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 3pme_1_A DATA FIRST_RESID 868 DATA SEQUENCE INDSKILSLQ NKKNALVDTS GYNAEVRLEG DVQVNTIYTN DFKLSSSGDK DATA SEQUENCE IIVNLNNNIL YSAIYENSSV SFWIKISKDL TNSHNEYTII NSIKQNSGWK DATA SEQUENCE LCIRNGNIEW ILQDINRKYK SLIFDYSESL SHTGYTNKWF FVTITNNIMG DATA SEQUENCE YMKLYINGEL KQSERIEDLD EVKLDKTIVF GIDENIDENQ MLWIRDFNIF DATA SEQUENCE SKELSNEDIN IVYEGQILRN VIKDYWGNPL KFDTEYYMIN YNYIDRYIAP DATA SEQUENCE KNNILVLVQY SDISKLYTKN PITIKSAANK NPYSRILNGD DIMFHMLYDS DATA SEQUENCE REYMIIRDTD TIYATQGGQc SKNcVYALKL QSNLGNYGIG IFSIKNIVSQ DATA SEQUENCE XXYCSQIFSS FMKNTMLLAD IYKPWRFSFE NAYTPVAVTN YETKLLSTSS DATA SEQUENCE FWKFISRDPG WVEHHHH 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 868 I HA 0.000 nan 4.170 nan 0.000 0.288 868 I C 0.000 176.239 176.117 0.203 0.000 1.063 868 I CA 0.000 61.340 61.300 0.067 0.000 1.566 868 I CB 0.000 38.008 38.000 0.014 0.000 1.214 869 N N 1.795 120.605 118.700 0.184 0.000 2.348 869 N HA -0.147 4.594 4.740 0.003 0.000 0.185 869 N C 1.046 176.651 175.510 0.159 0.000 1.019 869 N CA 1.394 54.560 53.050 0.194 0.000 0.880 869 N CB -0.264 38.296 38.487 0.122 0.000 0.965 869 N HN 0.380 nan 8.380 nan 0.000 0.437 870 D N -0.404 120.077 120.400 0.135 0.000 2.263 870 D HA -0.059 4.583 4.640 0.003 0.000 0.208 870 D C 1.320 177.712 176.300 0.153 0.000 0.971 870 D CA 0.833 54.904 54.000 0.118 0.000 0.867 870 D CB -0.072 40.779 40.800 0.086 0.000 0.929 870 D HN 0.360 nan 8.370 nan 0.000 0.492 871 S N -0.883 114.936 115.700 0.197 0.000 2.557 871 S HA 0.094 4.566 4.470 0.003 0.000 0.223 871 S C 0.706 175.426 174.600 0.200 0.000 0.969 871 S CA -0.516 57.809 58.200 0.208 0.000 0.927 871 S CB 0.373 63.701 63.200 0.212 0.000 0.806 871 S HN -0.062 nan 8.310 nan 0.000 0.489 872 K N 1.870 122.349 120.400 0.131 0.000 2.378 872 K HA 0.246 4.568 4.320 0.003 0.000 0.288 872 K C 0.609 177.208 176.600 -0.001 0.000 1.057 872 K CA -0.286 55.907 56.287 -0.157 0.000 0.971 872 K CB 0.280 32.660 32.500 -0.200 0.000 0.975 872 K HN 0.430 nan 8.250 nan 0.000 0.475 873 I N 2.468 122.965 120.570 -0.121 0.000 4.057 873 I HA 0.281 4.453 4.170 0.003 0.000 0.334 873 I C -0.719 175.361 176.117 -0.062 0.000 1.308 873 I CA -0.163 61.025 61.300 -0.187 0.000 1.125 873 I CB 0.442 38.214 38.000 -0.380 0.000 1.034 873 I HN 0.334 nan 8.210 nan 0.000 0.401 874 L N -0.028 121.169 121.223 -0.043 0.000 2.526 874 L HA 0.741 5.083 4.340 0.003 0.000 0.263 874 L C -1.199 175.684 176.870 0.021 0.000 0.943 874 L CA -0.336 54.539 54.840 0.059 0.000 0.859 874 L CB 2.113 44.259 42.059 0.144 0.000 1.313 874 L HN -0.020 nan 8.230 nan 0.000 0.406 875 S N 5.376 121.127 115.700 0.085 0.000 2.673 875 S HA 0.584 5.056 4.470 0.003 0.000 0.256 875 S C -1.168 173.513 174.600 0.136 0.000 1.141 875 S CA -0.518 57.731 58.200 0.082 0.000 1.109 875 S CB 0.340 63.559 63.200 0.031 0.000 1.101 875 S HN 0.616 nan 8.310 nan 0.000 0.471 876 L N 4.946 126.295 121.223 0.209 0.000 2.325 876 L HA 0.465 4.807 4.340 0.003 0.000 0.284 876 L C 0.346 177.313 176.870 0.161 0.000 1.089 876 L CA 0.013 54.954 54.840 0.167 0.000 0.836 876 L CB 0.579 42.736 42.059 0.164 0.000 1.184 876 L HN 0.580 nan 8.230 nan 0.000 0.444 877 Q N 2.410 122.275 119.800 0.108 0.000 2.421 877 Q HA 0.313 4.655 4.340 0.003 0.000 0.280 877 Q C -0.884 175.160 176.000 0.075 0.000 1.085 877 Q CA -0.958 54.904 55.803 0.099 0.000 0.807 877 Q CB 2.867 31.652 28.738 0.080 0.000 1.405 877 Q HN 0.429 nan 8.270 nan 0.000 0.419 878 N N 2.225 120.970 118.700 0.075 0.000 2.406 878 N HA 0.114 4.856 4.740 0.003 0.000 0.251 878 N C -1.366 174.169 175.510 0.042 0.000 1.069 878 N CA 0.086 53.171 53.050 0.059 0.000 0.947 878 N CB 0.531 39.060 38.487 0.070 0.000 1.111 878 N HN 0.296 nan 8.380 nan 0.000 0.497 879 K N 2.815 123.235 120.400 0.032 0.000 2.345 879 K HA 0.223 4.545 4.320 0.003 0.000 0.255 879 K C -0.035 176.576 176.600 0.019 0.000 0.934 879 K CA -0.538 55.764 56.287 0.024 0.000 0.801 879 K CB 1.425 33.939 32.500 0.023 0.000 1.137 879 K HN 0.472 nan 8.250 nan 0.000 0.424 880 K N 2.268 122.677 120.400 0.015 0.000 3.156 880 K HA -0.262 4.060 4.320 0.003 0.000 0.266 880 K C -0.582 176.025 176.600 0.013 0.000 0.966 880 K CA 0.461 56.755 56.287 0.012 0.000 0.719 880 K CB -1.085 31.420 32.500 0.009 0.000 1.333 880 K HN 0.761 nan 8.250 nan 0.000 0.468 881 N N -2.609 116.101 118.700 0.017 0.000 2.741 881 N HA -0.217 4.524 4.740 0.003 0.000 0.250 881 N C -0.651 174.869 175.510 0.017 0.000 1.115 881 N CA 1.532 54.593 53.050 0.018 0.000 0.724 881 N CB -0.804 37.691 38.487 0.013 0.000 1.090 881 N HN 0.707 nan 8.380 nan 0.000 0.558 882 A N -0.466 122.364 122.820 0.017 0.000 2.449 882 A HA 0.714 5.035 4.320 0.003 0.000 0.302 882 A C -0.697 176.894 177.584 0.012 0.000 1.048 882 A CA -0.692 51.350 52.037 0.010 0.000 0.708 882 A CB 1.360 20.362 19.000 0.003 0.000 1.274 882 A HN 0.159 nan 8.150 nan 0.000 0.410 883 L N 3.125 124.347 121.223 -0.002 0.000 2.315 883 L HA 0.593 4.935 4.340 0.003 0.000 0.283 883 L C -0.026 176.830 176.870 -0.024 0.000 1.089 883 L CA 0.342 55.175 54.840 -0.011 0.000 0.833 883 L CB 0.725 42.749 42.059 -0.059 0.000 1.170 883 L HN 0.982 nan 8.230 nan 0.000 0.442 884 V N 1.318 121.234 119.914 0.004 0.000 3.160 884 V HA 0.640 4.762 4.120 0.003 0.000 0.310 884 V C -1.007 175.108 176.094 0.035 0.000 1.181 884 V CA -1.013 61.294 62.300 0.012 0.000 1.047 884 V CB 1.952 33.785 31.823 0.017 0.000 1.068 884 V HN 0.661 nan 8.190 nan 0.000 0.441 885 D N 1.460 121.888 120.400 0.047 0.000 2.313 885 D HA 0.455 5.096 4.640 0.003 0.000 0.239 885 D C 0.987 177.327 176.300 0.066 0.000 1.142 885 D CA 0.532 54.576 54.000 0.074 0.000 0.847 885 D CB 1.636 42.492 40.800 0.094 0.000 1.082 885 D HN 0.984 nan 8.370 nan 0.000 0.480 886 T N -0.344 114.250 114.554 0.066 0.000 3.145 886 T HA 0.035 4.386 4.350 0.003 0.000 0.255 886 T C 1.532 176.261 174.700 0.049 0.000 1.039 886 T CA 0.246 62.375 62.100 0.049 0.000 0.928 886 T CB -0.276 68.618 68.868 0.044 0.000 1.029 886 T HN 0.245 nan 8.240 nan 0.000 0.554 887 S N 0.848 116.597 115.700 0.082 0.000 2.453 887 S HA 0.314 4.785 4.470 0.003 0.000 0.231 887 S C 2.113 176.735 174.600 0.037 0.000 1.005 887 S CA 0.761 59.029 58.200 0.113 0.000 0.949 887 S CB -0.738 62.601 63.200 0.232 0.000 0.774 887 S HN 1.246 nan 8.310 nan 0.000 0.510 888 G N -0.131 108.655 108.800 -0.023 0.000 2.218 888 G HA2 -0.245 3.717 3.960 0.003 0.000 0.216 888 G HA3 -0.245 3.717 3.960 0.003 0.000 0.216 888 G C 0.384 175.124 174.900 -0.266 0.000 0.994 888 G CA 0.185 45.176 45.100 -0.181 0.000 0.637 888 G HN 0.566 nan 8.290 nan 0.000 0.505 889 Y N 0.683 120.999 120.300 0.027 0.000 2.457 889 Y HA 0.327 4.879 4.550 0.003 0.000 0.263 889 Y C 1.323 177.243 175.900 0.034 0.000 1.164 889 Y CA 0.109 58.230 58.100 0.034 0.000 1.274 889 Y CB 0.004 38.488 38.460 0.039 0.000 1.097 889 Y HN 0.327 nan 8.280 nan 0.000 0.523 890 N N 0.087 118.866 118.700 0.132 0.000 2.714 890 N HA -0.201 4.540 4.740 0.003 0.000 0.252 890 N C -0.145 175.422 175.510 0.095 0.000 1.014 890 N CA 0.188 53.291 53.050 0.088 0.000 0.735 890 N CB -0.731 37.789 38.487 0.055 0.000 0.924 890 N HN 0.381 nan 8.380 nan 0.000 0.540 891 A N 0.442 123.329 122.820 0.112 0.000 2.466 891 A HA 0.105 4.427 4.320 0.003 0.000 0.238 891 A C 0.734 178.355 177.584 0.062 0.000 1.074 891 A CA -0.007 52.085 52.037 0.092 0.000 0.774 891 A CB 0.346 19.409 19.000 0.105 0.000 1.015 891 A HN 0.454 nan 8.150 nan 0.000 0.498 892 E N 1.096 121.325 120.200 0.048 0.000 2.316 892 E HA 0.400 4.752 4.350 0.003 0.000 0.275 892 E C -1.311 175.300 176.600 0.018 0.000 1.029 892 E CA -0.262 56.154 56.400 0.028 0.000 0.871 892 E CB 0.554 30.266 29.700 0.021 0.000 1.022 892 E HN 0.323 nan 8.360 nan 0.000 0.418 893 V N 6.390 126.304 119.914 0.000 0.000 2.349 893 V HA 0.344 4.466 4.120 0.003 0.000 0.284 893 V C -0.095 175.973 176.094 -0.042 0.000 1.014 893 V CA -0.647 61.636 62.300 -0.028 0.000 0.826 893 V CB 1.203 32.998 31.823 -0.045 0.000 1.009 893 V HN 0.632 nan 8.190 nan 0.000 0.431 894 R N 4.235 124.708 120.500 -0.045 0.000 2.445 894 R HA 0.722 5.063 4.340 0.003 0.000 0.308 894 R C -1.665 174.595 176.300 -0.066 0.000 0.961 894 R CA -0.773 55.299 56.100 -0.046 0.000 0.862 894 R CB 1.453 31.735 30.300 -0.030 0.000 1.144 894 R HN 0.554 nan 8.270 nan 0.000 0.447 895 L N 3.681 124.864 121.223 -0.066 0.000 2.272 895 L HA 0.388 4.729 4.340 0.003 0.000 0.289 895 L C -0.149 176.691 176.870 -0.050 0.000 1.032 895 L CA 0.049 54.844 54.840 -0.075 0.000 0.810 895 L CB 1.669 43.679 42.059 -0.082 0.000 1.205 895 L HN 0.617 nan 8.230 nan 0.000 0.422 896 E N 1.515 121.687 120.200 -0.047 0.000 2.212 896 E HA 0.706 5.057 4.350 0.003 0.000 0.270 896 E C 0.392 176.974 176.600 -0.030 0.000 0.956 896 E CA -0.208 56.172 56.400 -0.033 0.000 0.825 896 E CB 1.670 31.352 29.700 -0.030 0.000 1.167 896 E HN 0.718 nan 8.360 nan 0.000 0.400 897 G N 2.332 111.119 108.800 -0.023 0.000 2.552 897 G HA2 -0.250 3.711 3.960 0.003 0.000 0.265 897 G HA3 -0.250 3.711 3.960 0.003 0.000 0.265 897 G C -0.643 174.246 174.900 -0.019 0.000 1.234 897 G CA -0.051 45.038 45.100 -0.019 0.000 0.944 897 G HN 0.653 nan 8.290 nan 0.000 0.568 898 D N 0.660 121.050 120.400 -0.017 0.000 3.018 898 D HA 0.384 5.025 4.640 0.003 0.000 0.331 898 D C 0.389 176.683 176.300 -0.010 0.000 1.334 898 D CA -0.201 53.792 54.000 -0.013 0.000 0.900 898 D CB 0.866 41.660 40.800 -0.010 0.000 1.059 898 D HN 0.409 nan 8.370 nan 0.000 0.498 899 V N 1.568 121.474 119.914 -0.013 0.000 2.450 899 V HA -0.040 4.081 4.120 0.003 0.000 0.281 899 V C 0.850 176.959 176.094 0.025 0.000 1.019 899 V CA 0.031 62.332 62.300 0.001 0.000 1.062 899 V CB 0.368 32.177 31.823 -0.024 0.000 0.979 899 V HN 0.152 nan 8.190 nan 0.000 0.477 900 Q N 3.570 123.397 119.800 0.044 0.000 2.286 900 Q HA 0.543 4.884 4.340 0.003 0.000 0.257 900 Q C -0.317 175.764 176.000 0.135 0.000 0.941 900 Q CA -0.374 55.473 55.803 0.073 0.000 0.912 900 Q CB 1.864 30.645 28.738 0.072 0.000 1.192 900 Q HN 0.781 nan 8.270 nan 0.000 0.410 901 V N -0.124 119.868 119.914 0.130 0.000 2.864 901 V HA 0.529 4.651 4.120 0.003 0.000 0.314 901 V C -0.021 176.167 176.094 0.157 0.000 1.073 901 V CA -1.073 61.332 62.300 0.174 0.000 0.956 901 V CB 1.892 33.792 31.823 0.129 0.000 1.023 901 V HN 0.926 nan 8.190 nan 0.000 0.435 902 N N 1.565 120.375 118.700 0.184 0.000 2.696 902 N HA -0.186 4.556 4.740 0.003 0.000 0.256 902 N C 0.777 176.362 175.510 0.126 0.000 1.031 902 N CA 1.468 54.603 53.050 0.141 0.000 0.730 902 N CB -0.952 37.591 38.487 0.094 0.000 0.894 902 N HN 1.408 nan 8.380 nan 0.000 0.544 903 T N -3.060 111.602 114.554 0.181 0.000 3.034 903 T HA 0.298 4.649 4.350 0.003 0.000 0.248 903 T C 1.820 176.582 174.700 0.104 0.000 1.040 903 T CA 0.839 63.034 62.100 0.159 0.000 1.107 903 T CB 0.101 69.114 68.868 0.241 0.000 0.932 903 T HN 0.291 nan 8.240 nan 0.000 0.474 904 I N -1.970 118.671 120.570 0.119 0.000 3.570 904 I HA 0.366 4.538 4.170 0.003 0.000 0.270 904 I C -0.153 175.802 176.117 -0.271 0.000 1.162 904 I CA -0.334 60.943 61.300 -0.038 0.000 1.413 904 I CB 0.649 38.704 38.000 0.093 0.000 1.437 904 I HN 0.079 nan 8.210 nan 0.000 0.457 905 Y N 0.537 120.801 120.300 -0.060 0.000 2.468 905 Y HA 0.251 4.802 4.550 0.003 0.000 0.342 905 Y C 1.542 177.402 175.900 -0.068 0.000 1.021 905 Y CA -0.508 57.491 58.100 -0.168 0.000 1.079 905 Y CB 1.562 39.779 38.460 -0.405 0.000 1.226 905 Y HN -0.189 nan 8.280 nan 0.000 0.460 906 T N 0.408 115.017 114.554 0.091 0.000 2.653 906 T HA -0.197 4.155 4.350 0.003 0.000 0.268 906 T C 0.894 175.654 174.700 0.101 0.000 1.035 906 T CA 1.818 63.960 62.100 0.069 0.000 1.154 906 T CB -0.189 68.704 68.868 0.042 0.000 0.862 906 T HN 0.521 nan 8.240 nan 0.000 0.441 907 N N 2.150 120.911 118.700 0.102 0.000 2.327 907 N HA 0.111 4.853 4.740 0.003 0.000 0.231 907 N C -0.523 175.108 175.510 0.203 0.000 1.130 907 N CA -0.057 53.078 53.050 0.141 0.000 0.845 907 N CB 0.073 38.631 38.487 0.119 0.000 1.073 907 N HN 0.655 nan 8.380 nan 0.000 0.496 908 D N 0.317 120.847 120.400 0.217 0.000 2.332 908 D HA 0.426 5.068 4.640 0.003 0.000 0.252 908 D C -0.149 176.359 176.300 0.347 0.000 1.050 908 D CA -0.556 53.599 54.000 0.258 0.000 0.970 908 D CB 0.692 41.724 40.800 0.387 0.000 1.141 908 D HN 0.075 nan 8.370 nan 0.000 0.485 909 F N -2.572 117.528 119.950 0.251 0.000 2.631 909 F HA 0.567 5.096 4.527 0.003 0.000 0.308 909 F C -0.854 175.014 175.800 0.114 0.000 1.097 909 F CA -1.281 56.799 58.000 0.134 0.000 0.952 909 F CB 1.721 40.722 39.000 0.002 0.000 1.307 909 F HN 0.351 nan 8.300 nan 0.000 0.450 910 K N 3.019 123.515 120.400 0.161 0.000 2.292 910 K HA 0.679 5.001 4.320 0.003 0.000 0.257 910 K C -1.812 174.723 176.600 -0.108 0.000 0.940 910 K CA -0.692 55.476 56.287 -0.198 0.000 0.811 910 K CB 1.512 33.814 32.500 -0.331 0.000 1.120 910 K HN 0.898 nan 8.250 nan 0.000 0.428 911 L N 4.168 125.277 121.223 -0.191 0.000 2.276 911 L HA 0.285 4.627 4.340 0.003 0.000 0.286 911 L C 0.505 177.244 176.870 -0.219 0.000 1.024 911 L CA -0.377 54.396 54.840 -0.111 0.000 0.826 911 L CB 1.546 43.596 42.059 -0.015 0.000 1.211 911 L HN 0.814 nan 8.230 nan 0.000 0.422 912 S N -0.581 115.015 115.700 -0.174 0.000 2.787 912 S HA 0.173 4.645 4.470 0.003 0.000 0.255 912 S C 0.250 174.786 174.600 -0.107 0.000 1.051 912 S CA -0.351 57.737 58.200 -0.186 0.000 1.124 912 S CB 0.789 63.863 63.200 -0.211 0.000 1.104 912 S HN 0.477 nan 8.310 nan 0.000 0.623 913 S N 0.073 115.730 115.700 -0.073 0.000 2.564 913 S HA 0.591 5.063 4.470 0.003 0.000 0.274 913 S C 0.651 175.236 174.600 -0.025 0.000 1.124 913 S CA 0.105 58.280 58.200 -0.042 0.000 0.869 913 S CB 1.663 64.843 63.200 -0.034 0.000 1.105 913 S HN 0.126 nan 8.310 nan 0.000 0.472 914 S N 2.374 118.067 115.700 -0.011 0.000 2.420 914 S HA -0.031 4.441 4.470 0.003 0.000 0.237 914 S C 1.586 176.183 174.600 -0.005 0.000 1.023 914 S CA 2.049 60.249 58.200 0.000 0.000 0.991 914 S CB -0.771 62.433 63.200 0.007 0.000 0.792 914 S HN 0.931 nan 8.310 nan 0.000 0.488 915 G N 0.114 108.908 108.800 -0.011 0.000 2.838 915 G HA2 0.103 4.065 3.960 0.003 0.000 0.210 915 G HA3 0.103 4.065 3.960 0.003 0.000 0.210 915 G C -0.326 174.565 174.900 -0.016 0.000 1.153 915 G CA -0.255 44.837 45.100 -0.013 0.000 0.778 915 G HN 0.405 nan 8.290 nan 0.000 0.539 916 D N 1.522 121.913 120.400 -0.016 0.000 2.358 916 D HA 0.353 4.995 4.640 0.003 0.000 0.258 916 D C 0.160 176.455 176.300 -0.009 0.000 1.223 916 D CA 0.688 54.678 54.000 -0.016 0.000 0.886 916 D CB 1.061 41.850 40.800 -0.019 0.000 1.120 916 D HN 0.197 nan 8.370 nan 0.000 0.482 917 K N 1.905 122.293 120.400 -0.020 0.000 2.498 917 K HA 0.543 4.864 4.320 0.003 0.000 0.254 917 K C -0.564 176.006 176.600 -0.050 0.000 0.933 917 K CA -0.760 55.517 56.287 -0.016 0.000 0.806 917 K CB 2.387 34.876 32.500 -0.019 0.000 1.301 917 K HN 0.244 nan 8.250 nan 0.000 0.432 918 I N 3.682 124.222 120.570 -0.051 0.000 2.362 918 