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 3cob_1_C DATA FIRST_RESID 887 DATA SEQUENCE KGKIRVYCRL RPLCEKEIIA KERNAIRSVD EFTVEHLWKD DKAKQHMYDR DATA SEQUENCE VFDGNATQDD VFEDTKYLVQ SAVDGYNVCI FAYGQTGSGK TFTIYGADSN DATA SEQUENCE PGLTPRAMSE LFRIMKKDSN KFSFSLKAYM VELYQDTLVD LLLPKQAKRL DATA SEQUENCE KLDIKKDSKG MVSVENVTVV SISTYEELKT IIQRGSEQRH TTGTLMNEQS DATA SEQUENCE SRSHLIVSVI IESTNLQTQA IARGKLSFVD LAGSERVXXX XXXXXXXXXX DATA SEQUENCE XSINKSLSAL GDVISALSSG NQHIPYRNHK LTMLMSDSLG GNAKTLMFVN DATA SEQUENCE ISPAESNLDE THNSLTYASR VRSIVNDPSK NVSSKEVARL KKLVSXXXXX DATA SEQUENCE XXXXXXXEEL EEIQDE 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 887 K HA 0.000 nan 4.320 nan 0.000 0.191 887 K C 0.000 176.597 176.600 -0.006 0.000 0.988 887 K CA 0.000 56.290 56.287 0.005 0.000 0.838 887 K CB 0.000 32.505 32.500 0.008 0.000 1.064 888 G N 1.448 110.243 108.800 -0.008 0.000 2.437 888 G HA2 0.463 4.422 3.960 -0.001 0.000 0.315 888 G HA3 0.463 4.422 3.960 -0.001 0.000 0.315 888 G C -1.143 173.745 174.900 -0.020 0.000 1.210 888 G CA -0.286 44.800 45.100 -0.023 0.000 0.943 888 G HN 0.206 nan 8.290 nan 0.000 0.471 889 K N 1.961 122.347 120.400 -0.024 0.000 2.270 889 K HA 0.274 4.594 4.320 -0.001 0.000 0.276 889 K C 0.392 176.978 176.600 -0.024 0.000 1.023 889 K CA -0.302 55.972 56.287 -0.021 0.000 0.955 889 K CB 1.306 33.790 32.500 -0.025 0.000 0.975 889 K HN 0.404 nan 8.250 nan 0.000 0.471 890 I N 3.789 124.350 120.570 -0.016 0.000 2.556 890 I HA 0.033 4.203 4.170 -0.001 0.000 0.284 890 I C 0.502 176.592 176.117 -0.045 0.000 1.114 890 I CA -0.045 61.244 61.300 -0.019 0.000 1.418 890 I CB 0.631 38.641 38.000 0.016 0.000 1.394 890 I HN 0.378 nan 8.210 nan 0.000 0.552 891 R N 4.273 124.717 120.500 -0.093 0.000 2.459 891 R HA 0.587 4.926 4.340 -0.001 0.000 0.281 891 R C -1.046 175.112 176.300 -0.236 0.000 1.050 891 R CA -0.328 55.682 56.100 -0.150 0.000 1.055 891 R CB 1.308 31.476 30.300 -0.221 0.000 1.045 891 R HN 0.374 nan 8.270 nan 0.000 0.495 892 V N 3.892 123.702 119.914 -0.174 0.000 2.577 892 V HA 0.371 4.490 4.120 -0.001 0.000 0.303 892 V C -1.302 174.736 176.094 -0.094 0.000 1.042 892 V CA -0.810 61.376 62.300 -0.189 0.000 0.872 892 V CB 1.485 33.292 31.823 -0.027 0.000 0.998 892 V HN 0.550 nan 8.190 nan 0.000 0.423 893 Y N 2.536 122.588 120.300 -0.413 0.000 2.352 893 Y HA 0.578 5.127 4.550 -0.001 0.000 0.339 893 Y C 0.293 175.939 175.900 -0.423 0.000 0.992 893 Y CA -1.502 56.314 58.100 -0.473 0.000 1.100 893 Y CB 1.750 39.733 38.460 -0.795 0.000 1.192 893 Y HN 0.707 nan 8.280 nan 0.000 0.458 894 C N 5.945 125.152 119.300 -0.156 0.000 2.329 894 C HA 0.737 5.196 4.460 -0.001 0.000 0.329 894 C C -0.134 174.915 174.990 0.098 0.000 1.275 894 C CA -0.661 58.260 59.018 -0.162 0.000 1.726 894 C CB -0.041 27.501 27.740 -0.331 0.000 2.291 894 C HN 0.968 nan 8.230 nan 0.000 0.514 895 R N 5.602 126.231 120.500 0.215 0.000 2.360 895 R HA 0.605 4.944 4.340 -0.001 0.000 0.318 895 R C -1.517 174.891 176.300 0.180 0.000 0.950 895 R CA -0.542 55.756 56.100 0.329 0.000 0.837 895 R CB 0.876 31.438 30.300 0.437 0.000 1.165 895 R HN 0.890 nan 8.270 nan 0.000 0.458 896 L N 5.759 127.073 121.223 0.152 0.000 2.275 896 L HA 0.485 4.824 4.340 -0.001 0.000 0.288 896 L C 0.151 177.062 176.870 0.069 0.000 1.046 896 L CA -0.591 54.301 54.840 0.087 0.000 0.805 896 L CB 1.104 43.207 42.059 0.073 0.000 1.193 896 L HN 0.658 nan 8.230 nan 0.000 0.426 897 R N 4.777 125.292 120.500 0.025 0.000 2.643 897 R HA 0.669 5.009 4.340 -0.001 0.000 0.272 897 R C -2.739 173.545 176.300 -0.027 0.000 0.995 897 R CA -1.816 54.269 56.100 -0.025 0.000 1.032 897 R CB 0.873 31.122 30.300 -0.085 0.000 1.126 897 R HN 0.249 nan 8.270 nan 0.000 0.505 898 P HA 0.103 nan 4.420 nan 0.000 0.276 898 P C -0.333 176.942 177.300 -0.041 0.000 1.252 898 P CA -0.586 62.496 63.100 -0.031 0.000 0.802 898 P CB 0.756 32.437 31.700 -0.032 0.000 1.035 899 L N 0.813 122.021 121.223 -0.025 0.000 2.525 899 L HA -0.007 4.332 4.340 -0.001 0.000 0.278 899 L C 1.260 178.107 176.870 -0.039 0.000 1.218 899 L CA -0.126 54.699 54.840 -0.026 0.000 0.878 899 L CB -0.308 41.744 42.059 -0.012 0.000 1.127 899 L HN 0.563 nan 8.230 nan 0.000 0.492 900 C N 0.766 120.039 119.300 -0.044 0.000 2.347 900 C HA 0.295 4.755 4.460 -0.001 0.000 0.366 900 C C 1.597 176.567 174.990 -0.034 0.000 1.241 900 C CA -0.839 58.149 59.018 -0.051 0.000 2.360 900 C CB 0.832 28.534 27.740 -0.063 0.000 2.290 900 C HN 0.979 nan 8.230 nan 0.000 0.587 901 E N 0.575 120.756 120.200 -0.032 0.000 2.086 901 E HA -0.239 4.110 4.350 -0.001 0.000 0.200 901 E C 1.966 178.554 176.600 -0.019 0.000 1.012 901 E CA 1.736 58.123 56.400 -0.022 0.000 0.812 901 E CB -0.184 29.504 29.700 -0.020 0.000 0.743 901 E HN 0.667 nan 8.360 nan 0.000 0.453 902 K N 0.843 121.230 120.400 -0.022 0.000 2.057 902 K HA -0.180 4.140 4.320 -0.001 0.000 0.207 902 K C 2.141 178.732 176.600 -0.015 0.000 1.049 902 K CA 1.433 57.709 56.287 -0.019 0.000 0.931 902 K CB -0.107 32.379 32.500 -0.023 0.000 0.714 902 K HN 0.192 nan 8.250 nan 0.000 0.440 903 E N 0.718 120.908 120.200 -0.017 0.000 2.106 903 E HA -0.129 4.220 4.350 -0.001 0.000 0.192 903 E C 2.059 178.655 176.600 -0.007 0.000 0.984 903 E CA 0.807 57.200 56.400 -0.011 0.000 0.806 903 E CB -0.071 29.622 29.700 -0.013 0.000 0.750 903 E HN 0.247 nan 8.360 nan 0.000 0.458 904 I N 1.079 121.643 120.570 -0.009 0.000 2.179 904 I HA -0.251 3.918 4.170 -0.001 0.000 0.242 904 I C 2.018 178.133 176.117 -0.004 0.000 1.088 904 I CA 0.723 62.020 61.300 -0.005 0.000 1.357 904 I CB -0.073 37.922 38.000 -0.008 0.000 1.051 904 I HN 0.158 nan 8.210 nan 0.000 0.409 905 I N 0.784 121.351 120.570 -0.006 0.000 2.614 905 I HA -0.162 4.008 4.170 -0.001 0.000 0.258 905 I C 2.299 178.414 176.117 -0.003 0.000 1.189 905 I CA 1.035 62.332 61.300 -0.005 0.000 1.462 905 I CB -1.376 36.620 38.000 -0.007 0.000 1.092 905 I HN 0.159 nan 8.210 nan 0.000 0.442 906 A N 0.038 122.856 122.820 -0.003 0.000 2.307 906 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 906 A C 1.147 178.732 177.584 0.002 0.000 1.228 906 A CA -0.154 51.882 52.037 -0.001 0.000 0.857 906 A CB -0.331 18.667 19.000 -0.002 0.000 0.897 906 A HN 0.361 nan 8.150 nan 0.000 0.495 907 K N 0.442 120.844 120.400 0.002 0.000 3.069 907 K HA -0.141 4.178 4.320 -0.001 0.000 0.267 907 K C -0.703 175.902 176.600 0.008 0.000 1.082 907 K CA 0.852 57.142 56.287 0.005 0.000 0.782 907 K CB -1.088 31.415 32.500 0.005 0.000 1.230 907 K HN 0.647 nan 8.250 nan 0.000 0.488 908 E N 1.263 121.467 120.200 0.008 0.000 2.373 908 E HA 0.130 4.479 4.350 -0.001 0.000 0.263 908 E C 0.594 177.203 176.600 0.015 0.000 1.073 908 E CA 0.019 56.426 56.400 0.012 0.000 0.894 908 E CB 0.863 30.568 29.700 0.009 0.000 1.008 908 E HN 0.362 nan 8.360 nan 0.000 0.420 909 R N 0.776 121.290 120.500 0.023 0.000 2.854 909 R HA 0.431 4.770 4.340 -0.001 0.000 0.271 909 R C -0.536 175.784 176.300 0.034 0.000 0.996 909 R CA -0.864 55.252 56.100 0.026 0.000 0.961 909 R CB 0.649 30.967 30.300 0.029 0.000 1.182 909 R HN 0.106 nan 8.270 nan 0.000 0.479 910 N N 0.276 118.996 118.700 0.034 0.000 2.440 910 N HA 0.116 4.856 4.740 -0.001 0.000 0.265 910 N C -0.015 175.532 175.510 0.061 0.000 1.239 910 N CA 0.593 53.669 53.050 0.042 0.000 0.909 910 N CB 1.530 40.041 38.487 0.038 0.000 1.066 910 N HN 0.733 nan 8.380 nan 0.000 0.474 911 A N 2.895 125.759 122.820 0.074 0.000 2.127 911 A HA 0.232 4.552 4.320 -0.001 0.000 0.204 911 A C 0.411 178.084 177.584 0.148 0.000 1.243 911 A CA 0.191 52.295 52.037 0.111 0.000 0.887 911 A CB 0.203 19.273 19.000 0.115 0.000 0.933 911 A HN 0.595 nan 8.150 nan 0.000 0.479 912 I N -0.361 120.278 120.570 0.115 0.000 2.493 912 I HA 0.769 4.938 4.170 -0.001 0.000 0.298 912 I C -0.633 175.547 176.117 0.105 0.000 0.998 912 I CA -0.859 60.525 61.300 0.140 0.000 1.137 912 I CB 1.687 39.739 38.000 0.086 0.000 1.310 912 I HN 0.131 nan 8.210 nan 0.000 0.445 913 R N 3.913 124.481 120.500 0.114 0.000 2.739 913 R HA 0.558 4.898 4.340 -0.001 0.000 0.271 913 R C -1.497 174.850 176.300 0.078 0.000 1.010 913 R CA -0.604 55.544 56.100 0.081 0.000 0.897 913 R CB 1.841 32.181 30.300 0.067 0.000 1.236 913 R HN 0.629 nan 8.270 nan 0.000 0.466 914 S N 1.072 116.806 115.700 0.056 0.000 2.523 914 S HA 0.284 4.754 4.470 -0.001 0.000 0.275 914 S C 0.574 175.191 174.600 0.028 0.000 1.281 914 S CA -0.558 57.667 58.200 0.042 0.000 1.050 914 S CB 0.849 64.061 63.200 0.020 0.000 0.937 914 S HN 0.375 nan 8.310 nan 0.000 0.492 915 V N 3.825 123.755 119.914 0.026 0.000 2.575 915 V HA 0.174 4.294 4.120 -0.001 0.000 0.242 915 V C 0.483 176.575 176.094 -0.004 0.000 1.045 915 V CA 1.435 63.745 62.300 0.016 0.000 1.065 915 V CB -0.502 31.335 31.823 0.022 0.000 0.717 915 V HN 0.991 nan 8.190 nan 0.000 0.467 916 D N -2.552 117.835 120.400 -0.023 0.000 2.768 916 D HA 0.117 4.756 4.640 -0.001 0.000 0.327 916 D C 0.426 176.619 176.300 -0.179 0.000 1.302 916 D CA -0.608 53.348 54.000 -0.073 0.000 0.897 916 D CB 0.660 41.442 40.800 -0.030 0.000 1.420 916 D HN -0.104 nan 8.370 nan 0.000 0.494 917 E N -1.418 118.564 120.200 -0.364 0.000 2.396 917 E HA -0.026 4.323 4.350 -0.001 0.000 0.200 917 E C 0.263 176.328 176.600 -0.892 0.000 1.023 917 E CA 1.155 57.136 56.400 -0.697 0.000 0.857 917 E CB -0.153 28.994 29.700 -0.922 0.000 0.775 917 E HN 0.432 nan 8.360 nan 0.000 0.525 918 F N -2.023 117.881 119.950 -0.077 0.000 2.817 918 F HA 0.219 4.745 4.527 -0.001 0.000 0.333 918 F C 0.249 176.038 175.800 -0.019 0.000 1.085 918 F CA -0.395 57.572 58.000 -0.056 0.000 1.170 918 F CB 1.197 40.162 39.000 -0.059 0.000 1.066 918 F HN -0.272 nan 8.300 nan 0.000 0.564 919 T N 1.289 115.908 114.554 0.109 0.000 2.841 919 T HA 0.597 4.946 4.350 -0.001 0.000 0.283 919 T C -0.879 173.879 174.700 0.096 0.000 1.000 919 T CA -0.542 61.613 62.100 0.090 0.000 0.977 919 T CB 2.772 71.674 68.868 0.057 0.000 0.979 919 T HN -0.205 nan 8.240 nan 0.000 0.446 920 V N 2.211 122.217 119.914 0.153 0.000 2.815 920 V HA 0.797 4.916 4.120 -0.001 0.000 0.314 920 V C -0.720 175.483 176.094 0.182 0.000 1.064 920 V CA -0.580 61.825 62.300 0.175 0.000 0.952 920 V CB 1.925 33.890 31.823 0.237 0.000 1.020 920 V HN 0.997 nan 8.190 nan 0.000 0.439 921 E N 4.284 124.586 120.200 0.171 0.000 2.392 921 E HA 0.579 4.928 4.350 -0.001 0.000 0.279 921 E C -1.963 174.751 176.600 0.191 0.000 0.964 921 E CA -0.634 55.843 56.400 0.129 0.000 0.777 921 E CB 2.031 31.757 29.700 0.044 0.000 1.249 921 E HN 0.987 nan 8.360 nan 0.000 0.449 922 H N 2.214 121.354 119.070 0.118 0.000 3.068 922 H HA 0.306 4.861 4.556 -0.001 0.000 0.342 922 H C -1.462 173.971 175.328 0.175 0.000 1.284 922 H CA -0.925 55.203 56.048 0.135 0.000 1.181 922 H CB 0.442 30.287 29.762 0.139 0.000 1.898 922 H HN 0.459 nan 8.280 nan 0.000 0.540 923 L N 2.182 123.554 121.223 0.248 0.000 2.360 923 L HA 0.152 4.492 4.340 -0.001 0.000 0.276 923 L C 0.104 177.272 176.870 0.497 0.000 1.121 923 L CA 0.012 54.990 54.840 0.230 0.000 0.845 923 L CB 0.593 42.760 42.059 0.180 0.000 1.143 923 L HN 0.462 nan 8.230 nan 0.000 0.452 924 W N 3.736 125.084 121.300 0.080 0.000 2.941 924 W HA 0.318 4.977 4.660 -0.001 0.000 0.352 924 W C -0.209 176.344 176.519 0.056 0.000 1.368 924 W CA -1.253 56.172 57.345 0.134 0.000 1.232 924 W CB 1.270 30.804 29.460 0.123 0.000 1.586 924 W HN 0.351 nan 8.180 nan 0.000 0.649 925 K N 2.449 122.560 120.400 -0.481 0.000 2.543 925 K HA -0.161 4.158 4.320 -0.001 0.000 0.279 925 K C -0.463 176.052 176.600 -0.141 0.000 1.001 925 K CA 1.173 57.208 56.287 -0.419 0.000 1.088 925 K CB 0.039 32.158 32.500 -0.634 0.000 0.863 925 K HN 0.396 nan 8.250 nan 0.000 0.488 926 D N 2.109 122.446 120.400 -0.105 0.000 3.051 926 D HA -0.132 4.508 4.640 -0.001 0.000 0.218 926 D C -0.740 175.554 176.300 -0.010 0.000 1.129 926 D CA 1.165 55.136 54.000 -0.047 0.000 0.868 926 D CB -1.068 39.710 40.800 -0.036 0.000 1.100 926 D HN 0.814 nan 8.370 nan 0.000 0.429 927 D N -1.654 118.748 120.400 0.003 0.000 2.911 927 D HA -0.224 4.415 4.640 -0.001 0.000 0.227 927 D C 0.154 176.481 176.300 0.043 0.000 1.164 927 D CA 1.216 55.234 54.000 0.030 0.000 0.782 927 D CB -0.781 40.030 40.800 0.018 0.000 1.094 927 D HN 0.370 nan 8.370 nan 0.000 0.425 928 K N 0.166 120.601 