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 3obt_1_A DATA FIRST_RESID 859 DATA SEQUENCE SAMASINDSK ILSLQNKKNA LVDTSGYNAE VRVGDNVQLN TIYTNDFKLS DATA SEQUENCE SSGDKIIVNL NNNXXXSAIY ENSSVSFWIK ISKDLTNSHN EYTIINSIEQ DATA SEQUENCE NSGWKLCIRN GNIEWILQDV NRKYKSLIFD YSESLSHTGY TNKWFFVTIT DATA SEQUENCE NNIMGYMKLY INGELKQSQK IEDLDEVKLD KTIVFGIDEN IDENQMLWIR DATA SEQUENCE DFNIFSKELS NEDINIVYEG QILRNVIKDY WGNPLKFDTE YYIINDNYID DATA SEQUENCE RYIAPESNVL VLVQYPDRSK LYTGNPITIK SVSDKNPYSR ILNGDNIILH DATA SEQUENCE MLYNSRKYMI IRDTDTIYAX XXXEcSQNcV YALKLQSNLG NYGIGIFSIK DATA SEQUENCE NIVXKNKYCS QIFSSFRENT MLLADIYKPW RFSFKNAYTP VAVTNYETKL DATA SEQUENCE LSTSSFWKFI SRDPGWVEPP 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 859 S HA 0.000 nan 4.470 nan 0.000 0.327 859 S C 0.000 174.599 174.600 -0.001 0.000 1.055 859 S CA 0.000 58.200 58.200 0.000 0.000 1.107 859 S CB 0.000 63.202 63.200 0.004 0.000 0.593 860 A N 4.627 127.441 122.820 -0.009 0.000 1.883 860 A HA -0.078 4.241 4.320 -0.002 0.000 0.217 860 A C 2.022 179.598 177.584 -0.013 0.000 1.186 860 A CA 2.130 54.157 52.037 -0.018 0.000 0.624 860 A CB -0.697 18.285 19.000 -0.030 0.000 0.822 860 A HN 1.003 nan 8.150 nan 0.000 0.444 861 M N 0.260 119.856 119.600 -0.007 0.000 2.202 861 M HA -0.046 4.433 4.480 -0.002 0.000 0.262 861 M C 2.005 178.321 176.300 0.026 0.000 1.063 861 M CA 1.678 56.982 55.300 0.005 0.000 1.097 861 M CB -0.586 32.016 32.600 0.003 0.000 1.382 861 M HN 0.379 nan 8.290 nan 0.000 0.413 862 A N -1.418 121.416 122.820 0.023 0.000 1.854 862 A HA -0.093 4.226 4.320 -0.002 0.000 0.214 862 A C 2.285 179.895 177.584 0.043 0.000 1.192 862 A CA 1.818 53.876 52.037 0.034 0.000 0.611 862 A CB -1.429 17.586 19.000 0.025 0.000 0.832 862 A HN 0.568 nan 8.150 nan 0.000 0.442 863 S N -0.204 115.513 115.700 0.029 0.000 2.380 863 S HA -0.199 4.269 4.470 -0.002 0.000 0.229 863 S C 1.890 176.518 174.600 0.047 0.000 1.043 863 S CA 1.762 59.980 58.200 0.030 0.000 1.038 863 S CB -0.630 62.574 63.200 0.007 0.000 0.872 863 S HN 0.460 nan 8.310 nan 0.000 0.456 864 I N 1.611 122.203 120.570 0.036 0.000 2.113 864 I HA -0.182 3.987 4.170 -0.002 0.000 0.238 864 I C 2.414 178.653 176.117 0.204 0.000 1.070 864 I CA 1.342 62.672 61.300 0.050 0.000 1.332 864 I CB -0.506 37.487 38.000 -0.012 0.000 1.044 864 I HN 0.302 nan 8.210 nan 0.000 0.402 865 N N 0.764 119.565 118.700 0.169 0.000 2.166 865 N HA -0.171 4.568 4.740 -0.002 0.000 0.186 865 N C 1.382 176.983 175.510 0.152 0.000 1.019 865 N CA 1.311 54.466 53.050 0.176 0.000 0.856 865 N CB -0.473 38.082 38.487 0.113 0.000 0.993 865 N HN 0.306 nan 8.380 nan 0.000 0.426 866 D N -0.174 120.300 120.400 0.124 0.000 2.218 866 D HA -0.080 4.559 4.640 -0.002 0.000 0.204 866 D C 1.674 178.063 176.300 0.148 0.000 0.976 866 D CA 0.810 54.880 54.000 0.118 0.000 0.853 866 D CB -0.268 40.585 40.800 0.088 0.000 0.939 866 D HN 0.322 nan 8.370 nan 0.000 0.481 867 S N -0.673 115.134 115.700 0.178 0.000 2.593 867 S HA 0.046 4.515 4.470 -0.002 0.000 0.217 867 S C 0.755 175.456 174.600 0.169 0.000 0.966 867 S CA -0.299 58.011 58.200 0.184 0.000 0.914 867 S CB -0.049 63.268 63.200 0.195 0.000 0.776 867 S HN -0.002 nan 8.310 nan 0.000 0.523 868 K N 1.778 122.249 120.400 0.118 0.000 2.416 868 K HA 0.230 4.549 4.320 -0.002 0.000 0.283 868 K C 0.732 177.319 176.600 -0.021 0.000 1.037 868 K CA 0.102 56.309 56.287 -0.133 0.000 0.995 868 K CB 0.464 32.866 32.500 -0.164 0.000 0.938 868 K HN 0.525 nan 8.250 nan 0.000 0.475 869 I N 0.591 121.075 120.570 -0.144 0.000 4.154 869 I HA 0.245 4.414 4.170 -0.002 0.000 0.334 869 I C -0.470 175.599 176.117 -0.079 0.000 1.371 869 I CA -0.382 60.772 61.300 -0.244 0.000 1.110 869 I CB 0.429 38.186 38.000 -0.405 0.000 1.085 869 I HN 0.248 nan 8.210 nan 0.000 0.398 870 L N 0.410 121.609 121.223 -0.041 0.000 2.513 870 L HA 0.674 5.013 4.340 -0.002 0.000 0.261 870 L C -1.352 175.535 176.870 0.029 0.000 0.945 870 L CA -0.247 54.635 54.840 0.070 0.000 0.848 870 L CB 2.349 44.504 42.059 0.161 0.000 1.334 870 L HN 0.022 nan 8.230 nan 0.000 0.407 871 S N 5.070 120.829 115.700 0.098 0.000 2.737 871 S HA 0.596 5.065 4.470 -0.002 0.000 0.269 871 S C -1.286 173.402 174.600 0.148 0.000 1.150 871 S CA -0.526 57.729 58.200 0.092 0.000 1.077 871 S CB 0.385 63.608 63.200 0.039 0.000 1.075 871 S HN 0.622 nan 8.310 nan 0.000 0.476 872 L N 4.969 126.326 121.223 0.223 0.000 2.283 872 L HA 0.504 4.843 4.340 -0.002 0.000 0.287 872 L C 0.279 177.253 176.870 0.172 0.000 1.073 872 L CA -0.074 54.876 54.840 0.183 0.000 0.822 872 L CB 0.691 42.857 42.059 0.179 0.000 1.186 872 L HN 0.585 nan 8.230 nan 0.000 0.436 873 Q N 2.457 122.327 119.800 0.115 0.000 2.421 873 Q HA 0.313 4.652 4.340 -0.002 0.000 0.280 873 Q C -0.937 175.110 176.000 0.079 0.000 1.085 873 Q CA -0.937 54.929 55.803 0.105 0.000 0.807 873 Q CB 2.933 31.721 28.738 0.084 0.000 1.405 873 Q HN 0.449 nan 8.270 nan 0.000 0.419 874 N N 2.248 120.996 118.700 0.080 0.000 2.408 874 N HA 0.111 4.850 4.740 -0.002 0.000 0.257 874 N C -1.335 174.203 175.510 0.046 0.000 1.064 874 N CA 0.120 53.208 53.050 0.064 0.000 0.952 874 N CB 0.585 39.118 38.487 0.077 0.000 1.093 874 N HN 0.326 nan 8.380 nan 0.000 0.490 875 K N 3.308 123.730 120.400 0.036 0.000 2.463 875 K HA 0.191 4.510 4.320 -0.002 0.000 0.255 875 K C -0.188 176.425 176.600 0.022 0.000 0.942 875 K CA -0.533 55.770 56.287 0.027 0.000 0.814 875 K CB 1.445 33.960 32.500 0.025 0.000 1.122 875 K HN 0.518 nan 8.250 nan 0.000 0.425 876 K N 2.747 123.159 120.400 0.020 0.000 3.278 876 K HA -0.246 4.073 4.320 -0.002 0.000 0.270 876 K C -0.496 176.114 176.600 0.017 0.000 0.955 876 K CA 0.446 56.742 56.287 0.016 0.000 0.723 876 K CB -1.128 31.380 32.500 0.013 0.000 1.382 876 K HN 0.819 nan 8.250 nan 0.000 0.461 877 N N -3.410 115.304 118.700 0.022 0.000 2.753 877 N HA -0.229 4.510 4.740 -0.002 0.000 0.251 877 N C -0.236 175.287 175.510 0.020 0.000 1.097 877 N CA 1.633 54.697 53.050 0.024 0.000 0.786 877 N CB -1.024 37.475 38.487 0.020 0.000 1.137 877 N HN 0.655 nan 8.380 nan 0.000 0.566 878 A N -0.100 122.731 122.820 0.018 0.000 2.374 878 A HA 0.737 5.055 4.320 -0.002 0.000 0.317 878 A C -0.278 177.313 177.584 0.011 0.000 1.094 878 A CA -0.664 51.378 52.037 0.009 0.000 0.765 878 A CB 1.509 20.510 19.000 0.003 0.000 1.268 878 A HN 0.133 nan 8.150 nan 0.000 0.438 879 L N 2.854 124.073 121.223 -0.008 0.000 2.281 879 L HA 0.588 4.927 4.340 -0.002 0.000 0.285 879 L C -0.059 176.798 176.870 -0.022 0.000 1.074 879 L CA 0.306 55.136 54.840 -0.017 0.000 0.817 879 L CB 0.865 42.873 42.059 -0.086 0.000 1.168 879 L HN 0.820 nan 8.230 nan 0.000 0.434 880 V N 1.013 120.931 119.914 0.008 0.000 3.160 880 V HA 0.632 4.751 4.120 -0.002 0.000 0.310 880 V C -0.928 175.193 176.094 0.044 0.000 1.181 880 V CA -1.039 61.271 62.300 0.017 0.000 1.047 880 V CB 1.886 33.723 31.823 0.022 0.000 1.068 880 V HN 0.637 nan 8.190 nan 0.000 0.441 881 D N 1.443 121.877 120.400 0.056 0.000 2.295 881 D HA 0.448 5.087 4.640 -0.002 0.000 0.248 881 D C 0.926 177.270 176.300 0.074 0.000 1.154 881 D CA 0.546 54.597 54.000 0.085 0.000 0.857 881 D CB 1.598 42.460 40.800 0.104 0.000 1.117 881 D HN 0.989 nan 8.370 nan 0.000 0.468 882 T N -0.385 114.214 114.554 0.075 0.000 3.174 882 T HA 0.060 4.409 4.350 -0.002 0.000 0.269 882 T C 1.479 176.216 174.700 0.061 0.000 1.017 882 T CA 0.184 62.318 62.100 0.057 0.000 0.899 882 T CB -0.284 68.614 68.868 0.050 0.000 1.077 882 T HN 0.231 nan 8.240 nan 0.000 0.552 883 S N 0.832 116.590 115.700 0.097 0.000 2.453 883 S HA 0.322 4.791 4.470 -0.002 0.000 0.231 883 S C 2.114 176.758 174.600 0.074 0.000 1.005 883 S CA 0.852 59.133 58.200 0.135 0.000 0.949 883 S CB -0.689 62.664 63.200 0.254 0.000 0.774 883 S HN 1.274 nan 8.310 nan 0.000 0.510 884 G N -0.093 108.708 108.800 0.001 0.000 2.253 884 G HA2 -0.239 3.720 3.960 -0.002 0.000 0.209 884 G HA3 -0.239 3.720 3.960 -0.002 0.000 0.209 884 G C 0.436 175.187 174.900 -0.249 0.000 0.997 884 G CA 0.136 45.136 45.100 -0.167 0.000 0.640 884 G HN 0.554 nan 8.290 nan 0.000 0.496 885 Y N 0.860 121.181 120.300 0.035 0.000 2.490 885 Y HA 0.315 4.864 4.550 -0.002 0.000 0.281 885 Y C 1.410 177.335 175.900 0.043 0.000 1.174 885 Y CA 0.469 58.595 58.100 0.042 0.000 1.295 885 Y CB -0.110 38.381 38.460 0.051 0.000 1.062 885 Y HN 0.397 nan 8.280 nan 0.000 0.522 886 N N -0.674 118.111 118.700 0.141 0.000 2.758 886 N HA -0.182 4.557 4.740 -0.002 0.000 0.248 886 N C -0.210 175.363 175.510 0.104 0.000 1.076 886 N CA 0.035 53.142 53.050 0.095 0.000 0.696 886 N CB -0.911 37.614 38.487 0.062 0.000 0.979 886 N HN 0.363 nan 8.380 nan 0.000 0.550 887 A N 0.550 123.444 122.820 0.124 0.000 2.483 887 A HA 0.143 4.462 4.320 -0.002 0.000 0.238 887 A C 0.672 178.299 177.584 0.071 0.000 1.070 887 A CA 0.058 52.158 52.037 0.104 0.000 0.770 887 A CB 0.354 19.426 19.000 0.120 0.000 1.008 887 A HN 0.415 nan 8.150 nan 0.000 0.497 888 E N 1.201 121.433 120.200 0.054 0.000 2.344 888 E HA 0.389 4.738 4.350 -0.002 0.000 0.270 888 E C -1.216 175.397 176.600 0.022 0.000 1.021 888 E CA -0.209 56.210 56.400 0.032 0.000 0.887 888 E CB 0.509 30.222 29.700 0.023 0.000 0.997 888 E HN 0.346 nan 8.360 nan 0.000 0.429 889 V N 6.466 126.383 119.914 0.004 0.000 2.376 889 V HA 0.335 4.454 4.120 -0.002 0.000 0.287 889 V C -0.278 175.791 176.094 -0.041 0.000 1.015 889 V CA -0.679 61.607 62.300 -0.024 0.000 0.834 889 V CB 1.283 33.082 31.823 -0.041 0.000 1.001 889 V HN 0.660 nan 8.190 nan 0.000 0.428 890 R N 3.565 124.037 120.500 -0.047 0.000 2.239 890 R HA 0.602 4.941 4.340 -0.002 0.000 0.332 890 R C -1.044 175.212 176.300 -0.073 0.000 0.988 890 R CA -0.499 55.572 56.100 -0.048 0.000 0.859 890 R CB 1.908 32.189 30.300 -0.033 0.000 1.148 890 R HN 0.511 nan 8.270 nan 0.000 0.482 891 V N 2.656 122.522 119.914 -0.080 0.000 2.370 891 V HA 0.285 4.404 4.120 -0.002 0.000 0.279 891 V C 1.037 177.093 176.094 -0.065 0.000 1.029 891 V CA -0.814 61.425 62.300 -0.102 0.000 0.870 891 V CB 1.509 33.268 31.823 -0.107 0.000 0.984 891 V HN 0.907 nan 8.190 nan 0.000 0.451 892 G N 2.875 111.639 108.800 -0.061 0.000 2.391 892 G HA2 0.028 3.987 3.960 -0.002 0.000 0.234 892 G HA3 0.028 3.987 3.960 -0.002 0.000 0.234 892 G C 0.634 175.516 174.900 -0.031 0.000 1.284 892 G CA -0.238 44.839 45.100 -0.039 0.000 0.873 892 G HN 0.801 nan 8.290 nan 0.000 0.549 893 D N 1.771 122.157 120.400 -0.023 0.000 2.158 893 D HA -0.139 4.500 4.640 -0.002 0.000 0.197 893 D C 1.935 178.227 176.300 -0.012 0.000 0.995 893 D CA 1.472 55.462 54.000 -0.016 0.000 0.846 893 D CB 0.084 40.876 40.800 -0.013 0.000 0.941 893 D HN 0.620 nan 8.370 nan 0.000 0.456 894 N N -0.342 118.350 118.700 -0.014 0.000 2.398 894 N HA 0.026 4.765 4.740 -0.002 0.000 0.188 894 N C -0.161 175.342 175.510 -0.011 0.000 1.122 894 N CA -0.178 52.865 53.050 -0.012 0.000 0.866 894 N CB 0.807 39.284 38.487 -0.016 0.000 0.970 894 N HN -0.093 nan 8.380 nan 0.000 0.462 895 V N 2.397 122.304 119.914 -0.011 0.000 2.485 895 V HA -0.016 4.103 4.120 -0.002 0.000 0.287 895 V C 0.216 176.325 176.094 0.025 0.000 1.022 895 V CA 0.031 62.331 62.300 0.000 0.000 1.067 895 V CB 0.724 32.539 31.823 -0.014 0.000 0.967 895 V HN 0.249 nan 8.190 nan 0.000 0.479 896 Q N 5.341 125.167 119.800 0.043 0.000 2.279 896 Q HA 0.519 4.858 4.340 -0.002 0.000 0.256 896 Q C -0.632 175.449 176.000 0.135 0.000 0.937 896 Q CA -0.097 55.751 55.803 0.075 0.000 0.933 896 Q CB 1.787 30.570 28.738 0.074 0.000 1.189 896 Q HN 0.597 nan 8.270 nan 0.000 0.417 897 L N 1.990 123.288 121.223 0.125 0.000 2.330 897 L HA 0.382 4.721 4.340 -0.002 0.000 0.271 897 L C 0.629 177.589 176.870 0.151 0.000 1.013 897 L CA -0.990 53.946 54.840 0.161 0.000 0.816 897 L CB 0.882 43.009 42.059 0.113 0.000 1.287 897 L HN 0.660 nan 8.230 nan 0.000 0.435 898 N N 0.695 119.500 118.700 0.175 0.000 2.696 898 N HA -0.189 4.550 4.740 -0.002 0.000 0.256 898 N C 0.596 176.173 175.510 0.113 0.000 1.031 898 N CA 0.946 54.074 53.050 0.131 0.000 0.730 898 N CB -0.431 38.109 38.487 0.088 0.000 0.894 898 N HN 0.968 nan 8.380 nan 0.000 0.544 899 T N -3.154 111.497 114.554 0.163 0.000 3.034 899 T HA 0.316 4.665 4.350 -0.002 0.000 0.248 899 T C 1.778 176.524 174.700 0.076 0.000 1.040 899 T CA 0.782 62.965 62.100 0.138 0.000 1.107 899 T CB 0.138 69.142 68.868 0.227 0.000 0.932 899 T HN 0.298 nan 8.240 nan 0.000 0.474 900 I N -2.026 118.594 120.570 0.083 0.000 3.739 900 I HA 0.368 4.537 4.170 -0.002 0.000 0.272 900 I C -0.237 175.683 176.117 -0.328 0.000 1.167 900 I CA -0.380 60.866 61.300 -0.089 0.000 1.386 900 I CB 0.662 38.685 38.000 0.038 0.000 1.490 900 I HN 0.059 nan 8.210 nan 0.000 0.452 901 Y N 0.855 121.101 120.300 -0.089 0.000 2.468 901 Y HA 0.256 4.806 4.550 -0.001 0.000 0.342 901 Y C 1.559 177.411 175.900 -0.078 0.000 1.021 901 Y CA -0.521 57.464 58.100 -0.192 0.000 1.079 901 Y CB 1.546 39.745 38.460 -0.436 0.000 1.226 901 Y HN -0.148 nan 8.280 nan 0.000 0.460 902 T N 0.432 115.035 114.554 0.081 0.000 2.620 902 T HA -0.217 4.132 4.350 -0.002 0.000 0.267 902 T C 0.861 175.621 174.700 0.101 0.000 1.044 902 T CA 1.868 64.008 62.100 0.066 0.000 1.161 902 T CB -0.199 68.693 68.868 0.041 0.000 0.862 902 T HN 0.533 nan 8.240 nan 0.000 0.438 903 N N 2.310 121.072 118.700 0.103 0.000 2.378 903 N HA 0.123 4.862 4.740 -0.002 0.000 0.243 903 N C -0.574 175.064 175.510 0.213 0.000 1.137 903 N CA -0.063 53.075 53.050 0.147 0.000 0.862 903 N CB 0.039 38.604 38.487 0.130 0.000 1.116 903 N HN 0.666 nan 8.380 nan 0.000 0.499 904 D N 0.184 120.719 120.400 0.225 0.000 2.387 904 D HA 0.452 5.091 4.640 -0.002 0.000 0.255 904 D C -0.194 176.320 176.300 0.357 0.000 1.081 904 D CA -0.602 53.554 54.000 0.262 0.000 0.994 904 D CB 0.680 41.711 40.800 0.385 0.000 1.127 904 D HN 0.056 nan 8.370 nan 0.000 0.513 905 F N -2.663 117.438 119.950 0.251 0.000 2.601 905 F HA 0.567 5.093 4.527 -0.002 0.000 0.309 905 F C -0.657 175.215 175.800 0.120 0.000 1.089 905 F CA -1.354 56.726 58.000 0.133 0.000 0.940 905 F CB 1.670 40.665 39.000 -0.009 0.000 1.273 905 F HN 0.347 nan 8.300 nan 0.000 0.450 906 K N 3.181 123.661 120.400 0.132 0.000 2.235 906 K HA 0.660 4.979 4.320 -0.002 0.000 0.266 906 K C -1.721 174.795 176.600 -0.141 0.000 0.980 906 K CA -0.572 55.572 56.287 -0.238 0.000 0.849 906 K CB 1.171 33.430 32.500 -0.402 0.000 1.098 906 K HN 0.911 nan 8.250 nan 0.000 0.445 907 L N 4.681 125.784 121.223 -0.199 0.000 2.287 907 L HA 0.237 4.576 4.340 -0.002 0.000 0.280 907 L C 0.494 177.222 176.870 -0.236 0.000 1.055 907 L CA -0.432 54.340 54.840 -0.114 0.000 0.863 907 L CB 1.313 43.358 42.059 -0.023 0.000 1.245 907 L HN 0.789 nan 8.230 nan 0.000 0.432 908 S N -0.287 115.289 115.700 -0.208 0.000 2.650 908 S HA 0.307 4.776 