I HA 0.314 4.486 4.170 0.003 0.000 0.289 918 I C -0.572 175.545 176.117 0.001 0.000 0.994 918 I CA -1.023 60.204 61.300 -0.121 0.000 1.158 918 I CB 1.146 38.902 38.000 -0.406 0.000 1.315 918 I HN 0.311 nan 8.210 nan 0.000 0.451 919 I N 7.519 128.073 120.570 -0.026 0.000 2.339 919 I HA 0.337 4.509 4.170 0.003 0.000 0.290 919 I C -0.027 176.092 176.117 0.005 0.000 0.994 919 I CA -0.774 60.522 61.300 -0.007 0.000 1.191 919 I CB 1.399 39.383 38.000 -0.026 0.000 1.343 919 I HN 0.130 nan 8.210 nan 0.000 0.458 920 V N 6.986 126.924 119.914 0.041 0.000 2.384 920 V HA 0.406 4.528 4.120 0.003 0.000 0.287 920 V C 0.114 176.234 176.094 0.043 0.000 1.020 920 V CA -0.727 61.607 62.300 0.058 0.000 0.850 920 V CB 1.598 33.503 31.823 0.138 0.000 0.987 920 V HN 0.618 nan 8.190 nan 0.000 0.436 921 N N 4.626 123.348 118.700 0.038 0.000 2.476 921 N HA 0.443 5.185 4.740 0.003 0.000 0.257 921 N C -0.787 174.756 175.510 0.055 0.000 0.970 921 N CA -0.556 52.515 53.050 0.036 0.000 0.938 921 N CB 2.137 40.637 38.487 0.021 0.000 1.144 921 N HN 0.369 nan 8.380 nan 0.000 0.500 922 L N 1.874 123.136 121.223 0.066 0.000 2.452 922 L HA 0.119 4.461 4.340 0.003 0.000 0.267 922 L C 1.212 178.121 176.870 0.065 0.000 1.188 922 L CA -0.096 54.787 54.840 0.073 0.000 0.821 922 L CB 0.114 42.215 42.059 0.072 0.000 1.102 922 L HN 0.423 nan 8.230 nan 0.000 0.470 923 N N 1.573 120.318 118.700 0.076 0.000 2.434 923 N HA -0.128 4.614 4.740 0.003 0.000 0.268 923 N C 0.891 176.442 175.510 0.069 0.000 1.256 923 N CA 0.359 53.455 53.050 0.078 0.000 0.914 923 N CB 0.146 38.699 38.487 0.110 0.000 1.088 923 N HN 0.567 nan 8.380 nan 0.000 0.478 924 N N 4.082 122.821 118.700 0.066 0.000 2.258 924 N HA -0.147 4.594 4.740 0.003 0.000 0.187 924 N C 0.639 176.206 175.510 0.095 0.000 1.012 924 N CA 1.453 54.548 53.050 0.074 0.000 0.870 924 N CB -0.044 38.483 38.487 0.067 0.000 0.977 924 N HN 0.614 nan 8.380 nan 0.000 0.434 925 N N -0.471 118.284 118.700 0.092 0.000 2.364 925 N HA -0.004 4.737 4.740 0.003 0.000 0.183 925 N C 1.387 176.979 175.510 0.136 0.000 1.022 925 N CA 0.554 53.674 53.050 0.116 0.000 0.883 925 N CB 0.000 38.546 38.487 0.099 0.000 0.965 925 N HN 0.332 nan 8.380 nan 0.000 0.438 926 I N 0.616 121.230 120.570 0.073 0.000 2.335 926 I HA -0.255 3.916 4.170 0.003 0.000 0.251 926 I C 1.597 177.738 176.117 0.040 0.000 1.129 926 I CA 1.020 62.314 61.300 -0.010 0.000 1.402 926 I CB -0.165 37.756 38.000 -0.132 0.000 1.069 926 I HN 0.233 nan 8.210 nan 0.000 0.424 927 L N -0.721 120.562 121.223 0.100 0.000 2.362 927 L HA -0.166 4.176 4.340 0.003 0.000 0.219 927 L C 1.043 178.098 176.870 0.309 0.000 1.134 927 L CA 0.476 55.399 54.840 0.138 0.000 0.807 927 L CB -0.402 41.754 42.059 0.162 0.000 0.927 927 L HN 0.246 nan 8.230 nan 0.000 0.447 928 Y N 1.720 122.112 120.300 0.152 0.000 2.667 928 Y HA 0.189 4.740 4.550 0.002 0.000 0.340 928 Y C 0.549 176.515 175.900 0.110 0.000 1.303 928 Y CA -0.682 57.504 58.100 0.143 0.000 1.769 928 Y CB -0.255 38.262 38.460 0.094 0.000 1.804 928 Y HN 0.132 nan 8.280 nan 0.000 0.451 929 S N 0.321 116.005 115.700 -0.028 0.000 2.724 929 S HA 0.569 5.041 4.470 0.003 0.000 0.278 929 S C 0.662 175.252 174.600 -0.016 0.000 1.190 929 S CA -0.493 57.685 58.200 -0.037 0.000 0.860 929 S CB 0.398 63.609 63.200 0.019 0.000 1.206 929 S HN 0.365 nan 8.310 nan 0.000 0.507 930 A N 0.103 122.920 122.820 -0.005 0.000 2.125 930 A HA 0.073 4.394 4.320 0.003 0.000 0.219 930 A C 1.856 179.457 177.584 0.028 0.000 1.156 930 A CA 1.419 53.462 52.037 0.011 0.000 0.671 930 A CB -1.110 17.897 19.000 0.012 0.000 0.794 930 A HN 0.932 nan 8.150 nan 0.000 0.459 931 I N -1.871 118.707 120.570 0.014 0.000 2.423 931 I HA -0.229 3.942 4.170 0.003 0.000 0.254 931 I C 1.894 177.996 176.117 -0.024 0.000 1.151 931 I CA 1.354 62.641 61.300 -0.022 0.000 1.421 931 I CB -0.323 37.636 38.000 -0.069 0.000 1.079 931 I HN 0.451 nan 8.210 nan 0.000 0.431 932 Y N 0.600 120.902 120.300 0.003 0.000 2.516 932 Y HA -0.059 4.493 4.550 0.002 0.000 0.291 932 Y C 2.196 178.101 175.900 0.009 0.000 1.131 932 Y CA 1.134 59.243 58.100 0.015 0.000 1.281 932 Y CB -0.020 38.440 38.460 -0.000 0.000 1.013 932 Y HN 0.356 nan 8.280 nan 0.000 0.554 933 E N -0.568 119.714 120.200 0.136 0.000 2.244 933 E HA 0.075 4.427 4.350 0.003 0.000 0.196 933 E C -0.308 176.323 176.600 0.053 0.000 0.939 933 E CA 0.480 56.928 56.400 0.082 0.000 0.884 933 E CB 0.216 29.944 29.700 0.047 0.000 0.850 933 E HN 0.377 nan 8.360 nan 0.000 0.481 934 N N 0.131 118.852 118.700 0.035 0.000 2.367 934 N HA 0.348 5.090 4.740 0.003 0.000 0.278 934 N C -1.163 174.347 175.510 0.001 0.000 1.117 934 N CA -0.749 52.310 53.050 0.016 0.000 0.867 934 N CB 1.914 40.407 38.487 0.011 0.000 1.649 934 N HN -0.000 nan 8.380 nan 0.000 0.479 935 S N -0.312 115.377 115.700 -0.019 0.000 2.615 935 S HA 0.874 5.346 4.470 0.003 0.000 0.269 935 S C -1.434 173.126 174.600 -0.067 0.000 1.161 935 S CA -0.748 57.435 58.200 -0.029 0.000 0.817 935 S CB 1.342 64.510 63.200 -0.052 0.000 1.131 935 S HN 0.581 nan 8.310 nan 0.000 0.467 936 S N 0.101 115.780 115.700 -0.035 0.000 2.549 936 S HA 0.785 5.257 4.470 0.003 0.000 0.280 936 S C -1.318 173.253 174.600 -0.049 0.000 1.109 936 S CA -0.693 57.446 58.200 -0.102 0.000 0.905 936 S CB 1.729 64.832 63.200 -0.161 0.000 1.081 936 S HN 0.832 nan 8.310 nan 0.000 0.477 937 V N 2.622 122.401 119.914 -0.226 0.000 2.531 937 V HA 0.795 4.917 4.120 0.003 0.000 0.301 937 V C -0.346 175.614 176.094 -0.223 0.000 1.034 937 V CA -0.596 61.562 62.300 -0.236 0.000 0.865 937 V CB 1.675 33.281 31.823 -0.362 0.000 0.995 937 V HN 0.999 nan 8.190 nan 0.000 0.424 938 S N 4.541 120.168 115.700 -0.121 0.000 2.548 938 S HA 0.999 5.471 4.470 0.003 0.000 0.286 938 S C -0.987 173.652 174.600 0.066 0.000 1.098 938 S CA -0.655 57.433 58.200 -0.186 0.000 0.930 938 S CB 2.377 65.597 63.200 0.033 0.000 1.070 938 S HN 1.235 nan 8.310 nan 0.000 0.480 939 F N -2.575 117.330 119.950 -0.076 0.000 2.799 939 F HA 0.763 5.291 4.527 0.003 0.000 0.316 939 F C -2.463 173.459 175.800 0.204 0.000 1.155 939 F CA -1.685 56.458 58.000 0.238 0.000 0.916 939 F CB 0.119 39.348 39.000 0.381 0.000 1.294 939 F HN 0.633 nan 8.300 nan 0.000 0.447 940 W N 2.531 124.093 121.300 0.437 0.000 2.516 940 W HA 0.823 5.484 4.660 0.002 0.000 0.343 940 W C -0.728 176.065 176.519 0.456 0.000 1.094 940 W CA -0.990 56.564 57.345 0.348 0.000 1.250 940 W CB 1.630 31.287 29.460 0.329 0.000 1.308 940 W HN 0.725 nan 8.180 nan 0.000 0.588 941 I N 1.829 122.608 120.570 0.348 0.000 2.865 941 I HA 0.459 4.630 4.170 0.003 0.000 0.302 941 I C -1.271 174.742 176.117 -0.174 0.000 1.140 941 I CA -1.248 60.112 61.300 0.101 0.000 1.021 941 I CB 2.120 40.120 38.000 -0.001 0.000 1.233 941 I HN 0.414 nan 8.210 nan 0.000 0.427 942 K N 7.654 127.907 120.400 -0.245 0.000 2.601 942 K HA 0.562 4.884 4.320 0.003 0.000 0.249 942 K C -2.084 174.536 176.600 0.033 0.000 0.966 942 K CA -0.478 55.634 56.287 -0.291 0.000 0.827 942 K CB 1.361 33.200 32.500 -1.103 0.000 1.178 942 K HN 0.553 nan 8.250 nan 0.000 0.437 943 I N 3.710 124.351 120.570 0.118 0.000 2.389 943 I HA 0.173 4.345 4.170 0.003 0.000 0.288 943 I C 0.383 176.654 176.117 0.257 0.000 0.999 943 I CA -0.826 60.572 61.300 0.163 0.000 1.129 943 I CB 1.924 39.989 38.000 0.109 0.000 1.288 943 I HN 0.689 nan 8.210 nan 0.000 0.444 944 S N 5.175 121.006 115.700 0.218 0.000 2.569 944 S HA 0.009 4.481 4.470 0.003 0.000 0.274 944 S C 1.206 175.902 174.600 0.159 0.000 1.353 944 S CA -0.194 58.126 58.200 0.200 0.000 1.023 944 S CB 1.023 64.291 63.200 0.114 0.000 0.876 944 S HN 0.837 nan 8.310 nan 0.000 0.540 945 K N 0.968 121.430 120.400 0.104 0.000 2.032 945 K HA -0.201 4.121 4.320 0.003 0.000 0.209 945 K C 1.096 177.653 176.600 -0.071 0.000 1.048 945 K CA 2.120 58.384 56.287 -0.037 0.000 0.927 945 K CB -0.479 31.734 32.500 -0.478 0.000 0.712 945 K HN 0.714 nan 8.250 nan 0.000 0.441 946 D N 0.560 120.912 120.400 -0.080 0.000 2.178 946 D HA -0.136 4.506 4.640 0.003 0.000 0.202 946 D C 1.705 177.982 176.300 -0.038 0.000 0.974 946 D CA 0.616 54.577 54.000 -0.065 0.000 0.841 946 D CB -0.044 40.722 40.800 -0.056 0.000 0.953 946 D HN 0.156 nan 8.370 nan 0.000 0.478 947 L N 0.351 121.552 121.223 -0.038 0.000 2.109 947 L HA -0.034 4.308 4.340 0.003 0.000 0.207 947 L C 2.015 178.897 176.870 0.020 0.000 1.086 947 L CA 1.623 56.411 54.840 -0.085 0.000 0.760 947 L CB -0.889 41.085 42.059 -0.142 0.000 0.910 947 L HN -0.073 nan 8.230 nan 0.000 0.437 948 T N -0.340 114.277 114.554 0.106 0.000 2.788 948 T HA -0.173 4.179 4.350 0.003 0.000 0.268 948 T C 1.684 176.396 174.700 0.021 0.000 1.044 948 T CA 1.595 63.792 62.100 0.163 0.000 1.139 948 T CB -0.382 68.642 68.868 0.261 0.000 0.867 948 T HN 0.377 nan 8.240 nan 0.000 0.454 949 N N 1.143 119.832 118.700 -0.017 0.000 2.453 949 N HA -0.007 4.735 4.740 0.003 0.000 0.183 949 N C 0.635 176.077 175.510 -0.114 0.000 1.041 949 N CA 0.191 53.192 53.050 -0.082 0.000 0.900 949 N CB -0.112 38.332 38.487 -0.073 0.000 0.961 949 N HN 0.167 nan 8.380 nan 0.000 0.443 950 S N -0.968 114.729 115.700 -0.006 0.000 2.549 950 S HA 0.015 4.487 4.470 0.003 0.000 0.283 950 S C 0.618 175.240 174.600 0.038 0.000 1.320 950 S CA -0.251 58.001 58.200 0.087 0.000 1.058 950 S CB 0.273 63.631 63.200 0.264 0.000 0.882 950 S HN 0.401 nan 8.310 nan 0.000 0.498 951 H N 2.883 122.010 119.070 0.096 0.000 2.547 951 H HA 0.202 4.760 4.556 0.003 0.000 0.272 951 H C 0.634 175.992 175.328 0.050 0.000 0.989 951 H CA 0.378 56.462 56.048 0.061 0.000 1.214 951 H CB 0.054 29.833 29.762 0.029 0.000 1.389 951 H HN 0.444 nan 8.280 nan 0.000 0.577 952 N N 1.077 119.867 118.700 0.150 0.000 2.354 952 N HA 0.002 4.744 4.740 0.003 0.000 0.246 952 N C 0.138 175.561 175.510 -0.146 0.000 1.285 952 N CA -0.104 52.906 53.050 -0.066 0.000 0.925 952 N CB 0.663 38.995 38.487 -0.258 0.000 1.174 952 N HN 0.396 nan 8.380 nan 0.000 0.478 953 E N 0.207 120.220 120.200 -0.312 0.000 2.166 953 E HA 0.280 4.632 4.350 0.003 0.000 0.275 953 E C -1.399 174.946 176.600 -0.425 0.000 0.941 953 E CA -0.471 55.808 56.400 -0.202 0.000 0.784 953 E CB 0.518 30.160 29.700 -0.095 0.000 1.115 953 E HN 0.417 nan 8.360 nan 0.000 0.399 954 Y N 1.771 122.097 120.300 0.042 0.000 2.338 954 Y HA 0.242 4.794 4.550 0.003 0.000 0.333 954 Y C 0.025 175.936 175.900 0.019 0.000 0.968 954 Y CA -0.979 57.138 58.100 0.028 0.000 1.123 954 Y CB 2.246 40.730 38.460 0.041 0.000 1.165 954 Y HN 0.329 nan 8.280 nan 0.000 0.452 955 T N 4.767 119.380 114.554 0.098 0.000 2.814 955 T HA 0.179 4.531 4.350 0.003 0.000 0.297 955 T C 0.911 175.640 174.700 0.048 0.000 0.956 955 T CA 0.016 62.136 62.100 0.034 0.000 1.123 955 T CB 0.528 69.368 68.868 -0.046 0.000 0.902 955 T HN 0.493 nan 8.240 nan 0.000 0.528 956 I N 2.485 123.078 120.570 0.037 0.000 3.445 956 I HA 0.327 4.499 4.170 0.003 0.000 0.288 956 I C 0.641 176.722 176.117 -0.060 0.000 1.198 956 I CA 0.643 61.964 61.300 0.035 0.000 1.417 956 I CB -0.039 38.012 38.000 0.085 0.000 1.205 956 I HN 0.519 nan 8.210 nan 0.000 0.448 957 I N 1.558 122.042 120.570 -0.144 0.000 2.478 957 I HA 0.302 4.474 4.170 0.003 0.000 0.287 957 I C -0.599 175.260 176.117 -0.431 0.000 1.042 957 I CA -0.498 60.562 61.300 -0.399 0.000 1.067 957 I CB 2.014 39.783 38.000 -0.385 0.000 1.233 957 I HN -0.044 nan 8.210 nan 0.000 0.431 958 N N 3.434 121.811 118.700 -0.539 0.000 2.399 958 N HA 0.353 5.094 4.740 0.003 0.000 0.280 958 N C -0.852 174.229 175.510 -0.715 0.000 1.008 958 N CA -0.121 52.611 53.050 -0.531 0.000 0.894 958 N CB 2.011 40.296 38.487 -0.336 0.000 1.273 958 N HN 0.470 nan 8.380 nan 0.000 0.486 959 S N 4.174 119.301 115.700 -0.955 0.000 2.794 959 S HA 0.408 4.880 4.470 0.003 0.000 0.244 959 S C -0.892 173.314 174.600 -0.658 0.000 1.045 959 S CA -0.514 57.110 58.200 -0.960 0.000 1.114 959 S CB -0.354 61.836 63.200 -1.685 0.000 1.085 959 S HN 0.453 nan 8.310 nan 0.000 0.488 960 I N 2.742 123.048 120.570 -0.440 0.000 2.339 960 I HA 0.586 4.758 4.170 0.003 0.000 0.290 960 I C -0.234 175.768 176.117 -0.192 0.000 0.994 960 I CA -0.489 60.649 61.300 -0.270 0.000 1.191 960 I CB 1.347 39.211 38.000 -0.227 0.000 1.343 960 I HN 0.097 nan 8.210 nan 0.000 0.458 961 K N 5.617 125.937 120.400 -0.133 0.000 2.468 961 K HA 0.334 4.655 4.320 0.003 0.000 0.252 961 K C -0.367 176.200 176.600 -0.055 0.000 0.932 961 K CA -0.654 55.579 56.287 -0.091 0.000 0.794 961 K CB 2.075 34.527 32.500 -0.080 0.000 1.241 961 K HN 0.388 nan 8.250 nan 0.000 0.428 962 Q N 1.964 121.737 119.800 -0.045 0.000 2.468 962 Q HA -0.248 4.093 4.340 0.003 0.000 0.289 962 Q C -0.425 175.564 176.000 -0.019 0.000 1.299 962 Q CA 0.844 56.632 55.803 -0.025 0.000 0.838 962 Q CB -1.671 27.060 28.738 -0.012 0.000 1.195 962 Q HN 0.878 nan 8.270 nan 0.000 0.456 963 N N -3.015 115.667 118.700 -0.031 0.000 2.980 963 N HA -0.146 4.596 4.740 0.003 0.000 0.219 963 N C -0.235 175.266 175.510 -0.015 0.000 0.883 963 N CA 1.431 54.469 53.050 -0.020 0.000 1.018 963 N CB -0.981 37.504 38.487 -0.002 0.000 1.041 963 N HN 0.511 nan 8.380 nan 0.000 0.592 964 S N -1.198 114.490 115.700 -0.019 0.000 2.564 964 S HA 0.805 5.277 4.470 0.003 0.000 0.274 964 S C 0.206 174.792 174.600 -0.023 0.000 1.124 964 S CA 0.642 58.843 58.200 0.002 0.000 0.869 964 S CB 1.937 65.160 63.200 0.039 0.000 1.105 964 S HN 1.012 nan 8.310 nan 0.000 0.472 965 G N 2.447 111.247 108.800 -0.001 0.000 2.288 965 G HA2 0.154 4.116 3.960 0.003 0.000 0.227 965 G HA3 0.154 4.116 3.960 0.003 0.000 0.227 965 G C -1.713 173.197 174.900 0.017 0.000 1.339 965 G CA -0.097 44.995 45.100 -0.013 0.000 1.057 965 G HN 1.188 nan 8.290 nan 0.000 0.470 966 W N 0.823 121.999 121.300 -0.206 0.000 3.031 966 W HA 0.839 5.501 4.660 0.003 0.000 0.337 966 W C -0.721 175.528 176.519 -0.451 0.000 1.187 966 W CA -0.779 56.316 57.345 -0.417 0.000 1.166 966 W CB 1.414 30.544 29.460 -0.550 0.000 1.437 966 W HN 1.085 nan 8.180 nan 0.000 0.551 967 K N 0.868 121.069 120.400 -0.332 0.000 2.556 967 K HA 0.764 5.085 4.320 0.003 0.000 0.274 967 K C -2.457 174.063 176.600 -0.133 0.000 0.966 967 K CA -0.993 55.119 56.287 -0.291 0.000 0.865 967 K CB 2.485 34.810 32.500 -0.292 0.000 1.444 967 K HN 0.426 nan 8.250 nan 0.000 0.433 968 L N 1.378 122.629 121.223 0.046 0.000 2.341 968 L HA 0.602 4.944 4.340 0.003 0.000 0.278 968 L C -1.510 175.441 176.870 0.134 0.000 1.005 968 L CA 0.036 55.004 54.840 0.213 0.000 0.818 968 L CB 1.535 43.817 42.059 0.370 0.000 1.259 968 L HN 0.939 nan 8.230 nan 0.000 0.418 969 C N 4.591 123.995 119.300 0.173 0.000 2.719 969 C HA 0.671 5.132 4.460 0.003 0.000 0.327 969 C C -0.506 174.630 174.990 0.244 0.000 1.238 969 C CA -1.039 58.077 59.018 0.165 0.000 1.727 969 C CB 1.722 29.526 27.740 0.107 0.000 2.256 969 C HN 0.573 nan 8.230 nan 0.000 0.489 970 I N 2.125 122.858 120.570 0.272 0.000 2.433 970 I HA 0.601 4.773 4.170 0.003 0.000 0.292 970 I C -0.044 176.273 176.117 0.333 0.000 1.001 970 I