120.400 0.059 0.000 2.174 928 K HA 0.655 4.975 4.320 -0.001 0.000 0.275 928 K C 0.188 176.825 176.600 0.063 0.000 1.015 928 K CA -0.227 56.094 56.287 0.057 0.000 0.933 928 K CB 1.194 33.734 32.500 0.067 0.000 1.025 928 K HN 0.129 nan 8.250 nan 0.000 0.463 929 A N 3.092 125.924 122.820 0.020 0.000 2.309 929 A HA 0.247 4.567 4.320 -0.001 0.000 0.290 929 A C -0.449 177.088 177.584 -0.078 0.000 1.206 929 A CA -0.242 51.783 52.037 -0.020 0.000 0.850 929 A CB -0.002 18.989 19.000 -0.014 0.000 1.118 929 A HN 0.596 nan 8.150 nan 0.000 0.523 930 K N 2.992 123.270 120.400 -0.203 0.000 2.274 930 K HA 0.381 4.701 4.320 -0.001 0.000 0.262 930 K C -0.560 175.829 176.600 -0.352 0.000 0.961 930 K CA -0.330 55.781 56.287 -0.293 0.000 0.833 930 K CB 0.872 33.161 32.500 -0.352 0.000 1.102 930 K HN 0.889 nan 8.250 nan 0.000 0.436 931 Q N 1.969 121.578 119.800 -0.319 0.000 2.257 931 Q HA 0.318 4.657 4.340 -0.001 0.000 0.262 931 Q C -1.244 174.489 176.000 -0.446 0.000 0.997 931 Q CA -0.909 54.748 55.803 -0.244 0.000 0.873 931 Q CB 1.885 30.542 28.738 -0.136 0.000 1.312 931 Q HN 0.585 nan 8.270 nan 0.000 0.450 932 H N 0.380 119.406 119.070 -0.073 0.000 2.782 932 H HA 0.363 4.919 4.556 -0.001 0.000 0.347 932 H C -1.158 173.984 175.328 -0.310 0.000 1.038 932 H CA -0.600 55.342 56.048 -0.177 0.000 1.255 932 H CB 1.135 30.889 29.762 -0.013 0.000 1.623 932 H HN 0.327 nan 8.280 nan 0.000 0.525 933 M N 2.889 122.245 119.600 -0.407 0.000 2.363 933 M HA 0.421 4.900 4.480 -0.001 0.000 0.343 933 M C -1.238 174.624 176.300 -0.731 0.000 1.165 933 M CA -0.395 54.688 55.300 -0.362 0.000 1.046 933 M CB 0.728 33.208 32.600 -0.199 0.000 1.648 933 M HN 0.501 nan 8.290 nan 0.000 0.452 934 Y N -0.727 119.625 120.300 0.085 0.000 2.644 934 Y HA 0.317 4.867 4.550 -0.001 0.000 0.338 934 Y C 0.845 176.831 175.900 0.143 0.000 1.119 934 Y CA -1.022 57.121 58.100 0.073 0.000 1.060 934 Y CB 1.026 39.513 38.460 0.045 0.000 1.294 934 Y HN 0.689 nan 8.280 nan 0.000 0.472 935 D N 0.312 120.907 120.400 0.324 0.000 2.263 935 D HA -0.088 4.551 4.640 -0.001 0.000 0.208 935 D C 0.479 177.022 176.300 0.405 0.000 0.971 935 D CA 1.546 55.738 54.000 0.320 0.000 0.867 935 D CB 0.376 41.347 40.800 0.284 0.000 0.929 935 D HN 0.236 nan 8.370 nan 0.000 0.492 936 R N -0.708 119.909 120.500 0.197 0.000 2.687 936 R HA 0.341 4.680 4.340 -0.001 0.000 0.265 936 R C -2.360 173.712 176.300 -0.380 0.000 1.048 936 R CA -0.587 55.308 56.100 -0.341 0.000 0.884 936 R CB 1.017 30.765 30.300 -0.920 0.000 1.258 936 R HN -0.254 nan 8.270 nan 0.000 0.469 937 V N 3.998 123.579 119.914 -0.556 0.000 2.577 937 V HA 0.574 4.693 4.120 -0.001 0.000 0.303 937 V C -1.121 174.675 176.094 -0.496 0.000 1.042 937 V CA -0.580 61.504 62.300 -0.361 0.000 0.872 937 V CB 1.606 33.369 31.823 -0.100 0.000 0.998 937 V HN 0.590 nan 8.190 nan 0.000 0.423 938 F N 4.325 124.244 119.950 -0.051 0.000 2.415 938 F HA 0.437 4.963 4.527 -0.001 0.000 0.348 938 F C 0.833 176.633 175.800 0.001 0.000 1.119 938 F CA -1.066 56.917 58.000 -0.028 0.000 1.069 938 F CB 1.021 40.035 39.000 0.024 0.000 1.124 938 F HN 0.656 nan 8.300 nan 0.000 0.472 939 D N 1.422 121.920 120.400 0.163 0.000 2.384 939 D HA 0.065 4.704 4.640 -0.001 0.000 0.244 939 D C 1.327 177.690 176.300 0.106 0.000 1.251 939 D CA -0.220 53.840 54.000 0.099 0.000 0.961 939 D CB 0.882 41.717 40.800 0.059 0.000 1.116 939 D HN 0.641 nan 8.370 nan 0.000 0.484 940 G N -0.300 108.538 108.800 0.065 0.000 2.498 940 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.219 940 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.219 940 G C 1.053 175.975 174.900 0.037 0.000 1.119 940 G CA 0.079 45.204 45.100 0.041 0.000 0.766 940 G HN 0.515 nan 8.290 nan 0.000 0.552 941 N N 0.766 119.496 118.700 0.049 0.000 2.336 941 N HA 0.159 4.899 4.740 -0.001 0.000 0.189 941 N C 0.800 176.347 175.510 0.062 0.000 1.113 941 N CA 0.204 53.281 53.050 0.045 0.000 0.858 941 N CB 0.530 39.039 38.487 0.036 0.000 0.970 941 N HN 0.256 nan 8.380 nan 0.000 0.471 942 A N 1.497 124.370 122.820 0.089 0.000 2.451 942 A HA 0.277 4.596 4.320 -0.001 0.000 0.266 942 A C 1.024 178.640 177.584 0.054 0.000 1.119 942 A CA -0.313 51.780 52.037 0.095 0.000 0.786 942 A CB -0.106 18.997 19.000 0.172 0.000 1.061 942 A HN 0.255 nan 8.150 nan 0.000 0.503 943 T N 0.892 115.470 114.554 0.039 0.000 2.816 943 T HA 0.210 4.559 4.350 -0.001 0.000 0.282 943 T C 1.019 175.715 174.700 -0.006 0.000 0.993 943 T CA -0.424 61.701 62.100 0.041 0.000 0.994 943 T CB 0.597 69.485 68.868 0.034 0.000 1.025 943 T HN 0.603 nan 8.240 nan 0.000 0.529 944 Q N 0.509 120.302 119.800 -0.013 0.000 2.096 944 Q HA -0.169 4.170 4.340 -0.001 0.000 0.204 944 Q C 1.935 177.907 176.000 -0.048 0.000 0.982 944 Q CA 2.341 58.087 55.803 -0.094 0.000 0.850 944 Q CB -0.760 27.871 28.738 -0.178 0.000 0.901 944 Q HN 0.984 nan 8.270 nan 0.000 0.422 945 D N 0.632 121.027 120.400 -0.008 0.000 2.149 945 D HA -0.174 4.465 4.640 -0.001 0.000 0.198 945 D C 1.180 177.525 176.300 0.075 0.000 0.990 945 D CA 1.328 55.364 54.000 0.059 0.000 0.839 945 D CB 0.104 40.931 40.800 0.045 0.000 0.948 945 D HN 0.095 nan 8.370 nan 0.000 0.460 946 D N -0.393 120.019 120.400 0.019 0.000 2.117 946 D HA -0.115 4.525 4.640 -0.001 0.000 0.197 946 D C 2.286 178.552 176.300 -0.057 0.000 0.987 946 D CA 0.681 54.692 54.000 0.020 0.000 0.829 946 D CB -0.253 40.566 40.800 0.032 0.000 0.961 946 D HN 0.202 nan 8.370 nan 0.000 0.460 947 V N 0.770 120.533 119.914 -0.252 0.000 2.307 947 V HA -0.205 3.915 4.120 -0.001 0.000 0.245 947 V C 2.158 178.284 176.094 0.053 0.000 1.045 947 V CA 1.128 63.182 62.300 -0.410 0.000 1.024 947 V CB -0.549 31.020 31.823 -0.425 0.000 0.651 947 V HN 0.075 nan 8.190 nan 0.000 0.449 948 F N 1.042 120.966 119.950 -0.045 0.000 2.293 948 F HA -0.116 4.411 4.527 -0.001 0.000 0.300 948 F C 2.345 178.198 175.800 0.089 0.000 1.086 948 F CA 1.837 59.856 58.000 0.031 0.000 1.375 948 F CB -0.213 38.775 39.000 -0.021 0.000 1.045 948 F HN 0.216 nan 8.300 nan 0.000 0.516 949 E N -0.246 119.985 120.200 0.052 0.000 2.118 949 E HA -0.220 4.129 4.350 -0.001 0.000 0.195 949 E C 0.915 177.523 176.600 0.014 0.000 0.992 949 E CA 1.475 57.870 56.400 -0.007 0.000 0.804 949 E CB -0.108 29.632 29.700 0.067 0.000 0.741 949 E HN 0.392 nan 8.360 nan 0.000 0.458 950 D N -1.049 119.425 120.400 0.123 0.000 2.342 950 D HA 0.045 4.685 4.640 -0.001 0.000 0.221 950 D C 0.512 177.063 176.300 0.417 0.000 1.101 950 D CA 0.298 54.435 54.000 0.228 0.000 0.837 950 D CB 0.898 41.807 40.800 0.182 0.000 0.938 950 D HN 0.099 nan 8.370 nan 0.000 0.508 951 T N -0.571 114.125 114.554 0.237 0.000 2.964 951 T HA 0.001 4.350 4.350 -0.001 0.000 0.249 951 T C 1.741 176.333 174.700 -0.179 0.000 1.000 951 T CA -0.235 61.969 62.100 0.173 0.000 0.992 951 T CB 1.097 70.141 68.868 0.294 0.000 1.087 951 T HN 0.013 nan 8.240 nan 0.000 0.489 952 K N 1.462 121.612 120.400 -0.417 0.000 2.148 952 K HA -0.289 4.030 4.320 -0.001 0.000 0.213 952 K C 2.065 178.534 176.600 -0.217 0.000 1.050 952 K CA 2.302 58.230 56.287 -0.599 0.000 0.932 952 K CB -0.433 31.700 32.500 -0.611 0.000 0.717 952 K HN 0.670 nan 8.250 nan 0.000 0.462 953 Y N -0.739 119.489 120.300 -0.119 0.000 2.483 953 Y HA -0.097 4.452 4.550 -0.001 0.000 0.291 953 Y C 1.456 177.334 175.900 -0.036 0.000 1.143 953 Y CA 0.320 58.386 58.100 -0.056 0.000 1.289 953 Y CB -0.181 38.260 38.460 -0.033 0.000 0.983 953 Y HN -0.037 nan 8.280 nan 0.000 0.556 954 L N 0.165 120.942 121.223 -0.742 0.000 2.291 954 L HA -0.065 4.274 4.340 -0.001 0.000 0.214 954 L C 2.336 179.084 176.870 -0.204 0.000 1.120 954 L CA 0.684 55.204 54.840 -0.534 0.000 0.799 954 L CB -1.114 40.603 42.059 -0.569 0.000 0.925 954 L HN 0.334 nan 8.230 nan 0.000 0.446 955 V N -0.594 119.247 119.914 -0.121 0.000 2.453 955 V HA -0.248 3.872 4.120 -0.001 0.000 0.247 955 V C 2.544 178.621 176.094 -0.029 0.000 1.048 955 V CA 1.308 63.591 62.300 -0.029 0.000 1.049 955 V CB -0.432 31.418 31.823 0.045 0.000 0.672 955 V HN 0.384 nan 8.190 nan 0.000 0.457 956 Q N 0.573 120.364 119.800 -0.015 0.000 2.119 956 Q HA -0.130 4.210 4.340 -0.001 0.000 0.201 956 Q C 2.294 178.324 176.000 0.050 0.000 0.972 956 Q CA 2.077 57.886 55.803 0.009 0.000 0.847 956 Q CB -0.403 28.360 28.738 0.041 0.000 0.903 956 Q HN 0.587 nan 8.270 nan 0.000 0.433 957 S N 0.209 115.955 115.700 0.077 0.000 2.368 957 S HA -0.145 4.324 4.470 -0.001 0.000 0.225 957 S C 1.922 176.642 174.600 0.200 0.000 1.030 957 S CA 0.990 59.308 58.200 0.197 0.000 0.999 957 S CB -0.603 62.648 63.200 0.085 0.000 0.844 957 S HN 0.605 nan 8.310 nan 0.000 0.459 958 A N 1.599 124.462 122.820 0.072 0.000 1.877 958 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 958 A C 2.442 180.039 177.584 0.022 0.000 1.186 958 A CA 1.785 53.848 52.037 0.045 0.000 0.620 958 A CB -1.128 17.866 19.000 -0.011 0.000 0.822 958 A HN 0.593 nan 8.150 nan 0.000 0.443 959 V N -2.073 117.836 119.914 -0.009 0.000 2.720 959 V HA -0.158 3.961 4.120 -0.001 0.000 0.256 959 V C 1.292 177.370 176.094 -0.026 0.000 1.082 959 V CA 2.395 64.677 62.300 -0.029 0.000 1.101 959 V CB -0.816 30.951 31.823 -0.094 0.000 0.693 959 V HN 0.379 nan 8.190 nan 0.000 0.479 960 D N 1.003 121.398 120.400 -0.007 0.000 2.347 960 D HA 0.263 4.903 4.640 -0.001 0.000 0.213 960 D C 1.816 178.058 176.300 -0.097 0.000 0.985 960 D CA 1.400 55.381 54.000 -0.032 0.000 0.879 960 D CB 0.613 41.429 40.800 0.027 0.000 0.919 960 D HN 0.754 nan 8.370 nan 0.000 0.526 961 G N -0.800 107.954 108.800 -0.077 0.000 2.260 961 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.179 961 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.179 961 G C -0.115 174.705 174.900 -0.133 0.000 1.002 961 G CA -0.648 44.381 45.100 -0.118 0.000 0.677 961 G HN 0.176 nan 8.290 nan 0.000 0.486 962 Y N 1.217 121.515 120.300 -0.003 0.000 2.397 962 Y HA 0.492 5.042 4.550 -0.001 0.000 0.335 962 Y C 0.801 176.688 175.900 -0.022 0.000 1.213 962 Y CA -0.358 57.736 58.100 -0.008 0.000 1.391 962 Y CB 0.678 39.133 38.460 -0.008 0.000 1.293 962 Y HN 0.167 nan 8.280 nan 0.000 0.557 963 N N 2.035 120.837 118.700 0.169 0.000 2.420 963 N HA 0.257 4.996 4.740 -0.001 0.000 0.249 963 N C -1.629 173.904 175.510 0.037 0.000 1.033 963 N CA -0.077 53.014 53.050 0.069 0.000 0.944 963 N CB 0.431 38.946 38.487 0.047 0.000 1.113 963 N HN 0.330 nan 8.380 nan 0.000 0.502 964 V N 3.136 123.041 119.914 -0.014 0.000 2.483 964 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 964 V C -0.143 175.872 176.094 -0.131 0.000 1.035 964 V CA -0.903 61.348 62.300 -0.081 0.000 0.896 964 V CB 1.324 33.073 31.823 -0.123 0.000 0.986 964 V HN 0.812 nan 8.190 nan 0.000 0.447 965 C N 6.698 125.925 119.300 -0.123 0.000 2.535 965 C HA 0.751 5.211 4.460 -0.001 0.000 0.319 965 C C -0.809 174.131 174.990 -0.082 0.000 1.171 965 C CA -0.436 58.517 59.018 -0.109 0.000 1.394 965 C CB 0.069 27.800 27.740 -0.016 0.000 1.990 965 C HN 0.852 nan 8.230 nan 0.000 0.466 966 I N 6.642 127.117 120.570 -0.158 0.000 2.447 966 I HA 0.562 4.731 4.170 -0.001 0.000 0.287 966 I C -0.550 175.667 176.117 0.167 0.000 1.023 966 I CA -0.303 60.962 61.300 -0.059 0.000 1.083 966 I CB 1.218 39.048 38.000 -0.283 0.000 1.245 966 I HN 0.722 nan 8.210 nan 0.000 0.434 967 F N 5.035 125.045 119.950 0.099 0.000 2.588 967 F HA 0.944 5.470 4.527 -0.001 0.000 0.310 967 F C -0.704 175.239 175.800 0.238 0.000 1.082 967 F CA -0.915 57.175 58.000 0.151 0.000 0.929 967 F CB 1.347 40.429 39.000 0.136 0.000 1.254 967 F HN 0.368 nan 8.300 nan 0.000 0.455 968 A N 2.873 125.849 122.820 0.259 0.000 2.312 968 A HA 0.714 5.033 4.320 -0.001 0.000 0.326 968 A C -2.156 175.625 177.584 0.328 0.000 1.172 968 A CA -0.649 51.506 52.037 0.196 0.000 0.821 968 A CB 0.814 19.893 19.000 0.132 0.000 1.166 968 A HN 0.959 nan 8.150 nan 0.000 0.493 969 Y N 0.729 121.102 120.300 0.121 0.000 2.457 969 Y HA 0.618 5.167 4.550 -0.001 0.000 0.343 969 Y C 0.130 176.067 175.900 0.061 0.000 0.994 969 Y CA 0.310 58.497 58.100 0.145 0.000 1.031 969 Y CB 1.966 40.551 38.460 0.208 0.000 1.246 969 Y HN 1.434 nan 8.280 nan 0.000 0.449 970 G N 4.085 112.673 108.800 -0.354 0.000 2.337 970 G HA2 0.258 4.217 3.960 -0.001 0.000 0.298 970 G HA3 0.258 4.217 3.960 -0.001 0.000 0.298 970 G C -1.949 