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 3ogg_1_A DATA FIRST_RESID 863 DATA SEQUENCE SINDSKILSL QNKKNALVDT SGYNAEVRVG DNVQLNTIYT NDFKLSSSGD DATA SEQUENCE KIIVNLNNNI LYSAIYENSS VSFWIKISKD LTNSHNEYTI INSIEQNSGW DATA SEQUENCE KLCIRNGNIE WILQDVNRKY KSLIFDYSES LSHTGYTNKW FFVTITNNIM DATA SEQUENCE GYMKLYINGE LKQSQKIEDL DEVKLDKTIV FGIDENIDEN QMLWIRDFNI DATA SEQUENCE FSKELSNEDI NIVYEGQILR NVIKDYWGNP LKFDTEYYII NDNYIDRYIA DATA SEQUENCE PESNVLVLVQ YPDRSKLYTG NPITIKSVSD KNPYSRILNG DNIILHMLYN DATA SEQUENCE SRKYMIIRDT DTIXXXXXXX XXXNCVYALK LQSNLGNYGI GIFSIKNIVS DATA SEQUENCE KNKYCSQIFS SFRENTMLLA DIYKPWRFSF KNAYTPVAVT NYETKLLSTS DATA SEQUENCE SFWKFISRDP GWVE 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 863 S HA 0.000 nan 4.470 nan 0.000 0.327 863 S C 0.000 174.637 174.600 0.061 0.000 1.055 863 S CA 0.000 58.228 58.200 0.046 0.000 1.107 863 S CB 0.000 63.218 63.200 0.031 0.000 0.593 864 I N 2.964 123.566 120.570 0.053 0.000 2.194 864 I HA -0.213 3.956 4.170 -0.002 0.000 0.246 864 I C 1.852 178.083 176.117 0.190 0.000 1.093 864 I CA 1.532 62.873 61.300 0.068 0.000 1.355 864 I CB -0.361 37.648 38.000 0.016 0.000 1.046 864 I HN 0.345 nan 8.210 nan 0.000 0.413 865 N N 0.720 119.526 118.700 0.178 0.000 2.443 865 N HA -0.165 4.574 4.740 -0.002 0.000 0.184 865 N C 1.230 176.827 175.510 0.146 0.000 1.037 865 N CA 0.981 54.148 53.050 0.194 0.000 0.896 865 N CB -0.481 38.082 38.487 0.127 0.000 0.959 865 N HN 0.344 nan 8.380 nan 0.000 0.442 866 D N -0.420 120.056 120.400 0.126 0.000 2.218 866 D HA -0.082 4.556 4.640 -0.002 0.000 0.204 866 D C 1.550 177.932 176.300 0.136 0.000 0.976 866 D CA 0.876 54.944 54.000 0.113 0.000 0.853 866 D CB -0.237 40.617 40.800 0.089 0.000 0.939 866 D HN 0.343 nan 8.370 nan 0.000 0.481 867 S N -0.645 115.155 115.700 0.167 0.000 2.593 867 S HA 0.062 4.530 4.470 -0.002 0.000 0.217 867 S C 0.719 175.381 174.600 0.103 0.000 0.966 867 S CA -0.372 57.926 58.200 0.163 0.000 0.914 867 S CB -0.017 63.297 63.200 0.190 0.000 0.776 867 S HN -0.007 nan 8.310 nan 0.000 0.523 868 K N 1.846 122.257 120.400 0.019 0.000 2.447 868 K HA 0.183 4.502 4.320 -0.002 0.000 0.281 868 K C 0.746 177.277 176.600 -0.115 0.000 1.031 868 K CA 0.185 56.328 56.287 -0.239 0.000 1.019 868 K CB 0.388 32.737 32.500 -0.252 0.000 0.918 868 K HN 0.559 nan 8.250 nan 0.000 0.476 869 I N 0.526 120.950 120.570 -0.243 0.000 4.154 869 I HA 0.241 4.409 4.170 -0.002 0.000 0.334 869 I C -0.530 175.467 176.117 -0.199 0.000 1.371 869 I CA -0.394 60.653 61.300 -0.421 0.000 1.110 869 I CB 0.495 38.154 38.000 -0.569 0.000 1.085 869 I HN 0.244 nan 8.210 nan 0.000 0.398 870 L N 0.550 121.719 121.223 -0.090 0.000 2.565 870 L HA 0.659 4.997 4.340 -0.002 0.000 0.261 870 L C -1.435 175.453 176.870 0.030 0.000 0.932 870 L CA -0.263 54.608 54.840 0.051 0.000 0.878 870 L CB 2.267 44.419 42.059 0.155 0.000 1.333 870 L HN 0.039 nan 8.230 nan 0.000 0.409 871 S N 5.350 121.106 115.700 0.093 0.000 2.737 871 S HA 0.615 5.084 4.470 -0.002 0.000 0.269 871 S C -1.248 173.442 174.600 0.151 0.000 1.150 871 S CA -0.520 57.735 58.200 0.092 0.000 1.077 871 S CB 0.460 63.678 63.200 0.030 0.000 1.075 871 S HN 0.636 nan 8.310 nan 0.000 0.476 872 L N 5.063 126.423 121.223 0.229 0.000 2.283 872 L HA 0.494 4.833 4.340 -0.002 0.000 0.287 872 L C 0.282 177.254 176.870 0.170 0.000 1.073 872 L CA -0.068 54.885 54.840 0.188 0.000 0.822 872 L CB 0.755 42.935 42.059 0.201 0.000 1.186 872 L HN 0.602 nan 8.230 nan 0.000 0.436 873 Q N 2.398 122.267 119.800 0.116 0.000 2.421 873 Q HA 0.329 4.667 4.340 -0.002 0.000 0.280 873 Q C -0.926 175.121 176.000 0.079 0.000 1.085 873 Q CA -0.963 54.902 55.803 0.103 0.000 0.807 873 Q CB 2.933 31.721 28.738 0.083 0.000 1.405 873 Q HN 0.429 nan 8.270 nan 0.000 0.419 874 N N 2.140 120.887 118.700 0.078 0.000 2.414 874 N HA 0.142 4.880 4.740 -0.002 0.000 0.256 874 N C -1.399 174.139 175.510 0.046 0.000 1.029 874 N CA 0.074 53.162 53.050 0.063 0.000 0.948 874 N CB 0.593 39.124 38.487 0.074 0.000 1.102 874 N HN 0.325 nan 8.380 nan 0.000 0.496 875 K N 3.019 123.441 120.400 0.037 0.000 2.471 875 K HA 0.201 4.520 4.320 -0.002 0.000 0.252 875 K C -0.192 176.422 176.600 0.023 0.000 0.938 875 K CA -0.537 55.767 56.287 0.029 0.000 0.796 875 K CB 1.537 34.054 32.500 0.028 0.000 1.161 875 K HN 0.519 nan 8.250 nan 0.000 0.425 876 K N 1.863 122.275 120.400 0.021 0.000 3.156 876 K HA -0.277 4.042 4.320 -0.002 0.000 0.266 876 K C -0.727 175.883 176.600 0.017 0.000 0.966 876 K CA 0.934 57.231 56.287 0.017 0.000 0.719 876 K CB -1.566 30.942 32.500 0.014 0.000 1.333 876 K HN 0.972 nan 8.250 nan 0.000 0.468 877 N N -2.618 116.095 118.700 0.022 0.000 2.741 877 N HA -0.260 4.478 4.740 -0.002 0.000 0.251 877 N C -0.409 175.113 175.510 0.020 0.000 1.112 877 N CA 0.704 53.768 53.050 0.023 0.000 0.750 877 N CB -0.462 38.037 38.487 0.019 0.000 1.119 877 N HN 0.637 nan 8.380 nan 0.000 0.561 878 A N -0.025 122.807 122.820 0.019 0.000 2.454 878 A HA 0.758 5.076 4.320 -0.002 0.000 0.302 878 A C -0.796 176.795 177.584 0.013 0.000 1.079 878 A CA -0.586 51.457 52.037 0.010 0.000 0.731 878 A CB 1.354 20.356 19.000 0.004 0.000 1.299 878 A HN 0.150 nan 8.150 nan 0.000 0.413 879 L N 2.779 123.999 121.223 -0.006 0.000 2.260 879 L HA 0.612 4.951 4.340 -0.002 0.000 0.289 879 L C -0.110 176.749 176.870 -0.017 0.000 1.057 879 L CA 0.097 54.931 54.840 -0.011 0.000 0.811 879 L CB 0.927 42.945 42.059 -0.068 0.000 1.184 879 L HN 0.854 nan 8.230 nan 0.000 0.429 880 V N 1.124 121.047 119.914 0.014 0.000 3.141 880 V HA 0.629 4.748 4.120 -0.002 0.000 0.312 880 V C -0.790 175.333 176.094 0.049 0.000 1.157 880 V CA -0.996 61.318 62.300 0.023 0.000 1.041 880 V CB 1.901 33.739 31.823 0.026 0.000 1.071 880 V HN 0.655 nan 8.190 nan 0.000 0.441 881 D N 1.726 122.162 120.400 0.061 0.000 2.325 881 D HA 0.375 5.014 4.640 -0.002 0.000 0.251 881 D C 1.045 177.394 176.300 0.082 0.000 1.196 881 D CA 0.624 54.678 54.000 0.089 0.000 0.866 881 D CB 1.495 42.359 40.800 0.107 0.000 1.101 881 D HN 0.991 nan 8.370 nan 0.000 0.476 882 T N -0.452 114.152 114.554 0.082 0.000 3.134 882 T HA 0.035 4.384 4.350 -0.002 0.000 0.260 882 T C 1.530 176.277 174.700 0.077 0.000 1.027 882 T CA 0.244 62.385 62.100 0.068 0.000 0.913 882 T CB -0.257 68.645 68.868 0.057 0.000 1.046 882 T HN 0.227 nan 8.240 nan 0.000 0.553 883 S N 0.834 116.602 115.700 0.114 0.000 2.447 883 S HA 0.312 4.781 4.470 -0.002 0.000 0.233 883 S C 2.132 176.832 174.600 0.166 0.000 1.006 883 S CA 0.807 59.105 58.200 0.165 0.000 0.957 883 S CB -0.755 62.589 63.200 0.240 0.000 0.773 883 S HN 1.281 nan 8.310 nan 0.000 0.507 884 G N -0.137 108.717 108.800 0.091 0.000 2.218 884 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.216 884 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.216 884 G C 0.415 175.237 174.900 -0.130 0.000 0.994 884 G CA 0.197 45.265 45.100 -0.054 0.000 0.637 884 G HN 0.551 nan 8.290 nan 0.000 0.505 885 Y N 0.747 121.071 120.300 0.040 0.000 2.466 885 Y HA 0.312 4.861 4.550 -0.003 0.000 0.272 885 Y C 1.423 177.353 175.900 0.049 0.000 1.169 885 Y CA 0.473 58.602 58.100 0.048 0.000 1.285 885 Y CB -0.016 38.479 38.460 0.058 0.000 1.078 885 Y HN 0.422 nan 8.280 nan 0.000 0.523 886 N N -0.811 117.977 118.700 0.148 0.000 2.754 886 N HA -0.183 4.556 4.740 -0.002 0.000 0.248 886 N C -0.156 175.416 175.510 0.104 0.000 1.093 886 N CA 0.026 53.134 53.050 0.097 0.000 0.699 886 N CB -0.964 37.562 38.487 0.064 0.000 1.016 886 N HN 0.329 nan 8.380 nan 0.000 0.552 887 A N 0.601 123.495 122.820 0.124 0.000 2.483 887 A HA 0.121 4.440 4.320 -0.002 0.000 0.238 887 A C 0.668 178.294 177.584 0.070 0.000 1.070 887 A CA 0.191 52.290 52.037 0.103 0.000 0.770 887 A CB 0.355 19.427 19.000 0.119 0.000 1.008 887 A HN 0.393 nan 8.150 nan 0.000 0.497 888 E N 1.303 121.536 120.200 0.054 0.000 2.289 888 E HA 0.431 4.779 4.350 -0.002 0.000 0.278 888 E C -1.302 175.312 176.600 0.022 0.000 1.032 888 E CA -0.314 56.106 56.400 0.032 0.000 0.854 888 E CB 0.657 30.371 29.700 0.023 0.000 1.046 888 E HN 0.351 nan 8.360 nan 0.000 0.409 889 V N 6.243 126.160 119.914 0.004 0.000 2.376 889 V HA 0.349 4.468 4.120 -0.002 0.000 0.287 889 V C -0.342 175.726 176.094 -0.043 0.000 1.015 889 V CA -0.694 61.592 62.300 -0.024 0.000 0.834 889 V CB 1.317 33.117 31.823 -0.038 0.000 1.001 889 V HN 0.656 nan 8.190 nan 0.000 0.428 890 R N 3.620 124.090 120.500 -0.050 0.000 2.239 890 R HA 0.592 4.930 4.340 -0.002 0.000 0.332 890 R C -0.952 175.300 176.300 -0.081 0.000 0.988 890 R CA -0.486 55.583 56.100 -0.051 0.000 0.859 890 R CB 1.801 32.080 30.300 -0.035 0.000 1.148 890 R HN 0.524 nan 8.270 nan 0.000 0.482 891 V N 2.672 122.533 119.914 -0.089 0.000 2.432 891 V HA 0.284 4.403 4.120 -0.002 0.000 0.275 891 V C 1.131 177.180 176.094 -0.074 0.000 1.043 891 V CA -0.723 61.508 62.300 -0.114 0.000 0.925 891 V CB 1.442 33.194 31.823 -0.119 0.000 0.985 891 V HN 0.902 nan 8.190 nan 0.000 0.466 892 G N 2.735 111.492 108.800 -0.072 0.000 2.484 892 G HA2 0.037 3.995 3.960 -0.002 0.000 0.235 892 G HA3 0.037 3.995 3.960 -0.002 0.000 0.235 892 G C 0.581 175.460 174.900 -0.036 0.000 1.282 892 G CA -0.272 44.800 45.100 -0.046 0.000 0.857 892 G HN 0.797 nan 8.290 nan 0.000 0.571 893 D N 1.127 121.511 120.400 -0.026 0.000 2.182 893 D HA -0.112 4.527 4.640 -0.002 0.000 0.201 893 D C 1.853 178.144 176.300 -0.016 0.000 0.986 893 D CA 1.265 55.254 54.000 -0.019 0.000 0.847 893 D CB 0.125 40.915 40.800 -0.016 0.000 0.942 893 D HN 0.608 nan 8.370 nan 0.000 0.467 894 N N -0.503 118.186 118.700 -0.017 0.000 2.280 894 N HA 0.048 4.786 4.740 -0.002 0.000 0.192 894 N C -0.285 175.217 175.510 -0.013 0.000 1.109 894 N CA -0.179 52.863 53.050 -0.015 0.000 0.855 894 N CB 1.122 39.599 38.487 -0.018 0.000 0.974 894 N HN -0.121 nan 8.380 nan 0.000 0.482 895 V N 2.228 122.133 119.914 -0.015 0.000 2.479 895 V HA 0.010 4.129 4.120 -0.002 0.000 0.281 895 V C 0.280 176.386 176.094 0.021 0.000 1.031 895 V CA 0.025 62.322 62.300 -0.004 0.000 1.038 895 V CB 0.786 32.596 31.823 -0.022 0.000 0.981 895 V HN 0.254 nan 8.190 nan 0.000 0.478 896 Q N 5.052 124.875 119.800 0.039 0.000 2.279 896 Q HA 0.511 4.849 4.340 -0.002 0.000 0.256 896 Q C -0.805 175.271 176.000 0.126 0.000 0.937 896 Q CA -0.233 55.610 55.803 0.068 0.000 0.933 896 Q CB 1.452 30.229 28.738 0.066 0.000 1.189 896 Q HN 0.610 nan 8.270 nan 0.000 0.417 897 L N 2.328 123.623 121.223 0.119 0.000 2.334 897 L HA 0.340 4.679 4.340 -0.002 0.000 0.272 897 L C 0.464 177.424 176.870 0.151 0.000 1.020 897 L CA -0.888 54.047 54.840 0.158 0.000 0.812 897 L CB 0.932 43.056 42.059 0.108 0.000 1.264 897 L HN 0.742 nan 8.230 nan 0.000 0.439 898 N N 0.649 119.456 118.700 0.178 0.000 2.714 898 N HA -0.187 4.551 4.740 -0.002 0.000 0.253 898 N C 0.651 176.232 175.510 0.118 0.000 1.024 898 N CA 0.939 54.071 53.050 0.136 0.000 0.726 898 N CB -0.494 38.047 38.487 0.091 0.000 0.908 898 N HN 0.952 nan 8.380 nan 0.000 0.542 899 T N -3.267 111.389 114.554 0.170 0.000 3.023 899 T HA 0.308 4.657 4.350 -0.002 0.000 0.249 899 T C 1.741 176.494 174.700 0.089 0.000 1.050 899 T CA 0.848 63.035 62.100 0.146 0.000 1.088 899 T CB 0.151 69.154 68.868 0.226 0.000 0.946 899 T HN 0.320 nan 8.240 nan 0.000 0.480 900 I N -2.148 118.478 120.570 0.094 0.000 3.739 900 I HA 0.378 4.547 4.170 -0.002 0.000 0.272 900 I C -0.254 175.675 176.117 -0.314 0.000 1.167 900 I CA -0.419 60.837 61.300 -0.072 0.000 1.386 900 I CB 0.736 38.766 38.000 0.050 0.000 1.490 900 I HN 0.059 nan 8.210 nan 0.000 0.452 901 Y N 0.569 120.819 120.300 -0.084 0.000 2.524 901 Y HA 0.267 4.816 4.550 -0.002 0.000 0.344 901 Y C 1.512 177.366 175.900 -0.076 0.000 1.012 901 Y CA -0.543 57.445 58.100 -0.186 0.000 1.068 901 Y CB 1.558 39.764 38.460 -0.423 0.000 1.249 901 Y HN -0.189 nan 8.280 nan 0.000 0.468 902 T N 0.247 114.855 114.554 0.089 0.000 2.653 902 T HA -0.183 4.166 4.350 -0.002 0.000 0.268 902 T C 0.812 175.572 174.700 0.100 0.000 1.035 902 T CA 1.759 63.900 62.100 0.069 0.000 1.154 902 T CB -0.186 68.708 68.868 0.043 0.000 0.862 902 T HN 0.518 nan 8.240 nan 0.000 0.441 903 N N 2.249 121.010 118.700 0.103 0.000 2.376 903 N HA 0.117 4.856 4.740 -0.002 0.000 0.249 903 N C -0.588 175.048 175.510 0.210 0.000 1.140 903 N CA -0.077 53.060 53.050 0.145 0.000 0.870 903 N CB 0.116 38.680 38.487 0.129 0.000 1.124 903 N HN 0.645 nan 8.380 nan 0.000 0.505 904 D N 0.365 120.897 120.400 0.221 0.000 2.332 904 D HA 0.435 5.074 4.640 -0.002 0.000 0.252 904 D C -0.162 176.355 176.300 0.360 0.000 1.050 904 D CA -0.563 53.595 54.000 0.263 0.000 0.970 904 D CB 0.702 41.727 40.800 0.375 0.000 1.141 904 D HN 0.074 nan 8.370 nan 0.000 0.485 905 F N -2.570 117.527 119.950 0.245 0.000 2.631 905 F HA 0.572 5.098 4.527 -0.003 0.000 0.308 905 F C -0.786 175.079 175.800 0.109 0.000 1.097 905 F CA -1.315 56.761 58.000 0.127 0.000 0.952 905 F CB 1.717 40.712 39.000 -0.009 0.000 1.307 905 F HN 0.368 nan 8.300 nan 0.000 0.450 906 K N 3.153 123.641 120.400 0.147 0.000 2.274 906 K HA 0.664 4.983 4.320 -0.002 0.000 0.262 906 K C -1.838 174.677 176.600 -0.142 0.000 0.961 906 K CA -0.616 55.532 56.287 -0.232 0.000 0.833 906 K CB 1.383 33.649 32.500 -0.391 0.000 1.102 906 K HN 0.915 nan 8.250 nan 0.000 0.436 907 L N 4.731 125.830 121.223 -0.207 0.000 2.264 907 L HA 0.265 4.604 4.340 -0.002 0.000 0.287 907 L C 0.485 177.218 176.870 -0.228 0.000 1.039 907 L CA -0.271 54.498 54.840 -0.119 0.000 0.829 907 L CB 1.309 43.356 42.059 -0.021 0.000 1.211 907 L HN 0.923 nan 8.230 nan 0.000 0.427 908 S N -1.064 114.523 115.700 -0.189 0.000 2.658 908 S HA 0.177 4.646 4.470 -0.002 0.000 0.277 908 S C 0.547 175.074 174.600 -0.123 0.000 1.078 908 S CA -0.347 57.729 58.200 -0.206 0.000 1.124 908 S CB 0.618 63.663 63.200 -0.259 0.000 1.016 908 S HN 0.372 nan 8.310 nan 0.000 0.543 909 S N 2.269 117.918 115.700 -0.086 0.000 2.608 909 S HA 0.648 5.117 4.470 -0.002 0.000 0.291 909 S C -0.172 174.403 174.600 -0.041 0.000 1.146 909 S CA -0.473 57.694 58.200 -0.055 0.000 1.043 909 S CB 1.555 64.730 63.200 -0.042 0.000 1.037 909 S HN 0.417 nan 8.310 nan 0.000 0.520 910 S N 1.508 117.191 115.700 -0.028 0.000 2.544 910 S HA 0.385 4.854 4.470 -0.002 0.000 0.290 910 S C 1.366 175.958 174.600 -0.014 0.000 1.276 910 S CA 0.626 58.816 58.200 -0.016 0.000 1.075 910 S CB 0.078 63.272 63.200 -0.009 0.000 0.849 910 S HN 1.243 nan 8.310 nan 0.000 0.494 911 G N 3.043 111.837 108.800 -0.010 0.000 2.159 911 G HA2 -0.215 3.743 3.960 -0.002 0.000 0.256 911 G HA3 -0.215 3.743 3.960 -0.002 0.000 0.256 911 G C -0.356 174.536 174.900 -0.013 0.000 0.977 911 G CA -0.170 44.924 45.100 -0.010 0.000 0.652 911 G HN 0.673 nan 8.290 nan 0.000 0.531 912 D N 1.110 121.500 120.400 -0.016 0.000 2.487 912 D HA 0.447 5.085 4.640 -0.002 0.000 0.243 912 D C 0.676 176.974 176.300 -0.004 0.000 1.154 912 D CA 0.952 54.943 54.000 -0.016 0.000 0.876 912 D CB 0.551 41.338 40.800 -0.022 0.000 1.161 912 D HN 0.448 nan 8.370 nan 0.000 0.478 913 K N 1.840 122.231 120.400 -0.015 0.000 2.527 913 K HA 0.539 4.857 4.320 -0.002 0.000 0.260 913 K C -0.799 175.770 176.600 -0.052 0.000 0.937 913 K CA -0.736 55.546 56.287 -0.009 0.000 0.826 913 K CB 2.079 34.570 32.500 -0.014 0.000 1.359 913 K HN 0.276 nan 8.250 nan 0.000 0.434 914 I N 3.604 124.145 120.570 -0.048 0.000 2.436 914 I HA 0.417 4.586 4.170 -0.002 0.000 0.289 914 I C -0.634 175.485 176.117 0.004 0.000 1.010 914 I CA -0.796 60.425 61.300 -0.132 0.000 1.098 914 I CB 1.604 39.327 38.000 -0.461 0.000 1.266 914 I HN 0.382 nan 8.210 nan 0.000 0.434 915 I N 6.631 127.186 120.570 -0.026 0.000 2.378 915 I HA 0.385 4.554 4.170 -0.002 0.000 0.291 915 I C -0.589 175.530 176.117 0.005 0.000 0.992 915 I CA -0.849 60.450 61.300 -0.003 0.000 1.154 915 I CB 1.997 39.982 38.000 -0.024 0.000 1.315 915 I HN 0.173 nan 8.210 nan 0.000 0.448 916 V N 6.233 126.169 119.914 0.037 0.000 2.384 916 V HA 0.342 4.460 4.120 -0.002 0.000 0.287 916 V C -0.247 175.871 176.094 0.040 0.000 1.020 916 V CA -0.755 61.577 62.300 0.053 0.000 0.850 916 V CB 1.481 33.379 31.823 0.125 0.000 0.987 916 V HN 0.625 nan 8.190 nan 0.000 0.436 917 N N 5.493 124.215 118.700 0.037 0.000 2.469 917 N HA 0.471 5.209 4.740 -0.002 0.000 0.253 917 N C -0.526 175.019 175.510 0.059 0.000 0.970 917 N CA -0.353 52.718 53.050 0.034 0.000 0.940 917 N CB 2.076 40.575 38.487 0.020 0.000 1.128 917 N HN 0.535 nan 8.380 nan 0.000 0.503 918 L N 1.666 122.931 121.223 0.070 0.000 2.439 918 L HA 0.166 4.505 4.340 -0.002 0.000 0.269 918 L C 1.051 177.975 176.870 0.090 0.000 1.179 918 L CA -0.204 54.692 54.840 0.093 0.000 0.828 918 L CB 0.381 42.502 42.059 0.104 0.000 1.106 918 L HN 0.392 nan 8.230 nan 0.000 0.467 919 N N 2.686 121.452 118.700 0.111 0.000 2.955 919 N HA 0.146 4.884 4.740 -0.002 0.000 0.242 919 N C -1.102 174.495 175.510 0.144 0.000 1.123 919 N CA -0.391 52.727 53.050 0.113 0.000 0.949 919 N CB -0.050 38.506 38.487 0.115 0.000 1.214 919 N HN 0.724 nan 8.380 nan 0.000 0.504 920 N N 0.893 119.671 118.700 0.130 0.000 3.201 920 N HA 0.225 4.963 4.740 -0.002 0.000 0.344 920 N C -0.382 175.221 175.510 0.154 0.000 1.465 920 N CA -0.678 52.464 53.050 0.153 0.000 0.731 920 N CB -0.076 38.496 38.487 0.141 0.000 1.677 920 N HN 0.067 nan 8.380 nan 0.000 0.631 921 N N -0.222 118.598 118.700 0.201 0.000 2.412 921 N HA -0.010 4.729 4.740 -0.002 0.000 0.258 921 N C 0.244 175.822 175.510 0.114 0.000 1.236 921 N CA 0.104 53.263 53.050 0.182 0.000 0.882 921 N CB 0.263 38.924 38.487 0.291 0.000 1.066 921 N HN 0.598 nan 8.380 nan 0.000 0.465 922 I N 1.537 122.131 120.570 0.040 0.000 4.082 922 I HA 0.132 4.301 4.170 -0.002 0.000 0.337 922 I C 1.292 177.369 176.117 -0.067 0.000 1.352 922 I CA -0.121 61.182 61.300 0.006 0.000 1.097 922 I CB 0.027 38.032 38.000 0.007 0.000 1.048 922 I HN 0.359 nan 8.210 nan 0.000 0.393 923 L N 0.394 121.516 121.223 -0.169 0.000 2.168 923 L HA 0.332 4.671 4.340 -0.002 0.000 0.203 923 L C 0.174 176.794 176.870 -0.418 0.000 1.078 923 L CA 1.229 55.852 54.840 -0.361 0.000 0.780 923 L CB -0.290 41.407 42.059 -0.604 0.000 0.939 923 L HN 0.139 nan 8.230 nan 0.000 0.451 924 Y N -0.184 120.034 120.300 -0.137 0.000 2.383 924 Y HA 0.264 4.813 4.550 -0.002 0.000 0.344 924 Y C 1.715 177.623 175.900 0.012 0.000 0.986 924 Y CA 0.314 58.349 58.100 -0.108 0.000 1.175 924 Y CB 1.245 39.529 38.460 -0.293 0.000 1.152 924 Y HN -0.025 nan 8.280 nan 0.000 0.511 925 S N 2.618 118.409 115.700 0.153 0.000 2.387 925 S HA 0.120 4.589 4.470 -0.002 0.000 0.226 925 S C 0.873 175.567 174.600 0.156 0.000 1.026 925 S CA 0.657 58.930 58.200 0.121 0.000 0.972 925 S CB -0.105 63.141 63.200 0.076 0.000 0.814 925 S HN 0.732 nan 8.310 nan 0.000 0.477 926 A N 1.069 124.003 122.820 0.189 0.000 2.311 926 A HA 0.631 4.950 4.320 -0.002 0.000 0.334 926 A C -0.028 177.698 177.584 0.236 0.000 1.139 926 A CA -0.749 51.393 52.037 0.174 0.000 0.830 926 A CB 0.348 19.426 19.000 0.131 0.000 1.234 926 A HN 0.329 nan 8.150 nan 0.000 0.483 927 I N 1.252 121.924 120.570 0.170 0.000 2.919 927 I HA -0.117 4.052 4.170 -0.002 0.000 0.303 927 I C 0.527 176.715 176.117 0.118 0.000 1.221 927 I CA 1.282 62.653 61.300 0.119 0.000 1.444 927 I CB -0.618 37.418 38.000 0.059 0.000 1.331 927 I HN 0.881 nan 8.210 nan 0.000 0.572 928 Y N 3.110 123.358 120.300 -0.086 0.000 2.610 928 Y HA 0.438 4.987 4.550 -0.002 0.000 0.254 928 Y C 0.142 175.950 175.900 -0.154 0.000 1.110 928 Y CA -0.709 57.271 58.100 -0.201 0.000 1.238 928 Y CB -0.063 38.069 38.460 -0.546 0.000 1.322 928 Y HN 0.609 nan 8.280 nan 0.000 0.547 929 E N -0.072 119.837 120.200 -0.485 0.000 2.429 929 E HA 0.381 4.729 4.350 -0.002 0.000 0.276 929 E C -1.192 175.286 176.600 -0.204 0.000 0.953 929 E CA -1.214 54.989 56.400 -0.329 0.000 0.787 929 E CB 0.924 30.365 29.700 -0.431 0.000 1.307 929 E HN -0.062 nan 8.360 nan 0.000 0.458 930 N N 0.456 119.083 118.700 -0.123 0.000 2.371 930 N HA 0.283 5.021 4.740 -0.002 0.000 0.243 930 N C -0.521 174.939 175.510 -0.082 0.000 1.287 930 N CA 0.268 53.270 53.050 -0.079 0.000 0.911 930 N CB 0.967 39.422 38.487 -0.053 0.000 1.142 930 N HN 0.656 nan 8.380 nan 0.000 0.451 931 S N -1.826 113.839 115.700 -0.058 0.000 2.615 931 S HA 0.740 5.209 4.470 -0.002 0.000 0.269 931 S C -1.194 173.372 174.600 -0.056 0.000 1.161 931 S CA -0.864 57.311 58.200 -0.042 0.000 0.817 931 S CB 1.411 64.591 63.200 -0.034 0.000 1.131 931 S HN 0.338 nan 8.310 nan 0.000 0.467 932 S N -0.015 115.671 115.700 -0.024 0.000 2.546 932 S HA 0.782 5.250 4.470 -0.002 0.000 0.274 932 S C -1.383 173.192 174.600 -0.042 0.000 1.121 932 S CA -0.693 57.452 58.200 -0.092 0.000 0.887 932 S CB 1.764 64.866 63.200 -0.163 0.000 1.094 932 S HN 0.853 nan 8.310 nan 0.000 0.474 933 V N 2.545 122.324 119.914 -0.225 0.000 2.588 933 V HA 0.824 4.943 4.120 -0.002 0.000 0.304 933 V C -0.353 175.568 176.094 -0.288 0.000 1.042 933 V CA -0.584 61.561 62.300 -0.260 0.000 0.877 933 V CB 1.725 33.310 31.823 -0.396 0.000 0.996 933 V HN 1.003 nan 8.190 nan 0.000 0.425 934 S N 4.304 119.901 115.700 -0.170 0.000 2.570 934 S HA 1.000 5.469 4.470 -0.002 0.000 0.286 934 S C -0.997 173.620 174.600 0.028 0.000 1.099 934 S CA -0.676 57.379 58.200 -0.242 0.000 0.913 934 S CB 2.433 65.608 63.200 -0.041 0.000 1.085 934 S HN 1.265 nan 8.310 nan 0.000 0.480 935 F N -2.727 117.169 119.950 -0.091 0.000 2.799 935 F HA 0.754 5.280 4.527 -0.002 0.000 0.316 935 F C -2.472 173.451 175.800 0.205 0.000 1.155 935 F CA -1.632 56.506 58.000 0.230 0.000 0.916 935 F CB 0.133 39.371 39.000 0.396 0.000 1.294 935 F HN 0.643 nan 8.300 nan 0.000 0.447 936 W N 2.638 124.199 121.300 0.436 0.000 2.516 936 W HA 0.823 5.481 4.660 -0.002 0.000 0.343 936 W C -0.743 176.056 176.519 0.466 0.000 1.094 936 W CA -0.995 56.564 57.345 0.356 0.000 1.250 936 W CB 1.642 31.298 29.460 0.326 0.000 1.308 936 W HN 0.724 nan 8.180 nan 0.000 0.588 937 I N 1.849 122.639 120.570 0.368 0.000 2.865 937 I HA 0.454 4.623 4.170 -0.002 0.000 0.302 937 I C -1.268 174.733 176.117 -0.192 0.000 1.140 937 I CA -1.229 60.132 61.300 0.102 0.000 1.021 937 I CB 2.092 40.096 38.000 0.006 0.000 1.233 937 I HN 0.412 nan 8.210 nan 0.000 0.427 938 K N 7.697 127.933 120.400 -0.274 0.000 2.601 938 K HA 0.576 4.895 4.320 -0.002 0.000 0.249 938 K C -2.079 174.523 176.600 0.003 0.000 0.966 938 K CA -0.492 55.602 56.287 -0.321 0.000 0.827 938 K CB 1.425 33.256 32.500 -1.115 0.000 1.178 938 K HN 0.562 nan 8.250 nan 0.000 0.437 939 I N 3.676 124.298 120.570 0.086 0.000 2.389 939 I HA 0.175 4.344 4.170 -0.002 0.000 0.288 939 I C 0.344 176.600 176.117 0.231 0.000 0.999 939 I CA -0.820 60.559 61.300 0.131 0.000 1.129 939 I CB 1.988 40.018 38.000 0.049 0.000 1.288 939 I HN 0.696 nan 8.210 nan 0.000 0.444 940 S N 5.061 120.877 115.700 0.194 0.000 2.576 940 S HA 0.054 4.522 4.470 -0.002 0.000 0.272 940 S C 1.165 175.857 174.600 0.153 0.000 1.352 940 S CA -0.291 58.020 58.200 0.185 0.000 1.021 940 S CB 1.146 64.401 63.200 0.093 0.000 0.887 940 S HN 0.818 nan 8.310 nan 0.000 0.542 941 K N 1.018 121.477 120.400 0.098 0.000 2.032 941 K HA -0.216 4.103 4.320 -0.002 0.000 0.209 941 K C 1.242 177.803 176.600 -0.065 0.000 1.048 941 K CA 2.255 58.513 56.287 -0.049 0.000 0.927 941 K CB -0.551 31.644 32.500 -0.508 0.000 0.712 941 K HN 0.741 nan 8.250 nan 0.000 0.441 942 D N 0.343 120.694 120.400 -0.081 0.000 2.178 942 D HA -0.142 4.497 4.640 -0.002 0.000 0.201 942 D C 1.663 177.947 176.300 -0.027 0.000 0.980 942 D CA 0.636 54.598 54.000 -0.063 0.000 0.842 942 D CB 0.013 40.773 40.800 -0.067 0.000 0.948 942 D HN 0.108 nan 8.370 nan 0.000 0.472 943 L N 0.226 121.429 121.223 -0.034 0.000 2.109 943 L HA -0.055 4.283 4.340 -0.002 0.000 0.207 943 L C 2.038 178.941 176.870 0.055 0.000 1.086 943 L CA 1.647 56.442 54.840 -0.074 0.000 0.760 943 L CB -0.847 41.131 42.059 -0.135 0.000 0.910 943 L HN -0.020 nan 8.230 nan 0.000 0.437 944 T N -0.272 114.361 114.554 0.130 0.000 2.821 944 T HA -0.102 4.247 4.350 -0.002 0.000 0.267 944 T C 1.584 176.350 174.700 0.109 0.000 1.046 944 T CA 1.295 63.511 62.100 0.194 0.000 1.139 944 T CB -0.266 68.758 68.868 0.260 0.000 0.871 944 T HN 0.280 nan 8.240 nan 0.000 0.454 945 N N 1.331 120.078 118.700 0.078 0.000 2.512 945 N HA 0.048 4.787 4.740 -0.002 0.000 0.183 945 N C 0.751 176.358 175.510 0.161 0.000 1.073 945 N CA 0.159 53.258 53.050 0.081 0.000 0.911 945 N CB -0.208 38.297 38.487 0.030 0.000 0.964 945 N HN 0.249 nan 8.380 nan 0.000 0.447 946 S N -0.384 115.426 115.700 0.182 0.000 2.564 946 S HA 0.059 4.527 4.470 -0.002 0.000 0.278 946 S C 0.954 175.729 174.600 0.290 0.000 1.333 946 S CA -0.307 58.051 58.200 0.263 0.000 1.048 946 S CB 0.480 63.894 63.200 0.356 0.000 0.900 946 S HN 0.322 nan 8.310 nan 0.000 0.505 947 H N 2.692 121.811 119.070 0.082 0.000 2.548 947 H HA 0.140 4.695 4.556 -0.002 0.000 0.265 947 H C 0.135 175.475 175.328 0.020 0.000 0.969 947 H CA -0.210 55.865 56.048 0.046 0.000 1.155 947 H CB 0.253 30.027 29.762 0.021 0.000 1.394 947 H HN 0.492 nan 8.280 nan 0.000 0.570 948 N N 1.682 120.453 118.700 0.118 0.000 2.424 948 N HA -0.006 4.732 4.740 -0.002 0.000 0.257 948 N C 0.211 175.585 175.510 -0.227 0.000 1.250 948 N CA 0.098 53.076 53.050 -0.120 0.000 0.946 948 N CB 1.185 39.492 38.487 -0.299 0.000 1.175 948 N HN 0.392 nan 8.380 nan 0.000 0.477 949 E N 0.468 120.457 120.200 -0.352 0.000 2.191 949 E HA 0.287 4.635 4.350 -0.002 0.000 0.278 949 E C -1.346 174.984 176.600 -0.449 0.000 0.972 949 E CA -0.465 55.795 56.400 -0.234 0.000 0.804 949 E CB 0.582 30.218 29.700 -0.106 0.000 1.110 949 E HN 0.402 nan 8.360 nan 0.000 0.394 950 Y N 1.452 121.777 120.300 0.043 0.000 2.391 950 Y HA 0.266 4.815 4.550 -0.003 0.000 0.341 950 Y C -0.026 175.890 175.900 0.026 0.000 0.965 950 Y CA -0.900 57.220 58.100 0.032 0.000 1.067 950 Y CB 2.367 40.854 38.460 0.046 0.000 1.199 950 Y HN 0.327 nan 8.280 nan 0.000 0.450 951 T N 4.641 119.268 114.554 0.123 0.000 2.771 951 T HA 0.275 4.624 4.350 -0.002 0.000 0.291 951 T C 0.847 175.587 174.700 0.066 0.000 0.954 951 T CA -0.224 61.910 62.100 0.056 0.000 1.045 951 T CB 0.642 69.496 68.868 -0.023 0.000 0.917 951 T HN 0.487 nan 8.240 nan 0.000 0.484 952 I N 2.308 122.913 120.570 0.057 0.000 3.300 952 I HA 0.338 4.507 4.170 -0.002 0.000 0.279 952 I C 0.623 176.730 176.117 -0.017 0.000 1.172 952 I CA 0.669 62.005 61.300 0.061 0.000 1.431 952 I CB -0.114 37.952 38.000 0.110 0.000 1.240 952 I HN 0.507 nan 8.210 nan 0.000 0.453 953 I N 0.862 121.378 120.570 -0.090 0.000 2.686 953 I HA 0.410 4.578 4.170 -0.002 0.000 0.295 953 I C -0.731 175.205 176.117 -0.303 0.000 1.114 953 I CA -0.619 60.505 61.300 -0.293 0.000 1.038 953 I CB 2.434 40.271 38.000 -0.272 0.000 1.238 953 I HN -0.033 nan 8.210 nan 0.000 0.420 954 N N 2.080 120.486 118.700 -0.490 0.000 2.455 954 N HA 0.242 4.981 4.740 -0.002 0.000 0.285 954 N C -0.297 174.773 175.510 -0.734 0.000 1.080 954 N CA -0.356 52.370 53.050 -0.540 0.000 0.932 954 N CB 2.158 40.445 38.487 -0.334 0.000 1.610 954 N HN 0.644 nan 8.380 nan 0.000 0.493 955 S N 2.125 117.212 115.700 -1.021 0.000 2.559 955 S HA 0.353 4.821 4.470 -0.002 0.000 0.226 955 S C 0.511 174.793 174.600 -0.529 0.000 1.000 955 S CA -0.364 57.314 58.200 -0.870 0.000 0.948 955 S CB -0.342 62.078 63.200 -1.300 0.000 0.870 955 S HN 0.511 nan 8.310 nan 0.000 0.497 956 I N 2.551 122.860 120.570 -0.437 0.000 2.379 956 I HA 0.235 4.403 4.170 -0.002 0.000 0.290 956 I C 1.070 177.068 176.117 -0.198 0.000 1.063 956 I CA -0.024 61.115 61.300 -0.267 0.000 1.351 956 I CB 0.882 38.749 38.000 -0.221 0.000 1.410 956 I HN 0.312 nan 8.210 nan 0.000 0.505 957 E N 3.655 123.765 120.200 -0.150 0.000 2.206 957 E HA -0.044 4.305 4.350 -0.002 0.000 0.195 957 E C 1.058 177.609 176.600 -0.082 0.000 0.935 957 E CA 0.339 56.672 56.400 -0.111 0.000 0.875 957 E CB 0.426 30.070 29.700 -0.093 0.000 0.841 957 E HN 0.638 nan 8.360 nan 0.000 0.477 958 Q N -0.204 119.554 119.800 -0.070 0.000 2.505 958 Q HA 0.217 4.556 4.340 -0.002 0.000 0.184 958 Q C 1.442 177.413 176.000 -0.049 0.000 0.878 958 Q CA 0.364 56.137 55.803 -0.049 0.000 0.811 958 Q CB -0.095 28.623 28.738 -0.033 0.000 1.118 958 Q HN 0.071 nan 8.270 nan 0.000 0.605 959 N N 0.445 119.123 118.700 -0.037 0.000 2.612 959 N HA 0.043 4.782 4.740 -0.002 0.000 0.224 959 N C 0.572 176.067 175.510 -0.026 0.000 1.051 959 N CA 0.557 53.590 53.050 -0.027 0.000 0.889 959 N CB 0.708 39.190 38.487 -0.007 0.000 1.449 959 N HN 0.224 nan 8.380 nan 0.000 0.442 960 S N -0.284 115.405 115.700 -0.019 0.000 2.646 960 S HA 0.793 5.262 4.470 -0.002 0.000 0.276 960 S C 0.543 175.117 174.600 -0.043 0.000 1.222 960 S CA 0.184 58.382 58.200 -0.005 0.000 1.014 960 S CB 2.181 65.396 63.200 0.025 0.000 0.991 960 S HN 0.502 nan 8.310 nan 0.000 0.533 961 G N 0.428 109.216 108.800 -0.020 0.000 2.325 961 G HA2 0.223 4.182 3.960 -0.002 0.000 0.285 961 G HA3 0.223 4.182 3.960 -0.002 0.000 0.285 961 G C -1.385 173.495 174.900 -0.035 0.000 1.303 961 G CA -0.456 44.590 45.100 -0.090 0.000 0.970 961 G HN 1.324 nan 8.290 nan 0.000 0.490 962 W N 0.235 121.454 121.300 -0.136 0.000 2.902 962 W HA 0.850 5.509 4.660 -0.002 0.000 0.346 962 W C -0.614 175.624 176.519 -0.468 0.000 1.139 962 W CA -0.913 56.242 57.345 -0.317 