 0.140 0.000 1.106 1005 N CA 0.796 53.993 53.050 0.245 0.000 1.018 1005 N CB 0.839 39.489 38.487 0.272 0.000 1.600 1005 N HN 0.925 nan 8.380 nan 0.000 0.621 1006 G N 1.485 110.215 108.800 -0.118 0.000 2.584 1006 G HA2 -0.201 3.760 3.960 0.003 0.000 0.229 1006 G HA3 -0.201 3.760 3.960 0.003 0.000 0.229 1006 G C -0.829 173.784 174.900 -0.479 0.000 1.320 1006 G CA -0.353 44.212 45.100 -0.892 0.000 0.891 1006 G HN 0.675 nan 8.290 nan 0.000 0.573 1007 L N 0.713 121.436 121.223 -0.833 0.000 2.525 1007 L HA 0.262 4.603 4.340 0.003 0.000 0.278 1007 L C 1.302 178.252 176.870 0.134 0.000 1.218 1007 L CA 0.249 55.023 54.840 -0.110 0.000 0.878 1007 L CB 0.209 42.238 42.059 -0.050 0.000 1.127 1007 L HN 0.470 nan 8.230 nan 0.000 0.492 1008 R N 2.901 123.474 120.500 0.121 0.000 2.229 1008 R HA 0.460 4.802 4.340 0.003 0.000 0.332 1008 R C -1.029 175.317 176.300 0.077 0.000 0.989 1008 R CA -0.635 55.470 56.100 0.008 0.000 0.842 1008 R CB 1.569 31.681 30.300 -0.315 0.000 1.119 1008 R HN 0.324 nan 8.270 nan 0.000 0.456 1009 V N 4.702 124.617 119.914 0.001 0.000 2.394 1009 V HA 0.334 4.455 4.120 0.003 0.000 0.282 1009 V C 0.339 176.430 176.094 -0.006 0.000 1.031 1009 V CA -0.849 61.437 62.300 -0.023 0.000 0.881 1009 V CB 1.303 32.977 31.823 -0.247 0.000 0.982 1009 V HN 0.748 nan 8.190 nan 0.000 0.451 1010 R N 3.753 124.276 120.500 0.038 0.000 2.404 1010 R HA 0.825 5.167 4.340 0.003 0.000 0.291 1010 R C -1.485 174.824 176.300 0.015 0.000 1.025 1010 R CA -0.581 55.529 56.100 0.018 0.000 0.991 1010 R CB 1.530 31.852 30.300 0.037 0.000 1.053 1010 R HN 0.373 nan 8.270 nan 0.000 0.479 1011 V N 1.634 121.538 119.914 -0.017 0.000 2.686 1011 V HA 0.662 4.783 4.120 0.003 0.000 0.306 1011 V C -0.058 176.042 176.094 0.011 0.000 1.065 1011 V CA -0.673 61.627 62.300 0.001 0.000 0.894 1011 V CB 2.104 33.901 31.823 -0.044 0.000 1.004 1011 V HN 1.012 nan 8.190 nan 0.000 0.424 1012 G N 3.848 112.689 108.800 0.070 0.000 2.566 1012 G HA2 0.833 4.795 3.960 0.003 0.000 0.311 1012 G HA3 0.833 4.795 3.960 0.003 0.000 0.311 1012 G C -1.320 173.653 174.900 0.121 0.000 1.322 1012 G CA -0.539 44.609 45.100 0.080 0.000 0.969 1012 G HN 0.591 nan 8.290 nan 0.000 0.490 1013 I N 1.441 122.077 120.570 0.111 0.000 2.533 1013 I HA 0.457 4.629 4.170 0.003 0.000 0.290 1013 I C -0.776 175.460 176.117 0.198 0.000 1.056 1013 I CA -0.815 60.559 61.300 0.123 0.000 1.057 1013 I CB 2.663 40.699 38.000 0.060 0.000 1.240 1013 I HN 0.555 nan 8.210 nan 0.000 0.423 1014 H N 3.661 122.776 119.070 0.075 0.000 2.996 1014 H HA 0.522 5.080 4.556 0.003 0.000 0.368 1014 H C -1.713 173.645 175.328 0.051 0.000 1.185 1014 H CA -0.395 55.697 56.048 0.073 0.000 1.160 1014 H CB 2.569 32.383 29.762 0.087 0.000 1.820 1014 H HN 0.537 nan 8.280 nan 0.000 0.547 1015 T N 2.190 116.365 114.554 -0.631 0.000 2.841 1015 T HA 0.628 4.980 4.350 0.003 0.000 0.283 1015 T C -0.318 174.015 174.700 -0.611 0.000 1.000 1015 T CA -0.156 61.670 62.100 -0.456 0.000 0.977 1015 T CB 1.566 70.305 68.868 -0.215 0.000 0.979 1015 T HN 0.834 nan 8.240 nan 0.000 0.446 1016 G N 1.544 110.161 108.800 -0.305 0.000 2.356 1016 G HA2 0.447 4.409 3.960 0.003 0.000 0.294 1016 G HA3 0.447 4.409 3.960 0.003 0.000 0.294 1016 G C -2.021 172.860 174.900 -0.031 0.000 1.423 1016 G CA -0.956 44.059 45.100 -0.143 0.000 0.806 1016 G HN 0.568 nan 8.290 nan 0.000 0.527 1017 L N -0.104 121.133 121.223 0.023 0.000 2.426 1017 L HA 0.472 4.814 4.340 0.003 0.000 0.271 1017 L C 0.386 177.315 176.870 0.098 0.000 1.169 1017 L CA -0.123 54.749 54.840 0.054 0.000 0.836 1017 L CB 0.429 42.521 42.059 0.056 0.000 1.112 1017 L HN 0.618 nan 8.230 nan 0.000 0.465 1018 C N 