172.804 174.900 -0.245 0.000 1.335 970 G CA -0.809 44.179 45.100 -0.187 0.000 0.875 970 G HN 0.855 nan 8.290 nan 0.000 0.579 971 Q N -0.562 119.155 119.800 -0.138 0.000 2.382 971 Q HA 0.586 4.925 4.340 -0.001 0.000 0.229 971 Q C -0.093 175.856 176.000 -0.085 0.000 1.006 971 Q CA -0.162 55.571 55.803 -0.116 0.000 0.916 971 Q CB 0.488 29.184 28.738 -0.070 0.000 1.235 971 Q HN 0.351 nan 8.270 nan 0.000 0.512 972 T N 1.279 115.787 114.554 -0.077 0.000 2.871 972 T HA 0.297 4.646 4.350 -0.001 0.000 0.296 972 T C 1.082 175.753 174.700 -0.047 0.000 0.998 972 T CA 1.075 63.138 62.100 -0.060 0.000 1.162 972 T CB 0.033 68.867 68.868 -0.057 0.000 0.947 972 T HN 0.955 nan 8.240 nan 0.000 0.536 973 G N 2.525 111.301 108.800 -0.041 0.000 2.213 973 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.236 973 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.236 973 G C 1.338 176.217 174.900 -0.035 0.000 0.991 973 G CA 0.729 45.805 45.100 -0.040 0.000 0.629 973 G HN 0.944 nan 8.290 nan 0.000 0.517 974 S N -0.145 115.540 115.700 -0.025 0.000 2.423 974 S HA 0.365 4.834 4.470 -0.001 0.000 0.231 974 S C 2.105 176.707 174.600 0.003 0.000 1.014 974 S CA 1.786 59.978 58.200 -0.012 0.000 0.965 974 S CB 0.018 63.216 63.200 -0.004 0.000 0.785 974 S HN 2.434 nan 8.310 nan 0.000 0.495 975 G N 0.751 109.565 108.800 0.023 0.000 2.157 975 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.114 975 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.114 975 G C 0.512 175.488 174.900 0.128 0.000 1.041 975 G CA 0.082 45.227 45.100 0.075 0.000 0.714 975 G HN 0.411 nan 8.290 nan 0.000 0.492 976 K N -0.244 120.210 120.400 0.090 0.000 2.002 976 K HA -0.063 4.256 4.320 -0.001 0.000 0.209 976 K C 2.517 179.178 176.600 0.103 0.000 1.048 976 K CA 1.925 58.267 56.287 0.091 0.000 0.930 976 K CB -0.285 32.263 32.500 0.081 0.000 0.714 976 K HN 0.254 nan 8.250 nan 0.000 0.438 977 T N 1.091 115.719 114.554 0.123 0.000 2.788 977 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 977 T C 1.463 176.256 174.700 0.155 0.000 1.044 977 T CA 1.072 63.268 62.100 0.160 0.000 1.139 977 T CB -0.297 68.641 68.868 0.117 0.000 0.867 977 T HN 0.204 nan 8.240 nan 0.000 0.454 978 F N 1.780 121.736 119.950 0.010 0.000 2.171 978 F HA -0.140 4.386 4.527 -0.001 0.000 0.300 978 F C 2.350 178.112 175.800 -0.062 0.000 1.090 978 F CA 1.157 59.149 58.000 -0.014 0.000 1.293 978 F CB -0.336 38.652 39.000 -0.020 0.000 1.013 978 F HN 0.061 nan 8.300 nan 0.000 0.486 979 T N 1.013 115.578 114.554 0.019 0.000 2.851 979 T HA -0.057 4.293 4.350 -0.001 0.000 0.262 979 T C 2.008 176.519 174.700 -0.314 0.000 1.043 979 T CA 1.247 63.234 62.100 -0.189 0.000 1.140 979 T CB -0.088 68.662 68.868 -0.196 0.000 0.872 979 T HN 0.086 nan 8.240 nan 0.000 0.446 980 I N -0.311 120.129 120.570 -0.217 0.000 2.333 980 I HA 0.018 4.188 4.170 -0.001 0.000 0.246 980 I C 1.767 177.559 176.117 -0.542 0.000 1.106 980 I CA 1.584 62.691 61.300 -0.321 0.000 1.411 980 I CB -0.884 37.012 38.000 -0.174 0.000 1.082 980 I HN 0.283 nan 8.210 nan 0.000 0.420 981 Y N 0.158 120.330 120.300 -0.214 0.000 2.609 981 Y HA 0.424 4.974 4.550 -0.001 0.000 0.281 981 Y C 1.754 177.484 175.900 -0.284 0.000 1.132 981 Y CA 0.654 58.614 58.100 -0.233 0.000 1.264 981 Y CB -0.389 37.980 38.460 -0.151 0.000 1.325 981 Y HN 0.246 nan 8.280 nan 0.000 0.514 982 G N 0.826 109.526 108.800 -0.167 0.000 2.593 982 G HA2 0.053 4.013 3.960 -0.001 0.000 0.237 982 G HA3 0.053 4.013 3.960 -0.001 0.000 0.237 982 G C -0.463 174.341 174.900 -0.160 0.000 1.312 982 G CA -0.451 44.407 45.100 -0.403 0.000 0.896 982 G HN 0.745 nan 8.290 nan 0.000 0.574 983 A N -0.786 121.937 122.820 -0.163 0.000 2.387 983 A HA 0.760 5.080 4.320 -0.001 0.000 0.303 983 A C 1.311 178.852 177.584 -0.072 0.000 1.145 983 A CA 0.885 52.893 52.037 -0.048 0.000 0.801 983 A CB 1.119 20.142 19.000 0.039 0.000 1.342 983 A HN 1.565 nan 8.150 nan 0.000 0.440 984 D N 0.459 120.825 120.400 -0.057 0.000 2.158 984 D HA -0.225 4.414 4.640 -0.001 0.000 0.197 984 D C 1.544 177.809 176.300 -0.058 0.000 0.995 984 D CA 2.267 56.229 54.000 -0.064 0.000 0.846 984 D CB -0.460 40.303 40.800 -0.062 0.000 0.941 984 D HN 0.525 nan 8.370 nan 0.000 0.456 985 S N -1.158 114.518 115.700 -0.040 0.000 2.458 985 S HA 0.010 4.480 4.470 -0.001 0.000 0.223 985 S C 0.979 175.556 174.600 -0.039 0.000 1.019 985 S CA -0.082 58.099 58.200 -0.030 0.000 0.937 985 S CB 0.008 63.203 63.200 -0.007 0.000 0.788 985 S HN 0.051 nan 8.310 nan 0.000 0.511 986 N N 2.627 121.293 118.700 -0.058 0.000 2.813 986 N HA 0.479 5.218 4.740 -0.001 0.000 0.282 986 N C -3.220 172.147 175.510 -0.238 0.000 1.748 986 N CA -2.040 50.946 53.050 -0.106 0.000 0.860 986 N CB 0.941 39.416 38.487 -0.020 0.000 1.204 986 N HN 0.153 nan 8.380 nan 0.000 0.490 987 P HA 0.019 nan 4.420 nan 0.000 0.264 987 P C 0.486 177.581 177.300 -0.342 0.000 1.179 987 P CA 0.347 63.299 63.100 -0.247 0.000 0.763 987 P CB 0.774 32.349 31.700 -0.209 0.000 0.806 988 G N 1.672 110.252 108.800 -0.367 0.000 2.606 988 G HA2 0.252 4.211 3.960 -0.001 0.000 0.262 988 G HA3 0.252 4.211 3.960 -0.001 0.000 0.262 988 G C 0.909 175.560 174.900 -0.415 0.000 1.394 988 G CA -0.711 44.138 45.100 -0.417 0.000 1.044 988 G HN 0.396 nan 8.290 nan 0.000 0.553 989 L N -0.513 120.478 121.223 -0.387 0.000 1.989 989 L HA -0.152 4.188 4.340 -0.001 0.000 0.211 989 L C 3.276 179.804 176.870 -0.570 0.000 1.071 989 L CA 1.963 56.623 54.840 -0.300 0.000 0.749 989 L CB -0.828 41.162 42.059 -0.115 0.000 0.890 989 L HN 0.553 nan 8.230 nan 0.000 0.431 990 T N 0.162 114.125 114.554 -0.983 0.000 2.652 990 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 990 T C -0.489 173.812 174.700 -0.664 0.000 1.039 990 T CA 1.784 63.087 62.100 -1.327 0.000 1.153 990 T CB -1.412 66.656 68.868 -1.332 0.000 0.863 990 T HN 0.339 nan 8.240 nan 0.000 0.428 991 P HA -0.063 nan 4.420 nan 0.000 0.217 991 P C 1.380 178.512 177.300 -0.281 0.000 1.150 991 P CA 1.266 64.194 63.100 -0.287 0.000 0.832 991 P CB -0.068 31.494 31.700 -0.229 0.000 0.787 992 R N -0.069 120.146 120.500 -0.476 0.000 2.092 992 R HA 0.001 4.340 4.340 -0.001 0.000 0.231 992 R C 2.575 178.512 176.300 -0.605 0.000 1.119 992 R CA 1.395 57.041 56.100 -0.758 0.000 0.970 992 R CB -0.907 28.517 30.300 -1.461 0.000 0.864 992 R HN 0.150 nan 8.270 nan 0.000 0.440 993 A N 0.948 123.595 122.820 -0.289 0.000 1.873 993 A HA -0.148 4.171 4.320 -0.001 0.000 0.215 993 A C 2.055 179.723 177.584 0.139 0.000 1.186 993 A CA 1.202 53.349 52.037 0.183 0.000 0.616 993 A CB -0.264 18.942 19.000 0.344 0.000 0.823 993 A HN 0.086 nan 8.150 nan 0.000 0.442 994 M N -0.178 119.465 119.600 0.071 0.000 2.149 994 M HA -0.093 4.387 4.480 -0.001 0.000 0.261 994 M C 2.386 178.926 176.300 0.400 0.000 1.064 994 M CA 1.813 57.248 55.300 0.225 0.000 1.102 994 M CB -1.719 30.986 32.600 0.175 0.000 1.369 994 M HN 0.499 nan 8.290 nan 0.000 0.408 995 S N -0.104 115.751 115.700 0.259 0.000 2.368 995 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 995 S C 1.897 176.530 174.600 0.055 0.000 1.029 995 S CA 1.595 59.836 58.200 0.068 0.000 0.988 995 S CB -0.063 63.094 63.200 -0.072 0.000 0.838 995 S HN 0.458 nan 8.310 nan 0.000 0.462 996 E N 0.941 121.207 120.200 0.110 0.000 2.110 996 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 996 E C 1.894 178.539 176.600 0.075 0.000 0.988 996 E CA 1.110 57.605 56.400 0.158 0.000 0.804 996 E CB -0.603 29.327 29.700 0.384 0.000 0.745 996 E HN 0.449 nan 8.360 nan 0.000 0.458 997 L N -0.407 120.856 121.223 0.067 0.000 2.012 997 L HA -0.090 4.249 4.340 -0.001 0.000 0.210 997 L C 1.988 178.711 176.870 -0.245 0.000 1.073 997 L CA 1.818 56.598 54.840 -0.101 0.000 0.748 997 L CB -0.725 41.266 42.059 -0.113 0.000 0.891 997 L HN 0.199 nan 8.230 nan 0.000 0.431 998 F N 0.043 119.933 119.950 -0.100 0.000 2.259 998 F HA -0.093 4.433 4.527 -0.001 0.000 0.298 998 F C 2.513 178.225 175.800 -0.146 0.000 1.088 998 F CA 1.408 59.327 58.000 -0.135 0.000 1.358 998 F CB -0.329 38.596 39.000 -0.124 0.000 1.040 998 F HN 0.206 nan 8.300 nan 0.000 0.505 999 R N 0.319 120.835 120.500 0.027 0.000 2.193 999 R HA 0.009 4.349 4.340 -0.001 0.000 0.213 999 R C 1.720 178.004 176.300 -0.026 0.000 1.055 999 R CA 1.248 57.347 56.100 -0.002 0.000 0.995 999 R CB -0.857 29.439 30.300 -0.007 0.000 0.893 999 R HN 0.270 nan 8.270 nan 0.000 0.459 1000 I N 0.909 121.432 120.570 -0.078 0.000 2.233 1000 I HA -0.163 4.007 4.170 -0.001 0.000 0.243 1000 I C 2.279 178.293 176.117 -0.172 0.000 1.093 1000 I CA 1.384 62.620 61.300 -0.108 0.000 1.380 1000 I CB -0.171 37.740 38.000 -0.147 0.000 1.067 1000 I HN 0.196 nan 8.210 nan 0.000 0.413 1001 M N 0.169 119.536 119.600 -0.389 0.000 2.358 1001 M HA -0.199 4.280 4.480 -0.001 0.000 0.264 1001 M C 2.243 178.521 176.300 -0.037 0.000 1.064 1001 M CA 1.425 56.378 55.300 -0.578 0.000 1.093 1001 M CB -0.366 31.625 32.600 -1.015 0.000 1.401 1001 M HN 0.186 nan 8.290 nan 0.000 0.440 1002 K N 1.696 122.094 120.400 -0.004 0.000 2.044 1002 K HA -0.140 4.179 4.320 -0.001 0.000 0.204 1002 K C 2.026 178.684 176.600 0.095 0.000 1.045 1002 K CA 1.280 57.613 56.287 0.075 0.000 0.951 1002 K CB 0.012 32.547 32.500 0.057 0.000 0.738 1002 K HN 0.320 nan 8.250 nan 0.000 0.443 1003 K N -0.159 120.283 120.400 0.071 0.000 2.147 1003 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 1003 K C 0.482 177.162 176.600 0.133 0.000 1.049 1003 K CA 1.842 58.179 56.287 0.083 0.000 0.936 1003 K CB 0.012 32.549 32.500 0.062 0.000 0.722 1003 K HN 0.053 nan 8.250 nan 0.000 0.446 1004 D N 1.220 121.734 120.400 0.190 0.000 2.395 1004 D HA 0.032 4.671 4.640 -0.001 0.000 0.226 1004 D C 1.112 177.648 176.300 0.394 0.000 1.146 1004 D CA 0.373 54.559 54.000 0.311 0.000 0.830 1004 D CB 0.774 41.800 40.800 0.377 0.000 0.958 1004 D HN 0.396 nan 8.370 nan 0.000 0.501 1005 S N 0.715 116.592 115.700 0.295 0.000 2.419 1005 S HA -0.233 4.237 4.470 -0.001 0.000 0.233 1005 S C 1.577 176.280 174.600 0.172 0.000 1.016 1005 S CA 1.045 59.409 58.200 0.274 0.000 0.974 1005 S CB -0.657 62.660 63.200 0.194 0.000 0.786 1005 S HN 0.523 nan 8.310 nan 0.000 0.492 1006 N N 1.476 120.255 118.700 0.133 0.000 2.300 1006 N HA -0.020 4.720 4.740 -0.001 0.000 0.179 1006 N C 1.681 177.200 175.510 0.014 0.000 1.016 1006 N CA 0.474 53.562 53.050 0.064 0.000 0.876 1006 N CB -0.224 38.293 38.487 0.051 0.000 0.979 1006 N HN 0.372 nan 8.380 nan 0.000 0.432 1007 K N -0.623 119.808 120.400 0.052 0.000 2.305 1007 K HA 0.123 4.443 4.320 -0.001 0.000 0.199 1007 K C -0.429 175.889 176.600 -0.470 0.000 1.047 1007 K CA 0.608 56.807 56.287 -0.146 0.000 0.976 1007 K CB 0.210 32.699 32.500 -0.019 0.000 0.765 1007 K HN 0.097 nan 8.250 nan 0.000 0.474 1008 F N -1.013 118.833 119.950 -0.173 0.000 2.629 1008 F HA 0.298 4.824 4.527 -0.001 0.000 0.316 1008 F C -0.281 175.214 175.800 -0.508 0.000 1.081 1008 F CA -1.257 56.484 58.000 -0.431 0.000 0.954 1008 F CB 1.970 40.477 39.000 -0.823 0.000 1.337 1008 F HN -0.400 nan 8.300 nan 0.000 0.474 1009 S N 1.364 116.861 115.700 -0.338 0.000 2.596 1009 S HA 0.710 5.179 4.470 -0.001 0.000 0.318 1009 S C -1.292 173.117 174.600 -0.318 0.000 1.097 1009 S CA -0.383 57.686 58.200 -0.218 0.000 1.080 1009 S CB -0.095 63.050 63.200 -0.092 0.000 0.991 1009 S HN 0.365 nan 8.310 nan 0.000 0.471 1010 F N 2.551 122.541 119.950 0.065 0.000 2.397 1010 F HA 0.610 5.137 4.527 -0.001 0.000 0.331 1010 F C 0.919 176.729 175.800 0.016 0.000 1.090 1010 F CA -0.615 57.398 58.000 0.021 0.000 1.065 1010 F CB 1.871 40.849 39.000 -0.036 0.000 1.184 1010 F HN 0.469 nan 8.300 nan 0.000 0.499 1011 S N 3.084 118.909 115.700 0.207 0.000 2.756 1011 S HA 0.674 5.144 4.470 -0.001 0.000 0.303 1011 S C -1.436 173.225 174.600 0.100 0.000 1.135 1011 S CA -0.442 57.832 58.200 0.124 0.000 1.066 1011 S CB 0.239 63.490 63.200 0.085 0.000 1.008 1011 S HN 0.459 nan 8.310 nan 0.000 0.482 1012 L N 5.773 127.045 121.223 0.082 0.000 2.329 1012 L HA 0.700 5.039 4.340 -0.001 0.000 0.279 1012 L C -0.261 176.652 176.870 0.071 0.000 1.014 1012 L CA -0.078 54.795 54.840 0.054 0.000 0.814 1012 L CB 1.670 43.738 42.059 0.015 0.000 1.257 1012 L HN 0.701 nan 8.230 nan 0.000 0.424 1013 K N 2.992 123.433 120.400 0.068 0.000 2.512 1013 K HA 1.018 5.337 