4.470 -0.002 0.000 0.240 908 S C 0.188 174.699 174.600 -0.147 0.000 1.007 908 S CA -0.245 57.816 58.200 -0.233 0.000 0.984 908 S CB 0.539 63.609 63.200 -0.217 0.000 0.910 908 S HN 0.551 nan 8.310 nan 0.000 0.509 909 S N 0.775 116.408 115.700 -0.112 0.000 2.627 909 S HA 0.546 5.015 4.470 -0.002 0.000 0.268 909 S C -1.000 173.570 174.600 -0.050 0.000 1.130 909 S CA -0.158 57.999 58.200 -0.071 0.000 0.819 909 S CB 0.704 63.871 63.200 -0.055 0.000 1.100 909 S HN 0.757 nan 8.310 nan 0.000 0.465 910 S N 0.771 116.455 115.700 -0.026 0.000 2.610 910 S HA 0.727 5.196 4.470 -0.002 0.000 0.273 910 S C 1.302 175.894 174.600 -0.014 0.000 1.274 910 S CA 0.363 58.558 58.200 -0.008 0.000 1.023 910 S CB 0.545 63.751 63.200 0.009 0.000 0.962 910 S HN 2.421 nan 8.310 nan 0.000 0.523 911 G N 1.030 109.823 108.800 -0.011 0.000 2.527 911 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.218 911 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.218 911 G C -0.298 174.592 174.900 -0.017 0.000 1.177 911 G CA 0.033 45.125 45.100 -0.014 0.000 0.695 911 G HN 0.767 nan 8.290 nan 0.000 0.517 912 D N 2.439 122.827 120.400 -0.020 0.000 2.451 912 D HA 0.499 5.138 4.640 -0.002 0.000 0.254 912 D C 0.503 176.798 176.300 -0.007 0.000 1.204 912 D CA 0.960 54.949 54.000 -0.019 0.000 0.896 912 D CB 0.675 41.458 40.800 -0.028 0.000 1.136 912 D HN 0.493 nan 8.370 nan 0.000 0.499 913 K N 1.972 122.364 120.400 -0.014 0.000 2.502 913 K HA 0.567 4.886 4.320 -0.002 0.000 0.257 913 K C -0.755 175.821 176.600 -0.040 0.000 0.938 913 K CA -0.715 55.567 56.287 -0.008 0.000 0.819 913 K CB 2.021 34.512 32.500 -0.015 0.000 1.333 913 K HN 0.269 nan 8.250 nan 0.000 0.434 914 I N 3.866 124.416 120.570 -0.033 0.000 2.436 914 I HA 0.411 4.580 4.170 -0.002 0.000 0.289 914 I C -0.712 175.412 176.117 0.012 0.000 1.010 914 I CA -0.789 60.446 61.300 -0.108 0.000 1.098 914 I CB 1.634 39.392 38.000 -0.404 0.000 1.266 914 I HN 0.397 nan 8.210 nan 0.000 0.434 915 I N 6.647 127.203 120.570 -0.022 0.000 2.362 915 I HA 0.374 4.543 4.170 -0.002 0.000 0.289 915 I C -0.556 175.564 176.117 0.006 0.000 0.994 915 I CA -0.800 60.499 61.300 -0.002 0.000 1.158 915 I CB 1.950 39.936 38.000 -0.023 0.000 1.315 915 I HN 0.176 nan 8.210 nan 0.000 0.451 916 V N 5.845 125.784 119.914 0.041 0.000 2.417 916 V HA 0.330 4.449 4.120 -0.002 0.000 0.291 916 V C -0.411 175.707 176.094 0.040 0.000 1.024 916 V CA -0.681 61.654 62.300 0.058 0.000 0.861 916 V CB 1.597 33.504 31.823 0.140 0.000 0.985 916 V HN 0.685 nan 8.190 nan 0.000 0.436 917 N N 4.643 123.366 118.700 0.039 0.000 2.476 917 N HA 0.563 5.302 4.740 -0.002 0.000 0.257 917 N C -0.755 174.789 175.510 0.058 0.000 0.970 917 N CA -0.527 52.544 53.050 0.034 0.000 0.938 917 N CB 1.411 39.909 38.487 0.018 0.000 1.144 917 N HN 0.562 nan 8.380 nan 0.000 0.500 918 L N 1.362 122.627 121.223 0.069 0.000 2.439 918 L HA 0.174 4.513 4.340 -0.002 0.000 0.269 918 L C 1.083 178.000 176.870 0.079 0.000 1.179 918 L CA -0.265 54.628 54.840 0.088 0.000 0.828 918 L CB 0.310 42.428 42.059 0.100 0.000 1.106 918 L HN 0.577 nan 8.230 nan 0.000 0.467 919 N N 1.519 120.276 118.700 0.095 0.000 2.399 919 N HA -0.010 4.729 4.740 -0.002 0.000 0.250 919 N C 0.779 176.343 175.510 0.090 0.000 1.272 919 N CA -0.247 52.861 53.050 0.095 0.000 0.928 919 N CB 0.695 39.259 38.487 0.129 0.000 1.158 919 N HN 0.553 nan 8.380 nan 0.000 0.463 920 N N 0.818 119.566 118.700 0.080 0.000 2.184 920 N HA -0.197 4.542 4.740 -0.002 0.000 0.190 920 N C 0.404 175.960 175.510 0.076 0.000 1.011 920 N CA 1.065 54.155 53.050 0.066 0.000 0.867 920 N CB -0.457 38.061 38.487 0.052 0.000 0.993 920 N HN 0.558 nan 8.380 nan 0.000 0.433 926 A N 2.110 124.986 122.820 0.093 0.000 2.350 926 A HA 0.837 5.156 4.320 -0.002 0.000 0.318 926 A C -0.151 177.564 177.584 0.218 0.000 1.132 926 A CA -0.845 51.267 52.037 0.125 0.000 0.811 926 A CB 0.301 19.356 19.000 0.092 0.000 1.313 926 A HN 0.781 nan 8.150 nan 0.000 0.454 927 I N -0.419 120.265 120.570 0.189 0.000 2.752 927 I HA 0.170 4.339 4.170 -0.002 0.000 0.289 927 I C 0.132 176.386 176.117 0.228 0.000 1.197 927 I CA 0.337 61.748 61.300 0.185 0.000 1.432 927 I CB 0.085 38.157 38.000 0.120 0.000 1.359 927 I HN 0.771 nan 8.210 nan 0.000 0.571 928 Y N 3.555 123.887 120.300 0.054 0.000 2.453 928 Y HA 0.483 5.032 4.550 -0.002 0.000 0.247 928 Y C 0.004 175.928 175.900 0.040 0.000 1.124 928 Y CA -0.553 57.573 58.100 0.042 0.000 1.243 928 Y CB -0.315 38.167 38.460 0.036 0.000 1.213 928 Y HN 0.730 nan 8.280 nan 0.000 0.523 929 E N -0.538 119.556 120.200 -0.176 0.000 2.401 929 E HA 0.296 4.645 4.350 -0.002 0.000 0.280 929 E C -1.405 175.127 176.600 -0.113 0.000 1.039 929 E CA -1.179 55.126 56.400 -0.158 0.000 0.814 929 E CB 0.442 29.976 29.700 -0.278 0.000 1.275 929 E HN -0.083 nan 8.360 nan 0.000 0.448 930 N N 0.760 119.424 118.700 -0.061 0.000 2.265 930 N HA 0.182 4.921 4.740 -0.002 0.000 0.231 930 N C -0.535 174.943 175.510 -0.053 0.000 1.266 930 N CA 1.079 54.104 53.050 -0.042 0.000 0.862 930 N CB 0.441 38.911 38.487 -0.029 0.000 1.100 930 N HN 0.688 nan 8.380 nan 0.000 0.439 931 S N -1.964 113.713 115.700 -0.038 0.000 2.633 931 S HA 0.643 5.112 4.470 -0.002 0.000 0.271 931 S C -1.349 173.224 174.600 -0.045 0.000 1.112 931 S CA -0.997 57.186 58.200 -0.028 0.000 0.828 931 S CB 0.903 64.086 63.200 -0.028 0.000 1.086 931 S HN 0.347 nan 8.310 nan 0.000 0.461 932 S N 0.078 115.778 115.700 -0.001 0.000 2.564 932 S HA 0.836 5.305 4.470 -0.002 0.000 0.274 932 S C -1.407 173.192 174.600 -0.002 0.000 1.124 932 S CA -0.700 57.465 58.200 -0.058 0.000 0.869 932 S CB 1.815 64.946 63.200 -0.115 0.000 1.105 932 S HN 0.990 nan 8.310 nan 0.000 0.472 933 V N 2.453 122.245 119.914 -0.202 0.000 2.638 933 V HA 0.819 4.938 4.120 -0.002 0.000 0.306 933 V C -0.546 175.388 176.094 -0.267 0.000 1.052 933 V CA -0.582 61.569 62.300 -0.248 0.000 0.885 933 V CB 1.833 33.426 31.823 -0.384 0.000 0.999 933 V HN 1.003 nan 8.190 nan 0.000 0.424 934 S N 4.358 119.965 115.700 -0.154 0.000 2.549 934 S HA 0.996 5.465 4.470 -0.002 0.000 0.280 934 S C -1.037 173.572 174.600 0.016 0.000 1.109 934 S CA -0.664 57.382 58.200 -0.256 0.000 0.905 934 S CB 2.428 65.609 63.200 -0.031 0.000 1.081 934 S HN 1.261 nan 8.310 nan 0.000 0.477 935 F N -2.499 117.421 119.950 -0.049 0.000 2.799 935 F HA 0.803 5.329 4.527 -0.001 0.000 0.316 935 F C -2.311 173.647 175.800 0.264 0.000 1.155 935 F CA -1.651 56.523 58.000 0.290 0.000 0.916 935 F CB 0.145 39.429 39.000 0.473 0.000 1.294 935 F HN 0.640 nan 8.300 nan 0.000 0.447 936 W N 2.243 123.811 121.300 0.447 0.000 2.509 936 W HA 0.830 5.489 4.660 -0.001 0.000 0.351 936 W C -0.728 176.073 176.519 0.471 0.000 1.107 936 W CA -0.969 56.596 57.345 0.367 0.000 1.264 936 W CB 1.594 31.265 29.460 0.351 0.000 1.312 936 W HN 0.727 nan 8.180 nan 0.000 0.608 937 I N 1.538 122.340 120.570 0.386 0.000 2.913 937 I HA 0.441 4.610 4.170 -0.002 0.000 0.302 937 I C -1.405 174.589 176.117 -0.205 0.000 1.246 937 I CA -1.180 60.180 61.300 0.100 0.000 1.010 937 I CB 2.156 40.161 38.000 0.009 0.000 1.259 937 I HN 0.428 nan 8.210 nan 0.000 0.434 938 K N 7.457 127.697 120.400 -0.266 0.000 2.581 938 K HA 0.603 4.922 4.320 -0.002 0.000 0.249 938 K C -2.203 174.416 176.600 0.031 0.000 0.966 938 K CA -0.495 55.622 56.287 -0.283 0.000 0.811 938 K CB 1.529 33.374 32.500 -1.093 0.000 1.223 938 K HN 0.577 nan 8.250 nan 0.000 0.438 939 I N 3.587 124.235 120.570 0.129 0.000 2.436 939 I HA 0.196 4.365 4.170 -0.002 0.000 0.289 939 I C 0.290 176.561 176.117 0.257 0.000 1.010 939 I CA -0.845 60.551 61.300 0.161 0.000 1.098 939 I CB 2.082 40.138 38.000 0.094 0.000 1.266 939 I HN 0.747 nan 8.210 nan 0.000 0.434 940 S N 5.111 120.936 115.700 0.208 0.000 2.580 940 S HA 0.082 4.551 4.470 -0.002 0.000 0.266 940 S C 1.140 175.831 174.600 0.151 0.000 1.354 940 S CA -0.258 58.059 58.200 0.195 0.000 1.008 940 S CB 1.164 64.426 63.200 0.104 0.000 0.898 940 S HN 0.817 nan 8.310 nan 0.000 0.555 941 K N 0.602 121.049 120.400 0.079 0.000 2.026 941 K HA -0.185 4.134 4.320 -0.002 0.000 0.208 941 K C 1.165 177.713 176.600 -0.088 0.000 1.048 941 K CA 2.075 58.323 56.287 -0.066 0.000 0.929 941 K CB -0.519 31.669 32.500 -0.520 0.000 0.713 941 K HN 0.702 nan 8.250 nan 0.000 0.439 942 D N 0.518 120.857 120.400 -0.102 0.000 2.178 942 D HA -0.126 4.513 4.640 -0.002 0.000 0.202 942 D C 1.682 177.950 176.300 -0.053 0.000 0.974 942 D CA 0.534 54.481 54.000 -0.089 0.000 0.841 942 D CB -0.006 40.745 40.800 -0.082 0.000 0.953 942 D HN 0.129 nan 8.370 nan 0.000 0.478 943 L N 0.278 121.473 121.223 -0.046 0.000 2.109 943 L HA -0.061 4.278 4.340 -0.002 0.000 0.207 943 L C 1.998 178.889 176.870 0.034 0.000 1.086 943 L CA 1.638 56.438 54.840 -0.067 0.000 0.760 943 L CB -0.822 41.158 42.059 -0.132 0.000 0.910 943 L HN -0.058 nan 8.230 nan 0.000 0.437 944 T N -0.056 114.564 114.554 0.110 0.000 2.821 944 T HA -0.093 4.256 4.350 -0.002 0.000 0.267 944 T C 1.495 176.203 174.700 0.014 0.000 1.046 944 T CA 1.372 63.573 62.100 0.168 0.000 1.139 944 T CB -0.285 68.739 68.868 0.261 0.000 0.871 944 T HN 0.303 nan 8.240 nan 0.000 0.454 945 N N 1.353 120.030 118.700 -0.038 0.000 2.521 945 N HA 0.070 4.809 4.740 -0.002 0.000 0.188 945 N C 0.557 175.955 175.510 -0.187 0.000 1.146 945 N CA 0.087 53.062 53.050 -0.124 0.000 0.893 945 N CB -0.104 38.319 38.487 -0.106 0.000 0.975 945 N HN 0.242 nan 8.380 nan 0.000 0.451 946 S N 0.048 115.708 115.700 -0.067 0.000 2.548 946 S HA 0.060 4.529 4.470 -0.002 0.000 0.277 946 S C 0.972 175.527 174.600 -0.075 0.000 1.315 946 S CA -0.436 57.768 58.200 0.007 0.000 1.050 946 S CB 0.458 63.798 63.200 0.233 0.000 0.918 946 S HN 0.288 nan 8.310 nan 0.000 0.497 947 H N 3.229 122.350 119.070 0.085 0.000 2.551 947 H HA 0.141 4.696 4.556 -0.002 0.000 0.266 947 H C 0.347 175.692 175.328 0.028 0.000 0.977 947 H CA 0.143 56.221 56.048 0.051 0.000 1.163 947 H CB -0.015 29.761 29.762 0.023 0.000 1.381 947 H HN 0.501 nan 8.280 nan 0.000 0.581 948 N N 1.620 120.377 118.700 0.096 0.000 2.317 948 N HA -0.001 4.738 4.740 -0.002 0.000 0.245 948 N C 0.425 175.838 175.510 -0.162 0.000 1.294 948 N CA 0.016 52.996 53.050 -0.116 0.000 0.924 948 N CB 1.140 39.416 38.487 -0.351 0.000 1.186 948 N HN 0.361 nan 8.380 nan 0.000 0.495 949 E N -0.249 119.771 120.200 -0.299 0.000 2.191 949 E HA 0.349 4.698 4.350 -0.002 0.000 0.274 949 E C -1.456 174.911 176.600 -0.389 0.000 0.948 949 E CA -0.477 55.819 56.400 -0.174 0.000 0.802 949 E CB 0.635 30.287 29.700 -0.079 0.000 1.137 949 E HN 0.407 nan 8.360 nan 0.000 0.397 950 Y N 1.227 121.552 120.300 0.042 0.000 2.421 950 Y HA 0.253 4.802 4.550 -0.002 0.000 0.339 950 Y C -0.098 175.813 175.900 0.019 0.000 0.996 950 Y CA -0.985 57.131 58.100 0.026 0.000 1.046 950 Y CB 2.371 40.853 38.460 0.036 0.000 1.226 950 Y HN 0.351 nan 8.280 nan 0.000 0.445 951 T N 4.507 119.132 114.554 0.118 0.000 2.851 951 T HA 0.198 4.547 4.350 -0.002 0.000 0.298 951 T C 0.889 175.628 174.700 0.064 0.000 0.977 951 T CA 0.030 62.160 62.100 0.051 0.000 1.126 951 T CB 0.526 69.379 68.868 -0.025 0.000 0.916 951 T HN 0.488 nan 8.240 nan 0.000 0.529 952 I N 2.213 122.811 120.570 0.047 0.000 3.300 952 I HA 0.319 4.488 4.170 -0.002 0.000 0.279 952 I C 0.662 176.755 176.117 -0.040 0.000 1.172 952 I CA 0.701 62.026 61.300 0.042 0.000 1.431 952 I CB -0.008 38.044 38.000 0.087 0.000 1.240 952 I HN 0.511 nan 8.210 nan 0.000 0.453 953 I N 1.513 122.019 120.570 -0.106 0.000 2.466 953 I HA 0.309 4.478 4.170 -0.002 0.000 0.289 953 I C -0.622 175.301 176.117 -0.324 0.000 1.026 953 I CA -0.543 60.576 61.300 -0.302 0.000 1.078 953 I CB 2.040 39.874 38.000 -0.275 0.000 1.249 953 I HN -0.019 nan 8.210 nan 0.000 0.429 954 N N 3.274 121.704 118.700 -0.450 0.000 2.399 954 N HA 0.352 5.091 4.740 -0.002 0.000 0.280 954 N C -0.935 174.179 175.510 -0.659 0.000 1.008 954 N CA -0.118 52.653 53.050 -0.465 0.000 0.894 954 N CB 1.940 40.246 38.487 -0.301 0.000 1.273 954 N HN 0.476 nan 8.380 nan 0.000 0.486 955 S N 3.824 118.982 115.700 -0.903 0.000 2.665 955 S HA 0.473 4.942 4.470 -0.002 0.000 0.235 955 S C -0.727 173.460 174.600 -0.689 0.000 1.084 955 S CA -0.402 57.218 58.200 -0.966 0.000 1.151 955 S CB -0.501 61.617 63.200 -1.803 0.000 1.151 955 S HN 0.528 nan 8.310 nan 0.000 0.461 956 I N 2.907 123.211 120.570 -0.443 0.000 2.377 956 I HA 0.463 4.632 4.170 -0.002 0.000 0.293 956 I C -0.291 175.706 176.117 -0.199 0.000 0.987 956 I CA -0.416 60.718 61.300 -0.276 0.000 1.185 956 I CB 1.694 39.559 38.000 -0.224 0.000 1.341 956 I HN 0.419 nan 8.210 nan 0.000 0.455 957 E N 6.071 126.185 120.200 -0.143 0.000 2.314 957 E HA 0.575 4.924 4.350 -0.002 0.000 0.272 957 E C -0.778 175.780 176.600 -0.069 0.000 0.884 957 E CA -0.753 55.586 56.400 -0.101 0.000 0.753 957 E CB 1.781 31.428 29.700 -0.088 0.000 1.213 957 E HN 0.397 nan 8.360 nan 0.000 0.432 958 Q N 1.598 121.364 119.800 -0.056 0.000 1.437 958 Q HA -0.280 4.059 4.340 -0.002 0.000 0.341 958 Q C -0.295 175.677 176.000 -0.047 0.000 0.937 958 Q CA 1.874 57.653 55.803 -0.040 0.000 0.776 958 Q CB -1.460 27.262 28.738 -0.026 0.000 3.953 958 Q HN 0.880 nan 8.270 nan 0.000 0.583 959 N N 0.044 118.724 118.700 -0.034 0.000 2.291 959 N HA 0.277 5.016 4.740 -0.002 0.000 0.244 959 N C -0.898 174.596 175.510 -0.026 0.000 1.216 959 N CA 0.592 53.621 53.050 -0.035 0.000 0.879 959 N CB 0.931 39.407 38.487 -0.019 0.000 1.167 959 N HN 0.456 nan 8.380 nan 0.000 0.515 960 S N -1.035 114.648 115.700 -0.028 0.000 2.648 960 S HA 0.961 5.430 4.470 -0.002 0.000 0.305 960 S C 0.403 174.978 174.600 -0.042 0.000 1.094 960 S CA -0.039 58.155 58.200 -0.010 0.000 0.983 960 S CB 2.442 65.654 63.200 0.020 0.000 1.101 960 S HN 0.267 nan 8.310 nan 0.000 0.514 961 G N 0.552 109.346 108.800 -0.009 0.000 2.270 961 G HA2 0.167 4.126 3.960 -0.002 0.000 0.268 961 G HA3 0.167 4.126 3.960 -0.002 0.000 0.268 961 G C -1.312 173.595 174.900 0.011 0.000 1.312 961 G CA -0.334 44.737 45.100 -0.048 0.000 1.050 961 G HN 1.496 nan 8.290 nan 0.000 0.474 962 W N 0.500 121.713 121.300 -0.145 0.000 2.975 962 W HA 0.850 5.510 4.660 -0.001 0.000 0.342 962 W C -0.625 175.611 176.519 -0.471 0.000 1.168 962 W CA -0.741 56.401 57.345 -0.337 0.000 1.141 962 W CB 1.537 30.777 29.460 -0.368 0.000 1.445 962 W HN 1.116 nan 8.180 nan 0.000 0.560 963 K N 0.772 120.989 120.400 -0.306 0.000 2.568 963 K HA 0.716 5.035 4.320 -0.002 0.000 0.273 963 K C -2.452 173.944 176.600 -0.339 0.000 0.951 963 K CA -0.959 55.145 56.287 -0.305 0.000 0.854 963 K CB 2.419 34.758 32.500 -0.268 0.000 1.424 963 K HN 0.468 nan 8.250 nan 0.000 0.427 964 L N 1.475 122.628 121.223 -0.117 0.000 2.341 964 L HA 0.638 4.977 4.340 -0.002 0.000 0.278 964 L C -1.554 175.379 176.870 0.105 