CA -0.089 61.413 61.300 0.336 0.000 1.119 970 I CB 1.410 39.607 38.000 0.328 0.000 1.289 970 I HN 0.747 nan 8.210 nan 0.000 0.438 971 R N 5.035 125.703 120.500 0.281 0.000 2.510 971 R HA 0.234 4.576 4.340 0.003 0.000 0.287 971 R C -0.311 176.078 176.300 0.148 0.000 1.084 971 R CA -0.440 55.781 56.100 0.202 0.000 0.934 971 R CB 0.705 31.086 30.300 0.135 0.000 1.201 971 R HN 0.644 nan 8.270 nan 0.000 0.431 972 N N 3.011 121.785 118.700 0.122 0.000 2.714 972 N HA -0.204 4.538 4.740 0.003 0.000 0.252 972 N C 0.410 175.888 175.510 -0.053 0.000 1.014 972 N CA 2.002 55.060 53.050 0.014 0.000 0.735 972 N CB -0.985 37.522 38.487 0.033 0.000 0.924 972 N HN 1.109 nan 8.380 nan 0.000 0.540 973 G N -1.110 107.662 108.800 -0.047 0.000 2.143 973 G HA2 -0.314 3.647 3.960 0.003 0.000 0.248 973 G HA3 -0.314 3.647 3.960 0.003 0.000 0.248 973 G C -0.184 174.445 174.900 -0.452 0.000 0.991 973 G CA 0.372 45.285 45.100 -0.313 0.000 0.689 973 G HN 0.688 nan 8.290 nan 0.000 0.522 974 N N -0.120 118.577 118.700 -0.005 0.000 2.319 974 N HA 0.651 5.392 4.740 0.003 0.000 0.305 974 N C 0.269 176.066 175.510 0.478 0.000 1.103 974 N CA -0.398 52.753 53.050 0.168 0.000 0.815 974 N CB 1.976 40.532 38.487 0.115 0.000 1.288 974 N HN 0.501 nan 8.380 nan 0.000 0.493 975 I N -1.891 119.028 120.570 0.582 0.000 2.428 975 I HA 0.542 4.714 4.170 0.003 0.000 0.296 975 I C -0.120 176.240 176.117 0.404 0.000 0.985 975 I CA -0.492 61.108 61.300 0.500 0.000 1.260 975 I CB 1.556 39.879 38.000 0.538 0.000 1.389 975 I HN 0.411 nan 8.210 nan 0.000 0.484 976 E N 6.241 126.657 120.200 0.360 0.000 2.263 976 E HA 0.227 4.579 4.350 0.003 0.000 0.268 976 E C -2.108 174.715 176.600 0.372 0.000 0.884 976 E CA -0.802 55.794 56.400 0.325 0.000 0.766 976 E CB 1.903 31.745 29.700 0.236 0.000 1.196 976 E HN 0.767 nan 8.360 nan 0.000 0.416 977 W N 8.123 129.545 121.300 0.204 0.000 2.429 977 W HA 0.458 5.120 4.660 0.003 0.000 0.314 977 W C -1.731 174.904 176.519 0.194 0.000 1.062 977 W CA -0.671 56.798 57.345 0.207 0.000 1.211 977 W CB 0.865 30.434 29.460 0.182 0.000 1.305 977 W HN 0.426 nan 8.180 nan 0.000 0.476 978 I N 7.688 128.058 120.570 -0.334 0.000 2.465 978 I HA 0.325 4.497 4.170 0.003 0.000 0.291 978 I C -0.907 175.020 176.117 -0.317 0.000 1.014 978 I CA -1.056 60.136 61.300 -0.180 0.000 1.093 978 I CB 1.869 39.776 38.000 -0.155 0.000 1.267 978 I HN 0.298 nan 8.210 nan 0.000 0.431 979 L N 6.391 127.599 121.223 -0.025 0.000 2.356 979 L HA 0.487 4.828 4.340 0.003 0.000 0.277 979 L C -0.672 176.272 176.870 0.124 0.000 0.996 979 L CA -0.073 54.802 54.840 0.058 0.000 0.822 979 L CB 1.702 43.871 42.059 0.184 0.000 1.256 979 L HN 0.681 nan 8.230 nan 0.000 0.413 980 Q N 2.690 122.546 119.800 0.094 0.000 2.337 980 Q HA 0.419 4.760 4.340 0.003 0.000 0.270 980 Q C -1.286 174.769 176.000 0.091 0.000 1.043 980 Q CA -0.822 55.048 55.803 0.111 0.000 0.794 980 Q CB 1.848 30.618 28.738 0.054 0.000 1.281 980 Q HN 0.784 nan 8.270 nan 0.000 0.446 981 D N 2.209 122.665 120.400 0.094 0.000 2.478 981 D HA 0.071 4.713 4.640 0.003 0.000 0.269 981 D C 1.046 177.382 176.300 0.060 0.000 1.232 981 D CA -0.457 53.589 54.000 0.077 0.000 1.059 981 D CB 0.498 41.338 40.800 0.067 0.000 1.104 981 D HN 0.576 nan 8.370 nan 0.000 0.566 982 I N -2.836 117.765 120.570 0.052 0.000 3.176 982 I HA 0.107 4.279 4.170 0.003 0.000 0.275 982 I C 0.580 176.716 176.117 0.031 0.000 1.298 982 I CA 0.480 61.804 61.300 0.039 0.000 1.445 982 I CB -1.331 36.691 38.000 0.037 0.000 1.075 982 I HN 0.263 nan 8.210 nan 0.000 0.482 983 N N 1.153 119.874 118.700 0.035 0.000 2.235 983 N HA 0.253 4.995 4.740 0.003 0.000 0.209 983 N C 0.003 175.537 175.510 0.041 0.000 1.122 983 N CA -0.186 52.883 53.050 0.031 0.000 0.845 983 N CB 0.068 38.571 38.487 0.025 0.000 1.004 983 N HN 0.174 nan 8.380 nan 0.000 0.499 984 R N -0.265 120.266 120.500 0.052 0.000 3.989 984 R HA -0.195 4.146 4.340 0.003 0.000 0.377 984 R C -0.210 176.169 176.300 0.131 0.000 1.158 984 R CA 0.700 56.844 56.100 0.075 0.000 1.035 984 R CB -1.659 28.674 30.300 0.054 0.000 1.557 984 R HN 0.288 nan 8.270 nan 0.000 0.551 985 K N 1.403 121.862 120.400 0.099 0.000 2.298 985 K HA 0.215 4.537 4.320 0.003 0.000 0.280 985 K C -0.381 176.307 176.600 0.147 0.000 1.032 985 K CA -0.252 56.083 56.287 0.080 0.000 0.958 985 K CB 0.454 32.966 32.500 0.019 0.000 0.978 985 K HN 0.140 nan 8.250 nan 0.000 0.472 986 Y N 0.706 121.017 120.300 0.018 0.000 2.609 986 Y HA 0.605 5.156 4.550 0.003 0.000 0.342 986 Y C -1.363 174.560 175.900 0.039 0.000 1.058 986 Y CA -1.327 56.787 58.100 0.024 0.000 1.055 986 Y CB 1.250 39.716 38.460 0.010 0.000 1.292 986 Y HN 0.242 nan 8.280 nan 0.000 0.476 987 K N 1.501 122.006 120.400 0.175 0.000 2.328 987 K HA 0.697 5.018 4.320 0.003 0.000 0.246 987 K C -1.207 175.561 176.600 0.280 0.000 0.955 987 K CA -0.728 55.634 56.287 0.125 0.000 0.817 987 K CB 2.096 34.662 32.500 0.109 0.000 1.208 987 K HN 0.980 nan 8.250 nan 0.000 0.432 988 S N 0.737 116.589 115.700 0.253 0.000 2.569 988 S HA 0.685 5.156 4.470 0.003 0.000 0.280 988 S C -0.756 174.003 174.600 0.266 0.000 1.111 988 S CA -0.963 57.415 58.200 0.297 0.000 0.887 988 S CB 1.143 64.533 63.200 0.316 0.000 1.095 988 S HN 0.383 nan 8.310 nan 0.000 0.476 989 L N 2.017 123.433 121.223 0.322 0.000 2.322 989 L HA 0.649 4.991 4.340 0.003 0.000 0.281 989 L C -0.923 176.108 176.870 0.269 0.000 1.014 989 L CA -0.699 54.295 54.840 0.256 0.000 0.815 989 L CB 1.379 43.578 42.059 0.234 0.000 1.247 989 L HN 0.643 nan 8.230 nan 0.000 0.421 990 I N 2.959 123.665 120.570 0.226 0.000 2.498 990 I HA 0.405 4.577 4.170 0.003 0.000 0.290 990 I C -1.229 175.056 176.117 0.280 0.000 1.032 990 I CA -0.483 60.961 61.300 0.241 0.000 1.073 990 I CB 2.328 40.435 38.000 0.180 0.000 1.251 990 I HN 0.356 nan 8.210 nan 0.000 0.426 991 F N 5.527 125.556 119.950 0.132 0.000 2.536 991 F HA 0.373 4.902 4.527 0.003 0.000 0.322 991 F C -0.397 175.475 175.800 0.120 0.000 1.144 991 F CA -0.861 57.194 58.000 0.092 0.000 0.924 991 F CB 1.317 40.353 39.000 0.060 0.000 1.181 991 F HN 0.364 nan 8.300 nan 0.000 0.438 992 D N 5.374 125.420 120.400 -0.591 0.000 2.402 992 D HA 0.013 4.655 4.640 0.003 0.000 0.235 992 D C 0.526 176.314 176.300 -0.854 0.000 1.226 992 D CA 0.006 53.678 54.000 -0.547 0.000 0.918 992 D CB 0.085 40.669 40.800 -0.360 0.000 1.043 992 D HN 0.585 nan 8.370 nan 0.000 0.506 993 Y N 1.712 121.707 120.300 -0.509 0.000 2.517 993 Y HA 0.124 4.676 4.550 0.003 0.000 0.281 993 Y C 1.983 177.900 175.900 0.029 0.000 1.125 993 Y CA 0.233 58.158 58.100 -0.290 0.000 1.283 993 Y CB -0.235 38.109 38.460 -0.192 0.000 1.042 993 Y HN 0.247 nan 8.280 nan 0.000 0.547 994 S N 0.581 115.919 115.700 -0.603 0.000 2.388 994 S HA -0.100 4.372 4.470 0.003 0.000 0.223 994 S C 0.713 175.235 174.600 -0.129 0.000 1.034 994 S CA 0.902 58.903 58.200 -0.331 0.000 0.963 994 S CB -0.480 62.461 63.200 -0.432 0.000 0.827 994 S HN 0.593 nan 8.310 nan 0.000 0.481 995 E N 0.699 120.795 120.200 -0.174 0.000 2.252 995 E HA -0.146 4.206 4.350 0.003 0.000 0.218 995 E C -0.233 176.318 176.600 -0.081 0.000 1.253 995 E CA 0.404 56.735 56.400 -0.115 0.000 0.705 995 E CB -2.099 27.548 29.700 -0.087 0.000 1.172 995 E HN 0.462 nan 8.360 nan 0.000 0.369 996 S N -1.028 114.617 115.700 -0.091 0.000 3.682 996 S HA -0.252 4.219 4.470 0.003 0.000 0.354 996 S C 0.735 175.316 174.600 -0.031 0.000 1.034 996 S CA 0.772 58.934 58.200 -0.064 0.000 1.084 996 S CB -1.216 61.953 63.200 -0.051 0.000 0.903 996 S HN 0.589 nan 8.310 nan 0.000 0.470 997 L N -1.857 119.366 121.223 0.000 0.000 4.001 997 L HA -0.225 4.116 4.340 0.003 0.000 0.413 997 L C 0.789 177.735 176.870 0.126 0.000 1.185 997 L CA 0.601 55.505 54.840 0.108 0.000 0.963 997 L CB -2.114 39.996 42.059 0.085 0.000 1.976 997 L HN 0.670 nan 8.230 nan 0.000 0.939 998 S N -0.797 114.922 115.700 0.031 0.000 2.568 998 S HA 0.114 4.586 4.470 0.003 0.000 0.282 998 S C 1.323 175.965 174.600 0.070 0.000 1.338 998 S CA 0.261 58.434 58.200 -0.045 0.000 1.045 998 S CB 0.565 63.729 63.200 -0.061 0.000 0.873 998 S HN 0.413 nan 8.310 nan 0.000 0.516 999 H N 1.621 120.724 119.070 0.056 0.000 2.559 999 H HA 0.012 4.569 4.556 0.003 0.000 0.273 999 H C 1.984 177.277 175.328 -0.060 0.000 1.000 999 H CA 1.037 57.106 56.048 0.035 0.000 1.195 999 H CB 0.088 29.855 29.762 0.008 0.000 1.368 999 H HN 0.760 nan 8.280 nan 0.000 0.592 1000 T N -2.291 112.263 114.554 -0.001 0.000 3.081 1000 T HA 0.126 4.478 4.350 0.003 0.000 0.255 1000 T C 1.408 175.994 174.700 -0.191 0.000 1.113 1000 T CA 0.156 62.196 62.100 -0.099 0.000 1.082 1000 T CB 0.169 68.987 68.868 -0.084 0.000 0.939 1000 T HN 0.273 nan 8.240 nan 0.000 0.506 1001 G N -0.103 108.621 108.800 -0.126 0.000 2.509 1001 G HA2 0.463 4.425 3.960 0.003 0.000 0.269 1001 G HA3 0.463 4.425 3.960 0.003 0.000 0.269 1001 G C -0.458 174.320 174.900 -0.203 0.000 1.416 1001 G CA -0.859 44.132 45.100 -0.182 0.000 1.052 1001 G HN 0.398 nan 8.290 nan 0.000 0.542 1002 Y N -0.666 119.765 120.300 0.218 0.000 2.636 1002 Y HA 0.273 4.825 4.550 0.003 0.000 0.260 1002 Y C 1.331 177.556 175.900 0.542 0.000 1.177 1002 Y CA -0.498 57.805 58.100 0.338 0.000 1.209 1002 Y CB 0.028 38.597 38.460 0.182 0.000 1.166 1002 Y HN 0.143 nan 8.280 nan 0.000 0.531 1003 T N 2.180 117.120 114.554 0.642 0.000 2.831 1003 T HA -0.091 4.261 4.350 0.003 0.000 0.291 1003 T C 0.810 175.948 174.700 0.729 0.000 0.981 1003 T CA 0.625 63.147 62.100 0.704 0.000 1.174 1003 T CB -0.185 69.071 68.868 0.645 0.000 0.929 1003 T HN 0.533 nan 8.240 nan 0.000 0.532 1004 N N 1.805 120.862 118.700 0.595 0.000 2.708 1004 N HA -0.190 4.552 4.740 0.003 0.000 0.251 1004 N C -0.704 175.079 175.510 0.455 0.000 1.123 1004 N CA 1.223 54.520 53.050 0.412 0.000 0.739 1004 N CB -0.799 37.864 38.487 0.293 0.000 1.113 1004 N HN 0.668 nan 8.380 nan 0.000 0.561 1005 K N -0.408 120.326 120.400 0.558 0.000 2.221 1005 K HA 0.256 4.578 4.320 0.003 0.000 0.258 1005 K C -0.501 176.462 176.600 0.605 0.000 0.944 1005 K CA -0.687 55.961 56.287 0.603 0.000 0.823 1005 K CB 0.739 33.632 32.500 0.655 0.000 1.113 1005 K HN 0.097 nan 8.250 nan 0.000 0.431 1006 W N 4.014 125.635 121.300 0.535 0.000 2.322 1006 W HA 0.070 4.731 4.660 0.003 0.000 0.328 1006 W C 0.129 177.129 176.519 0.802 0.000 1.395 1006 W CA -0.019 57.644 57.345 0.529 0.000 1.267 1006 W CB 0.008 29.715 29.460 0.411 0.000 1.259 1006 W HN 0.416 nan 8.180 nan 0.000 0.560 1007 F N 2.494 122.876 119.950 0.721 0.000 2.588 1007 F HA 0.632 5.161 4.527 0.003 0.000 0.314 1007 F C -1.430 174.458 175.800 0.148 0.000 1.069 1007 F CA -2.569 55.683 58.000 0.420 0.000 0.931 1007 F CB 0.793 39.821 39.000 0.046 0.000 1.260 1007 F HN 0.125 nan 8.300 nan 0.000 0.465 1008 F N 3.290 123.010 119.950 -0.383 0.000 2.411 1008 F HA 0.694 5.223 4.527 0.003 0.000 0.355 1008 F C -1.067 174.313 175.800 -0.700 0.000 1.117 1008 F CA -1.257 56.106 58.000 -1.062 0.000 1.139 1008 F CB 1.067 39.121 39.000 -1.577 0.000 1.120 1008 F HN 0.407 nan 8.300 nan 0.000 0.493 1009 V N 5.034 124.135 119.914 -1.355 0.000 2.483 1009 V HA 0.593 4.715 4.120 0.003 0.000 0.295 1009 V C -0.418 174.793 176.094 -1.473 0.000 1.035 1009 V CA -0.522 61.030 62.300 -1.246 0.000 0.896 1009 V CB 1.957 33.002 31.823 -1.295 0.000 0.986 1009 V HN 0.848 nan 8.190 nan 0.000 0.447 1010 T N 5.457 119.420 114.554 -0.985 0.000 2.991 1010 T HA 0.565 4.917 4.350 0.003 0.000 0.303 1010 T C -0.864 173.550 174.700 -0.477 0.000 1.015 1010 T CA -0.331 61.312 62.100 -0.762 0.000 1.007 1010 T CB 1.251 69.676 68.868 -0.738 0.000 1.034 1010 T HN 0.297 nan 8.240 nan 0.000 0.446 1011 I N 3.945 124.202 120.570 -0.522 0.000 2.378 1011 I HA 0.420 4.592 4.170 0.003 0.000 0.291 1011 I C 0.839 176.697 176.117 -0.432 0.000 0.992 1011 I CA -0.692 60.270 61.300 -0.564 0.000 1.154 1011 I CB 1.346 38.660 38.000 -1.143 0.000 1.315 1011 I HN 0.762 nan 8.210 nan 0.000 0.448 1012 T N 3.429 117.834 114.554 -0.247 0.000 2.859 1012 T HA 0.568 4.920 4.350 0.003 0.000 0.281 1012 T C -0.286 174.345 174.700 -0.115 0.000 1.005 1012 T CA -0.876 61.122 62.100 -0.170 0.000 1.025 1012 T CB 2.000 70.813 68.868 -0.092 0.000 0.977 1012 T HN 0.500 nan 8.240 nan 0.000 0.458 1013 N N 2.928 121.583 118.700 -0.075 0.000 2.295 1013 N HA 0.361 5.103 4.740 0.003 0.000 0.293 1013 N C -1.547 173.976 175.510 0.022 0.000 1.040 1013 N CA -0.677 52.374 53.050 0.001 0.000 0.840 1013 N CB 2.105 40.610 38.487 0.029 0.000 1.468 1013 N HN 0.670 nan 8.380 nan 0.000 0.478 1014 N N 2.328 121.056 118.700 0.046 0.000 2.480 1014 N HA 0.210 4.952 4.740 0.003 0.000 0.289 1014 N C 0.429 175.955 175.510 0.026 0.000 1.073 1014 N CA -0.439 52.634 53.050 0.040 0.000 0.885 1014 N CB 1.601 40.117 38.487 0.049 0.000 1.421 1014 N HN 0.429 nan 8.380 nan 0.000 0.503 1015 I N 3.667 124.257 120.570 0.033 0.000 2.700 1015 I HA -0.027 4.145 4.170 0.003 0.000 0.261 1015 I C 1.737 177.847 176.117 -0.012 0.000 1.219 1015 I CA 1.295 62.610 61.300 0.025 0.000 1.463 1015 I CB 0.079 38.112 38.000 0.056 0.000 1.092 1015 I HN 0.645 nan 8.210 nan 0.000 0.452 1016 M N -1.348 118.245 119.600 -0.011 0.000 2.595 1016 M HA 0.172 4.653 4.480 0.003 0.000 0.248 1016 M C 1.418 177.672 176.300 -0.076 0.000 1.119 1016 M CA 0.739 56.025 55.300 -0.024 0.000 1.079 1016 M CB 0.051 32.654 32.600 0.006 0.000 1.472 1016 M HN 0.394 nan 8.290 nan 0.000 0.501 1017 G N -1.116 107.598 108.800 -0.144 0.000 3.410 1017 G HA2 0.179 4.141 3.960 0.003 0.000 0.127 1017 G HA3 0.179 4.141 3.960 0.003 0.000 0.127 1017 G C -0.991 173.441 174.900 -0.780 0.000 1.332 1017 G CA -0.327 44.497 45.100 -0.461 0.000 1.156 1017 G HN 0.224 nan 8.290 nan 0.000 0.591 1018 Y N 0.836 121.150 120.300 0.024 0.000 2.576 1018 Y HA 0.713 5.264 4.550 0.003 0.000 0.346 1018 Y C 0.307 176.224 175.900 0.028 0.000 1.018 1018 Y CA -1.146 56.968 58.100 0.025 0.000 1.050 1018 Y CB 1.955 40.420 38.460 0.007 0.000 1.280 1018 Y HN 0.501 nan 8.280 nan 0.000 0.474 1019 M N 0.886 120.598 119.600 0.188 0.000 2.404 1019 M HA 0.768 5.250 4.480 0.003 0.000 0.338 1019 M C -1.689 174.655 176.300 0.074 0.000 1.150 1019 M CA -0.672 54.695 55.300 0.113 0.000 1.016 1019 M CB 2.175 34.864 32.600 0.149 0.000 1.672 1019 M HN 0.557 nan 8.290 nan 0.000 0.448 1020 K N 2.207 122.598 120.400 -0.014 0.000 2.422 1020 K HA 0.667 4.989 4.320 0.003 0.000 0.251 1020 K C -1.883 174.627 176.600 -0.149 0.000 0.933 1020 K CA -0.795 55.444 56.287 -0.081 0.000 0.798 1020 K CB 2.881 35.347 32.500 -0.057 0.000 1.238 1020 K HN 0.667 nan 8.250 nan 0.000 0.428 1021 L N 3.207 124.284 121.223 -0.245 0.000 2.305 1021 L HA 0.467 4.808 4.340 0.003 0.000 0.284 1021 L C -1.765 174.844 176.870 -0.434 0.000 1.013 1021 L CA -0.271 54.411 54.840 -0.264 0.000 0.819 1021 L CB 0.474 42.428 42.059 -0.176 0.000 1.227 1021 L HN 0.478 nan 8.230 nan 0.000 0.417 1022 Y N 5.536 125.592 120.300 -0.406 0.000 2.377 1022 Y HA 0.630 5.182 4.550 0.003 0.000 0.339 1022 Y C -0.145 175.410 175.900 -0.576 