4.320 -0.001 0.000 0.263 1013 K C -1.757 174.891 176.600 0.079 0.000 0.966 1013 K CA -0.863 55.475 56.287 0.084 0.000 0.851 1013 K CB 2.537 35.094 32.500 0.096 0.000 1.395 1013 K HN 0.550 nan 8.250 nan 0.000 0.440 1014 A N 1.107 123.984 122.820 0.095 0.000 2.606 1014 A HA 0.742 5.061 4.320 -0.001 0.000 0.293 1014 A C -2.060 175.607 177.584 0.139 0.000 1.082 1014 A CA -0.836 51.230 52.037 0.049 0.000 0.685 1014 A CB 1.125 20.135 19.000 0.016 0.000 1.284 1014 A HN 0.898 nan 8.150 nan 0.000 0.408 1015 Y N -1.685 118.646 120.300 0.052 0.000 2.625 1015 Y HA 0.842 5.391 4.550 -0.001 0.000 0.338 1015 Y C -0.943 174.992 175.900 0.059 0.000 1.123 1015 Y CA -1.402 56.726 58.100 0.047 0.000 1.046 1015 Y CB 1.720 40.204 38.460 0.039 0.000 1.299 1015 Y HN 0.838 nan 8.280 nan 0.000 0.464 1016 M N 4.060 123.811 119.600 0.251 0.000 2.271 1016 M HA 0.701 5.181 4.480 -0.001 0.000 0.285 1016 M C -2.122 174.293 176.300 0.191 0.000 1.059 1016 M CA -0.784 54.615 55.300 0.165 0.000 0.940 1016 M CB 1.954 34.612 32.600 0.096 0.000 1.636 1016 M HN 0.933 nan 8.290 nan 0.000 0.460 1017 V N 1.146 121.177 119.914 0.195 0.000 2.962 1017 V HA 0.762 4.881 4.120 -0.001 0.000 0.313 1017 V C -1.282 174.896 176.094 0.140 0.000 1.099 1017 V CA -0.624 61.773 62.300 0.160 0.000 0.971 1017 V CB 1.960 33.889 31.823 0.175 0.000 1.028 1017 V HN 0.972 nan 8.190 nan 0.000 0.430 1018 E N 2.306 122.577 120.200 0.119 0.000 2.210 1018 E HA 0.603 4.953 4.350 -0.001 0.000 0.266 1018 E C -1.928 174.767 176.600 0.159 0.000 0.883 1018 E CA -0.966 55.507 56.400 0.122 0.000 0.761 1018 E CB 2.161 31.901 29.700 0.066 0.000 1.156 1018 E HN 0.809 nan 8.360 nan 0.000 0.412 1019 L N 6.042 127.395 121.223 0.217 0.000 2.276 1019 L HA 0.407 4.746 4.340 -0.001 0.000 0.286 1019 L C -1.966 175.102 176.870 0.331 0.000 1.024 1019 L CA -0.620 54.381 54.840 0.269 0.000 0.826 1019 L CB 0.661 42.910 42.059 0.317 0.000 1.211 1019 L HN 0.536 nan 8.230 nan 0.000 0.422 1020 Y N 4.514 124.881 120.300 0.112 0.000 2.338 1020 Y HA 0.346 4.895 4.550 -0.001 0.000 0.333 1020 Y C -0.256 175.697 175.900 0.089 0.000 0.968 1020 Y CA -1.066 57.076 58.100 0.071 0.000 1.123 1020 Y CB 1.211 39.690 38.460 0.032 0.000 1.165 1020 Y HN 0.797 nan 8.280 nan 0.000 0.452 1021 Q N 4.537 124.222 119.800 -0.192 0.000 2.431 1021 Q HA -0.323 4.016 4.340 -0.001 0.000 0.344 1021 Q C -0.319 175.671 176.000 -0.018 0.000 1.384 1021 Q CA 1.163 56.862 55.803 -0.175 0.000 0.984 1021 Q CB -1.212 27.276 28.738 -0.417 0.000 1.204 1021 Q HN 0.865 nan 8.270 nan 0.000 0.392 1022 D N -1.558 118.901 120.400 0.099 0.000 3.041 1022 D HA -0.122 4.517 4.640 -0.001 0.000 0.220 1022 D C -0.905 175.392 176.300 -0.006 0.000 1.157 1022 D CA 1.777 55.773 54.000 -0.007 0.000 0.876 1022 D CB -0.667 40.103 40.800 -0.049 0.000 1.107 1022 D HN 0.594 nan 8.370 nan 0.000 0.422 1023 T N 0.876 115.460 114.554 0.049 0.000 2.890 1023 T HA 0.444 4.794 4.350 -0.001 0.000 0.295 1023 T C 0.152 174.909 174.700 0.095 0.000 0.993 1023 T CA -0.474 61.659 62.100 0.056 0.000 0.979 1023 T CB 1.758 70.663 68.868 0.061 0.000 0.967 1023 T HN 0.030 nan 8.240 nan 0.000 0.441 1024 L N 4.880 126.145 121.223 0.069 0.000 2.265 1024 L HA 0.608 4.947 4.340 -0.001 0.000 0.288 1024 L C 0.123 177.035 176.870 0.071 0.000 1.058 1024 L CA -0.654 54.235 54.840 0.081 0.000 0.809 1024 L CB 0.845 42.938 42.059 0.058 0.000 1.179 1024 L HN 0.458 nan 8.230 nan 0.000 0.429 1025 V N 1.164 121.128 119.914 0.084 0.000 2.513 1025 V HA 0.424 4.543 4.120 -0.001 0.000 0.299 1025 V C -0.407 175.725 176.094 0.064 0.000 1.035 1025 V CA -0.861 61.478 62.300 0.065 0.000 0.889 1025 V CB 1.862 33.723 31.823 0.063 0.000 0.988 1025 V HN 0.657 nan 8.190 nan 0.000 0.440 1026 D N 3.771 124.201 120.400 0.050 0.000 2.336 1026 D HA 0.279 4.918 4.640 -0.001 0.000 0.249 1026 D C 0.858 177.188 176.300 0.050 0.000 1.213 1026 D CA -0.009 54.024 54.000 0.055 0.000 0.870 1026 D CB 1.204 42.025 40.800 0.035 0.000 1.076 1026 D HN 0.663 nan 8.370 nan 0.000 0.483 1027 L N 3.312 124.572 121.223 0.061 0.000 2.492 1027 L HA 0.041 4.380 4.340 -0.001 0.000 0.223 1027 L C 1.667 178.558 176.870 0.035 0.000 1.132 1027 L CA 0.348 55.212 54.840 0.040 0.000 0.850 1027 L CB 0.054 42.135 42.059 0.036 0.000 0.966 1027 L HN 0.455 nan 8.230 nan 0.000 0.454 1028 L N -0.236 121.018 121.223 0.051 0.000 2.640 1028 L HA 0.139 4.478 4.340 -0.001 0.000 0.230 1028 L C 0.463 177.353 176.870 0.034 0.000 1.123 1028 L CA -0.458 54.409 54.840 0.044 0.000 0.900 1028 L CB 0.359 42.457 42.059 0.066 0.000 1.146 1028 L HN 0.136 nan 8.230 nan 0.000 0.484 1029 L N 2.668 123.909 121.223 0.030 0.000 2.559 1029 L HA 0.186 4.526 4.340 -0.001 0.000 0.274 1029 L C -1.960 174.919 176.870 0.014 0.000 1.205 1029 L CA -1.009 53.844 54.840 0.021 0.000 0.907 1029 L CB -0.108 41.961 42.059 0.018 0.000 1.153 1029 L HN -0.161 nan 8.230 nan 0.000 0.490 1030 P HA 0.008 nan 4.420 nan 0.000 0.266 1030 P C -0.028 177.275 177.300 0.005 0.000 1.193 1030 P CA -0.089 63.016 63.100 0.008 0.000 0.770 1030 P CB 0.414 32.119 31.700 0.008 0.000 0.836 1031 K N 1.811 122.213 120.400 0.002 0.000 2.442 1031 K HA -0.145 4.174 4.320 -0.001 0.000 0.198 1031 K C 1.152 177.752 176.600 0.001 0.000 1.044 1031 K CA 1.528 57.815 56.287 0.000 0.000 0.948 1031 K CB -0.017 32.481 32.500 -0.003 0.000 0.762 1031 K HN 0.516 nan 8.250 nan 0.000 0.472 1032 Q N -0.499 119.302 119.800 0.002 0.000 2.442 1032 Q HA 0.222 4.562 4.340 -0.001 0.000 0.228 1032 Q C 0.410 176.411 176.000 0.003 0.000 0.902 1032 Q CA 0.287 56.091 55.803 0.002 0.000 0.933 1032 Q CB 0.053 28.792 28.738 0.002 0.000 1.071 1032 Q HN 0.184 nan 8.270 nan 0.000 0.562 1033 A N 2.379 125.201 122.820 0.004 0.000 2.511 1033 A HA 0.219 4.538 4.320 -0.001 0.000 0.242 1033 A C -0.029 177.557 177.584 0.004 0.000 1.069 1033 A CA -0.247 51.792 52.037 0.004 0.000 0.763 1033 A CB -0.140 18.863 19.000 0.005 0.000 1.001 1033 A HN 0.293 nan 8.150 nan 0.000 0.498 1034 K N 2.624 123.026 120.400 0.003 0.000 2.295 1034 K HA 0.297 4.616 4.320 -0.001 0.000 0.270 1034 K C -0.055 176.547 176.600 0.003 0.000 1.011 1034 K CA -0.383 55.906 56.287 0.003 0.000 0.953 1034 K CB 0.593 33.094 32.500 0.002 0.000 0.956 1034 K HN 0.747 nan 8.250 nan 0.000 0.477 1035 R N 3.502 124.005 120.500 0.004 0.000 2.254 1035 R HA 0.322 4.661 4.340 -0.001 0.000 0.318 1035 R C -0.661 175.640 176.300 0.002 0.000 1.031 1035 R CA -0.716 55.387 56.100 0.005 0.000 0.905 1035 R CB 0.364 30.669 30.300 0.009 0.000 1.050 1035 R HN 0.520 nan 8.270 nan 0.000 0.456 1036 L N 2.395 123.617 121.223 -0.001 0.000 2.365 1036 L HA 0.400 4.739 4.340 -0.001 0.000 0.267 1036 L C 0.380 177.246 176.870 -0.006 0.000 1.033 1036 L CA -1.362 53.475 54.840 -0.005 0.000 0.802 1036 L CB 1.350 43.404 42.059 -0.009 0.000 1.267 1036 L HN 0.668 nan 8.230 nan 0.000 0.457 1037 K N 1.354 121.749 120.400 -0.008 0.000 2.451 1037 K HA 0.261 4.581 4.320 -0.001 0.000 0.280 1037 K C -1.061 175.529 176.600 -0.016 0.000 1.020 1037 K CA -0.042 56.240 56.287 -0.009 0.000 1.008 1037 K CB 0.298 32.792 32.500 -0.010 0.000 0.917 1037 K HN 0.421 nan 8.250 nan 0.000 0.478 1038 L N 3.788 125.002 121.223 -0.015 0.000 2.255 1038 L HA 0.227 4.567 4.340 -0.001 0.000 0.289 1038 L C -0.150 176.704 176.870 -0.027 0.000 1.046 1038 L CA -0.547 54.278 54.840 -0.025 0.000 0.816 1038 L CB 0.890 42.939 42.059 -0.017 0.000 1.197 1038 L HN 0.688 nan 8.230 nan 0.000 0.427 1039 D N 4.305 124.683 120.400 -0.036 0.000 2.175 1039 D HA 0.451 5.091 4.640 -0.001 0.000 0.248 1039 D C -0.214 176.061 176.300 -0.041 0.000 1.047 1039 D CA -0.250 53.730 54.000 -0.034 0.000 0.883 1039 D CB 2.769 43.550 40.800 -0.031 0.000 1.180 1039 D HN 0.286 nan 8.370 nan 0.000 0.438 1040 I N 2.467 123.018 120.570 -0.032 0.000 2.321 1040 I HA 0.273 4.442 4.170 -0.001 0.000 0.291 1040 I C 0.473 176.570 176.117 -0.034 0.000 0.998 1040 I CA -0.203 61.077 61.300 -0.033 0.000 1.227 1040 I CB 0.884 38.871 38.000 -0.022 0.000 1.368 1040 I HN 0.055 nan 8.210 nan 0.000 0.466 1041 K N 4.955 125.331 120.400 -0.039 0.000 2.367 1041 K HA 0.697 5.016 4.320 -0.001 0.000 0.272 1041 K C -1.438 175.138 176.600 -0.040 0.000 1.046 1041 K CA -1.185 55.079 56.287 -0.037 0.000 0.895 1041 K CB 2.130 34.611 32.500 -0.032 0.000 1.512 1041 K HN 0.396 nan 8.250 nan 0.000 0.433 1042 K N -0.269 120.109 120.400 -0.038 0.000 2.512 1042 K HA 0.375 4.695 4.320 -0.001 0.000 0.263 1042 K C -1.338 175.247 176.600 -0.025 0.000 0.966 1042 K CA -0.961 55.304 56.287 -0.037 0.000 0.851 1042 K CB 0.836 33.302 32.500 -0.057 0.000 1.395 1042 K HN 0.526 nan 8.250 nan 0.000 0.440 1043 D N -0.438 119.951 120.400 -0.018 0.000 2.506 1043 D HA 0.141 4.780 4.640 -0.001 0.000 0.272 1043 D C 0.506 176.800 176.300 -0.011 0.000 1.214 1043 D CA -0.342 53.651 54.000 -0.011 0.000 1.067 1043 D CB 0.334 41.131 40.800 -0.004 0.000 1.117 1043 D HN 0.501 nan 8.370 nan 0.000 0.578 1044 S N -1.197 114.499 115.700 -0.007 0.000 2.469 1044 S HA -0.119 4.351 4.470 -0.001 0.000 0.238 1044 S C 1.224 175.821 174.600 -0.004 0.000 0.998 1044 S CA 0.496 58.693 58.200 -0.005 0.000 0.957 1044 S CB -0.347 62.851 63.200 -0.003 0.000 0.764 1044 S HN 0.415 nan 8.310 nan 0.000 0.514 1045 K N 0.586 120.983 120.400 -0.005 0.000 2.374 1045 K HA 0.276 4.595 4.320 -0.001 0.000 0.196 1045 K C 1.358 177.955 176.600 -0.005 0.000 1.023 1045 K CA 0.595 56.880 56.287 -0.003 0.000 1.103 1045 K CB 0.239 32.738 32.500 -0.001 0.000 0.848 1045 K HN 0.544 nan 8.250 nan 0.000 0.528 1046 G N 2.046 110.838 108.800 -0.015 0.000 2.176 1046 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.253 1046 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.253 1046 G C 0.124 175.000 174.900 -0.039 0.000 0.979 1046 G CA 0.342 45.423 45.100 -0.031 0.000 0.641 1046 G HN 0.367 nan 8.290 nan 0.000 0.530 1047 M N 2.370 121.958 119.600 -0.019 0.000 2.146 1047 M HA 0.548 5.027 4.480 -0.001 0.000 0.352 1047 M C 1.004 177.297 176.300 -0.012 0.000 1.343 1047 M CA -0.597 54.697 55.300 -0.010 0.000 1.115 1047 M CB 1.014 33.620 32.600 0.011 0.000 1.657 1047 M HN 0.645 nan 8.290 nan 0.000 0.471 1048 V N 4.312 124.215 119.914 -0.018 0.000 2.775 1048 V HA 0.760 4.880 4.120 -0.001 0.000 0.299 1048 V C -0.310 175.803 176.094 0.032 0.000 1.062 1048 V CA 0.067 62.358 62.300 -0.014 0.000 1.063 1048 V CB 1.130 32.933 31.823 -0.034 0.000 0.994 1048 V HN 0.986 nan 8.190 nan 0.000 0.483 1049 S N 3.443 119.144 115.700 0.002 0.000 2.556 1049 S HA 0.671 5.141 4.470 -0.001 0.000 0.271 1049 S C -0.898 173.644 174.600 -0.097 0.000 1.135 1049 S CA -0.307 57.877 58.200 -0.026 0.000 0.858 1049 S CB 1.513 64.694 63.200 -0.033 0.000 1.114 1049 S HN 1.930 nan 8.310 nan 0.000 0.468 1050 V N 2.022 121.801 119.914 -0.226 0.000 2.334 1050 V HA 0.443 4.562 4.120 -0.001 0.000 0.281 1050 V C -0.072 175.902 176.094 -0.200 0.000 1.016 1050 V CA -0.399 61.784 62.300 -0.195 0.000 0.832 1050 V CB 0.593 32.297 31.823 -0.198 0.000 0.999 1050 V HN 1.004 nan 8.190 nan 0.000 0.439 1051 E N 4.710 124.839 120.200 -0.119 0.000 2.415 1051 E HA 0.120 4.469 4.350 -0.001 0.000 0.262 1051 E C 0.710 177.258 176.600 -0.086 0.000 1.038 1051 E CA 0.807 57.151 56.400 -0.093 0.000 0.921 1051 E CB 0.164 29.829 29.700 -0.059 0.000 0.950 1051 E HN 0.915 nan 8.360 nan 0.000 0.438 1052 N N -1.086 117.571 118.700 -0.072 0.000 2.900 1052 N HA -0.204 4.535 4.740 -0.001 0.000 0.240 1052 N C -0.218 175.256 175.510 -0.061 0.000 0.953 1052 N CA 0.232 53.250 53.050 -0.053 0.000 0.950 1052 N CB -0.677 37.788 38.487 -0.037 0.000 1.102 1052 N HN 0.198 nan 8.380 nan 0.000 0.593 1053 V N 1.283 121.133 119.914 -0.106 0.000 2.881 1053 V HA 0.181 4.301 4.120 -0.001 0.000 0.303 1053 V C 0.665 176.719 176.094 -0.066 0.000 1.070 1053 V CA 0.311 62.546 62.300 -0.107 0.000 1.074 1053 V CB 1.534 33.209 31.823 -0.245 0.000 1.012 1053 V HN 0.119 nan 8.190 nan 0.000 0.482 1054 T N 5.699 120.248 114.554 -0.009 0.000 2.752 1054 T HA 0.345 4.694 4.350 -0.001 0.000 0.295 1054 T C -0.330 174.409 174.700 0.065 0.000 0.923 1054 T CA -0.066 62.048 62.100 0.024 0.000 1.112 1054 T CB 0.612 69.503 68.868 0.039 0.000 0.884 1054 T HN 0.496 nan 8.240 nan 0.000 0.525 1055 V N 5.367 125.317 119.914 0.060 0.000 2.357 1055 V HA 0.336 4.455 4.120 -0.001 0.000 0.284 1055 V C 0.211 176.361 