0.000 1.139 962 W CB 1.633 30.917 29.460 -0.294 0.000 1.439 962 W HN 1.043 nan 8.180 nan 0.000 0.558 963 K N 0.731 120.936 120.400 -0.325 0.000 2.551 963 K HA 0.715 5.033 4.320 -0.002 0.000 0.269 963 K C -2.393 173.979 176.600 -0.380 0.000 0.949 963 K CA -0.980 55.116 56.287 -0.319 0.000 0.849 963 K CB 2.450 34.791 32.500 -0.265 0.000 1.411 963 K HN 0.429 nan 8.250 nan 0.000 0.432 964 L N 1.741 122.878 121.223 -0.142 0.000 2.296 964 L HA 0.568 4.906 4.340 -0.002 0.000 0.286 964 L C -1.477 175.452 176.870 0.099 0.000 1.023 964 L CA 0.058 54.952 54.840 0.089 0.000 0.812 964 L CB 1.333 43.575 42.059 0.306 0.000 1.223 964 L HN 0.918 nan 8.230 nan 0.000 0.421 965 C N 4.689 124.076 119.300 0.145 0.000 2.667 965 C HA 0.662 5.121 4.460 -0.002 0.000 0.323 965 C C -0.082 175.043 174.990 0.224 0.000 1.214 965 C CA -1.069 58.036 59.018 0.145 0.000 1.721 965 C CB 1.479 29.269 27.740 0.083 0.000 2.275 965 C HN 0.724 nan 8.230 nan 0.000 0.491 966 I N 1.690 122.410 120.570 0.251 0.000 2.509 966 I HA 0.642 4.810 4.170 -0.002 0.000 0.293 966 I C -0.163 176.128 176.117 0.291 0.000 1.020 966 I CA -0.367 61.121 61.300 0.314 0.000 1.088 966 I CB 1.486 39.687 38.000 0.335 0.000 1.267 966 I HN 0.599 nan 8.210 nan 0.000 0.430 967 R N 4.657 125.302 120.500 0.243 0.000 2.542 967 R HA 0.218 4.557 4.340 -0.002 0.000 0.284 967 R C -0.532 175.817 176.300 0.083 0.000 1.167 967 R CA -0.526 55.665 56.100 0.151 0.000 1.000 967 R CB 0.754 31.104 30.300 0.084 0.000 1.229 967 R HN 0.709 nan 8.270 nan 0.000 0.416 968 N N 2.896 121.627 118.700 0.052 0.000 2.725 968 N HA -0.200 4.539 4.740 -0.002 0.000 0.251 968 N C 0.408 175.847 175.510 -0.119 0.000 1.031 968 N CA 2.070 55.068 53.050 -0.086 0.000 0.720 968 N CB -0.982 37.387 38.487 -0.197 0.000 0.930 968 N HN 1.108 nan 8.380 nan 0.000 0.543 969 G N -1.429 107.313 108.800 -0.096 0.000 2.148 969 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.254 969 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.254 969 G C -0.179 174.379 174.900 -0.571 0.000 0.981 969 G CA 0.336 45.170 45.100 -0.444 0.000 0.670 969 G HN 0.664 nan 8.290 nan 0.000 0.528 970 N N -0.004 118.649 118.700 -0.077 0.000 2.319 970 N HA 0.669 5.407 4.740 -0.002 0.000 0.305 970 N C 0.227 175.977 175.510 0.400 0.000 1.103 970 N CA -0.320 52.783 53.050 0.088 0.000 0.815 970 N CB 1.965 40.479 38.487 0.046 0.000 1.288 970 N HN 0.530 nan 8.380 nan 0.000 0.493 971 I N -1.957 118.908 120.570 0.493 0.000 2.460 971 I HA 0.562 4.730 4.170 -0.002 0.000 0.298 971 I C -0.142 176.195 176.117 0.368 0.000 0.989 971 I CA -0.596 60.980 61.300 0.461 0.000 1.173 971 I CB 1.818 40.138 38.000 0.534 0.000 1.338 971 I HN 0.400 nan 8.210 nan 0.000 0.456 972 E N 6.026 126.423 120.200 0.328 0.000 2.256 972 E HA 0.244 4.593 4.350 -0.002 0.000 0.268 972 E C -2.135 174.673 176.600 0.346 0.000 0.877 972 E CA -0.808 55.767 56.400 0.292 0.000 0.757 972 E CB 2.041 31.859 29.700 0.197 0.000 1.183 972 E HN 0.757 nan 8.360 nan 0.000 0.418 973 W N 7.525 128.927 121.300 0.171 0.000 2.478 973 W HA 0.455 5.114 4.660 -0.002 0.000 0.318 973 W C -1.590 175.026 176.519 0.163 0.000 1.062 973 W CA -0.700 56.748 57.345 0.172 0.000 1.210 973 W CB 1.090 30.633 29.460 0.138 0.000 1.325 973 W HN 0.439 nan 8.180 nan 0.000 0.496 974 I N 7.367 127.834 120.570 -0.171 0.000 2.465 974 I HA 0.301 4.469 4.170 -0.002 0.000 0.291 974 I C -0.786 175.302 176.117 -0.048 0.000 1.014 974 I CA -1.040 60.250 61.300 -0.017 0.000 1.093 974 I CB 1.802 39.746 38.000 -0.093 0.000 1.267 974 I HN 0.263 nan 8.210 nan 0.000 0.431 975 L N 6.472 127.804 121.223 0.180 0.000 2.341 975 L HA 0.528 4.867 4.340 -0.002 0.000 0.278 975 L C -0.667 176.321 176.870 0.196 0.000 1.005 975 L CA -0.032 54.937 54.840 0.216 0.000 0.818 975 L CB 1.691 43.927 42.059 0.296 0.000 1.259 975 L HN 0.700 nan 8.230 nan 0.000 0.418 976 Q N 2.352 122.239 119.800 0.145 0.000 2.347 976 Q HA 0.445 4.783 4.340 -0.002 0.000 0.271 976 Q C -1.472 174.585 176.000 0.096 0.000 1.064 976 Q CA -0.827 55.056 55.803 0.133 0.000 0.800 976 Q CB 2.024 30.803 28.738 0.068 0.000 1.304 976 Q HN 0.804 nan 8.270 nan 0.000 0.438 977 D N 0.820 121.274 120.400 0.090 0.000 2.529 977 D HA 0.096 4.734 4.640 -0.002 0.000 0.273 977 D C 1.162 177.490 176.300 0.047 0.000 1.197 977 D CA -0.233 53.806 54.000 0.065 0.000 1.070 977 D CB 0.400 41.234 40.800 0.056 0.000 1.134 977 D HN 0.335 nan 8.370 nan 0.000 0.590 978 V N -2.130 117.807 119.914 0.038 0.000 2.867 978 V HA -0.101 4.018 4.120 -0.002 0.000 0.260 978 V C 0.780 176.889 176.094 0.024 0.000 1.099 978 V CA 1.227 63.543 62.300 0.027 0.000 1.122 978 V CB -0.955 30.884 31.823 0.026 0.000 0.708 978 V HN 0.455 nan 8.190 nan 0.000 0.490 979 N N 0.553 119.272 118.700 0.031 0.000 2.230 979 N HA 0.210 4.949 4.740 -0.002 0.000 0.202 979 N C 0.611 176.146 175.510 0.041 0.000 1.119 979 N CA 0.222 53.289 53.050 0.029 0.000 0.851 979 N CB 0.254 38.756 38.487 0.025 0.000 0.990 979 N HN 0.567 nan 8.380 nan 0.000 0.497 980 R N 0.039 120.571 120.500 0.053 0.000 3.951 980 R HA -0.166 4.173 4.340 -0.002 0.000 0.352 980 R C 0.031 176.420 176.300 0.148 0.000 1.178 980 R CA 0.664 56.813 56.100 0.083 0.000 0.949 980 R CB -1.648 28.688 30.300 0.060 0.000 1.452 980 R HN 0.241 nan 8.270 nan 0.000 0.540 981 K N 1.445 121.907 120.400 0.104 0.000 2.368 981 K HA 0.177 4.496 4.320 -0.002 0.000 0.282 981 K C -0.371 176.312 176.600 0.138 0.000 1.035 981 K CA -0.158 56.175 56.287 0.077 0.000 0.973 981 K CB 0.410 32.920 32.500 0.017 0.000 0.957 981 K HN 0.166 nan 8.250 nan 0.000 0.474 982 Y N 1.029 121.342 120.300 0.021 0.000 2.609 982 Y HA 0.596 5.144 4.550 -0.002 0.000 0.342 982 Y C -1.392 174.533 175.900 0.042 0.000 1.058 982 Y CA -1.345 56.774 58.100 0.032 0.000 1.055 982 Y CB 1.230 39.706 38.460 0.026 0.000 1.292 982 Y HN 0.216 nan 8.280 nan 0.000 0.476 983 K N 1.431 121.948 120.400 0.195 0.000 2.318 983 K HA 0.615 4.934 4.320 -0.002 0.000 0.249 983 K C -1.261 175.523 176.600 0.308 0.000 0.942 983 K CA -0.816 55.555 56.287 0.139 0.000 0.808 983 K CB 2.111 34.671 32.500 0.101 0.000 1.189 983 K HN 0.821 nan 8.250 nan 0.000 0.428 984 S N 2.351 118.208 115.700 0.262 0.000 2.526 984 S HA 0.717 5.185 4.470 -0.002 0.000 0.293 984 S C -1.176 173.558 174.600 0.223 0.000 1.092 984 S CA -0.795 57.578 58.200 0.287 0.000 0.980 984 S CB 0.579 63.970 63.200 0.319 0.000 1.048 984 S HN 0.444 nan 8.310 nan 0.000 0.483 985 L N 4.687 126.062 121.223 0.254 0.000 2.381 985 L HA 0.669 5.008 4.340 -0.002 0.000 0.274 985 L C -0.852 176.150 176.870 0.220 0.000 0.988 985 L CA -0.613 54.346 54.840 0.198 0.000 0.824 985 L CB 1.749 43.910 42.059 0.169 0.000 1.263 985 L HN 0.605 nan 8.230 nan 0.000 0.410 986 I N 2.617 123.295 120.570 0.181 0.000 2.608 986 I HA 0.471 4.639 4.170 -0.002 0.000 0.295 986 I C -1.316 174.951 176.117 0.250 0.000 1.049 986 I CA -0.620 60.803 61.300 0.206 0.000 1.063 986 I CB 2.618 40.707 38.000 0.149 0.000 1.248 986 I HN 0.377 nan 8.210 nan 0.000 0.424 987 F N 4.980 124.991 119.950 0.101 0.000 2.539 987 F HA 0.366 4.892 4.527 -0.002 0.000 0.318 987 F C -0.563 175.290 175.800 0.088 0.000 1.135 987 F CA -0.962 57.074 58.000 0.059 0.000 0.915 987 F CB 1.321 40.338 39.000 0.027 0.000 1.176 987 F HN 0.349 nan 8.300 nan 0.000 0.440 988 D N 5.332 125.371 120.400 -0.602 0.000 2.402 988 D HA 0.028 4.667 4.640 -0.002 0.000 0.235 988 D C 0.542 176.194 176.300 -1.080 0.000 1.226 988 D CA -0.025 53.601 54.000 -0.624 0.000 0.918 988 D CB 0.065 40.650 40.800 -0.360 0.000 1.043 988 D HN 0.579 nan 8.370 nan 0.000 0.506 989 Y N 1.781 121.568 120.300 -0.855 0.000 2.519 989 Y HA 0.107 4.655 4.550 -0.003 0.000 0.287 989 Y C 1.970 177.790 175.900 -0.133 0.000 1.128 989 Y CA 0.405 58.113 58.100 -0.653 0.000 1.282 989 Y CB -0.256 37.989 38.460 -0.359 0.000 1.027 989 Y HN 0.258 nan 8.280 nan 0.000 0.551 990 S N 0.475 115.776 115.700 -0.664 0.000 2.421 990 S HA -0.069 4.400 4.470 -0.002 0.000 0.224 990 S C 0.676 175.186 174.600 -0.149 0.000 1.035 990 S CA 0.745 58.733 58.200 -0.353 0.000 0.953 990 S CB -0.488 62.431 63.200 -0.468 0.000 0.810 990 S HN 0.577 nan 8.310 nan 0.000 0.497 991 E N 0.894 120.977 120.200 -0.195 0.000 2.228 991 E HA -0.149 4.200 4.350 -0.002 0.000 0.213 991 E C -0.229 176.335 176.600 -0.060 0.000 1.282 991 E CA 0.402 56.736 56.400 -0.110 0.000 0.707 991 E CB -2.191 27.469 29.700 -0.067 0.000 1.150 991 E HN 0.478 nan 8.360 nan 0.000 0.362 992 S N -0.979 114.677 115.700 -0.074 0.000 3.614 992 S HA -0.257 4.211 4.470 -0.002 0.000 0.360 992 S C 0.787 175.404 174.600 0.028 0.000 1.023 992 S CA 0.835 59.019 58.200 -0.028 0.000 1.114 992 S CB -1.188 62.002 63.200 -0.016 0.000 0.907 992 S HN 0.594 nan 8.310 nan 0.000 0.470 993 L N -2.216 119.037 121.223 0.051 0.000 4.496 993 L HA -0.220 4.118 4.340 -0.002 0.000 0.419 993 L C 0.817 177.794 176.870 0.178 0.000 1.139 993 L CA 0.584 55.520 54.840 0.161 0.000 0.975 993 L CB -2.175 39.994 42.059 0.183 0.000 2.099 993 L HN 0.694 nan 8.230 nan 0.000 0.818 994 S N -0.782 114.977 115.700 0.099 0.000 2.568 994 S HA 0.058 4.526 4.470 -0.002 0.000 0.282 994 S C 1.372 176.038 174.600 0.109 0.000 1.338 994 S CA 0.668 58.924 58.200 0.093 0.000 1.045 994 S CB 1.065 64.290 63.200 0.041 0.000 0.873 994 S HN 0.464 nan 8.310 nan 0.000 0.516 995 H N 2.907 121.994 119.070 0.028 0.000 2.426 995 H HA -0.087 4.468 4.556 -0.003 0.000 0.298 995 H C 1.984 177.295 175.328 -0.027 0.000 1.107 995 H CA 2.429 58.492 56.048 0.025 0.000 1.298 995 H CB -0.190 29.561 29.762 -0.018 0.000 1.377 995 H HN 0.626 nan 8.280 nan 0.000 0.519 996 T N -0.505 114.067 114.554 0.030 0.000 3.113 996 T HA 0.166 4.515 4.350 -0.002 0.000 0.256 996 T C 1.044 175.577 174.700 -0.278 0.000 1.131 996 T CA 0.388 62.437 62.100 -0.085 0.000 1.074 996 T CB -0.662 68.201 68.868 -0.008 0.000 0.944 996 T HN 0.521 nan 8.240 nan 0.000 0.516 997 G N -0.640 108.026 108.800 -0.223 0.000 2.510 997 G HA2 0.406 4.365 3.960 -0.002 0.000 0.280 997 G HA3 0.406 4.365 3.960 -0.002 0.000 0.280 997 G C -0.464 174.179 174.900 -0.428 0.000 1.386 997 G CA -0.473 44.478 45.100 -0.248 0.000 1.047 997 G HN 0.443 nan 8.290 nan 0.000 0.527 998 Y N -0.807 119.587 120.300 0.157 0.000 2.706 998 Y HA 0.281 4.830 4.550 -0.003 0.000 0.255 998 Y C 1.200 177.393 175.900 0.488 0.000 1.163 998 Y CA -0.519 57.755 58.100 0.291 0.000 1.174 998 Y CB 0.201 38.791 38.460 0.217 0.000 1.200 998 Y HN 0.176 nan 8.280 nan 0.000 0.544 999 T N 1.974 116.854 114.554 0.544 0.000 2.867 999 T HA -0.060 4.288 4.350 -0.002 0.000 0.297 999 T C 0.803 175.882 174.700 0.632 0.000 0.989 999 T CA 0.563 63.042 62.100 0.633 0.000 1.159 999 T CB -0.108 69.106 68.868 0.578 0.000 0.928 999 T HN 0.528 nan 8.240 nan 0.000 0.538 1000 N N 1.806 120.821 118.700 0.525 0.000 2.708 1000 N HA -0.187 4.552 4.740 -0.002 0.000 0.251 1000 N C -0.715 175.020 175.510 0.375 0.000 1.123 1000 N CA 1.213 54.473 53.050 0.350 0.000 0.739 1000 N CB -0.811 37.821 38.487 0.240 0.000 1.113 1000 N HN 0.666 nan 8.380 nan 0.000 0.561 1001 K N -0.454 120.230 120.400 0.474 0.000 2.207 1001 K HA 0.266 4.585 4.320 -0.002 0.000 0.255 1001 K C -0.513 176.421 176.600 0.557 0.000 0.941 1001 K CA -0.685 55.915 56.287 0.522 0.000 0.825 1001 K CB 0.777 33.619 32.500 0.570 0.000 1.119 1001 K HN 0.092 nan 8.250 nan 0.000 0.430 1002 W N 3.951 125.549 121.300 0.496 0.000 2.322 1002 W HA 0.082 4.740 4.660 -0.003 0.000 0.328 1002 W C 0.134 177.120 176.519 0.778 0.000 1.395 1002 W CA -0.036 57.607 57.345 0.497 0.000 1.267 1002 W CB 0.017 29.693 29.460 0.359 0.000 1.259 1002 W HN 0.424 nan 8.180 nan 0.000 0.560 1003 F N 2.398 122.785 119.950 0.728 0.000 2.603 1003 F HA 0.647 5.173 4.527 -0.003 0.000 0.317 1003 F C -1.518 174.393 175.800 0.185 0.000 1.066 1003 F CA -2.479 55.775 58.000 0.423 0.000 0.941 1003 F CB 0.882 39.903 39.000 0.035 0.000 1.291 1003 F HN 0.115 nan 8.300 nan 0.000 0.472 1004 F N 3.246 122.993 119.950 -0.338 0.000 2.391 1004 F HA 0.694 5.219 4.527 -0.003 0.000 0.359 1004 F C -1.098 174.301 175.800 -0.669 0.000 1.122 1004 F CA -1.385 56.010 58.000 -1.009 0.000 1.120 1004 F CB 1.043 39.129 39.000 -1.523 0.000 1.142 1004 F HN 0.407 nan 8.300 nan 0.000 0.483 1005 V N 5.188 124.355 119.914 -1.244 0.000 2.472 1005 V HA 0.576 4.694 4.120 -0.002 0.000 0.290 1005 V C -0.279 174.938 176.094 -1.462 0.000 1.037 1005 V CA -0.433 61.156 62.300 -1.186 0.000 0.908 1005 V CB 1.828 32.922 31.823 -1.215 0.000 0.985 1005 V HN 0.847 nan 8.190 nan 0.000 0.454 1006 T N 5.527 119.468 114.554 -1.022 0.000 2.921 1006 T HA 0.581 4.930 4.350 -0.002 0.000 0.297 1006 T C -0.867 173.500 174.700 -0.556 0.000 1.013 1006 T CA -0.349 61.251 62.100 -0.833 0.000 0.990 1006 T CB 1.367 69.752 68.868 -0.805 0.000 1.023 1006 T HN 0.283 nan 8.240 nan 0.000 0.447 1007 I N 3.834 124.034 120.570 -0.617 0.000 2.378 1007 I HA 0.477 4.645 4.170 -0.002 0.000 0.291 1007 I C 0.680 176.557 176.117 -0.401 0.000 0.992 1007 I CA -0.672 60.257 61.300 -0.618 0.000 1.154 1007 I CB 1.520 38.800 38.000 -1.200 0.000 1.315 1007 I HN 0.792 nan 8.210 nan 0.000 0.448 1008 T N 3.022 117.443 114.554 -0.221 0.000 2.856 1008 T HA 0.563 4.912 4.350 -0.002 0.000 0.283 1008 T C -0.426 174.220 174.700 -0.091 0.000 1.008 1008 T CA -0.907 61.106 62.100 -0.145 0.000 0.997 1008 T CB 2.045 70.866 68.868 -0.079 0.000 0.992 1008 T HN 0.462 nan 8.240 nan 0.000 0.454 1009 N N 3.221 121.879 118.700 -0.069 0.000 2.442 1009 N HA 0.263 5.002 4.740 -0.002 0.000 0.274 1009 N C -1.343 174.159 175.510 -0.014 0.000 1.002 1009 N CA -0.596 52.440 53.050 -0.023 0.000 0.910 1009 N CB 1.817 40.298 38.487 -0.009 0.000 1.244 1009 N HN 0.676 nan 8.380 nan 0.000 0.492 1010 N N 3.200 121.905 118.700 0.009 0.000 2.485 1010 N HA 0.171 4.910 4.740 -0.002 0.000 0.243 1010 N C 1.334 176.841 175.510 -0.005 0.000 0.987 1010 N CA -0.380 52.674 53.050 0.006 0.000 0.940 1010 N CB 1.082 39.590 38.487 0.036 0.000 1.122 1010 N HN 0.588 nan 8.380 nan 0.000 0.509 1011 I N 0.875 121.437 120.570 -0.014 0.000 2.756 1011 I HA -0.005 4.163 4.170 -0.002 0.000 0.262 1011 I C 0.729 176.833 176.117 -0.022 0.000 1.225 1011 I CA 1.015 62.308 61.300 -0.013 0.000 1.472 1011 I CB 0.038 38.031 38.000 -0.012 0.000 1.094 1011 I HN 0.358 nan 8.210 nan 0.000 0.454 1012 M N 1.585 121.172 119.600 -0.022 0.000 2.869 1012 M HA 0.427 4.905 4.480 -0.002 0.000 0.338 1012 M C 0.472 176.746 176.300 -0.043 0.000 1.227 1012 M CA -0.115 55.168 55.300 -0.029 0.000 0.946 1012 M CB 0.854 33.447 32.600 -0.012 0.000 1.299 1012 M HN 0.522 nan 8.290 nan 0.000 0.518 1013 G N -0.413 108.340 108.800 -0.077 0.000 3.078 1013 G HA2 0.278 4.236 