0.000 1.011 1022 Y CA -0.828 57.007 58.100 -0.441 0.000 1.093 1022 Y CB 1.762 39.969 38.460 -0.423 0.000 1.201 1022 Y HN 0.316 nan 8.280 nan 0.000 0.455 1023 I N 3.814 124.109 120.570 -0.458 0.000 2.418 1023 I HA 0.192 4.364 4.170 0.003 0.000 0.287 1023 I C -0.269 175.580 176.117 -0.446 0.000 1.008 1023 I CA -0.989 59.973 61.300 -0.563 0.000 1.104 1023 I CB 1.320 38.771 38.000 -0.915 0.000 1.264 1023 I HN 0.737 nan 8.210 nan 0.000 0.438 1024 N N 5.069 123.475 118.700 -0.491 0.000 2.721 1024 N HA -0.211 4.530 4.740 0.003 0.000 0.249 1024 N C 1.090 176.058 175.510 -0.902 0.000 1.072 1024 N CA 1.328 53.891 53.050 -0.812 0.000 0.710 1024 N CB -0.995 37.245 38.487 -0.411 0.000 0.993 1024 N HN 1.139 nan 8.380 nan 0.000 0.547 1025 G N -1.260 107.228 108.800 -0.520 0.000 2.176 1025 G HA2 -0.303 3.658 3.960 0.003 0.000 0.253 1025 G HA3 -0.303 3.658 3.960 0.003 0.000 0.253 1025 G C -0.305 174.564 174.900 -0.052 0.000 0.979 1025 G CA 0.519 45.464 45.100 -0.259 0.000 0.641 1025 G HN 0.553 nan 8.290 nan 0.000 0.530 1026 E N -0.287 119.866 120.200 -0.079 0.000 2.199 1026 E HA 0.524 4.876 4.350 0.003 0.000 0.265 1026 E C -0.296 176.190 176.600 -0.190 0.000 0.882 1026 E CA -1.129 55.236 56.400 -0.058 0.000 0.759 1026 E CB 2.250 31.889 29.700 -0.101 0.000 1.148 1026 E HN 0.176 nan 8.360 nan 0.000 0.412 1027 L N 3.676 124.700 121.223 -0.333 0.000 2.513 1027 L HA -0.018 4.324 4.340 0.003 0.000 0.272 1027 L C 0.550 177.168 176.870 -0.421 0.000 1.187 1027 L CA 0.818 55.209 54.840 -0.747 0.000 0.895 1027 L CB 0.266 41.910 42.059 -0.693 0.000 1.147 1027 L HN 0.480 nan 8.230 nan 0.000 0.483 1028 K N 2.899 123.049 120.400 -0.417 0.000 2.380 1028 K HA 0.296 4.617 4.320 0.003 0.000 0.200 1028 K C -0.158 176.359 176.600 -0.139 0.000 1.201 1028 K CA 0.367 56.523 56.287 -0.218 0.000 0.916 1028 K CB 0.513 32.881 32.500 -0.221 0.000 1.187 1028 K HN 0.596 nan 8.250 nan 0.000 0.498 1029 Q N -0.170 119.522 119.800 -0.180 0.000 2.418 1029 Q HA 0.380 4.722 4.340 0.003 0.000 0.282 1029 Q C -1.218 174.712 176.000 -0.117 0.000 1.044 1029 Q CA -0.393 55.356 55.803 -0.089 0.000 0.813 1029 Q CB 2.712 31.453 28.738 0.004 0.000 1.428 1029 Q HN -0.034 nan 8.270 nan 0.000 0.402 1030 S N 0.461 116.126 115.700 -0.059 0.000 2.569 1030 S HA 0.651 5.123 4.470 0.003 0.000 0.280 1030 S C -1.640 173.004 174.600 0.074 0.000 1.111 1030 S CA -0.349 57.837 58.200 -0.023 0.000 0.887 1030 S CB 1.790 64.928 63.200 -0.104 0.000 1.095 1030 S HN 0.562 nan 8.310 nan 0.000 0.476 1031 E N 1.341 121.640 120.200 0.164 0.000 2.321 1031 E HA 0.384 4.736 4.350 0.003 0.000 0.278 1031 E C -1.096 175.655 176.600 0.252 0.000 0.902 1031 E CA -0.549 55.965 56.400 0.190 0.000 0.758 1031 E CB 1.438 31.231 29.700 0.155 0.000 1.213 1031 E HN 0.609 nan 8.360 nan 0.000 0.426 1032 R N 4.079 124.698 120.500 0.198 0.000 2.442 1032 R HA 0.289 4.630 4.340 0.003 0.000 0.291 1032 R C 0.709 176.977 176.300 -0.054 0.000 1.069 1032 R CA 0.359 56.446 56.100 -0.022 0.000 1.022 1032 R CB 0.240 30.529 30.300 -0.019 0.000 0.976 1032 R HN 0.751 nan 8.270 nan 0.000 0.443 1033 I N 0.110 120.598 120.570 -0.136 0.000 4.439 1033 I HA 0.205 4.377 4.170 0.003 0.000 0.331 1033 I C 1.155 177.228 176.117 -0.073 0.000 1.345 1033 I CA -0.323 60.950 61.300 -0.045 0.000 1.193 1033 I CB 0.327 38.346 38.000 0.031 0.000 1.221 1033 I HN 0.643 nan 8.210 nan 0.000 0.429 1034 E N 2.722 122.825 120.200 -0.162 0.000 2.333 1034 E HA -0.230 4.122 4.350 0.003 0.000 0.198 1034 E C 1.081 177.638 176.600 -0.071 0.000 1.007 1034 E CA 1.650 57.975 56.400 -0.124 0.000 0.845 1034 E CB 0.120 29.709 29.700 -0.184 0.000 0.766 1034 E HN 0.733 nan 8.360 nan 0.000 0.507 1035 D N -0.296 120.065 120.400 -0.064 0.000 2.350 1035 D HA -0.034 4.608 4.640 0.003 0.000 0.213 1035 D C 0.884 177.174 176.300 -0.016 0.000 1.031 1035 D CA -0.103 53.876 54.000 -0.036 0.000 0.861 1035 D CB -0.160 40.619 40.800 -0.035 0.000 0.926 1035 D HN 0.184 nan 8.370 nan 0.000 0.520 1036 L N 1.116 122.335 121.223 -0.006 0.000 2.473 1036 L HA 0.068 4.409 4.340 0.003 0.000 0.268 1036 L C 1.052 177.933 176.870 0.018 0.000 1.215 1036 L CA -0.008 54.841 54.840 0.015 0.000 0.823 1036 L CB 0.447 42.529 42.059 0.039 0.000 1.099 1036 L HN -0.101 nan 8.230 nan 0.000 0.483 1037 D N 0.581 120.996 120.400 0.024 0.000 2.403 1037 D HA 0.110 4.752 4.640 0.003 0.000 0.278 1037 D C -0.234 176.090 176.300 0.040 0.000 1.230 1037 D CA -0.419 53.596 54.000 0.025 0.000 1.062 1037 D CB 0.350 41.163 40.800 0.021 0.000 1.119 1037 D HN 0.409 nan 8.370 nan 0.000 0.557 1038 E N -0.255 119.968 120.200 0.038 0.000 2.452 1038 E HA 0.168 4.520 4.350 0.003 0.000 0.261 1038 E C -0.695 175.956 176.600 0.084 0.000 0.987 1038 E CA 0.191 56.622 56.400 0.052 0.000 0.926 1038 E CB 0.604 30.324 29.700 0.033 0.000 0.934 1038 E HN -0.003 nan 8.360 nan 0.000 0.452 1039 V N 3.464 123.457 119.914 0.131 0.000 2.398 1039 V HA 0.218 4.340 4.120 0.003 0.000 0.286 1039 V C -0.161 176.082 176.094 0.248 0.000 1.026 1039 V CA -0.874 61.527 62.300 0.169 0.000 0.868 1039 V CB 1.481 33.416 31.823 0.187 0.000 0.982 1039 V HN 0.475 nan 8.190 nan 0.000 0.443 1040 K N 5.791 126.306 120.400 0.192 0.000 2.292 1040 K HA 0.506 4.827 4.320 0.003 0.000 0.270 1040 K C -0.763 175.954 176.600 0.195 0.000 1.062 1040 K CA -0.126 56.296 56.287 0.226 0.000 0.916 1040 K CB 0.317 32.894 32.500 0.127 0.000 1.166 1040 K HN 0.600 nan 8.250 nan 0.000 0.458 1041 L N 2.706 124.070 121.223 0.234 0.000 2.417 1041 L HA 0.297 4.639 4.340 0.003 0.000 0.268 1041 L C 0.230 177.145 176.870 0.075 0.000 1.158 1041 L CA -0.347 54.540 54.840 0.077 0.000 0.819 1041 L CB 0.822 42.779 42.059 -0.170 0.000 1.112 1041 L HN 0.688 nan 8.230 nan 0.000 0.458 1042 D N -0.236 120.178 120.400 0.023 0.000 2.269 1042 D HA 0.176 4.818 4.640 0.003 0.000 0.244 1042 D C 0.557 176.864 176.300 0.012 0.000 0.992 1042 D CA -0.647 53.353 54.000 -0.000 0.000 0.894 1042 D CB 1.376 42.135 40.800 -0.068 0.000 1.248 1042 D HN 0.471 nan 8.370 nan 0.000 0.468 1043 K N 0.250 120.662 120.400 0.021 0.000 2.432 1043 K HA 0.071 4.393 4.320 0.003 0.000 0.196 1043 K C -0.119 176.493 176.600 0.019 0.000 1.038 1043 K CA 0.450 56.759 56.287 0.036 0.000 0.986 1043 K CB 0.076 32.600 32.500 0.042 0.000 0.782 1043 K HN 0.205 nan 8.250 nan 0.000 0.485 1044 T N 2.154 116.691 114.554 -0.028 0.000 2.795 1044 T HA 0.487 4.839 4.350 0.003 0.000 0.282 1044 T C -0.344 174.277 174.700 -0.132 0.000 0.980 1044 T CA -0.568 61.498 62.100 -0.057 0.000 1.012 1044 T CB 1.263 70.088 68.868 -0.071 0.000 0.936 1044 T HN 0.100 nan 8.240 nan 0.000 0.457 1045 I N 2.805 123.306 120.570 -0.115 0.000 2.436 1045 I HA 0.430 4.601 4.170 0.003 0.000 0.289 1045 I C -0.715 175.257 176.117 -0.241 0.000 1.010 1045 I CA -1.076 60.070 61.300 -0.257 0.000 1.098 1045 I CB 2.019 39.940 38.000 -0.132 0.000 1.266 1045 I HN 0.257 nan 8.210 nan 0.000 0.434 1046 V N 6.604 126.304 119.914 -0.356 0.000 2.357 1046 V HA 0.384 4.505 4.120 0.003 0.000 0.284 1046 V C -0.477 175.424 176.094 -0.321 0.000 1.018 1046 V CA -0.503 61.661 62.300 -0.228 0.000 0.841 1046 V CB 1.128 32.846 31.823 -0.176 0.000 0.991 1046 V HN 0.360 nan 8.190 nan 0.000 0.437 1047 F N 3.145 122.991 119.950 -0.173 0.000 2.411 1047 F HA 0.808 5.337 4.527 0.003 0.000 0.350 1047 F C 0.907 176.659 175.800 -0.080 0.000 1.114 1047 F CA 0.119 58.044 58.000 -0.126 0.000 1.135 1047 F CB 1.682 40.591 39.000 -0.150 0.000 1.120 1047 F HN 0.716 nan 8.300 nan 0.000 0.495 1048 G N 3.090 111.949 108.800 0.098 0.000 2.337 1048 G HA2 0.268 4.230 3.960 0.003 0.000 0.310 1048 G HA3 0.268 4.230 3.960 0.003 0.000 0.310 1048 G C -1.799 173.118 174.900 0.028 0.000 1.534 1048 G CA -1.172 43.964 45.100 0.059 0.000 0.982 1048 G HN 0.521 nan 8.290 nan 0.000 0.672 1049 I N 1.286 121.874 120.570 0.030 0.000 2.321 1049 I HA 0.291 4.463 4.170 0.003 0.000 0.291 1049 I C 0.194 176.336 176.117 0.042 0.000 0.998 1049 I CA -0.680 60.650 61.300 0.050 0.000 1.227 1049 I CB 1.766 39.795 38.000 0.048 0.000 1.368 1049 I HN 0.468 nan 8.210 nan 0.000 0.466 1050 D N 3.555 123.980 120.400 0.043 0.000 2.301 1050 D HA -0.023 4.619 4.640 0.003 0.000 0.206 1050 D C 0.691 177.014 176.300 0.038 0.000 0.979 1050 D CA 0.617 54.630 54.000 0.021 0.000 0.874 1050 D CB 0.456 41.252 40.800 -0.006 0.000 0.968 1050 D HN 0.511 nan 8.370 nan 0.000 0.510 1051 E N 1.163 121.409 120.200 0.077 0.000 2.425 1051 E HA -0.027 4.325 4.350 0.003 0.000 0.258 1051 E C 0.418 177.080 176.600 0.104 0.000 1.151 1051 E CA -0.327 56.123 56.400 0.083 0.000 0.958 1051 E CB 0.377 30.135 29.700 0.098 0.000 0.968 1051 E HN -0.067 nan 8.360 nan 0.000 0.451 1052 N N 1.146 119.896 118.700 0.084 0.000 2.497 1052 N HA 0.148 4.890 4.740 0.003 0.000 0.268 1052 N C -0.571 175.012 175.510 0.122 0.000 1.171 1052 N CA -0.182 52.914 53.050 0.075 0.000 0.948 1052 N CB 0.040 38.556 38.487 0.049 0.000 1.069 1052 N HN 0.525 nan 8.380 nan 0.000 0.460 1053 I N -0.766 119.848 120.570 0.075 0.000 2.647 1053 I HA 0.537 4.708 4.170 0.003 0.000 0.295 1053 I C -0.628 175.498 176.117 0.015 0.000 1.078 1053 I CA -1.064 60.266 61.300 0.051 0.000 1.048 1053 I CB 1.985 39.975 38.000 -0.016 0.000 1.239 1053 I HN 0.149 nan 8.210 nan 0.000 0.421 1054 D N 3.712 124.118 120.400 0.010 0.000 2.371 1054 D HA 0.021 4.663 4.640 0.003 0.000 0.242 1054 D C 1.130 177.422 176.300 -0.014 0.000 1.218 1054 D CA -0.151 53.851 54.000 0.004 0.000 0.945 1054 D CB 0.896 41.702 40.800 0.010 0.000 1.137 1054 D HN 0.825 nan 8.370 nan 0.000 0.464 1055 E N 0.106 120.302 120.200 -0.006 0.000 2.160 1055 E HA -0.222 4.130 4.350 0.003 0.000 0.195 1055 E C 0.568 177.157 176.600 -0.019 0.000 0.991 1055 E CA 1.003 57.397 56.400 -0.010 0.000 0.810 1055 E CB -0.116 29.587 29.700 0.006 0.000 0.742 1055 E HN 0.194 nan 8.360 nan 0.000 0.466 1056 N N 0.709 119.401 118.700 -0.013 0.000 2.398 1056 N HA 0.020 4.762 4.740 0.003 0.000 0.188 1056 N C -0.367 175.118 175.510 -0.043 0.000 1.122 1056 N CA 0.324 53.366 53.050 -0.014 0.000 0.866 1056 N CB 0.457 38.943 38.487 -0.001 0.000 0.970 1056 N HN 0.335 nan 8.380 nan 0.000 0.462 1057 Q N 1.091 120.850 119.800 -0.068 0.000 2.360 1057 Q HA 0.450 4.792 4.340 0.003 0.000 0.254 1057 Q C 0.102 176.005 176.000 -0.162 0.000 0.975 1057 Q CA -0.045 55.690 55.803 -0.113 0.000 0.912 1057 Q CB 1.153 29.814 28.738 -0.129 0.000 1.212 1057 Q HN 0.241 nan 8.270 nan 0.000 0.452 1058 M N 0.951 120.432 119.600 -0.199 0.000 2.732 1058 M HA 0.696 5.178 4.480 0.003 0.000 0.272 1058 M C -2.098 173.982 176.300 -0.366 0.000 1.203 1058 M CA -1.241 53.856 55.300 -0.338 0.000 0.841 1058 M CB 1.697 34.012 32.600 -0.475 0.000 1.685 1058 M HN 0.441 nan 8.290 nan 0.000 0.492 1059 L N -1.716 119.208 121.223 -0.499 0.000 2.568 1059 L HA 0.878 5.220 4.340 0.003 0.000 0.257 1059 L C -2.190 174.410 176.870 -0.449 0.000 1.024 1059 L CA -0.394 54.261 54.840 -0.309 0.000 0.854 1059 L CB 1.953 43.955 42.059 -0.096 0.000 1.460 1059 L HN 0.868 nan 8.230 nan 0.000 0.409 1060 W N 1.511 122.682 121.300 -0.215 0.000 2.844 1060 W HA 0.785 5.446 4.660 0.003 0.000 0.340 1060 W C -1.042 175.357 176.519 -0.200 0.000 1.093 1060 W CA -0.649 56.566 57.345 -0.217 0.000 1.212 1060 W CB 2.297 31.573 29.460 -0.306 0.000 1.422 1060 W HN 0.425 nan 8.180 nan 0.000 0.515 1061 I N 2.402 122.932 120.570 -0.067 0.000 2.689 1061 I HA 0.510 4.681 4.170 0.003 0.000 0.299 1061 I C -0.157 175.962 176.117 0.003 0.000 1.059 1061 I CA -1.066 60.206 61.300 -0.047 0.000 1.055 1061 I CB 2.630 40.368 38.000 -0.437 0.000 1.243 1061 I HN 0.363 nan 8.210 nan 0.000 0.425 1062 R N 3.137 123.847 120.500 0.351 0.000 2.774 1062 R HA 0.446 4.787 4.340 0.003 0.000 0.272 1062 R C -1.303 175.221 176.300 0.372 0.000 1.000 1062 R CA -0.642 55.586 56.100 0.214 0.000 0.906 1062 R CB 1.595 31.854 30.300 -0.069 0.000 1.227 1062 R HN 0.619 nan 8.270 nan 0.000 0.468 1063 D N 0.940 121.520 120.400 0.300 0.000 2.699 1063 D HA -0.221 4.420 4.640 0.003 0.000 0.239 1063 D C -1.043 175.534 176.300 0.462 0.000 1.136 1063 D CA 1.026 55.228 54.000 0.337 0.000 0.668 1063 D CB -0.719 40.258 40.800 0.296 0.000 1.060 1063 D HN 0.404 nan 8.370 nan 0.000 0.429 1064 F N 1.520 121.687 119.950 0.361 0.000 2.506 1064 F HA 0.192 4.720 4.527 0.003 0.000 0.371 1064 F C 0.516 176.482 175.800 0.276 0.000 1.078 1064 F CA 0.079 58.315 58.000 0.394 0.000 1.195 1064 F CB 0.416 39.653 39.000 0.395 0.000 1.099 1064 F HN -0.136 nan 8.300 nan 0.000 0.548 1065 N N 6.806 125.320 118.700 -0.310 0.000 2.229 1065 N HA 0.524 5.266 4.740 0.003 0.000 0.298 1065 N C -1.255 173.960 175.510 -0.492 0.000 1.114 1065 N CA -0.486 52.377 53.050 -0.313 0.000 0.776 1065 N CB 2.406 40.742 38.487 -0.253 0.000 1.501 1065 N HN 0.487 nan 8.380 nan 0.000 0.474 1066 I N 1.494 121.814 120.570 -0.417 0.000 2.545 1066 I HA 0.471 4.643 4.170 0.003 0.000 0.292 1066 I C -0.984 174.885 176.117 -0.413 0.000 1.040 1066 I CA -0.660 60.471 61.300 -0.281 0.000 1.068 1066 I CB 1.329 39.287 38.000 -0.069 0.000 1.251 1066 I HN 0.262 nan 8.210 nan 0.000 0.424 1067 F N 2.138 122.036 119.950 -0.087 0.000 2.522 1067 F HA 0.272 4.800 4.527 0.002 0.000 0.324 1067 F C 1.058 176.816 175.800 -0.069 0.000 1.077 1067 F CA -0.700 57.264 58.000 -0.061 0.000 0.944 1067 F CB 2.036 40.994 39.000 -0.069 0.000 1.175 1067 F HN 0.422 nan 8.300 nan 0.000 0.468 1068 S N 0.489 116.263 115.700 0.123 0.000 2.685 1068 S HA 0.252 4.724 4.470 0.003 0.000 0.240 1068 S C -0.281 174.351 174.600 0.053 0.000 0.967 1068 S CA -0.455 57.774 58.200 0.048 0.000 1.009 1068 S CB -0.936 62.272 63.200 0.013 0.000 0.776 1068 S HN 0.711 nan 8.310 nan 0.000 0.467 1069 K N -0.103 120.337 120.400 0.068 0.000 2.533 1069 K HA 0.428 4.750 4.320 0.003 0.000 0.272 1069 K C -1.405 175.178 176.600 -0.028 0.000 0.985 1069 K CA -0.944 55.353 56.287 0.017 0.000 0.876 1069 K CB 1.052 33.559 32.500 0.012 0.000 1.452 1069 K HN 0.064 nan 8.250 nan 0.000 0.439 1070 E N 2.623 122.793 120.200 -0.051 0.000 2.105 1070 E HA 0.148 4.500 4.350 0.003 0.000 0.285 1070 E C -0.730 175.784 176.600 -0.142 0.000 1.055 1070 E CA -0.538 55.809 56.400 -0.089 0.000 0.843 1070 E CB 0.528 30.198 29.700 -0.049 0.000 1.067 1070 E HN 0.421 nan 8.360 nan 0.000 0.398 1071 L N 3.944 125.023 121.223 -0.240 0.000 2.416 1071 L HA 0.079 4.421 4.340 0.003 0.000 0.272 1071 L C 0.902 177.614 176.870 -0.263 0.000 1.161 1071 L CA -0.337 54.322 54.840 -0.301 0.000 0.845 1071 L CB 0.894 42.672 42.059 -0.469 0.000 1.119 1071 L HN 0.631 nan 8.230 nan 0.000 0.464 1072 S N 1.776 117.354 115.700 -0.203 0.000 2.589 1072 S HA 0.058 4.530 4.470 0.003 0.000 0.265 1072 S C 0.964 175.433 174.600 -0.218 0.000 1.342 1072 S CA -0.648 57.455 58.200 -0.161 0.000 1.005 1072 S CB 0.707 63.843 63.200 -0.107 0.000 0.909 1072 S HN 0.610 nan 8.310 nan 0.000 0.555 1073 N N 1.332 119.936 118.700 -0.160 0.000 2.094 1073 N HA -0.162 4.580 4.740 0.003 0.000 0.191 1073 N C 1.630 177.062 175.510 -0.131 0.000 1.023 1073 N CA 1.764 54.720 53.050 -0.156 