176.094 0.093 0.000 1.018 1055 V CA -0.763 61.606 62.300 0.115 0.000 0.841 1055 V CB 1.532 33.413 31.823 0.096 0.000 0.991 1055 V HN 0.652 nan 8.190 nan 0.000 0.437 1056 V N 3.802 123.778 119.914 0.103 0.000 2.539 1056 V HA 0.402 4.522 4.120 -0.001 0.000 0.292 1056 V C 0.449 176.590 176.094 0.078 0.000 1.045 1056 V CA -0.268 62.078 62.300 0.076 0.000 0.945 1056 V CB 2.086 33.948 31.823 0.065 0.000 0.993 1056 V HN 0.882 nan 8.190 nan 0.000 0.464 1057 S N 5.180 120.920 115.700 0.067 0.000 2.438 1057 S HA 0.525 4.994 4.470 -0.001 0.000 0.293 1057 S C -0.281 174.366 174.600 0.079 0.000 1.141 1057 S CA -0.440 57.803 58.200 0.072 0.000 1.080 1057 S CB 0.499 63.737 63.200 0.064 0.000 0.978 1057 S HN 0.409 nan 8.310 nan 0.000 0.479 1058 I N 3.581 124.209 120.570 0.097 0.000 2.365 1058 I HA 0.226 4.395 4.170 -0.001 0.000 0.291 1058 I C 1.284 177.493 176.117 0.154 0.000 1.004 1058 I CA -0.107 61.272 61.300 0.130 0.000 1.311 1058 I CB 1.041 39.147 38.000 0.177 0.000 1.401 1058 I HN 0.776 nan 8.210 nan 0.000 0.491 1059 S N 2.417 118.206 115.700 0.148 0.000 2.604 1059 S HA 0.141 4.610 4.470 -0.001 0.000 0.235 1059 S C 0.602 175.315 174.600 0.187 0.000 1.043 1059 S CA 0.013 58.304 58.200 0.153 0.000 0.997 1059 S CB 0.469 63.729 63.200 0.099 0.000 0.956 1059 S HN 0.757 nan 8.310 nan 0.000 0.535 1060 T N -1.241 113.410 114.554 0.162 0.000 2.841 1060 T HA 0.482 4.831 4.350 -0.001 0.000 0.296 1060 T C 0.071 174.657 174.700 -0.191 0.000 1.166 1060 T CA -0.563 61.565 62.100 0.047 0.000 1.007 1060 T CB 0.860 69.721 68.868 -0.012 0.000 1.253 1060 T HN 0.036 nan 8.240 nan 0.000 0.511 1061 Y N 1.332 121.161 120.300 -0.784 0.000 2.242 1061 Y HA 0.079 4.629 4.550 -0.001 0.000 0.291 1061 Y C 2.037 177.666 175.900 -0.451 0.000 1.137 1061 Y CA 2.036 59.453 58.100 -1.137 0.000 1.181 1061 Y CB -0.236 37.591 38.460 -1.055 0.000 0.989 1061 Y HN 0.760 nan 8.280 nan 0.000 0.527 1062 E N 0.640 120.637 120.200 -0.339 0.000 2.077 1062 E HA -0.185 4.164 4.350 -0.001 0.000 0.193 1062 E C 2.083 178.531 176.600 -0.252 0.000 0.989 1062 E CA 1.719 57.937 56.400 -0.303 0.000 0.800 1062 E CB -0.281 29.331 29.700 -0.146 0.000 0.746 1062 E HN 0.615 nan 8.360 nan 0.000 0.452 1063 E N 0.167 120.271 120.200 -0.160 0.000 2.058 1063 E HA -0.173 4.177 4.350 -0.001 0.000 0.194 1063 E C 2.104 178.645 176.600 -0.098 0.000 0.997 1063 E CA 0.835 57.183 56.400 -0.087 0.000 0.801 1063 E CB -0.182 29.510 29.700 -0.013 0.000 0.746 1063 E HN 0.197 nan 8.360 nan 0.000 0.450 1064 L N 0.877 122.037 121.223 -0.104 0.000 2.093 1064 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 1064 L C 2.560 179.315 176.870 -0.191 0.000 1.085 1064 L CA 1.132 55.930 54.840 -0.069 0.000 0.755 1064 L CB -0.146 41.960 42.059 0.079 0.000 0.904 1064 L HN 0.072 nan 8.230 nan 0.000 0.435 1065 K N -0.542 119.620 120.400 -0.397 0.000 2.097 1065 K HA -0.208 4.112 4.320 -0.001 0.000 0.206 1065 K C 1.964 178.419 176.600 -0.243 0.000 1.049 1065 K CA 1.959 57.979 56.287 -0.444 0.000 0.933 1065 K CB -0.028 32.052 32.500 -0.700 0.000 0.717 1065 K HN 0.458 nan 8.250 nan 0.000 0.442 1066 T N -1.206 113.236 114.554 -0.187 0.000 2.942 1066 T HA -0.030 4.320 4.350 -0.001 0.000 0.265 1066 T C 1.955 176.604 174.700 -0.086 0.000 1.062 1066 T CA 0.874 62.901 62.100 -0.122 0.000 1.139 1066 T CB -0.275 68.535 68.868 -0.098 0.000 0.883 1066 T HN 0.173 nan 8.240 nan 0.000 0.468 1067 I N 0.347 120.874 120.570 -0.071 0.000 2.202 1067 I HA -0.057 4.112 4.170 -0.001 0.000 0.242 1067 I C 2.258 178.363 176.117 -0.019 0.000 1.091 1067 I CA 0.965 62.245 61.300 -0.033 0.000 1.368 1067 I CB -0.331 37.662 38.000 -0.012 0.000 1.058 1067 I HN 0.162 nan 8.210 nan 0.000 0.410 1068 I N 0.462 121.016 120.570 -0.027 0.000 2.361 1068 I HA -0.290 3.880 4.170 -0.001 0.000 0.251 1068 I C 2.535 178.669 176.117 0.029 0.000 1.133 1068 I CA 1.464 62.785 61.300 0.034 0.000 1.413 1068 I CB -0.641 37.332 38.000 -0.046 0.000 1.073 1068 I HN 0.266 nan 8.210 nan 0.000 0.424 1069 Q N 0.054 119.823 119.800 -0.052 0.000 2.123 1069 Q HA -0.216 4.123 4.340 -0.001 0.000 0.199 1069 Q C 2.419 178.358 176.000 -0.101 0.000 0.966 1069 Q CA 1.268 57.023 55.803 -0.080 0.000 0.845 1069 Q CB 0.008 28.689 28.738 -0.096 0.000 0.907 1069 Q HN 0.364 nan 8.270 nan 0.000 0.439 1070 R N -0.625 119.824 120.500 -0.085 0.000 2.081 1070 R HA -0.101 4.238 4.340 -0.001 0.000 0.235 1070 R C 2.086 178.309 176.300 -0.128 0.000 1.131 1070 R CA 1.775 57.822 56.100 -0.088 0.000 0.960 1070 R CB -0.620 29.646 30.300 -0.057 0.000 0.856 1070 R HN 0.339 nan 8.270 nan 0.000 0.436 1071 G N -0.693 108.023 108.800 -0.139 0.000 2.408 1071 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 1071 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 1071 G C 1.418 175.951 174.900 -0.613 0.000 1.150 1071 G CA 0.703 45.647 45.100 -0.261 0.000 0.776 1071 G HN 0.427 nan 8.290 nan 0.000 0.542 1072 S N 0.778 116.104 115.700 -0.623 0.000 2.353 1072 S HA -0.144 4.326 4.470 -0.001 0.000 0.222 1072 S C 2.231 176.625 174.600 -0.343 0.000 1.035 1072 S CA 1.939 59.745 58.200 -0.658 0.000 1.025 1072 S CB -0.363 62.708 63.200 -0.215 0.000 0.902 1072 S HN 0.580 nan 8.310 nan 0.000 0.440 1073 E N 0.134 120.204 120.200 -0.216 0.000 2.338 1073 E HA -0.153 4.196 4.350 -0.001 0.000 0.197 1073 E C 2.056 178.590 176.600 -0.110 0.000 1.007 1073 E CA 0.890 57.209 56.400 -0.134 0.000 0.849 1073 E CB -0.138 29.485 29.700 -0.127 0.000 0.774 1073 E HN 0.510 nan 8.360 nan 0.000 0.506 1074 Q N 0.769 120.466 119.800 -0.172 0.000 2.369 1074 Q HA -0.060 4.279 4.340 -0.001 0.000 0.206 1074 Q C 1.387 177.298 176.000 -0.147 0.000 0.963 1074 Q CA 1.011 56.725 55.803 -0.147 0.000 0.894 1074 Q CB 0.355 28.998 28.738 -0.158 0.000 0.965 1074 Q HN -0.023 nan 8.270 nan 0.000 0.475 1075 R N -0.837 119.554 120.500 -0.181 0.000 2.397 1075 R HA 0.115 4.454 4.340 -0.001 0.000 0.241 1075 R C -0.074 176.185 176.300 -0.069 0.000 0.914 1075 R CA -0.075 55.940 56.100 -0.142 0.000 1.071 1075 R CB -0.280 29.902 30.300 -0.198 0.000 1.116 1075 R HN 0.375 nan 8.270 nan 0.000 0.524 1076 H N 1.762 120.757 119.070 -0.125 0.000 3.107 1076 H HA -0.015 4.541 4.556 -0.001 0.000 0.301 1076 H C -0.574 174.714 175.328 -0.067 0.000 0.981 1076 H CA 0.891 56.890 56.048 -0.082 0.000 1.443 1076 H CB 0.659 30.374 29.762 -0.078 0.000 1.479 1076 H HN -0.172 nan 8.280 nan 0.000 0.564 1077 T N 4.089 118.316 114.554 -0.545 0.000 2.729 1077 T HA 0.102 4.452 4.350 -0.001 0.000 0.296 1077 T C 1.187 175.564 174.700 -0.540 0.000 0.928 1077 T CA -0.040 61.813 62.100 -0.410 0.000 1.045 1077 T CB 0.257 68.981 68.868 -0.240 0.000 0.902 1077 T HN 0.836 nan 8.240 nan 0.000 0.500 1078 T N 2.498 116.874 114.554 -0.296 0.000 3.045 1078 T HA 0.343 4.692 4.350 -0.001 0.000 0.239 1078 T C 1.210 175.852 174.700 -0.096 0.000 1.008 1078 T CA 0.198 62.203 62.100 -0.158 0.000 1.143 1078 T CB -0.290 68.555 68.868 -0.039 0.000 0.894 1078 T HN 0.639 nan 8.240 nan 0.000 0.451 1079 G N -0.074 108.675 108.800 -0.085 0.000 2.535 1079 G HA2 0.446 4.406 3.960 -0.001 0.000 0.303 1079 G HA3 0.446 4.406 3.960 -0.001 0.000 0.303 1079 G C 0.383 175.245 174.900 -0.063 0.000 1.237 1079 G CA 0.091 45.155 45.100 -0.059 0.000 0.986 1079 G HN 0.166 nan 8.290 nan 0.000 0.494 1080 T N -0.454 114.072 114.554 -0.046 0.000 3.001 1080 T HA 0.230 4.580 4.350 -0.001 0.000 0.251 1080 T C 1.048 175.727 174.700 -0.035 0.000 1.040 1080 T CA -0.350 61.725 62.100 -0.042 0.000 0.985 1080 T CB -0.441 68.407 68.868 -0.033 0.000 1.011 1080 T HN 0.236 nan 8.240 nan 0.000 0.509 1081 L N 2.144 123.349 121.223 -0.030 0.000 2.456 1081 L HA 0.215 4.555 4.340 -0.001 0.000 0.272 1081 L C 1.845 178.701 176.870 -0.023 0.000 1.189 1081 L CA -0.527 54.300 54.840 -0.022 0.000 0.846 1081 L CB 0.446 42.496 42.059 -0.016 0.000 1.111 1081 L HN 0.162 nan 8.230 nan 0.000 0.475 1082 M N 2.211 121.800 119.600 -0.018 0.000 2.549 1082 M HA -0.100 4.379 4.480 -0.001 0.000 0.260 1082 M C 1.556 177.851 176.300 -0.008 0.000 1.076 1082 M CA 0.975 56.264 55.300 -0.017 0.000 1.090 1082 M CB -0.971 31.620 32.600 -0.014 0.000 1.418 1082 M HN 0.750 nan 8.290 nan 0.000 0.486 1083 N N 0.581 119.282 118.700 0.002 0.000 2.398 1083 N HA -0.076 4.664 4.740 -0.001 0.000 0.188 1083 N C 0.284 175.810 175.510 0.027 0.000 1.122 1083 N CA 0.049 53.113 53.050 0.024 0.000 0.866 1083 N CB -0.263 38.241 38.487 0.028 0.000 0.970 1083 N HN 0.344 nan 8.380 nan 0.000 0.462 1084 E N 1.538 121.733 120.200 -0.009 0.000 2.558 1084 E HA -0.149 4.200 4.350 -0.001 0.000 0.255 1084 E C 1.279 177.845 176.600 -0.056 0.000 0.968 1084 E CA -0.092 56.285 56.400 -0.037 0.000 0.939 1084 E CB 0.735 30.399 29.700 -0.060 0.000 0.921 1084 E HN 0.285 nan 8.360 nan 0.000 0.477 1085 Q N 3.275 123.007 119.800 -0.114 0.000 2.082 1085 Q HA -0.317 4.022 4.340 -0.001 0.000 0.211 1085 Q C 1.665 177.524 176.000 -0.235 0.000 1.002 1085 Q CA 2.670 58.302 55.803 -0.285 0.000 0.868 1085 Q CB -0.336 28.140 28.738 -0.437 0.000 0.931 1085 Q HN 0.737 nan 8.270 nan 0.000 0.414 1086 S N -1.261 114.334 115.700 -0.175 0.000 2.493 1086 S HA -0.075 4.394 4.470 -0.001 0.000 0.243 1086 S C 1.531 176.067 174.600 -0.107 0.000 0.991 1086 S CA 1.213 59.330 58.200 -0.139 0.000 0.957 1086 S CB -0.050 63.077 63.200 -0.122 0.000 0.756 1086 S HN 0.373 nan 8.310 nan 0.000 0.521 1087 S N 0.416 116.060 115.700 -0.092 0.000 2.512 1087 S HA 0.326 4.795 4.470 -0.001 0.000 0.216 1087 S C 1.562 176.120 174.600 -0.071 0.000 1.006 1087 S CA -0.575 57.580 58.200 -0.075 0.000 0.915 1087 S CB 0.214 63.378 63.200 -0.060 0.000 0.824 1087 S HN 0.366 nan 8.310 nan 0.000 0.497 1088 R N 1.763 122.240 120.500 -0.038 0.000 2.282 1088 R HA 0.276 4.615 4.340 -0.001 0.000 0.195 1088 R C 0.892 177.188 176.300 -0.006 0.000 0.909 1088 R CA 0.265 56.384 56.100 0.031 0.000 1.039 1088 R CB -0.033 30.414 30.300 0.244 0.000 1.015 1088 R HN 0.477 nan 8.270 nan 0.000 0.513 1089 S N 0.350 116.013 115.700 -0.063 0.000 2.718 1089 S HA 0.446 4.915 4.470 -0.001 0.000 0.300 1089 S C -0.258 174.156 174.600 -0.310 0.000 1.117 1089 S CA -0.739 57.403 58.200 -0.095 0.000 1.002 1089 S CB 1.665 64.866 63.200 0.001 0.000 1.092 1089 S HN 0.141 nan 8.310 nan 0.000 0.542 1090 H N 0.475 119.615 119.070 0.117 0.000 2.466 1090 H HA 0.484 5.039 4.556 -0.001 0.000 0.338 1090 H C -1.031 174.362 175.328 0.108 0.000 1.091 1090 H CA -0.590 55.523 56.048 0.108 0.000 1.207 1090 H CB 1.421 31.249 29.762 0.111 0.000 1.466 1090 H HN 0.462 nan 8.280 nan 0.000 0.493 1091 L N 5.261 126.610 121.223 0.210 0.000 2.325 1091 L HA 0.463 4.802 4.340 -0.001 0.000 0.281 1091 L C -0.907 176.092 176.870 0.216 0.000 1.004 1091 L CA -0.701 54.245 54.840 0.177 0.000 0.823 1091 L CB 0.911 43.043 42.059 0.122 0.000 1.236 1091 L HN 0.532 nan 8.230 nan 0.000 0.415 1092 I N 5.384 126.067 120.570 0.188 0.000 2.406 1092 I HA 0.373 4.542 4.170 -0.001 0.000 0.290 1092 I C -0.617 175.577 176.117 0.128 0.000 0.999 1092 I CA -0.726 60.674 61.300 0.167 0.000 1.124 1092 I CB 2.241 40.328 38.000 0.145 0.000 1.289 1092 I HN 0.250 nan 8.210 nan 0.000 0.441 1093 V N 5.826 125.809 119.914 0.114 0.000 2.444 1093 V HA 0.581 4.700 4.120 -0.001 0.000 0.294 1093 V C -0.511 175.552 176.094 -0.052 0.000 1.022 1093 V CA 0.130 62.452 62.300 0.036 0.000 0.850 1093 V CB 1.944 33.837 31.823 0.117 0.000 0.992 1093 V HN 0.801 nan 8.190 nan 0.000 0.426 1094 S N 4.733 120.244 115.700 -0.315 0.000 2.526 1094 S HA 0.798 5.267 4.470 -0.001 0.000 0.293 1094 S C -0.945 173.470 174.600 -0.308 0.000 1.092 1094 S CA -0.561 57.425 58.200 -0.358 0.000 0.980 1094 S CB 2.006 64.846 63.200 -0.600 0.000 1.048 1094 S HN 0.671 nan 8.310 nan 0.000 0.483 1095 V N 3.503 123.341 119.914 -0.127 0.000 2.483 1095 V HA 0.469 4.589 4.120 -0.001 0.000 0.297 1095 V C -0.641 175.438 176.094 -0.025 0.000 1.027 1095 V CA -0.548 61.721 62.300 -0.053 0.000 0.855 1095 V CB 1.468 33.293 31.823 0.003 0.000 0.995 1095 V HN 0.801 nan 8.190 nan 0.000 0.424 1096 I N 5.825 126.400 120.570 0.009 0.000 2.325 1096 I HA 0.425 4.594 4.170 -0.001 0.000 0.291 1096 I C -0.446 175.689 176.117 0.030 0.000 1.019 1096 I CA -0.164 61.157 61.300 0.035 0.000 1.302 1096 I CB 1.215 39.261 38.000 0.076 0.000 1.401 1096 I HN 0.466 nan 8.210 nan 0.000 0.485 1097 I N 6.093 126.677 