3.960 -0.002 0.000 0.131 1013 G HA3 0.278 4.236 3.960 -0.002 0.000 0.131 1013 G C -1.755 172.977 174.900 -0.279 0.000 1.219 1013 G CA -0.372 44.657 45.100 -0.119 0.000 1.319 1013 G HN 0.171 nan 8.290 nan 0.000 0.653 1014 Y N 0.175 120.466 120.300 -0.014 0.000 2.457 1014 Y HA 0.740 5.289 4.550 -0.002 0.000 0.333 1014 Y C 0.513 176.400 175.900 -0.021 0.000 1.119 1014 Y CA -0.623 57.465 58.100 -0.019 0.000 1.143 1014 Y CB 2.203 40.642 38.460 -0.034 0.000 1.230 1014 Y HN 0.447 nan 8.280 nan 0.000 0.469 1015 M N 3.209 122.886 119.600 0.128 0.000 2.268 1015 M HA 0.465 4.944 4.480 -0.002 0.000 0.344 1015 M C -1.656 174.660 176.300 0.027 0.000 1.106 1015 M CA -0.330 55.008 55.300 0.062 0.000 1.010 1015 M CB 0.730 33.378 32.600 0.080 0.000 1.649 1015 M HN 0.627 nan 8.290 nan 0.000 0.443 1016 K N 4.140 124.506 120.400 -0.057 0.000 2.371 1016 K HA 0.561 4.880 4.320 -0.002 0.000 0.251 1016 K C -1.727 174.727 176.600 -0.244 0.000 0.934 1016 K CA -0.908 55.279 56.287 -0.167 0.000 0.798 1016 K CB 2.643 35.023 32.500 -0.200 0.000 1.204 1016 K HN 0.602 nan 8.250 nan 0.000 0.427 1017 L N 3.065 124.092 121.223 -0.326 0.000 2.313 1017 L HA 0.463 4.801 4.340 -0.002 0.000 0.283 1017 L C -1.743 174.852 176.870 -0.459 0.000 1.013 1017 L CA -0.215 54.433 54.840 -0.321 0.000 0.816 1017 L CB 0.510 42.447 42.059 -0.204 0.000 1.236 1017 L HN 0.464 nan 8.230 nan 0.000 0.419 1018 Y N 5.345 125.394 120.300 -0.419 0.000 2.429 1018 Y HA 0.660 5.208 4.550 -0.004 0.000 0.342 1018 Y C -0.226 175.327 175.900 -0.579 0.000 1.004 1018 Y CA -0.933 56.895 58.100 -0.453 0.000 1.075 1018 Y CB 1.894 40.090 38.460 -0.440 0.000 1.214 1018 Y HN 0.313 nan 8.280 nan 0.000 0.455 1019 I N 3.327 123.621 120.570 -0.458 0.000 2.418 1019 I HA 0.198 4.366 4.170 -0.002 0.000 0.287 1019 I C -0.377 175.437 176.117 -0.504 0.000 1.008 1019 I CA -0.994 59.948 61.300 -0.597 0.000 1.104 1019 I CB 1.364 38.750 38.000 -1.023 0.000 1.264 1019 I HN 0.750 nan 8.210 nan 0.000 0.438 1020 N N 4.935 123.327 118.700 -0.514 0.000 2.721 1020 N HA -0.209 4.529 4.740 -0.002 0.000 0.249 1020 N C 1.115 176.123 175.510 -0.837 0.000 1.072 1020 N CA 1.333 53.905 53.050 -0.797 0.000 0.710 1020 N CB -1.085 37.085 38.487 -0.528 0.000 0.993 1020 N HN 1.136 nan 8.380 nan 0.000 0.547 1021 G N -1.263 107.231 108.800 -0.509 0.000 2.184 1021 G HA2 -0.329 3.629 3.960 -0.002 0.000 0.264 1021 G HA3 -0.329 3.629 3.960 -0.002 0.000 0.264 1021 G C -0.263 174.564 174.900 -0.122 0.000 0.975 1021 G CA 0.628 45.539 45.100 -0.314 0.000 0.642 1021 G HN 0.576 nan 8.290 nan 0.000 0.536 1022 E N -0.188 119.928 120.200 -0.140 0.000 2.151 1022 E HA 0.511 4.859 4.350 -0.002 0.000 0.275 1022 E C -0.147 176.366 176.600 -0.146 0.000 0.936 1022 E CA -1.076 55.265 56.400 -0.099 0.000 0.777 1022 E CB 2.028 31.636 29.700 -0.154 0.000 1.108 1022 E HN 0.182 nan 8.360 nan 0.000 0.401 1023 L N 3.998 125.101 121.223 -0.201 0.000 2.462 1023 L HA -0.006 4.333 4.340 -0.002 0.000 0.272 1023 L C 0.608 177.252 176.870 -0.377 0.000 1.166 1023 L CA 0.704 55.207 54.840 -0.561 0.000 0.880 1023 L CB 0.282 42.011 42.059 -0.549 0.000 1.142 1023 L HN 0.440 nan 8.230 nan 0.000 0.473 1024 K N 3.002 123.163 120.400 -0.398 0.000 2.306 1024 K HA 0.290 4.608 4.320 -0.002 0.000 0.200 1024 K C -0.167 176.332 176.600 -0.169 0.000 1.083 1024 K CA 0.539 56.684 56.287 -0.237 0.000 0.959 1024 K CB 0.425 32.780 32.500 -0.242 0.000 0.994 1024 K HN 0.630 nan 8.250 nan 0.000 0.492 1025 Q N -0.380 119.296 119.800 -0.207 0.000 2.418 1025 Q HA 0.354 4.692 4.340 -0.002 0.000 0.282 1025 Q C -1.264 174.644 176.000 -0.153 0.000 1.044 1025 Q CA -0.447 55.281 55.803 -0.125 0.000 0.813 1025 Q CB 2.543 31.259 28.738 -0.036 0.000 1.428 1025 Q HN -0.028 nan 8.270 nan 0.000 0.402 1026 S N 1.046 116.695 115.700 -0.085 0.000 2.548 1026 S HA 0.584 5.053 4.470 -0.002 0.000 0.276 1026 S C -1.563 173.092 174.600 0.092 0.000 1.129 1026 S CA -0.394 57.785 58.200 -0.034 0.000 0.931 1026 S CB 1.252 64.375 63.200 -0.127 0.000 1.068 1026 S HN 0.416 nan 8.310 nan 0.000 0.480 1027 Q N 2.557 122.462 119.800 0.175 0.000 2.331 1027 Q HA 0.328 4.667 4.340 -0.002 0.000 0.272 1027 Q C -1.126 174.957 176.000 0.138 0.000 1.062 1027 Q CA -0.675 55.230 55.803 0.170 0.000 0.806 1027 Q CB 2.221 31.020 28.738 0.102 0.000 1.312 1027 Q HN 0.786 nan 8.270 nan 0.000 0.431 1028 K N 2.561 122.943 120.400 -0.030 0.000 2.448 1028 K HA 0.116 4.435 4.320 -0.002 0.000 0.278 1028 K C 0.886 177.374 176.600 -0.186 0.000 1.009 1028 K CA 0.298 56.338 56.287 -0.412 0.000 0.995 1028 K CB 0.278 32.512 32.500 -0.443 0.000 0.917 1028 K HN 0.700 nan 8.250 nan 0.000 0.481 1029 I N 0.352 120.810 120.570 -0.186 0.000 4.327 1029 I HA 0.138 4.307 4.170 -0.002 0.000 0.331 1029 I C 1.393 177.462 176.117 -0.079 0.000 1.348 1029 I CA -0.415 60.841 61.300 -0.073 0.000 1.152 1029 I CB 0.347 38.348 38.000 0.001 0.000 1.151 1029 I HN 0.633 nan 8.210 nan 0.000 0.410 1030 E N 3.175 123.292 120.200 -0.138 0.000 2.209 1030 E HA -0.255 4.094 4.350 -0.002 0.000 0.196 1030 E C 1.016 177.575 176.600 -0.069 0.000 0.993 1030 E CA 1.865 58.206 56.400 -0.099 0.000 0.819 1030 E CB -0.028 29.594 29.700 -0.130 0.000 0.745 1030 E HN 0.776 nan 8.360 nan 0.000 0.477 1031 D N -0.209 120.143 120.400 -0.080 0.000 2.340 1031 D HA -0.042 4.596 4.640 -0.002 0.000 0.220 1031 D C 1.079 177.360 176.300 -0.032 0.000 1.039 1031 D CA -0.088 53.879 54.000 -0.055 0.000 0.866 1031 D CB -0.280 40.481 40.800 -0.064 0.000 0.913 1031 D HN 0.174 nan 8.370 nan 0.000 0.523 1032 L N 0.908 122.118 121.223 -0.021 0.000 2.464 1032 L HA 0.110 4.449 4.340 -0.002 0.000 0.264 1032 L C 1.083 177.958 176.870 0.009 0.000 1.199 1032 L CA -0.162 54.679 54.840 0.002 0.000 0.818 1032 L CB 0.511 42.585 42.059 0.024 0.000 1.102 1032 L HN -0.127 nan 8.230 nan 0.000 0.473 1033 D N 0.206 120.617 120.400 0.018 0.000 2.446 1033 D HA 0.051 4.690 4.640 -0.002 0.000 0.288 1033 D C -0.150 176.171 176.300 0.035 0.000 1.195 1033 D CA -0.424 53.590 54.000 0.023 0.000 1.095 1033 D CB 0.330 41.142 40.800 0.021 0.000 1.153 1033 D HN 0.471 nan 8.370 nan 0.000 0.568 1034 E N 0.417 120.640 120.200 0.038 0.000 2.415 1034 E HA 0.135 4.484 4.350 -0.002 0.000 0.263 1034 E C -1.185 175.449 176.600 0.057 0.000 0.995 1034 E CA -0.019 56.411 56.400 0.049 0.000 0.915 1034 E CB 0.537 30.267 29.700 0.049 0.000 0.951 1034 E HN -0.036 nan 8.360 nan 0.000 0.449 1035 V N 6.435 126.391 119.914 0.070 0.000 2.378 1035 V HA 0.202 4.321 4.120 -0.002 0.000 0.288 1035 V C 0.003 176.152 176.094 0.091 0.000 1.016 1035 V CA -0.967 61.381 62.300 0.081 0.000 0.840 1035 V CB 1.499 33.383 31.823 0.100 0.000 0.994 1035 V HN 0.626 nan 8.190 nan 0.000 0.431 1036 K N 2.908 123.354 120.400 0.077 0.000 2.319 1036 K HA 0.306 4.624 4.320 -0.002 0.000 0.265 1036 K C -0.203 176.460 176.600 0.105 0.000 1.000 1036 K CA -0.626 55.712 56.287 0.085 0.000 0.943 1036 K CB 1.124 33.656 32.500 0.054 0.000 0.950 1036 K HN 0.416 nan 8.250 nan 0.000 0.485 1037 L N 2.809 124.112 121.223 0.133 0.000 2.490 1037 L HA -0.053 4.286 4.340 -0.002 0.000 0.274 1037 L C 0.048 176.984 176.870 0.110 0.000 1.201 1037 L CA 0.601 55.532 54.840 0.152 0.000 0.869 1037 L CB 0.090 42.271 42.059 0.204 0.000 1.123 1037 L HN 0.446 nan 8.230 nan 0.000 0.484 1038 D N 3.536 124.011 120.400 0.124 0.000 2.443 1038 D HA 0.053 4.691 4.640 -0.002 0.000 0.239 1038 D C 0.499 176.836 176.300 0.063 0.000 1.136 1038 D CA 0.211 54.256 54.000 0.075 0.000 0.879 1038 D CB 1.115 42.003 40.800 0.147 0.000 1.195 1038 D HN 0.435 nan 8.370 nan 0.000 0.443 1039 K N -0.420 119.988 120.400 0.013 0.000 2.403 1039 K HA 0.171 4.489 4.320 -0.002 0.000 0.199 1039 K C 0.034 176.635 176.600 0.002 0.000 1.199 1039 K CA 0.461 56.760 56.287 0.021 0.000 0.924 1039 K CB 0.775 33.281 32.500 0.011 0.000 1.137 1039 K HN 0.237 nan 8.250 nan 0.000 0.510 1040 T N 0.633 115.158 114.554 -0.048 0.000 2.921 1040 T HA 0.574 4.922 4.350 -0.002 0.000 0.297 1040 T C -0.935 173.678 174.700 -0.145 0.000 1.013 1040 T CA -0.556 61.504 62.100 -0.066 0.000 0.990 1040 T CB 1.612 70.437 68.868 -0.073 0.000 1.023 1040 T HN -0.087 nan 8.240 nan 0.000 0.447 1041 I N 2.662 123.159 120.570 -0.122 0.000 2.406 1041 I HA 0.512 4.681 4.170 -0.002 0.000 0.290 1041 I C -0.661 175.316 176.117 -0.234 0.000 0.999 1041 I CA -1.049 60.099 61.300 -0.253 0.000 1.124 1041 I CB 1.928 39.843 38.000 -0.142 0.000 1.289 1041 I HN 0.256 nan 8.210 nan 0.000 0.441 1042 V N 6.731 126.444 119.914 -0.335 0.000 2.384 1042 V HA 0.383 4.502 4.120 -0.002 0.000 0.287 1042 V C -0.500 175.413 176.094 -0.302 0.000 1.020 1042 V CA -0.530 61.644 62.300 -0.211 0.000 0.850 1042 V CB 1.183 32.909 31.823 -0.163 0.000 0.987 1042 V HN 0.358 nan 8.190 nan 0.000 0.436 1043 F N 3.055 122.919 119.950 -0.145 0.000 2.410 1043 F HA 0.813 5.339 4.527 -0.003 0.000 0.349 1043 F C 0.876 176.641 175.800 -0.059 0.000 1.117 1043 F CA 0.084 58.028 58.000 -0.092 0.000 1.104 1043 F CB 1.740 40.681 39.000 -0.099 0.000 1.122 1043 F HN 0.726 nan 8.300 nan 0.000 0.483 1044 G N 3.208 112.078 108.800 0.117 0.000 2.329 1044 G HA2 0.208 4.166 3.960 -0.002 0.000 0.308 1044 G HA3 0.208 4.166 3.960 -0.002 0.000 0.308 1044 G C -1.663 173.261 174.900 0.040 0.000 1.587 1044 G CA -1.211 43.933 45.100 0.073 0.000 0.978 1044 G HN 0.538 nan 8.290 nan 0.000 0.685 1045 I N 1.357 121.952 120.570 0.043 0.000 2.342 1045 I HA 0.276 4.445 4.170 -0.002 0.000 0.291 1045 I C 0.149 176.297 176.117 0.052 0.000 1.010 1045 I CA -0.642 60.697 61.300 0.066 0.000 1.308 1045 I CB 1.596 39.642 38.000 0.075 0.000 1.400 1045 I HN 0.457 nan 8.210 nan 0.000 0.488 1046 D N 3.707 124.136 120.400 0.049 0.000 2.366 1046 D HA 0.032 4.671 4.640 -0.002 0.000 0.205 1046 D C 0.407 176.730 176.300 0.038 0.000 1.022 1046 D CA 0.476 54.491 54.000 0.025 0.000 0.868 1046 D CB 0.318 41.116 40.800 -0.004 0.000 0.953 1046 D HN 0.495 nan 8.370 nan 0.000 0.514 1047 E N 0.933 121.177 120.200 0.074 0.000 2.418 1047 E HA 0.063 4.412 4.350 -0.002 0.000 0.261 1047 E C 0.178 176.844 176.600 0.110 0.000 1.070 1047 E CA -0.168 56.276 56.400 0.073 0.000 0.931 1047 E CB 0.333 30.064 29.700 0.052 0.000 0.954 1047 E HN -0.084 nan 8.360 nan 0.000 0.439 1048 N N 1.629 120.377 118.700 0.079 0.000 2.468 1048 N HA 0.120 4.858 4.740 -0.002 0.000 0.265 1048 N C -0.895 174.693 175.510 0.130 0.000 1.199 1048 N CA -0.028 53.068 53.050 0.076 0.000 0.928 1048 N CB 0.146 38.659 38.487 0.043 0.000 1.059 1048 N HN 0.480 nan 8.380 nan 0.000 0.467 1049 I N -0.918 119.705 120.570 0.088 0.000 2.797 1049 I HA 0.630 4.799 4.170 -0.002 0.000 0.307 1049 I C -0.579 175.554 176.117 0.026 0.000 1.033 1049 I CA -0.977 60.362 61.300 0.066 0.000 1.071 1049 I CB 1.813 39.810 38.000 -0.006 0.000 1.255 1049 I HN 0.215 nan 8.210 nan 0.000 0.445 1050 D N 2.489 122.896 120.400 0.012 0.000 2.437 1050 D HA 0.285 4.924 4.640 -0.002 0.000 0.259 1050 D C -0.421 175.865 176.300 -0.023 0.000 1.118 1050 D CA -0.412 53.588 54.000 -0.000 0.000 1.017 1050 D CB 0.888 41.692 40.800 0.006 0.000 1.120 1050 D HN 0.576 nan 8.370 nan 0.000 0.541 1051 E N 0.546 120.734 120.200 -0.019 0.000 2.437 1051 E HA -0.031 4.317 4.350 -0.002 0.000 0.263 1051 E C 0.213 176.791 176.600 -0.036 0.000 1.030 1051 E CA 0.182 56.567 56.400 -0.026 0.000 0.934 1051 E CB 0.259 29.950 29.700 -0.015 0.000 0.943 1051 E HN 0.306 nan 8.360 nan 0.000 0.444 1052 N N 0.824 119.497 118.700 -0.044 0.000 2.936 1052 N HA -0.207 4.531 4.740 -0.002 0.000 0.236 1052 N C -0.847 174.620 175.510 -0.072 0.000 0.930 1052 N CA 1.070 54.093 53.050 -0.045 0.000 0.966 1052 N CB -0.807 37.664 38.487 -0.027 0.000 1.090 1052 N HN 0.541 nan 8.380 nan 0.000 0.592 1053 Q N 0.546 120.290 119.800 -0.094 0.000 2.406 1053 Q HA 0.448 4.786 4.340 -0.002 0.000 0.242 1053 Q C 0.583 176.472 176.000 -0.184 0.000 1.036 1053 Q CA 0.194 55.916 55.803 -0.136 0.000 0.904 1053 Q CB 0.475 29.121 28.738 -0.152 0.000 1.244 1053 Q HN 0.448 nan 8.270 nan 0.000 0.478 1054 M N 0.879 120.352 119.600 -0.211 0.000 2.622 1054 M HA 0.753 5.231 4.480 -0.002 0.000 0.276 1054 M C -1.764 174.315 176.300 -0.367 0.000 1.265 1054 M CA -1.333 53.760 55.300 -0.345 0.000 0.850 1054 M CB 1.867 34.172 32.600 -0.491 0.000 1.720 1054 M HN 0.328 nan 8.290 nan 0.000 0.465 1055 L N -1.854 119.077 121.223 -0.486 0.000 2.479 1055 L HA 0.847 5.185 4.340 -0.002 0.000 0.255 1055 L C -2.129 174.476 176.870 -0.442 0.000 1.026 1055 L CA -0.447 54.216 54.840 -0.296 0.000 0.842 1055 L CB 1.880 43.880 42.059 -0.097 0.000 1.444 1055 L HN 0.866 nan 8.230 nan 0.000 0.409 1056 W N 1.298 122.457 121.300 -0.234 0.000 2.844 1056 W HA 0.787 5.445 4.660 -0.003 0.000 0.340 1056 W C -1.038 175.345 176.519 -0.226 0.000 1.093 1056 W CA -0.669 56.534 57.345 -0.236 0.000 1.212 1056 W CB 2.305 31.575 29.460 -0.316 0.000 1.422 1056 W HN 0.417 nan 8.180 nan 0.000 0.515 1057 I N 2.256 122.762 120.570 -0.107 0.000 2.689 1057 I HA 0.491 4.660 4.170 -0.002 0.000 0.299 1057 I C -0.138 175.970 176.117 -0.014 0.000 1.059 1057 I CA -1.043 60.204 61.300 -0.089 0.000 1.055 1057 I CB 2.577 40.279 38.000 -0.498 0.000 1.243 1057 I HN 0.348 nan 8.210 nan 0.000 0.425 1058 R N 2.640 123.354 120.500 0.357 0.000 2.808 1058 R HA 0.511 4.850 4.340 -0.002 0.000 0.272 1058 R C -1.384 175.136 176.300 0.368 0.000 0.995 1058 R CA -0.602 55.625 56.100 0.213 0.000 0.917 1058 R CB 1.554 31.798 30.300 -0.093 0.000 1.217 1058 R HN 0.525 nan 8.270 nan 0.000 0.471 1059 D N 0.528 121.106 120.400 0.298 0.000 2.699 1059 D HA -0.221 4.418 4.640 -0.002 0.000 0.239 1059 D C -1.081 175.495 176.300 0.461 0.000 1.136 1059 D CA 1.038 55.239 54.000 0.334 0.000 0.668 1059 D CB -1.105 39.879 40.800 0.308 0.000 1.060 1059 D HN 0.460 nan 8.370 nan 0.000 0.429 1060 F N 1.271 121.441 119.950 0.367 0.000 2.506 1060 F HA 0.245 4.771 4.527 -0.002 0.000 0.371 1060 F C 0.557 176.530 175.800 0.288 0.000 1.078 1060 F CA 0.064 58.309 58.000 0.409 0.000 1.195 1060 F CB 0.390 39.644 39.000 0.423 0.000 1.099 1060 F HN -0.135 nan 8.300 nan 0.000 0.548 1061 N N 6.844 125.367 118.700 -0.295 0.000 2.229 1061 N HA 0.510 5.248 4.740 -0.002 0.000 0.298 1061 N C -1.287 173.946 175.510 -0.462 0.000 1.114 1061 N CA -0.492 52.378 53.050 -0.300 0.000 0.776 1061 N CB 2.480 40.803 38.487 -0.273 0.000 1.501 1061 N HN 0.480 nan 8.380 nan 0.000 0.474 1062 I N 1.530 121.876 120.570 -0.372 0.000 2.509 1062 I HA 0.460 4.629 4.170 -0.002 0.000 0.293 1062 I C -0.969 174.925 176.117 -0.373 0.000 1.020 1062 I CA -0.657 60.504 61.300 -0.231 0.000 1.088 1062 I CB 1.233 39.218 38.000 -0.025 0.000 1.267 1062 I HN 0.260 nan 8.210 nan 0.000 0.430 1063 F N 