0.000 0.857 1073 N CB -0.657 37.817 38.487 -0.022 0.000 1.013 1073 N HN 0.912 nan 8.380 nan 0.000 0.426 1074 E N 0.412 120.557 120.200 -0.093 0.000 2.077 1074 E HA -0.177 4.175 4.350 0.003 0.000 0.193 1074 E C 0.748 177.295 176.600 -0.088 0.000 0.989 1074 E CA 1.239 57.598 56.400 -0.069 0.000 0.800 1074 E CB 0.071 29.740 29.700 -0.051 0.000 0.746 1074 E HN 0.229 nan 8.360 nan 0.000 0.452 1075 D N 0.291 120.615 120.400 -0.128 0.000 2.144 1075 D HA -0.108 4.533 4.640 0.003 0.000 0.200 1075 D C 2.022 178.217 176.300 -0.175 0.000 0.978 1075 D CA 0.766 54.676 54.000 -0.150 0.000 0.833 1075 D CB -0.144 40.544 40.800 -0.187 0.000 0.961 1075 D HN 0.302 nan 8.370 nan 0.000 0.470 1076 I N 0.838 121.266 120.570 -0.237 0.000 2.208 1076 I HA -0.303 3.868 4.170 0.003 0.000 0.245 1076 I C 1.650 177.744 176.117 -0.038 0.000 1.097 1076 I CA 1.116 62.285 61.300 -0.219 0.000 1.363 1076 I CB -0.251 37.472 38.000 -0.461 0.000 1.051 1076 I HN -0.041 nan 8.210 nan 0.000 0.413 1077 N N 0.652 119.328 118.700 -0.039 0.000 2.331 1077 N HA -0.057 4.685 4.740 0.003 0.000 0.180 1077 N C 1.821 177.362 175.510 0.051 0.000 1.019 1077 N CA 0.908 53.997 53.050 0.065 0.000 0.881 1077 N CB -0.061 38.458 38.487 0.053 0.000 0.972 1077 N HN 0.298 nan 8.380 nan 0.000 0.435 1078 I N -0.249 120.315 120.570 -0.010 0.000 2.252 1078 I HA -0.220 3.951 4.170 0.003 0.000 0.245 1078 I C 1.762 177.861 176.117 -0.030 0.000 1.102 1078 I CA 0.765 62.051 61.300 -0.023 0.000 1.385 1078 I CB -0.222 37.758 38.000 -0.034 0.000 1.064 1078 I HN -0.003 nan 8.210 nan 0.000 0.414 1079 V N 0.412 120.308 119.914 -0.029 0.000 2.295 1079 V HA -0.335 3.787 4.120 0.003 0.000 0.246 1079 V C 2.324 178.314 176.094 -0.174 0.000 1.049 1079 V CA 2.078 64.360 62.300 -0.029 0.000 1.024 1079 V CB -0.928 30.931 31.823 0.060 0.000 0.648 1079 V HN 0.397 nan 8.190 nan 0.000 0.447 1080 Y N 1.518 121.548 120.300 -0.450 0.000 2.081 1080 Y HA -0.262 4.289 4.550 0.003 0.000 0.280 1080 Y C 2.585 178.360 175.900 -0.209 0.000 1.163 1080 Y CA 2.129 59.822 58.100 -0.679 0.000 1.135 1080 Y CB -0.431 37.796 38.460 -0.388 0.000 0.970 1080 Y HN 0.366 nan 8.280 nan 0.000 0.498 1081 E N -0.722 119.338 120.200 -0.233 0.000 2.150 1081 E HA -0.115 4.236 4.350 0.003 0.000 0.193 1081 E C 2.396 178.886 176.600 -0.184 0.000 0.985 1081 E CA 0.775 57.009 56.400 -0.276 0.000 0.814 1081 E CB -0.473 29.141 29.700 -0.142 0.000 0.752 1081 E HN 0.648 nan 8.360 nan 0.000 0.466 1082 G N 1.413 110.139 108.800 -0.123 0.000 2.421 1082 G HA2 -0.283 3.679 3.960 0.003 0.000 0.216 1082 G HA3 -0.283 3.679 3.960 0.003 0.000 0.216 1082 G C 1.440 176.272 174.900 -0.115 0.000 1.171 1082 G CA 0.430 45.477 45.100 -0.089 0.000 0.775 1082 G HN 0.204 nan 8.290 nan 0.000 0.543 1083 Q N -0.706 119.026 119.800 -0.114 0.000 2.424 1083 Q HA 0.317 4.658 4.340 0.003 0.000 0.204 1083 Q C 2.181 177.937 176.000 -0.408 0.000 0.933 1083 Q CA -0.187 55.517 55.803 -0.165 0.000 0.929 1083 Q CB 0.259 29.027 28.738 0.050 0.000 1.037 1083 Q HN 0.531 nan 8.270 nan 0.000 0.511 1084 I N 0.646 121.045 120.570 -0.285 0.000 2.928 1084 I HA -0.097 4.074 4.170 0.003 0.000 0.266 1084 I C -0.350 175.596 176.117 -0.285 0.000 1.234 1084 I CA 0.458 61.533 61.300 -0.376 0.000 1.483 1084 I CB 0.373 38.247 38.000 -0.210 0.000 1.097 1084 I HN 0.231 nan 8.210 nan 0.000 0.455 1085 L N 1.198 122.292 121.223 -0.215 0.000 3.523 1085 L HA -0.239 4.103 4.340 0.003 0.000 0.668 1085 L C 1.033 177.849 176.870 -0.090 0.000 1.211 1085 L CA -0.015 54.748 54.840 -0.129 0.000 1.096 1085 L CB -1.309 40.693 42.059 -0.095 0.000 1.617 1085 L HN 0.393 nan 8.230 nan 0.000 0.873 1086 R N 0.537 120.985 120.500 -0.086 0.000 2.241 1086 R HA -0.095 4.247 4.340 0.003 0.000 0.224 1086 R C 1.455 177.731 176.300 -0.040 0.000 1.101 1086 R CA 1.223 57.287 56.100 -0.060 0.000 0.995 1086 R CB -0.062 30.201 30.300 -0.062 0.000 0.870 1086 R HN 0.619 nan 8.270 nan 0.000 0.463 1087 N N 0.259 118.933 118.700 -0.043 0.000 2.459 1087 N HA -0.045 4.697 4.740 0.003 0.000 0.181 1087 N C 0.126 175.612 175.510 -0.039 0.000 1.046 1087 N CA 0.572 53.602 53.050 -0.034 0.000 0.904 1087 N CB 0.270 38.737 38.487 -0.034 0.000 0.964 1087 N HN -0.067 nan 8.380 nan 0.000 0.444 1088 V N 2.768 122.653 119.914 -0.048 0.000 2.370 1088 V HA 0.245 4.367 4.120 0.003 0.000 0.283 1088 V C 0.331 176.389 176.094 -0.060 0.000 1.023 1088 V CA -0.903 61.357 62.300 -0.067 0.000 0.857 1088 V CB 1.774 33.550 31.823 -0.078 0.000 0.985 1088 V HN -0.019 nan 8.190 nan 0.000 0.443 1089 I N 5.055 125.573 120.570 -0.087 0.000 2.754 1089 I HA 0.279 4.451 4.170 0.003 0.000 0.285 1089 I C 0.428 176.493 176.117 -0.087 0.000 1.166 1089 I CA -0.085 61.171 61.300 -0.075 0.000 1.417 1089 I CB 0.575 38.496 38.000 -0.132 0.000 1.382 1089 I HN 0.513 nan 8.210 nan 0.000 0.588 1090 K N 3.681 124.067 120.400 -0.023 0.000 2.208 1090 K HA 0.331 4.653 4.320 0.003 0.000 0.247 1090 K C -0.416 176.162 176.600 -0.035 0.000 0.953 1090 K CA -0.771 55.485 56.287 -0.051 0.000 0.837 1090 K CB 1.478 33.946 32.500 -0.053 0.000 1.131 1090 K HN 0.558 nan 8.250 nan 0.000 0.431 1091 D N -0.520 119.852 120.400 -0.047 0.000 2.447 1091 D HA -0.068 4.573 4.640 0.003 0.000 0.265 1091 D C 1.197 177.508 176.300 0.019 0.000 1.250 1091 D CA -0.177 53.837 54.000 0.022 0.000 1.046 1091 D CB 0.028 40.931 40.800 0.172 0.000 1.095 1091 D HN 0.521 nan 8.370 nan 0.000 0.555 1092 Y N -0.627 119.551 120.300 -0.203 0.000 2.256 1092 Y HA -0.131 4.420 4.550 0.003 0.000 0.288 1092 Y C 1.449 177.133 175.900 -0.360 0.000 1.155 1092 Y CA 1.390 59.248 58.100 -0.403 0.000 1.203 1092 Y CB -0.142 37.830 38.460 -0.813 0.000 0.980 1092 Y HN 0.443 nan 8.280 nan 0.000 0.530 1093 W N -0.734 120.634 121.300 0.113 0.000 3.256 1093 W HA 0.322 4.983 4.660 0.003 0.000 0.269 1093 W C 1.780 178.274 176.519 -0.041 0.000 1.310 1093 W CA 0.565 57.946 57.345 0.060 0.000 1.673 1093 W CB -0.034 29.483 29.460 0.097 0.000 1.115 1093 W HN 0.170 nan 8.180 nan 0.000 0.686 1094 G N 0.407 108.999 108.800 -0.345 0.000 2.157 1094 G HA2 -0.288 3.674 3.960 0.003 0.000 0.248 1094 G HA3 -0.288 3.674 3.960 0.003 0.000 0.248 1094 G C 0.186 175.026 174.900 -0.100 0.000 0.979 1094 G CA -0.349 44.165 45.100 -0.977 0.000 0.650 1094 G HN 0.178 nan 8.290 nan 0.000 0.529 1095 N N 1.277 120.071 118.700 0.156 0.000 2.467 1095 N HA 0.426 5.168 4.740 0.003 0.000 0.262 1095 N C -2.679 172.776 175.510 -0.092 0.000 1.234 1095 N CA -1.292 51.815 53.050 0.095 0.000 0.952 1095 N CB 0.477 39.060 38.487 0.160 0.000 1.158 1095 N HN 0.057 nan 8.380 nan 0.000 0.463 1096 P HA 0.030 nan 4.420 nan 0.000 0.265 1096 P C -0.041 177.187 177.300 -0.120 0.000 1.193 1096 P CA -0.249 62.718 63.100 -0.222 0.000 0.765 1096 P CB 0.456 31.962 31.700 -0.322 0.000 0.823 1097 L N 4.814 125.946 121.223 -0.153 0.000 2.397 1097 L HA 0.232 4.574 4.340 0.003 0.000 0.271 1097 L C 0.228 176.981 176.870 -0.196 0.000 1.148 1097 L CA 0.773 55.495 54.840 -0.196 0.000 0.825 1097 L CB 0.038 41.861 42.059 -0.395 0.000 1.117 1097 L HN 0.288 nan 8.230 nan 0.000 0.456 1098 K N 3.850 124.213 120.400 -0.061 0.000 2.426 1098 K HA 0.431 4.753 4.320 0.003 0.000 0.251 1098 K C -1.049 175.444 176.600 -0.180 0.000 0.941 1098 K CA -0.746 55.472 56.287 -0.115 0.000 0.808 1098 K CB 1.562 34.099 32.500 0.062 0.000 1.265 1098 K HN 0.180 nan 8.250 nan 0.000 0.432 1099 F N 1.827 121.720 119.950 -0.095 0.000 2.545 1099 F HA -0.067 4.461 4.527 0.003 0.000 0.348 1099 F C 0.944 176.529 175.800 -0.359 0.000 1.163 1099 F CA 1.037 58.919 58.000 -0.196 0.000 1.331 1099 F CB 0.145 39.019 39.000 -0.210 0.000 1.138 1099 F HN 0.823 nan 8.300 nan 0.000 0.602 1100 D N -1.710 118.577 120.400 -0.187 0.000 2.304 1100 D HA -0.215 4.426 4.640 0.003 0.000 0.162 1100 D C 0.226 176.321 176.300 -0.343 0.000 1.458 1100 D CA 1.746 55.476 54.000 -0.450 0.000 1.334 1100 D CB -1.237 38.900 40.800 -1.106 0.000 1.250 1100 D HN 0.533 nan 8.370 nan 0.000 0.458 1101 T N 1.542 115.942 114.554 -0.257 0.000 2.940 1101 T HA 0.141 4.493 4.350 0.003 0.000 0.309 1101 T C 0.257 174.667 174.700 -0.484 0.000 1.056 1101 T CA 0.216 62.150 62.100 -0.276 0.000 1.137 1101 T CB 0.768 69.424 68.868 -0.354 0.000 0.976 1101 T HN 0.054 nan 8.240 nan 0.000 0.547 1102 E N 1.729 121.676 120.200 -0.422 0.000 2.316 1102 E HA 0.231 4.582 4.350 0.003 0.000 0.275 1102 E C -1.085 175.147 176.600 -0.613 0.000 1.029 1102 E CA -0.011 56.155 56.400 -0.391 0.000 0.871 1102 E CB 0.518 30.047 29.700 -0.285 0.000 1.022 1102 E HN 0.512 nan 8.360 nan 0.000 0.418 1103 Y N 1.117 121.362 120.300 -0.092 0.000 2.442 1103 Y HA 0.222 4.773 4.550 0.003 0.000 0.344 1103 Y C -0.800 175.026 175.900 -0.123 0.000 0.976 1103 Y CA -1.000 57.092 58.100 -0.013 0.000 1.040 1103 Y CB 1.033 39.638 38.460 0.242 0.000 1.228 1103 Y HN 0.420 nan 8.280 nan 0.000 0.451 1104 Y N 3.339 123.795 120.300 0.261 0.000 2.539 1104 Y HA 0.218 4.770 4.550 0.003 0.000 0.352 1104 Y C 0.519 176.478 175.900 0.099 0.000 1.004 1104 Y CA -0.337 57.849 58.100 0.142 0.000 1.278 1104 Y CB 0.419 38.919 38.460 0.067 0.000 1.136 1104 Y HN 0.501 nan 8.280 nan 0.000 0.528 1105 M N 6.962 126.671 119.600 0.181 0.000 2.184 1105 M HA 0.432 4.913 4.480 0.003 0.000 0.351 1105 M C -0.889 175.404 176.300 -0.012 0.000 1.395 1105 M CA -0.154 55.121 55.300 -0.042 0.000 1.117 1105 M CB 0.055 32.614 32.600 -0.070 0.000 1.708 1105 M HN 0.696 nan 8.290 nan 0.000 0.468 1106 I N 2.087 122.612 120.570 -0.075 0.000 2.785 1106 I HA 0.512 4.684 4.170 0.003 0.000 0.302 1106 I C -0.687 175.452 176.117 0.036 0.000 1.069 1106 I CA -0.992 60.314 61.300 0.011 0.000 1.045 1106 I CB 1.825 39.776 38.000 -0.083 0.000 1.236 1106 I HN 0.616 nan 8.210 nan 0.000 0.429 1107 N N 2.760 121.418 118.700 -0.070 0.000 2.529 1107 N HA 0.034 4.776 4.740 0.003 0.000 0.278 1107 N C 0.498 175.837 175.510 -0.285 0.000 1.146 1107 N CA -0.011 52.737 53.050 -0.503 0.000 0.980 1107 N CB 0.927 39.081 38.487 -0.554 0.000 1.124 1107 N HN 0.866 nan 8.380 nan 0.000 0.458 1108 Y N 4.272 124.325 120.300 -0.413 0.000 2.181 1108 Y HA -0.266 4.285 4.550 0.003 0.000 0.284 1108 Y C 1.472 177.176 175.900 -0.327 0.000 1.179 1108 Y CA 2.001 59.947 58.100 -0.257 0.000 1.179 1108 Y CB 0.028 38.385 38.460 -0.172 0.000 0.973 1108 Y HN 0.618 nan 8.280 nan 0.000 0.519 1109 N N -1.334 117.156 118.700 -0.349 0.000 2.457 1109 N HA -0.086 4.656 4.740 0.003 0.000 0.180 1109 N C -0.771 174.218 175.510 -0.867 0.000 1.050 1109 N CA 0.872 53.505 53.050 -0.695 0.000 0.906 1109 N CB -0.068 37.753 38.487 -1.110 0.000 0.968 1109 N HN 0.367 nan 8.380 nan 0.000 0.445 1110 Y N -0.165 120.064 120.300 -0.119 0.000 2.511 1110 Y HA 0.376 4.928 4.550 0.003 0.000 0.356 1110 Y C 0.956 176.778 175.900 -0.130 0.000 1.002 1110 Y CA -0.821 57.203 58.100 -0.127 0.000 1.127 1110 Y CB -0.025 38.355 38.460 -0.135 0.000 1.137 1110 Y HN -0.111 nan 8.280 nan 0.000 0.652 1111 I N 0.930 121.468 120.570 -0.054 0.000 2.756 1111 I HA -0.187 3.984 4.170 0.003 0.000 0.262 1111 I C 1.119 177.192 176.117 -0.073 0.000 1.225 1111 I CA 1.448 62.681 61.300 -0.111 0.000 1.472 1111 I CB 0.277 38.182 38.000 -0.158 0.000 1.094 1111 I HN 0.424 nan 8.210 nan 0.000 0.454 1112 D N 0.170 120.572 120.400 0.003 0.000 2.368 1112 D HA 0.051 4.693 4.640 0.003 0.000 0.218 1112 D C 0.370 176.715 176.300 0.075 0.000 1.112 1112 D CA -0.134 53.894 54.000 0.047 0.000 0.834 1112 D CB -0.015 40.827 40.800 0.069 0.000 0.953 1112 D HN 0.262 nan 8.370 nan 0.000 0.505 1113 R N 0.085 120.610 120.500 0.042 0.000 2.778 1113 R HA 0.491 4.833 4.340 0.003 0.000 0.277 1113 R C -0.849 175.515 176.300 0.106 0.000 0.977 1113 R CA -0.977 55.135 56.100 0.021 0.000 0.950 1113 R CB 1.575 31.800 30.300 -0.124 0.000 1.165 1113 R HN 0.129 nan 8.270 nan 0.000 0.474 1114 Y N -0.972 119.361 120.300 0.054 0.000 2.587 1114 Y HA 0.635 5.187 4.550 0.003 0.000 0.337 1114 Y C -0.375 175.568 175.900 0.073 0.000 1.065 1114 Y CA -1.442 56.703 58.100 0.077 0.000 1.126 1114 Y CB 0.845 39.370 38.460 0.109 0.000 1.279 1114 Y HN 0.343 nan 8.280 nan 0.000 0.489 1115 I N 2.810 123.506 120.570 0.210 0.000 2.371 1115 I HA 0.587 4.758 4.170 0.003 0.000 0.290 1115 I C -0.136 176.059 176.117 0.130 0.000 1.028 1115 I CA -0.474 60.868 61.300 0.071 0.000 1.345 1115 I CB 0.816 38.843 38.000 0.044 0.000 1.407 1115 I HN 0.824 nan 8.210 nan 0.000 0.501 1116 A N 8.931 131.743 122.820 -0.014 0.000 2.449 1116 A HA 0.803 5.125 4.320 0.003 0.000 0.302 1116 A C -2.756 174.778 177.584 -0.083 0.000 1.048 1116 A CA -1.588 50.464 52.037 0.025 0.000 0.708 1116 A CB 1.621 20.664 19.000 0.070 0.000 1.274 1116 A HN 0.416 nan 8.150 nan 0.000 0.410 1117 P HA 0.340 nan 4.420 nan 0.000 0.281 1117 P C -1.069 176.207 177.300 -0.039 0.000 1.252 1117 P CA -0.100 62.870 63.100 -0.215 0.000 0.778 1117 P CB 1.011 32.412 31.700 -0.498 0.000 0.895 1118 K N 3.329 123.784 120.400 0.091 0.000 2.601 1118 K HA 0.215 4.537 4.320 0.003 0.000 0.249 1118 K C -0.390 176.421 176.600 0.352 0.000 0.966 1118 K CA -0.489 55.925 56.287 0.213 0.000 0.827 1118 K CB 0.463 33.154 32.500 0.318 0.000 1.178 1118 K HN 0.236 nan 8.250 nan 0.000 0.437 1119 N N 4.085 122.906 118.700 0.202 0.000 2.714 1119 N HA -0.228 4.514 4.740 0.003 0.000 0.252 1119 N C -0.874 174.846 175.510 0.350 0.000 1.014 1119 N CA 1.415 54.599 53.050 0.225 0.000 0.735 1119 N CB -0.952 37.597 38.487 0.103 0.000 0.924 1119 N HN 0.952 nan 8.380 nan 0.000 0.540 1120 N N -2.751 116.062 118.700 0.189 0.000 2.979 1120 N HA -0.206 4.535 4.740 0.003 0.000 0.234 1120 N C 0.164 175.723 175.510 0.082 0.000 0.938 1120 N CA 1.641 54.761 53.050 0.116 0.000 0.961 1120 N CB -1.428 37.142 38.487 0.138 0.000 1.089 1120 N HN 0.811 nan 8.380 nan 0.000 0.576 1121 I N -3.361 117.270 120.570 0.101 0.000 3.322 1121 I HA 0.643 4.815 4.170 0.003 0.000 0.313 1121 I C -0.428 175.645 176.117 -0.074 0.000 1.129 1121 I CA -1.158 60.117 61.300 -0.041 0.000 0.963 1121 I CB 1.552 39.443 38.000 -0.181 0.000 1.273 1121 I HN -0.162 nan 8.210 nan 0.000 0.473 1122 L N 3.121 124.264 121.223 -0.135 0.000 2.309 1122 L HA 0.776 5.118 4.340 0.003 0.000 0.282 1122 L C -0.237 176.547 176.870 -0.144 0.000 1.036 1122 L CA -0.920 53.842 54.840 -0.130 0.000 0.806 1122 L CB 1.658 43.632 42.059 -0.141 0.000 1.220 1122 L HN 0.630 nan 8.230 nan 0.000 0.429 1123 V N 0.745 120.598 119.914 -0.102 0.000 3.158 1123 V HA 0.575 4.697 4.120 0.003 0.000 0.311 1123 V C -0.708 175.327 176.094 -0.098 0.000 1.181 1123 V CA -1.043 61.197 62.300 -0.100 0.000 1.054 1123 V CB 2.236 34.028 31.823 -0.052 0.000 1.085 1123 V HN 0.534 nan 8.190 nan 0.000 0.446 1124 L N 1.858 123.025 121.223 -0.093 0.000 2.265 1124 L HA 0.676 5.018 4.340 0.003 0.000 0.289 1124 L C -0.671 176.053 176.870 -0.242 0.000 1.033 1124 L CA -0.642 54.104 54.840 -0.156 0.000 0.814 1124 L CB 1.474 43.460 42.059 -0.122 0.000 1.203 1124 L HN 0.494 nan 8.230 nan 0.000 0.423 1125 V N 2.927 122.582 119.914 -0.431 0.000 2.483 1125 V HA 0.227 4.349 4.120 0.003 0.000 0.295 