120.570 0.024 0.000 2.371 1097 I HA 0.234 4.404 4.170 -0.001 0.000 0.282 1097 I C -0.127 176.032 176.117 0.070 0.000 1.031 1097 I CA -0.481 60.839 61.300 0.033 0.000 1.180 1097 I CB 1.130 39.128 38.000 -0.004 0.000 1.336 1097 I HN 0.507 nan 8.210 nan 0.000 0.467 1098 E N 5.556 125.810 120.200 0.091 0.000 2.174 1098 E HA 0.452 4.802 4.350 -0.001 0.000 0.282 1098 E C -0.648 176.022 176.600 0.117 0.000 0.992 1098 E CA -0.379 56.071 56.400 0.083 0.000 0.803 1098 E CB 1.101 30.839 29.700 0.064 0.000 1.090 1098 E HN 0.564 nan 8.360 nan 0.000 0.396 1099 S N 2.657 118.403 115.700 0.077 0.000 2.594 1099 S HA 0.552 5.022 4.470 -0.001 0.000 0.296 1099 S C -0.648 173.956 174.600 0.007 0.000 1.124 1099 S CA -0.889 57.304 58.200 -0.011 0.000 1.011 1099 S CB 1.610 64.797 63.200 -0.021 0.000 1.016 1099 S HN 0.329 nan 8.310 nan 0.000 0.485 1100 T N 3.238 117.758 114.554 -0.056 0.000 2.795 1100 T HA 0.374 4.724 4.350 -0.001 0.000 0.282 1100 T C -0.096 174.559 174.700 -0.074 0.000 0.980 1100 T CA -0.553 61.525 62.100 -0.036 0.000 1.012 1100 T CB 0.526 69.357 68.868 -0.061 0.000 0.936 1100 T HN 0.799 nan 8.240 nan 0.000 0.457 1101 N N 3.387 122.011 118.700 -0.126 0.000 2.406 1101 N HA 0.168 4.908 4.740 -0.001 0.000 0.251 1101 N C 1.202 176.510 175.510 -0.336 0.000 1.069 1101 N CA -0.502 52.279 53.050 -0.448 0.000 0.947 1101 N CB 0.359 38.612 38.487 -0.389 0.000 1.111 1101 N HN 0.551 nan 8.380 nan 0.000 0.497 1102 L N 2.073 123.073 121.223 -0.372 0.000 2.549 1102 L HA -0.141 4.199 4.340 -0.001 0.000 0.230 1102 L C 1.993 178.748 176.870 -0.191 0.000 1.162 1102 L CA 0.718 55.422 54.840 -0.226 0.000 0.834 1102 L CB -0.286 41.658 42.059 -0.191 0.000 0.947 1102 L HN 0.702 nan 8.230 nan 0.000 0.452 1103 Q N -0.147 119.516 119.800 -0.229 0.000 2.462 1103 Q HA -0.058 4.281 4.340 -0.001 0.000 0.224 1103 Q C 1.969 177.897 176.000 -0.120 0.000 0.911 1103 Q CA 1.708 57.416 55.803 -0.158 0.000 0.925 1103 Q CB 0.056 28.696 28.738 -0.163 0.000 1.063 1103 Q HN 0.350 nan 8.270 nan 0.000 0.572 1104 T N -2.840 111.635 114.554 -0.132 0.000 3.022 1104 T HA 0.149 4.499 4.350 -0.001 0.000 0.250 1104 T C 0.350 175.003 174.700 -0.077 0.000 1.060 1104 T CA 0.325 62.371 62.100 -0.089 0.000 1.013 1104 T CB 0.222 69.043 68.868 -0.078 0.000 0.982 1104 T HN 0.195 nan 8.240 nan 0.000 0.508 1105 Q N -0.204 119.537 119.800 -0.098 0.000 2.452 1105 Q HA -0.148 4.192 4.340 -0.001 0.000 0.248 1105 Q C 0.370 176.338 176.000 -0.053 0.000 0.874 1105 Q CA 0.888 56.645 55.803 -0.076 0.000 1.208 1105 Q CB -2.291 26.413 28.738 -0.056 0.000 1.569 1105 Q HN 0.931 nan 8.270 nan 0.000 0.579 1106 A N 0.185 122.975 122.820 -0.051 0.000 2.332 1106 A HA 0.597 4.916 4.320 -0.001 0.000 0.258 1106 A C 0.194 177.776 177.584 -0.004 0.000 1.087 1106 A CA -0.165 51.859 52.037 -0.022 0.000 0.802 1106 A CB 0.504 19.497 19.000 -0.011 0.000 1.042 1106 A HN 0.170 nan 8.150 nan 0.000 0.489 1107 I N 0.666 121.240 120.570 0.006 0.000 2.436 1107 I HA 0.545 4.715 4.170 -0.001 0.000 0.289 1107 I C 0.447 176.577 176.117 0.021 0.000 1.010 1107 I CA 0.163 61.474 61.300 0.018 0.000 1.098 1107 I CB 1.780 39.784 38.000 0.006 0.000 1.266 1107 I HN 0.711 nan 8.210 nan 0.000 0.434 1108 A N 6.052 128.893 122.820 0.036 0.000 2.325 1108 A HA 0.884 5.203 4.320 -0.001 0.000 0.333 1108 A C -0.160 177.434 177.584 0.016 0.000 1.155 1108 A CA -0.663 51.383 52.037 0.015 0.000 0.814 1108 A CB 0.927 19.937 19.000 0.017 0.000 1.206 1108 A HN 0.708 nan 8.150 nan 0.000 0.482 1109 R N 1.862 122.362 120.500 -0.001 0.000 2.576 1109 R HA 0.444 4.783 4.340 -0.001 0.000 0.283 1109 R C 0.029 176.331 176.300 0.004 0.000 1.493 1109 R CA 0.030 56.137 56.100 0.011 0.000 1.170 1109 R CB 0.755 31.063 30.300 0.012 0.000 1.189 1109 R HN 0.972 nan 8.270 nan 0.000 0.542 1110 G N 1.476 110.282 108.800 0.010 0.000 2.557 1110 G HA2 0.383 4.342 3.960 -0.001 0.000 0.302 1110 G HA3 0.383 4.342 3.960 -0.001 0.000 0.302 1110 G C -1.225 173.685 174.900 0.017 0.000 1.311 1110 G CA -0.428 44.680 45.100 0.014 0.000 1.030 1110 G HN 0.340 nan 8.290 nan 0.000 0.509 1111 K N -0.774 119.634 120.400 0.014 0.000 2.543 1111 K HA 0.469 4.788 4.320 -0.001 0.000 0.255 1111 K C -2.195 174.384 176.600 -0.036 0.000 0.934 1111 K CA -0.756 55.529 56.287 -0.004 0.000 0.810 1111 K CB 2.214 34.717 32.500 0.006 0.000 1.315 1111 K HN 0.306 nan 8.250 nan 0.000 0.433 1112 L N 2.944 124.135 121.223 -0.054 0.000 2.342 1112 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 1112 L C -1.266 175.530 176.870 -0.124 0.000 0.997 1112 L CA 0.067 54.844 54.840 -0.105 0.000 0.838 1112 L CB 1.530 43.573 42.059 -0.028 0.000 1.224 1112 L HN 0.576 nan 8.230 nan 0.000 0.416 1113 S N 4.824 120.390 115.700 -0.223 0.000 2.519 1113 S HA 0.708 5.178 4.470 -0.001 0.000 0.309 1113 S C -1.084 173.351 174.600 -0.276 0.000 1.100 1113 S CA -0.366 57.739 58.200 -0.158 0.000 1.059 1113 S CB 0.411 63.553 63.200 -0.096 0.000 1.008 1113 S HN 0.324 nan 8.310 nan 0.000 0.478 1114 F N 3.636 123.565 119.950 -0.035 0.000 2.436 1114 F HA 0.598 5.125 4.527 -0.001 0.000 0.340 1114 F C -0.033 175.788 175.800 0.036 0.000 1.113 1114 F CA -0.641 57.342 58.000 -0.028 0.000 1.022 1114 F CB 1.957 40.869 39.000 -0.147 0.000 1.128 1114 F HN 0.263 nan 8.300 nan 0.000 0.466 1115 V N 2.519 122.587 119.914 0.256 0.000 2.487 1115 V HA 0.319 4.438 4.120 -0.001 0.000 0.298 1115 V C -1.010 175.268 176.094 0.307 0.000 1.028 1115 V CA -0.761 61.701 62.300 0.270 0.000 0.860 1115 V CB 1.859 33.830 31.823 0.247 0.000 0.991 1115 V HN 0.603 nan 8.190 nan 0.000 0.427 1116 D N 4.866 125.442 120.400 0.293 0.000 2.461 1116 D HA 0.435 5.074 4.640 -0.001 0.000 0.240 1116 D C -0.303 176.151 176.300 0.257 0.000 1.094 1116 D CA -0.203 53.958 54.000 0.268 0.000 0.868 1116 D CB 1.052 42.032 40.800 0.299 0.000 1.062 1116 D HN 0.371 nan 8.370 nan 0.000 0.530 1117 L N 1.581 122.977 121.223 0.289 0.000 2.475 1117 L HA 0.512 4.852 4.340 -0.001 0.000 0.253 1117 L C 1.200 178.130 176.870 0.100 0.000 1.198 1117 L CA -0.884 54.167 54.840 0.352 0.000 0.814 1117 L CB 0.669 42.958 42.059 0.383 0.000 1.134 1117 L HN 0.360 nan 8.230 nan 0.000 0.478 1118 A N 0.412 123.185 122.820 -0.079 0.000 2.332 1118 A HA 0.485 4.805 4.320 -0.001 0.000 0.258 1118 A C 0.503 178.011 177.584 -0.125 0.000 1.087 1118 A CA 0.057 51.959 52.037 -0.226 0.000 0.802 1118 A CB 0.078 18.815 19.000 -0.439 0.000 1.042 1118 A HN 0.787 nan 8.150 nan 0.000 0.489 1119 G N -0.073 108.651 108.800 -0.126 0.000 2.391 1119 G HA2 0.305 4.264 3.960 -0.001 0.000 0.234 1119 G HA3 0.305 4.264 3.960 -0.001 0.000 0.234 1119 G C 1.040 175.824 174.900 -0.194 0.000 1.284 1119 G CA 0.404 45.416 45.100 -0.147 0.000 0.873 1119 G HN 1.443 nan 8.290 nan 0.000 0.549 1120 S N 0.642 116.158 115.700 -0.307 0.000 2.527 1120 S HA -0.020 4.449 4.470 -0.001 0.000 0.222 1120 S C 1.003 175.502 174.600 -0.168 0.000 0.985 1120 S CA 0.524 58.510 58.200 -0.356 0.000 0.921 1120 S CB -0.150 62.647 63.200 -0.671 0.000 0.772 1120 S HN 0.802 nan 8.310 nan 0.000 0.529 1121 E N 1.767 121.898 120.200 -0.115 0.000 2.398 1121 E HA 0.161 4.510 4.350 -0.001 0.000 0.263 1121 E C -0.382 176.196 176.600 -0.037 0.000 1.046 1121 E CA -0.495 55.872 56.400 -0.055 0.000 0.908 1121 E CB 0.511 30.186 29.700 -0.041 0.000 0.963 1121 E HN 0.059 nan 8.360 nan 0.000 0.431 1122 R N 1.321 121.814 120.500 -0.011 0.000 2.490 1122 R HA 0.306 4.645 4.340 -0.001 0.000 0.280 1122 R C -0.482 175.817 176.300 -0.001 0.000 1.077 1122 R CA -0.334 55.766 56.100 -0.000 0.000 1.065 1122 R CB 0.866 31.176 30.300 0.017 0.000 1.003 1122 R HN 0.465 nan 8.270 nan 0.000 0.470 1139 I N 3.439 123.999 120.570 -0.017 0.000 3.793 1139 I HA 0.403 4.572 4.170 -0.001 0.000 0.315 1139 I C 1.412 177.519 176.117 -0.016 0.000 1.275 1139 I CA 0.239 61.532 61.300 -0.011 0.000 1.214 1139 I CB -0.774 37.201 38.000 -0.043 0.000 1.018 1139 I HN 0.275 nan 8.210 nan 0.000 0.439 1140 N N 1.650 120.345 118.700 -0.009 0.000 2.364 1140 N HA -0.193 4.546 4.740 -0.001 0.000 0.183 1140 N C 1.589 177.089 175.510 -0.016 0.000 1.022 1140 N CA 0.875 53.922 53.050 -0.005 0.000 0.883 1140 N CB 0.072 38.564 38.487 0.007 0.000 0.965 1140 N HN 0.549 nan 8.380 nan 0.000 0.438 1141 K N -0.062 120.324 120.400 -0.023 0.000 2.280 1141 K HA -0.038 4.281 4.320 -0.001 0.000 0.202 1141 K C 2.006 178.495 176.600 -0.184 0.000 1.047 1141 K CA 1.375 57.646 56.287 -0.027 0.000 0.942 1141 K CB -0.176 32.362 32.500 0.063 0.000 0.739 1141 K HN 0.084 nan 8.250 nan 0.000 0.457 1142 S N 1.181 116.648 115.700 -0.388 0.000 2.371 1142 S HA -0.013 4.456 4.470 -0.001 0.000 0.224 1142 S C 1.933 176.415 174.600 -0.197 0.000 1.029 1142 S CA 0.441 58.254 58.200 -0.645 0.000 0.978 1142 S CB -0.231 62.646 63.200 -0.539 0.000 0.833 1142 S HN 0.149 nan 8.310 nan 0.000 0.466 1143 L N 1.856 123.055 121.223 -0.040 0.000 2.240 1143 L HA 0.176 4.515 4.340 -0.001 0.000 0.211 1143 L C 2.858 179.787 176.870 0.099 0.000 1.106 1143 L CA 1.431 56.309 54.840 0.064 0.000 0.793 1143 L CB -1.608 40.490 42.059 0.066 0.000 0.927 1143 L HN 0.544 nan 8.230 nan 0.000 0.446 1144 S N -0.035 115.696 115.700 0.051 0.000 2.383 1144 S HA -0.092 4.377 4.470 -0.001 0.000 0.227 1144 S C 2.162 176.808 174.600 0.076 0.000 1.026 1144 S CA 1.160 59.407 58.200 0.077 0.000 0.981 1144 S CB 0.190 63.421 63.200 0.051 0.000 0.818 1144 S HN 0.397 nan 8.310 nan 0.000 0.472 1145 A N 1.615 124.458 122.820 0.038 0.000 1.855 1145 A HA 0.048 4.367 4.320 -0.001 0.000 0.215 1145 A C 2.150 179.769 177.584 0.059 0.000 1.191 1145 A CA 1.601 53.668 52.037 0.051 0.000 0.613 1145 A CB -1.163 17.874 19.000 0.062 0.000 0.829 1145 A HN 0.562 nan 8.150 nan 0.000 0.442 1146 L N 0.316 121.577 121.223 0.063 0.000 2.129 1146 L HA -0.129 4.211 4.340 -0.001 0.000 0.212 1146 L C 2.347 179.306 176.870 0.149 0.000 1.087 1146 L CA 2.216 57.114 54.840 0.097 0.000 0.757 1146 L CB -0.809 41.328 42.059 0.130 0.000 0.896 1146 L HN 0.349 nan 8.230 nan 0.000 0.434 1147 G N -1.440 107.487 108.800 0.212 0.000 2.402 1147 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.216 1147 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.216 1147 G C 1.244 176.175 174.900 0.051 0.000 1.162 1147 G CA 0.787 46.017 45.100 0.216 0.000 0.777 1147 G HN 0.418 nan 8.290 nan 0.000 0.539 1148 D N 0.298 120.726 120.400 0.046 0.000 2.144 1148 D HA -0.077 4.563 4.640 -0.001 0.000 0.200 1148 D C 2.756 179.029 176.300 -0.046 0.000 0.978 1148 D CA 0.615 54.620 54.000 0.008 0.000 0.833 1148 D CB -0.391 40.421 40.800 0.021 0.000 0.961 1148 D HN 0.216 nan 8.370 nan 0.000 0.470 1149 V N 1.286 121.163 119.914 -0.060 0.000 2.270 1149 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 1149 V C 2.565 178.591 176.094 -0.113 0.000 1.043 1149 V CA 1.048 63.272 62.300 -0.126 0.000 1.014 1149 V CB -0.337 31.434 31.823 -0.086 0.000 0.645 1149 V HN 0.167 nan 8.190 nan 0.000 0.447 1150 I N -0.031 120.477 120.570 -0.103 0.000 2.264 1150 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 1150 I C 2.699 178.724 176.117 -0.152 0.000 1.111 1150 I CA 1.868 63.077 61.300 -0.152 0.000 1.382 1150 I CB -0.379 37.444 38.000 -0.294 0.000 1.060 1150 I HN 0.337 nan 8.210 nan 0.000 0.418 1151 S N 0.407 116.027 115.700 -0.133 0.000 2.357 1151 S HA -0.113 4.356 4.470 -0.001 0.000 0.221 1151 S C 2.237 176.796 174.600 -0.069 0.000 1.031 1151 S CA 1.249 59.393 58.200 -0.094 0.000 0.982 1151 S CB -0.170 62.996 63.200 -0.057 0.000 0.853 1151 S HN 0.458 nan 8.310 nan 0.000 0.458 1152 A N 1.419 124.196 122.820 -0.071 0.000 1.908 1152 A HA 0.017 4.336 4.320 -0.001 0.000 0.218 1152 A C 2.203 179.743 177.584 -0.074 0.000 1.181 1152 A CA 1.490 53.487 52.037 -0.066 0.000 0.627 1152 A CB -0.772 18.170 19.000 -0.097 0.000 0.818 1152 A HN 0.576 nan 8.150 nan 0.000 0.445 1153 L N -1.149 120.019 121.223 -0.090 0.000 2.023 1153 L HA -0.122 4.218 4.340 -0.001 0.000 0.205 1153 L C 2.914 179.753 176.870 -0.052 0.000 1.073 1153 L CA 1.474 56.273 54.840 -0.069 0.000 0.745 1153 L CB -0.561 41.462 42.059 -0.060 0.000 0.900 1153 L HN 0.478 nan 8.230 nan 0.000 0.435 1154 S N -0.700 114.962 115.700 -0.063 0.000 2.383 1154 S HA -0.181 4.288 4.470 -0.001 0.000 0.229 1154 S C 2.035 176.611 174.600 -0.041 0.000 1.030 1154 S CA 1.848 60.015 58.200 -0.056 0.000 1.002 1154 