2.198 122.090 119.950 -0.097 0.000 2.522 1063 F HA 0.261 4.787 4.527 -0.001 0.000 0.324 1063 F C 1.131 176.874 175.800 -0.095 0.000 1.077 1063 F CA -0.769 57.182 58.000 -0.083 0.000 0.944 1063 F CB 1.948 40.896 39.000 -0.086 0.000 1.175 1063 F HN 0.428 nan 8.300 nan 0.000 0.468 1064 S N 0.599 116.346 115.700 0.078 0.000 2.763 1064 S HA 0.229 4.698 4.470 -0.002 0.000 0.237 1064 S C -0.240 174.359 174.600 -0.003 0.000 0.966 1064 S CA -0.441 57.754 58.200 -0.010 0.000 1.017 1064 S CB -1.021 62.153 63.200 -0.042 0.000 0.780 1064 S HN 0.720 nan 8.310 nan 0.000 0.476 1065 K N -0.203 120.213 120.400 0.026 0.000 2.522 1065 K HA 0.409 4.728 4.320 -0.002 0.000 0.275 1065 K C -1.340 175.230 176.600 -0.050 0.000 1.006 1065 K CA -0.959 55.317 56.287 -0.018 0.000 0.890 1065 K CB 0.973 33.466 32.500 -0.012 0.000 1.475 1065 K HN 0.046 nan 8.250 nan 0.000 0.441 1066 E N 2.616 122.777 120.200 -0.064 0.000 2.104 1066 E HA 0.113 4.462 4.350 -0.002 0.000 0.278 1066 E C -0.671 175.851 176.600 -0.130 0.000 1.127 1066 E CA -0.450 55.898 56.400 -0.087 0.000 0.897 1066 E CB 0.407 30.077 29.700 -0.051 0.000 1.043 1066 E HN 0.411 nan 8.360 nan 0.000 0.410 1067 L N 3.980 125.072 121.223 -0.217 0.000 2.453 1067 L HA 0.040 4.379 4.340 -0.002 0.000 0.272 1067 L C 0.933 177.654 176.870 -0.248 0.000 1.182 1067 L CA -0.234 54.432 54.840 -0.290 0.000 0.858 1067 L CB 0.749 42.524 42.059 -0.473 0.000 1.120 1067 L HN 0.597 nan 8.230 nan 0.000 0.474 1068 S N 1.615 117.193 115.700 -0.202 0.000 2.600 1068 S HA 0.018 4.487 4.470 -0.002 0.000 0.265 1068 S C 0.980 175.433 174.600 -0.245 0.000 1.325 1068 S CA -0.633 57.469 58.200 -0.163 0.000 1.002 1068 S CB 0.961 64.094 63.200 -0.112 0.000 0.921 1068 S HN 0.682 nan 8.310 nan 0.000 0.554 1069 N N 1.198 119.789 118.700 -0.182 0.000 2.149 1069 N HA -0.157 4.581 4.740 -0.002 0.000 0.188 1069 N C 1.434 176.832 175.510 -0.186 0.000 1.019 1069 N CA 1.799 54.716 53.050 -0.221 0.000 0.857 1069 N CB -0.630 37.842 38.487 -0.025 0.000 0.997 1069 N HN 0.766 nan 8.380 nan 0.000 0.426 1070 E N 0.365 120.490 120.200 -0.124 0.000 2.051 1070 E HA -0.121 4.227 4.350 -0.002 0.000 0.192 1070 E C 1.484 178.015 176.600 -0.116 0.000 0.991 1070 E CA 1.263 57.606 56.400 -0.095 0.000 0.799 1070 E CB -0.186 29.473 29.700 -0.068 0.000 0.748 1070 E HN 0.363 nan 8.360 nan 0.000 0.449 1071 D N -0.009 120.299 120.400 -0.152 0.000 2.144 1071 D HA -0.090 4.549 4.640 -0.002 0.000 0.200 1071 D C 1.910 178.088 176.300 -0.203 0.000 0.978 1071 D CA 0.701 54.599 54.000 -0.169 0.000 0.833 1071 D CB -0.127 40.554 40.800 -0.198 0.000 0.961 1071 D HN 0.188 nan 8.370 nan 0.000 0.470 1072 I N 0.993 121.396 120.570 -0.279 0.000 2.226 1072 I HA -0.248 3.920 4.170 -0.002 0.000 0.245 1072 I C 1.997 178.061 176.117 -0.089 0.000 1.100 1072 I CA 0.785 61.924 61.300 -0.267 0.000 1.374 1072 I CB -0.223 37.455 38.000 -0.537 0.000 1.057 1072 I HN -0.017 nan 8.210 nan 0.000 0.413 1073 N N 0.969 119.613 118.700 -0.093 0.000 2.244 1073 N HA -0.084 4.654 4.740 -0.002 0.000 0.183 1073 N C 1.929 177.458 175.510 0.032 0.000 1.016 1073 N CA 1.235 54.294 53.050 0.016 0.000 0.866 1073 N CB -0.087 38.400 38.487 -0.000 0.000 0.980 1073 N HN 0.378 nan 8.380 nan 0.000 0.430 1074 I N 0.482 121.036 120.570 -0.027 0.000 2.179 1074 I HA -0.218 3.951 4.170 -0.002 0.000 0.242 1074 I C 2.086 178.180 176.117 -0.038 0.000 1.088 1074 I CA 0.786 62.067 61.300 -0.032 0.000 1.357 1074 I CB -0.229 37.746 38.000 -0.042 0.000 1.051 1074 I HN -0.102 nan 8.210 nan 0.000 0.409 1075 V N 0.332 120.220 119.914 -0.043 0.000 2.295 1075 V HA -0.326 3.792 4.120 -0.002 0.000 0.246 1075 V C 2.312 178.300 176.094 -0.177 0.000 1.049 1075 V CA 2.008 64.283 62.300 -0.043 0.000 1.024 1075 V CB -0.908 30.936 31.823 0.036 0.000 0.648 1075 V HN 0.401 nan 8.190 nan 0.000 0.447 1076 Y N 1.545 121.582 120.300 -0.439 0.000 2.081 1076 Y HA -0.304 4.245 4.550 -0.003 0.000 0.280 1076 Y C 2.544 178.318 175.900 -0.210 0.000 1.163 1076 Y CA 2.389 60.100 58.100 -0.649 0.000 1.135 1076 Y CB -0.412 37.804 38.460 -0.407 0.000 0.970 1076 Y HN 0.286 nan 8.280 nan 0.000 0.498 1077 E N -0.429 119.638 120.200 -0.223 0.000 2.110 1077 E HA -0.078 4.271 4.350 -0.002 0.000 0.193 1077 E C 2.417 178.900 176.600 -0.195 0.000 0.988 1077 E CA 1.393 57.639 56.400 -0.255 0.000 0.804 1077 E CB -0.808 28.829 29.700 -0.104 0.000 0.745 1077 E HN 0.604 nan 8.360 nan 0.000 0.458 1078 G N -0.206 108.513 108.800 -0.135 0.000 2.408 1078 G HA2 -0.259 3.699 3.960 -0.002 0.000 0.217 1078 G HA3 -0.259 3.699 3.960 -0.002 0.000 0.217 1078 G C 1.364 176.187 174.900 -0.128 0.000 1.150 1078 G CA 0.523 45.562 45.100 -0.101 0.000 0.776 1078 G HN 0.249 nan 8.290 nan 0.000 0.542 1079 Q N -0.688 119.030 119.800 -0.136 0.000 2.424 1079 Q HA 0.303 4.642 4.340 -0.002 0.000 0.204 1079 Q C 2.197 177.943 176.000 -0.423 0.000 0.933 1079 Q CA -0.154 55.540 55.803 -0.181 0.000 0.929 1079 Q CB 0.217 28.976 28.738 0.034 0.000 1.037 1079 Q HN 0.516 nan 8.270 nan 0.000 0.511 1080 I N 0.714 121.084 120.570 -0.333 0.000 2.676 1080 I HA -0.120 4.049 4.170 -0.002 0.000 0.259 1080 I C -0.343 175.583 176.117 -0.319 0.000 1.194 1080 I CA 0.548 61.586 61.300 -0.436 0.000 1.473 1080 I CB 0.358 38.178 38.000 -0.299 0.000 1.096 1080 I HN 0.238 nan 8.210 nan 0.000 0.443 1081 L N 1.286 122.368 121.223 -0.234 0.000 3.425 1081 L HA -0.229 4.109 4.340 -0.002 0.000 0.686 1081 L C 1.532 178.339 176.870 -0.106 0.000 1.147 1081 L CA 0.354 55.107 54.840 -0.144 0.000 1.187 1081 L CB -1.353 40.639 42.059 -0.112 0.000 1.670 1081 L HN 0.477 nan 8.230 nan 0.000 0.874 1082 R N -0.268 120.174 120.500 -0.097 0.000 2.159 1082 R HA -0.154 4.184 4.340 -0.002 0.000 0.237 1082 R C 1.152 177.424 176.300 -0.048 0.000 1.131 1082 R CA 1.952 58.009 56.100 -0.071 0.000 0.982 1082 R CB -0.170 30.091 30.300 -0.065 0.000 0.868 1082 R HN 0.592 nan 8.270 nan 0.000 0.453 1083 N N 0.536 119.206 118.700 -0.049 0.000 2.280 1083 N HA 0.103 4.842 4.740 -0.002 0.000 0.192 1083 N C -0.755 174.725 175.510 -0.050 0.000 1.109 1083 N CA 0.142 53.169 53.050 -0.038 0.000 0.855 1083 N CB 0.976 39.445 38.487 -0.030 0.000 0.974 1083 N HN -0.017 nan 8.380 nan 0.000 0.482 1084 V N 3.080 122.956 119.914 -0.065 0.000 2.364 1084 V HA 0.224 4.343 4.120 -0.002 0.000 0.272 1084 V C 0.496 176.530 176.094 -0.099 0.000 1.036 1084 V CA -0.773 61.473 62.300 -0.090 0.000 0.880 1084 V CB 1.250 33.015 31.823 -0.096 0.000 0.991 1084 V HN 0.021 nan 8.190 nan 0.000 0.460 1085 I N 5.432 125.919 120.570 -0.139 0.000 2.813 1085 I HA 0.207 4.375 4.170 -0.002 0.000 0.287 1085 I C 0.486 176.496 176.117 -0.178 0.000 1.196 1085 I CA 0.069 61.272 61.300 -0.162 0.000 1.421 1085 I CB 0.310 38.150 38.000 -0.268 0.000 1.365 1085 I HN 0.491 nan 8.210 nan 0.000 0.591 1086 K N 3.882 124.213 120.400 -0.115 0.000 2.207 1086 K HA 0.314 4.633 4.320 -0.002 0.000 0.255 1086 K C -0.411 176.130 176.600 -0.097 0.000 0.941 1086 K CA -0.773 55.450 56.287 -0.106 0.000 0.825 1086 K CB 1.594 34.078 32.500 -0.027 0.000 1.119 1086 K HN 0.567 nan 8.250 nan 0.000 0.430 1087 D N -0.241 120.109 120.400 -0.083 0.000 2.414 1087 D HA -0.077 4.561 4.640 -0.002 0.000 0.251 1087 D C 1.148 177.499 176.300 0.084 0.000 1.252 1087 D CA -0.195 53.833 54.000 0.045 0.000 0.999 1087 D CB 0.130 41.060 40.800 0.216 0.000 1.093 1087 D HN 0.509 nan 8.370 nan 0.000 0.515 1088 Y N -0.486 119.754 120.300 -0.101 0.000 2.315 1088 Y HA -0.101 4.447 4.550 -0.002 0.000 0.288 1088 Y C 1.357 177.109 175.900 -0.247 0.000 1.154 1088 Y CA 1.172 59.109 58.100 -0.272 0.000 1.229 1088 Y CB -0.212 37.874 38.460 -0.623 0.000 0.980 1088 Y HN 0.461 nan 8.280 nan 0.000 0.540 1089 W N -0.583 120.742 121.300 0.043 0.000 3.256 1089 W HA 0.331 4.990 4.660 -0.003 0.000 0.269 1089 W C 1.818 178.277 176.519 -0.101 0.000 1.310 1089 W CA 0.593 57.916 57.345 -0.038 0.000 1.673 1089 W CB -0.055 29.422 29.460 0.029 0.000 1.115 1089 W HN 0.173 nan 8.180 nan 0.000 0.686 1090 G N 0.364 108.922 108.800 -0.403 0.000 2.157 1090 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.248 1090 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.248 1090 G C 0.210 175.017 174.900 -0.154 0.000 0.979 1090 G CA -0.319 44.125 45.100 -1.092 0.000 0.650 1090 G HN 0.184 nan 8.290 nan 0.000 0.529 1091 N N 1.343 120.113 118.700 0.117 0.000 2.467 1091 N HA 0.416 5.155 4.740 -0.002 0.000 0.262 1091 N C -2.690 172.730 175.510 -0.151 0.000 1.234 1091 N CA -1.235 51.839 53.050 0.040 0.000 0.952 1091 N CB 0.425 38.978 38.487 0.111 0.000 1.158 1091 N HN 0.067 nan 8.380 nan 0.000 0.463 1092 P HA 0.032 nan 4.420 nan 0.000 0.268 1092 P C 0.027 177.228 177.300 -0.165 0.000 1.204 1092 P CA -0.282 62.651 63.100 -0.277 0.000 0.768 1092 P CB 0.445 31.922 31.700 -0.371 0.000 0.842 1093 L N 4.721 125.817 121.223 -0.211 0.000 2.426 1093 L HA 0.174 4.512 4.340 -0.002 0.000 0.271 1093 L C 0.329 177.070 176.870 -0.214 0.000 1.169 1093 L CA 0.941 55.626 54.840 -0.258 0.000 0.836 1093 L CB -0.065 41.666 42.059 -0.546 0.000 1.112 1093 L HN 0.291 nan 8.230 nan 0.000 0.465 1094 K N 3.816 124.189 120.400 -0.046 0.000 2.426 1094 K HA 0.422 4.740 4.320 -0.002 0.000 0.251 1094 K C -0.977 175.589 176.600 -0.058 0.000 0.941 1094 K CA -0.782 55.470 56.287 -0.058 0.000 0.808 1094 K CB 1.579 34.139 32.500 0.099 0.000 1.265 1094 K HN 0.180 nan 8.250 nan 0.000 0.432 1095 F N 1.785 121.762 119.950 0.046 0.000 2.485 1095 F HA -0.039 4.487 4.527 -0.002 0.000 0.327 1095 F C 0.952 176.741 175.800 -0.017 0.000 1.203 1095 F CA 0.627 58.626 58.000 -0.002 0.000 1.295 1095 F CB 0.240 39.197 39.000 -0.072 0.000 1.191 1095 F HN 0.685 nan 8.300 nan 0.000 0.588 1096 D N -0.346 120.145 120.400 0.151 0.000 2.945 1096 D HA -0.179 4.460 4.640 -0.002 0.000 0.225 1096 D C -0.404 175.950 176.300 0.091 0.000 1.158 1096 D CA 0.943 54.936 54.000 -0.011 0.000 0.805 1096 D CB -1.827 38.742 40.800 -0.385 0.000 1.098 1096 D HN 0.442 nan 8.370 nan 0.000 0.426 1097 T N 0.547 115.146 114.554 0.076 0.000 2.861 1097 T HA 0.322 4.671 4.350 -0.002 0.000 0.287 1097 T C 0.090 174.608 174.700 -0.304 0.000 1.003 1097 T CA -0.692 61.361 62.100 -0.077 0.000 0.977 1097 T CB 2.429 71.222 68.868 -0.125 0.000 0.996 1097 T HN -0.063 nan 8.240 nan 0.000 0.448 1098 E N 1.808 121.815 120.200 -0.322 0.000 2.360 1098 E HA 0.279 4.628 4.350 -0.002 0.000 0.269 1098 E C -1.161 175.099 176.600 -0.568 0.000 1.022 1098 E CA 0.008 56.216 56.400 -0.321 0.000 0.887 1098 E CB 0.612 30.167 29.700 -0.241 0.000 0.990 1098 E HN 0.499 nan 8.360 nan 0.000 0.426 1099 Y N 1.068 121.344 120.300 -0.040 0.000 2.477 1099 Y HA 0.239 4.788 4.550 -0.002 0.000 0.347 1099 Y C -0.879 174.962 175.900 -0.098 0.000 0.981 1099 Y CA -0.939 57.188 58.100 0.045 0.000 1.033 1099 Y CB 1.101 39.699 38.460 0.231 0.000 1.245 1099 Y HN 0.416 nan 8.280 nan 0.000 0.455 1100 Y N 3.492 123.973 120.300 0.301 0.000 2.425 1100 Y HA 0.411 4.959 4.550 -0.003 0.000 0.347 1100 Y C 0.039 176.031 175.900 0.153 0.000 0.976 1100 Y CA -0.349 57.877 58.100 0.209 0.000 1.190 1100 Y CB 0.331 38.914 38.460 0.205 0.000 1.136 1100 Y HN 0.351 nan 8.280 nan 0.000 0.517 1101 I N 6.324 127.011 120.570 0.195 0.000 2.315 1101 I HA 0.372 4.540 4.170 -0.002 0.000 0.291 1101 I C -0.095 176.088 176.117 0.111 0.000 1.006 1101 I CA -0.605 60.694 61.300 -0.002 0.000 1.265 1101 I CB 0.633 38.535 38.000 -0.163 0.000 1.387 1101 I HN 0.517 nan 8.210 nan 0.000 0.475 1102 I N 3.309 123.924 120.570 0.075 0.000 2.785 1102 I HA 0.521 4.690 4.170 -0.002 0.000 0.302 1102 I C -0.672 175.495 176.117 0.083 0.000 1.069 1102 I CA -0.811 60.559 61.300 0.116 0.000 1.045 1102 I CB 2.047 40.052 38.000 0.009 0.000 1.236 1102 I HN 0.471 nan 8.210 nan 0.000 0.429 1103 N N 2.681 121.350 118.700 -0.052 0.000 2.479 1103 N HA 0.043 4.782 4.740 -0.002 0.000 0.285 1103 N C 0.194 175.505 175.510 -0.332 0.000 1.075 1103 N CA -0.005 52.767 53.050 -0.464 0.000 0.967 1103 N CB 1.769 39.916 38.487 -0.566 0.000 1.137 1103 N HN 0.894 nan 8.380 nan 0.000 0.472 1104 D N 2.170 122.357 120.400 -0.356 0.000 2.221 1104 D HA -0.094 4.544 4.640 -0.002 0.000 0.204 1104 D C 0.786 176.872 176.300 -0.358 0.000 0.982 1104 D CA 1.281 55.141 54.000 -0.233 0.000 0.857 1104 D CB 0.263 41.013 40.800 -0.083 0.000 0.934 1104 D HN 0.475 nan 8.370 nan 0.000 0.475 1105 N N -1.060 117.327 118.700 -0.523 0.000 2.463 1105 N HA -0.034 4.704 4.740 -0.002 0.000 0.181 1105 N C -0.525 174.348 175.510 -1.062 0.000 1.078 1105 N CA 0.476 53.044 53.050 -0.803 0.000 0.902 1105 N CB 0.249 38.123 38.487 -1.022 0.000 0.970 1105 N HN 0.284 nan 8.380 nan 0.000 0.451 1106 Y N -0.072 120.050 120.300 -0.297 0.000 2.490 1106 Y HA 0.287 4.836 4.550 -0.002 0.000 0.346 1106 Y C 1.173 176.870 175.900 -0.338 0.000 1.023 1106 Y CA -0.798 57.107 58.100 -0.325 0.000 1.142 1106 Y CB -0.330 37.930 38.460 -0.333 0.000 1.126 1106 Y HN -0.070 nan 8.280 nan 0.000 0.647 1107 I N -2.002 118.370 120.570 -0.331 0.000 2.756 1107 I HA -0.085 4.083 4.170 -0.002 0.000 0.262 1107 I C 0.900 176.698 176.117 -0.531 0.000 1.225 1107 I CA 1.319 62.351 61.300 -0.447 0.000 1.472 1107 I CB 0.178 37.714 38.000 -0.773 0.000 1.094 1107 I HN 0.258 nan 8.210 nan 0.000 0.454 1108 D N 1.802 121.897 120.400 -0.507 0.000 2.738 1108 D HA 0.185 4.823 4.640 -0.002 0.000 0.246 1108 D C 0.077 176.115 176.300 -0.437 0.000 1.270 1108 D CA -0.370 53.159 54.000 -0.785 0.000 0.833 1108 D CB 0.082 40.590 40.800 -0.486 0.000 1.040 1108 D HN 0.431 nan 8.370 nan 0.000 0.487 1109 R N 0.433 120.823 120.500 -0.184 0.000 2.686 1109 R HA 0.449 4.788 4.340 -0.002 0.000 0.286 1109 R C -0.939 175.560 176.300 0.332 0.000 0.969 1109 R CA -1.012 55.142 56.100 0.091 0.000 0.898 1109 R CB 1.666 31.896 30.300 -0.117 0.000 1.183 1109 R HN 0.160 nan 8.270 nan 0.000 0.456 1110 Y N -0.382 120.107 120.300 0.314 0.000 2.487 1110 Y HA 0.628 5.176 4.550 -0.003 0.000 0.337 1110 Y C -0.188 175.809 175.900 0.161 0.000 1.076 1110 Y CA -1.420 56.834 58.100 0.257 0.000 1.115 1110 Y CB 0.822 39.383 38.460 0.168 0.000 1.235 1110 Y HN 0.364 nan 8.280 nan 0.000 0.468 1111 I N 3.222 123.970 120.570 0.296 0.000 2.496 1111 I HA 0.555 4.724 4.170 -0.002 0.000 0.285 1111 I C 0.065 176.301 176.117 0.199 0.000 1.080 1111 I CA -0.198 61.196 61.300 0.157 0.000 1.404 1111 I CB 0.694 38.767 38.000 0.121 0.000 1.403 1111 I HN 0.866 nan 8.210 nan 0.000 0.539 1112 A N 8.450 131.311 122.820 0.069 0.000 2.574 1112 A HA 0.771 5.090 4.320 -0.002 0.000 0.297 1112 A C -2.865 174.689 177.584 -0.050 0.000 1.062 1112 A CA -1.328 50.756 52.037 0.078 0.000 0.686 1112 A CB 1.888 20.987 19.000 0.166 0.000 1.285 1112 A HN 0.427 nan 8.150 