1.299 120.678 119.300 0.133 0.000 2.667 1018 C HA 0.401 4.862 4.460 0.003 0.000 0.323 1018 C C -0.064 175.046 174.990 0.201 0.000 1.214 1018 C CA -1.030 58.108 59.018 0.199 0.000 1.721 1018 C CB 2.156 30.078 27.740 0.303 0.000 2.275 1018 C HN 0.662 nan 8.230 nan 0.000 0.491 1019 D N 1.966 122.495 120.400 0.215 0.000 2.339 1019 D HA 0.396 5.037 4.640 0.003 0.000 0.241 1019 D C -0.215 176.210 176.300 0.209 0.000 1.183 1019 D CA 0.350 54.462 54.000 0.186 0.000 0.859 1019 D CB 0.525 41.432 40.800 0.178 0.000 1.067 1019 D HN 0.332 nan 8.370 nan 0.000 0.484 1020 I N 2.859 123.527 120.570 0.163 0.000 2.342 1020 I HA 0.265 4.437 4.170 0.003 0.000 0.291 1020 I C 0.804 176.974 176.117 0.089 0.000 1.010 1020 I CA -0.424 60.926 61.300 0.083 0.000 1.308 1020 I CB 0.879 38.962 38.000 0.140 0.000 1.400 1020 I HN -0.047 nan 8.210 nan 0.000 0.488 1021 R N 5.462 125.990 120.500 0.046 0.000 2.534 1021 R HA 0.404 4.745 4.340 0.003 0.000 0.301 1021 R C -1.319 174.988 176.300 0.011 0.000 0.961 1021 R CA -0.878 55.266 56.100 0.072 0.000 0.871 1021 R CB 2.433 32.807 30.300 0.123 0.000 1.170 1021 R HN 0.528 nan 8.270 nan 0.000 0.446 1022 Y N 1.528 121.716 120.300 -0.187 0.000 2.361 1022 Y HA 0.231 4.783 4.550 0.003 0.000 0.332 1022 Y C -0.667 175.087 175.900 -0.243 0.000 1.101 1022 Y CA -0.610 57.237 58.100 -0.421 0.000 1.137 1022 Y CB 1.516 39.689 38.460 -0.478 0.000 1.207 1022 Y HN 0.473 nan 8.280 nan 0.000 0.463 1023 D N 4.434 124.261 120.400 -0.954 0.000 2.303 1023 D HA 0.116 4.758 4.640 0.003 0.000 0.236 1023 D C 0.498 176.155 176.300 -1.073 0.000 1.068 1023 D CA -0.188 53.392 54.000 -0.699 0.000 0.830 1023 D CB 1.600 42.178 40.800 -0.370 0.000 1.109 1023 D HN 0.844 nan 8.370 nan 0.000 0.496 1024 E N 2.487 122.304 120.200 -0.640 0.000 2.107 1024 E HA -0.122 4.230 4.350 0.003 0.000 0.191 1024 E C 1.624 178.088 176.600 -0.227 0.000 0.982 1024 E CA 0.542 56.715 56.400 -0.378 0.000 0.809 1024 E CB 0.363 29.997 29.700 -0.109 0.000 0.756 1024 E HN 0.342 nan 8.360 nan 0.000 0.459 1025 V N 0.622 120.422 119.914 -0.191 0.000 2.379 1025 V HA -0.167 3.955 4.120 0.003 0.000 0.245 1025 V C 2.262 178.299 176.094 -0.095 0.000 1.044 1025 V CA 2.487 64.722 62.300 -0.109 0.000 1.036 1025 V CB -0.255 31.519 31.823 -0.080 0.000 0.664 1025 V HN 0.609 nan 8.190 nan 0.000 0.453 1026 T N -3.340 111.134 114.554 -0.133 0.000 3.044 1026 T HA 0.225 4.577 4.350 0.003 0.000 0.250 1026 T C 1.366 176.027 174.700 -0.065 0.000 1.081 1026 T CA 1.431 63.485 62.100 -0.076 0.000 1.040 1026 T CB 0.316 69.148 68.868 -0.060 0.000 0.962 1026 T HN 1.140 nan 8.240 nan 0.000 0.506 1027 K N -0.144 120.145 120.400 -0.184 0.000 3.407 1027 K HA -0.052 4.270 4.320 0.003 0.000 0.312 1027 K C 0.637 177.234 176.600 -0.005 0.000 1.302 1027 K CA 1.255 57.485 56.287 -0.095 0.000 0.931 1027 K CB -2.641 29.926 32.500 0.112 0.000 1.257 1027 K HN 1.246 nan 8.250 nan 0.000 0.454 1028 G N -1.576 107.159 108.800 -0.110 0.000 2.502 1028 G HA2 0.638 4.600 3.960 0.003 0.000 0.305 1028 G HA3 0.638 4.600 3.960 0.003 0.000 0.305 1028 G C -0.399 174.491 174.900 -0.017 0.000 1.190 1028 G CA -0.476 44.695 45.100 0.118 0.000 0.933 1028 G HN 0.596 nan 8.290 nan 0.000 0.503 1029 Y N -0.457 119.994 120.300 0.252 0.000 2.429 1029 Y HA 0.471 5.022 4.550 0.003 0.000 0.342 1029 Y C 0.007 175.899 175.900 -0.013 0.000 1.004 1029 Y CA -0.615 57.522 58.100 0.063 0.000 1.075 1029 Y CB 2.588 41.008 38.460 -0.067 0.000 1.214 1029 Y HN 0.445 nan 8.280 nan 0.000 0.455 1030 D N 0.657 120.967 120.400 -0.150 0.000 2.523 1030 D HA 0.400 5.042 4.640 0.003 0.000 0.236 1030 D C -1.840 174.071 176.300 -0.648 0.000 1.094 1030 D CA -0.687 