0.000 1.005 964 L CA 0.054 54.955 54.840 0.100 0.000 0.818 964 L CB 1.638 43.895 42.059 0.330 0.000 1.259 964 L HN 0.934 nan 8.230 nan 0.000 0.418 965 C N 4.593 123.987 119.300 0.157 0.000 2.614 965 C HA 0.651 5.110 4.460 -0.002 0.000 0.320 965 C C -0.052 175.081 174.990 0.238 0.000 1.200 965 C CA -1.002 58.109 59.018 0.156 0.000 1.700 965 C CB 1.520 29.320 27.740 0.100 0.000 2.275 965 C HN 0.746 nan 8.230 nan 0.000 0.492 966 I N 1.752 122.481 120.570 0.265 0.000 2.530 966 I HA 0.637 4.806 4.170 -0.002 0.000 0.297 966 I C -0.085 176.219 176.117 0.312 0.000 1.011 966 I CA -0.346 61.150 61.300 0.327 0.000 1.107 966 I CB 1.415 39.611 38.000 0.328 0.000 1.285 966 I HN 0.602 nan 8.210 nan 0.000 0.436 967 R N 4.729 125.391 120.500 0.269 0.000 2.542 967 R HA 0.212 4.551 4.340 -0.002 0.000 0.284 967 R C -0.606 175.781 176.300 0.145 0.000 1.167 967 R CA -0.533 55.680 56.100 0.188 0.000 1.000 967 R CB 0.714 31.090 30.300 0.126 0.000 1.229 967 R HN 0.701 nan 8.270 nan 0.000 0.416 968 N N 2.983 121.755 118.700 0.120 0.000 2.714 968 N HA -0.198 4.541 4.740 -0.002 0.000 0.253 968 N C 0.434 175.922 175.510 -0.035 0.000 1.024 968 N CA 2.060 55.127 53.050 0.029 0.000 0.726 968 N CB -0.970 37.558 38.487 0.068 0.000 0.908 968 N HN 1.113 nan 8.380 nan 0.000 0.542 969 G N -1.169 107.608 108.800 -0.039 0.000 2.148 969 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.254 969 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.254 969 G C -0.165 174.474 174.900 -0.435 0.000 0.981 969 G CA 0.362 45.263 45.100 -0.330 0.000 0.670 969 G HN 0.676 nan 8.290 nan 0.000 0.528 970 N N -0.081 118.631 118.700 0.020 0.000 2.272 970 N HA 0.665 5.404 4.740 -0.002 0.000 0.305 970 N C 0.167 175.952 175.510 0.458 0.000 1.103 970 N CA -0.379 52.773 53.050 0.169 0.000 0.791 970 N CB 2.022 40.575 38.487 0.111 0.000 1.356 970 N HN 0.478 nan 8.380 nan 0.000 0.486 971 I N -1.859 119.038 120.570 0.546 0.000 2.498 971 I HA 0.581 4.750 4.170 -0.002 0.000 0.301 971 I C -0.131 176.225 176.117 0.400 0.000 0.984 971 I CA -0.563 61.029 61.300 0.487 0.000 1.204 971 I CB 1.751 40.075 38.000 0.539 0.000 1.362 971 I HN 0.424 nan 8.210 nan 0.000 0.471 972 E N 5.417 125.836 120.200 0.364 0.000 2.278 972 E HA 0.205 4.554 4.350 -0.002 0.000 0.272 972 E C -2.184 174.637 176.600 0.369 0.000 0.890 972 E CA -0.729 55.867 56.400 0.326 0.000 0.770 972 E CB 1.931 31.771 29.700 0.233 0.000 1.212 972 E HN 0.758 nan 8.360 nan 0.000 0.415 973 W N 7.588 129.000 121.300 0.187 0.000 2.433 973 W HA 0.454 5.113 4.660 -0.001 0.000 0.315 973 W C -1.460 175.162 176.519 0.172 0.000 1.087 973 W CA -0.642 56.813 57.345 0.184 0.000 1.205 973 W CB 1.034 30.582 29.460 0.146 0.000 1.288 973 W HN 0.429 nan 8.180 nan 0.000 0.504 974 I N 7.272 127.759 120.570 -0.138 0.000 2.545 974 I HA 0.327 4.496 4.170 -0.002 0.000 0.292 974 I C -0.807 175.279 176.117 -0.050 0.000 1.040 974 I CA -1.092 60.203 61.300 -0.007 0.000 1.068 974 I CB 1.655 39.583 38.000 -0.120 0.000 1.251 974 I HN 0.250 nan 8.210 nan 0.000 0.424 975 L N 5.954 127.281 121.223 0.173 0.000 2.362 975 L HA 0.543 4.882 4.340 -0.002 0.000 0.275 975 L C -0.720 176.271 176.870 0.203 0.000 0.998 975 L CA -0.077 54.887 54.840 0.207 0.000 0.820 975 L CB 1.746 43.979 42.059 0.290 0.000 1.270 975 L HN 0.719 nan 8.230 nan 0.000 0.415 976 Q N 2.616 122.506 119.800 0.150 0.000 2.304 976 Q HA 0.420 4.759 4.340 -0.002 0.000 0.270 976 Q C -1.406 174.657 176.000 0.104 0.000 1.035 976 Q CA -0.786 55.104 55.803 0.145 0.000 0.781 976 Q CB 1.806 30.584 28.738 0.068 0.000 1.261 976 Q HN 0.793 nan 8.270 nan 0.000 0.444 977 D N 1.198 121.659 120.400 0.102 0.000 2.506 977 D HA 0.062 4.701 4.640 -0.002 0.000 0.272 977 D C 1.172 177.504 176.300 0.053 0.000 1.214 977 D CA -0.186 53.858 54.000 0.073 0.000 1.067 977 D CB 0.393 41.231 40.800 0.063 0.000 1.117 977 D HN 0.329 nan 8.370 nan 0.000 0.578 978 V N -2.152 117.787 119.914 0.042 0.000 3.026 978 V HA -0.083 4.036 4.120 -0.002 0.000 0.265 978 V C 0.838 176.948 176.094 0.027 0.000 1.121 978 V CA 1.162 63.479 62.300 0.029 0.000 1.142 978 V CB -1.006 30.832 31.823 0.025 0.000 0.730 978 V HN 0.436 nan 8.190 nan 0.000 0.503 979 N N 0.786 119.505 118.700 0.033 0.000 2.236 979 N HA 0.183 4.922 4.740 -0.002 0.000 0.196 979 N C 0.584 176.120 175.510 0.043 0.000 1.114 979 N CA 0.290 53.358 53.050 0.030 0.000 0.859 979 N CB 0.240 38.742 38.487 0.025 0.000 0.982 979 N HN 0.612 nan 8.380 nan 0.000 0.493 980 R N -0.267 120.269 120.500 0.059 0.000 3.936 980 R HA -0.165 4.174 4.340 -0.002 0.000 0.366 980 R C 0.080 176.468 176.300 0.147 0.000 1.158 980 R CA 0.560 56.718 56.100 0.095 0.000 0.969 980 R CB -2.043 28.302 30.300 0.076 0.000 1.504 980 R HN 0.235 nan 8.270 nan 0.000 0.538 981 K N 1.525 121.981 120.400 0.094 0.000 2.401 981 K HA 0.188 4.507 4.320 -0.002 0.000 0.278 981 K C -0.265 176.416 176.600 0.135 0.000 1.018 981 K CA -0.020 56.302 56.287 0.058 0.000 0.981 981 K CB 0.372 32.879 32.500 0.013 0.000 0.933 981 K HN 0.187 nan 8.250 nan 0.000 0.477 982 Y N 0.599 120.915 120.300 0.027 0.000 2.615 982 Y HA 0.584 5.133 4.550 -0.002 0.000 0.341 982 Y C -1.448 174.482 175.900 0.050 0.000 1.089 982 Y CA -1.370 56.754 58.100 0.040 0.000 1.049 982 Y CB 1.222 39.703 38.460 0.034 0.000 1.296 982 Y HN 0.211 nan 8.280 nan 0.000 0.470 983 K N 1.789 122.330 120.400 0.236 0.000 2.316 983 K HA 0.623 4.942 4.320 -0.002 0.000 0.251 983 K C -1.152 175.647 176.600 0.331 0.000 0.934 983 K CA -0.684 55.708 56.287 0.175 0.000 0.802 983 K CB 2.083 34.659 32.500 0.127 0.000 1.171 983 K HN 0.955 nan 8.250 nan 0.000 0.426 984 S N 1.664 117.535 115.700 0.286 0.000 2.542 984 S HA 0.714 5.183 4.470 -0.002 0.000 0.293 984 S C -0.534 174.214 174.600 0.247 0.000 1.089 984 S CA -0.954 57.430 58.200 0.308 0.000 0.961 984 S CB 1.090 64.489 63.200 0.332 0.000 1.062 984 S HN 0.408 nan 8.310 nan 0.000 0.483 985 L N 2.402 123.794 121.223 0.281 0.000 2.333 985 L HA 0.632 4.971 4.340 -0.002 0.000 0.280 985 L C -0.836 176.182 176.870 0.247 0.000 1.004 985 L CA -0.659 54.313 54.840 0.221 0.000 0.820 985 L CB 1.369 43.537 42.059 0.181 0.000 1.247 985 L HN 0.629 nan 8.230 nan 0.000 0.416 986 I N 2.944 123.640 120.570 0.210 0.000 2.509 986 I HA 0.455 4.624 4.170 -0.002 0.000 0.293 986 I C -1.212 175.074 176.117 0.282 0.000 1.020 986 I CA -0.566 60.874 61.300 0.233 0.000 1.088 986 I CB 2.404 40.511 38.000 0.177 0.000 1.267 986 I HN 0.376 nan 8.210 nan 0.000 0.430 987 F N 5.344 125.374 119.950 0.133 0.000 2.557 987 F HA 0.360 4.886 4.527 -0.001 0.000 0.316 987 F C -0.527 175.353 175.800 0.133 0.000 1.141 987 F CA -0.990 57.067 58.000 0.095 0.000 0.922 987 F CB 1.436 40.477 39.000 0.068 0.000 1.194 987 F HN 0.344 nan 8.300 nan 0.000 0.443 988 D N 5.391 125.445 120.400 -0.577 0.000 2.435 988 D HA 0.029 4.668 4.640 -0.002 0.000 0.230 988 D C 0.543 176.214 176.300 -1.048 0.000 1.215 988 D CA -0.013 53.631 54.000 -0.592 0.000 0.947 988 D CB 0.123 40.702 40.800 -0.368 0.000 1.048 988 D HN 0.606 nan 8.370 nan 0.000 0.512 989 Y N 1.723 121.579 120.300 -0.740 0.000 2.519 989 Y HA 0.085 4.634 4.550 -0.002 0.000 0.287 989 Y C 2.059 177.915 175.900 -0.072 0.000 1.128 989 Y CA 0.280 58.070 58.100 -0.517 0.000 1.282 989 Y CB -0.289 38.000 38.460 -0.284 0.000 1.027 989 Y HN 0.237 nan 8.280 nan 0.000 0.551 990 S N 0.632 115.899 115.700 -0.722 0.000 2.357 990 S HA -0.145 4.324 4.470 -0.002 0.000 0.221 990 S C 0.779 175.273 174.600 -0.175 0.000 1.031 990 S CA 1.134 59.081 58.200 -0.422 0.000 0.982 990 S CB -0.499 62.393 63.200 -0.512 0.000 0.853 990 S HN 0.611 nan 8.310 nan 0.000 0.458 991 E N 0.414 120.490 120.200 -0.208 0.000 2.320 991 E HA -0.142 4.207 4.350 -0.002 0.000 0.234 991 E C -0.217 176.334 176.600 -0.081 0.000 1.183 991 E CA 0.397 56.721 56.400 -0.128 0.000 0.713 991 E CB -2.134 27.506 29.700 -0.100 0.000 1.226 991 E HN 0.518 nan 8.360 nan 0.000 0.382 992 S N -1.272 114.374 115.700 -0.090 0.000 3.682 992 S HA -0.240 4.229 4.470 -0.002 0.000 0.354 992 S C 0.648 175.242 174.600 -0.010 0.000 1.034 992 S CA 0.721 58.891 58.200 -0.050 0.000 1.084 992 S CB -0.933 62.245 63.200 -0.037 0.000 0.903 992 S HN 0.579 nan 8.310 nan 0.000 0.470 993 L N -1.280 119.955 121.223 0.019 0.000 4.232 993 L HA -0.179 4.160 4.340 -0.002 0.000 0.415 993 L C 0.892 177.868 176.870 0.177 0.000 1.168 993 L CA 1.133 56.057 54.840 0.140 0.000 0.966 993 L CB -2.152 39.990 42.059 0.139 0.000 2.052 993 L HN 0.669 nan 8.230 nan 0.000 0.887 994 S N -0.522 115.221 115.700 0.073 0.000 2.546 994 S HA 0.029 4.498 4.470 -0.002 0.000 0.290 994 S C 1.528 176.230 174.600 0.170 0.000 1.290 994 S CA -0.202 58.018 58.200 0.033 0.000 1.069 994 S CB 0.387 63.573 63.200 -0.023 0.000 0.846 994 S HN 0.358 nan 8.310 nan 0.000 0.495 995 H N 3.132 122.254 119.070 0.086 0.000 2.566 995 H HA -0.013 4.542 4.556 -0.002 0.000 0.285 995 H C 2.072 177.400 175.328 -0.001 0.000 1.041 995 H CA 1.272 57.371 56.048 0.085 0.000 1.207 995 H CB -0.395 29.396 29.762 0.050 0.000 1.353 995 H HN 0.560 nan 8.280 nan 0.000 0.604 996 T N -0.921 113.668 114.554 0.057 0.000 3.057 996 T HA 0.194 4.543 4.350 -0.002 0.000 0.254 996 T C 1.370 175.957 174.700 -0.188 0.000 1.094 996 T CA 0.408 62.468 62.100 -0.066 0.000 1.088 996 T CB -0.123 68.704 68.868 -0.068 0.000 0.934 996 T HN 0.456 nan 8.240 nan 0.000 0.497 997 G N -0.448 108.268 108.800 -0.139 0.000 2.582 997 G HA2 0.364 4.323 3.960 -0.002 0.000 0.232 997 G HA3 0.364 4.323 3.960 -0.002 0.000 0.232 997 G C -0.365 174.335 174.900 -0.334 0.000 1.458 997 G CA -0.350 44.598 45.100 -0.253 0.000 1.062 997 G HN 0.421 nan 8.290 nan 0.000 0.566 998 Y N -0.401 120.031 120.300 0.220 0.000 2.696 998 Y HA 0.295 4.844 4.550 -0.002 0.000 0.260 998 Y C 1.212 177.453 175.900 0.568 0.000 1.165 998 Y CA -0.536 57.782 58.100 0.363 0.000 1.189 998 Y CB 0.003 38.601 38.460 0.231 0.000 1.180 998 Y HN 0.104 nan 8.280 nan 0.000 0.538 999 T N 2.202 117.130 114.554 0.623 0.000 2.792 999 T HA -0.070 4.279 4.350 -0.002 0.000 0.286 999 T C 0.780 175.920 174.700 0.733 0.000 0.970 999 T CA 0.619 63.135 62.100 0.694 0.000 1.187 999 T CB -0.270 68.973 68.868 0.624 0.000 0.915 999 T HN 0.544 nan 8.240 nan 0.000 0.529 1000 N N 2.037 121.097 118.700 0.600 0.000 2.741 1000 N HA -0.186 4.553 4.740 -0.002 0.000 0.251 1000 N C -0.700 175.084 175.510 0.457 0.000 1.112 1000 N CA 1.183 54.481 53.050 0.414 0.000 0.750 1000 N CB -0.803 37.858 38.487 0.291 0.000 1.119 1000 N HN 0.664 nan 8.380 nan 0.000 0.561 1001 K N -0.392 120.354 120.400 0.576 0.000 2.207 1001 K HA 0.262 4.581 4.320 -0.002 0.000 0.255 1001 K C -0.515 176.461 176.600 0.627 0.000 0.941 1001 K CA -0.686 55.979 56.287 0.631 0.000 0.825 1001 K CB 0.749 33.675 32.500 0.710 0.000 1.119 1001 K HN 0.096 nan 8.250 nan 0.000 0.430 1002 W N 3.984 125.625 121.300 0.569 0.000 2.322 1002 W HA 0.062 4.721 4.660 -0.002 0.000 0.328 1002 W C 0.126 177.124 176.519 0.798 0.000 1.395 1002 W CA 0.007 57.680 57.345 0.547 0.000 1.267 1002 W CB 0.004 29.724 29.460 0.433 0.000 1.259 1002 W HN 0.412 nan 8.180 nan 0.000 0.560 1003 F N 2.496 122.872 119.950 0.711 0.000 2.588 1003 F HA 0.636 5.161 4.527 -0.002 0.000 0.314 1003 F C -1.507 174.390 175.800 0.160 0.000 1.069 1003 F CA -2.598 55.637 58.000 0.391 0.000 0.931 1003 F CB 0.817 39.802 39.000 -0.026 0.000 1.260 1003 F HN 0.115 nan 8.300 nan 0.000 0.465 1004 F N 3.311 123.020 119.950 -0.402 0.000 2.405 1004 F HA 0.692 5.218 4.527 -0.002 0.000 0.355 1004 F C -1.029 174.345 175.800 -0.709 0.000 1.121 1004 F CA -1.331 56.041 58.000 -1.047 0.000 1.112 1004 F CB 1.023 39.047 39.000 -1.628 0.000 1.126 1004 F HN 0.412 nan 8.300 nan 0.000 0.481 1005 V N 5.058 124.232 119.914 -1.233 0.000 2.532 1005 V HA 0.574 4.693 4.120 -0.002 0.000 0.295 1005 V C -0.283 174.922 176.094 -1.482 0.000 1.041 1005 V CA -0.461 61.125 62.300 -1.189 0.000 0.926 1005 V CB 1.837 32.903 31.823 -1.262 0.000 0.992 1005 V HN 0.842 nan 8.190 nan 0.000 0.457 1006 T N 5.410 119.349 114.554 -1.025 0.000 2.991 1006 T HA 0.567 4.916 4.350 -0.002 0.000 0.303 1006 T C -0.851 173.524 174.700 -0.541 0.000 1.015 1006 T CA -0.334 61.268 62.100 -0.830 0.000 1.007 1006 T CB 1.249 69.628 68.868 -0.815 0.000 1.034 1006 T HN 0.298 nan 8.240 nan 0.000 0.446 1007 I N 3.879 124.083 120.570 -0.611 0.000 2.378 1007 I HA 0.486 4.655 4.170 -0.002 0.000 0.291 1007 I C 0.736 176.604 176.117 -0.415 0.000 0.992 1007 I CA -0.705 60.225 61.300 -0.616 0.000 1.154 1007 I CB 1.306 38.579 38.000 -1.212 0.000 1.315 1007 I HN 0.775 nan 8.210 nan 0.000 0.448 1008 T N 3.120 117.535 114.554 -0.231 0.000 2.863 1008 T HA 0.572 4.921 4.350 -0.002 0.000 0.285 1008 T C -0.438 174.209 174.700 -0.089 0.000 1.009 1008 T CA -0.911 61.097 62.100 -0.154 0.000 0.989 1008 T CB 2.151 70.958 68.868 -0.101 0.000 1.004 1008 T HN 0.497 nan 8.240 nan 0.000 0.455 1009 N N 3.092 121.754 118.700 -0.063 0.000 2.399 1009 N HA 0.288 5.027 4.740 -0.002 0.000 0.284 1009 N C -1.453 174.059 175.510 0.003 0.000 1.025 1009 N CA -0.651 52.393 53.050 -0.010 0.000 0.885 1009 N CB 2.008 40.499 38.487 0.007 0.000 1.339 1009 N HN 0.671 nan 8.380 nan 0.000 0.487 1010 N N 3.046 121.763 118.700 0.028 0.000 2.476 1010 N HA 0.212 4.951 4.740 -0.002 0.000 0.257 1010 N C 1.196 176.718 175.510 0.020 0.000 0.970 1010 N CA -0.446 52.619 53.050 0.026 0.000 0.938 1010 N CB 1.211 39.727 38.487 0.049 0.000 1.144 1010 N HN 0.584 nan 8.380 nan 0.000 0.500 1011 I N 0.594 121.173 120.570 0.015 0.000 2.916 1011 I HA 0.015 4.184 4.170 -0.002 0.000 0.267 1011 I C 0.658 176.776 176.117 0.003 0.000 1.263 1011 I CA 0.942 62.252 61.300 0.017 0.000 1.471 1011 I CB -0.013 38.004 38.000 0.028 0.000 1.089 1011 I HN 0.344 nan 8.210 nan 0.000 0.468 1012 M N 1.517 121.117 119.600 0.001 0.000 2.869 1012 M HA 0.456 4.935 4.480 -0.002 0.000 0.338 1012 M C 0.516 176.803 176.300 -0.023 0.000 1.227 1012 M CA -0.127 55.167 55.300 -0.010 0.000 0.946 1012 M CB 0.944 33.547 32.600 0.006 0.000 1.299 1012 M HN 0.462 nan 8.290 nan 0.000 0.518 1013 G N -0.216 108.555 108.800 -0.048 0.000 3.078 1013 G HA2 0.342 4.301 3.960 -0.002 0.000 0.131 1013 G HA3 0.342 4.301 3.960 -0.002 0.000 0.131 1013 G C -1.762 173.009 174.900 -0.215 0.000 1.219 1013 G CA -0.252 44.807 45.100 -0.067 0.000 1.319 1013 G HN 0.159 nan 8.290 nan 0.000 0.653 1014 Y N -0.039 120.260 120.300 -0.001 0.000 2.549 1014 Y HA 0.757 5.306 4.550 -0.001 0.000 0.339 1014 Y C 0.406 176.303 175.900 -0.005 0.000 1.053 1014 Y CA -0.660 57.438 58.100 -0.004 0.000 1.105 1014 Y CB 2.231 40.679 38.460 -0.019 0.000 1.258 1014 Y HN 0.428 nan 8.280 nan 0.000 0.478 1015 M N 2.848 122.543 119.600 0.158 0.000 2.268 1015 M HA 0.450 4.929 4.480 -0.002 0.000 0.344 1015 M C -1.595 174.734 176.300 0.049 0.000 1.106 