nan 0.000 0.403 1113 P HA 0.415 nan 4.420 nan 0.000 0.286 1113 P C -1.023 176.215 177.300 -0.104 0.000 1.269 1113 P CA 0.138 63.092 63.100 -0.244 0.000 0.787 1113 P CB 1.131 32.493 31.700 -0.562 0.000 0.920 1114 E N 1.268 121.505 120.200 0.061 0.000 2.255 1114 E HA 0.256 4.605 4.350 -0.002 0.000 0.256 1114 E C -0.304 176.472 176.600 0.294 0.000 0.887 1114 E CA -0.693 55.818 56.400 0.185 0.000 0.782 1114 E CB 0.895 30.799 29.700 0.341 0.000 1.214 1114 E HN 0.280 nan 8.360 nan 0.000 0.417 1115 S N 2.906 118.682 115.700 0.126 0.000 3.614 1115 S HA -0.252 4.217 4.470 -0.002 0.000 0.360 1115 S C 0.524 175.213 174.600 0.149 0.000 1.023 1115 S CA 1.028 59.300 58.200 0.119 0.000 1.114 1115 S CB -1.273 61.982 63.200 0.092 0.000 0.907 1115 S HN 0.910 nan 8.310 nan 0.000 0.470 1116 N N -1.296 117.428 118.700 0.040 0.000 2.725 1116 N HA -0.189 4.550 4.740 -0.002 0.000 0.249 1116 N C -0.696 174.818 175.510 0.006 0.000 1.103 1116 N CA 1.195 54.230 53.050 -0.024 0.000 0.707 1116 N CB -1.138 37.335 38.487 -0.024 0.000 1.043 1116 N HN 0.551 nan 8.380 nan 0.000 0.553 1117 V N 1.224 121.164 119.914 0.042 0.000 2.540 1117 V HA 0.431 4.549 4.120 -0.002 0.000 0.302 1117 V C 0.662 176.706 176.094 -0.084 0.000 1.035 1117 V CA -0.895 61.365 62.300 -0.066 0.000 0.873 1117 V CB 1.882 33.561 31.823 -0.240 0.000 0.992 1117 V HN 0.129 nan 8.190 nan 0.000 0.428 1118 L N 5.648 126.805 121.223 -0.110 0.000 2.380 1118 L HA 0.598 4.936 4.340 -0.002 0.000 0.273 1118 L C 0.010 176.821 176.870 -0.098 0.000 1.138 1118 L CA -0.054 54.731 54.840 -0.092 0.000 0.832 1118 L CB 1.166 43.174 42.059 -0.085 0.000 1.124 1118 L HN 0.638 nan 8.230 nan 0.000 0.454 1119 V N 1.370 121.250 119.914 -0.057 0.000 3.167 1119 V HA 0.568 4.687 4.120 -0.002 0.000 0.310 1119 V C -0.713 175.357 176.094 -0.040 0.000 1.207 1119 V CA -1.086 61.183 62.300 -0.051 0.000 1.059 1119 V CB 2.265 34.078 31.823 -0.018 0.000 1.079 1119 V HN 0.527 nan 8.190 nan 0.000 0.446 1120 L N 1.658 122.855 121.223 -0.043 0.000 2.287 1120 L HA 0.697 5.036 4.340 -0.002 0.000 0.287 1120 L C -0.704 176.065 176.870 -0.169 0.000 1.022 1120 L CA -0.737 54.043 54.840 -0.101 0.000 0.814 1120 L CB 1.625 43.615 42.059 -0.115 0.000 1.217 1120 L HN 0.505 nan 8.230 nan 0.000 0.420 1121 V N 2.983 122.677 119.914 -0.366 0.000 2.435 1121 V HA 0.220 4.338 4.120 -0.002 0.000 0.290 1121 V C 0.178 176.096 176.094 -0.294 0.000 1.030 1121 V CA -0.587 61.463 62.300 -0.417 0.000 0.881 1121 V CB 1.695 33.050 31.823 -0.780 0.000 0.983 1121 V HN 0.769 nan 8.190 nan 0.000 0.445 1122 Q N 2.677 122.429 119.800 -0.080 0.000 2.337 1122 Q HA 0.140 4.478 4.340 -0.002 0.000 0.270 1122 Q C -1.064 175.097 176.000 0.269 0.000 1.002 1122 Q CA -0.323 55.515 55.803 0.058 0.000 0.888 1122 Q CB 0.388 29.140 28.738 0.023 0.000 1.222 1122 Q HN 0.639 nan 8.270 nan 0.000 0.400 1123 Y N 5.091 125.470 120.300 0.131 0.000 2.717 1123 Y HA -0.018 4.531 4.550 -0.002 0.000 0.330 1123 Y C -1.433 174.539 175.900 0.120 0.000 1.217 1123 Y CA -1.696 56.517 58.100 0.189 0.000 1.506 1123 Y CB 0.233 38.754 38.460 0.101 0.000 1.268 1123 Y HN 0.691 nan 8.280 nan 0.000 0.561 1124 P HA -0.077 nan 4.420 nan 0.000 0.223 1124 P C -0.301 177.081 177.300 0.136 0.000 1.151 1124 P CA 1.399 64.589 63.100 0.151 0.000 0.787 1124 P CB 0.448 32.211 31.700 0.105 0.000 0.788 1125 D N -1.470 119.033 120.400 0.170 0.000 2.375 1125 D HA 0.109 4.748 4.640 -0.002 0.000 0.241 1125 D C 0.670 177.106 176.300 0.227 0.000 1.361 1125 D CA -0.588 53.502 54.000 0.151 0.000 0.995 1125 D CB 0.753 41.616 40.800 0.105 0.000 1.312 1125 D HN -0.306 nan 8.370 nan 0.000 0.576 1126 R N 1.760 122.360 120.500 0.167 0.000 2.200 1126 R HA -0.129 4.210 4.340 -0.002 0.000 0.234 1126 R C 1.546 177.928 176.300 0.135 0.000 1.127 1126 R CA 1.957 58.121 56.100 0.107 0.000 0.989 1126 R CB 0.187 30.491 30.300 0.007 0.000 0.869 1126 R HN 0.385 nan 8.270 nan 0.000 0.459 1127 S N -0.555 115.238 115.700 0.155 0.000 2.527 1127 S HA 0.072 4.540 4.470 -0.002 0.000 0.222 1127 S C 0.270 175.007 174.600 0.229 0.000 0.985 1127 S CA 0.109 58.419 58.200 0.183 0.000 0.921 1127 S CB 0.293 63.581 63.200 0.146 0.000 0.772 1127 S HN -0.008 nan 8.310 nan 0.000 0.529 1128 K N 1.990 122.512 120.400 0.203 0.000 2.266 1128 K HA 0.384 4.702 4.320 -0.002 0.000 0.274 1128 K C 0.576 177.249 176.600 0.121 0.000 1.090 1128 K CA -0.218 56.158 56.287 0.148 0.000 0.925 1128 K CB 1.011 33.554 32.500 0.073 0.000 1.225 1128 K HN 0.290 nan 8.250 nan 0.000 0.458 1129 L N 1.521 122.753 121.223 0.015 0.000 2.141 1129 L HA -0.107 4.231 4.340 -0.002 0.000 0.209 1129 L C 0.375 177.092 176.870 -0.255 0.000 1.094 1129 L CA 1.164 55.936 54.840 -0.113 0.000 0.763 1129 L CB -0.146 41.615 42.059 -0.497 0.000 0.908 1129 L HN 0.482 nan 8.230 nan 0.000 0.437 1130 Y N 0.379 120.533 120.300 -0.243 0.000 2.667 1130 Y HA 0.196 4.745 4.550 -0.003 0.000 0.340 1130 Y C 0.160 175.513 175.900 -0.913 0.000 1.303 1130 Y CA -0.611 57.020 58.100 -0.783 0.000 1.769 1130 Y CB -0.719 37.561 38.460 -0.301 0.000 1.804 1130 Y HN -0.155 nan 8.280 nan 0.000 0.451 1131 T N 0.499 114.511 114.554 -0.903 0.000 2.841 1131 T HA 0.741 5.090 4.350 -0.002 0.000 0.285 1131 T C 0.440 174.758 174.700 -0.637 0.000 0.991 1131 T CA -0.179 61.451 62.100 -0.782 0.000 0.966 1131 T CB 1.705 69.854 68.868 -1.198 0.000 0.962 1131 T HN 0.777 nan 8.240 nan 0.000 0.438 1132 G N 3.264 111.785 108.800 -0.465 0.000 2.265 1132 G HA2 -0.030 3.929 3.960 -0.002 0.000 0.246 1132 G HA3 -0.030 3.929 3.960 -0.002 0.000 0.246 1132 G C -1.837 173.132 174.900 0.114 0.000 1.299 1132 G CA -0.962 43.931 45.100 -0.345 0.000 1.117 1132 G HN 0.610 nan 8.290 nan 0.000 0.485 1133 N N 2.313 121.139 118.700 0.210 0.000 2.564 1133 N HA 0.482 5.221 4.740 -0.002 0.000 0.248 1133 N C -2.936 172.594 175.510 0.034 0.000 0.986 1133 N CA -0.876 52.271 53.050 0.162 0.000 0.921 1133 N CB 1.933 40.569 38.487 0.249 0.000 1.136 1133 N HN 0.179 nan 8.380 nan 0.000 0.509 1134 P HA 0.133 nan 4.420 nan 0.000 0.265 1134 P C -0.117 177.131 177.300 -0.087 0.000 1.193 1134 P CA 0.316 63.202 63.100 -0.356 0.000 0.765 1134 P CB 0.860 32.340 31.700 -0.367 0.000 0.823 1135 I N 2.143 122.695 120.570 -0.031 0.000 2.404 1135 I HA 0.263 4.431 4.170 -0.002 0.000 0.293 1135 I C 0.301 176.492 176.117 0.123 0.000 0.992 1135 I CA -0.280 61.070 61.300 0.083 0.000 1.149 1135 I CB 1.841 39.904 38.000 0.105 0.000 1.315 1135 I HN 0.174 nan 8.210 nan 0.000 0.446 1136 T N 6.605 121.236 114.554 0.128 0.000 2.859 1136 T HA 0.597 4.946 4.350 -0.002 0.000 0.281 1136 T C -0.135 174.633 174.700 0.114 0.000 1.005 1136 T CA -0.387 61.785 62.100 0.121 0.000 1.025 1136 T CB 1.241 70.163 68.868 0.089 0.000 0.977 1136 T HN 0.247 nan 8.240 nan 0.000 0.458 1137 I N 3.357 124.016 120.570 0.150 0.000 2.359 1137 I HA 0.401 4.570 4.170 -0.002 0.000 0.294 1137 I C 0.083 176.323 176.117 0.205 0.000 0.987 1137 I CA -1.015 60.370 61.300 0.143 0.000 1.225 1137 I CB 0.991 39.060 38.000 0.115 0.000 1.366 1137 I HN 0.206 nan 8.210 nan 0.000 0.466 1138 K N 3.999 124.440 120.400 0.069 0.000 2.207 1138 K HA 0.382 4.701 4.320 -0.002 0.000 0.255 1138 K C -0.494 176.031 176.600 -0.125 0.000 0.941 1138 K CA -0.683 55.565 56.287 -0.065 0.000 0.825 1138 K CB 2.075 34.404 32.500 -0.285 0.000 1.119 1138 K HN 0.501 nan 8.250 nan 0.000 0.430 1139 S N 1.552 116.884 115.700 -0.612 0.000 2.474 1139 S HA 0.121 4.590 4.470 -0.002 0.000 0.276 1139 S C 1.217 175.597 174.600 -0.367 0.000 1.227 1139 S CA -0.640 57.054 58.200 -0.844 0.000 1.050 1139 S CB 0.336 62.662 63.200 -1.455 0.000 0.939 1139 S HN 0.328 nan 8.310 nan 0.000 0.490 1140 V N 5.086 124.881 119.914 -0.198 0.000 2.548 1140 V HA -0.079 4.039 4.120 -0.002 0.000 0.249 1140 V C 2.334 178.350 176.094 -0.131 0.000 1.055 1140 V CA 1.996 64.221 62.300 -0.125 0.000 1.065 1140 V CB -0.648 31.137 31.823 -0.063 0.000 0.681 1140 V HN 1.000 nan 8.190 nan 0.000 0.462 1141 S N -1.838 113.776 115.700 -0.143 0.000 2.631 1141 S HA -0.004 4.464 4.470 -0.002 0.000 0.217 1141 S C 0.491 175.006 174.600 -0.141 0.000 0.958 1141 S CA 0.280 58.411 58.200 -0.114 0.000 0.920 1141 S CB -0.208 62.946 63.200 -0.077 0.000 0.776 1141 S HN 0.557 nan 8.310 nan 0.000 0.517 1142 D N 0.917 121.195 120.400 -0.204 0.000 2.873 1142 D HA -0.112 4.527 4.640 -0.002 0.000 0.228 1142 D C -0.409 175.775 176.300 -0.193 0.000 1.122 1142 D CA 0.742 54.624 54.000 -0.197 0.000 0.758 1142 D CB -1.584 39.139 40.800 -0.128 0.000 1.094 1142 D HN 0.592 nan 8.370 nan 0.000 0.434 1143 K N 0.496 120.740 120.400 -0.260 0.000 2.397 1143 K HA 0.079 4.398 4.320 -0.002 0.000 0.265 1143 K C 0.849 177.351 176.600 -0.163 0.000 0.982 1143 K CA -0.391 55.787 56.287 -0.182 0.000 0.931 1143 K CB 0.395 32.801 32.500 -0.157 0.000 0.943 1143 K HN 0.081 nan 8.250 nan 0.000 0.501 1144 N N 2.138 120.799 118.700 -0.065 0.000 2.329 1144 N HA 0.014 4.753 4.740 -0.002 0.000 0.237 1144 N C -2.503 172.979 175.510 -0.046 0.000 1.258 1144 N CA -1.022 52.005 53.050 -0.039 0.000 0.866 1144 N CB -0.289 38.206 38.487 0.013 0.000 1.102 1144 N HN 0.259 nan 8.380 nan 0.000 0.440 1145 P HA -0.053 nan 4.420 nan 0.000 0.262 1145 P C -0.357 176.916 177.300 -0.046 0.000 1.182 1145 P CA 0.525 63.496 63.100 -0.216 0.000 0.761 1145 P CB -0.020 31.558 31.700 -0.204 0.000 0.795 1146 Y N -0.690 119.673 120.300 0.104 0.000 4.753 1146 Y HA -0.282 4.267 4.550 -0.003 0.000 0.232 1146 Y C 1.066 177.029 175.900 0.105 0.000 1.029 1146 Y CA 0.923 59.082 58.100 0.099 0.000 1.996 1146 Y CB -2.896 35.591 38.460 0.044 0.000 1.602 1146 Y HN 0.377 nan 8.280 nan 0.000 0.621 1147 S N 0.638 116.494 115.700 0.261 0.000 2.600 1147 S HA 0.517 4.986 4.470 -0.002 0.000 0.265 1147 S C 0.479 175.172 174.600 0.155 0.000 1.325 1147 S CA -0.959 57.367 58.200 0.210 0.000 1.002 1147 S CB 1.120 64.440 63.200 0.200 0.000 0.921 1147 S HN 0.340 nan 8.310 nan 0.000 0.554 1148 R N 0.484 121.006 120.500 0.037 0.000 2.590 1148 R HA 0.299 4.638 4.340 -0.002 0.000 0.274 1148 R C -0.338 175.858 176.300 -0.174 0.000 1.061 1148 R CA -0.004 56.038 56.100 -0.096 0.000 1.081 1148 R CB 0.103 30.344 30.300 -0.099 0.000 0.984 1148 R HN 0.607 nan 8.270 nan 0.000 0.448 1149 I N 4.609 124.942 120.570 -0.395 0.000 2.342 1149 I HA 0.196 4.365 4.170 -0.002 0.000 0.291 1149 I C 0.066 176.043 176.117 -0.233 0.000 1.010 1149 I CA -0.228 60.780 61.300 -0.488 0.000 1.308 1149 I CB 0.674 38.219 38.000 -0.759 0.000 1.400 1149 I HN 0.287 nan 8.210 nan 0.000 0.488 1150 L N 5.222 126.380 121.223 -0.108 0.000 2.319 1150 L HA 0.464 4.803 4.340 -0.002 0.000 0.267 1150 L C 0.063 176.914 176.870 -0.032 0.000 1.011 1150 L CA -1.202 53.602 54.840 -0.060 0.000 0.818 1150 L CB 1.045 43.093 42.059 -0.018 0.000 1.316 1150 L HN 0.481 nan 8.230 nan 0.000 0.432 1151 N N 1.410 120.098 118.700 -0.021 0.000 2.294 1151 N HA 0.092 4.830 4.740 -0.002 0.000 0.263 1151 N C 0.954 176.477 175.510 0.021 0.000 1.281 1151 N CA 1.459 54.514 53.050 0.009 0.000 0.846 1151 N CB 0.697 39.188 38.487 0.007 0.000 1.061 1151 N HN 0.908 nan 8.380 nan 0.000 0.478 1152 G N 1.440 110.264 108.800 0.041 0.000 2.175 1152 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.244 1152 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.244 1152 G C -0.361 174.573 174.900 0.056 0.000 0.982 1152 G CA -0.111 45.014 45.100 0.042 0.000 0.641 1152 G HN 0.588 nan 8.290 nan 0.000 0.527 1153 D N 1.121 121.565 120.400 0.073 0.000 2.304 1153 D HA 0.378 5.017 4.640 -0.002 0.000 0.250 1153 D C 0.405 176.778 176.300 0.121 0.000 1.107 1153 D CA -0.279 53.788 54.000 0.112 0.000 0.885 1153 D CB 0.500 41.412 40.800 0.187 0.000 1.192 1153 D HN 0.125 nan 8.370 nan 0.000 0.436 1154 N N 1.408 120.169 118.700 0.102 0.000 2.458 1154 N HA 0.317 5.055 4.740 -0.002 0.000 0.270 1154 N C -0.162 175.424 175.510 0.126 0.000 1.102 1154 N CA -0.276 52.829 53.050 0.091 0.000 0.967 1154 N CB 0.677 39.187 38.487 0.038 0.000 1.078 1154 N HN 0.362 nan 8.380 nan 0.000 0.471 1155 I N -0.930 119.733 120.570 0.155 0.000 2.934 1155 I HA 0.655 4.823 4.170 -0.002 0.000 0.306 1155 I C -0.814 175.404 176.117 0.168 0.000 1.110 1155 I CA -0.791 60.627 61.300 0.197 0.000 1.019 1155 I CB 1.611 39.755 38.000 0.240 0.000 1.227 1155 I HN 0.302 nan 8.210 nan 0.000 0.434 1156 I N 4.029 124.670 120.570 0.118 0.000 2.569 1156 I HA 0.487 4.656 4.170 -0.002 0.000 0.296 1156 I C -1.083 175.069 176.117 0.059 0.000 1.028 1156 I CA -0.790 60.572 61.300 0.103 0.000 1.082 1156 I CB 2.143 40.146 38.000 0.006 0.000 1.264 1156 I HN 0.457 nan 8.210 nan 0.000 0.429 1157 L N 5.486 126.794 121.223 0.141 0.000 2.313 1157 L HA 0.486 4.825 4.340 -0.002 0.000 0.283 1157 L C -0.712 176.288 176.870 0.218 0.000 1.013 1157 L CA -0.533 54.369 54.840 0.104 0.000 0.816 1157 L CB 1.038 43.127 42.059 0.051 0.000 1.236 1157 L HN 0.530 nan 8.230 nan 0.000 0.419 1158 H N 3.950 123.082 119.070 0.103 0.000 2.481 1158 H HA 0.447 5.002 4.556 -0.002 0.000 0.333 1158 H C -0.596 174.795 175.328 0.105 0.000 1.066 1158 H CA -0.753 55.356 56.048 0.102 0.000 1.209 1158 H CB 2.557 32.368 29.762 0.081 0.000 1.445 1158 H HN 0.495 nan 8.280 nan 0.000 0.488 1159 M N 4.334 124.085 119.600 0.251 0.000 2.300 1159 M HA 0.250 4.729 4.480 -0.002 0.000 0.348 1159 M C -1.469 174.982 176.300 0.252 0.000 1.151 1159 M CA -1.219 54.205 55.300 0.207 0.000 1.046 1159 M CB 1.022 33.722 32.600 0.167 0.000 1.647 1159 M HN 0.428 nan 8.290 nan 0.000 0.451 1160 L N 6.483 127.823 121.223 0.194 0.000 2.261 1160 L HA 0.359 4.698 4.340 -0.002 0.000 0.289 1160 L C -1.904 175.131 176.870 0.276 0.000 1.059 1160 L CA 0.011 54.966 54.840 0.192 0.000 0.816 1160 L CB 0.448 42.563 42.059 0.093 0.000 1.191 1160 L HN 0.676 nan 8.230 nan 0.000 0.431 1161 Y N 5.632 126.061 120.300 0.215 0.000 2.326 1161 Y HA 0.379 4.928 4.550 -0.002 0.000 0.329 1161 Y C 0.298 176.309 175.900 0.185 0.000 0.973 1161 Y CA -1.100 57.111 58.100 0.184 0.000 1.162 1161 Y CB 0.710 39.252 38.460 0.135 0.000 1.147 1161 Y HN 0.750 nan 8.280 nan 0.000 0.456 1162 N N 4.236 122.716 118.700 -0.367 0.000 2.699 1162 N HA -0.250 4.488 4.740 -0.002 0.000 0.256 1162 N C 0.136 175.582 175.510 -0.106 0.000 0.993 1162 N CA 1.637 54.497 53.050 -0.316 0.000 0.759 1162 N CB -1.175 36.990 38.487 -0.537 0.000 0.906 1162 N HN 0.753 nan 8.380 nan 0.000 0.541 1163 S N -2.688 112.994 115.700 -0.031 0.000 3.228 1163 S HA -0.265 4.204 4.470 -0.002 0.000 0.282 1163 S C 0.296 174.897 174.600 0.001 0.000 1.286 1163 S CA 1.320 59.516 58.200 -0.008 0.000 1.066 1163 S CB -0.549 62.638 63.200 -0.022 0.000 1.277 1163 S HN 0.671 nan 8.310 nan 0.000 0.661 1164 R N 0.741 121.267 