53.182 54.000 -0.218 0.000 0.942 1030 D CB 1.621 42.432 40.800 0.017 0.000 1.447 1030 D HN 0.380 nan 8.370 nan 0.000 0.479 1031 Y N 0.820 121.090 120.300 -0.049 0.000 2.346 1031 Y HA 0.448 5.000 4.550 0.003 0.000 0.332 1031 Y C -0.671 175.113 175.900 -0.194 0.000 0.985 1031 Y CA -0.752 57.349 58.100 0.002 0.000 1.112 1031 Y CB 1.258 39.747 38.460 0.049 0.000 1.170 1031 Y HN 0.203 nan 8.280 nan 0.000 0.447 1032 Y N 0.703 121.126 120.300 0.205 0.000 2.659 1032 Y HA 0.847 5.399 4.550 0.003 0.000 0.333 1032 Y C 0.738 176.731 175.900 0.154 0.000 1.064 1032 Y CA -0.687 57.511 58.100 0.163 0.000 1.141 1032 Y CB 2.315 40.835 38.460 0.101 0.000 1.316 1032 Y HN 0.782 nan 8.280 nan 0.000 0.509 1033 G N 0.330 109.313 108.800 0.306 0.000 2.525 1033 G HA2 -0.139 3.823 3.960 0.003 0.000 0.685 1033 G HA3 -0.139 3.823 3.960 0.003 0.000 0.685 1033 G C 0.052 175.051 174.900 0.165 0.000 1.290 1033 G CA -0.657 44.565 45.100 0.204 0.000 0.915 1033 G HN 0.606 nan 8.290 nan 0.000 0.548 1034 R N -0.674 119.905 120.500 0.132 0.000 2.127 1034 R HA -0.075 4.267 4.340 0.003 0.000 0.238 1034 R C 2.801 179.183 176.300 0.137 0.000 1.134 1034 R CA 2.075 58.239 56.100 0.107 0.000 0.975 1034 R CB -0.556 29.797 30.300 0.088 0.000 0.865 1034 R HN 0.570 nan 8.270 nan 0.000 0.447 1035 T N 0.126 114.798 114.554 0.197 0.000 2.708 1035 T HA -0.169 4.183 4.350 0.003 0.000 0.266 1035 T C 1.913 176.792 174.700 0.298 0.000 1.037 1035 T CA 1.784 64.062 62.100 0.296 0.000 1.146 1035 T CB -0.219 68.784 68.868 0.226 0.000 0.865 1035 T HN 0.252 nan 8.240 nan 0.000 0.435 1036 S N 1.269 117.113 115.700 0.240 0.000 2.368 1036 S HA -0.132 4.340 4.470 0.003 0.000 0.224 1036 S C 2.002 176.687 174.600 0.141 0.000 1.029 1036 S CA 1.068 59.430 58.200 0.270 0.000 0.988 1036 S CB -0.458 62.886 63.200 0.239 0.000 0.838 1036 S HN 0.417 nan 8.310 nan 0.000 0.462 1037 N N 1.054 119.797 118.700 0.071 0.000 2.244 1037 N HA -0.077 4.665 4.740 0.003 0.000 0.183 1037 N C 1.613 177.071 175.510 -0.086 0.000 1.016 1037 N CA 1.251 54.280 53.050 -0.034 0.000 0.866 1037 N CB -0.548 37.941 38.487 0.005 0.000 0.980 1037 N HN 0.438 nan 8.380 nan 0.000 0.430 1038 M N 1.292 120.862 119.600 -0.050 0.000 2.132 1038 M HA 0.067 4.549 4.480 0.003 0.000 0.263 1038 M C 1.882 178.102 176.300 -0.133 0.000 1.065 1038 M CA 1.093 56.291 55.300 -0.170 0.000 1.122 1038 M CB -0.494 31.857 32.600 -0.415 0.000 1.365 1038 M HN 0.133 nan 8.290 nan 0.000 0.411 1039 A N -0.174 122.672 122.820 0.043 0.000 1.902 1039 A HA 0.059 4.380 4.320 0.003 0.000 0.217 1039 A C 2.376 179.916 177.584 -0.074 0.000 1.181 1039 A CA 2.047 54.187 52.037 0.172 0.000 0.623 1039 A CB -1.446 17.833 19.000 0.466 0.000 0.818 1039 A HN 0.646 nan 8.150 nan 0.000 0.443 1040 A N -0.199 122.304 122.820 -0.528 0.000 1.877 1040 A HA -0.150 4.172 4.320 0.003 0.000 0.216 1040 A C 2.231 179.592 177.584 -0.372 0.000 1.186 1040 A CA 1.538 53.022 52.037 -0.922 0.000 0.620 1040 A CB -0.437 17.940 19.000 -1.039 0.000 0.822 1040 A HN 0.536 nan 8.150 nan 0.000 0.443 1041 R N -1.030 119.328 120.500 -0.237 0.000 2.189 1041 R HA -0.036 4.306 4.340 0.003 0.000 0.218 1041 R C 2.062 178.303 176.300 -0.099 0.000 1.074 1041 R CA 1.474 57.489 56.100 -0.142 0.000 0.991 1041 R CB -0.447 29.786 30.300 -0.113 0.000 0.883 1041 R HN 0.508 nan 8.270 nan 0.000 0.457 1042 T N 0.785 115.287 114.554 -0.086 0.000 2.812 1042 T HA -0.143 4.209 4.350 0.003 0.000 0.264 1042 T C 1.654 176.340 174.700 -0.024 0.000 1.042 1042 T CA 1.065 63.141 62.100 -0.041 0.000 1.140 1042 T CB -0.055 68.812 68.868 -0.003 0.000 0.870 1042 T HN 0.275 nan 8.240 nan 0.000 0.445 1043 E N 1.706 121.898 120.200 -0.013 