1015 M CA -0.303 55.048 55.300 0.084 0.000 1.010 1015 M CB 0.604 33.267 32.600 0.105 0.000 1.649 1015 M HN 0.612 nan 8.290 nan 0.000 0.443 1016 K N 4.193 124.575 120.400 -0.030 0.000 2.316 1016 K HA 0.571 4.890 4.320 -0.002 0.000 0.251 1016 K C -1.677 174.805 176.600 -0.197 0.000 0.934 1016 K CA -0.938 55.274 56.287 -0.125 0.000 0.802 1016 K CB 2.579 35.004 32.500 -0.125 0.000 1.171 1016 K HN 0.566 nan 8.250 nan 0.000 0.426 1017 L N 3.162 124.207 121.223 -0.296 0.000 2.305 1017 L HA 0.436 4.775 4.340 -0.002 0.000 0.284 1017 L C -1.715 174.888 176.870 -0.446 0.000 1.013 1017 L CA -0.278 54.386 54.840 -0.293 0.000 0.819 1017 L CB 0.434 42.383 42.059 -0.184 0.000 1.227 1017 L HN 0.450 nan 8.230 nan 0.000 0.417 1018 Y N 5.331 125.379 120.300 -0.419 0.000 2.446 1018 Y HA 0.663 5.211 4.550 -0.003 0.000 0.338 1018 Y C -0.114 175.436 175.900 -0.584 0.000 1.055 1018 Y CA -0.966 56.859 58.100 -0.458 0.000 1.101 1018 Y CB 1.760 39.954 38.460 -0.443 0.000 1.221 1018 Y HN 0.303 nan 8.280 nan 0.000 0.460 1019 I N 3.162 123.452 120.570 -0.467 0.000 2.439 1019 I HA 0.188 4.357 4.170 -0.002 0.000 0.285 1019 I C -0.405 175.405 176.117 -0.512 0.000 1.021 1019 I CA -0.968 59.975 61.300 -0.595 0.000 1.091 1019 I CB 1.331 38.733 38.000 -0.996 0.000 1.242 1019 I HN 0.741 nan 8.210 nan 0.000 0.439 1020 N N 4.998 123.368 118.700 -0.549 0.000 2.727 1020 N HA -0.208 4.531 4.740 -0.002 0.000 0.249 1020 N C 1.115 176.069 175.510 -0.926 0.000 1.048 1020 N CA 1.342 53.860 53.050 -0.887 0.000 0.714 1020 N CB -0.994 37.164 38.487 -0.549 0.000 0.959 1020 N HN 1.141 nan 8.380 nan 0.000 0.544 1021 G N -1.210 107.256 108.800 -0.557 0.000 2.179 1021 G HA2 -0.321 3.638 3.960 -0.002 0.000 0.260 1021 G HA3 -0.321 3.638 3.960 -0.002 0.000 0.260 1021 G C -0.262 174.571 174.900 -0.112 0.000 0.977 1021 G CA 0.580 45.494 45.100 -0.309 0.000 0.641 1021 G HN 0.559 nan 8.290 nan 0.000 0.533 1022 E N -0.045 120.068 120.200 -0.145 0.000 2.145 1022 E HA 0.496 4.845 4.350 -0.002 0.000 0.270 1022 E C -0.082 176.406 176.600 -0.186 0.000 0.906 1022 E CA -1.080 55.256 56.400 -0.107 0.000 0.761 1022 E CB 1.995 31.605 29.700 -0.150 0.000 1.116 1022 E HN 0.196 nan 8.360 nan 0.000 0.408 1023 L N 3.964 125.029 121.223 -0.263 0.000 2.559 1023 L HA -0.049 4.290 4.340 -0.002 0.000 0.274 1023 L C 0.597 177.217 176.870 -0.416 0.000 1.205 1023 L CA 0.818 55.258 54.840 -0.667 0.000 0.907 1023 L CB 0.289 41.968 42.059 -0.633 0.000 1.153 1023 L HN 0.449 nan 8.230 nan 0.000 0.490 1024 K N 3.138 123.282 120.400 -0.427 0.000 2.367 1024 K HA 0.212 4.531 4.320 -0.002 0.000 0.198 1024 K C -0.016 176.488 176.600 -0.160 0.000 1.132 1024 K CA 0.421 56.561 56.287 -0.245 0.000 0.941 1024 K CB 0.373 32.713 32.500 -0.265 0.000 1.052 1024 K HN 0.767 nan 8.250 nan 0.000 0.507 1025 Q N 0.020 119.701 119.800 -0.199 0.000 2.391 1025 Q HA 0.344 4.683 4.340 -0.002 0.000 0.279 1025 Q C -1.600 174.318 176.000 -0.136 0.000 1.028 1025 Q CA -0.339 55.397 55.803 -0.112 0.000 0.836 1025 Q CB 2.245 30.972 28.738 -0.017 0.000 1.414 1025 Q HN -0.041 nan 8.270 nan 0.000 0.397 1026 S N 2.102 117.757 115.700 -0.075 0.000 2.548 1026 S HA 0.615 5.084 4.470 -0.002 0.000 0.286 1026 S C -1.446 173.224 174.600 0.117 0.000 1.098 1026 S CA -0.808 57.382 58.200 -0.018 0.000 0.930 1026 S CB 1.952 65.074 63.200 -0.130 0.000 1.070 1026 S HN 0.509 nan 8.310 nan 0.000 0.480 1027 Q N 1.417 121.347 119.800 0.216 0.000 2.289 1027 Q HA 0.345 4.684 4.340 -0.002 0.000 0.270 1027 Q C -1.096 174.998 176.000 0.156 0.000 1.038 1027 Q CA -0.567 55.353 55.803 0.195 0.000 0.812 1027 Q CB 2.700 31.512 28.738 0.124 0.000 1.300 1027 Q HN 0.657 nan 8.270 nan 0.000 0.427 1028 K N 2.704 123.080 120.400 -0.040 0.000 2.368 1028 K HA 0.177 4.496 4.320 -0.002 0.000 0.282 1028 K C 0.963 177.457 176.600 -0.175 0.000 1.035 1028 K CA 0.229 56.262 56.287 -0.422 0.000 0.973 1028 K CB 0.312 32.513 32.500 -0.497 0.000 0.957 1028 K HN 0.685 nan 8.250 nan 0.000 0.474 1029 I N 0.467 120.939 120.570 -0.164 0.000 4.327 1029 I HA 0.126 4.295 4.170 -0.002 0.000 0.331 1029 I C 1.450 177.531 176.117 -0.061 0.000 1.348 1029 I CA -0.381 60.888 61.300 -0.052 0.000 1.152 1029 I CB 0.285 38.298 38.000 0.021 0.000 1.151 1029 I HN 0.646 nan 8.210 nan 0.000 0.410 1030 E N 3.159 123.286 120.200 -0.121 0.000 2.219 1030 E HA -0.272 4.077 4.350 -0.002 0.000 0.198 1030 E C 0.989 177.554 176.600 -0.058 0.000 0.998 1030 E CA 2.006 58.353 56.400 -0.087 0.000 0.818 1030 E CB -0.059 29.566 29.700 -0.126 0.000 0.741 1030 E HN 0.785 nan 8.360 nan 0.000 0.477 1031 D N -0.301 120.058 120.400 -0.067 0.000 2.340 1031 D HA -0.025 4.614 4.640 -0.002 0.000 0.220 1031 D C 0.981 177.268 176.300 -0.022 0.000 1.039 1031 D CA -0.123 53.851 54.000 -0.043 0.000 0.866 1031 D CB -0.266 40.502 40.800 -0.053 0.000 0.913 1031 D HN 0.166 nan 8.370 nan 0.000 0.523 1032 L N 1.123 122.340 121.223 -0.010 0.000 2.452 1032 L HA 0.105 4.444 4.340 -0.002 0.000 0.267 1032 L C 1.003 177.883 176.870 0.018 0.000 1.188 1032 L CA -0.318 54.530 54.840 0.012 0.000 0.821 1032 L CB 0.515 42.596 42.059 0.037 0.000 1.102 1032 L HN -0.175 nan 8.230 nan 0.000 0.470 1033 D N 0.555 120.969 120.400 0.024 0.000 2.348 1033 D HA 0.005 4.644 4.640 -0.002 0.000 0.272 1033 D C 0.012 176.335 176.300 0.038 0.000 1.237 1033 D CA -0.353 53.663 54.000 0.026 0.000 1.042 1033 D CB 0.302 41.115 40.800 0.023 0.000 1.117 1033 D HN 0.478 nan 8.370 nan 0.000 0.548 1034 E N 0.232 120.456 120.200 0.039 0.000 2.480 1034 E HA 0.078 4.427 4.350 -0.002 0.000 0.258 1034 E C -1.074 175.561 176.600 0.059 0.000 0.984 1034 E CA -0.086 56.344 56.400 0.050 0.000 0.930 1034 E CB 0.447 30.174 29.700 0.044 0.000 0.936 1034 E HN -0.045 nan 8.360 nan 0.000 0.466 1035 V N 6.469 126.428 119.914 0.075 0.000 2.318 1035 V HA 0.159 4.278 4.120 -0.002 0.000 0.271 1035 V C 0.250 176.399 176.094 0.092 0.000 1.030 1035 V CA -0.521 61.832 62.300 0.088 0.000 0.844 1035 V CB 1.068 32.960 31.823 0.116 0.000 1.015 1035 V HN 0.669 nan 8.190 nan 0.000 0.460 1036 K N 3.724 124.166 120.400 0.069 0.000 2.326 1036 K HA 0.379 4.698 4.320 -0.002 0.000 0.275 1036 K C -0.418 176.225 176.600 0.072 0.000 1.018 1036 K CA -0.283 56.043 56.287 0.064 0.000 0.962 1036 K CB 1.016 33.537 32.500 0.034 0.000 0.953 1036 K HN 0.517 nan 8.250 nan 0.000 0.475 1037 L N 3.443 124.722 121.223 0.093 0.000 2.257 1037 L HA 0.161 4.500 4.340 -0.002 0.000 0.290 1037 L C -0.477 176.424 176.870 0.052 0.000 1.044 1037 L CA -0.546 54.359 54.840 0.109 0.000 0.810 1037 L CB 0.871 43.034 42.059 0.173 0.000 1.193 1037 L HN 0.561 nan 8.230 nan 0.000 0.425 1038 D N 4.147 124.537 120.400 -0.016 0.000 2.383 1038 D HA 0.022 4.661 4.640 -0.002 0.000 0.252 1038 D C 0.688 176.974 176.300 -0.023 0.000 1.166 1038 D CA 0.195 54.153 54.000 -0.070 0.000 0.879 1038 D CB 1.228 41.908 40.800 -0.201 0.000 1.164 1038 D HN 0.487 nan 8.370 nan 0.000 0.462 1039 K N 1.552 121.948 120.400 -0.007 0.000 2.486 1039 K HA 0.024 4.343 4.320 -0.002 0.000 0.194 1039 K C 0.255 176.856 176.600 0.001 0.000 1.033 1039 K CA 0.561 56.861 56.287 0.021 0.000 1.004 1039 K CB 0.276 32.791 32.500 0.025 0.000 0.798 1039 K HN 0.354 nan 8.250 nan 0.000 0.495 1040 T N 1.366 115.888 114.554 -0.052 0.000 2.797 1040 T HA 0.490 4.839 4.350 -0.002 0.000 0.279 1040 T C -0.149 174.458 174.700 -0.155 0.000 0.991 1040 T CA -0.506 61.549 62.100 -0.075 0.000 0.979 1040 T CB 1.614 70.431 68.868 -0.084 0.000 0.943 1040 T HN -0.059 nan 8.240 nan 0.000 0.444 1041 I N 2.843 123.337 120.570 -0.127 0.000 2.418 1041 I HA 0.442 4.611 4.170 -0.002 0.000 0.287 1041 I C -0.692 175.288 176.117 -0.229 0.000 1.008 1041 I CA -1.039 60.110 61.300 -0.252 0.000 1.104 1041 I CB 1.908 39.828 38.000 -0.134 0.000 1.264 1041 I HN 0.260 nan 8.210 nan 0.000 0.438 1042 V N 6.808 126.523 119.914 -0.331 0.000 2.357 1042 V HA 0.382 4.501 4.120 -0.002 0.000 0.284 1042 V C -0.459 175.465 176.094 -0.283 0.000 1.018 1042 V CA -0.507 61.670 62.300 -0.205 0.000 0.841 1042 V CB 1.066 32.794 31.823 -0.158 0.000 0.991 1042 V HN 0.356 nan 8.190 nan 0.000 0.437 1043 F N 3.048 122.906 119.950 -0.153 0.000 2.411 1043 F HA 0.819 5.345 4.527 -0.002 0.000 0.350 1043 F C 0.895 176.655 175.800 -0.067 0.000 1.114 1043 F CA -0.010 57.927 58.000 -0.105 0.000 1.135 1043 F CB 1.722 40.657 39.000 -0.109 0.000 1.120 1043 F HN 0.708 nan 8.300 nan 0.000 0.495 1044 G N 3.129 111.995 108.800 0.109 0.000 2.329 1044 G HA2 0.228 4.187 3.960 -0.002 0.000 0.308 1044 G HA3 0.228 4.187 3.960 -0.002 0.000 0.308 1044 G C -1.774 173.144 174.900 0.029 0.000 1.587 1044 G CA -1.167 43.969 45.100 0.060 0.000 0.978 1044 G HN 0.524 nan 8.290 nan 0.000 0.685 1045 I N 1.591 122.176 120.570 0.025 0.000 2.315 1045 I HA 0.229 4.398 4.170 -0.002 0.000 0.291 1045 I C 0.240 176.384 176.117 0.046 0.000 1.006 1045 I CA -0.630 60.698 61.300 0.047 0.000 1.265 1045 I CB 1.669 39.684 38.000 0.026 0.000 1.387 1045 I HN 0.492 nan 8.210 nan 0.000 0.475 1046 D N 3.945 124.376 120.400 0.052 0.000 2.249 1046 D HA -0.018 4.621 4.640 -0.002 0.000 0.205 1046 D C 0.614 176.944 176.300 0.050 0.000 0.962 1046 D CA 0.848 54.866 54.000 0.030 0.000 0.860 1046 D CB 0.333 41.135 40.800 0.004 0.000 0.955 1046 D HN 0.508 nan 8.370 nan 0.000 0.505 1047 E N 0.431 120.694 120.200 0.105 0.000 2.409 1047 E HA 0.035 4.384 4.350 -0.002 0.000 0.257 1047 E C 0.214 176.886 176.600 0.120 0.000 1.150 1047 E CA -0.085 56.387 56.400 0.119 0.000 0.942 1047 E CB 0.283 30.094 29.700 0.185 0.000 0.979 1047 E HN -0.091 nan 8.360 nan 0.000 0.447 1048 N N 1.816 120.575 118.700 0.098 0.000 2.807 1048 N HA 0.099 4.838 4.740 -0.002 0.000 0.259 1048 N C -0.843 174.723 175.510 0.094 0.000 1.149 1048 N CA -0.187 52.906 53.050 0.071 0.000 1.042 1048 N CB -0.461 38.052 38.487 0.043 0.000 1.367 1048 N HN 0.403 nan 8.380 nan 0.000 0.516 1049 I N -1.120 119.495 120.570 0.076 0.000 2.713 1049 I HA 0.470 4.639 4.170 -0.002 0.000 0.300 1049 I C 0.303 176.424 176.117 0.006 0.000 1.009 1049 I CA -1.103 60.222 61.300 0.042 0.000 1.305 1049 I CB 0.834 38.804 38.000 -0.050 0.000 1.430 1049 I HN 0.269 nan 8.210 nan 0.000 0.546 1050 D N 2.226 122.623 120.400 -0.005 0.000 2.466 1050 D HA 0.073 4.712 4.640 -0.002 0.000 0.262 1050 D C 0.699 176.979 176.300 -0.033 0.000 1.177 1050 D CA -0.472 53.522 54.000 -0.011 0.000 1.035 1050 D CB 0.905 41.704 40.800 -0.002 0.000 1.105 1050 D HN 0.809 nan 8.370 nan 0.000 0.551 1051 E N -0.821 119.363 120.200 -0.027 0.000 2.118 1051 E HA -0.217 4.132 4.350 -0.002 0.000 0.195 1051 E C 0.754 177.328 176.600 -0.044 0.000 0.992 1051 E CA 1.091 57.472 56.400 -0.032 0.000 0.804 1051 E CB 0.034 29.724 29.700 -0.017 0.000 0.741 1051 E HN 0.348 nan 8.360 nan 0.000 0.458 1052 N N 0.566 119.241 118.700 -0.041 0.000 2.336 1052 N HA 0.001 4.739 4.740 -0.002 0.000 0.189 1052 N C -0.503 174.966 175.510 -0.068 0.000 1.113 1052 N CA 0.289 53.313 53.050 -0.043 0.000 0.858 1052 N CB 0.578 39.044 38.487 -0.035 0.000 0.970 1052 N HN 0.261 nan 8.380 nan 0.000 0.471 1053 Q N 1.295 121.040 119.800 -0.092 0.000 2.377 1053 Q HA 0.421 4.760 4.340 -0.002 0.000 0.249 1053 Q C 0.129 176.018 176.000 -0.184 0.000 1.005 1053 Q CA 0.006 55.728 55.803 -0.135 0.000 0.912 1053 Q CB 0.971 29.616 28.738 -0.156 0.000 1.223 1053 Q HN 0.260 nan 8.270 nan 0.000 0.459 1054 M N 0.865 120.339 119.600 -0.211 0.000 2.682 1054 M HA 0.721 5.199 4.480 -0.002 0.000 0.272 1054 M C -2.010 174.073 176.300 -0.361 0.000 1.232 1054 M CA -1.313 53.781 55.300 -0.344 0.000 0.849 1054 M CB 1.810 34.115 32.600 -0.491 0.000 1.695 1054 M HN 0.410 nan 8.290 nan 0.000 0.481 1055 L N -1.644 119.297 121.223 -0.469 0.000 2.479 1055 L HA 0.869 5.208 4.340 -0.002 0.000 0.255 1055 L C -2.108 174.531 176.870 -0.386 0.000 1.026 1055 L CA -0.396 54.282 54.840 -0.271 0.000 0.842 1055 L CB 1.931 43.937 42.059 -0.088 0.000 1.444 1055 L HN 0.874 nan 8.230 nan 0.000 0.409 1056 W N 1.435 122.600 121.300 -0.226 0.000 2.864 1056 W HA 0.796 5.455 4.660 -0.002 0.000 0.343 1056 W C -1.015 175.375 176.519 -0.216 0.000 1.109 1056 W CA -0.706 56.505 57.345 -0.223 0.000 1.192 1056 W CB 2.336 31.630 29.460 -0.277 0.000 1.426 1056 W HN 0.428 nan 8.180 nan 0.000 0.529 1057 I N 2.020 122.546 120.570 -0.074 0.000 2.730 1057 I HA 0.469 4.638 4.170 -0.002 0.000 0.298 1057 I C -0.217 175.905 176.117 0.007 0.000 1.089 1057 I CA -1.026 60.241 61.300 -0.055 0.000 1.041 1057 I CB 2.693 40.417 38.000 -0.459 0.000 1.235 1057 I HN 0.372 nan 8.210 nan 0.000 0.423 1058 R N 2.597 123.327 120.500 0.383 0.000 2.799 1058 R HA 0.520 4.859 4.340 -0.002 0.000 0.270 1058 R C -1.424 175.105 176.300 0.382 0.000 1.010 1058 R CA -0.648 55.581 56.100 0.215 0.000 0.916 1058 R CB 1.457 31.716 30.300 -0.069 0.000 1.228 1058 R HN 0.503 nan 8.270 nan 0.000 0.469 1059 D N 0.391 120.980 120.400 0.316 0.000 2.705 1059 D HA -0.223 4.416 4.640 -0.002 0.000 0.240 1059 D C -1.109 175.485 176.300 0.491 0.000 1.137 1059 D CA 1.053 55.267 54.000 0.356 0.000 0.677 1059 D CB -1.061 39.928 40.800 0.314 0.000 1.049 1059 D HN 0.432 nan 8.370 nan 0.000 0.427 1060 F N 1.323 121.509 119.950 0.394 0.000 2.467 1060 F HA 0.310 4.837 4.527 -0.001 0.000 0.362 1060 F C 0.444 176.422 175.800 0.296 0.000 1.090 1060 F CA -0.107 58.157 58.000 0.441 0.000 1.202 1060 F CB 0.463 39.737 39.000 0.457 0.000 1.113 1060 F HN -0.133 nan 8.300 nan 0.000 0.541 1061 N N 6.770 125.247 118.700 -0.372 0.000 2.242 1061 N HA 0.504 5.243 4.740 -0.002 0.000 0.292 1061 N C -1.367 173.789 175.510 -0.590 0.000 1.125 1061 N CA -0.480 52.337 53.050 -0.387 0.000 0.783 1061 N CB 2.524 40.772 38.487 -0.398 0.000 1.558 1061 N HN 0.483 nan 8.380 nan 0.000 0.472 1062 I N 1.419 121.700 120.570 -0.481 0.000 2.509 1062 I HA 0.479 4.648 4.170 -0.002 0.000 0.293 1062 I C -0.987 174.850 176.117 -0.466 0.000 1.020 1062 I CA -0.668 60.438 61.300 -0.323 0.000 1.088 1062 I CB 1.287 39.251 38.000 -0.061 0.000 1.267 1062 I HN 0.273 nan 8.210 nan 0.000 0.430 1063 F N 1.925 121.821 119.950 -0.089 0.000 2.522 1063 F HA 0.269 4.796 4.527 -0.000 0.000 0.324 1063 F C 1.099 176.849 175.800 -0.084 0.000 1.077 1063 F CA -0.787 57.170 58.000 -0.071 0.000 0.944 1063 F CB 1.915 40.867 39.000 -0.079 0.000 1.175 1063 F HN 0.418 nan 8.300 nan 0.000 0.468 1064 S N 0.257 116.011 115.700 0.090 0.000 2.763 1064 S HA 0.230 4.699 4.470 -0.002 0.000 0.237 1064 S C -0.211 174.395 174.600 0.010 0.000 0.966 1064 S CA -0.440 57.760 58.200 -0.001 0.000 1.017 1064 S CB -1.029 62.145 63.200 -0.042 0.000 0.780 1064 S HN 0.730 nan 8.310 nan 0.000 0.476 1065 K N -0.112 120.313 120.400 0.041 0.000 2.499 1065 K HA 0.437 4.756 4.320 -0.002 0.000 0.277 1065 K C -1.408 175.167 176.600 -0.042 0.000 1.025 1065 K CA -1.014 55.268 56.287 -0.007 0.000 0.900 1065 K