120.500 0.042 0.000 2.750 1164 R HA 0.587 4.926 4.340 -0.002 0.000 0.281 1164 R C -0.444 175.813 176.300 -0.072 0.000 0.972 1164 R CA -0.919 55.151 56.100 -0.050 0.000 0.912 1164 R CB 1.576 31.821 30.300 -0.092 0.000 1.187 1164 R HN 0.177 nan 8.270 nan 0.000 0.464 1165 K N 2.518 122.763 120.400 -0.257 0.000 2.183 1165 K HA 0.315 4.634 4.320 -0.002 0.000 0.274 1165 K C -1.418 174.916 176.600 -0.443 0.000 1.009 1165 K CA -0.311 55.857 56.287 -0.198 0.000 0.888 1165 K CB 0.724 33.126 32.500 -0.163 0.000 1.078 1165 K HN 0.464 nan 8.250 nan 0.000 0.459 1166 Y N 2.184 122.456 120.300 -0.046 0.000 2.545 1166 Y HA 0.317 4.865 4.550 -0.002 0.000 0.348 1166 Y C -0.031 175.834 175.900 -0.058 0.000 1.002 1166 Y CA -1.105 56.962 58.100 -0.055 0.000 1.039 1166 Y CB 1.984 40.447 38.460 0.006 0.000 1.271 1166 Y HN 0.497 nan 8.280 nan 0.000 0.467 1167 M N 3.526 123.197 119.600 0.117 0.000 2.188 1167 M HA 0.501 4.979 4.480 -0.002 0.000 0.357 1167 M C -1.289 175.119 176.300 0.180 0.000 1.204 1167 M CA -0.224 55.200 55.300 0.206 0.000 1.095 1167 M CB 0.432 33.144 32.600 0.187 0.000 1.604 1167 M HN 0.633 nan 8.290 nan 0.000 0.464 1168 I N 6.956 127.644 120.570 0.197 0.000 2.416 1168 I HA 0.236 4.404 4.170 -0.002 0.000 0.288 1168 I C -0.071 176.158 176.117 0.186 0.000 1.051 1168 I CA -0.285 61.096 61.300 0.135 0.000 1.375 1168 I CB 0.349 38.394 38.000 0.075 0.000 1.407 1168 I HN 0.682 nan 8.210 nan 0.000 0.516 1169 I N 3.595 124.230 120.570 0.109 0.000 2.934 1169 I HA 0.578 4.746 4.170 -0.002 0.000 0.306 1169 I C -0.346 175.817 176.117 0.076 0.000 1.110 1169 I CA -1.149 60.192 61.300 0.068 0.000 1.019 1169 I CB 1.905 39.870 38.000 -0.058 0.000 1.227 1169 I HN 0.493 nan 8.210 nan 0.000 0.434 1170 R N 1.925 122.445 120.500 0.033 0.000 2.539 1170 R HA 0.129 4.468 4.340 -0.002 0.000 0.275 1170 R C -0.479 175.815 176.300 -0.010 0.000 1.077 1170 R CA -0.365 55.753 56.100 0.031 0.000 1.097 1170 R CB 0.717 30.998 30.300 -0.031 0.000 1.018 1170 R HN 0.735 nan 8.270 nan 0.000 0.483 1171 D N 0.846 121.276 120.400 0.050 0.000 2.399 1171 D HA -0.054 4.584 4.640 -0.002 0.000 0.241 1171 D C 1.017 177.373 176.300 0.093 0.000 1.133 1171 D CA 0.297 54.345 54.000 0.079 0.000 0.890 1171 D CB 1.462 42.337 40.800 0.125 0.000 1.201 1171 D HN 0.634 nan 8.370 nan 0.000 0.432 1172 T N -0.474 114.138 114.554 0.097 0.000 2.942 1172 T HA -0.038 4.311 4.350 -0.002 0.000 0.265 1172 T C 0.394 175.233 174.700 0.231 0.000 1.062 1172 T CA 0.332 62.505 62.100 0.121 0.000 1.139 1172 T CB 0.110 69.039 68.868 0.101 0.000 0.883 1172 T HN 0.271 nan 8.240 nan 0.000 0.468 1173 D N 2.411 122.951 120.400 0.234 0.000 2.217 1173 D HA 0.393 5.032 4.640 -0.002 0.000 0.248 1173 D C 0.340 176.752 176.300 0.187 0.000 1.008 1173 D CA -0.286 53.840 54.000 0.210 0.000 0.914 1173 D CB 1.674 42.530 40.800 0.094 0.000 1.182 1173 D HN 0.430 nan 8.370 nan 0.000 0.451 1174 T N -1.459 113.073 114.554 -0.037 0.000 2.813 1174 T HA 0.378 4.726 4.350 -0.002 0.000 0.297 1174 T C 1.137 175.737 174.700 -0.167 0.000 1.036 1174 T CA -0.619 61.281 62.100 -0.334 0.000 1.044 1174 T CB 0.593 69.208 68.868 -0.421 0.000 0.993 1174 T HN 0.242 nan 8.240 nan 0.000 0.535 1187 C N 0.545 119.828 119.300 -0.029 0.000 2.652 1187 C HA 0.600 5.059 4.460 -0.002 0.000 0.412 1187 C C 1.057 175.917 174.990 -0.218 0.000 1.294 1187 C CA -0.506 58.406 59.018 -0.177 0.000 2.127 1187 C CB 0.385 28.005 27.740 -0.201 0.000 2.691 1187 C HN 0.170 nan 8.230 nan 0.000 0.615 1188 V N 2.773 122.450 119.914 -0.395 0.000 2.577 1188 V HA 0.398 4.517 4.120 -0.002 0.000 0.303 1188 V C -1.091 174.712 176.094 -0.484 0.000 1.042 1188 V CA -0.479 61.622 62.300 -0.332 0.000 0.872 1188 V CB 1.136 32.777 31.823 -0.304 0.000 0.998 1188 V HN 0.807 nan 8.190 nan 0.000 0.423 1189 Y N 2.541 122.788 120.300 -0.088 0.000 2.364 1189 Y HA 0.757 5.306 4.550 -0.003 0.000 0.340 1189 Y C 0.644 176.476 175.900 -0.113 0.000 0.975 1189 Y CA -0.549 57.510 58.100 -0.069 0.000 1.089 1189 Y CB 1.785 40.248 38.460 0.005 0.000 1.192 1189 Y HN 0.755 nan 8.280 nan 0.000 0.454 1190 A N 3.687 126.510 122.820 0.006 0.000 2.310 1190 A HA 0.659 4.978 4.320 -0.002 0.000 0.260 1190 A C -0.592 176.991 177.584 -0.001 0.000 1.112 1190 A CA -0.393 51.604 52.037 -0.065 0.000 0.804 1190 A CB 0.279 19.200 19.000 -0.133 0.000 1.081 1190 A HN 0.797 nan 8.150 nan 0.000 0.499 1191 L N -0.067 121.132 121.223 -0.041 0.000 2.330 1191 L HA 0.596 4.934 4.340 -0.002 0.000 0.271 1191 L C 0.044 176.888 176.870 -0.043 0.000 1.013 1191 L CA -0.565 54.263 54.840 -0.021 0.000 0.816 1191 L CB 1.765 43.794 42.059 -0.049 0.000 1.287 1191 L HN 0.789 nan 8.230 nan 0.000 0.435 1192 K N 1.919 122.303 120.400 -0.026 0.000 2.469 1192 K HA 0.701 5.020 4.320 -0.002 0.000 0.268 1192 K C -1.534 175.041 176.600 -0.042 0.000 1.027 1192 K CA -0.913 55.348 56.287 -0.043 0.000 0.893 1192 K CB 2.438 34.923 32.500 -0.025 0.000 1.460 1192 K HN 0.323 nan 8.250 nan 0.000 0.449 1193 L N 1.246 122.426 121.223 -0.073 0.000 2.334 1193 L HA 0.476 4.815 4.340 -0.002 0.000 0.273 1193 L C -0.608 176.271 176.870 0.015 0.000 1.013 1193 L CA -0.735 54.075 54.840 -0.050 0.000 0.816 1193 L CB 1.860 43.780 42.059 -0.233 0.000 1.278 1193 L HN 0.584 nan 8.230 nan 0.000 0.431 1194 Q N 0.215 120.072 119.800 0.095 0.000 2.305 1194 Q HA 0.262 4.601 4.340 -0.002 0.000 0.271 1194 Q C 0.063 176.150 176.000 0.145 0.000 1.046 1194 Q CA -0.481 55.366 55.803 0.073 0.000 0.798 1194 Q CB 2.142 30.858 28.738 -0.037 0.000 1.286 1194 Q HN 0.752 nan 8.270 nan 0.000 0.435 1195 S N 2.557 118.339 115.700 0.137 0.000 2.470 1195 S HA 0.068 4.537 4.470 -0.002 0.000 0.225 1195 S C 0.362 174.937 174.600 -0.041 0.000 1.006 1195 S CA 0.210 58.425 58.200 0.024 0.000 0.934 1195 S CB -0.006 63.201 63.200 0.013 0.000 0.778 1195 S HN 0.604 nan 8.310 nan 0.000 0.517 1196 N N 2.701 121.393 118.700 -0.014 0.000 2.402 1196 N HA 0.345 5.084 4.740 -0.002 0.000 0.259 1196 N C -0.801 174.755 175.510 0.076 0.000 1.167 1196 N CA 0.096 53.154 53.050 0.014 0.000 0.949 1196 N CB 0.291 38.781 38.487 0.004 0.000 1.212 1196 N HN 0.461 nan 8.380 nan 0.000 0.493 1197 L N 1.234 122.491 121.223 0.057 0.000 2.371 1197 L HA 0.695 5.034 4.340 -0.002 0.000 0.272 1197 L C 1.237 178.219 176.870 0.188 0.000 1.124 1197 L CA -0.427 54.470 54.840 0.096 0.000 0.816 1197 L CB 0.863 42.902 42.059 -0.035 0.000 1.129 1197 L HN 0.502 nan 8.230 nan 0.000 0.448 1198 G N 1.503 110.434 108.800 0.218 0.000 2.313 1198 G HA2 0.052 4.011 3.960 -0.002 0.000 0.296 1198 G HA3 0.052 4.011 3.960 -0.002 0.000 0.296 1198 G C -1.605 173.242 174.900 -0.089 0.000 1.356 1198 G CA -0.879 44.223 45.100 0.004 0.000 0.833 1198 G HN 0.413 nan 8.290 nan 0.000 0.552 1199 N N 0.675 119.207 118.700 -0.279 0.000 2.448 1199 N HA 0.405 5.144 4.740 -0.002 0.000 0.250 1199 N C -1.351 173.918 175.510 -0.401 0.000 1.136 1199 N CA 0.247 53.156 53.050 -0.234 0.000 0.953 1199 N CB 0.114 38.494 38.487 -0.178 0.000 1.251 1199 N HN 0.361 nan 8.380 nan 0.000 0.502 1200 Y N -1.007 119.243 120.300 -0.084 0.000 2.364 1200 Y HA 0.360 4.908 4.550 -0.003 0.000 0.340 1200 Y C 1.666 177.421 175.900 -0.242 0.000 0.975 1200 Y CA -0.968 57.049 58.100 -0.139 0.000 1.089 1200 Y CB 1.742 40.109 38.460 -0.155 0.000 1.192 1200 Y HN 0.460 nan 8.280 nan 0.000 0.454 1201 G N 2.320 111.050 108.800 -0.116 0.000 2.450 1201 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.220 1201 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.220 1201 G C 1.422 175.867 174.900 -0.760 0.000 1.130 1201 G CA 0.736 45.707 45.100 -0.214 0.000 0.760 1201 G HN 0.804 nan 8.290 nan 0.000 0.557 1202 I N 0.765 120.563 120.570 -1.286 0.000 2.916 1202 I HA 0.066 4.234 4.170 -0.002 0.000 0.267 1202 I C 2.077 177.807 176.117 -0.646 0.000 1.263 1202 I CA 0.900 61.389 61.300 -1.351 0.000 1.471 1202 I CB 0.102 37.461 38.000 -1.069 0.000 1.089 1202 I HN 0.176 nan 8.210 nan 0.000 0.468 1203 G N 0.495 109.023 108.800 -0.453 0.000 3.519 1203 G HA2 0.311 4.270 3.960 -0.002 0.000 0.269 1203 G HA3 0.311 4.270 3.960 -0.002 0.000 0.269 1203 G C 0.354 175.029 174.900 -0.374 0.000 1.028 1203 G CA -0.293 44.635 45.100 -0.287 0.000 0.809 1203 G HN 0.196 nan 8.290 nan 0.000 0.521 1204 I N 1.326 121.595 120.570 -0.502 0.000 2.342 1204 I HA 0.482 4.651 4.170 -0.002 0.000 0.291 1204 I C -0.585 175.193 176.117 -0.564 0.000 1.010 1204 I CA -0.490 60.610 61.300 -0.333 0.000 1.308 1204 I CB 1.147 39.054 38.000 -0.156 0.000 1.400 1204 I HN -0.118 nan 8.210 nan 0.000 0.488 1205 F N 2.884 122.851 119.950 0.029 0.000 2.654 1205 F HA 0.622 5.148 4.527 -0.003 0.000 0.334 1205 F C 0.172 176.016 175.800 0.075 0.000 1.078 1205 F CA -0.597 57.431 58.000 0.046 0.000 0.986 1205 F CB 1.998 41.000 39.000 0.003 0.000 1.362 1205 F HN 0.397 nan 8.300 nan 0.000 0.498 1206 S N 0.335 116.234 115.700 0.330 0.000 2.564 1206 S HA 0.853 5.321 4.470 -0.002 0.000 0.274 1206 S C -1.313 173.446 174.600 0.266 0.000 1.124 1206 S CA -0.762 57.585 58.200 0.245 0.000 0.869 1206 S CB 1.743 65.065 63.200 0.204 0.000 1.105 1206 S HN 0.491 nan 8.310 nan 0.000 0.472 1207 I N 1.319 121.995 120.570 0.178 0.000 2.569 1207 I HA 0.584 4.752 4.170 -0.002 0.000 0.296 1207 I C -0.417 175.795 176.117 0.157 0.000 1.028 1207 I CA -0.641 60.746 61.300 0.144 0.000 1.082 1207 I CB 2.187 40.192 38.000 0.008 0.000 1.264 1207 I HN 0.669 nan 8.210 nan 0.000 0.429 1208 K N 4.812 125.339 120.400 0.212 0.000 2.507 1208 K HA 0.362 4.680 4.320 -0.002 0.000 0.251 1208 K C -1.012 175.666 176.600 0.130 0.000 0.943 1208 K CA -0.739 55.658 56.287 0.183 0.000 0.794 1208 K CB 1.447 34.120 32.500 0.288 0.000 1.188 1208 K HN 0.505 nan 8.250 nan 0.000 0.428 1209 N N 3.431 122.170 118.700 0.063 0.000 2.407 1209 N HA 0.012 4.751 4.740 -0.002 0.000 0.250 1209 N C -0.131 175.383 175.510 0.007 0.000 1.236 1209 N CA 0.255 53.325 53.050 0.033 0.000 0.879 1209 N CB 0.423 38.920 38.487 0.017 0.000 1.088 1209 N HN 0.474 nan 8.380 nan 0.000 0.450 1210 I N 2.202 122.729 120.570 -0.071 0.000 2.365 1210 I HA 0.104 4.272 4.170 -0.002 0.000 0.291 1210 I C 0.213 176.267 176.117 -0.105 0.000 1.004 1210 I CA -0.601 60.596 61.300 -0.173 0.000 1.311 1210 I CB 1.077 38.760 38.000 -0.529 0.000 1.401 1210 I HN 0.072 nan 8.210 nan 0.000 0.491 1211 V N 6.184 126.062 119.914 -0.061 0.000 2.405 1211 V HA 0.244 4.363 4.120 -0.002 0.000 0.264 1211 V C 0.442 176.523 176.094 -0.022 0.000 1.048 1211 V CA 0.197 62.482 62.300 -0.024 0.000 0.966 1211 V CB 0.649 32.473 31.823 0.002 0.000 1.015 1211 V HN 0.838 nan 8.190 nan 0.000 0.477 1212 S N 4.127 119.819 115.700 -0.014 0.000 2.543 1212 S HA 0.419 4.888 4.470 -0.002 0.000 0.271 1212 S C 0.404 175.021 174.600 0.030 0.000 1.148 1212 S CA -0.825 57.375 58.200 -0.000 0.000 0.914 1212 S CB 1.742 64.913 63.200 -0.048 0.000 1.096 1212 S HN 0.702 nan 8.310 nan 0.000 0.471 1213 K N 2.005 122.451 120.400 0.077 0.000 2.228 1213 K HA 0.014 4.332 4.320 -0.002 0.000 0.202 1213 K C 0.868 177.532 176.600 0.106 0.000 1.051 1213 K CA 1.081 57.438 56.287 0.117 0.000 0.960 1213 K CB -0.102 32.441 32.500 0.071 0.000 0.743 1213 K HN 0.708 nan 8.250 nan 0.000 0.458 1214 N N 0.709 119.454 118.700 0.074 0.000 2.187 1214 N HA 0.042 4.781 4.740 -0.002 0.000 0.212 1214 N C -0.711 174.764 175.510 -0.058 0.000 1.152 1214 N CA -0.139 52.968 53.050 0.095 0.000 0.872 1214 N CB 0.511 39.062 38.487 0.107 0.000 1.025 1214 N HN -0.107 nan 8.380 nan 0.000 0.514 1215 K N 0.111 120.450 120.400 -0.101 0.000 2.525 1215 K HA 0.233 4.551 4.320 -0.002 0.000 0.254 1215 K C -1.745 174.765 176.600 -0.151 0.000 0.934 1215 K CA -0.540 55.689 56.287 -0.097 0.000 0.802 1215 K CB 1.628 34.130 32.500 0.004 0.000 1.295 1215 K HN -0.100 nan 8.250 nan 0.000 0.433 1216 Y N 2.212 122.536 120.300 0.040 0.000 2.518 1216 Y HA 0.279 4.827 4.550 -0.002 0.000 0.344 1216 Y C 0.268 176.216 175.900 0.081 0.000 0.982 1216 Y CA -0.502 57.637 58.100 0.065 0.000 1.234 1216 Y CB 0.488 38.994 38.460 0.076 0.000 1.114 1216 Y HN 0.615 nan 8.280 nan 0.000 0.515 1217 C N -0.744 118.654 119.300 0.163 0.000 3.291 1217 C HA 0.950 5.409 4.460 -0.002 0.000 0.316 1217 C C -0.472 174.560 174.990 0.071 0.000 1.391 1217 C CA -0.868 58.229 59.018 0.132 0.000 1.394 1217 C CB 1.618 29.384 27.740 0.043 0.000 1.744 1217 C HN 0.610 nan 8.230 nan 0.000 0.461 1218 S N -0.122 115.676 115.700 0.163 0.000 2.618 1218 S HA 0.624 5.093 4.470 -0.002 0.000 0.277 1218 S C -1.468 173.263 174.600 0.218 0.000 1.138 1218 S CA -0.533 57.763 58.200 0.160 0.000 0.844 1218 S CB 1.740 65.089 63.200 0.247 0.000 1.127 1218 S HN 0.879 nan 8.310 nan 0.000 0.474 1219 Q N 0.668 120.561 119.800 0.156 0.000 2.226 1219 Q HA 0.655 4.993 4.340 -0.002 0.000 0.256 1219 Q C -1.051 174.869 176.000 -0.134 0.000 0.962 1219 Q CA -0.456 55.375 55.803 0.046 0.000 0.887 1219 Q CB 1.588 30.274 28.738 -0.087 0.000 1.282 1219 Q HN 0.509 nan 8.270 nan 0.000 0.449 1220 I N 1.889 122.233 120.570 -0.378 0.000 2.436 1220 I HA 0.434 4.603 4.170 -0.002 0.000 0.289 1220 I C -1.119 174.695 176.117 -0.506 0.000 1.010 1220 I CA -0.544 60.563 61.300 -0.322 0.000 1.098 1220 I CB 1.000 38.760 38.000 -0.400 0.000 1.266 1220 I HN 0.440 nan 8.210 nan 0.000 0.434 1221 F N 3.073 123.093 119.950 0.117 0.000 2.561 1221 F HA 0.599 5.124 4.527 -0.003 0.000 0.321 1221 F C 0.311 176.254 175.800 0.238 0.000 1.065 1221 F CA -0.799 57.272 58.000 0.117 0.000 0.934 1221 F CB 2.161 41.203 39.000 0.071 0.000 1.215 1221 F HN 0.280 nan 8.300 nan 0.000 0.471 1222 S N -0.172 115.756 115.700 0.379 0.000 2.521 1222 S HA 0.516 4.984 4.470 -0.002 0.000 0.295 1222 S C -0.059 174.652 174.600 0.186 0.000 1.098 1222 S CA -0.270 58.045 58.200 0.191 0.000 0.999 1222 S CB 1.280 64.521 63.200 0.069 0.000 1.034 1222 S HN 0.707 nan 8.310 nan 0.000 0.483 1223 S N 3.515 119.290 115.700 0.124 0.000 2.650 1223 S HA 0.293 4.762 4.470 -0.002 0.000 0.240 1223 S C -0.034 174.622 174.600 0.092 0.000 1.007 1223 S CA -0.426 57.841 58.200 0.112 0.000 0.984 1223 S CB -0.410 62.842 63.200 0.085 0.000 0.910 1223 S HN 0.639 nan 8.310 nan 0.000 0.509 1224 F N 4.177 124.084 119.950 -0.072 0.000 2.519 1224 F HA 0.366 4.892 4.527 -0.003 0.000 0.375 1224 F C 1.351 177.101 175.800 -0.083 0.000 1.084 1224 F CA -0.059 57.884 58.000 -0.094 0.000 1.147 1224 F CB -0.147 38.760 39.000 -0.155 0.000 1.088 1224 F HN 0.267 nan 8.300 nan 0.000 0.555 1225 R N 1.668 121.837 120.500 -0.552 0.000 1.373 1225 R HA -0.266 4.073 4.340 -0.002 0.000 0.053 1225 R C -0.373 175.818 176.300 -0.182 0.000 0.951 1225 R CA 2.108 57.926 56.100 -0.470 0.000 1.972 1225 R CB -1.045 28.866 30.300 -0.648 0.000 0.285 1225 R