0.000 2.077 1043 E HA -0.150 4.202 4.350 0.003 0.000 0.193 1043 E C 2.431 179.028 176.600 -0.006 0.000 0.989 1043 E CA 1.613 58.025 56.400 0.020 0.000 0.800 1043 E CB -0.280 29.474 29.700 0.091 0.000 0.746 1043 E HN 0.559 nan 8.360 nan 0.000 0.452 1044 S N 0.469 116.145 115.700 -0.040 0.000 2.400 1044 S HA -0.142 4.330 4.470 0.003 0.000 0.232 1044 S C 2.157 176.744 174.600 -0.021 0.000 1.025 1044 S CA 1.604 59.785 58.200 -0.031 0.000 0.993 1044 S CB -0.754 62.413 63.200 -0.055 0.000 0.808 1044 S HN 0.242 nan 8.310 nan 0.000 0.478 1045 V N -1.352 118.545 119.914 -0.029 0.000 3.406 1045 V HA 0.590 4.712 4.120 0.003 0.000 0.263 1045 V C 1.015 177.093 176.094 -0.026 0.000 1.172 1045 V CA -0.150 62.136 62.300 -0.024 0.000 1.140 1045 V CB -1.324 30.481 31.823 -0.031 0.000 0.784 1045 V HN 0.648 nan 8.190 nan 0.000 0.467 1046 A N 1.686 124.485 122.820 -0.035 0.000 2.371 1046 A HA 0.457 4.779 4.320 0.003 0.000 0.257 1046 A C 0.378 177.943 177.584 -0.032 0.000 1.089 1046 A CA -0.413 51.585 52.037 -0.066 0.000 0.794 1046 A CB -0.030 18.923 19.000 -0.078 0.000 1.029 1046 A HN 0.560 nan 8.150 nan 0.000 0.488 1047 N N 0.272 118.941 118.700 -0.051 0.000 2.434 1047 N HA 0.346 5.088 4.740 0.003 0.000 0.266 1047 N C 0.499 176.054 175.510 0.075 0.000 1.223 1047 N CA 0.249 53.332 53.050 0.054 0.000 0.972 1047 N CB 0.875 39.461 38.487 0.164 0.000 1.207 1047 N HN 0.791 nan 8.380 nan 0.000 0.525 1048 G N -1.514 107.368 108.800 0.137 0.000 2.340 1048 G HA2 0.355 4.317 3.960 0.003 0.000 0.245 1048 G HA3 0.355 4.317 3.960 0.003 0.000 0.245 1048 G C 0.967 176.053 174.900 0.309 0.000 1.294 1048 G CA 0.362 45.542 45.100 0.134 0.000 0.896 1048 G HN 0.770 nan 8.290 nan 0.000 0.522 1049 G N 0.674 109.618 108.800 0.241 0.000 2.179 1049 G HA2 -0.263 3.699 3.960 0.003 0.000 0.260 1049 G HA3 -0.263 3.699 3.960 0.003 0.000 0.260 1049 G C 0.414 175.450 174.900 0.227 0.000 0.977 1049 G CA 0.731 46.024 45.100 0.322 0.000 0.641 1049 G HN 0.940 nan 8.290 nan 0.000 0.533 1050 Q N -0.134 119.625 119.800 -0.067 0.000 2.274 1050 Q HA 0.645 4.986 4.340 0.003 0.000 0.260 1050 Q C -0.768 175.068 176.000 -0.274 0.000 0.974 1050 Q CA -0.759 54.717 55.803 -0.544 0.000 0.876 1050 Q CB 2.020 30.132 28.738 -1.042 0.000 1.297 1050 Q HN 0.221 nan 8.270 nan 0.000 0.446 1051 V N 5.329 125.094 119.914 -0.247 0.000 2.407 1051 V HA 0.415 4.537 4.120 0.003 0.000 0.291 1051 V C -0.534 175.487 176.094 -0.122 0.000 1.018 1051 V CA -0.616 61.602 62.300 -0.136 0.000 0.842 1051 V CB 1.376 33.142 31.823 -0.095 0.000 0.996 1051 V HN 0.717 nan 8.190 nan 0.000 0.426 1052 L N 5.732 126.907 121.223 -0.080 0.000 2.329 1052 L HA 0.689 5.031 4.340 0.003 0.000 0.279 1052 L C -0.418 176.465 176.870 0.022 0.000 1.014 1052 L CA -0.462 54.352 54.840 -0.044 0.000 0.814 1052 L CB 1.972 44.000 42.059 -0.051 0.000 1.257 1052 L HN 0.504 nan 8.230 nan 0.000 0.424 1053 M N 1.983 121.624 119.600 0.068 0.000 2.393 1053 M HA 0.373 4.855 4.480 0.003 0.000 0.316 1053 M C 0.068 176.496 176.300 0.213 0.000 1.087 1053 M CA -0.666 54.713 55.300 0.131 0.000 0.937 1053 M CB 2.430 35.111 32.600 0.135 0.000 1.668 1053 M HN 0.634 nan 8.290 nan 0.000 0.438 1054 T N -3.158 111.539 114.554 0.238 0.000 2.788 1054 T HA 0.126 4.478 4.350 0.003 0.000 0.287 1054 T C 0.898 175.835 174.700 0.395 0.000 1.007 1054 T CA -0.093 62.184 62.100 0.295 0.000 1.005 1054 T CB 0.748 69.805 68.868 0.315 0.000 1.012 1054 T HN 0.817 nan 8.240 nan 0.000 0.530 1055 H N 1.185 120.478 119.070 0.371 0.000 2.352 1055 H HA -0.030 4.528 4.556 0.003 0.000 0.299 1055 H C 2.292 177.744 175.328 0.207 0.000 1.097 1055 H CA 2.370 58.637 56.048 0.365 0.000 1.311 1055 H