CB 0.935 33.428 32.500 -0.011 0.000 1.494 1065 K HN 0.034 nan 8.250 nan 0.000 0.442 1066 E N 2.335 122.498 120.200 -0.062 0.000 2.105 1066 E HA 0.163 4.512 4.350 -0.002 0.000 0.285 1066 E C -0.729 175.785 176.600 -0.142 0.000 1.055 1066 E CA -0.564 55.782 56.400 -0.090 0.000 0.843 1066 E CB 0.500 30.170 29.700 -0.050 0.000 1.067 1066 E HN 0.418 nan 8.360 nan 0.000 0.398 1067 L N 3.673 124.752 121.223 -0.239 0.000 2.426 1067 L HA 0.105 4.444 4.340 -0.002 0.000 0.271 1067 L C 0.839 177.544 176.870 -0.276 0.000 1.169 1067 L CA -0.369 54.282 54.840 -0.315 0.000 0.836 1067 L CB 0.853 42.609 42.059 -0.506 0.000 1.112 1067 L HN 0.576 nan 8.230 nan 0.000 0.465 1068 S N 0.999 116.562 115.700 -0.228 0.000 2.617 1068 S HA 0.072 4.541 4.470 -0.002 0.000 0.269 1068 S C 0.929 175.376 174.600 -0.255 0.000 1.292 1068 S CA -0.725 57.368 58.200 -0.177 0.000 1.010 1068 S CB 1.158 64.287 63.200 -0.118 0.000 0.944 1068 S HN 0.670 nan 8.310 nan 0.000 0.536 1069 N N 1.289 119.876 118.700 -0.189 0.000 2.137 1069 N HA -0.174 4.565 4.740 -0.002 0.000 0.190 1069 N C 1.359 176.766 175.510 -0.172 0.000 1.017 1069 N CA 1.851 54.778 53.050 -0.206 0.000 0.859 1069 N CB -0.574 37.907 38.487 -0.009 0.000 1.002 1069 N HN 0.768 nan 8.380 nan 0.000 0.428 1070 E N 0.428 120.556 120.200 -0.120 0.000 2.051 1070 E HA -0.103 4.246 4.350 -0.002 0.000 0.192 1070 E C 1.554 178.085 176.600 -0.115 0.000 0.991 1070 E CA 1.130 57.475 56.400 -0.092 0.000 0.799 1070 E CB -0.253 29.407 29.700 -0.067 0.000 0.748 1070 E HN 0.357 nan 8.360 nan 0.000 0.449 1071 D N 0.231 120.539 120.400 -0.154 0.000 2.123 1071 D HA -0.153 4.486 4.640 -0.002 0.000 0.196 1071 D C 1.974 178.154 176.300 -0.200 0.000 0.992 1071 D CA 0.904 54.797 54.000 -0.178 0.000 0.833 1071 D CB -0.213 40.443 40.800 -0.241 0.000 0.954 1071 D HN 0.199 nan 8.370 nan 0.000 0.455 1072 I N 1.056 121.466 120.570 -0.267 0.000 2.226 1072 I HA -0.239 3.930 4.170 -0.002 0.000 0.245 1072 I C 2.086 178.167 176.117 -0.059 0.000 1.100 1072 I CA 0.774 61.925 61.300 -0.248 0.000 1.374 1072 I CB -0.230 37.453 38.000 -0.530 0.000 1.057 1072 I HN -0.022 nan 8.210 nan 0.000 0.413 1073 N N 0.895 119.555 118.700 -0.067 0.000 2.223 1073 N HA -0.111 4.628 4.740 -0.002 0.000 0.185 1073 N C 1.920 177.456 175.510 0.043 0.000 1.016 1073 N CA 1.340 54.416 53.050 0.044 0.000 0.863 1073 N CB -0.076 38.427 38.487 0.026 0.000 0.983 1073 N HN 0.392 nan 8.380 nan 0.000 0.429 1074 I N 0.370 120.929 120.570 -0.020 0.000 2.353 1074 I HA -0.174 3.995 4.170 -0.002 0.000 0.248 1074 I C 2.098 178.194 176.117 -0.034 0.000 1.119 1074 I CA 0.560 61.843 61.300 -0.029 0.000 1.417 1074 I CB -0.090 37.885 38.000 -0.042 0.000 1.078 1074 I HN -0.123 nan 8.210 nan 0.000 0.421 1075 V N 0.310 120.204 119.914 -0.033 0.000 2.343 1075 V HA -0.312 3.807 4.120 -0.002 0.000 0.247 1075 V C 2.311 178.303 176.094 -0.169 0.000 1.051 1075 V CA 1.901 64.183 62.300 -0.030 0.000 1.036 1075 V CB -0.818 31.041 31.823 0.060 0.000 0.654 1075 V HN 0.423 nan 8.190 nan 0.000 0.451 1076 Y N 1.456 121.517 120.300 -0.398 0.000 2.145 1076 Y HA -0.178 4.370 4.550 -0.002 0.000 0.286 1076 Y C 2.567 178.356 175.900 -0.186 0.000 1.145 1076 Y CA 1.799 59.519 58.100 -0.634 0.000 1.148 1076 Y CB -0.269 37.971 38.460 -0.367 0.000 0.981 1076 Y HN 0.245 nan 8.280 nan 0.000 0.507 1077 E N -0.160 119.896 120.200 -0.240 0.000 2.106 1077 E HA -0.107 4.242 4.350 -0.002 0.000 0.192 1077 E C 2.455 178.936 176.600 -0.199 0.000 0.984 1077 E CA 1.037 57.270 56.400 -0.278 0.000 0.806 1077 E CB -0.839 28.784 29.700 -0.129 0.000 0.750 1077 E HN 0.620 nan 8.360 nan 0.000 0.458 1078 G N 0.404 109.125 108.800 -0.132 0.000 2.418 1078 G HA2 -0.202 3.757 3.960 -0.002 0.000 0.217 1078 G HA3 -0.202 3.757 3.960 -0.002 0.000 0.217 1078 G C 1.115 175.940 174.900 -0.124 0.000 1.158 1078 G CA 0.131 45.172 45.100 -0.098 0.000 0.771 1078 G HN -0.156 nan 8.290 nan 0.000 0.545 1079 Q N -0.860 118.865 119.800 -0.125 0.000 2.392 1079 Q HA 0.144 4.483 4.340 -0.002 0.000 0.203 1079 Q C 1.747 177.472 176.000 -0.457 0.000 0.917 1079 Q CA -0.473 55.219 55.803 -0.186 0.000 0.939 1079 Q CB 0.152 28.914 28.738 0.041 0.000 1.063 1079 Q HN 0.371 nan 8.270 nan 0.000 0.516 1080 I N 0.848 121.217 120.570 -0.335 0.000 2.676 1080 I HA -0.097 4.072 4.170 -0.002 0.000 0.259 1080 I C -0.245 175.672 176.117 -0.332 0.000 1.194 1080 I CA 0.144 61.176 61.300 -0.447 0.000 1.473 1080 I CB 0.469 38.294 38.000 -0.292 0.000 1.096 1080 I HN -0.298 nan 8.210 nan 0.000 0.443 1081 L N 1.048 122.126 121.223 -0.243 0.000 3.386 1081 L HA -0.187 4.152 4.340 -0.002 0.000 0.686 1081 L C 1.115 177.916 176.870 -0.115 0.000 1.220 1081 L CA -0.524 54.224 54.840 -0.154 0.000 1.165 1081 L CB -2.126 39.861 42.059 -0.120 0.000 1.730 1081 L HN -0.235 nan 8.230 nan 0.000 0.889 1082 R N 2.854 123.290 120.500 -0.108 0.000 2.193 1082 R HA -0.129 4.210 4.340 -0.002 0.000 0.229 1082 R C 0.223 176.488 176.300 -0.058 0.000 1.110 1082 R CA 1.623 57.673 56.100 -0.083 0.000 0.988 1082 R CB 0.062 30.314 30.300 -0.079 0.000 0.871 1082 R HN 0.458 nan 8.270 nan 0.000 0.458 1083 N N -5.656 113.009 118.700 -0.058 0.000 2.270 1083 N HA -0.038 4.679 4.740 -0.038 0.000 0.198 1083 N C -0.813 174.663 175.510 -0.057 0.000 1.117 1083 N CA -0.319 52.703 53.050 -0.047 0.000 0.845 1083 N CB -0.023 38.442 38.487 -0.038 0.000 0.980 1083 N HN -0.502 7.817 8.380 -0.064 0.023 0.486 1084 V N 2.188 122.060 119.914 -0.070 0.000 2.394 1084 V HA 0.124 nan 4.120 nan 0.000 0.282 1084 V C 1.239 177.271 176.094 -0.103 0.000 1.031 1084 V CA -0.648 61.596 62.300 -0.093 0.000 0.881 1084 V CB 1.000 32.765 31.823 -0.097 0.000 0.982 1084 V HN -0.173 7.815 8.190 -0.070 0.160 0.451 1085 I N 6.602 127.084 120.570 -0.146 0.000 2.754 1085 I HA 0.293 4.462 4.170 -0.002 0.000 0.285 1085 I C 0.557 176.559 176.117 -0.191 0.000 1.166 1085 I CA 0.264 61.461 61.300 -0.172 0.000 1.417 1085 I CB 0.235 38.072 38.000 -0.272 0.000 1.382 1085 I HN 0.412 nan 8.210 nan 0.000 0.588 1086 K N 5.443 125.758 120.400 -0.141 0.000 2.203 1086 K HA 0.312 4.631 4.320 -0.002 0.000 0.251 1086 K C -0.061 176.451 176.600 -0.147 0.000 0.944 1086 K CA -1.135 55.068 56.287 -0.140 0.000 0.829 1086 K CB 0.757 33.195 32.500 -0.103 0.000 1.125 1086 K HN 0.152 nan 8.250 nan 0.000 0.430 1087 D N 0.127 120.462 120.400 -0.108 0.000 2.447 1087 D HA 0.016 4.655 4.640 -0.002 0.000 0.265 1087 D C 1.356 177.675 176.300 0.030 0.000 1.250 1087 D CA -0.528 53.476 54.000 0.007 0.000 1.046 1087 D CB 0.596 41.524 40.800 0.213 0.000 1.095 1087 D HN -0.054 nan 8.370 nan 0.000 0.555 1088 Y N -0.627 119.580 120.300 -0.155 0.000 2.256 1088 Y HA -0.125 4.424 4.550 -0.001 0.000 0.288 1088 Y C 1.411 177.120 175.900 -0.319 0.000 1.155 1088 Y CA 1.340 59.236 58.100 -0.340 0.000 1.203 1088 Y CB -0.125 37.909 38.460 -0.709 0.000 0.980 1088 Y HN 0.435 nan 8.280 nan 0.000 0.530 1089 W N -0.728 120.659 121.300 0.146 0.000 3.139 1089 W HA 0.320 4.979 4.660 -0.002 0.000 0.260 1089 W C 1.807 178.316 176.519 -0.017 0.000 1.312 1089 W CA 0.574 57.973 57.345 0.089 0.000 1.606 1089 W CB -0.048 29.488 29.460 0.127 0.000 1.118 1089 W HN 0.160 nan 8.180 nan 0.000 0.675 1090 G N 0.373 108.977 108.800 -0.328 0.000 2.157 1090 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.248 1090 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.248 1090 G C 0.216 175.098 174.900 -0.029 0.000 0.979 1090 G CA -0.308 44.268 45.100 -0.873 0.000 0.650 1090 G HN 0.176 nan 8.290 nan 0.000 0.529 1091 N N 1.330 120.147 118.700 0.196 0.000 2.467 1091 N HA 0.412 5.151 4.740 -0.002 0.000 0.262 1091 N C -2.660 172.777 175.510 -0.121 0.000 1.234 1091 N CA -1.235 51.868 53.050 0.089 0.000 0.952 1091 N CB 0.375 38.951 38.487 0.149 0.000 1.158 1091 N HN 0.066 nan 8.380 nan 0.000 0.463 1092 P HA 0.036 nan 4.420 nan 0.000 0.268 1092 P C -0.005 177.197 177.300 -0.164 0.000 1.204 1092 P CA -0.269 62.672 63.100 -0.265 0.000 0.768 1092 P CB 0.453 31.936 31.700 -0.361 0.000 0.842 1093 L N 4.759 125.852 121.223 -0.216 0.000 2.416 1093 L HA 0.199 4.538 4.340 -0.002 0.000 0.272 1093 L C 0.282 177.017 176.870 -0.225 0.000 1.161 1093 L CA 0.874 55.548 54.840 -0.276 0.000 0.845 1093 L CB -0.035 41.683 42.059 -0.568 0.000 1.119 1093 L HN 0.283 nan 8.230 nan 0.000 0.464 1094 K N 3.734 124.109 120.400 -0.042 0.000 2.385 1094 K HA 0.443 4.762 4.320 -0.002 0.000 0.248 1094 K C -1.006 175.557 176.600 -0.063 0.000 0.955 1094 K CA -0.761 55.491 56.287 -0.060 0.000 0.816 1094 K CB 1.578 34.138 32.500 0.101 0.000 1.250 1094 K HN 0.198 nan 8.250 nan 0.000 0.434 1095 F N 1.763 121.746 119.950 0.055 0.000 2.490 1095 F HA -0.015 4.511 4.527 -0.002 0.000 0.336 1095 F C 0.884 176.687 175.800 0.004 0.000 1.178 1095 F CA 0.558 58.565 58.000 0.012 0.000 1.301 1095 F CB 0.289 39.250 39.000 -0.064 0.000 1.175 1095 F HN 0.675 nan 8.300 nan 0.000 0.593 1096 D N -0.362 120.139 120.400 0.168 0.000 2.945 1096 D HA -0.175 4.464 4.640 -0.002 0.000 0.225 1096 D C -0.413 175.945 176.300 0.097 0.000 1.158 1096 D CA 0.868 54.869 54.000 0.001 0.000 0.805 1096 D CB -1.885 38.706 40.800 -0.349 0.000 1.098 1096 D HN 0.438 nan 8.370 nan 0.000 0.426 1097 T N 0.688 115.287 114.554 0.076 0.000 2.824 1097 T HA 0.303 4.652 4.350 -0.002 0.000 0.282 1097 T C 0.136 174.634 174.700 -0.337 0.000 0.993 1097 T CA -0.677 61.358 62.100 -0.109 0.000 0.967 1097 T CB 2.293 71.053 68.868 -0.179 0.000 0.960 1097 T HN -0.055 nan 8.240 nan 0.000 0.441 1098 E N 2.151 122.140 120.200 -0.351 0.000 2.366 1098 E HA 0.214 4.563 4.350 -0.002 0.000 0.266 1098 E C -1.104 175.125 176.600 -0.619 0.000 1.015 1098 E CA 0.182 56.363 56.400 -0.364 0.000 0.906 1098 E CB 0.526 30.059 29.700 -0.278 0.000 0.979 1098 E HN 0.496 nan 8.360 nan 0.000 0.443 1099 Y N 1.237 121.472 120.300 -0.108 0.000 2.512 1099 Y HA 0.245 4.794 4.550 -0.001 0.000 0.348 1099 Y C -0.772 174.993 175.900 -0.226 0.000 0.990 1099 Y CA -0.958 57.118 58.100 -0.039 0.000 1.033 1099 Y CB 1.134 39.702 38.460 0.180 0.000 1.259 1099 Y HN 0.400 nan 8.280 nan 0.000 0.461 1100 Y N 3.254 123.696 120.300 0.238 0.000 2.425 1100 Y HA 0.419 4.968 4.550 -0.002 0.000 0.347 1100 Y C -0.004 175.954 175.900 0.098 0.000 0.976 1100 Y CA -0.413 57.779 58.100 0.152 0.000 1.190 1100 Y CB 0.339 38.879 38.460 0.133 0.000 1.136 1100 Y HN 0.327 nan 8.280 nan 0.000 0.517 1101 I N 6.207 126.864 120.570 0.145 0.000 2.331 1101 I HA 0.388 4.557 4.170 -0.002 0.000 0.292 1101 I C -0.087 176.081 176.117 0.084 0.000 0.998 1101 I CA -0.614 60.649 61.300 -0.061 0.000 1.267 1101 I CB 0.686 38.537 38.000 -0.248 0.000 1.386 1101 I HN 0.521 nan 8.210 nan 0.000 0.476 1102 I N 2.693 123.304 120.570 0.070 0.000 2.785 1102 I HA 0.363 4.532 4.170 -0.002 0.000 0.302 1102 I C -0.827 175.368 176.117 0.131 0.000 1.069 1102 I CA -1.186 60.200 61.300 0.143 0.000 1.045 1102 I CB 0.670 38.707 38.000 0.061 0.000 1.236 1102 I HN -0.110 nan 8.210 nan 0.000 0.429 1103 N N 4.199 122.901 118.700 0.003 0.000 2.498 1103 N HA -0.016 4.723 4.740 -0.002 0.000 0.287 1103 N C 0.102 175.448 175.510 -0.274 0.000 1.097 1103 N CA -0.410 52.400 53.050 -0.399 0.000 0.973 1103 N CB 1.114 39.313 38.487 -0.480 0.000 1.153 1103 N HN 0.105 nan 8.380 nan 0.000 0.472 1104 D N 2.047 122.247 120.400 -0.333 0.000 2.182 1104 D HA -0.093 4.546 4.640 -0.002 0.000 0.201 1104 D C 0.842 176.959 176.300 -0.306 0.000 0.986 1104 D CA 1.303 55.178 54.000 -0.209 0.000 0.847 1104 D CB 0.234 40.980 40.800 -0.089 0.000 0.942 1104 D HN 0.487 nan 8.370 nan 0.000 0.467 1105 N N -1.030 117.378 118.700 -0.488 0.000 2.494 1105 N HA -0.056 4.683 4.740 -0.002 0.000 0.182 1105 N C -0.447 174.463 175.510 -1.000 0.000 1.076 1105 N CA 0.500 53.082 53.050 -0.781 0.000 0.908 1105 N CB 0.195 38.042 38.487 -1.068 0.000 0.967 1105 N HN 0.292 nan 8.380 nan 0.000 0.449 1106 Y N -0.232 119.919 120.300 -0.249 0.000 2.477 1106 Y HA 0.280 4.830 4.550 -0.001 0.000 0.340 1106 Y C 1.108 176.882 175.900 -0.210 0.000 0.987 1106 Y CA -0.781 57.163 58.100 -0.260 0.000 1.127 1106 Y CB -0.344 37.935 38.460 -0.301 0.000 1.139 1106 Y HN -0.060 nan 8.280 nan 0.000 0.637 1107 I N -2.170 118.330 120.570 -0.117 0.000 2.830 1107 I HA -0.050 4.119 4.170 -0.002 0.000 0.263 1107 I C 0.900 176.842 176.117 -0.292 0.000 1.230 1107 I CA 1.104 62.319 61.300 -0.141 0.000 1.480 1107 I CB 0.177 38.116 38.000 -0.102 0.000 1.095 1107 I HN 0.204 nan 8.210 nan 0.000 0.455 1108 D N 1.786 122.002 120.400 -0.307 0.000 2.722 1108 D HA 0.167 4.806 4.640 -0.002 0.000 0.239 1108 D C 0.082 176.205 176.300 -0.295 0.000 1.249 1108 D CA -0.295 53.335 54.000 -0.616 0.000 0.830 1108 D CB 0.024 40.633 40.800 -0.319 0.000 1.025 1108 D HN 0.432 nan 8.370 nan 0.000 0.486 1109 R N 0.493 120.973 120.500 -0.034 0.000 2.621 1109 R HA 0.416 4.755 4.340 -0.002 0.000 0.292 1109 R C -0.930 175.629 176.300 0.432 0.000 0.969 1109 R CA -0.990 55.239 56.100 0.215 0.000 0.887 1109 R CB 1.660 31.960 30.300 0.000 0.000 1.180 1109 R HN 0.157 nan 8.270 nan 0.000 0.450 1110 Y N -0.005 120.513 120.300 0.364 0.000 2.496 1110 Y HA 0.628 5.177 4.550 -0.002 0.000 0.331 1110 Y C -0.145 175.850 175.900 0.158 0.000 1.140 1110 Y CA -1.403 56.850 58.100 0.254 0.000 1.166 1110 Y CB 0.792 39.324 38.460 0.121 0.000 1.249 1110 Y HN 0.348 nan 8.280 nan 0.000 0.479 1111 I N 3.035 123.770 120.570 0.275 0.000 2.441 1111 I HA 0.585 4.754 4.170 -0.002 0.000 0.287 1111 I C 0.004 176.221 176.117 0.166 0.000 1.049 1111 I CA -0.373 61.006 61.300 0.130 0.000 1.381 1111 I CB 0.767 38.825 38.000 0.096 0.000 1.409 1111 I HN 0.865 nan 8.210 nan 0.000 0.523 1112 A N 8.408 131.245 122.820 0.028 0.000 2.589 1112 A HA 0.760 5.079 4.320 -0.002 0.000 0.296 1112 A C -2.886 174.628 177.584 -0.117 0.000 1.062 1112 A CA -1.270 50.778 52.037 0.018 0.000 0.686 1112 A CB 1.958 21.033 19.000 0.125 0.000 1.282 1112 A HN 0.434 nan 8.150 nan 0.000 0.404 1113 P HA 0.431 nan 4.420 nan 0.000 0.286 1113 P C -0.998 176.211 177.300 -0.152 0.000 1.269 1113 P CA 0.123 63.045 63.100 -0.296 0.000 0.787 1113 P CB 1.176 32.535 31.700 -0.567 0.000 0.920 1114 E N 1.293 121.516 120.200 0.038 0.000 2.220 1114 E HA 0.270 4.619 4.350 -0.002 0.000 0.256 1114 E C -0.298 176.482 176.600 0.301 0.000 0.881 1114 E CA -0.689 55.817 56.400 0.178 0.000 0.766 1114 E CB 0.816 30.717 29.700 0.336 0.000 1.187 1114 E HN 0.280 nan 8.360 nan 0.000 0.419 1115 S N 3.129 118.918 115.700 0.147 0.000 3.614 1115 S HA -0.247 4.222 4.470 -0.002 0.000 0.360 1115 S C 0.453 175.143 174.600 0.151 0.000 1.023 1115 S CA 1.020 59.305 58.200 0.142 0.000 1.114 1115 S CB -1.277 62.009 63.200 0.143 0.000 0.907 1115 S HN 0.908 nan 8.310 nan 0.000 0.470 1116 N N -1.272 117.447 118.700 0.032 0.000 2.735 1116 N HA -0.191 4.548 4.740 -0.002 0.000 0.248 1116 N C -0.775 174.719 175.510 -0.026 0.000 1.083 1116 N CA 1.193 54.219 53.050 -0.041 0.000 0.703 1116 N CB -1.111 37.358 38.487 -0.029 0.000 1.005 1116 N HN 0.532 nan 8.380 nan 0.000 0.550 1117 V N 1.305 121.212 119.914 -0.012 0.000 2.531 1117 V HA 0.420 4.539 4.120 -0.002 0.000 0.301 1117 V C 0.553 176.558 176.094 -0.148 0.000 1.034 1117 V CA -0.877 61.344 62.300 -0.131 0.000 0.865 1117 V CB 1.873 33.481 31.823 -0.358 0.000 0.995 1117 V HN 0.141 nan 8.190 nan 0.000 0.424 1118 L N 5.818 126.943 121.223 -0.163 0.000 2.380 1118 L HA 0.636 4.975 4.340 -0.002 0.000 0.273 1118 L C -0.015 176.768 176.870 -0.145 0.000 1.138 1118 L CA -0.126 54.631 54.840 -0.138 0.000 0.832 1118 L CB 1.164 43.150 42.059 -0.121 0.000 1.124 1118 L HN 0.627 nan 8.230 nan 0.000 0.454 1119 V N 1.378 121.231 119.914 -0.102 0.000 3.181 1119 V HA 0.558 4.677 4.120 -0.002 0.000 0.308 1119 V C -0.673 175.383 176.094 -0.064 0.000 1.214 1119 V CA -1.100 61.147 62.300 -0.089 0.000 1.053 1119 V CB 2.230 34.013 31.823 -0.067 0.000 1.069 1119 V HN 0.529 nan 8.190 nan 0.000 0.441 1120 L N 1.808 123.000 121.223 -0.052 0.000 2.272 1120 L HA 0.718 5.057 4.340 -0.002 0.000 0.289 1120 L C -0.689 176.106 176.870 -0.125 0.000 1.032 1120 L CA -0.713 54.074 54.840 -0.088 0.000 0.810 1120 L CB 1.548 43.544 42.059 -0.104 0.000 1.205 1120 L HN 0.513 nan 8.230 nan 0.000 0.422 1121 V N 2.865 122.583 119.914 -0.326 0.000 2.459 1121 V HA 0.223 4.342 4.120 -0.002 0.000 0.295 1121 V C 0.118 176.067 176.094 -0.242 0.000 1.029 1121 V CA -0.671 61.407 62.300 -0.370 0.000 0.874 1121 V CB 1.679 33.081 31.823 -0.702 0.000 0.985 1121 V HN 0.762 nan 8.190 nan 0.000 0.438 1122 Q N 3.084 122.882 119.800 -0.003 0.000 2.274 1122 Q HA 0.125 4.464 4.340 -0.002 0.000 0.280 1122 Q C -0.725 175.478 176.000 0.339 0.000 1.047 1122 Q CA 0.066 55.959 55.803 0.151 0.000 0.907 1122 Q CB 0.251 29.060 28.738 0.118 0.000 1.171 1122 Q HN 0.699 nan 8.270 nan 0.000 0.381 1123 Y N 5.270 125.691 120.300 0.201 0.000 2.895 1123 Y HA -0.139 4.410 4.550 -0.001 0.000 0.334 1123 Y C -1.219 174.780 175.900 0.165 0.000 1.261 1123 Y CA -1.085 57.162 58.100 0.245 0.000 1.560 1123 Y CB 0.322 38.875 38.460 0.155 0.000 1.253 1123 Y HN 0.725 nan 8.280 nan 0.000 0.582 1124 P HA -0.130 nan 4.420 nan 0.000 0.220 1124 P C -0.292 177.107 177.300 0.164 0.000 1.148 1124 P CA 1.506 64.710 63.100 0.174 0.000 0.803 1124 P CB 0.319 32.090 31.700 0.118 0.000 0.782 1125 D N -1.549 118.973 120.400 0.203 0.000 2.476 1125 D HA 0.124 4.763 4.640 -0.002 0.000 0.251 1125 D C 0.663 177.123 176.300 0.267 0.000 1.291 1125 D CA -0.628 53.483 54.000 0.184 0.000 0.939 1125 D CB 0.687 41.566 40.800 0.132 0.000 1.221 1125 D HN -0.309 nan 8.370 nan 0.000 0.567 1126 R N 1.815 122.434 120.500 0.199 0.000 2.249 1126 R HA -0.122 4.217 4.340 -0.002 0.000 0.230 1126 R C 1.572 178.017 176.300 0.243 0.000 1.121 1126 R CA 1.751 57.943 56.100 0.153 0.000 0.997 1126 R CB 0.191 30.511 30.300 0.034 0.000 0.867 1126 R HN 0.409 nan 8.270 nan 0.000 0.465 1127 S N -0.452 115.391 115.700 0.238 0.000 2.489 1127 S HA 0.039 4.508 4.470 -0.002 0.000 0.228 1127 S C 0.347 175.166 174.600 0.365 0.000 0.995 1127 S CA 0.218 58.603 58.200 0.308 0.000 0.934 1127 S CB 0.242 63.557 63.200 0.192 0.000 0.771 1127 S HN 0.013 nan 8.310 nan 0.000 0.522 1128 K N 1.638 122.208 120.400 0.284 0.000 2.253 1128 K HA 0.378 4.697 4.320 -0.002 0.000 0.277 1128 K C 0.517 177.208 176.600 0.151 0.000 1.053 1128 K CA -0.221 56.179 56.287 0.188 0.000 0.892 1128 K CB 1.463 34.023 32.500 0.100 0.000 1.102 1128 K HN 0.264 nan 8.250 nan 0.000 0.469 1129 L N 1.788 122.959 121.223 -0.087 0.000 2.095 1129 L HA -0.066 4.273 4.340 -0.002 0.000 0.204 1129 L C 0.474 177.145 176.870 -0.332 0.000 1.080 1129 L CA 1.043 55.698 54.840 -0.309 0.000 0.759 1129 L CB -0.136 41.423 42.059 -0.833 0.000 0.914 1129 L HN 0.513 nan 8.230 nan 0.000 0.439 1130 Y N 0.842 120.952 120.300 -0.316 0.000 2.724 1130 Y HA 0.167 4.716 4.550 -0.002 0.000 0.354 1130 Y C 0.184 175.512 175.900 -0.954 0.000 1.270 1130 Y CA -0.642 56.965 58.100 -0.822 0.000 1.902 1130 Y CB -1.252 37.034 38.460 -0.291 0.000 1.981 1130 Y HN -0.105 nan 8.280 nan 0.000 0.428 1131 T N 0.017 114.009 114.554 -0.937 0.000 2.841 1131 T HA 0.762 5.111 4.350 -0.002 0.000 0.283 1131 T C 0.552 174.825 174.700 -0.711 0.000 1.000 1131 T CA -0.182 61.425 62.100 -0.821 0.000 0.977 1131 T CB 1.931 70.122 68.868 -1.127 0.000 0.979 1131 T HN 0.738 nan 8.240 nan 0.000 0.446 1132 G N 2.989 111.447 108.800 -0.570 0.000 2.297 1132 G HA2 -0.072 3.887 3.960 -0.002 0.000 0.209 1132 G HA3 -0.072 3.887 3.960 -0.002 0.000 0.209 1132 G C -1.724 173.240 174.900 0.108 0.000 1.267 1132 G CA -0.999 43.847 45.100 -0.422 0.000 1.127 1132 G HN 0.663 nan 8.290 nan 0.000 0.498 1133 N N 2.404 121.244 118.700 0.234 0.000 2.558 1133 N HA 0.474 5.213 4.740 -0.002 0.000 0.242 1133 N C -2.943 172.604 175.510 0.062 0.000 0.979 1133 N CA -0.946 52.218 53.050 0.189 0.000 0.931 1133 N CB 1.850 40.494 38.487 0.261 0.000 1.122 1133 N HN 0.198 nan 8.380 nan 0.000 0.508 1134 P HA 0.102 nan 4.420 nan 0.000 0.262 1134 P C -0.172 177.074 177.300 -0.090 0.000 1.182 1134 P CA 0.376 63.275 63.100 -0.335 0.000 0.761 1134 P CB 0.672 32.169 31.700 -0.338 0.000 0.795 1135 I N 2.568 123.108 120.570 -0.050 0.000 2.378 1135 I HA 0.239 4.408 4.170 -0.002 0.000 0.291 1135 I C 0.311 176.497 176.117 0.114 0.000 0.992 1135 I CA -0.273 61.067 61.300 0.067 0.000 1.154 1135 I CB 1.723 39.772 38.000 0.082 0.000 1.315 1135 I HN 0.167 nan 8.210 nan 0.000 0.448 1136 T N 6.858 121.485 114.554 0.122 0.000 2.829 1136 T HA 0.565 4.914 4.350 -0.002 0.000 0.282 1136 T C -0.044 174.724 174.700 0.114 0.000 0.990 1136 T CA -0.358 61.813 62.100 0.117 0.000 1.028 1136 T CB 1.027 69.946 68.868 0.085 0.000 0.951 1136 T HN 0.253 nan 8.240 nan 0.000 0.460 1137 I N 3.880 124.546 120.570 0.159 0.000 2.315 1137 I HA 0.351 4.520 4.170 -0.002 0.000 0.291 1137 I C 0.251 176.514 176.117 0.243 0.000 1.006 1137 I CA -0.879 60.514 61.300 0.155 0.000 1.265 1137 I CB 0.722 38.779 38.000 0.094 0.000 1.387 1137 I HN 0.207 nan 8.210 nan 0.000 0.475 1138 K N 4.256 124.718 120.400 0.105 0.000 2.207 1138 K HA 0.409 4.728 4.320 -0.002 0.000 0.255 1138 K C -0.477 176.059 176.600 -0.106 0.000 0.941 1138 K CA -0.701 55.562 56.287 -0.040 0.000 0.825 1138 K CB 2.091 34.405 32.500 -0.309 0.000 1.119 1138 K HN 0.442 nan 8.250 nan 0.000 0.430 1139 S N 1.139 116.474 115.700 -0.608 0.000 2.528 1139 S HA 0.124 4.593 4.470 -0.002 0.000 0.277 1139 S C 1.416 175.799 174.600 -0.362 0.000 1.297 1139 S CA -0.599 57.087 58.200 -0.857 0.000 1.052 1139 S CB 0.541 62.969 63.200 -1.288 0.000 0.917 1139 S HN 0.334 nan 8.310 nan 0.000 0.492 1140 V N 4.267 124.054 119.914 -0.212 0.000 2.255 1140 V HA -0.033 4.086 4.120 -0.002 0.000 0.243 1140 V C 1.354 177.358 176.094 -0.149 0.000 1.038 1140 V CA 1.534 63.756 62.300 -0.130 0.000 1.008 1140 V CB -0.889 30.896 31.823 -0.064 0.000 0.645 1140 V HN 0.973 nan 8.190 nan 0.000 0.449 1141 S N 0.772 116.382 115.700 -0.150 0.000 2.533 1141 S HA 0.076 4.545 4.470 -0.002 0.000 0.282 1141 S C -0.473 174.005 174.600 -0.204 0.000 1.304 1141 S CA -0.557 57.560 58.200 -0.139 0.000 1.063 1141 S CB 0.451 63.589 63.200 -0.103 0.000 0.881 1141 S HN 0.393 nan 8.310 nan 0.000 0.493 1142 D N 3.040 123.342 120.400 -0.164 0.000 2.352 1142 D HA 0.335 4.974 4.640 -0.002 0.000 0.245 1142 D C 0.120 176.318 176.300 -0.169 0.000 1.224 1142 D CA 0.032 53.919 54.000 -0.187 0.000 0.879 1142 D CB 0.686 41.401 40.800 -0.142 0.000 1.057 1142 D HN 0.542 nan 8.370 nan 0.000 0.491 1143 K N 1.370 121.631 120.400 -0.231 0.000 2.177 1143 K HA 0.319 4.638 4.320 -0.002 0.000 0.238 1143 K C 0.262 176.789 176.600 -0.121 0.000 1.015 1143 K CA -0.853 55.341 56.287 -0.155 0.000 0.922 1143 K CB 0.797 33.203 32.500 -0.156 0.000 1.127 1143 K HN 0.162 nan 8.250 nan 0.000 0.469 1144 N N 2.596 121.265 118.700 -0.052 0.000 2.454 1144 N HA 0.053 4.792 4.740 -0.002 0.000 0.254 1144 N C -2.436 173.054 175.510 -0.033 0.000 1.228 1144 N CA -1.072 51.962 53.050 -0.026 0.000 0.900 1144 N CB -0.136 38.362 38.487 0.018 0.000 1.089 1144 N HN 0.320 nan 8.380 nan 0.000 0.449 1145 P HA -0.089 nan 4.420 nan 0.000 0.265 1145 P C -0.388 176.874 177.300 -0.063 0.000 1.187 1145 P CA 0.367 63.322 63.100 -0.242 0.000 0.766 1145 P CB 0.105 31.606 31.700 -0.332 0.000 0.820 1146 Y N -1.524 118.837 120.300 0.101 0.000 4.881 1146 Y HA -0.277 4.272 4.550 -0.002 0.000 0.241 1146 Y C 1.229 177.187 175.900 0.097 0.000 0.985 1146 Y CA 1.047 59.203 58.100 0.093 0.000 1.976 1146 Y CB -3.013 35.469 38.460 0.038 0.000 1.528 1146 Y HN 0.469 nan 8.280 nan 0.000 0.581 1147 S N 1.046 116.896 115.700 0.249 0.000 2.584 1147 S HA 0.440 4.908 4.470 -0.002 0.000 0.270 1147 S C 0.512 175.215 174.600 0.171 0.000 1.346 1147 S CA -0.849 57.471 58.200 0.201 0.000 1.018 1147 S CB 1.012 64.324 63.200 0.185 0.000 0.899 1147 S HN 0.346 nan 8.310 nan 0.000 0.542 1148 R N 0.704 121.234 120.500 0.050 0.000 2.643 1148 R HA 0.284 4.623 4.340 -0.002 0.000 0.270 1148 R C -0.292 175.919 176.300 -0.149 0.000 1.061 1148 R CA 0.032 56.085 56.100 -0.078 0.000 1.107 1148 R CB 0.113 30.360 30.300 -0.090 0.000 0.999 1148 R HN 0.623 nan 8.270 nan 0.000 0.460 1149 I N 4.382 124.725 120.570 -0.378 0.000 2.342 1149 I HA 0.187 4.356 4.170 -0.002 0.000 0.291 1149 I C 0.132 176.110 176.117 -0.231 0.000 1.010 1149 I CA -0.257 60.749 61.300 -0.489 0.000 1.308 1149 I CB 0.745 38.283 38.000 -0.771 0.000 1.400 1149 I HN 0.285 nan 8.210 nan 0.000 0.488 1150 L N 4.276 125.436 121.223 -0.105 0.000 2.334 1150 L HA 0.268 4.607 4.340 -0.002 0.000 0.270 1150 L C 0.238 177.083 176.870 -0.043 0.000 1.018 1150 L CA -1.379 53.423 54.840 -0.062 0.000 0.811 1150 L CB 0.508 42.556 42.059 -0.017 0.000 1.271 1150 L HN -0.085 nan 8.230 nan 0.000 0.443 1151 N N 0.752 119.431 118.700 -0.034 0.000 2.411 1151 N HA -0.088 4.651 4.740 -0.002 0.000 0.261 1151 N C 1.098 176.615 175.510 0.011 0.000 1.248 1151 N CA 0.182 53.228 53.050 -0.008 0.000 0.885 1151 N CB 0.517 38.999 38.487 -0.008 0.000 1.062 1151 N HN -0.017 nan 8.380 nan 0.000 0.471 1152 G N 2.627 111.447 108.800 0.034 0.000 2.205 1152 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.261 1152 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.261 1152 G C 0.030 174.963 174.900 0.054 0.000 0.980 1152 G CA -0.374 44.749 45.100 0.039 0.000 0.632 1152 G HN 0.455 nan 8.290 nan 0.000 0.533 1153 D N 1.350 121.787 120.400 0.061 0.000 2.449 1153 D HA 0.072 4.711 4.640 -0.002 0.000 0.236 1153 D C 0.181 176.553 176.300 0.120 0.000 1.149 1153 D CA -0.432 53.629 54.000 0.101 0.000 0.878 1153 D CB 0.543 41.441 40.800 0.164 0.000 1.198 1153 D HN -0.119 nan 8.370 nan 0.000 0.446 1154 N N 1.286 120.054 118.700 0.114 0.000 2.529 1154 N HA 0.382 5.121 4.740 -0.002 0.000 0.278 1154 N C 0.206 175.813 175.510 0.162 0.000 1.146 1154 N CA -0.053 53.065 53.050 0.113 0.000 0.980 1154 N CB 0.827 39.350 38.487 0.060 0.000 1.124 1154 N HN -0.062 nan 8.380 nan 0.000 0.458 1155 I N -2.018 118.663 120.570 0.185 0.000 3.095 1155 I HA 0.616 4.785 4.170 -0.002 0.000 0.310 1155 I C -1.007 175.229 176.117 0.199 0.000 1.196 1155 I CA -0.977 60.461 61.300 0.229 0.000 0.985 1155 I CB 2.085 40.223 38.000 0.230 0.000 1.250 1155 I HN 0.212 nan 8.210 nan 0.000 0.446 1156 I N 3.365 124.022 120.570 0.145 0.000 2.569 1156 I HA 0.457 4.625 4.170 -0.002 0.000 0.296 1156 I C -1.017 175.147 176.117 0.078 0.000 1.028 1156 I CA -0.815 60.562 61.300 0.129 0.000 1.082 1156 I CB 2.411 40.425 38.000 0.023 0.000 1.264 1156 I HN 0.410 nan 8.210 nan 0.000 0.429 1157 L N 5.718 127.033 121.223 0.153 0.000 2.305 1157 L HA 0.472 4.811 4.340 -0.002 0.000 0.284 1157 L C -0.674 176.339 176.870 0.238 0.000 1.013 1157 L CA -0.530 54.378 54.840 0.112 0.000 0.819 1157 L CB 0.984 43.062 42.059 0.031 0.000 1.227 1157 L HN 0.528 nan 8.230 nan 0.000 0.417 1158 H N 4.153 123.284 119.070 0.101 0.000 2.504 1158 H HA 0.397 4.952 4.556 -0.002 0.000 0.322 1158 H C -0.539 174.849 175.328 0.100 0.000 1.055 1158 H CA -0.709 55.400 56.048 0.101 0.000 1.231 1158 H CB 2.432 32.242 29.762 0.080 0.000 1.417 1158 H HN 0.485 nan 8.280 nan 0.000 0.472 1159 M N 4.491 124.237 119.600 0.242 0.000 2.209 1159 M HA 0.212 4.691 4.480 -0.002 0.000 0.355 1159 M C -1.329 175.123 176.300 0.253 0.000 1.171 1159 M CA -1.141 54.281 55.300 0.204 0.000 1.069 1159 M CB 0.836 33.534 32.600 0.164 0.000 1.622 1159 M HN 0.424 nan 8.290 nan 0.000 0.459 1160 L N 6.715 128.056 121.223 0.196 0.000 2.260 1160 L HA 0.363 4.702 4.340 -0.002 0.000 0.289 1160 L C -1.864 175.176 176.870 0.283 0.000 1.057 1160 L CA -0.034 54.925 54.840 0.198 0.000 0.811 1160 L CB 0.599 42.717 42.059 0.099 0.000 1.184 1160 L HN 0.661 nan 8.230 nan 0.000 0.429 1161 Y N 5.598 126.030 120.300 0.220 0.000 2.329 1161 Y HA 0.370 4.919 4.550 -0.002 0.000 0.328 1161 Y C 0.226 176.245 175.900 0.198 0.000 0.992 1161 Y CA -1.148 57.063 58.100 0.186 0.000 1.151 1161 Y CB 0.805 39.337 38.460 0.120 0.000 1.150 1161 Y HN 0.752 nan 8.280 nan 0.000 0.450 1162 N N 4.073 122.507 118.700 -0.443 0.000 2.699 1162 N HA -0.251 4.488 4.740 -0.002 0.000 0.256 1162 N C 0.171 175.613 175.510 -0.112 0.000 0.993 1162 N CA 1.659 54.505 53.050 -0.339 0.000 0.759 1162 N CB -1.217 36.948 38.487 -0.536 0.000 0.906 1162 N HN 0.758 nan 8.380 nan 0.000 0.541 1163 S N -3.055 112.621 115.700 -0.040 0.000 3.127 1163 S HA -0.283 4.186 4.470 -0.002 0.000 0.281 1163 S C 0.365 174.959 174.600 -0.009 0.000 1.293 1163 S CA 1.480 59.671 58.200 -0.014 0.000 1.156 1163 S CB -0.655 62.529 63.200 -0.027 0.000 1.389 1163 S HN 0.701 nan 8.310 nan 0.000 0.672 1164 R N 0.482 120.995 120.500 0.022 0.000 2.803 1164 R HA 0.592 4.931 4.340 -0.002 0.000 0.276 1164 R C -0.767 175.464 176.300 -0.114 0.000 0.978 1164 R CA -1.111 54.934 56.100 -0.091 0.000 0.939 1164 R CB 0.782 30.964 30.300 -0.197 0.000 1.179 1164 R HN -0.122 nan 8.270 nan 0.000 0.472 1165 K N 2.005 122.247 120.400 -0.263 0.000 2.201 1165 K HA 0.332 4.651 4.320 -0.002 0.000 0.278 1165 K C -0.950 175.397 176.600 -0.421 0.000 1.027 1165 K CA -0.150 56.017 56.287 -0.199 0.000 0.909 1165 K CB 0.869 33.252 32.500 -0.196 0.000 1.062 1165 K HN 0.476 nan 8.250 nan 0.000 0.465 1166 Y N 0.236 120.508 120.300 -0.046 0.000 2.545 1166 Y HA 0.397 4.946 4.550 -0.002 0.000 0.348 1166 Y C 0.290 176.154 175.900 -0.061 0.000 1.002 1166 Y CA -0.997 57.072 58.100 -0.051 0.000 1.039 1166 Y CB 2.144 40.613 38.460 0.015 0.000 1.271 1166 Y HN 0.427 nan 8.280 nan 0.000 0.467 1167 M N 3.568 123.243 119.600 0.124 0.000 2.188 1167 M HA 0.504 4.983 4.480 -0.002 0.000 0.357 1167 M C -1.321 175.087 176.300 0.180 0.000 1.204 1167 M CA -0.268 55.149 