1125 V C 0.148 176.033 176.094 -0.348 0.000 1.035 1125 V CA -0.624 61.406 62.300 -0.449 0.000 0.896 1125 V CB 1.872 33.284 31.823 -0.685 0.000 0.986 1125 V HN 0.754 nan 8.190 nan 0.000 0.447 1126 Q N 2.457 122.176 119.800 -0.134 0.000 2.289 1126 Q HA 0.133 4.475 4.340 0.003 0.000 0.273 1126 Q C -0.959 175.200 176.000 0.264 0.000 1.029 1126 Q CA -0.230 55.587 55.803 0.023 0.000 0.896 1126 Q CB 0.472 29.203 28.738 -0.013 0.000 1.182 1126 Q HN 0.696 nan 8.270 nan 0.000 0.385 1127 Y N 2.579 123.035 120.300 0.261 0.000 2.480 1127 Y HA -0.071 4.481 4.550 0.003 0.000 0.338 1127 Y C 1.311 177.339 175.900 0.214 0.000 1.220 1127 Y CA 0.768 59.065 58.100 0.328 0.000 1.430 1127 Y CB 0.931 39.528 38.460 0.228 0.000 1.311 1127 Y HN 0.850 nan 8.280 nan 0.000 0.575 1128 S N 1.269 116.737 115.700 -0.387 0.000 2.399 1128 S HA -0.148 4.323 4.470 0.003 0.000 0.231 1128 S C 0.422 174.906 174.600 -0.193 0.000 1.022 1128 S CA 1.162 59.206 58.200 -0.260 0.000 0.983 1128 S CB -0.186 62.849 63.200 -0.276 0.000 0.803 1128 S HN 0.723 nan 8.310 nan 0.000 0.480 1129 D N 0.400 120.657 120.400 -0.239 0.000 2.443 1129 D HA 0.348 4.990 4.640 0.003 0.000 0.221 1129 D C 0.403 176.838 176.300 0.226 0.000 1.097 1129 D CA -0.643 53.408 54.000 0.084 0.000 0.865 1129 D CB 0.739 41.693 40.800 0.257 0.000 1.034 1129 D HN 0.068 nan 8.370 nan 0.000 0.511 1130 I N 2.602 123.261 120.570 0.148 0.000 2.916 1130 I HA -0.187 3.985 4.170 0.003 0.000 0.267 1130 I C 2.163 178.383 176.117 0.172 0.000 1.263 1130 I CA 0.947 62.338 61.300 0.152 0.000 1.471 1130 I CB -0.163 37.893 38.000 0.093 0.000 1.089 1130 I HN 0.390 nan 8.210 nan 0.000 0.468 1131 S N -1.335 114.474 115.700 0.181 0.000 2.556 1131 S HA 0.187 4.659 4.470 0.003 0.000 0.216 1131 S C 0.744 175.486 174.600 0.238 0.000 0.970 1131 S CA -0.384 57.935 58.200 0.198 0.000 0.912 1131 S CB -0.173 63.118 63.200 0.151 0.000 0.790 1131 S HN 0.197 nan 8.310 nan 0.000 0.504 1132 K N 0.720 121.246 120.400 0.209 0.000 2.159 1132 K HA 0.496 4.818 4.320 0.003 0.000 0.266 1132 K C 0.236 176.778 176.600 -0.096 0.000 0.975 1132 K CA -0.480 55.874 56.287 0.111 0.000 0.865 1132 K CB 1.658 34.253 32.500 0.158 0.000 1.087 1132 K HN 0.077 nan 8.250 nan 0.000 0.446 1133 L N 1.763 122.811 121.223 -0.292 0.000 2.249 1133 L HA 0.049 4.391 4.340 0.003 0.000 0.207 1133 L C 0.071 176.582 176.870 -0.598 0.000 1.090 1133 L CA 0.604 55.098 54.840 -0.577 0.000 0.802 1133 L CB 0.065 41.577 42.059 -0.912 0.000 0.947 1133 L HN 0.549 nan 8.230 nan 0.000 0.453 1134 Y N 0.992 120.979 120.300 -0.521 0.000 2.477 1134 Y HA 0.204 4.756 4.550 0.003 0.000 0.349 1134 Y C 1.182 176.466 175.900 -1.026 0.000 0.977 1134 Y CA -1.236 56.289 58.100 -0.959 0.000 1.214 1134 Y CB -0.027 38.130 38.460 -0.504 0.000 1.124 1134 Y HN 0.030 nan 8.280 nan 0.000 0.521 1135 T N 0.003 113.807 114.554 -1.250 0.000 2.589 1135 T HA 0.529 4.881 4.350 0.003 0.000 0.178 1135 T C -0.008 174.336 174.700 -0.593 0.000 0.708 1135 T CA -0.381 60.993 62.100 -1.209 0.000 1.734 1135 T CB 0.781 69.150 68.868 -0.832 0.000 2.792 1135 T HN 0.303 nan 8.240 nan 0.000 0.406 1136 K N 0.499 120.717 120.400 -0.303 0.000 2.509 1136 K HA 0.483 4.805 4.320 0.003 0.000 0.266 1136 K C -1.200 175.485 176.600 0.141 0.000 0.987 1136 K CA -1.017 55.185 56.287 -0.143 0.000 0.868 1136 K CB 1.394 33.543 32.500 -0.584 0.000 1.421 1136 K HN 0.444 nan 8.250 nan 0.000 0.444 1137 N N 0.898 119.676 118.700 0.130 0.000 2.696 1137 N HA -0.111 4.631 4.740 0.003 0.000 0.256 1137 N C -2.614 172.975 175.510 0.133 0.000 1.031 1137 N CA 0.450 53.611 53.050 0.185 0.000 0.730 1137 N CB -1.517 37.146 38.487 0.294 0.000 0.894 1137 N HN 0.457 nan 8.380 nan 0.000 0.544 1138 P HA 0.116 nan 4.420 nan 0.000 0.269 1138 P C 0.506 177.794 177.300 -0.020 0.000 1.209 1138 P CA -0.245 62.725 63.100 -0.217 0.000 0.776 1138 P CB 0.585 31.928 31.700 -0.594 0.000 0.876 1139 I N -0.685 119.920 120.570 0.059 0.000 2.924 1139 I HA 0.738 4.910 4.170 0.003 0.000 0.316 1139 I C 0.304 176.511 176.117 0.149 0.000 1.014 1139 I CA -0.735 60.658 61.300 0.154 0.000 1.106 1139 I CB 0.904 39.044 38.000 0.235 0.000 1.311 1139 I HN 0.383 nan 8.210 nan 0.000 0.502 1140 T N 0.834 115.489 114.554 0.167 0.000 2.924 1140 T HA 0.788 5.140 4.350 0.003 0.000 0.291 1140 T C -0.392 174.375 174.700 0.112 0.000 1.045 1140 T CA -0.662 61.499 62.100 0.101 0.000 1.015 1140 T CB 1.249 70.118 68.868 0.001 0.000 1.103 1140 T HN 0.565 nan 8.240 nan 0.000 0.496 1141 I N 1.946 122.539 120.570 0.039 0.000 2.377 1141 I HA 0.468 4.640 4.170 0.003 0.000 0.293 1141 I C -0.005 176.128 176.117 0.026 0.000 0.987 1141 I CA -1.085 60.179 61.300 -0.060 0.000 1.185 1141 I CB 1.585 39.469 38.000 -0.194 0.000 1.341 1141 I HN 0.374 nan 8.210 nan 0.000 0.455 1142 K N 3.686 124.030 120.400 -0.094 0.000 2.259 1142 K HA 0.416 4.737 4.320 0.003 0.000 0.249 1142 K C -0.584 175.891 176.600 -0.208 0.000 0.942 1142 K CA -0.695 55.478 56.287 -0.189 0.000 0.816 1142 K CB 2.237 34.484 32.500 -0.420 0.000 1.155 1142 K HN 0.519 nan 8.250 nan 0.000 0.428 1143 S N 0.773 116.108 115.700 -0.609 0.000 2.499 1143 S HA 0.300 4.772 4.470 0.003 0.000 0.275 1143 S C 0.808 175.209 174.600 -0.332 0.000 1.257 1143 S CA -0.310 57.482 58.200 -0.680 0.000 1.050 1143 S CB 0.608 63.101 63.200 -1.179 0.000 0.937 1143 S HN 0.594 nan 8.310 nan 0.000 0.490 1144 A N 3.901 126.607 122.820 -0.190 0.000 2.238 1144 A HA 0.476 4.798 4.320 0.003 0.000 0.208 1144 A C 1.480 178.987 177.584 -0.128 0.000 1.177 1144 A CA 0.678 52.637 52.037 -0.130 0.000 0.804 1144 A CB -0.267 18.689 19.000 -0.075 0.000 0.823 1144 A HN 1.108 nan 8.150 nan 0.000 0.482 1145 A N -0.804 121.919 122.820 -0.161 0.000 2.589 1145 A HA 0.403 4.725 4.320 0.003 0.000 0.283 1145 A C 0.626 178.116 177.584 -0.158 0.000 1.187 1145 A CA 0.332 52.292 52.037 -0.129 0.000 0.957 1145 A CB -0.638 18.308 19.000 -0.090 0.000 1.175 1145 A HN 0.586 nan 8.150 nan 0.000 0.532 1146 N N -0.275 118.299 118.700 -0.210 0.000 2.776 1146 N HA -0.146 4.596 4.740 0.003 0.000 0.250 1146 N C -0.430 174.946 175.510 -0.223 0.000 1.112 1146 N CA 0.558 53.486 53.050 -0.202 0.000 0.733 1146 N CB -0.806 37.601 38.487 -0.134 0.000 1.097 1146 N HN 0.637 nan 8.380 nan 0.000 0.558 1147 K N 0.711 120.918 120.400 -0.322 0.000 2.276 1147 K HA 0.082 4.404 4.320 0.003 0.000 0.259 1147 K C 0.239 176.678 176.600 -0.268 0.000 1.001 1147 K CA -0.051 56.067 56.287 -0.282 0.000 0.927 1147 K CB 0.278 32.583 32.500 -0.325 0.000 0.969 1147 K HN 0.242 nan 8.250 nan 0.000 0.490 1148 N N 1.806 120.429 118.700 -0.129 0.000 2.453 1148 N HA 0.051 4.793 4.740 0.003 0.000 0.253 1148 N C -2.553 172.928 175.510 -0.048 0.000 1.252 1148 N CA -1.108 51.900 53.050 -0.070 0.000 0.917 1148 N CB 0.171 38.654 38.487 -0.007 0.000 1.117 1148 N HN 0.243 nan 8.380 nan 0.000 0.442 1149 P HA -0.093 nan 4.420 nan 0.000 0.262 1149 P C -0.682 176.718 177.300 0.168 0.000 1.182 1149 P CA 0.697 63.787 63.100 -0.017 0.000 0.761 1149 P CB 0.033 31.784 31.700 0.085 0.000 0.795 1150 Y N -0.744 119.605 120.300 0.083 0.000 4.798 1150 Y HA -0.290 4.262 4.550 0.003 0.000 0.237 1150 Y C 1.069 177.015 175.900 0.076 0.000 1.017 1150 Y CA 0.899 59.039 58.100 0.066 0.000 2.010 1150 Y CB -2.633 35.835 38.460 0.013 0.000 1.582 1150 Y HN 0.384 nan 8.280 nan 0.000 0.621 1151 S N 0.753 116.597 115.700 0.239 0.000 2.600 1151 S HA 0.520 4.991 4.470 0.003 0.000 0.265 1151 S C 0.412 175.096 174.600 0.141 0.000 1.325 1151 S CA -0.955 57.361 58.200 0.193 0.000 1.002 1151 S CB 1.105 64.416 63.200 0.186 0.000 0.921 1151 S HN 0.329 nan 8.310 nan 0.000 0.554 1152 R N 0.541 121.061 120.500 0.034 0.000 2.590 1152 R HA 0.285 4.627 4.340 0.003 0.000 0.274 1152 R C -0.369 175.830 176.300 -0.169 0.000 1.061 1152 R CA 0.017 56.063 56.100 -0.091 0.000 1.081 1152 R CB 0.081 30.328 30.300 -0.089 0.000 0.984 1152 R HN 0.607 nan 8.270 nan 0.000 0.448 1153 I N 4.746 125.076 120.570 -0.400 0.000 2.352 1153 I HA 0.149 4.321 4.170 0.003 0.000 0.290 1153 I C 0.136 176.116 176.117 -0.230 0.000 1.036 1153 I CA -0.164 60.828 61.300 -0.514 0.000 1.336 1153 I CB 0.593 38.116 38.000 -0.795 0.000 1.407 1153 I HN 0.294 nan 8.210 nan 0.000 0.497 1154 L N 5.137 126.296 121.223 -0.107 0.000 2.344 1154 L HA 0.367 4.708 4.340 0.003 0.000 0.272 1154 L C 0.324 177.175 176.870 -0.030 0.000 1.035 1154 L CA -0.987 53.822 54.840 -0.053 0.000 0.807 1154 L CB 1.163 43.214 42.059 -0.012 0.000 1.237 1154 L HN 0.534 nan 8.230 nan 0.000 0.442 1155 N N 1.188 119.878 118.700 -0.017 0.000 2.301 1155 N HA 0.084 4.826 4.740 0.003 0.000 0.267 1155 N C 0.863 176.387 175.510 0.024 0.000 1.304 1155 N CA 1.638 54.694 53.050 0.010 0.000 0.851 1155 N CB 0.440 38.932 38.487 0.008 0.000 1.070 1155 N HN 0.801 nan 8.380 nan 0.000 0.483 1156 G N 2.238 111.067 108.800 0.048 0.000 2.176 1156 G HA2 -0.259 3.703 3.960 0.003 0.000 0.253 1156 G HA3 -0.259 3.703 3.960 0.003 0.000 0.253 1156 G C -0.220 174.713 174.900 0.055 0.000 0.979 1156 G CA 0.118 45.249 45.100 0.052 0.000 0.641 1156 G HN 0.682 nan 8.290 nan 0.000 0.530 1157 D N 1.465 121.897 120.400 0.053 0.000 2.443 1157 D HA 0.402 5.044 4.640 0.003 0.000 0.239 1157 D C 0.115 176.461 176.300 0.077 0.000 1.136 1157 D CA 0.241 54.285 54.000 0.073 0.000 0.879 1157 D CB 0.618 41.489 40.800 0.119 0.000 1.195 1157 D HN 0.157 nan 8.370 nan 0.000 0.443 1158 D N 1.005 121.442 120.400 0.062 0.000 2.277 1158 D HA 0.382 5.023 4.640 0.003 0.000 0.249 1158 D C 0.199 176.519 176.300 0.033 0.000 1.134 1158 D CA -0.218 53.810 54.000 0.046 0.000 0.863 1158 D CB 0.574 41.383 40.800 0.015 0.000 1.143 1158 D HN 0.301 nan 8.370 nan 0.000 0.458 1159 I N -1.971 118.610 120.570 0.018 0.000 3.074 1159 I HA 0.619 4.790 4.170 0.003 0.000 0.310 1159 I C -0.985 175.073 176.117 -0.099 0.000 1.153 1159 I CA -1.120 60.148 61.300 -0.052 0.000 0.993 1159 I CB 2.082 39.988 38.000 -0.155 0.000 1.237 1159 I HN 0.062 nan 8.210 nan 0.000 0.443 1160 M N 2.225 121.720 119.600 -0.174 0.000 2.591 1160 M HA 0.548 5.030 4.480 0.003 0.000 0.306 1160 M C -1.642 174.508 176.300 -0.251 0.000 1.190 1160 M CA -0.378 54.880 55.300 -0.070 0.000 0.889 1160 M CB 2.690 35.332 32.600 0.069 0.000 1.728 1160 M HN 0.407 nan 8.290 nan 0.000 0.458 1161 F N 0.566 120.643 119.950 0.211 0.000 2.444 1161 F HA 0.452 4.980 4.527 0.003 0.000 0.342 1161 F C 0.105 176.097 175.800 0.320 0.000 1.121 1161 F CA -0.436 57.659 58.000 0.158 0.000 0.997 1161 F CB 0.866 39.886 39.000 0.034 0.000 1.130 1161 F HN 0.441 nan 8.300 nan 0.000 0.454 1162 H N 3.303 122.504 119.070 0.218 0.000 2.533 1162 H HA 0.628 5.185 4.556 0.003 0.000 0.343 1162 H C -0.773 174.657 175.328 0.171 0.000 1.160 1162 H CA -1.090 55.059 56.048 0.168 0.000 1.218 1162 H CB 2.528 32.351 29.762 0.101 0.000 1.566 1162 H HN 0.527 nan 8.280 nan 0.000 0.522 1163 M N 3.473 123.233 119.600 0.266 0.000 2.267 1163 M HA 0.183 4.665 4.480 0.003 0.000 0.289 1163 M C -1.900 174.561 176.300 0.269 0.000 1.043 1163 M CA -1.198 54.241 55.300 0.233 0.000 0.928 1163 M CB 1.729 34.445 32.600 0.193 0.000 1.613 1163 M HN 0.354 nan 8.290 nan 0.000 0.450 1164 L N 6.256 127.608 121.223 0.215 0.000 2.278 1164 L HA 0.420 4.762 4.340 0.003 0.000 0.287 1164 L C -1.980 175.058 176.870 0.280 0.000 1.072 1164 L CA 0.234 55.194 54.840 0.201 0.000 0.819 1164 L CB 0.514 42.636 42.059 0.106 0.000 1.176 1164 L HN 0.665 nan 8.230 nan 0.000 0.435 1165 Y N 4.525 124.957 120.300 0.220 0.000 2.354 1165 Y HA 0.311 4.862 4.550 0.003 0.000 0.330 1165 Y C 0.173 176.197 175.900 0.207 0.000 1.011 1165 Y CA -0.927 57.291 58.100 0.197 0.000 1.099 1165 Y CB 0.990 39.553 38.460 0.172 0.000 1.179 1165 Y HN 0.781 nan 8.280 nan 0.000 0.442 1166 D N 4.019 124.179 120.400 -0.401 0.000 2.686 1166 D HA -0.238 4.403 4.640 0.003 0.000 0.235 1166 D C 0.202 176.483 176.300 -0.032 0.000 1.160 1166 D CA 1.906 55.757 54.000 -0.249 0.000 0.645 1166 D CB -1.119 39.521 40.800 -0.267 0.000 1.039 1166 D HN 0.748 nan 8.370 nan 0.000 0.423 1167 S N -1.968 113.723 115.700 -0.015 0.000 3.476 1167 S HA -0.314 4.158 4.470 0.003 0.000 0.309 1167 S C 0.405 175.008 174.600 0.006 0.000 1.222 1167 S CA 1.297 59.498 58.200 0.001 0.000 0.922 1167 S CB -0.860 62.333 63.200 -0.012 0.000 1.023 1167 S HN 0.848 nan 8.310 nan 0.000 0.591 1168 R N 0.867 121.389 120.500 0.037 0.000 2.686 1168 R HA 0.491 4.833 4.340 0.003 0.000 0.283 1168 R C -0.974 175.219 176.300 -0.178 0.000 0.978 1168 R CA -0.735 55.295 56.100 -0.118 0.000 0.897 1168 R CB 1.307 31.469 30.300 -0.229 0.000 1.192 1168 R HN 0.287 nan 8.270 nan 0.000 0.457 1169 E N 3.228 123.271 120.200 -0.262 0.000 2.229 1169 E HA 0.185 4.537 4.350 0.003 0.000 0.283 1169 E C -1.453 174.897 176.600 -0.416 0.000 1.030 1169 E CA -0.320 55.968 56.400 -0.186 0.000 0.836 1169 E CB 0.641 30.283 29.700 -0.097 0.000 1.068 1169 E HN 0.440 nan 8.360 nan 0.000 0.401 1170 Y N 2.600 122.856 120.300 -0.074 0.000 2.562 1170 Y HA 0.338 4.890 4.550 0.003 0.000 0.343 1170 Y C 0.206 175.969 175.900 -0.229 0.000 1.025 1170 Y CA -1.203 56.828 58.100 -0.116 0.000 1.082 1170 Y CB 1.675 40.112 38.460 -0.037 0.000 1.264 1170 Y HN 0.470 nan 8.280 nan 0.000 0.478 1171 M N 1.735 121.312 119.600 -0.038 0.000 2.472 1171 M HA 0.668 5.149 4.480 0.003 0.000 0.331 1171 M C -1.453 174.926 176.300 0.132 0.000 1.170 1171 M CA -0.560 54.748 55.300 0.014 0.000 1.009 1171 M CB 1.638 34.246 32.600 0.015 0.000 1.672 1171 M HN 0.478 nan 8.290 nan 0.000 0.453 1172 I N 4.402 125.101 120.570 0.215 0.000 2.441 1172 I HA 0.343 4.515 4.170 0.003 0.000 0.287 1172 I C -0.141 176.126 176.117 0.250 0.000 1.049 1172 I CA -0.547 60.858 61.300 0.175 0.000 1.381 1172 I CB 0.633 38.708 38.000 0.126 0.000 1.409 1172 I HN 0.753 nan 8.210 nan 0.000 0.523 1173 I N 3.413 124.069 120.570 0.144 0.000 2.892 1173 I HA 0.571 4.743 4.170 0.003 0.000 0.306 1173 I C -0.271 175.914 176.117 0.112 0.000 1.078 1173 I CA -1.119 60.250 61.300 0.115 0.000 1.032 1173 I CB 1.847 39.830 38.000 -0.029 0.000 1.229 1173 I HN 0.502 nan 8.210 nan 0.000 0.435 1174 R N 2.138 122.683 120.500 0.074 0.000 2.490 1174 R HA 0.121 4.463 4.340 0.003 0.000 0.280 1174 R C -0.539 175.742 176.300 -0.032 0.000 1.077 1174 R CA -0.326 55.796 56.100 0.037 0.000 1.065 1174 R CB 0.643 30.926 30.300 -0.028 0.000 1.003 1174 R HN 0.722 nan 8.270 nan 0.000 0.470 1175 D N 1.072 121.476 120.400 0.006 0.000 2.399 1175 D HA -0.045 4.597 4.640 0.003 0.000 0.241 1175 D C 1.069 177.369 176.300 -0.001 0.000 1.133 1175 D CA 0.250 54.263 54.000 0.022 0.000 0.890 1175 D CB 1.514 42.351 40.800 0.062 0.000 1.201 1175 D HN 0.631 nan 8.370 nan 0.000 0.432 1176 T N -0.428 114.139 114.554 0.021 0.000 2.942 1176 T HA -0.019 4.332 4.350 0.003 0.000 0.265 1176 T C 0.466 175.249 174.700 0.138 0.000 1.062 1176 T CA 0.325 62.439 62.100 0.023 0.000 1.139 1176 T CB 0.141 69.041 68.868 0.054 0.000 0.883 1176 T HN 0.214 nan 8.240 nan 0.000 0.468 1177 D N 1.959 122.475 120.400 0.195 0.000 2.272 1177 D HA 0.443 5.085 4.640 0.003 