CB -0.736 29.236 29.762 0.350 0.000 1.377 1055 H HN 0.783 nan 8.280 nan 0.000 0.504 1056 A N 0.705 123.675 122.820 0.250 0.000 1.908 1056 A HA -0.109 4.213 4.320 0.003 0.000 0.218 1056 A C 2.615 180.201 177.584 0.003 0.000 1.181 1056 A CA 1.872 53.982 52.037 0.121 0.000 0.627 1056 A CB -1.362 17.772 19.000 0.222 0.000 0.818 1056 A HN 0.635 nan 8.150 nan 0.000 0.445 1057 A N -1.574 121.290 122.820 0.073 0.000 1.873 1057 A HA -0.061 4.261 4.320 0.003 0.000 0.215 1057 A C 2.161 179.752 177.584 0.012 0.000 1.186 1057 A CA 1.629 53.681 52.037 0.025 0.000 0.616 1057 A CB -0.905 18.149 19.000 0.091 0.000 0.823 1057 A HN 0.671 nan 8.150 nan 0.000 0.442 1058 Y N 0.145 120.358 120.300 -0.146 0.000 2.128 1058 Y HA -0.203 4.348 4.550 0.003 0.000 0.284 1058 Y C 2.086 177.803 175.900 -0.305 0.000 1.154 1058 Y CA 2.030 59.969 58.100 -0.268 0.000 1.149 1058 Y CB -0.188 37.945 38.460 -0.545 0.000 0.976 1058 Y HN 0.223 nan 8.280 nan 0.000 0.505 1059 M N -0.886 118.465 119.600 -0.415 0.000 2.619 1059 M HA -0.029 4.452 4.480 0.003 0.000 0.251 1059 M C 1.956 178.092 176.300 -0.274 0.000 1.106 1059 M CA 0.744 55.773 55.300 -0.452 0.000 1.086 1059 M CB -1.073 31.232 32.600 -0.492 0.000 1.465 1059 M HN 0.149 nan 8.290 nan 0.000 0.506 1060 S N 0.351 115.934 115.700 -0.196 0.000 2.461 1060 S HA 0.165 4.637 4.470 0.003 0.000 0.228 1060 S C 1.007 175.527 174.600 -0.133 0.000 1.005 1060 S CA 0.138 58.259 58.200 -0.132 0.000 0.942 1060 S CB 0.006 63.148 63.200 -0.096 0.000 0.776 1060 S HN 0.363 nan 8.310 nan 0.000 0.514 1061 L N 2.214 123.336 121.223 -0.169 0.000 2.464 1061 L HA 0.215 4.556 4.340 0.003 0.000 0.264 1061 L C 0.896 177.631 176.870 -0.225 0.000 1.199 1061 L CA -0.669 54.074 54.840 -0.163 0.000 0.818 1061 L CB 0.373 42.337 42.059 -0.159 0.000 1.102 1061 L HN 0.178 nan 8.230 nan 0.000 0.473 1062 S N 0.411 115.974 115.700 -0.227 0.000 2.614 1062 S HA 0.175 4.647 4.470 0.003 0.000 0.265 1062 S C 1.189 175.642 174.600 -0.244 0.000 1.303 1062 S CA -0.308 57.763 58.200 -0.215 0.000 1.000 1062 S CB 1.304 64.382 63.200 -0.204 0.000 0.935 1062 S HN 0.785 nan 8.310 nan 0.000 0.551 1063 G N -0.008 108.672 108.800 -0.201 0.000 2.442 1063 G HA2 -0.219 3.743 3.960 0.003 0.000 0.219 1063 G HA3 -0.219 3.743 3.960 0.003 0.000 0.219 1063 G C 1.191 175.984 174.900 -0.178 0.000 1.141 1063 G CA 0.919 45.906 45.100 -0.188 0.000 0.763 1063 G HN 0.893 nan 8.290 nan 0.000 0.554 1064 E N 0.282 120.374 120.200 -0.180 0.000 2.077 1064 E HA -0.142 4.210 4.350 0.003 0.000 0.193 1064 E C 1.864 178.319 176.600 -0.242 0.000 0.989 1064 E CA 1.174 57.468 56.400 -0.177 0.000 0.800 1064 E CB -0.012 29.585 29.700 -0.172 0.000 0.746 1064 E HN 0.273 nan 8.360 nan 0.000 0.452 1065 D N 0.156 120.333 120.400 -0.371 0.000 2.117 1065 D HA -0.136 4.506 4.640 0.003 0.000 0.197 1065 D C 2.013 178.163 176.300 -0.250 0.000 0.987 1065 D CA 0.848 54.498 54.000 -0.583 0.000 0.829 1065 D CB -0.183 40.097 40.800 -0.866 0.000 0.961 1065 D HN 0.165 nan 8.370 nan 0.000 0.460 1066 R N 0.417 120.793 120.500 -0.206 0.000 2.120 1066 R HA -0.027 4.315 4.340 0.003 0.000 0.234 1066 R C 1.593 177.888 176.300 -0.009 0.000 1.123 1066 R CA 0.744 56.773 56.100 -0.118 0.000 0.975 1066 R CB -0.129 29.975 30.300 -0.326 0.000 0.866 1066 R HN 0.180 nan 8.270 nan 0.000 0.446 1067 N N 0.838 119.508 118.700 -0.050 0.000 2.459 1067 N HA -0.103 4.639 4.740 0.003 0.000 0.181 1067 N C 1.188 176.706 175.510 0.014 0.000 1.046 1067 N CA 0.867 53.911 53.050 -0.010 0.000 0.904 1067 N CB 0.126 38.592 38.487 -0.034 0.000 0.964 1067 N HN 0.399 nan 8.380 nan 0.000 0.444 1068 Q N -0.068 119.742 119.800 0.016 0.000 2.425 1068 Q HA 0.194 