55.300 0.196 0.000 1.095 1167 M CB 0.468 33.178 32.600 0.182 0.000 1.604 1167 M HN 0.611 nan 8.290 nan 0.000 0.464 1168 I N 6.923 127.610 120.570 0.196 0.000 2.416 1168 I HA 0.230 4.399 4.170 -0.002 0.000 0.288 1168 I C -0.175 176.063 176.117 0.201 0.000 1.051 1168 I CA -0.319 61.062 61.300 0.134 0.000 1.375 1168 I CB 0.332 38.368 38.000 0.059 0.000 1.407 1168 I HN 0.670 nan 8.210 nan 0.000 0.516 1169 I N 3.750 124.389 120.570 0.114 0.000 2.785 1169 I HA 0.573 4.742 4.170 -0.002 0.000 0.302 1169 I C -0.193 175.959 176.117 0.058 0.000 1.069 1169 I CA -1.093 60.243 61.300 0.060 0.000 1.045 1169 I CB 1.797 39.752 38.000 -0.074 0.000 1.236 1169 I HN 0.496 nan 8.210 nan 0.000 0.429 1170 R N 1.918 122.414 120.500 -0.006 0.000 2.641 1170 R HA 0.157 4.496 4.340 -0.002 0.000 0.269 1170 R C -0.726 175.548 176.300 -0.043 0.000 1.074 1170 R CA -0.297 55.800 56.100 -0.004 0.000 1.133 1170 R CB 0.592 30.837 30.300 -0.092 0.000 1.029 1170 R HN 0.669 nan 8.270 nan 0.000 0.488 1171 D N 0.935 121.354 120.400 0.030 0.000 2.399 1171 D HA 0.016 4.655 4.640 -0.002 0.000 0.241 1171 D C 0.839 177.201 176.300 0.104 0.000 1.133 1171 D CA 0.321 54.362 54.000 0.067 0.000 0.890 1171 D CB 1.359 42.224 40.800 0.108 0.000 1.201 1171 D HN 0.441 nan 8.370 nan 0.000 0.432 1172 T N 0.773 115.384 114.554 0.095 0.000 2.777 1172 T HA -0.061 4.288 4.350 -0.002 0.000 0.266 1172 T C 0.377 175.228 174.700 0.251 0.000 1.040 1172 T CA 0.799 62.980 62.100 0.134 0.000 1.141 1172 T CB 0.061 68.987 68.868 0.096 0.000 0.868 1172 T HN 0.362 nan 8.240 nan 0.000 0.444 1173 D N 1.234 121.775 120.400 0.236 0.000 2.269 1173 D HA 0.325 4.964 4.640 -0.002 0.000 0.244 1173 D C 0.357 176.713 176.300 0.093 0.000 0.992 1173 D CA -0.203 53.923 54.000 0.210 0.000 0.894 1173 D CB 1.669 42.519 40.800 0.083 0.000 1.248 1173 D HN 0.263 nan 8.370 nan 0.000 0.468 1174 T N -1.430 113.022 114.554 -0.170 0.000 2.663 1174 T HA 0.022 4.371 4.350 -0.002 0.000 0.325 1174 T C 1.414 175.929 174.700 -0.309 0.000 1.059 1174 T CA -0.312 61.468 62.100 -0.534 0.000 1.039 1174 T CB 0.588 69.190 68.868 -0.442 0.000 0.996 1174 T HN 0.441 nan 8.240 nan 0.000 0.539 1175 I N -0.157 120.154 120.570 -0.431 0.000 2.585 1175 I HA 0.088 4.257 4.170 -0.002 0.000 0.254 1175 I C 0.817 176.686 176.117 -0.413 0.000 1.129 1175 I CA 0.273 61.288 61.300 -0.474 0.000 1.455 1175 I CB 0.096 37.684 38.000 -0.686 0.000 1.111 1175 I HN 0.753 nan 8.210 nan 0.000 0.433 1176 Y N 1.085 121.332 120.300 -0.088 0.000 2.683 1176 Y HA 0.594 5.143 4.550 -0.002 0.000 0.297 1176 Y C 1.054 176.925 175.900 -0.049 0.000 1.147 1176 Y CA -0.531 57.542 58.100 -0.045 0.000 1.274 1176 Y CB -1.058 37.384 38.460 -0.029 0.000 1.143 1176 Y HN 0.045 nan 8.280 nan 0.000 0.527 1183 c N 2.650 121.308 118.600 0.097 0.000 2.626 1183 c HA 0.734 5.303 4.570 -0.002 0.000 0.310 1183 c C 0.719 174.863 174.090 0.090 0.000 1.191 1183 c CA -0.093 56.284 56.329 0.079 0.000 1.517 1183 c CB 1.523 44.067 42.510 0.057 0.000 2.102 1183 c HN 0.760 nan 8.230 nan 0.000 0.479 1184 S N 1.401 117.138 115.700 0.061 0.000 2.599 1184 S HA 0.215 4.684 4.470 -0.002 0.000 0.236 1184 S C -0.044 174.590 174.600 0.056 0.000 1.077 1184 S CA 0.253 58.486 58.200 0.056 0.000 0.906 1184 S CB 0.047 63.267 63.200 0.033 0.000 0.804 1184 S HN 0.821 nan 8.310 nan 0.000 0.497 1185 Q N 2.499 122.326 119.800 0.044 0.000 2.325 1185 Q HA 0.385 4.724 4.340 -0.002 0.000 0.262 1185 Q C -0.620 175.408 176.000 0.046 0.000 0.968 1185 Q CA -0.236 55.590 55.803 0.038 0.000 0.877 1185 Q CB 0.828 29.579 28.738 0.023 0.000 1.253 1185 Q HN 0.259 nan 8.270 nan 0.000 0.448 1186 N N 0.747 119.482 118.700 0.058 0.000 2.699 1186 N HA -0.186 4.553 4.740 -0.002 0.000 0.256 1186 N C -0.709 174.845 175.510 0.073 0.000 0.993 1186 N CA 0.579 53.674 53.050 0.075 0.000 0.759 1186 N CB -1.347 37.179 38.487 0.066 0.000 0.906 1186 N HN 0.543 nan 8.380 nan 0.000 0.541 1187 c N 0.139 118.773 118.600 0.058 0.000 2.536 1187 c HA 0.511 5.080 4.570 -0.002 0.000 0.396 1187 c C 1.219 175.242 174.090 -0.110 0.000 1.279 1187 c CA -0.771 55.518 56.329 -0.067 0.000 2.148 1187 c CB 1.009 43.489 42.510 -0.051 0.000 2.584 1187 c HN 0.216 nan 8.230 nan 0.000 0.579 1188 V N 3.132 122.859 119.914 -0.312 0.000 2.483 1188 V HA 0.374 4.493 4.120 -0.002 0.000 0.297 1188 V C -1.022 174.761 176.094 -0.519 0.000 1.027 1188 V CA -0.464 61.653 62.300 -0.304 0.000 0.855 1188 V CB 0.834 32.453 31.823 -0.339 0.000 0.995 1188 V HN 0.814 nan 8.190 nan 0.000 0.424 1189 Y N 2.704 122.921 120.300 -0.139 0.000 2.352 1189 Y HA 0.750 5.299 4.550 -0.002 0.000 0.339 1189 Y C 0.661 176.454 175.900 -0.178 0.000 0.992 1189 Y CA -0.521 57.501 58.100 -0.130 0.000 1.100 1189 Y CB 1.755 40.196 38.460 -0.032 0.000 1.192 1189 Y HN 0.743 nan 8.280 nan 0.000 0.458 1190 A N 3.811 126.576 122.820 -0.092 0.000 2.280 1190 A HA 0.753 5.072 4.320 -0.002 0.000 0.268 1190 A C -0.627 176.927 177.584 -0.051 0.000 1.111 1190 A CA -0.431 51.520 52.037 -0.143 0.000 0.814 1190 A CB 0.368 19.228 19.000 -0.232 0.000 1.093 1190 A HN 0.798 nan 8.150 nan 0.000 0.498 1191 L N -0.322 120.853 121.223 -0.080 0.000 2.319 1191 L HA 0.675 5.014 4.340 -0.002 0.000 0.267 1191 L C 0.195 177.020 176.870 -0.074 0.000 1.011 1191 L CA -0.830 53.981 54.840 -0.048 0.000 0.818 1191 L CB 1.855 43.879 42.059 -0.057 0.000 1.316 1191 L HN 0.996 nan 8.230 nan 0.000 0.432 1192 K N 0.720 121.089 120.400 -0.051 0.000 2.367 1192 K HA 0.708 5.027 4.320 -0.002 0.000 0.272 1192 K C -1.768 174.796 176.600 -0.059 0.000 1.046 1192 K CA -0.978 55.267 56.287 -0.069 0.000 0.895 1192 K CB 1.841 34.308 32.500 -0.054 0.000 1.512 1192 K HN 0.423 nan 8.250 nan 0.000 0.433 1193 L N 1.188 122.358 121.223 -0.087 0.000 2.334 1193 L HA 0.438 4.777 4.340 -0.002 0.000 0.273 1193 L C -0.799 176.084 176.870 0.022 0.000 1.013 1193 L CA -0.867 53.937 54.840 -0.060 0.000 0.816 1193 L CB 2.060 43.962 42.059 -0.261 0.000 1.278 1193 L HN 0.777 nan 8.230 nan 0.000 0.431 1194 Q N -0.200 119.671 119.800 0.118 0.000 2.347 1194 Q HA 0.352 4.691 4.340 -0.002 0.000 0.271 1194 Q C -0.126 175.990 176.000 0.192 0.000 1.064 1194 Q CA -0.701 55.173 55.803 0.117 0.000 0.800 1194 Q CB 2.028 30.751 28.738 -0.025 0.000 1.304 1194 Q HN 0.605 nan 8.270 nan 0.000 0.438 1195 S N 1.999 117.791 115.700 0.154 0.000 2.496 1195 S HA 0.046 4.515 4.470 -0.002 0.000 0.224 1195 S C 0.099 174.655 174.600 -0.073 0.000 0.996 1195 S CA 0.175 58.364 58.200 -0.020 0.000 0.927 1195 S CB -0.207 62.954 63.200 -0.065 0.000 0.774 1195 S HN 0.625 nan 8.310 nan 0.000 0.524 1196 N N 2.370 121.053 118.700 -0.027 0.000 2.405 1196 N HA 0.377 5.116 4.740 -0.002 0.000 0.260 1196 N C -1.188 174.357 175.510 0.058 0.000 1.152 1196 N CA -0.180 52.870 53.050 -0.001 0.000 0.948 1196 N CB 0.540 39.030 38.487 0.005 0.000 1.111 1196 N HN 0.197 nan 8.380 nan 0.000 0.485 1197 L N 1.595 122.838 121.223 0.034 0.000 2.350 1197 L HA 0.721 5.060 4.340 -0.002 0.000 0.275 1197 L C 1.197 178.171 176.870 0.172 0.000 1.099 1197 L CA -0.045 54.830 54.840 0.058 0.000 0.808 1197 L CB 0.618 42.625 42.059 -0.087 0.000 1.149 1197 L HN 0.657 nan 8.230 nan 0.000 0.442 1198 G N 1.777 110.698 108.800 0.201 0.000 2.328 1198 G HA2 0.087 4.046 3.960 -0.002 0.000 0.299 1198 G HA3 0.087 4.046 3.960 -0.002 0.000 0.299 1198 G C -1.321 173.512 174.900 -0.111 0.000 1.435 1198 G CA -0.947 44.151 45.100 -0.004 0.000 0.865 1198 G HN 0.360 nan 8.290 nan 0.000 0.601 1199 N N 0.522 119.028 118.700 -0.323 0.000 2.448 1199 N HA 0.438 5.177 4.740 -0.002 0.000 0.250 1199 N C -1.328 173.904 175.510 -0.464 0.000 1.136 1199 N CA 0.213 53.104 53.050 -0.265 0.000 0.953 1199 N CB 0.107 38.475 38.487 -0.198 0.000 1.251 1199 N HN 0.367 nan 8.380 nan 0.000 0.502 1200 Y N -0.877 119.389 120.300 -0.057 0.000 2.364 1200 Y HA 0.354 4.903 4.550 -0.002 0.000 0.340 1200 Y C 1.645 177.441 175.900 -0.173 0.000 0.975 1200 Y CA -0.978 57.060 58.100 -0.103 0.000 1.089 1200 Y CB 1.765 40.147 38.460 -0.130 0.000 1.192 1200 Y HN 0.474 nan 8.280 nan 0.000 0.454 1201 G N 2.428 111.228 108.800 0.000 0.000 2.469 1201 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.220 1201 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.220 1201 G C 1.460 176.101 174.900 -0.432 0.000 1.136 1201 G CA 0.888 45.983 45.100 -0.008 0.000 0.759 1201 G HN 0.800 nan 8.290 nan 0.000 0.562 1202 I N 0.833 120.779 120.570 -1.040 0.000 2.756 1202 I HA 0.049 4.217 4.170 -0.002 0.000 0.262 1202 I C 2.195 177.909 176.117 -0.672 0.000 1.225 1202 I CA 0.944 61.422 61.300 -1.370 0.000 1.472 1202 I CB 0.069 37.251 38.000 -1.362 0.000 1.094 1202 I HN 0.186 nan 8.210 nan 0.000 0.454 1203 G N 0.864 109.413 108.800 -0.418 0.000 3.277 1203 G HA2 0.237 4.196 3.960 -0.002 0.000 0.243 1203 G HA3 0.237 4.196 3.960 -0.002 0.000 0.243 1203 G C 0.509 175.213 174.900 -0.327 0.000 1.107 1203 G CA -0.270 44.672 45.100 -0.264 0.000 0.771 1203 G HN 0.131 nan 8.290 nan 0.000 0.544 1204 I N 1.442 121.754 120.570 -0.429 0.000 2.342 1204 I HA 0.165 4.333 4.170 -0.002 0.000 0.291 1204 I C -0.304 175.516 176.117 -0.496 0.000 1.010 1204 I CA -0.770 60.367 61.300 -0.271 0.000 1.308 1204 I CB 0.113 38.044 38.000 -0.115 0.000 1.400 1204 I HN -0.537 nan 8.210 nan 0.000 0.488 1205 F N 5.242 125.215 119.950 0.038 0.000 2.639 1205 F HA 0.466 4.992 4.527 -0.002 0.000 0.339 1205 F C -1.210 174.640 175.800 0.082 0.000 1.071 1205 F CA -1.095 56.936 58.000 0.053 0.000 0.994 1205 F CB 2.444 41.449 39.000 0.008 0.000 1.341 1205 F HN -0.154 nan 8.300 nan 0.000 0.498 1206 S N 0.309 116.211 115.700 0.337 0.000 2.549 1206 S HA 0.254 5.044 4.470 0.199 -0.200 0.280 1206 S C -0.180 174.598 174.600 0.297 0.000 1.109 1206 S CA -0.607 57.746 58.200 0.255 0.000 0.905 1206 S CB 1.293 64.617 63.200 0.207 0.000 1.081 1206 S HN 0.573 9.030 8.310 0.411 0.099 0.477 1207 I N 4.722 125.415 120.570 0.205 0.000 2.498 1207 I HA 0.536 4.705 4.170 -0.002 0.000 0.290 1207 I C -1.798 174.416 176.117 0.163 0.000 1.032 1207 I CA -0.525 60.876 61.300 0.169 0.000 1.073 1207 I CB 1.424 39.437 38.000 0.022 0.000 1.251 1207 I HN 0.539 nan 8.210 nan 0.000 0.426 1208 K N 5.239 125.780 120.400 0.234 0.000 2.422 1208 K HA 0.425 4.744 4.320 -0.002 0.000 0.251 1208 K C -0.990 175.693 176.600 0.139 0.000 0.933 1208 K CA -1.050 55.349 56.287 0.187 0.000 0.798 1208 K CB 1.660 34.315 32.500 0.259 0.000 1.238 1208 K HN 0.482 nan 8.250 nan 0.000 0.428 1209 N N 2.154 120.894 118.700 0.067 0.000 2.415 1209 N HA 0.302 5.041 4.740 -0.002 0.000 0.248 1209 N C -0.325 175.203 175.510 0.029 0.000 1.271 1209 N CA 0.045 53.115 53.050 0.032 0.000 0.913 1209 N CB 0.405 38.895 38.487 0.004 0.000 1.129 1209 N HN 0.519 nan 8.380 nan 0.000 0.444 1210 I N -0.599 119.951 120.570 -0.034 0.000 2.802 1210 I HA 0.390 4.559 4.170 -0.002 0.000 0.298 1210 I C -0.845 175.205 176.117 -0.111 0.000 1.176 1210 I CA -0.517 60.732 61.300 -0.086 0.000 1.025 1210 I CB 0.632 38.491 38.000 -0.235 0.000 1.243 1210 I HN -0.223 nan 8.210 nan 0.000 0.424 1214 N N 5.068 123.768 118.700 0.001 0.000 2.402 1214 N HA 0.128 4.867 4.740 -0.002 0.000 0.259 1214 N C -0.319 175.139 175.510 -0.088 0.000 1.167 1214 N CA 0.285 53.317 53.050 -0.031 0.000 0.949 1214 N CB 0.539 39.025 38.487 -0.001 0.000 1.212 1214 N HN 0.199 nan 8.380 nan 0.000 0.493 1215 K N 0.405 120.742 120.400 -0.104 0.000 2.208 1215 K HA 0.460 4.779 4.320 -0.002 0.000 0.240 1215 K C -0.373 176.242 176.600 0.025 0.000 1.088 1215 K CA -0.714 55.531 56.287 -0.070 0.000 0.902 1215 K CB 0.639 33.121 32.500 -0.029 0.000 1.355 1215 K HN -0.068 nan 8.250 nan 0.000 0.526 1216 Y N -3.076 117.244 120.300 0.033 0.000 4.569 1216 Y HA -0.304 4.245 4.550 -0.001 0.000 0.237 1216 Y C -1.326 174.602 175.900 0.047 0.000 1.090 1216 Y CA -0.486 57.644 58.100 0.050 0.000 2.052 1216 Y CB -1.844 36.651 38.460 0.058 0.000 1.621 1216 Y HN 0.440 nan 8.280 nan 0.000 0.682 1217 C N -2.567 116.830 119.300 0.162 0.000 2.971 1217 C HA 0.498 5.236 4.460 0.233 -0.139 0.310 1217 C C -0.930 174.118 174.990 0.097 0.000 1.285 1217 C CA -1.494 57.604 59.018 0.133 0.000 1.593 1217 C CB 4.544 32.311 27.740 0.044 0.000 2.076 1217 C HN -0.502 7.741 8.230 0.094 0.044 0.472 1218 S N 0.273 116.095 115.700 0.203 0.000 2.618 1218 S HA 0.299 nan 4.470 nan 0.000 0.277 1218 S C -1.810 172.968 174.600 0.297 0.000 1.138 1218 S CA -0.336 57.990 58.200 0.211 0.000 0.844 1218 S CB 2.236 65.595 63.200 0.265 0.000 1.127 1218 S HN 0.460 8.924 8.310 0.296 0.024 0.474 1219 Q N 0.873 120.811 119.800 0.230 0.000 2.301 1219 Q HA 0.674 5.013 4.340 -0.002 0.000 0.267 1219 Q C -1.100 174.864 176.000 -0.061 0.000 1.035 1219 Q CA -0.578 55.305 55.803 0.134 0.000 0.856 1219 Q CB 1.870 30.640 28.738 0.055 0.000 1.337 1219 Q HN 0.532 nan 8.270 nan 0.000 0.450 1220 I N 1.541 121.895 120.570 -0.360 0.000 2.545 1220 I HA 0.502 4.671 4.170 -0.002 0.000 0.292 1220 I C -1.120 174.665 176.117 -0.553 0.000 1.040 1220 I CA -0.602 60.510 61.300 -0.314 0.000 1.068 1220 I CB 1.277 39.070 38.000 -0.345 0.000 1.251 1220 I HN 0.459 nan 8.210 nan 0.000 0.424 1221 F N 3.017 123.031 119.950 0.107 0.000 2.620 1221 F HA 0.381 4.907 4.527 -0.002 0.000 0.320 1221 F C 0.200 176.133 175.800 0.221 0.000 1.069 1221 F CA -0.723 57.340 58.000 0.106 0.000 0.953 1221 F CB 1.745 40.781 39.000 0.060 0.000 1.322 1221 F HN -0.042 nan 8.300 nan 0.000 0.479 1222 S N -0.035 115.883 115.700 0.363 0.000 2.549 1222 S HA 0.217 4.686 4.470 -0.002 0.000 0.280 1222 S C 0.011 174.711 174.600 0.167 0.000 1.109 1222 S CA -0.735 57.570 58.200 0.176 0.000 0.905 1222 S CB 1.009 64.230 63.200 0.035 0.000 1.081 1222 S HN 0.271 nan 8.310 nan 0.000 0.477 1223 S N 2.889 118.654 115.700 0.108 0.000 2.749 1223 S HA 0.308 4.777 4.470 -0.002 0.000 0.246 1223 S C -0.232 174.405 174.600 0.061 0.000 1.023 1223 S CA -0.434 57.822 58.200 0.092 0.000 1.012 1223 S CB -0.450 62.791 63.200 0.070 0.000 0.942 1223 S HN 0.638 nan 8.310 nan 0.000 0.531 1224 F N 4.174 124.068 119.950 -0.092 0.000 2.494 1224 F HA 0.402 4.928 4.527 -0.002 0.000 0.369 1224 F C 1.357 177.096 175.800 -0.102 0.000 1.098 1224 F CA -0.156 57.776 58.000 -0.113 0.000 1.154 1224 F CB -0.097 38.798 39.000 -0.175 0.000 1.103 1224 F HN 0.267 nan 8.300 nan 0.000 0.549 1225 R N 1.048 121.181 120.500 -0.612 0.000 2.299 1225 R HA -0.233 4.106 4.340 -0.002 0.000 0.153 1225 R C -0.371 175.821 176.300 -0.181 0.000 0.885 1225 R CA 1.944 57.764 56.100 -0.466 0.000 1.883 1225 R CB -1.094 28.863 30.300 -0.572 0.000 0.864 1225 R HN 0.558 nan 8.270 nan 0.000 0.666 1226 E N 0.909 121.053 120.200 -0.094 0.000 2.343 1226 E HA 0.338 4.687 4.350 -0.002 0.000 0.270 1226 E C -1.050 175.598 176.600 0.080 0.000 0.895 1226 E CA -0.826 55.587 56.400 0.020 0.000 0.767 1226 E CB 1.188 30.947 