S CB -0.105 63.048 63.200 -0.077 0.000 0.829 1154 S HN 0.376 nan 8.310 nan 0.000 0.467 1155 S N -0.356 115.321 115.700 -0.038 0.000 2.562 1155 S HA 0.310 4.779 4.470 -0.001 0.000 0.221 1155 S C 1.379 175.967 174.600 -0.020 0.000 0.975 1155 S CA 0.635 58.820 58.200 -0.025 0.000 0.918 1155 S CB 0.029 63.217 63.200 -0.020 0.000 0.772 1155 S HN 0.955 nan 8.310 nan 0.000 0.531 1156 G N 2.233 111.020 108.800 -0.023 0.000 2.159 1156 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.256 1156 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.256 1156 G C -0.177 174.716 174.900 -0.012 0.000 0.977 1156 G CA -0.295 44.795 45.100 -0.016 0.000 0.652 1156 G HN 0.554 nan 8.290 nan 0.000 0.531 1157 N N 0.377 119.069 118.700 -0.013 0.000 2.411 1157 N HA 0.164 4.904 4.740 -0.001 0.000 0.265 1157 N C 1.244 176.757 175.510 0.004 0.000 1.266 1157 N CA -0.215 52.837 53.050 0.002 0.000 0.889 1157 N CB 0.454 38.947 38.487 0.010 0.000 1.069 1157 N HN 0.098 nan 8.380 nan 0.000 0.476 1158 Q N 0.971 120.785 119.800 0.022 0.000 2.364 1158 Q HA -0.114 4.225 4.340 -0.001 0.000 0.209 1158 Q C -0.062 175.965 176.000 0.045 0.000 0.977 1158 Q CA 1.227 57.045 55.803 0.026 0.000 0.885 1158 Q CB -0.251 28.506 28.738 0.032 0.000 0.941 1158 Q HN 0.524 nan 8.270 nan 0.000 0.464 1159 H N 0.534 119.572 119.070 -0.053 0.000 2.597 1159 H HA 0.193 4.749 4.556 -0.001 0.000 0.303 1159 H C -0.837 174.415 175.328 -0.126 0.000 1.057 1159 H CA -0.529 55.477 56.048 -0.070 0.000 1.261 1159 H CB 0.279 30.011 29.762 -0.050 0.000 1.397 1159 H HN -0.063 nan 8.280 nan 0.000 0.461 1160 I N 8.661 128.903 120.570 -0.546 0.000 2.330 1160 I HA 0.178 4.347 4.170 -0.001 0.000 0.286 1160 I C -2.231 173.391 176.117 -0.826 0.000 1.025 1160 I CA -2.892 58.009 61.300 -0.664 0.000 1.197 1160 I CB 1.176 38.686 38.000 -0.816 0.000 1.358 1160 I HN 0.496 nan 8.210 nan 0.000 0.467 1161 P HA 0.028 nan 4.420 nan 0.000 0.232 1161 P C 0.500 177.692 177.300 -0.180 0.000 1.738 1161 P CA -0.050 62.845 63.100 -0.341 0.000 0.948 1161 P CB -0.208 31.428 31.700 -0.106 0.000 1.943 1162 Y N 1.098 121.339 120.300 -0.099 0.000 2.193 1162 Y HA -0.151 4.399 4.550 -0.001 0.000 0.285 1162 Y C 2.344 178.232 175.900 -0.021 0.000 1.166 1162 Y CA 1.371 59.439 58.100 -0.053 0.000 1.181 1162 Y CB -0.955 37.472 38.460 -0.056 0.000 0.976 1162 Y HN 0.120 nan 8.280 nan 0.000 0.520 1163 R N 0.439 121.020 120.500 0.134 0.000 2.346 1163 R HA -0.068 4.272 4.340 -0.001 0.000 0.199 1163 R C 1.289 177.633 176.300 0.073 0.000 1.015 1163 R CA 0.232 56.383 56.100 0.085 0.000 1.058 1163 R CB -0.284 30.054 30.300 0.063 0.000 0.921 1163 R HN 0.324 nan 8.270 nan 0.000 0.475 1164 N N 0.005 118.756 118.700 0.085 0.000 2.289 1164 N HA -0.103 4.636 4.740 -0.001 0.000 0.184 1164 N C -0.012 175.591 175.510 0.156 0.000 1.016 1164 N CA 1.215 54.325 53.050 0.100 0.000 0.872 1164 N CB 0.048 38.589 38.487 0.090 0.000 0.973 1164 N HN 0.323 nan 8.380 nan 0.000 0.433 1165 H N -1.878 117.213 119.070 0.036 0.000 3.037 1165 H HA 0.252 4.808 4.556 -0.001 0.000 0.336 1165 H C 0.034 175.375 175.328 0.023 0.000 1.323 1165 H CA -0.674 55.391 56.048 0.029 0.000 1.159 1165 H CB 1.009 30.788 29.762 0.028 0.000 1.882 1165 H HN -0.304 nan 8.280 nan 0.000 0.535 1166 K N 1.312 121.616 120.400 -0.161 0.000 2.152 1166 K HA -0.141 4.179 4.320 -0.001 0.000 0.206 1166 K C 1.671 178.339 176.600 0.113 0.000 1.048 1166 K CA 1.468 57.746 56.287 -0.015 0.000 0.933 1166 K CB 0.002 32.460 32.500 -0.070 0.000 0.721 1166 K HN 0.305 nan 8.250 nan 0.000 0.447 1167 L N 1.427 122.818 121.223 0.280 0.000 1.989 1167 L HA -0.199 4.140 4.340 -0.001 0.000 0.211 1167 L C 2.260 179.141 176.870 0.018 0.000 1.071 1167 L CA 2.267 57.145 54.840 0.063 0.000 0.749 1167 L CB -1.123 40.872 42.059 -0.105 0.000 0.890 1167 L HN 0.306 nan 8.230 nan 0.000 0.431 1168 T N -3.663 110.938 114.554 0.078 0.000 2.915 1168 T HA -0.179 4.170 4.350 -0.001 0.000 0.269 1168 T C 1.858 176.613 174.700 0.092 0.000 1.071 1168 T CA 1.565 63.725 62.100 0.101 0.000 1.132 1168 T CB -0.444 68.517 68.868 0.155 0.000 0.878 1168 T HN 0.346 nan 8.240 nan 0.000 0.479 1169 M N 0.376 120.010 119.600 0.056 0.000 2.156 1169 M HA 0.207 4.687 4.480 -0.001 0.000 0.264 1169 M C 2.295 178.562 176.300 -0.055 0.000 1.067 1169 M CA 1.266 56.562 55.300 -0.008 0.000 1.131 1169 M CB -0.444 32.158 32.600 0.004 0.000 1.368 1169 M HN 0.169 nan 8.290 nan 0.000 0.416 1170 L N -0.129 121.082 121.223 -0.021 0.000 2.131 1170 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 1170 L C 1.868 178.704 176.870 -0.057 0.000 1.092 1170 L CA 0.759 55.588 54.840 -0.019 0.000 0.759 1170 L CB -0.149 41.918 42.059 0.013 0.000 0.903 1170 L HN 0.397 nan 8.230 nan 0.000 0.435 1171 M N -1.762 117.789 119.600 -0.082 0.000 2.493 1171 M HA 0.080 4.560 4.480 -0.001 0.000 0.244 1171 M C 1.870 178.074 176.300 -0.160 0.000 1.182 1171 M CA 0.209 55.439 55.300 -0.117 0.000 0.981 1171 M CB 0.037 32.553 32.600 -0.139 0.000 1.551 1171 M HN 0.057 nan 8.290 nan 0.000 0.476 1172 S N 2.199 117.728 115.700 -0.285 0.000 2.365 1172 S HA -0.182 4.288 4.470 -0.001 0.000 0.225 1172 S C 1.458 175.770 174.600 -0.480 0.000 1.039 1172 S CA 2.243 60.026 58.200 -0.695 0.000 1.033 1172 S CB -0.278 62.556 63.200 -0.609 0.000 0.887 1172 S HN 0.636 nan 8.310 nan 0.000 0.447 1173 D N 1.168 121.423 120.400 -0.242 0.000 2.137 1173 D HA 0.020 4.660 4.640 -0.001 0.000 0.202 1173 D C 1.846 178.103 176.300 -0.071 0.000 0.970 1173 D CA 1.073 54.994 54.000 -0.131 0.000 0.837 1173 D CB -0.949 39.803 40.800 -0.080 0.000 0.981 1173 D HN 0.304 nan 8.370 nan 0.000 0.475 1174 S N 0.239 115.896 115.700 -0.071 0.000 2.359 1174 S HA -0.047 4.422 4.470 -0.001 0.000 0.224 1174 S C 0.804 175.403 174.600 -0.003 0.000 1.035 1174 S CA 0.494 58.672 58.200 -0.037 0.000 1.018 1174 S CB -0.132 63.019 63.200 -0.083 0.000 0.876 1174 S HN 0.210 nan 8.310 nan 0.000 0.448 1175 L N 1.477 122.702 121.223 0.003 0.000 2.270 1175 L HA 0.432 4.772 4.340 -0.001 0.000 0.286 1175 L C 1.360 178.316 176.870 0.143 0.000 1.059 1175 L CA 0.451 55.333 54.840 0.071 0.000 0.839 1175 L CB -0.467 41.642 42.059 0.084 0.000 1.221 1175 L HN 0.489 nan 8.230 nan 0.000 0.431 1176 G N 2.598 111.455 108.800 0.094 0.000 2.162 1176 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.260 1176 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.260 1176 G C 0.560 175.520 174.900 0.101 0.000 0.976 1176 G CA 0.302 45.466 45.100 0.107 0.000 0.655 1176 G HN 0.895 nan 8.290 nan 0.000 0.533 1177 G N -0.385 108.446 108.800 0.052 0.000 3.039 1177 G HA2 0.476 4.436 3.960 -0.001 0.000 0.159 1177 G HA3 0.476 4.436 3.960 -0.001 0.000 0.159 1177 G C -0.041 174.867 174.900 0.015 0.000 1.284 1177 G CA 0.143 45.251 45.100 0.013 0.000 0.996 1177 G HN 0.546 nan 8.290 nan 0.000 0.592 1178 N N 0.708 119.410 118.700 0.004 0.000 2.868 1178 N HA 0.547 5.286 4.740 -0.001 0.000 0.252 1178 N C -0.473 175.058 175.510 0.035 0.000 1.130 1178 N CA 0.187 53.254 53.050 0.028 0.000 1.026 1178 N CB -0.018 38.484 38.487 0.025 0.000 1.335 1178 N HN 0.746 nan 8.380 nan 0.000 0.516 1179 A N 1.924 124.766 122.820 0.036 0.000 2.599 1179 A HA 0.393 4.713 4.320 -0.001 0.000 0.294 1179 A C -1.142 176.443 177.584 0.001 0.000 1.055 1179 A CA -0.881 51.174 52.037 0.029 0.000 0.683 1179 A CB 0.976 19.978 19.000 0.004 0.000 1.278 1179 A HN 0.368 nan 8.150 nan 0.000 0.412 1180 K N 1.303 121.685 120.400 -0.030 0.000 2.264 1180 K HA 0.563 4.882 4.320 -0.001 0.000 0.277 1180 K C -0.814 175.747 176.600 -0.065 0.000 1.067 1180 K CA 0.090 56.325 56.287 -0.087 0.000 0.900 1180 K CB 1.065 33.460 32.500 -0.176 0.000 1.124 1180 K HN 0.698 nan 8.250 nan 0.000 0.469 1181 T N 3.326 117.858 114.554 -0.036 0.000 2.856 1181 T HA 0.450 4.799 4.350 -0.001 0.000 0.283 1181 T C -1.291 173.384 174.700 -0.041 0.000 1.008 1181 T CA -0.683 61.418 62.100 0.002 0.000 0.997 1181 T CB 1.175 70.095 68.868 0.087 0.000 0.992 1181 T HN 0.276 nan 8.240 nan 0.000 0.454 1182 L N 3.562 124.750 121.223 -0.059 0.000 2.406 1182 L HA 0.693 5.033 4.340 -0.001 0.000 0.272 1182 L C -0.856 175.880 176.870 -0.223 0.000 0.980 1182 L CA -0.672 54.051 54.840 -0.195 0.000 0.831 1182 L CB 1.622 43.538 42.059 -0.238 0.000 1.253 1182 L HN 0.752 nan 8.230 nan 0.000 0.406 1183 M N 4.401 123.770 119.600 -0.385 0.000 2.336 1183 M HA 0.515 4.995 4.480 -0.001 0.000 0.342 1183 M C -1.750 174.292 176.300 -0.429 0.000 1.128 1183 M CA -0.322 54.565 55.300 -0.688 0.000 1.016 1183 M CB 1.293 33.456 32.600 -0.728 0.000 1.665 1183 M HN 0.570 nan 8.290 nan 0.000 0.445 1184 F N 3.761 123.474 119.950 -0.395 0.000 2.427 1184 F HA 0.496 5.022 4.527 -0.001 0.000 0.346 1184 F C -0.285 175.457 175.800 -0.096 0.000 1.120 1184 F CA -0.479 57.452 58.000 -0.115 0.000 1.033 1184 F CB 1.848 40.849 39.000 0.002 0.000 1.126 1184 F HN 0.334 nan 8.300 nan 0.000 0.462 1185 V N 6.025 125.960 119.914 0.036 0.000 2.311 1185 V HA 0.429 4.548 4.120 -0.001 0.000 0.275 1185 V C -0.777 175.368 176.094 0.085 0.000 1.022 1185 V CA -0.496 61.833 62.300 0.048 0.000 0.830 1185 V CB 0.464 32.206 31.823 -0.135 0.000 1.012 1185 V HN 0.742 nan 8.190 nan 0.000 0.452 1186 N N 6.993 125.775 118.700 0.137 0.000 2.472 1186 N HA 0.683 5.423 4.740 -0.001 0.000 0.277 1186 N C -0.527 175.013 175.510 0.050 0.000 1.081 1186 N CA -0.288 52.828 53.050 0.110 0.000 0.973 1186 N CB 1.421 39.973 38.487 0.109 0.000 1.105 1186 N HN 0.809 nan 8.380 nan 0.000 0.470 1187 I N -2.373 118.217 120.570 0.033 0.000 2.769 1187 I HA 0.614 4.783 4.170 -0.001 0.000 0.298 1187 I C -0.514 175.603 176.117 0.001 0.000 1.128 1187 I CA -0.992 60.309 61.300 0.003 0.000 1.031 1187 I CB 2.247 40.235 38.000 -0.020 0.000 1.235 1187 I HN 0.308 nan 8.210 nan 0.000 0.423 1188 S N 4.022 119.716 115.700 -0.011 0.000 2.578 1188 S HA 0.617 5.086 4.470 -0.001 0.000 0.283 1188 S C -1.801 172.797 174.600 -0.005 0.000 1.195 1188 S CA -1.519 56.675 58.200 -0.011 0.000 1.050 1188 S CB 1.230 64.420 63.200 -0.016 0.000 1.012 1188 S HN 0.716 nan 8.310 nan 0.000 0.511 1189 P HA 0.242 nan 4.420 nan 0.000 0.261 1189 P C -0.016 177.296 177.300 0.020 0.000 1.268 1189 P CA -0.017 63.093 63.100 0.015 0.000 0.833 1189 P CB -0.088 31.623 31.700 0.019 0.000 1.231 1190 A N 1.152 123.979 122.820 0.012 0.000 2.520 1190 A HA -0.013 4.306 4.320 -0.001 0.000 0.245 1190 A C 1.627 179.229 177.584 0.030 0.000 1.072 1190 A CA -0.092 51.955 52.037 0.017 0.000 0.761 1190 A CB -0.196 18.809 19.000 0.008 0.000 1.004 1190 A HN 0.130 nan 8.150 nan 0.000 0.499 1191 E N 2.034 122.258 120.200 0.040 0.000 2.160 1191 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 1191 E C 1.876 178.511 176.600 0.058 0.000 0.991 1191 E CA 1.689 58.124 56.400 0.059 0.000 0.810 1191 E CB -0.002 29.732 29.700 0.057 0.000 0.742 1191 E HN 0.919 nan 8.360 nan 0.000 0.466 1192 S N 0.025 115.749 115.700 0.041 0.000 2.507 1192 S HA -0.023 4.446 4.470 -0.001 0.000 0.235 1192 S C 1.282 175.907 174.600 0.042 0.000 0.988 1192 S CA 0.591 58.814 58.200 0.038 0.000 0.944 1192 S CB 0.005 63.219 63.200 0.024 0.000 0.762 1192 S HN 0.217 nan 8.310 nan 0.000 0.526 1193 N N 0.773 119.496 118.700 0.038 0.000 2.205 1193 N HA 0.283 5.022 4.740 -0.001 0.000 0.201 1193 N C 1.367 176.903 175.510 0.043 0.000 1.128 1193 N CA -0.052 53.017 53.050 0.032 0.000 0.867 1193 N CB -0.114 38.379 38.487 0.010 0.000 0.996 1193 N HN 0.309 nan 8.380 nan 0.000 0.503 1194 L N 1.160 122.422 121.223 0.066 0.000 2.103 1194 L HA -0.259 4.080 4.340 -0.001 0.000 0.215 1194 L C 1.282 178.228 176.870 0.127 0.000 1.080 1194 L CA 1.678 56.562 54.840 0.073 0.000 0.764 1194 L CB -0.128 42.050 42.059 0.199 0.000 0.890 1194 L HN 0.118 nan 8.230 nan 0.000 0.435 1195 D N -0.807 119.725 120.400 0.221 0.000 2.117 1195 D HA -0.159 4.480 4.640 -0.001 0.000 0.198 1195 D C 2.134 178.540 176.300 0.176 0.000 0.982 1195 D CA 0.874 55.054 54.000 0.299 0.000 0.828 1195 D CB 0.054 40.992 40.800 0.229 0.000 0.967 1195 D HN 0.299 nan 8.370 nan 0.000 0.464 1196 E N 0.349 120.605 120.200 0.093 0.000 2.046 1196 E HA -0.066 4.283 4.350 -0.001 0.000 0.190 1196 E C 2.188 178.799 176.600 0.019 0.000 0.982 1196 E CA 0.675 57.107 56.400 0.054 0.000 0.800 1196 E CB -0.571 29.142 29.700 0.020 0.000 0.756 1196 E HN 0.188 nan 8.360 nan 0.000 0.449 