4.536 4.340 0.003 0.000 0.204 1068 Q C 0.031 176.097 176.000 0.110 0.000 0.933 1068 Q CA 0.258 56.099 55.803 0.063 0.000 0.939 1068 Q CB 0.501 29.290 28.738 0.085 0.000 1.044 1068 Q HN 0.294 nan 8.270 nan 0.000 0.513 1069 L N 0.259 121.554 121.223 0.120 0.000 2.334 1069 L HA 0.374 4.715 4.340 0.003 0.000 0.272 1069 L C -0.242 176.687 176.870 0.099 0.000 1.020 1069 L CA -0.935 53.982 54.840 0.127 0.000 0.812 1069 L CB 1.192 43.357 42.059 0.178 0.000 1.264 1069 L HN -0.135 nan 8.230 nan 0.000 0.439 1070 D N 1.789 122.234 120.400 0.074 0.000 2.373 1070 D HA 0.451 5.093 4.640 0.003 0.000 0.227 1070 D C -1.168 175.165 176.300 0.056 0.000 1.091 1070 D CA -0.118 53.917 54.000 0.058 0.000 0.840 1070 D CB 1.445 42.267 40.800 0.037 0.000 1.060 1070 D HN 0.096 nan 8.370 nan 0.000 0.502 1071 V N 2.796 122.746 119.914 0.060 0.000 2.823 1071 V HA 0.525 4.647 4.120 0.003 0.000 0.312 1071 V C 0.207 176.318 176.094 0.028 0.000 1.072 1071 V CA -0.719 61.597 62.300 0.028 0.000 0.937 1071 V CB 2.378 34.186 31.823 -0.024 0.000 1.013 1071 V HN 0.511 nan 8.190 nan 0.000 0.430 1072 T N 2.014 116.575 114.554 0.012 0.000 2.812 1072 T HA 0.436 4.788 4.350 0.003 0.000 0.282 1072 T C -0.021 174.653 174.700 -0.043 0.000 0.990 1072 T CA -0.419 61.685 62.100 0.007 0.000 0.960 1072 T CB 1.302 70.182 68.868 0.021 0.000 0.948 1072 T HN 0.964 nan 8.240 nan 0.000 0.438 1073 T N 1.997 116.517 114.554 -0.056 0.000 2.851 1073 T HA 0.311 4.662 4.350 0.003 0.000 0.298 1073 T C 0.741 175.317 174.700 -0.206 0.000 0.977 1073 T CA -0.609 61.358 62.100 -0.223 0.000 1.126 1073 T CB 0.452 69.238 68.868 -0.137 0.000 0.916 1073 T HN 0.183 nan 8.240 nan 0.000 0.529 1074 L N 2.770 123.816 121.223 -0.295 0.000 2.590 1074 L HA 0.459 4.801 4.340 0.003 0.000 0.227 1074 L C 1.615 178.381 176.870 -0.173 0.000 1.099 1074 L CA 1.243 55.975 54.840 -0.181 0.000 0.872 1074 L CB -1.070 40.896 42.059 -0.156 0.000 1.088 1074 L HN 1.355 nan 8.230 nan 0.000 0.479 1075 G N -0.535 108.116 108.800 -0.248 0.000 2.728 1075 G HA2 0.005 3.967 3.960 0.003 0.000 0.294 1075 G HA3 0.005 3.967 3.960 0.003 0.000 0.294 1075 G C -0.007 174.806 174.900 -0.145 0.000 1.342 1075 G CA -0.567 44.429 45.100 -0.173 0.000 0.866 1075 G HN 0.545 nan 8.290 nan 0.000 0.534 1076 A N -0.206 122.558 122.820 -0.094 0.000 2.520 1076 A HA 0.619 4.941 4.320 0.003 0.000 0.245 1076 A C 0.784 178.334 177.584 -0.057 0.000 1.072 1076 A CA 1.615 53.612 52.037 -0.067 0.000 0.761 1076 A CB 0.019 18.990 19.000 -0.048 0.000 1.004 1076 A HN 1.733 nan 8.150 nan 0.000 0.499 1077 T N 1.984 116.508 114.554 -0.050 0.000 2.886 1077 T HA 0.453 4.804 4.350 0.003 0.000 0.292 1077 T C -0.481 174.199 174.700 -0.034 0.000 1.012 1077 T CA -0.463 61.611 62.100 -0.042 0.000 0.982 1077 T CB 1.524 70.364 68.868 -0.048 0.000 1.018 1077 T HN 0.436 nan 8.240 nan 0.000 0.451 1078 V N 4.164 124.061 119.914 -0.028 0.000 2.432 1078 V HA 0.351 4.473 4.120 0.003 0.000 0.271 1078 V C -0.504 175.572 176.094 -0.029 0.000 1.046 1078 V CA -0.598 61.687 62.300 -0.025 0.000 0.945 1078 V CB 0.668 32.479 31.823 -0.020 0.000 0.992 1078 V HN 0.575 nan 8.190 nan 0.000 0.471 1079 L N 5.338 126.541 121.223 -0.033 0.000 2.329 1079 L HA 0.515 4.856 4.340 0.003 0.000 0.279 1079 L C 0.457 177.306 176.870 -0.035 0.000 1.014 1079 L CA -0.318 54.498 54.840 -0.039 0.000 0.814 1079 L CB 1.431 43.459 42.059 -0.053 0.000 1.257 1079 L HN 0.533 nan 8.230 nan 0.000 0.424 1080 R N 1.874 122.353 120.500 -0.035 0.000 2.522 1080 R HA 0.243 4.585 4.340 0.003 0.000 0.284 1080 R C 0.864 177.146 176.300 -0.029 0.000 1.032 1080 R CA 1.161 57.243 56.100 -0.029 0.000 1.049 1080 R CB 0.083 30.366 30.300 -0.029 0.000 0.956 1080 R HN 0.901 nan 8.270 nan 0.000 0.422 1081 G N 2.437 111.224 108.800 -0.021 0.000 2.162 1081 G HA2 -0.258 3.704 3.960 0.003 0.000 0.260 1081 G HA3 -0.258 3.704 3.960 0.003 0.000 0.260 1081 G C -0.244 174.646 174.900 -0.016 0.000 0.976 1081 G CA 0.284 45.374 45.100 -0.016 0.000 0.655 1081 G HN 0.499 nan 8.290 nan 0.000 0.533 1082 V N 0.733 120.634 119.914 -0.021 0.000 2.409 1082 V HA 0.394 4.515 4.120 0.003 0.000 0.291 1082 V C -0.271 175.815 176.094 -0.014 0.000 1.020 1082 V CA -0.777 61.511 62.300 -0.020 0.000 0.848 1082 V CB 1.656 33.458 31.823 -0.034 0.000 0.990 1082 V HN 0.079 nan 8.190 nan 0.000 0.430 1083 P HA -0.056 nan 4.420 nan 0.000 0.214 1083 P C 0.273 177.570 177.300 -0.006 0.000 1.163 1083 P CA 1.077 64.175 63.100 -0.004 0.000 0.883 1083 P CB 0.410 32.111 31.700 0.002 0.000 0.788 1084 E N -0.661 119.536 120.200 -0.006 0.000 2.212 1084 E HA 0.356 4.707 4.350 0.003 0.000 0.270 1084 E C -2.408 174.185 176.600 -0.013 0.000 0.956 1084 E CA -2.515 53.881 56.400 -0.007 0.000 0.825 1084 E CB 0.422 30.121 29.700 -0.003 0.000 1.167 1084 E HN 0.008 nan 8.360 nan 0.000 0.400 1085 P HA 0.001 nan 4.420 nan 0.000 0.269 1085 P C -1.069 176.220 177.300 -0.019 0.000 1.209 1085 P CA -0.025 63.062 63.100 -0.021 0.000 0.776 1085 P CB 0.520 32.205 31.700 -0.024 0.000 0.876 1086 V N 4.604 124.505 119.914 -0.021 0.000 2.384 1086 V HA 0.302 4.424 4.120 0.003 0.000 0.287 1086 V C 0.539 176.629 176.094 -0.006 0.000 1.020 1086 V CA -0.637 61.661 62.300 -0.003 0.000 0.850 1086 V CB 1.310 33.125 31.823 -0.013 0.000 0.987 1086 V HN 0.450 nan 8.190 nan 0.000 0.436 1087 R N 3.902 124.415 120.500 0.022 0.000 2.401 1087 R HA 0.386 4.728 4.340 0.003 0.000 0.299 1087 R C -0.338 175.949 176.300 -0.022 0.000 1.064 1087 R CA -0.180 55.904 56.100 -0.026 0.000 1.000 1087 R CB 0.389 30.705 30.300 0.027 0.000 0.973 1087 R HN 0.500 nan 8.270 nan 0.000 0.438 1088 M N 3.221 122.694 119.600 -0.210 0.000 2.404 1088 M HA 0.337 4.818 4.480 0.003 0.000 0.338 1088 M C -1.484 174.512 176.300 -0.507 0.000 1.150 1088 M CA -0.798 54.391 55.300 -0.186 0.000 1.016 1088 M CB 1.286 33.811 32.600 -0.125 0.000 1.672 1088 M HN 0.382 nan 8.290 nan 0.000 0.448 1089 Y N 1.638 121.878 120.300 -0.099 0.000 2.350 1089 Y HA 0.450 5.001 4.550 0.003 0.000 0.338 1089 Y C -0.249 175.551 175.900 -0.168 0.000 0.961 1089 Y CA -0.744 57.232 58.100 -0.207 0.000 1.100 1089 Y CB 1.520 39.707 38.460 -0.455 0.000 1.179 1089 Y HN 0.526 nan 8.280 nan 0.000 0.454 1090 Q N 3.878 123.645 119.800 -0.055 0.000 2.296 1090 Q HA 0.381 4.723 4.340 0.003 0.000 0.257 1090 Q C -1.419 174.563 176.000 -0.030 0.000 0.942 1090 Q CA -0.984 54.782 55.803 -0.062 0.000 0.939 1090 Q CB 0.966 29.666 28.738 -0.063 0.000 1.198 1090 Q HN 0.742 nan 8.270 nan 0.000 0.429 1091 L N 5.059 126.262 121.223 -0.033 0.000 2.325 1091 L HA 0.228 4.570 4.340 0.003 0.000 0.284 1091 L C -0.790 176.078 176.870 -0.002 0.000 1.089 1091 L CA 0.462 55.295 54.840 -0.011 0.000 0.836 1091 L CB 0.400 42.448 42.059 -0.018 0.000 1.184 1091 L HN 0.638 nan 8.230 nan 0.000 0.444 1092 N N 4.756 123.469 118.700 0.022 0.000 3.178 1092 N HA 0.169 4.910 4.740 0.003 0.000 0.300 1092 N C 1.228 176.743 175.510 0.009 0.000 1.242 1092 N CA 0.355 53.428 53.050 0.038 0.000 1.192 1092 N CB 0.658 39.170 38.487 0.041 0.000 1.463 1092 N HN 0.860 nan 8.380 nan 0.000 0.539 1093 A N 0.752 123.568 122.820 -0.007 0.000 1.933 1093 A HA -0.059 4.263 4.320 0.003 0.000 0.218 1093 A C 0.925 178.481 177.584 -0.047 0.000 1.175 1093 A CA 0.976 52.994 52.037 -0.031 0.000 0.628 1093 A CB 0.334 19.307 19.000 -0.046 0.000 0.814 1093 A HN 0.315 nan 8.150 nan 