29.700 0.099 0.000 1.248 1226 E HN 0.106 nan 8.360 nan 0.000 0.440 1227 N N 1.539 120.322 118.700 0.138 0.000 2.422 1227 N HA 0.244 4.983 4.740 -0.002 0.000 0.264 1227 N C -0.364 175.399 175.510 0.423 0.000 1.063 1227 N CA 0.094 53.292 53.050 0.246 0.000 0.959 1227 N CB 1.081 39.702 38.487 0.223 0.000 1.087 1227 N HN 0.456 nan 8.380 nan 0.000 0.483 1228 T N 0.932 115.741 114.554 0.425 0.000 2.916 1228 T HA 0.301 4.650 4.350 -0.002 0.000 0.292 1228 T C -0.631 174.180 174.700 0.185 0.000 1.064 1228 T CA -0.775 61.571 62.100 0.411 0.000 1.011 1228 T CB 0.950 69.984 68.868 0.276 0.000 1.152 1228 T HN -0.136 nan 8.240 nan 0.000 0.510 1229 M N 1.478 121.006 119.600 -0.121 0.000 2.465 1229 M HA 0.463 4.942 4.480 -0.002 0.000 0.316 1229 M C -0.235 175.981 176.300 -0.139 0.000 1.121 1229 M CA -0.438 54.607 55.300 -0.424 0.000 0.934 1229 M CB 1.484 33.572 32.600 -0.854 0.000 1.692 1229 M HN -0.008 nan 8.290 nan 0.000 0.444 1230 L N 5.809 126.953 121.223 -0.131 0.000 2.367 1230 L HA 0.391 4.730 4.340 -0.002 0.000 0.275 1230 L C -0.774 176.294 176.870 0.330 0.000 1.129 1230 L CA -0.575 54.310 54.840 0.075 0.000 0.839 1230 L CB 0.338 42.316 42.059 -0.135 0.000 1.133 1230 L HN 0.675 nan 8.230 nan 0.000 0.453 1231 L N 2.012 123.440 121.223 0.342 0.000 2.502 1231 L HA 1.009 5.348 4.340 -0.002 0.000 0.253 1231 L C -0.857 176.176 176.870 0.271 0.000 1.070 1231 L CA -0.780 54.207 54.840 0.244 0.000 0.871 1231 L CB 1.813 43.929 42.059 0.095 0.000 1.487 1231 L HN 0.460 nan 8.230 nan 0.000 0.408 1232 A N 0.112 123.000 122.820 0.113 0.000 2.355 1232 A HA 0.902 5.221 4.320 -0.002 0.000 0.317 1232 A C -1.224 176.540 177.584 0.299 0.000 1.094 1232 A CA -0.131 52.034 52.037 0.215 0.000 0.764 1232 A CB 1.017 20.109 19.000 0.153 0.000 1.230 1232 A HN 0.827 nan 8.150 nan 0.000 0.448 1233 D N 0.550 121.133 120.400 0.305 0.000 2.779 1233 D HA 0.344 4.983 4.640 -0.002 0.000 0.331 1233 D C -1.197 175.107 176.300 0.006 0.000 1.331 1233 D CA -0.326 53.782 54.000 0.181 0.000 0.866 1233 D CB 1.103 41.911 40.800 0.014 0.000 1.409 1233 D HN 0.420 nan 8.370 nan 0.000 0.486 1234 I N 1.931 122.362 120.570 -0.231 0.000 2.371 1234 I HA 0.293 4.462 4.170 -0.002 0.000 0.290 1234 I C -0.599 175.198 176.117 -0.534 0.000 1.028 1234 I CA -0.136 60.969 61.300 -0.326 0.000 1.345 1234 I CB 0.461 38.280 38.000 -0.300 0.000 1.407 1234 I HN 0.232 nan 8.210 nan 0.000 0.501 1235 Y N 4.059 124.287 120.300 -0.120 0.000 2.677 1235 Y HA 0.413 4.962 4.550 -0.002 0.000 0.334 1235 Y C -0.460 175.379 175.900 -0.101 0.000 1.154 1235 Y CA -1.188 56.853 58.100 -0.098 0.000 1.070 1235 Y CB 1.524 39.897 38.460 -0.146 0.000 1.294 1235 Y HN 0.276 nan 8.280 nan 0.000 0.475 1236 K N 2.755 123.234 120.400 0.132 0.000 2.423 1236 K HA 0.282 4.601 4.320 -0.002 0.000 0.234 1236 K C -2.384 174.204 176.600 -0.021 0.000 1.051 1236 K CA -1.496 54.856 56.287 0.108 0.000 1.021 1236 K CB 1.266 33.886 32.500 0.201 0.000 1.474 1236 K HN 0.295 nan 8.250 nan 0.000 0.474 1237 P HA -0.014 nan 4.420 nan 0.000 0.257 1237 P C -0.568 176.503 177.300 -0.381 0.000 1.241 1237 P CA 0.056 62.908 63.100 -0.415 0.000 0.816 1237 P CB 0.399 31.700 31.700 -0.665 0.000 1.150 1238 W N 1.500 122.796 121.300 -0.006 0.000 2.361 1238 W HA 0.293 4.952 4.660 -0.001 0.000 0.309 1238 W C 1.359 177.864 176.519 -0.024 0.000 1.122 1238 W CA -0.641 56.707 57.345 0.004 0.000 1.208 1238 W CB 0.949 30.425 29.460 0.027 0.000 1.246 1238 W HN -0.059 nan 8.180 nan 0.000 0.490 1239 R N 1.672 122.251 120.500 0.131 0.000 2.091 1239 R HA -0.158 4.181 4.340 -0.002 0.000 0.238 1239 R C 0.796 176.906 176.300 -0.317 0.000 1.136 1239 R CA 1.281 57.286 56.100 -0.159 0.000 0.959 1239 R CB -0.326 29.771 30.300 -0.338 0.000 0.856 1239 R HN 0.331 nan 8.270 nan 0.000 0.437 1240 F N 0.244 120.228 119.950 0.057 0.000 2.916 1240 F HA 0.281 4.807 4.527 -0.002 0.000 0.294 1240 F C 0.402 176.125 175.800 -0.128 0.000 1.189 1240 F CA -0.251 57.721 58.000 -0.048 0.000 1.369 1240 F CB 0.522 39.497 39.000 -0.043 0.000 0.961 1240 F HN -0.179 nan 8.300 nan 0.000 0.508 1241 S N -0.908 114.780 115.700 -0.019 0.000 2.567 1241 S HA 0.461 4.930 4.470 -0.002 0.000 0.270 1241 S C -0.684 173.929 174.600 0.021 0.000 1.152 1241 S CA -0.438 57.710 58.200 -0.086 0.000 0.835 1241 S CB 0.518 63.721 63.200 0.006 0.000 1.115 1241 S HN -0.019 nan 8.310 nan 0.000 0.459 1242 F N 1.644 121.659 119.950 0.108 0.000 2.639 1242 F HA 0.478 5.004 4.527 -0.002 0.000 0.302 1242 F C 1.037 176.908 175.800 0.119 0.000 1.097 1242 F CA -0.564 57.499 58.000 0.105 0.000 1.294 1242 F CB -0.097 38.943 39.000 0.067 0.000 1.027 1242 F HN 0.433 nan 8.300 nan 0.000 0.550 1243 K N 1.580 122.161 120.400 0.302 0.000 2.448 1243 K HA 0.046 4.365 4.320 -0.002 0.000 0.278 1243 K C 0.412 177.218 176.600 0.343 0.000 1.009 1243 K CA -0.062 56.378 56.287 0.255 0.000 0.995 1243 K CB 0.386 32.963 32.500 0.127 0.000 0.917 1243 K HN 0.043 nan 8.250 nan 0.000 0.481 1244 N N 1.187 120.006 118.700 0.198 0.000 2.483 1244 N HA 0.452 5.191 4.740 -0.002 0.000 0.269 1244 N C -0.971 174.598 175.510 0.097 0.000 1.209 1244 N CA -0.194 52.913 53.050 0.096 0.000 0.969 1244 N CB 1.643 40.109 38.487 -0.035 0.000 1.173 1244 N HN 0.626 nan 8.380 nan 0.000 0.475 1245 A N 0.712 123.485 122.820 -0.077 0.000 2.594 1245 A HA 0.393 4.712 4.320 -0.002 0.000 0.296 1245 A C -1.807 175.608 177.584 -0.282 0.000 1.061 1245 A CA -0.689 51.260 52.037 -0.147 0.000 0.689 1245 A CB 0.438 19.377 19.000 -0.102 0.000 1.280 1245 A HN 0.497 nan 8.150 nan 0.000 0.406 1246 Y N 1.419 121.631 120.300 -0.147 0.000 2.587 1246 Y HA 0.408 4.957 4.550 -0.002 0.000 0.344 1246 Y C 0.799 176.582 175.900 -0.195 0.000 1.061 1246 Y CA 0.755 58.689 58.100 -0.278 0.000 1.370 1246 Y CB 0.674 38.821 38.460 -0.522 0.000 1.163 1246 Y HN 0.488 nan 8.280 nan 0.000 0.527 1247 T N 6.623 121.203 114.554 0.043 0.000 2.812 1247 T HA 0.332 4.681 4.350 -0.002 0.000 0.282 1247 T C -2.839 171.917 174.700 0.094 0.000 0.990 1247 T CA -1.974 60.136 62.100 0.017 0.000 0.960 1247 T CB 1.614 70.465 68.868 -0.028 0.000 0.948 1247 T HN 0.184 nan 8.240 nan 0.000 0.438 1248 P HA 0.352 nan 4.420 nan 0.000 0.276 1248 P C -0.667 176.656 177.300 0.038 0.000 1.243 1248 P CA -0.390 62.814 63.100 0.173 0.000 0.768 1248 P CB 0.608 32.393 31.700 0.143 0.000 0.856 1249 V N 0.087 120.036 119.914 0.060 0.000 3.078 1249 V HA 0.922 5.041 4.120 -0.002 0.000 0.311 1249 V C -0.721 175.400 176.094 0.045 0.000 1.138 1249 V CA -1.664 60.605 62.300 -0.051 0.000 1.007 1249 V CB 1.903 33.546 31.823 -0.300 0.000 1.045 1249 V HN 0.516 nan 8.190 nan 0.000 0.432 1250 A N 2.710 125.583 122.820 0.089 0.000 2.258 1250 A HA 0.822 5.141 4.320 -0.002 0.000 0.316 1250 A C -0.164 177.562 177.584 0.236 0.000 1.279 1250 A CA -0.196 51.940 52.037 0.166 0.000 0.876 1250 A CB 0.753 19.873 19.000 0.200 0.000 1.170 1250 A HN 2.175 nan 8.150 nan 0.000 0.520 1251 V N 1.611 121.653 119.914 0.213 0.000 2.581 1251 V HA 0.861 4.980 4.120 -0.002 0.000 0.303 1251 V C 0.280 176.596 176.094 0.370 0.000 1.041 1251 V CA -0.013 62.434 62.300 0.244 0.000 0.907 1251 V CB 0.961 32.908 31.823 0.206 0.000 0.994 1251 V HN 0.993 nan 8.190 nan 0.000 0.442 1252 T N 0.982 115.733 114.554 0.329 0.000 2.824 1252 T HA 0.416 4.765 4.350 -0.002 0.000 0.277 1252 T C 0.352 175.186 174.700 0.224 0.000 0.975 1252 T CA 0.205 62.497 62.100 0.320 0.000 0.966 1252 T CB 0.063 69.062 68.868 0.218 0.000 1.054 1252 T HN 1.229 nan 8.240 nan 0.000 0.533 1253 N N 0.006 118.727 118.700 0.035 0.000 2.714 1253 N HA -0.204 4.535 4.740 -0.002 0.000 0.253 1253 N C -0.193 175.332 175.510 0.025 0.000 1.024 1253 N CA 0.854 53.879 53.050 -0.042 0.000 0.726 1253 N CB -1.667 36.836 38.487 0.027 0.000 0.908 1253 N HN 0.832 nan 8.380 nan 0.000 0.542 1254 Y N -2.428 117.951 120.300 0.132 0.000 2.524 1254 Y HA 0.445 4.994 4.550 -0.002 0.000 0.266 1254 Y C 1.339 177.320 175.900 0.136 0.000 1.180 1254 Y CA -0.666 57.518 58.100 0.141 0.000 1.244 1254 Y CB 0.135 38.706 38.460 0.185 0.000 1.125 1254 Y HN -0.019 nan 8.280 nan 0.000 0.524 1255 E N 1.185 121.400 120.200 0.025 0.000 2.118 1255 E HA -0.176 4.173 4.350 -0.002 0.000 0.195 1255 E C 2.056 178.740 176.600 0.141 0.000 0.992 1255 E CA 2.332 58.785 56.400 0.088 0.000 0.804 1255 E CB -0.438 29.253 29.700 -0.014 0.000 0.741 1255 E HN 0.618 nan 8.360 nan 0.000 0.458 1256 T N -1.815 112.806 114.554 0.111 0.000 3.160 1256 T HA 0.086 4.435 4.350 -0.002 0.000 0.257 1256 T C 1.287 176.051 174.700 0.106 0.000 1.147 1256 T CA 0.292 62.447 62.100 0.093 0.000 1.064 1256 T CB 0.144 69.050 68.868 0.063 0.000 0.949 1256 T HN -0.132 nan 8.240 nan 0.000 0.526 1257 K N 0.405 120.900 120.400 0.158 0.000 2.374 1257 K HA 0.405 4.723 4.320 -0.002 0.000 0.202 1257 K C 1.593 178.278 176.600 0.142 0.000 1.040 1257 K CA -0.113 56.249 56.287 0.125 0.000 1.085 1257 K CB 0.081 32.667 32.500 0.143 0.000 0.873 1257 K HN 0.383 nan 8.250 nan 0.000 0.539 1258 L N 0.198 121.553 121.223 0.219 0.000 2.353 1258 L HA -0.045 4.294 4.340 -0.002 0.000 0.220 1258 L C 1.041 178.069 176.870 0.264 0.000 1.133 1258 L CA 0.762 55.766 54.840 0.274 0.000 0.798 1258 L CB 0.400 42.636 42.059 0.295 0.000 0.922 1258 L HN -0.384 nan 8.230 nan 0.000 0.445 1259 L N 0.117 121.444 121.223 0.173 0.000 3.069 1259 L HA 0.161 4.500 4.340 -0.002 0.000 0.271 1259 L C 0.431 177.285 176.870 -0.027 0.000 1.201 1259 L CA -0.420 54.537 54.840 0.195 0.000 1.015 1259 L CB 0.519 42.673 42.059 0.159 0.000 1.371 1259 L HN -0.276 nan 8.230 nan 0.000 0.574 1260 S N -0.371 115.227 115.700 -0.170 0.000 2.528 1260 S HA 0.058 4.527 4.470 -0.002 0.000 0.277 1260 S C 1.608 175.699 174.600 -0.849 0.000 1.297 1260 S CA 0.027 58.023 58.200 -0.341 0.000 1.052 1260 S CB 0.893 63.974 63.200 -0.198 0.000 0.917 1260 S HN 0.434 nan 8.310 nan 0.000 0.492 1261 T N 1.794 115.855 114.554 -0.822 0.000 2.977 1261 T HA -0.121 4.228 4.350 -0.002 0.000 0.271 1261 T C 1.855 176.075 174.700 -0.799 0.000 1.105 1261 T CA 1.201 62.665 62.100 -1.061 0.000 1.116 1261 T CB -0.716 67.860 68.868 -0.487 0.000 0.878 1261 T HN 0.742 nan 8.240 nan 0.000 0.509 1262 S N 1.873 117.233 115.700 -0.566 0.000 2.507 1262 S HA -0.052 4.417 4.470 -0.002 0.000 0.235 1262 S C 1.993 176.318 174.600 -0.458 0.000 0.988 1262 S CA 0.749 58.697 58.200 -0.418 0.000 0.944 1262 S CB -0.673 62.399 63.200 -0.214 0.000 0.762 1262 S HN 0.735 nan 8.310 nan 0.000 0.526 1263 S N -0.302 115.090 115.700 -0.513 0.000 2.540 1263 S HA 0.402 4.871 4.470 -0.002 0.000 0.218 1263 S C -0.168 174.360 174.600 -0.121 0.000 0.977 1263 S CA -0.824 57.212 58.200 -0.274 0.000 0.918 1263 S CB -0.368 62.771 63.200 -0.101 0.000 0.806 1263 S HN 0.282 nan 8.310 nan 0.000 0.496 1264 F N 1.850 121.555 119.950 -0.409 0.000 2.404 1264 F HA 0.640 5.166 4.527 -0.002 0.000 0.345 1264 F C -0.265 175.216 175.800 -0.532 0.000 1.110 1264 F CA -2.418 55.407 58.000 -0.293 0.000 1.130 1264 F CB -0.024 38.880 39.000 -0.160 0.000 1.129 1264 F HN 0.184 nan 8.300 nan 0.000 0.500 1265 W N 2.667 124.038 121.300 0.118 0.000 2.736 1265 W HA 0.345 5.005 4.660 -0.002 0.000 0.335 1265 W C -0.034 176.437 176.519 -0.080 0.000 1.059 1265 W CA -0.795 56.506 57.345 -0.073 0.000 1.226 1265 W CB 1.423 30.747 29.460 -0.227 0.000 1.416 1265 W HN 0.254 nan 8.180 nan 0.000 0.505 1266 K N 2.020 122.440 120.400 0.034 0.000 2.267 1266 K HA 0.577 4.896 4.320 -0.002 0.000 0.246 1266 K C -1.026 175.465 176.600 -0.182 0.000 0.954 1266 K CA -0.840 55.498 56.287 0.085 0.000 0.824 1266 K CB 1.487 34.102 32.500 0.192 0.000 1.167 1266 K HN -0.023 nan 8.250 nan 0.000 0.431 1267 F N 2.621 122.583 119.950 0.019 0.000 2.430 1267 F HA 0.392 4.918 4.527 -0.002 0.000 0.362 1267 F C 0.022 175.884 175.800 0.104 0.000 1.103 1267 F CA -0.766 57.207 58.000 -0.046 0.000 1.045 1267 F CB 0.497 39.194 39.000 -0.506 0.000 1.276 1267 F HN 0.189 nan 8.300 nan 0.000 0.444 1268 I N 3.472 124.189 120.570 0.244 0.000 2.308 1268 I HA 0.179 4.348 4.170 -0.002 0.000 0.293 1268 I C 0.353 176.780 176.117 0.517 0.000 1.078 1268 I CA -0.230 61.160 61.300 0.150 0.000 1.292 1268 I CB 0.368 38.294 38.000 -0.124 0.000 1.423 1268 I HN 0.538 nan 8.210 nan 0.000 0.493 1269 S N 6.241 122.311 115.700 0.616 0.000 2.585 1269 S HA 0.470 4.939 4.470 -0.002 0.000 0.277 1269 S C 0.082 174.951 174.600 0.448 0.000 1.241 1269 S CA -1.048 57.400 58.200 0.412 0.000 1.041 1269 S CB 1.411 64.816 63.200 0.341 0.000 0.987 1269 S HN 0.519 nan 8.310 nan 0.000 0.512 1270 R N 1.967 122.472 120.500 0.008 0.000 2.404 1270 R HA 0.175 4.514 4.340 -0.002 0.000 0.315 1270 R C -0.443 175.872 176.300 0.026 0.000 1.032 1270 R CA 0.195 56.131 56.100 -0.273 0.000 0.992 1270 R CB 0.082 30.153 30.300 -0.382 0.000 0.959 1270 R HN 0.699 nan 8.270 nan 0.000 0.428 1271 D N 3.990 124.471 120.400 0.136 0.000 2.457 1271 D HA 0.218 4.857 4.640 -0.002 0.000 0.240 1271 D C -1.807 174.503 176.300 0.017 0.000 1.041 1271 D CA -2.185 51.788 54.000 -0.045 0.000 0.861 1271 D CB 2.363 42.849 40.800 -0.523 0.000 1.394 1271 D HN 0.151 nan 8.370 nan 0.000 0.473 1272 P HA 0.013 nan 4.420 nan 0.000 0.222 1272 P C 1.074 178.506 177.300 0.220 0.000 1.147 1272 P CA 0.633 63.836 63.100 0.171 0.000 0.790 1272 P CB 0.152 32.023 31.700 0.285 0.000 0.780 1273 G N -2.698 106.220 108.800 0.197 0.000 3.088 1273 G HA2 -0.049 3.910 3.960 -0.002 0.000 0.212 1273 G HA3 -0.049 3.910 3.960 -0.002 0.000 0.212 1273 G C -0.377 174.591 174.900 0.113 0.000 1.173 1273 G CA -0.153 45.088 45.100 0.236 0.000 0.779 1273 G HN 0.239 nan 8.290 nan 0.000 0.540 1274 W N 1.142 122.373 121.300 -0.115 0.000 2.604 1274 W HA 0.518 5.177 4.660 -0.002 0.000 0.302 1274 W C -1.851 174.746 176.519 0.130 0.000 1.013 1274 W CA -0.833 56.484 57.345 -0.047 0.000 1.338 1274 W CB 1.312 30.656 29.460 -0.194 0.000 1.233 1274 W HN -0.245 nan 8.180 nan 0.000 0.390 1275 V N 4.865 124.812 119.914 0.056 0.000 2.435 1275 V HA 0.381 4.500 4.120 -0.002 0.000 0.290 1275 V C -0.173 175.957 176.094 0.060 0.000 1.030 1275 V CA -0.394 61.993 62.300 0.146 0.000 0.881 1275 V CB 1.998 33.858 31.823 0.062 0.000 0.983 1275 V HN 0.365 nan 8.190 nan 0.000 0.445 1276 E N 4.800 125.127 120.200 0.212 0.000 2.222 1276 E HA 0.502 4.851 4.350 -0.002 0.000 0.267 1276 E C -2.406 174.271 176.600 0.127 0.000 0.884 1276 E CA -1.786 54.706 56.400 0.154 0.000 0.764 1276 E CB 2.074 31.923 29.700 0.248 0.000 1.169 1276 E HN 0.567 nan 8.360 nan 0.000 0.413 1277 P HA 0.096 nan 4.420 nan 0.000 0.267 1277 P C -2.329 175.015 177.300 0.073 0.000 1.200 1277 P CA -0.795 62.341 63.100 0.060 0.000 0.772 1277 P CB -0.251 31.474 31.700 0.040 0.000 0.855 1278 P HA 0.000 nan 4.420 nan 0.000 0.216 1278 P CA 0.000 63.135 63.100 0.058 0.000 0.800 1278 P CB 0.000 31.728 31.700 0.047 0.000 0.726