0.000 0.247 1177 D C 0.435 176.881 176.300 0.243 0.000 0.990 1177 D CA -0.289 53.852 54.000 0.236 0.000 0.931 1177 D CB 1.780 42.656 40.800 0.126 0.000 1.195 1177 D HN 0.422 nan 8.370 nan 0.000 0.477 1178 T N -2.065 112.519 114.554 0.050 0.000 2.726 1178 T HA 0.179 4.531 4.350 0.003 0.000 0.294 1178 T C 1.714 176.264 174.700 -0.251 0.000 1.013 1178 T CA -0.532 61.410 62.100 -0.265 0.000 0.996 1178 T CB 0.250 68.906 68.868 -0.353 0.000 1.016 1178 T HN 0.460 nan 8.240 nan 0.000 0.529 1179 I N -2.555 117.705 120.570 -0.516 0.000 3.291 1179 I HA 0.211 4.382 4.170 0.003 0.000 0.279 1179 I C -0.527 175.294 176.117 -0.493 0.000 1.294 1179 I CA -0.112 60.845 61.300 -0.571 0.000 1.428 1179 I CB -0.497 37.024 38.000 -0.799 0.000 1.070 1179 I HN 0.352 nan 8.210 nan 0.000 0.478 1180 Y N 1.460 121.699 120.300 -0.102 0.000 2.356 1180 Y HA 0.661 5.212 4.550 0.003 0.000 0.334 1180 Y C 1.334 177.227 175.900 -0.011 0.000 0.958 1180 Y CA -1.232 56.830 58.100 -0.063 0.000 1.196 1180 Y CB 1.493 39.907 38.460 -0.077 0.000 1.137 1180 Y HN -0.033 nan 8.280 nan 0.000 0.485 1181 A N 1.673 124.594 122.820 0.168 0.000 1.978 1181 A HA -0.200 4.122 4.320 0.003 0.000 0.220 1181 A C 2.128 179.784 177.584 0.120 0.000 1.170 1181 A CA 2.234 54.351 52.037 0.133 0.000 0.636 1181 A CB -0.945 18.144 19.000 0.148 0.000 0.810 1181 A HN 0.796 nan 8.150 nan 0.000 0.448 1182 T N -2.534 112.096 114.554 0.127 0.000 3.098 1182 T HA -0.078 4.274 4.350 0.003 0.000 0.266 1182 T C 1.505 176.250 174.700 0.076 0.000 1.145 1182 T CA 1.304 63.459 62.100 0.091 0.000 1.092 1182 T CB -0.277 68.636 68.868 0.075 0.000 0.908 1182 T HN 0.636 nan 8.240 nan 0.000 0.526 1183 Q N 0.703 120.558 119.800 0.092 0.000 2.432 1183 Q HA 0.268 4.610 4.340 0.003 0.000 0.205 1183 Q C 1.656 177.695 176.000 0.066 0.000 0.945 1183 Q CA 0.173 56.020 55.803 0.073 0.000 0.924 1183 Q CB -0.129 28.660 28.738 0.085 0.000 1.016 1183 Q HN 0.722 nan 8.270 nan 0.000 0.503 1184 G N 0.793 109.636 108.800 0.071 0.000 2.341 1184 G HA2 -0.279 3.682 3.960 0.003 0.000 0.292 1184 G HA3 -0.279 3.682 3.960 0.003 0.000 0.292 1184 G C 0.755 175.694 174.900 0.065 0.000 1.021 1184 G CA 0.444 45.583 45.100 0.065 0.000 0.905 1184 G HN 0.629 nan 8.290 nan 0.000 0.508 1185 G N -1.769 107.076 108.800 0.076 0.000 2.166 1185 G HA2 -0.291 3.671 3.960 0.003 0.000 0.260 1185 G HA3 -0.291 3.671 3.960 0.003 0.000 0.260 1185 G C 0.860 175.810 174.900 0.083 0.000 0.986 1185 G CA 1.242 46.395 45.100 0.088 0.000 0.683 1185 G HN 0.997 nan 8.290 nan 0.000 0.527 1186 Q N -0.935 118.907 119.800 0.069 0.000 2.179 1186 Q HA 0.207 4.549 4.340 0.003 0.000 0.213 1186 Q C 1.364 177.399 176.000 0.058 0.000 0.833 1186 Q CA 0.131 55.969 55.803 0.059 0.000 0.990 1186 Q CB 0.219 28.984 28.738 0.045 0.000 1.132 1186 Q HN 0.661 nan 8.270 nan 0.000 0.493 1187 c N 2.128 120.767 118.600 0.064 0.000 2.611 1187 c HA 0.132 4.704 4.570 0.003 0.000 0.416 1187 c C 1.879 176.008 174.090 0.065 0.000 1.366 1187 c CA 1.005 57.364 56.329 0.050 0.000 1.761 1187 c CB 0.016 42.536 42.510 0.017 0.000 2.619 1187 c HN 0.614 nan 8.230 nan 0.000 0.606 1188 S N 2.839 118.569 115.700 0.049 0.000 2.628 1188 S HA 0.255 4.727 4.470 0.003 0.000 0.246 1188 S C -0.034 174.594 174.600 0.047 0.000 1.062 1188 S CA -0.180 58.051 58.200 0.052 0.000 1.028 1188 S CB -0.020 63.203 63.200 0.037 0.000 0.985 1188 S HN 0.886 nan 8.310 nan 0.000 0.551 1189 K N 1.185 121.607 120.400 0.037 0.000 2.464 1189 K HA 0.410 4.732 4.320 0.003 0.000 0.253 1189 K C -1.115 175.504 176.600 0.032 0.000 0.933 1189 K CA -0.435 55.872 56.287 0.033 0.000 0.801 1189 K CB 0.852 33.365 32.500 0.022 0.000 1.271 1189 K HN -0.001 nan 8.250 nan 0.000 0.430 1190 N N 0.995 119.720 118.700 0.042 0.000 2.740 1190 N HA -0.161 4.580 4.740 0.003 0.000 0.248 1190 N C -0.990 174.532 175.510 0.019 0.000 1.062 1190 N CA 0.732 53.811 53.050 0.048 0.000 0.704 1190 N CB -2.110 36.404 38.487 0.046 0.000 0.968 1190 N HN 0.507 nan 8.380 nan 0.000 0.547 1191 c N 0.188 118.777 118.600 -0.019 0.000 2.527 1191 c HA 0.538 5.110 4.570 0.003 0.000 0.396 1191 c C 1.169 175.051 174.090 -0.347 0.000 1.289 1191 c CA -0.719 55.486 56.329 -0.207 0.000 2.047 1191 c CB 0.943 43.321 42.510 -0.220 0.000 2.568 1191 c HN 0.195 nan 8.230 nan 0.000 0.573 1192 V N 3.714 123.301 119.914 -0.546 0.000 2.443 1192 V HA 0.382 4.503 4.120 0.003 0.000 0.293 1192 V C -1.045 174.633 176.094 -0.693 0.000 1.021 1192 V CA -0.487 61.499 62.300 -0.523 0.000 0.848 1192 V CB 0.781 32.291 31.823 -0.521 0.000 0.998 1192 V HN 0.793 nan 8.190 nan 0.000 0.424 1193 Y N 2.579 122.759 120.300 -0.200 0.000 2.364 1193 Y HA 0.755 5.307 4.550 0.003 0.000 0.340 1193 Y C 0.645 176.419 175.900 -0.209 0.000 0.975 1193 Y CA -0.598 57.400 58.100 -0.170 0.000 1.089 1193 Y CB 1.713 40.137 38.460 -0.059 0.000 1.192 1193 Y HN 0.739 nan 8.280 nan 0.000 0.454 1194 A N 3.731 126.494 122.820 -0.096 0.000 2.327 1194 A HA 0.627 4.949 4.320 0.003 0.000 0.255 1194 A C -0.559 176.987 177.584 -0.063 0.000 1.099 1194 A CA -0.400 51.543 52.037 -0.156 0.000 0.801 1194 A CB 0.261 19.122 19.000 -0.231 0.000 1.062 1194 A HN 0.801 nan 8.150 nan 0.000 0.496 1195 L N 0.197 121.360 121.223 -0.098 0.000 2.331 1195 L HA 0.559 4.901 4.340 0.003 0.000 0.275 1195 L C 0.018 176.842 176.870 -0.078 0.000 1.022 1195 L CA -0.506 54.295 54.840 -0.064 0.000 0.812 1195 L CB 1.731 43.725 42.059 -0.108 0.000 1.257 1195 L HN 0.771 nan 8.230 nan 0.000 0.435 1196 K N 2.161 122.532 120.400 -0.048 0.000 2.466 1196 K HA 0.663 4.985 4.320 0.003 0.000 0.260 1196 K C -1.413 175.149 176.600 -0.063 0.000 1.011 1196 K CA -0.860 55.390 56.287 -0.062 0.000 0.871 1196 K CB 2.534 35.011 32.500 -0.038 0.000 1.404 1196 K HN 0.351 nan 8.250 nan 0.000 0.450 1197 L N 1.734 122.891 121.223 -0.110 0.000 2.307 1197 L HA 0.380 4.722 4.340 0.003 0.000 0.282 1197 L C -0.347 176.525 176.870 0.004 0.000 1.051 1197 L CA -0.514 54.261 54.840 -0.109 0.000 0.804 1197 L CB 1.468 43.276 42.059 -0.418 0.000 1.197 1197 L HN 0.567 nan 8.230 nan 0.000 0.431 1198 Q N 0.794 120.659 119.800 0.109 0.000 2.340 1198 Q HA 0.258 4.600 4.340 0.003 0.000 0.268 1198 Q C 0.247 176.345 176.000 0.162 0.000 1.031 1198 Q CA -0.518 55.339 55.803 0.090 0.000 0.804 1198 Q CB 2.016 30.724 28.738 -0.051 0.000 1.286 1198 Q HN 0.753 nan 8.270 nan 0.000 0.448 1199 S N 2.471 118.244 115.700 0.122 0.000 2.478 1199 S HA 0.098 4.570 4.470 0.003 0.000 0.222 1199 S C 0.354 174.896 174.600 -0.096 0.000 1.008 1199 S CA -0.015 58.143 58.200 -0.069 0.000 0.928 1199 S CB 0.058 63.200 63.200 -0.096 0.000 0.781 1199 S HN 0.601 nan 8.310 nan 0.000 0.518 1200 N N 2.698 121.356 118.700 -0.070 0.000 2.416 1200 N HA 0.315 5.056 4.740 0.003 0.000 0.265 1200 N C -0.859 174.670 175.510 0.032 0.000 1.195 1200 N CA 0.238 53.263 53.050 -0.042 0.000 0.943 1200 N CB 0.395 38.811 38.487 -0.118 0.000 1.115 1200 N HN 0.460 nan 8.380 nan 0.000 0.481 1201 L N 1.391 122.665 121.223 0.085 0.000 2.334 1201 L HA 0.752 5.093 4.340 0.003 0.000 0.277 1201 L C 1.153 178.171 176.870 0.248 0.000 1.075 1201 L CA -0.523 54.392 54.840 0.124 0.000 0.804 1201 L CB 1.359 43.429 42.059 0.019 0.000 1.174 1201 L HN 0.540 nan 8.230 nan 0.000 0.438 1202 G N 1.426 110.376 108.800 0.250 0.000 2.320 1202 G HA2 -0.037 3.924 3.960 0.003 0.000 0.297 1202 G HA3 -0.037 3.924 3.960 0.003 0.000 0.297 1202 G C -1.061 173.802 174.900 -0.062 0.000 1.344 1202 G CA -0.844 44.252 45.100 -0.006 0.000 0.851 1202 G HN 0.577 nan 8.290 nan 0.000 0.567 1203 N N 0.631 119.193 118.700 -0.229 0.000 3.115 1203 N HA 0.146 4.887 4.740 0.003 0.000 0.305 1203 N C -0.674 174.706 175.510 -0.217 0.000 1.305 1203 N CA 0.039 52.989 53.050 -0.167 0.000 1.154 1203 N CB -0.089 38.306 38.487 -0.154 0.000 1.454 1203 N HN 0.312 nan 8.380 nan 0.000 0.551 1204 Y N -0.327 119.931 120.300 -0.072 0.000 2.465 1204 Y HA 0.066 4.618 4.550 0.003 0.000 0.331 1204 Y C 1.889 177.654 175.900 -0.225 0.000 1.102 1204 Y CA -0.321 57.703 58.100 -0.127 0.000 1.358 1204 Y CB 0.764 39.144 38.460 -0.134 0.000 1.213 1204 Y HN 0.202 nan 8.280 nan 0.000 0.525 1205 G N 2.894 111.621 108.800 -0.122 0.000 2.469 1205 G HA2 -0.328 3.634 3.960 0.003 0.000 0.220 1205 G HA3 -0.328 3.634 3.960 0.003 0.000 0.220 1205 G C 1.543 176.000 174.900 -0.739 0.000 1.136 1205 G CA 1.008 45.964 45.100 -0.240 0.000 0.759 1205 G HN 0.740 nan 8.290 nan 0.000 0.562 1206 I N 1.341 121.208 120.570 -1.172 0.000 2.700 1206 I HA 0.088 4.259 4.170 0.003 0.000 0.261 1206 I C 2.189 177.970 176.117 -0.559 0.000 1.219 1206 I CA 1.234 61.858 61.300 -1.128 0.000 1.463 1206 I CB -0.002 37.496 38.000 -0.836 0.000 1.092 1206 I HN 0.066 nan 8.210 nan 0.000 0.452 1207 G N 0.062 108.643 108.800 -0.364 0.000 3.575 1207 G HA2 0.316 4.277 3.960 0.003 0.000 0.273 1207 G HA3 0.316 4.277 3.960 0.003 0.000 0.273 1207 G C 0.358 175.137 174.900 -0.201 0.000 1.053 1207 G CA -0.232 44.773 45.100 -0.157 0.000 0.803 1207 G HN 0.243 nan 8.290 nan 0.000 0.528 1208 I N 1.004 121.322 120.570 -0.420 0.000 2.359 1208 I HA 0.522 4.694 4.170 0.003 0.000 0.294 1208 I C -0.759 175.056 176.117 -0.503 0.000 0.987 1208 I CA -0.713 60.425 61.300 -0.270 0.000 1.225 1208 I CB 1.516 39.435 38.000 -0.134 0.000 1.366 1208 I HN -0.114 nan 8.210 nan 0.000 0.466 1209 F N 2.948 122.917 119.950 0.032 0.000 2.611 1209 F HA 0.511 5.040 4.527 0.003 0.000 0.324 1209 F C 0.308 176.149 175.800 0.069 0.000 1.061 1209 F CA -0.767 57.282 58.000 0.082 0.000 0.954 1209 F CB 1.962 41.050 39.000 0.146 0.000 1.301 1209 F HN 0.226 nan 8.300 nan 0.000 0.482 1210 S N 1.417 117.319 115.700 0.338 0.000 2.503 1210 S HA 0.705 5.177 4.470 0.003 0.000 0.301 1210 S C -1.185 173.596 174.600 0.301 0.000 1.087 1210 S CA -0.556 57.799 58.200 0.258 0.000 1.042 1210 S CB 0.914 64.259 63.200 0.241 0.000 1.043 1210 S HN 0.580 nan 8.310 nan 0.000 0.489 1211 I N 3.999 124.688 120.570 0.198 0.000 2.433 1211 I HA 0.592 4.764 4.170 0.003 0.000 0.292 1211 I C -1.131 175.092 176.117 0.178 0.000 1.001 1211 I CA -0.494 60.914 61.300 0.180 0.000 1.119 1211 I CB 1.131 39.169 38.000 0.064 0.000 1.289 1211 I HN 0.610 nan 8.210 nan 0.000 0.438 1212 K N 5.317 125.860 120.400 0.238 0.000 2.469 1212 K HA 0.429 4.750 4.320 0.003 0.000 0.254 1212 K C -1.099 175.595 176.600 0.157 0.000 0.939 1212 K CA -1.050 55.359 56.287 0.203 0.000 0.812 1212 K CB 1.680 34.351 32.500 0.285 0.000 1.301 1212 K HN 0.498 nan 8.250 nan 0.000 0.433 1213 N N 1.403 120.158 118.700 0.092 0.000 2.482 1213 N HA 0.180 4.922 4.740 0.003 0.000 0.260 1213 N C -0.175 175.364 175.510 0.048 0.000 1.236 1213 N CA 0.004 53.085 53.050 0.053 0.000 0.938 1213 N CB 0.499 39.001 38.487 0.025 0.000 1.128 1213 N HN 0.410 nan 8.380 nan 0.000 0.448 1214 I N 1.149 121.704 120.570 -0.025 0.000 2.436 1214 I HA -0.024 4.147 4.170 0.003 0.000 0.289 1214 I C 0.767 176.876 176.117 -0.014 0.000 1.083 1214 I CA -0.401 60.868 61.300 -0.051 0.000 1.372 1214 I CB 0.719 38.545 38.000 -0.290 0.000 1.408 1214 I HN 0.112 nan 8.210 nan 0.000 0.516 1215 V N 7.867 127.804 119.914 0.039 0.000 2.555 1215 V HA -0.137 3.984 4.120 0.003 0.000 0.299 1215 V C 1.023 177.129 176.094 0.020 0.000 1.012 1215 V CA 1.607 63.928 62.300 0.035 0.000 1.180 1215 V CB -0.382 31.473 31.823 0.053 0.000 0.887 1215 V HN 1.163 nan 8.190 nan 0.000 0.476 1216 S N 2.050 117.755 115.700 0.008 0.000 4.158 1216 S HA -0.348 4.124 4.470 0.003 0.000 0.385 1216 S C 0.850 175.449 174.600 -0.002 0.000 1.865 1216 S CA 1.319 59.524 58.200 0.008 0.000 4.249 1216 S CB -1.189 62.023 63.200 0.021 0.000 0.204 1216 S HN 1.266 nan 8.310 nan 0.000 0.454 1221 C N 0.966 120.338 119.300 0.121 0.000 2.562 1221 C HA 0.954 5.416 4.460 0.003 0.000 0.332 1221 C C 0.386 175.403 174.990 0.044 0.000 1.201 1221 C CA -0.536 58.521 59.018 0.065 0.000 1.803 1221 C CB 1.641 29.306 27.740 -0.125 0.000 2.328 1221 C HN 0.584 nan 8.230 nan 0.000 0.500 1222 S N 1.011 116.792 115.700 0.135 0.000 2.627 1222 S HA 0.695 5.167 4.470 0.003 0.000 0.283 1222 S C -1.673 173.065 174.600 0.230 0.000 1.127 1222 S CA -0.810 57.485 58.200 0.158 0.000 0.863 1222 S CB 1.244 64.582 63.200 0.229 0.000 1.121 1222 S HN 0.776 nan 8.310 nan 0.000 0.479 1223 Q N 0.134 120.047 119.800 0.188 0.000 2.257 1223 Q HA 0.689 5.031 4.340 0.003 0.000 0.262 1223 Q C -1.139 174.810 176.000 -0.084 0.000 0.997 1223 Q CA -0.651 55.207 55.803 0.092 0.000 0.873 1223 Q CB 2.009 30.756 28.738 0.014 0.000 1.312 1223 Q HN 0.652 nan 8.270 nan 0.000 0.450 1224 I N 1.815 122.168 120.570 -0.363 0.000 2.498 1224 I HA 0.460 4.632 4.170 0.003 0.000 0.290 1224 I C -1.160 174.661 176.117 -0.494 0.000 1.032 1224 I CA -0.520 60.626 61.300 -0.256 0.000 1.073 1224 I CB 1.088 38.941 38.000 -0.246 0.000 1.251 1224 I HN 0.452 nan 8.210 nan 0.000 0.426 1225 F N 2.924 122.976 119.950 0.169 0.000 2.593 1225 F HA 0.650 5.179 4.527 0.003 0.000 0.320 1225 F C 0.251 176.208 175.800 0.263 0.000 1.060 1225 F CA -0.822 57.265 58.000 0.144 0.000 0.940 1225 F CB 2.167 41.216 39.000 0.081 0.000 1.268 1225 F HN 0.287 nan 8.300 nan 0.000 0.475 1226 S N -0.321 115.613 115.700 0.390 0.000 2.536 1226 S HA 0.554 5.026 4.470 0.003 0.000 0.287 1226 S C -0.286 174.425 174.600 0.185 0.000 1.101 1226 S CA -0.320 57.995 58.200 0.193 0.000 0.950 1226 S CB 1.350 64.579 63.200 0.050 0.000 1.056 1226 S HN 0.705 nan 8.310 nan 0.000 0.481 1227 S N 3.127 118.900 115.700 0.122 0.000 2.664 1227 S HA 0.335 4.807 4.470 0.003 0.000 0.245 1227 S C -0.306 174.342 174.600 0.080 0.000 1.019 1227 S CA -0.425 57.838 58.200 0.105 0.000 0.996 1227 S CB -0.441 62.807 63.200 0.079 0.000 0.878 1227 S HN 0.587 nan 8.310 nan 0.000 0.493 1228 F N 3.998 123.906 119.950 -0.071 0.000 2.466 1228 F HA 0.390 4.919 4.527 0.003 0.000 0.363 1228 F C 1.281 177.032 175.800 -0.082 0.000 1.109 1228 F CA -0.165 57.779 58.000 -0.094 0.000 1.161 1228 F CB 0.026 38.935 39.000 -0.151 0.000 1.117 1228 F HN 0.120 nan 8.300 nan 0.000 0.539 1229 M N 1.429 120.730 119.600 -0.500 0.000 2.825 1229 M HA -0.342 4.139 4.480 0.003 0.000 0.154 1229 M C -0.172 176.048 176.300 -0.132 0.000 0.687 1229 M CA 1.673 56.753 55.300 -0.366 0.000 0.590 1229 M CB -1.686 30.681 32.600 -0.388 0.000 2.159 1229 M HN 0.521 nan 8.290 nan 0.000 0.262 1230 K N 0.137 120.510 120.400 -0.045 0.000 2.482 1230 K HA 0.517 4.838 4.320 0.003 0.000 0.257 1230 K C -0.656 176.012 176.600 0.114 0.000 0.969 1230 K CA -0.682 55.634 56.287 0.048 0.000 0.842 1230 K CB 1.665 34.231 32.500 0.111 0.000 1.359 1230 K HN 0.197 nan 8.250 nan 0.000 0.441 1231 N N 1.297 120.092 118.700 0.159 0.000 2.442 1231 N HA 0.111 4.852 4.740 0.003 0.000 0.265 1231 N C -0.778 174.999 175.510 0.445 0.000 1.138 1231 N CA 0.153 53.369 53.050 0.275 0.000 0.956 1231 N CB 0.773 39.412 38.487 0.254 0.000 1.067 1231 N HN 0.498 nan 8.380 nan 0.000 0.474 1232 T N -0.597 114.219 114.554 0.436 0.000 2.916 1232 T HA 0.614 4.965 4.350 0.003 0.000 0.292 1232 T C -0.514 174.298 174.700 0.188 0.000 1.064 1232 T CA -1.003 