1197 T N 0.930 115.471 114.554 -0.023 0.000 2.665 1197 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 1197 T C 1.719 176.324 174.700 -0.159 0.000 1.035 1197 T CA 1.645 63.691 62.100 -0.091 0.000 1.151 1197 T CB -0.458 68.330 68.868 -0.133 0.000 0.862 1197 T HN 0.321 nan 8.240 nan 0.000 0.438 1198 H N 1.447 120.330 119.070 -0.312 0.000 2.352 1198 H HA -0.065 4.490 4.556 -0.001 0.000 0.299 1198 H C 2.148 177.388 175.328 -0.146 0.000 1.097 1198 H CA 1.439 57.246 56.048 -0.402 0.000 1.311 1198 H CB -0.160 29.168 29.762 -0.723 0.000 1.377 1198 H HN 0.239 nan 8.280 nan 0.000 0.504 1199 N N 0.227 118.983 118.700 0.094 0.000 2.120 1199 N HA -0.111 4.629 4.740 -0.001 0.000 0.188 1199 N C 2.163 177.733 175.510 0.100 0.000 1.024 1199 N CA 1.236 54.367 53.050 0.135 0.000 0.852 1199 N CB -0.291 38.284 38.487 0.146 0.000 1.003 1199 N HN 0.256 nan 8.380 nan 0.000 0.424 1200 S N 1.428 117.165 115.700 0.062 0.000 2.356 1200 S HA 0.009 4.479 4.470 -0.001 0.000 0.223 1200 S C 2.211 176.833 174.600 0.037 0.000 1.032 1200 S CA 0.672 58.951 58.200 0.132 0.000 1.005 1200 S CB -0.317 62.947 63.200 0.106 0.000 0.867 1200 S HN 0.235 nan 8.310 nan 0.000 0.449 1201 L N 1.421 122.564 121.223 -0.134 0.000 2.012 1201 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 1201 L C 3.002 179.818 176.870 -0.090 0.000 1.073 1201 L CA 1.677 56.387 54.840 -0.217 0.000 0.748 1201 L CB -1.477 40.187 42.059 -0.659 0.000 0.891 1201 L HN 0.493 nan 8.230 nan 0.000 0.431 1202 T N -3.414 111.048 114.554 -0.154 0.000 2.821 1202 T HA -0.279 4.071 4.350 -0.001 0.000 0.267 1202 T C 1.814 176.562 174.700 0.081 0.000 1.046 1202 T CA 1.160 63.248 62.100 -0.020 0.000 1.139 1202 T CB -0.716 68.138 68.868 -0.022 0.000 0.871 1202 T HN 0.303 nan 8.240 nan 0.000 0.454 1203 Y N 2.245 122.524 120.300 -0.036 0.000 2.145 1203 Y HA 0.111 4.661 4.550 -0.001 0.000 0.286 1203 Y C 2.839 178.668 175.900 -0.118 0.000 1.145 1203 Y CA 1.170 59.230 58.100 -0.068 0.000 1.148 1203 Y CB -0.676 37.733 38.460 -0.085 0.000 0.981 1203 Y HN 0.298 nan 8.280 nan 0.000 0.507 1204 A N -1.346 121.529 122.820 0.092 0.000 1.969 1204 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 1204 A C 2.327 179.980 177.584 0.115 0.000 1.169 1204 A CA 1.654 53.702 52.037 0.017 0.000 0.635 1204 A CB -0.907 18.042 19.000 -0.086 0.000 0.810 1204 A HN 0.433 nan 8.150 nan 0.000 0.445 1205 S N -0.737 115.079 115.700 0.194 0.000 2.447 1205 S HA -0.080 4.390 4.470 -0.001 0.000 0.233 1205 S C 1.968 176.587 174.600 0.032 0.000 1.006 1205 S CA 0.954 59.250 58.200 0.160 0.000 0.957 1205 S CB -0.216 63.045 63.200 0.102 0.000 0.773 1205 S HN 0.600 nan 8.310 nan 0.000 0.507 1206 R N 0.233 120.716 120.500 -0.028 0.000 2.161 1206 R HA 0.080 4.420 4.340 -0.001 0.000 0.213 1206 R C 1.869 178.118 176.300 -0.085 0.000 1.055 1206 R CA 0.667 56.719 56.100 -0.081 0.000 0.996 1206 R CB -0.159 30.048 30.300 -0.154 0.000 0.901 1206 R HN 0.255 nan 8.270 nan 0.000 0.456 1207 V N 0.698 120.562 119.914 -0.083 0.000 2.809 1207 V HA -0.147 3.972 4.120 -0.001 0.000 0.256 1207 V C 2.108 178.197 176.094 -0.007 0.000 1.080 1207 V CA 1.392 63.665 62.300 -0.045 0.000 1.102 1207 V CB -0.463 31.353 31.823 -0.012 0.000 0.705 1207 V HN 0.247 nan 8.190 nan 0.000 0.475 1208 R N 0.820 121.326 120.500 0.010 0.000 2.148 1208 R HA -0.083 4.257 4.340 -0.001 0.000 0.223 1208 R C 2.330 178.625 176.300 -0.009 0.000 1.088 1208 R CA 1.487 57.596 56.100 0.015 0.000 0.985 1208 R CB -0.227 30.099 30.300 0.044 0.000 0.880 1208 R HN 0.686 nan 8.270 nan 0.000 0.451 1209 S N -0.153 115.536 115.700 -0.019 0.000 2.593 1209 S HA 0.121 4.591 4.470 -0.001 0.000 0.217 1209 S C 0.847 175.433 174.600 -0.023 0.000 0.966 1209 S CA -0.130 58.055 58.200 -0.025 0.000 0.914 1209 S CB -0.102 63.080 63.200 -0.030 0.000 0.776 1209 S HN 0.078 nan 8.310 nan 0.000 0.523 1210 I N 2.340 122.899 120.570 -0.019 0.000 2.529 1210 I HA 0.184 4.354 4.170 -0.001 0.000 0.284 1210 I C -0.538 175.576 176.117 -0.005 0.000 1.082 1210 I CA -0.506 60.786 61.300 -0.012 0.000 1.406 1210 I CB 1.277 39.273 38.000 -0.005 0.000 1.405 1210 I HN -0.003 nan 8.210 nan 0.000 0.548 1211 V N 6.615 126.528 119.914 -0.002 0.000 2.328 1211 V HA 0.276 4.395 4.120 -0.001 0.000 0.278 1211 V C -0.111 175.990 176.094 0.011 0.000 1.021 1211 V CA -0.678 61.622 62.300 0.000 0.000 0.838 1211 V CB 1.069 32.890 31.823 -0.002 0.000 0.999 1211 V HN 0.638 nan 8.190 nan 0.000 0.447 1212 N N 2.711 121.417 118.700 0.010 0.000 2.492 1212 N HA 0.388 5.128 4.740 -0.001 0.000 0.289 1212 N C -0.671 174.849 175.510 0.018 0.000 1.133 1212 N CA -0.551 52.510 53.050 0.018 0.000 0.961 1212 N CB 1.365 39.860 38.487 0.014 0.000 1.186 1212 N HN 0.583 nan 8.380 nan 0.000 0.493 1213 D N 1.240 121.657 120.400 0.028 0.000 2.477 1213 D HA 0.293 4.933 4.640 -0.001 0.000 0.239 1213 D C -2.578 173.754 176.300 0.054 0.000 1.102 1213 D CA -1.812 52.209 54.000 0.036 0.000 0.901 1213 D CB 0.827 41.648 40.800 0.035 0.000 1.026 1213 D HN 0.265 nan 8.370 nan 0.000 0.515 1214 P HA 0.236 nan 4.420 nan 0.000 0.296 1214 P C -0.824 176.628 177.300 0.253 0.000 1.306 1214 P CA -0.544 62.636 63.100 0.133 0.000 0.818 1214 P CB 1.627 33.349 31.700 0.037 0.000 0.969 1215 S N 2.561 118.407 115.700 0.243 0.000 2.538 1215 S HA 0.364 4.833 4.470 -0.001 0.000 0.288 1215 S C -0.571 174.007 174.600 -0.037 0.000 1.108 1215 S CA -0.819 57.467 58.200 0.143 0.000 0.971 1215 S CB 0.876 64.113 63.200 0.061 0.000 1.041 1215 S HN 0.203 nan 8.310 nan 0.000 0.483 1216 K N 3.035 123.248 120.400 -0.310 0.000 2.368 1216 K HA 0.113 4.433 4.320 -0.001 0.000 0.282 1216 K C 0.117 176.597 176.600 -0.200 0.000 1.035 1216 K CA -0.087 55.913 56.287 -0.479 0.000 0.973 1216 K CB 0.278 32.423 32.500 -0.592 0.000 0.957 1216 K HN 0.594 nan 8.250 nan 0.000 0.474 1217 N N 3.128 121.742 118.700 -0.145 0.000 2.521 1217 N HA 0.153 4.892 4.740 -0.001 0.000 0.236 1217 N C -1.124 174.348 175.510 -0.064 0.000 1.067 1217 N CA -0.590 52.417 53.050 -0.072 0.000 0.939 1217 N CB 0.457 38.921 38.487 -0.038 0.000 1.201 1217 N HN 0.304 nan 8.380 nan 0.000 0.511 1218 V N 0.341 120.220 119.914 -0.057 0.000 2.709 1218 V HA 0.657 4.777 4.120 -0.001 0.000 0.308 1218 V C -0.380 175.700 176.094 -0.022 0.000 1.062 1218 V CA -0.828 61.450 62.300 -0.036 0.000 0.901 1218 V CB 1.625 33.423 31.823 -0.042 0.000 1.003 1218 V HN 0.349 nan 8.190 nan 0.000 0.425 1219 S N 2.563 118.256 115.700 -0.012 0.000 2.502 1219 S HA 0.667 5.136 4.470 -0.001 0.000 0.304 1219 S C 0.195 174.789 174.600 -0.009 0.000 1.097 1219 S CA -0.337 57.857 58.200 -0.010 0.000 1.045 1219 S CB 1.656 64.852 63.200 -0.008 0.000 1.019 1219 S HN 1.409 nan 8.310 nan 0.000 0.481 1220 S N 2.370 118.064 115.700 -0.010 0.000 2.587 1220 S HA 0.162 4.631 4.470 -0.001 0.000 0.260 1220 S C 1.307 175.898 174.600 -0.014 0.000 1.353 1220 S CA -0.407 57.785 58.200 -0.012 0.000 0.995 1220 S CB 0.345 63.538 63.200 -0.012 0.000 0.912 1220 S HN 0.805 nan 8.310 nan 0.000 0.568 1221 K N 0.376 120.764 120.400 -0.019 0.000 2.074 1221 K HA -0.249 4.071 4.320 -0.001 0.000 0.209 1221 K C 2.050 178.640 176.600 -0.017 0.000 1.048 1221 K CA 2.074 58.348 56.287 -0.022 0.000 0.926 1221 K CB -0.372 32.112 32.500 -0.026 0.000 0.713 1221 K HN 0.736 nan 8.250 nan 0.000 0.444 1222 E N 0.542 120.734 120.200 -0.014 0.000 2.015 1222 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 1222 E C 1.843 178.438 176.600 -0.009 0.000 0.991 1222 E CA 1.343 57.736 56.400 -0.011 0.000 0.802 1222 E CB -0.537 29.156 29.700 -0.010 0.000 0.759 1222 E HN 0.144 nan 8.360 nan 0.000 0.447 1223 V N 0.495 120.404 119.914 -0.009 0.000 2.407 1223 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 1223 V C 2.141 178.231 176.094 -0.007 0.000 1.055 1223 V CA 2.280 64.576 62.300 -0.007 0.000 1.049 1223 V CB -0.714 31.105 31.823 -0.007 0.000 0.662 1223 V HN 0.437 nan 8.190 nan 0.000 0.455 1224 A N 0.124 122.939 122.820 -0.008 0.000 1.933 1224 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 1224 A C 2.429 180.009 177.584 -0.007 0.000 1.175 1224 A CA 1.795 53.828 52.037 -0.007 0.000 0.628 1224 A CB -0.692 18.302 19.000 -0.010 0.000 0.814 1224 A HN 0.500 nan 8.150 nan 0.000 0.444 1225 R N -0.754 119.741 120.500 -0.009 0.000 2.115 1225 R HA -0.058 4.282 4.340 -0.001 0.000 0.230 1225 R C 1.586 177.883 176.300 -0.006 0.000 1.111 1225 R CA 1.097 57.193 56.100 -0.008 0.000 0.976 1225 R CB -0.395 29.899 30.300 -0.010 0.000 0.870 1225 R HN 0.431 nan 8.270 nan 0.000 0.445 1226 L N 0.780 122.000 121.223 -0.005 0.000 2.162 1226 L HA -0.000 4.339 4.340 -0.001 0.000 0.205 1226 L C 2.056 178.924 176.870 -0.003 0.000 1.086 1226 L CA 1.626 56.463 54.840 -0.004 0.000 0.778 1226 L CB -0.501 41.555 42.059 -0.004 0.000 0.928 1226 L HN 0.018 nan 8.230 nan 0.000 0.446 1227 K N -0.467 119.931 120.400 -0.003 0.000 2.211 1227 K HA -0.179 4.140 4.320 -0.001 0.000 0.203 1227 K C 1.995 178.595 176.600 -0.000 0.000 1.050 1227 K CA 0.819 57.106 56.287 -0.001 0.000 0.945 1227 K CB 0.009 32.509 32.500 -0.001 0.000 0.732 1227 K HN 0.134 nan 8.250 nan 0.000 0.451 1228 K N 1.425 121.825 120.400 -0.001 0.000 2.057 1228 K HA -0.139 4.180 4.320 -0.001 0.000 0.206 1228 K C 2.000 178.600 176.600 0.000 0.000 1.050 1228 K CA 1.078 57.365 56.287 0.000 0.000 0.935 1228 K CB 0.007 32.506 32.500 -0.002 0.000 0.715 1228 K HN 0.126 nan 8.250 nan 0.000 0.439 1229 L N -0.981 120.241 121.223 -0.001 0.000 2.162 1229 L HA 0.030 4.369 4.340 -0.001 0.000 0.205 1229 L C 2.002 178.872 176.870 0.000 0.000 1.086 1229 L CA 0.814 55.654 54.840 -0.000 0.000 0.778 1229 L CB -1.246 40.812 42.059 -0.001 0.000 0.928 1229 L HN -0.061 nan 8.230 nan 0.000 0.446 1230 V N -1.374 118.540 119.914 -0.000 0.000 2.311 1230 V HA -0.349 3.771 4.120 -0.001 0.000 0.259 1230 V C 1.755 177.849 176.094 0.001 0.000 1.086 1230 V CA 1.484 63.784 62.300 -0.000 0.000 1.078 1230 V CB -2.050 29.773 31.823 -0.000 0.000 0.668 1230 V HN 0.562 nan 8.190 nan 0.000 0.452 1245 E N 1.121 121.316 120.200 -0.008 0.000 2.385 1245 E HA 0.184 4.533 4.350 -0.001 0.000 0.194 1245 E C 0.976 177.571 176.600 -0.008 0.000 1.013 1245 E CA 0.362 56.758 56.400 -0.007 0.000 0.866 1245 E CB 0.443 30.139 29.700 -0.006 0.000 0.832 1245 E HN 0.232 nan 8.360 nan 0.000 0.500 1246 L N 0.264 121.481 121.223 -0.012 0.000 2.376 1246 L HA 0.389 4.728 4.340 -0.001 0.000 0.267 1246 L C 0.299 177.161 176.870 -0.013 0.000 1.035 1246 L CA -0.669 54.163 54.840 -0.014 0.000 0.800 1246 L CB 0.930 42.977 42.059 -0.020 0.000 1.290 1246 L HN -0.224 nan 8.230 nan 0.000 0.462 1247 E N -0.624 119.567 120.200 -0.015 0.000 2.392 1247 E HA 0.319 4.668 4.350 -0.001 0.000 0.269 1247 E C -1.376 175.215 176.600 -0.014 0.000 0.924 1247 E CA -0.926 55.467 56.400 -0.012 0.000 0.784 1247 E CB 1.934 31.629 29.700 -0.009 0.000 1.292 1247 E HN 0.313 nan 8.360 nan 0.000 0.447 1248 E N 1.380 121.575 120.200 -0.008 0.000 2.338 1248 E HA 0.136 4.485 4.350 -0.001 0.000 0.272 1248 E C 0.155 176.752 176.600 -0.007 0.000 1.029 1248 E CA -0.226 56.170 56.400 -0.007 0.000 0.872 1248 E CB 0.602 30.302 29.700 0.001 0.000 1.015 1248 E HN 0.338 nan 8.360 nan 0.000 0.417 1249 I N 2.931 123.494 120.570 -0.012 0.000 2.752 1249 I HA -0.096 4.073 4.170 -0.001 0.000 0.287 1249 I C 0.812 176.945 176.117 0.027 0.000 1.188 1249 I CA 0.480 61.771 61.300 -0.015 0.000 1.427 1249 I CB -0.005 37.979 38.000 -0.027 0.000 1.365 1249 I HN 0.232 nan 8.210 nan 0.000 0.585 1250 Q N 3.882 123.714 119.800 0.053 0.000 2.348 1250 Q HA 0.299 4.639 4.340 -0.001 0.000 0.271 1250 Q C -0.765 175.327 176.000 0.154 0.000 1.067 1250 Q CA -0.708 55.144 55.803 0.082 0.000 0.839 1250 Q CB 1.786 30.561 28.738 0.061 0.000 1.354 1250 Q HN 0.373 nan 8.270 nan 0.000 0.447 1251 D N 1.970 122.413 120.400 0.072 0.000 2.934 1251 D HA 0.141 4.781 4.640 -0.001 0.000 0.237 1251 D C -0.058 176.176 176.300 -0.109 0.000 1.158 1251 D CA 0.506 54.470 54.000 -0.060 0.000 0.971 1251 D CB 0.333 41.037 40.800 -0.161 0.000 1.123 1251 D HN 0.366 nan 8.370 nan 0.000 0.467 1252 E N 0.000 120.223 120.200 0.038 0.000 2.725 1252 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 1252 E CA 0.000 56.418 56.400 0.030 0.000 0.976 1252 E CB 0.000 29.730 29.700 0.050 0.000 0.812 1252 E HN 0.000 nan 8.360 nan 0.000 0.440