0.000 0.444 1094 V N 1.459 121.333 119.914 -0.068 0.000 2.320 1094 V HA 0.245 4.367 4.120 0.003 0.000 0.268 1094 V C -2.726 173.292 176.094 -0.126 0.000 1.021 1094 V CA -1.682 60.542 62.300 -0.128 0.000 0.813 1094 V CB 0.921 32.602 31.823 -0.238 0.000 1.054 1094 V HN 0.150 nan 8.190 nan 0.000 0.444 1095 P HA 0.244 nan 4.420 nan 0.000 0.264 1095 P C 1.106 178.347 177.300 -0.100 0.000 1.183 1095 P CA 1.522 64.585 63.100 -0.062 0.000 0.763 1095 P CB 0.661 32.338 31.700 -0.039 0.000 0.807 1096 G N 2.116 110.862 108.800 -0.090 0.000 2.238 1096 G HA2 -0.203 3.758 3.960 0.003 0.000 0.217 1096 G HA3 -0.203 3.758 3.960 0.003 0.000 0.217 1096 G C 0.299 175.105 174.900 -0.157 0.000 0.996 1096 G CA -0.559 44.477 45.100 -0.105 0.000 0.632 1096 G HN 0.530 nan 8.290 nan 0.000 0.503 1097 R N 0.824 121.172 120.500 -0.253 0.000 2.590 1097 R HA 0.440 4.782 4.340 0.003 0.000 0.274 1097 R C -0.033 175.987 176.300 -0.466 0.000 1.061 1097 R CA 0.326 56.177 56.100 -0.414 0.000 1.081 1097 R CB 0.221 30.119 30.300 -0.671 0.000 0.984 1097 R HN 0.474 nan 8.270 nan 0.000 0.448 1098 N N 1.152 119.590 118.700 -0.437 0.000 2.335 1098 N HA 0.464 5.206 4.740 0.003 0.000 0.304 1098 N C -1.350 173.773 175.510 -0.645 0.000 1.135 1098 N CA -0.550 52.261 53.050 -0.398 0.000 0.817 1098 N CB 1.402 39.807 38.487 -0.137 0.000 1.294 1098 N HN 0.235 nan 8.380 nan 0.000 0.497 1099 F N 0.371 120.385 119.950 0.107 0.000 2.620 1099 F HA 0.677 5.206 4.527 0.003 0.000 0.320 1099 F C 0.519 176.343 175.800 0.039 0.000 1.069 1099 F CA -0.986 57.070 58.000 0.092 0.000 0.953 1099 F CB 1.151 40.210 39.000 0.098 0.000 1.322 1099 F HN 0.379 nan 8.300 nan 0.000 0.479 1100 A N 0.750 123.726 122.820 0.259 0.000 2.251 1100 A HA 0.734 5.056 4.320 0.003 0.000 0.278 1100 A C 0.091 177.777 177.584 0.170 0.000 1.206 1100 A CA -0.015 52.127 52.037 0.175 0.000 0.822 1100 A CB -0.325 18.864 19.000 0.314 0.000 1.187 1100 A HN 1.007 nan 8.150 nan 0.000 0.504 1101 A N -0.888 122.017 122.820 0.140 0.000 2.429 1101 A HA 0.481 4.802 4.320 0.003 0.000 0.242 1101 A C 0.357 177.995 177.584 0.090 0.000 1.088 1101 A CA -0.291 51.805 52.037 0.098 0.000 0.784 1101 A CB -0.372 18.680 19.000 0.087 0.000 1.038 1101 A HN 0.754 nan 8.150 nan 0.000 0.501 1102 L N 0.574 121.825 121.223 0.047 0.000 2.483 1102 L HA 0.075 4.417 4.340 0.003 0.000 0.276 1102 L C 0.986 177.872 176.870 0.028 0.000 1.213 1102 L CA 0.112 54.965 54.840 0.022 0.000 0.843 1102 L CB 0.222 42.276 42.059 -0.009 0.000 1.107 1102 L HN 0.728 nan 8.230 nan 0.000 0.487 1103 R N 2.315 122.827 120.500 0.020 0.000 4.886 1103 R HA 0.105 4.447 4.340 0.003 0.000 0.181 1103 R C -0.608 175.692 176.300 -0.001 0.000 1.989 1103 R CA -0.431 55.677 56.100 0.014 0.000 1.623 1103 R CB -0.550 29.757 30.300 0.011 0.000 1.383 1103 R HN 0.267 nan 8.270 nan 0.000 0.847 1104 L N 0.376 121.599 121.223 0.000 0.000 2.464 1104 L HA 0.094 4.436 4.340 0.003 0.000 0.264 1104 L C 1.955 178.820 176.870 -0.009 0.000 1.199 1104 L CA 0.885 55.720 54.840 -0.008 0.000 0.818 1104 L CB 0.196 42.251 42.059 -0.007 0.000 1.102 1104 L HN 0.507 nan 8.230 nan 0.000 0.473 1105 D N 0.946 121.337 120.400 -0.013 0.000 2.116 1105 D HA 0.138 4.779 4.640 0.003 0.000 0.193 1105 D C 1.045 177.338 176.300 -0.013 0.000 0.998 1105 D CA 2.539 56.530 54.000 -0.015 0.000 0.836 1105 D CB -0.101 40.690 40.800 -0.016 0.000 0.951 1105 D HN 0.723 nan 8.370 nan 0.000 0.449 1106 R N 0.000 120.495 120.500 -0.009 0.000 2.786 1106 R HA 0.000 4.342 4.340 0.003 0.000 0.208 1106 R CA 0.000 56.096 56.100 -0.008 0.000 0.921 1106 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 1106 R HN 0.000 nan 8.270 nan 0.000 0.535