61.345 62.100 0.412 0.000 1.011 1232 T CB 1.699 70.753 68.868 0.311 0.000 1.152 1232 T HN 0.331 nan 8.240 nan 0.000 0.510 1233 M N 1.978 121.537 119.600 -0.068 0.000 2.457 1233 M HA 0.536 5.018 4.480 0.003 0.000 0.300 1233 M C -1.700 174.531 176.300 -0.116 0.000 1.141 1233 M CA -1.091 53.987 55.300 -0.368 0.000 0.901 1233 M CB 1.679 33.785 32.600 -0.824 0.000 1.687 1233 M HN 0.636 nan 8.290 nan 0.000 0.449 1234 L N 5.665 126.817 121.223 -0.119 0.000 2.380 1234 L HA 0.435 4.776 4.340 0.003 0.000 0.273 1234 L C -0.738 176.340 176.870 0.346 0.000 1.138 1234 L CA -0.670 54.201 54.840 0.051 0.000 0.832 1234 L CB 0.473 42.391 42.059 -0.236 0.000 1.124 1234 L HN 0.667 nan 8.230 nan 0.000 0.454 1235 L N 1.867 123.305 121.223 0.358 0.000 2.397 1235 L HA 1.041 5.383 4.340 0.003 0.000 0.251 1235 L C -0.796 176.270 176.870 0.327 0.000 1.064 1235 L CA -0.772 54.251 54.840 0.306 0.000 0.859 1235 L CB 1.788 43.920 42.059 0.123 0.000 1.468 1235 L HN 0.480 nan 8.230 nan 0.000 0.411 1236 A N 0.053 122.946 122.820 0.122 0.000 2.371 1236 A HA 0.891 5.212 4.320 0.003 0.000 0.311 1236 A C -1.387 176.342 177.584 0.243 0.000 1.068 1236 A CA -0.131 52.034 52.037 0.214 0.000 0.744 1236 A CB 1.151 20.263 19.000 0.185 0.000 1.239 1236 A HN 0.845 nan 8.150 nan 0.000 0.435 1237 D N 0.496 121.028 120.400 0.219 0.000 2.692 1237 D HA 0.312 4.954 4.640 0.003 0.000 0.290 1237 D C -1.277 174.912 176.300 -0.185 0.000 1.281 1237 D CA -0.407 53.600 54.000 0.012 0.000 0.804 1237 D CB 1.026 41.714 40.800 -0.188 0.000 1.331 1237 D HN 0.400 nan 8.370 nan 0.000 0.432 1238 I N 2.721 123.041 120.570 -0.417 0.000 2.363 1238 I HA 0.199 4.371 4.170 0.003 0.000 0.292 1238 I C -0.487 175.333 176.117 -0.495 0.000 1.075 1238 I CA -0.014 60.985 61.300 -0.503 0.000 1.333 1238 I CB 0.081 37.741 38.000 -0.567 0.000 1.415 1238 I HN 0.198 nan 8.210 nan 0.000 0.502 1239 Y N 4.713 124.878 120.300 -0.224 0.000 2.693 1239 Y HA 0.439 4.991 4.550 0.003 0.000 0.331 1239 Y C -0.008 175.775 175.900 -0.196 0.000 1.092 1239 Y CA -1.089 56.900 58.100 -0.186 0.000 1.131 1239 Y CB 1.402 39.733 38.460 -0.216 0.000 1.318 1239 Y HN 0.274 nan 8.280 nan 0.000 0.510 1240 K N 2.921 123.342 120.400 0.036 0.000 2.356 1240 K HA 0.248 4.570 4.320 0.003 0.000 0.243 1240 K C -2.262 174.220 176.600 -0.196 0.000 1.072 1240 K CA -1.513 54.739 56.287 -0.059 0.000 1.014 1240 K CB 0.942 33.381 32.500 -0.101 0.000 1.523 1240 K HN 0.307 nan 8.250 nan 0.000 0.455 1241 P HA -0.062 nan 4.420 nan 0.000 0.240 1241 P C -0.554 176.370 177.300 -0.626 0.000 1.190 1241 P CA 0.253 62.980 63.100 -0.620 0.000 0.781 1241 P CB 0.390 31.589 31.700 -0.835 0.000 0.931 1242 W N 1.190 122.300 121.300 -0.317 0.000 2.361 1242 W HA 0.339 5.001 4.660 0.003 0.000 0.309 1242 W C 1.394 177.628 176.519 -0.476 0.000 1.122 1242 W CA -0.587 56.460 57.345 -0.498 0.000 1.208 1242 W CB 0.758 29.632 29.460 -0.977 0.000 1.246 1242 W HN -0.025 nan 8.180 nan 0.000 0.490 1243 R N 1.568 122.021 120.500 -0.079 0.000 2.127 1243 R HA -0.185 4.157 4.340 0.003 0.000 0.238 1243 R C 1.732 178.095 176.300 0.106 0.000 1.134 1243 R CA 1.683 57.803 56.100 0.033 0.000 0.975 1243 R CB -0.266 30.101 30.300 0.111 0.000 0.865 1243 R HN 0.499 nan 8.270 nan 0.000 0.447 1244 F N -1.372 118.699 119.950 0.201 0.000 2.811 1244 F HA 0.293 4.821 4.527 0.003 0.000 0.301 1244 F C 0.413 176.329 175.800 0.194 0.000 1.151 1244 F CA -0.471 57.627 58.000 0.164 0.000 1.412 1244 F CB 0.137 39.200 39.000 0.105 0.000 1.113 1244 F HN -0.244 nan 8.300 nan 0.000 0.579 1245 S N -0.887 114.777 115.700 -0.060 0.000 2.564 1245 S HA 0.502 4.974 4.470 0.003 0.000 0.274 1245 S C -0.733 174.053 174.600 0.311 0.000 1.124 1245 S CA -0.558 57.696 58.200 0.090 0.000 0.869 1245 S CB 0.772 63.860 63.200 -0.185 0.000 1.105 1245 S HN 0.073 nan 8.310 nan 0.000 0.472 1246 F N 1.736 121.714 119.950 0.046 0.000 2.639 1246 F HA 0.412 4.941 4.527 0.003 0.000 0.300 1246 F C 1.070 176.917 175.800 0.078 0.000 1.109 1246 F CA -0.478 57.561 58.000 0.065 0.000 1.335 1246 F CB 0.110 39.141 39.000 0.050 0.000 1.014 1246 F HN 0.657 nan 8.300 nan 0.000 0.537 1247 E N 1.307 121.649 120.200 0.237 0.000 2.384 1247 E HA 0.017 4.369 4.350 0.003 0.000 0.266 1247 E C -0.065 176.675 176.600 0.233 0.000 1.012 1247 E CA -0.192 56.335 56.400 0.211 0.000 0.901 1247 E CB 0.458 30.258 29.700 0.166 0.000 0.967 1247 E HN 0.146 nan 8.360 nan 0.000 0.435 1248 N N 1.787 120.573 118.700 0.142 0.000 2.524 1248 N HA 0.459 5.200 4.740 0.003 0.000 0.283 1248 N C -0.991 174.570 175.510 0.085 0.000 1.142 1248 N CA -0.158 52.924 53.050 0.053 0.000 0.984 1248 N CB 1.742 40.210 38.487 -0.032 0.000 1.155 1248 N HN 0.497 nan 8.380 nan 0.000 0.467 1249 A N 1.333 124.135 122.820 -0.030 0.000 2.574 1249 A HA 0.448 4.770 4.320 0.003 0.000 0.297 1249 A C -1.646 175.851 177.584 -0.145 0.000 1.062 1249 A CA -0.683 51.343 52.037 -0.019 0.000 0.686 1249 A CB 0.646 19.633 19.000 -0.023 0.000 1.285 1249 A HN 0.532 nan 8.150 nan 0.000 0.403 1250 Y N 1.200 121.402 120.300 -0.164 0.000 2.496 1250 Y HA 0.428 4.979 4.550 0.003 0.000 0.334 1250 Y C 0.813 176.599 175.900 -0.190 0.000 1.080 1250 Y CA 1.043 58.988 58.100 -0.259 0.000 1.355 1250 Y CB 0.916 39.110 38.460 -0.442 0.000 1.193 1250 Y HN 0.527 nan 8.280 nan 0.000 0.523 1251 T N 6.225 120.783 114.554 0.007 0.000 2.921 1251 T HA 0.317 4.669 4.350 0.003 0.000 0.297 1251 T C -2.947 171.793 174.700 0.066 0.000 1.013 1251 T CA -1.760 60.325 62.100 -0.025 0.000 0.990 1251 T CB 1.947 70.752 68.868 -0.104 0.000 1.023 1251 T HN 0.245 nan 8.240 nan 0.000 0.447 1252 P HA 0.434 nan 4.420 nan 0.000 0.287 1252 P C -0.776 176.515 177.300 -0.015 0.000 1.281 1252 P CA -0.445 62.732 63.100 0.129 0.000 0.781 1252 P CB 0.981 32.717 31.700 0.060 0.000 0.903 1253 V N 0.130 120.054 119.914 0.017 0.000 3.078 1253 V HA 0.923 5.044 4.120 0.003 0.000 0.311 1253 V C -0.667 175.432 176.094 0.008 0.000 1.138 1253 V CA -1.617 60.633 62.300 -0.083 0.000 1.007 1253 V CB 1.727 33.368 31.823 -0.304 0.000 1.045 1253 V HN 0.584 nan 8.190 nan 0.000 0.432 1254 A N 2.377 125.230 122.820 0.055 0.000 2.260 1254 A HA 0.862 5.184 4.320 0.003 0.000 0.314 1254 A C -0.171 177.530 177.584 0.195 0.000 1.257 1254 A CA -0.149 51.981 52.037 0.155 0.000 0.871 1254 A CB 0.910 20.052 19.000 0.236 0.000 1.166 1254 A HN 2.229 nan 8.150 nan 0.000 0.522 1255 V N 1.198 121.221 119.914 0.182 0.000 2.769 1255 V HA 0.897 5.019 4.120 0.003 0.000 0.312 1255 V C 0.178 176.469 176.094 0.329 0.000 1.061 1255 V CA 0.015 62.431 62.300 0.192 0.000 0.931 1255 V CB 1.217 33.130 31.823 0.149 0.000 1.010 1255 V HN 1.116 nan 8.190 nan 0.000 0.433 1256 T N 0.556 115.282 114.554 0.288 0.000 2.862 1256 T HA 0.462 4.814 4.350 0.003 0.000 0.276 1256 T C 0.253 175.088 174.700 0.224 0.000 0.974 1256 T CA 0.255 62.541 62.100 0.310 0.000 0.966 1256 T CB 0.277 69.278 68.868 0.221 0.000 1.072 1256 T HN 1.366 nan 8.240 nan 0.000 0.538 1257 N N 0.240 118.985 118.700 0.075 0.000 2.696 1257 N HA -0.193 4.549 4.740 0.003 0.000 0.256 1257 N C -0.330 175.193 175.510 0.022 0.000 1.031 1257 N CA 0.949 53.981 53.050 -0.030 0.000 0.730 1257 N CB -1.682 36.818 38.487 0.021 0.000 0.894 1257 N HN 0.805 nan 8.380 nan 0.000 0.544 1258 Y N -2.257 118.113 120.300 0.118 0.000 2.524 1258 Y HA 0.485 5.037 4.550 0.003 0.000 0.266 1258 Y C 1.303 177.276 175.900 0.121 0.000 1.180 1258 Y CA -0.648 57.529 58.100 0.128 0.000 1.244 1258 Y CB -0.020 38.548 38.460 0.179 0.000 1.125 1258 Y HN -0.008 nan 8.280 nan 0.000 0.524 1259 E N 1.136 121.329 120.200 -0.012 0.000 2.097 1259 E HA -0.181 4.171 4.350 0.003 0.000 0.196 1259 E C 2.038 178.704 176.600 0.109 0.000 1.000 1259 E CA 2.498 58.923 56.400 0.042 0.000 0.804 1259 E CB -0.511 29.164 29.700 -0.040 0.000 0.740 1259 E HN 0.637 nan 8.360 nan 0.000 0.454 1260 T N -1.787 112.819 114.554 0.086 0.000 3.160 1260 T HA 0.081 4.432 4.350 0.003 0.000 0.257 1260 T C 1.308 176.054 174.700 0.077 0.000 1.147 1260 T CA 0.320 62.461 62.100 0.068 0.000 1.064 1260 T CB 0.152 69.044 68.868 0.042 0.000 0.949 1260 T HN -0.122 nan 8.240 nan 0.000 0.526 1261 K N 0.477 120.955 120.400 0.130 0.000 2.358 1261 K HA 0.402 4.724 4.320 0.003 0.000 0.200 1261 K C 1.621 178.288 176.600 0.110 0.000 1.030 1261 K CA -0.080 56.266 56.287 0.097 0.000 1.097 1261 K CB 0.042 32.616 32.500 0.124 0.000 0.862 1261 K HN 0.389 nan 8.250 nan 0.000 0.534 1262 L N 0.365 121.700 121.223 0.187 0.000 2.265 1262 L HA -0.064 4.278 4.340 0.003 0.000 0.215 1262 L C 1.541 178.538 176.870 0.211 0.000 1.117 1262 L CA 1.044 56.028 54.840 0.241 0.000 0.782 1262 L CB -0.121 42.101 42.059 0.272 0.000 0.914 1262 L HN 0.065 nan 8.230 nan 0.000 0.441 1263 L N -1.822 119.463 121.223 0.104 0.000 2.728 1263 L HA 0.147 4.489 4.340 0.003 0.000 0.238 1263 L C 1.013 177.780 176.870 -0.172 0.000 1.143 1263 L CA -0.230 54.654 54.840 0.075 0.000 0.937 1263 L CB 0.429 42.523 42.059 0.058 0.000 1.225 1263 L HN 0.001 nan 8.230 nan 0.000 0.507 1264 S N -0.071 115.466 115.700 -0.272 0.000 2.523 1264 S HA 0.071 4.543 4.470 0.003 0.000 0.275 1264 S C 1.558 175.575 174.600 -0.972 0.000 1.281 1264 S CA -0.096 57.839 58.200 -0.442 0.000 1.050 1264 S CB 0.991 64.037 63.200 -0.256 0.000 0.937 1264 S HN 0.423 nan 8.310 nan 0.000 0.492 1265 T N 1.761 115.706 114.554 -1.015 0.000 2.962 1265 T HA -0.124 4.228 4.350 0.003 0.000 0.270 1265 T C 1.944 176.139 174.700 -0.842 0.000 1.088 1265 T CA 1.265 62.547 62.100 -1.363 0.000 1.127 1265 T CB -0.742 67.552 68.868 -0.956 0.000 0.883 1265 T HN 0.742 nan 8.240 nan 0.000 0.493 1266 S N 2.146 117.511 115.700 -0.557 0.000 2.469 1266 S HA -0.107 4.364 4.470 0.003 0.000 0.238 1266 S C 2.066 176.422 174.600 -0.408 0.000 0.998 1266 S CA 1.025 58.990 58.200 -0.392 0.000 0.957 1266 S CB -0.848 62.226 63.200 -0.210 0.000 0.764 1266 S HN 0.766 nan 8.310 nan 0.000 0.514 1267 S N -0.245 115.206 115.700 -0.415 0.000 2.556 1267 S HA 0.370 4.841 4.470 0.003 0.000 0.216 1267 S C -0.109 174.460 174.600 -0.051 0.000 0.970 1267 S CA -0.794 57.300 58.200 -0.176 0.000 0.912 1267 S CB -0.425 62.759 63.200 -0.026 0.000 0.790 1267 S HN 0.301 nan 8.310 nan 0.000 0.504 1268 F N 1.906 121.588 119.950 -0.447 0.000 2.404 1268 F HA 0.609 5.138 4.527 0.003 0.000 0.345 1268 F C -0.247 175.232 175.800 -0.536 0.000 1.110 1268 F CA -2.445 55.360 58.000 -0.325 0.000 1.130 1268 F CB -0.002 38.836 39.000 -0.270 0.000 1.129 1268 F HN 0.192 nan 8.300 nan 0.000 0.500 1269 W N 2.840 124.204 121.300 0.106 0.000 2.689 1269 W HA 0.672 5.333 4.660 0.003 0.000 0.340 1269 W C -0.450 175.969 176.519 -0.166 0.000 1.060 1269 W CA -0.706 56.575 57.345 -0.106 0.000 1.218 1269 W CB 1.734 31.054 29.460 -0.234 0.000 1.410 1269 W HN 0.262 nan 8.180 nan 0.000 0.528 1270 K N 1.441 121.769 120.400 -0.121 0.000 2.395 1270 K HA 0.695 5.017 4.320 0.003 0.000 0.247 1270 K C -1.640 174.676 176.600 -0.473 0.000 0.973 1270 K CA -1.148 55.066 56.287 -0.121 0.000 0.828 1270 K CB 2.215 34.760 32.500 0.074 0.000 1.272 1270 K HN 0.233 nan 8.250 nan 0.000 0.439 1271 F N 1.870 121.819 119.950 -0.002 0.000 2.553 1271 F HA 0.417 4.945 4.527 0.003 0.000 0.335 1271 F C -0.218 175.600 175.800 0.031 0.000 1.148 1271 F CA -0.674 57.276 58.000 -0.083 0.000 0.963 1271 F CB 0.947 39.642 39.000 -0.507 0.000 1.217 1271 F HN 0.162 nan 8.300 nan 0.000 0.441 1272 I N 3.535 124.254 120.570 0.248 0.000 2.301 1272 I HA 0.237 4.408 4.170 0.003 0.000 0.292 1272 I C 0.266 176.712 176.117 0.549 0.000 1.046 1272 I CA -0.375 61.037 61.300 0.187 0.000 1.282 1272 I CB 0.803 38.743 38.000 -0.100 0.000 1.409 1272 I HN 0.555 nan 8.210 nan 0.000 0.484 1273 S N 6.167 122.264 115.700 0.662 0.000 2.610 1273 S HA 0.444 4.916 4.470 0.003 0.000 0.273 1273 S C 0.158 175.047 174.600 0.482 0.000 1.274 1273 S CA -0.989 57.501 58.200 0.483 0.000 1.023 1273 S CB 1.096 64.575 63.200 0.463 0.000 0.962 1273 S HN 0.523 nan 8.310 nan 0.000 0.523 1274 R N 1.955 122.486 120.500 0.052 0.000 2.291 1274 R HA 0.202 4.544 4.340 0.003 0.000 0.333 1274 R C -0.431 175.885 176.300 0.027 0.000 1.082 1274 R CA 0.002 55.976 56.100 -0.210 0.000 0.948 1274 R CB -0.032 30.032 30.300 -0.393 0.000 1.009 1274 R HN 0.673 nan 8.270 nan 0.000 0.460 1275 D N 4.108 124.583 120.400 0.125 0.000 2.248 1275 D HA 0.186 4.828 4.640 0.003 0.000 0.246 1275 D C -1.622 174.664 176.300 -0.022 0.000 1.027 1275 D CA -2.218 51.732 54.000 -0.083 0.000 0.853 1275 D CB 2.233 42.669 40.800 -0.606 0.000 1.243 1275 D HN 0.176 nan 8.370 nan 0.000 0.462 1276 P HA 0.003 nan 4.420 nan 0.000 0.225 1276 P C 1.070 178.481 177.300 0.184 0.000 1.148 1276 P CA 0.465 63.644 63.100 0.132 0.000 0.779 1276 P CB 0.165 31.994 31.700 0.215 0.000 0.780 1277 G N -2.310 106.580 108.800 0.151 0.000 2.920 1277 G HA2 -0.069 3.893 3.960 0.003 0.000 0.208 1277 G HA3 -0.069 3.893 3.960 0.003 0.000 0.208 1277 G C -0.285 174.674 174.900 0.097 0.000 1.159 1277 G CA -0.133 45.078 45.100 0.186 0.000 0.784 1277 G HN 0.255 nan 8.290 nan 0.000 0.535 1278 W N 0.939 122.152 121.300 -0.145 0.000 2.642 1278 W HA 0.500 5.161 4.660 0.003 0.000 0.304 1278 W C -1.891 174.689 176.519 0.101 0.000 1.023 1278 W CA -0.957 56.343 57.345 -0.075 0.000 1.290 1278 W CB 1.213 30.526 29.460 -0.245 0.000 1.190 1278 W HN -0.241 nan 8.180 nan 0.000 0.374 1279 V N 5.797 125.742 119.914 0.052 0.000 2.427 1279 V HA 0.428 4.549 4.120 0.003 0.000 0.286 1279 V C -0.118 176.033 176.094 0.095 0.000 1.034 1279 V CA -0.139 62.242 62.300 0.135 0.000 0.893 1279 V CB 1.830 33.692 31.823 0.065 0.000 0.982 1279 V HN 0.402 nan 8.190 nan 0.000 0.452 1280 E N 2.485 122.803 120.200 0.197 0.000 2.393 1280 E HA 0.596 4.947 4.350 0.003 0.000 0.273 1280 E C -1.702 174.883 176.600 -0.024 0.000 0.918 1280 E CA -0.994 55.494 56.400 0.146 0.000 0.773 1280 E CB 2.514 32.297 29.700 0.138 0.000 1.275 1280 E HN 0.743 nan 8.360 nan 0.000 0.451 1281 H N 0.305 119.402 119.070 0.045 0.000 2.547 1281 H HA 0.258 4.816 4.556 0.003 0.000 0.342 1281 H C -0.678 174.661 175.328 0.019 0.000 1.048 1281 H CA -0.576 55.500 56.048 0.046 0.000 1.204 1281 H CB 0.764 30.570 29.762 0.074 0.000 1.493 1281 H HN 0.290 nan 8.280 nan 0.000 0.511 1282 H N 3.184 122.342 119.070 0.145 0.000 2.886 1282 H HA 0.002 4.560 4.556 0.003 0.000 0.329 1282 H C 0.754 176.125 175.328 0.071 0.000 1.044 1282 H CA 0.082 56.152 56.048 0.036 0.000 1.456 1282 H CB 0.499 30.258 29.762 -0.004 0.000 1.464 1282 H HN 0.817 nan 8.280 nan 0.000 0.573 1283 H N 1.288 120.545 119.070 0.312 0.000 2.730 1283 H HA 0.020 4.577 4.556 0.003 0.000 0.376 1283 H C 0.278 175.729 175.328 0.206 0.000 1.299 1283 H CA -0.546 55.636 56.048 0.223 0.000 1.447 1283 H CB 0.701 30.562 29.762 0.165 0.000 1.493 1283 H HN 0.670 nan 8.280 nan 0.000 0.619 1284 H N 0.000 119.254 119.070 0.307 0.000 2.539 1284 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1284 H CA 0.000 56.164 56.048 0.194 0.000 1.023 1284 H CB 0.000 29.834 29.762 0.119 0.000 1.292 1284 H HN 0.000 nan 8.280 nan 0.000 0.496