HN 0.695 nan 8.270 nan 0.000 0.723 1226 E N 0.662 120.808 120.200 -0.090 0.000 2.343 1226 E HA 0.332 4.681 4.350 -0.002 0.000 0.270 1226 E C -1.240 175.418 176.600 0.096 0.000 0.895 1226 E CA -0.993 55.422 56.400 0.025 0.000 0.767 1226 E CB 1.311 31.067 29.700 0.094 0.000 1.248 1226 E HN 0.054 nan 8.360 nan 0.000 0.440 1227 N N 1.856 120.641 118.700 0.143 0.000 2.452 1227 N HA 0.139 4.878 4.740 -0.002 0.000 0.266 1227 N C -0.729 175.040 175.510 0.431 0.000 1.175 1227 N CA 0.245 53.452 53.050 0.262 0.000 0.945 1227 N CB 0.795 39.425 38.487 0.239 0.000 1.063 1227 N HN 0.488 nan 8.380 nan 0.000 0.472 1228 T N -1.046 113.771 114.554 0.439 0.000 2.901 1228 T HA 0.685 5.033 4.350 -0.002 0.000 0.293 1228 T C -0.253 174.559 174.700 0.187 0.000 1.084 1228 T CA -1.002 61.347 62.100 0.415 0.000 1.008 1228 T CB 1.759 70.808 68.868 0.302 0.000 1.170 1228 T HN 0.366 nan 8.240 nan 0.000 0.509 1229 M N 2.090 121.637 119.600 -0.088 0.000 2.464 1229 M HA 0.555 5.034 4.480 -0.002 0.000 0.308 1229 M C -1.737 174.498 176.300 -0.109 0.000 1.127 1229 M CA -1.108 53.977 55.300 -0.359 0.000 0.913 1229 M CB 1.652 33.756 32.600 -0.825 0.000 1.689 1229 M HN 0.639 nan 8.290 nan 0.000 0.445 1230 L N 5.722 126.880 121.223 -0.108 0.000 2.331 1230 L HA 0.458 4.797 4.340 -0.002 0.000 0.278 1230 L C -0.750 176.330 176.870 0.349 0.000 1.106 1230 L CA -0.706 54.179 54.840 0.075 0.000 0.824 1230 L CB 0.538 42.498 42.059 -0.164 0.000 1.142 1230 L HN 0.687 nan 8.230 nan 0.000 0.443 1231 L N 1.916 123.351 121.223 0.354 0.000 2.397 1231 L HA 1.038 5.376 4.340 -0.002 0.000 0.251 1231 L C -0.844 176.215 176.870 0.315 0.000 1.064 1231 L CA -0.786 54.227 54.840 0.288 0.000 0.859 1231 L CB 1.773 43.908 42.059 0.127 0.000 1.468 1231 L HN 0.474 nan 8.230 nan 0.000 0.411 1232 A N 0.028 122.941 122.820 0.155 0.000 2.371 1232 A HA 0.899 5.218 4.320 -0.002 0.000 0.311 1232 A C -1.308 176.462 177.584 0.311 0.000 1.068 1232 A CA -0.135 52.051 52.037 0.248 0.000 0.744 1232 A CB 1.110 20.231 19.000 0.201 0.000 1.239 1232 A HN 0.833 nan 8.150 nan 0.000 0.435 1233 D N 0.357 120.942 120.400 0.308 0.000 2.779 1233 D HA 0.273 4.912 4.640 -0.002 0.000 0.331 1233 D C -1.173 175.086 176.300 -0.068 0.000 1.331 1233 D CA -0.406 53.682 54.000 0.147 0.000 0.866 1233 D CB 1.069 41.865 40.800 -0.007 0.000 1.409 1233 D HN 0.291 nan 8.370 nan 0.000 0.486 1234 I N 2.307 122.683 120.570 -0.322 0.000 2.396 1234 I HA 0.242 4.410 4.170 -0.002 0.000 0.289 1234 I C -0.332 175.446 176.117 -0.565 0.000 1.056 1234 I CA 0.148 61.193 61.300 -0.425 0.000 1.365 1234 I CB -0.687 37.053 38.000 -0.432 0.000 1.407 1234 I HN 0.319 nan 8.210 nan 0.000 0.509 1235 Y N 4.642 124.844 120.300 -0.162 0.000 2.669 1235 Y HA 0.405 4.954 4.550 -0.003 0.000 0.335 1235 Y C 0.006 175.835 175.900 -0.119 0.000 1.116 1235 Y CA -1.095 56.931 58.100 -0.123 0.000 1.081 1235 Y CB 1.558 39.945 38.460 -0.121 0.000 1.297 1235 Y HN 0.277 nan 8.280 nan 0.000 0.484 1236 K N 2.704 123.174 120.400 0.116 0.000 2.419 1236 K HA 0.282 4.601 4.320 -0.002 0.000 0.244 1236 K C -2.354 174.255 176.600 0.015 0.000 1.045 1236 K CA -1.486 54.857 56.287 0.094 0.000 1.004 1236 K CB 1.198 33.796 32.500 0.163 0.000 1.376 1236 K HN 0.302 nan 8.250 nan 0.000 0.460 1237 P HA 0.006 nan 4.420 nan 0.000 0.261 1237 P C -0.550 176.557 177.300 -0.322 0.000 1.268 1237 P CA -0.013 62.880 63.100 -0.346 0.000 0.833 1237 P CB 0.427 31.775 31.700 -0.585 0.000 1.231 1238 W N 0.891 122.208 121.300 0.027 0.000 2.381 1238 W HA 0.285 4.944 4.660 -0.002 0.000 0.329 1238 W C 1.356 177.864 176.519 -0.019 0.000 1.157 1238 W CA -0.641 56.717 57.345 0.021 0.000 1.240 1238 W CB 0.855 30.336 29.460 0.034 0.000 1.199 1238 W HN -0.120 nan 8.180 nan 0.000 0.579 1239 R N 1.127 121.742 120.500 0.192 0.000 2.153 1239 R HA -0.017 4.321 4.340 -0.002 0.000 0.218 1239 R C 0.949 177.013 176.300 -0.393 0.000 1.072 1239 R CA 0.891 56.910 56.100 -0.136 0.000 0.990 1239 R CB -0.273 29.889 30.300 -0.230 0.000 0.889 1239 R HN 0.355 nan 8.270 nan 0.000 0.452 1240 F N -0.562 119.403 119.950 0.025 0.000 2.698 1240 F HA 0.308 4.834 4.527 -0.002 0.000 0.304 1240 F C 0.393 176.084 175.800 -0.181 0.000 1.108 1240 F CA -0.299 57.647 58.000 -0.091 0.000 1.263 1240 F CB 0.756 39.713 39.000 -0.073 0.000 1.013 1240 F HN -0.253 nan 8.300 nan 0.000 0.532 1241 S N -0.937 114.749 115.700 -0.023 0.000 2.546 1241 S HA 0.471 4.939 4.470 -0.002 0.000 0.274 1241 S C -0.326 174.271 174.600 -0.005 0.000 1.121 1241 S CA -0.378 57.765 58.200 -0.094 0.000 0.887 1241 S CB 0.697 63.862 63.200 -0.058 0.000 1.094 1241 S HN 0.018 nan 8.310 nan 0.000 0.474 1242 F N 1.940 121.956 119.950 0.110 0.000 2.693 1242 F HA 0.425 4.950 4.527 -0.002 0.000 0.303 1242 F C 1.262 177.137 175.800 0.124 0.000 1.097 1242 F CA -0.350 57.710 58.000 0.100 0.000 1.330 1242 F CB -0.170 38.861 39.000 0.053 0.000 1.067 1242 F HN 0.480 nan 8.300 nan 0.000 0.565 1243 K N 1.534 122.123 120.400 0.316 0.000 2.436 1243 K HA 0.001 4.320 4.320 -0.002 0.000 0.275 1243 K C 0.250 177.059 176.600 0.348 0.000 0.999 1243 K CA -0.125 56.329 56.287 0.279 0.000 0.980 1243 K CB 0.383 32.995 32.500 0.187 0.000 0.919 1243 K HN 0.004 nan 8.250 nan 0.000 0.484 1244 N N 0.906 119.727 118.700 0.202 0.000 2.483 1244 N HA 0.412 5.151 4.740 -0.002 0.000 0.269 1244 N C -1.025 174.551 175.510 0.111 0.000 1.209 1244 N CA -0.174 52.930 53.050 0.091 0.000 0.969 1244 N CB 1.613 40.078 38.487 -0.037 0.000 1.173 1244 N HN 0.661 nan 8.380 nan 0.000 0.475 1245 A N 0.830 123.621 122.820 -0.047 0.000 2.574 1245 A HA 0.446 4.765 4.320 -0.002 0.000 0.297 1245 A C -1.669 175.793 177.584 -0.205 0.000 1.062 1245 A CA -0.664 51.329 52.037 -0.075 0.000 0.686 1245 A CB 0.508 19.443 19.000 -0.109 0.000 1.285 1245 A HN 0.537 nan 8.150 nan 0.000 0.403 1246 Y N 1.353 121.559 120.300 -0.156 0.000 2.537 1246 Y HA 0.379 4.928 4.550 -0.003 0.000 0.339 1246 Y C 0.769 176.559 175.900 -0.183 0.000 1.066 1246 Y CA 1.062 58.995 58.100 -0.279 0.000 1.357 1246 Y CB 0.722 38.868 38.460 -0.523 0.000 1.175 1246 Y HN 0.502 nan 8.280 nan 0.000 0.525 1247 T N 6.458 121.037 114.554 0.042 0.000 2.841 1247 T HA 0.328 4.676 4.350 -0.002 0.000 0.285 1247 T C -2.849 171.913 174.700 0.104 0.000 0.991 1247 T CA -1.987 60.129 62.100 0.027 0.000 0.966 1247 T CB 1.650 70.505 68.868 -0.022 0.000 0.962 1247 T HN 0.178 nan 8.240 nan 0.000 0.438 1248 P HA 0.377 nan 4.420 nan 0.000 0.276 1248 P C -0.704 176.620 177.300 0.040 0.000 1.243 1248 P CA -0.442 62.767 63.100 0.182 0.000 0.768 1248 P CB 0.627 32.412 31.700 0.142 0.000 0.856 1249 V N -0.068 119.879 119.914 0.055 0.000 3.078 1249 V HA 0.913 5.032 4.120 -0.002 0.000 0.311 1249 V C -0.632 175.489 176.094 0.046 0.000 1.138 1249 V CA -1.700 60.573 62.300 -0.045 0.000 1.007 1249 V CB 1.845 33.496 31.823 -0.286 0.000 1.045 1249 V HN 0.514 nan 8.190 nan 0.000 0.432 1250 A N 2.596 125.473 122.820 0.095 0.000 2.252 1250 A HA 0.802 5.121 4.320 -0.002 0.000 0.309 1250 A C -0.096 177.623 177.584 0.226 0.000 1.285 1250 A CA -0.168 51.976 52.037 0.177 0.000 0.900 1250 A CB 0.605 19.746 19.000 0.236 0.000 1.157 1250 A HN 2.140 nan 8.150 nan 0.000 0.536 1251 V N 1.579 121.614 119.914 0.202 0.000 2.581 1251 V HA 0.853 4.971 4.120 -0.002 0.000 0.303 1251 V C 0.288 176.589 176.094 0.344 0.000 1.041 1251 V CA -0.026 62.405 62.300 0.219 0.000 0.907 1251 V CB 0.964 32.896 31.823 0.181 0.000 0.994 1251 V HN 1.023 nan 8.190 nan 0.000 0.442 1252 T N 1.030 115.761 114.554 0.295 0.000 2.847 1252 T HA 0.363 4.712 4.350 -0.002 0.000 0.279 1252 T C 0.401 175.231 174.700 0.217 0.000 0.984 1252 T CA -0.009 62.269 62.100 0.296 0.000 0.988 1252 T CB 0.348 69.338 68.868 0.203 0.000 1.040 1252 T HN 1.157 nan 8.240 nan 0.000 0.528 1253 N N 0.512 119.255 118.700 0.071 0.000 2.714 1253 N HA -0.193 4.545 4.740 -0.002 0.000 0.253 1253 N C -0.053 175.466 175.510 0.015 0.000 1.024 1253 N CA 1.098 54.128 53.050 -0.033 0.000 0.726 1253 N CB -1.786 36.710 38.487 0.015 0.000 0.908 1253 N HN 0.949 nan 8.380 nan 0.000 0.542 1254 Y N -1.742 118.631 120.300 0.122 0.000 2.493 1254 Y HA 0.382 4.930 4.550 -0.003 0.000 0.275 1254 Y C 1.468 177.446 175.900 0.130 0.000 1.183 1254 Y CA -0.546 57.636 58.100 0.137 0.000 1.258 1254 Y CB 0.112 38.685 38.460 0.188 0.000 1.108 1254 Y HN -0.067 nan 8.280 nan 0.000 0.521 1255 E N 1.255 121.451 120.200 -0.008 0.000 2.097 1255 E HA -0.202 4.147 4.350 -0.002 0.000 0.196 1255 E C 2.108 178.780 176.600 0.121 0.000 1.000 1255 E CA 2.569 59.000 56.400 0.051 0.000 0.804 1255 E CB -0.486 29.195 29.700 -0.030 0.000 0.740 1255 E HN 0.637 nan 8.360 nan 0.000 0.454 1256 T N -1.801 112.812 114.554 0.098 0.000 3.160 1256 T HA 0.070 4.418 4.350 -0.002 0.000 0.257 1256 T C 1.250 176.010 174.700 0.100 0.000 1.147 1256 T CA 0.329 62.479 62.100 0.084 0.000 1.064 1256 T CB 0.145 69.045 68.868 0.055 0.000 0.949 1256 T HN -0.112 nan 8.240 nan 0.000 0.526 1257 K N 0.418 120.912 120.400 0.155 0.000 2.358 1257 K HA 0.395 4.714 4.320 -0.002 0.000 0.200 1257 K C 1.567 178.264 176.600 0.162 0.000 1.030 1257 K CA -0.088 56.280 56.287 0.136 0.000 1.097 1257 K CB 0.124 32.719 32.500 0.160 0.000 0.862 1257 K HN 0.390 nan 8.250 nan 0.000 0.534 1258 L N 0.399 121.757 121.223 0.224 0.000 2.275 1258 L HA -0.054 4.285 4.340 -0.002 0.000 0.215 1258 L C 1.577 178.603 176.870 0.261 0.000 1.119 1258 L CA 1.038 56.046 54.840 0.280 0.000 0.790 1258 L CB -0.138 42.098 42.059 0.295 0.000 0.919 1258 L HN 0.065 nan 8.230 nan 0.000 0.443 1259 L N -1.719 119.603 121.223 0.166 0.000 2.667 1259 L HA 0.143 4.482 4.340 -0.002 0.000 0.232 1259 L C 1.014 177.857 176.870 -0.046 0.000 1.138 1259 L CA -0.230 54.704 54.840 0.157 0.000 0.921 1259 L CB 0.322 42.450 42.059 0.115 0.000 1.180 1259 L HN 0.003 nan 8.230 nan 0.000 0.487 1260 S N 0.023 115.635 115.700 -0.147 0.000 2.505 1260 S HA 0.068 4.537 4.470 -0.002 0.000 0.276 1260 S C 1.562 175.664 174.600 -0.830 0.000 1.274 1260 S CA -0.190 57.810 58.200 -0.332 0.000 1.053 1260 S CB 0.919 64.010 63.200 -0.183 0.000 0.919 1260 S HN 0.433 nan 8.310 nan 0.000 0.490 1261 T N 1.890 115.915 114.554 -0.883 0.000 2.977 1261 T HA -0.128 4.221 4.350 -0.002 0.000 0.271 1261 T C 1.893 176.128 174.700 -0.775 0.000 1.105 1261 T CA 1.230 62.630 62.100 -1.167 0.000 1.116 1261 T CB -0.698 67.816 68.868 -0.591 0.000 0.878 1261 T HN 0.728 nan 8.240 nan 0.000 0.509 1262 S N 2.030 117.413 115.700 -0.529 0.000 2.500 1262 S HA -0.075 4.393 4.470 -0.002 0.000 0.239 1262 S C 1.997 176.363 174.600 -0.389 0.000 0.989 1262 S CA 0.828 58.799 58.200 -0.381 0.000 0.951 1262 S CB -0.737 62.349 63.200 -0.190 0.000 0.759 1262 S HN 0.745 nan 8.310 nan 0.000 0.523 1263 S N -0.260 115.214 115.700 -0.377 0.000 2.540 1263 S HA 0.400 4.869 4.470 -0.002 0.000 0.218 1263 S C -0.193 174.392 174.600 -0.024 0.000 0.977 1263 S CA -0.813 57.301 58.200 -0.143 0.000 0.918 1263 S CB -0.369 62.845 63.200 0.022 0.000 0.806 1263 S HN 0.283 nan 8.310 nan 0.000 0.496 1264 F N 1.902 121.586 119.950 -0.443 0.000 2.410 1264 F HA 0.624 5.149 4.527 -0.003 0.000 0.349 1264 F C -0.326 175.138 175.800 -0.560 0.000 1.117 1264 F CA -2.435 55.375 58.000 -0.317 0.000 1.104 1264 F CB 0.153 39.047 39.000 -0.177 0.000 1.122 1264 F HN 0.201 nan 8.300 nan 0.000 0.483 1265 W N 2.766 124.110 121.300 0.074 0.000 2.666 1265 W HA 0.659 5.317 4.660 -0.002 0.000 0.334 1265 W C -0.536 175.887 176.519 -0.159 0.000 1.051 1265 W CA -0.740 56.529 57.345 -0.126 0.000 1.224 1265 W CB 1.735 31.024 29.460 -0.286 0.000 1.405 1265 W HN 0.247 nan 8.180 nan 0.000 0.513 1266 K N 1.651 122.029 120.400 -0.037 0.000 2.328 1266 K HA 0.635 4.953 4.320 -0.002 0.000 0.246 1266 K C -1.561 174.889 176.600 -0.251 0.000 0.955 1266 K CA -1.095 55.193 56.287 0.002 0.000 0.817 1266 K CB 2.044 34.628 32.500 0.141 0.000 1.208 1266 K HN 0.207 nan 8.250 nan 0.000 0.432 1267 F N 2.494 122.462 119.950 0.030 0.000 2.366 1267 F HA 0.406 4.931 4.527 -0.003 0.000 0.366 1267 F C -0.013 175.863 175.800 0.126 0.000 1.096 1267 F CA -0.705 57.277 58.000 -0.031 0.000 1.060 1267 F CB 0.665 39.400 39.000 -0.442 0.000 1.282 1267 F HN 0.178 nan 8.300 nan 0.000 0.450 1268 I N 3.504 124.273 120.570 0.332 0.000 2.301 1268 I HA 0.211 4.380 4.170 -0.002 0.000 0.292 1268 I C 0.328 176.851 176.117 0.677 0.000 1.046 1268 I CA -0.370 61.126 61.300 0.326 0.000 1.282 1268 I CB 0.632 38.699 38.000 0.112 0.000 1.409 1268 I HN 0.538 nan 8.210 nan 0.000 0.484 1269 S N 5.993 122.161 115.700 0.780 0.000 2.610 1269 S HA 0.377 4.845 4.470 -0.002 0.000 0.273 1269 S C 0.096 175.041 174.600 0.576 0.000 1.274 1269 S CA -0.942 57.583 58.200 0.542 0.000 1.023 1269 S CB 1.425 64.900 63.200 0.459 0.000 0.962 1269 S HN 0.638 nan 8.310 nan 0.000 0.523 1270 R N 1.676 122.251 120.500 0.125 0.000 2.309 1270 R HA 0.103 4.441 4.340 -0.002 0.000 0.331 1270 R C -0.735 175.596 176.300 0.052 0.000 1.116 1270 R CA 0.002 55.996 56.100 -0.178 0.000 0.970 1270 R CB -0.198 29.891 30.300 -0.351 0.000 1.024 1270 R HN 0.750 nan 8.270 nan 0.000 0.472 1271 D N 4.555 125.054 120.400 0.165 0.000 2.185 1271 D HA 0.206 4.845 4.640 -0.002 0.000 0.247 1271 D C -1.826 174.485 176.300 0.019 0.000 1.027 1271 D CA -2.262 51.712 54.000 -0.043 0.000 0.861 1271 D CB 2.279 42.750 40.800 -0.549 0.000 1.202 1271 D HN 0.251 nan 8.370 nan 0.000 0.453 1272 P HA 0.027 nan 4.420 nan 0.000 0.225 1272 P C 1.032 178.457 177.300 0.209 0.000 1.148 1272 P CA 0.601 63.798 63.100 0.163 0.000 0.779 1272 P CB 0.198 32.050 31.700 0.254 0.000 0.780 1273 G N -2.917 106.004 108.800 0.202 0.000 3.141 1273 G HA2 -0.048 3.910 3.960 -0.002 0.000 0.218 1273 G HA3 -0.048 3.910 3.960 -0.002 0.000 0.218 1273 G C -0.478 174.491 174.900 0.115 0.000 1.170 1273 G CA -0.136 45.098 45.100 0.223 0.000 0.769 1273 G HN 0.232 nan 8.290 nan 0.000 0.546 1274 W N 1.333 122.565 121.300 -0.113 0.000 2.604 1274 W HA 0.516 5.175 4.660 -0.003 0.000 0.302 1274 W C -1.730 174.883 176.519 0.158 0.000 1.013 1274 W CA -0.891 56.440 57.345 -0.024 0.000 1.338 1274 W CB 1.339 30.708 29.460 -0.152 0.000 1.233 1274 W HN -0.250 nan 8.180 nan 0.000 0.390 1275 V N 5.945 125.879 119.914 0.035 0.000 2.394 1275 V HA 0.347 4.465 4.120 -0.002 0.000 0.282 1275 V C 0.150 176.285 176.094 0.069 0.000 1.031 1275 V CA -0.094 62.284 62.300 0.129 0.000 0.881 1275 V CB 1.653 33.506 31.823 0.050 0.000 0.982 1275 V HN 0.405 nan 8.190 nan 0.000 0.451 1276 E N 0.000 120.351 120.200 0.252 0.000 2.725 1276 E HA 0.000 4.349 4.350 -0.002 0.000 0.291 1276 E CA 0.000 56.514 56.400 0.191 0.000 0.976 1276 E CB 0.000 29.874 29.700 0.290 0.000 0.812 1276 E HN 0.000 nan 8.360 nan 0.000 0.440