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 3fks_1_L DATA FIRST_RESID 26 DATA SEQUENCE NLNETGRVLA VGDGIARVFG LNNIQAEELV EFSSGVKGMA LNLEPGQVGI DATA SEQUENCE VLFGSDRLVK EGELVKRTGN IVDVPVGPGL LGRVVDALGN PIDGKGPIDA DATA SEQUENCE AGRSRAQVKA PGILPRRSVH EPVQTGLKAV DALVPIGRGQ RELIIGDRQT DATA SEQUENCE GKTAVALDTI LNQKRWNNGS DESKKLYCVY VAVGQKRSTV AQLVQTLEQH DATA SEQUENCE DAMKYSIIVA ATASEAAPLQ YLAPFTAASI GEWFRDNGKH ALIVYDDLSK DATA SEQUENCE QAVAYRQLSL LLRRPPGREA YPGDVFYLHS RLLERAAKLS EKEGSGSLTA DATA SEQUENCE LPVIETQGGD VSAYIPTNVI SITDGQIFLE AELFYKGIRP AINVGLSVSR DATA SEQUENCE VGSAAQVKAL KQVAGSLKLF LAQYREVAAF AQFGSDLDAS TKQTLVRGER DATA SEQUENCE LTQLLKQNQY SPLATEEQVP LIYAGVNGHL DGIELSRIGE FESSFLSYLK DATA SEQUENCE SNHNELLTEI REKGELSKEL LASLKSATES FVAT 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 26 N HA 0.000 nan 4.740 nan 0.000 0.220 26 N C 0.000 175.520 175.510 0.017 0.000 1.280 26 N CA 0.000 53.059 53.050 0.015 0.000 0.885 26 N CB 0.000 38.492 38.487 0.008 0.000 1.341 27 L N 1.110 122.349 121.223 0.027 0.000 2.645 27 L HA 0.184 4.524 4.340 -0.000 0.000 0.235 27 L C 1.243 178.114 176.870 0.002 0.000 1.150 27 L CA 0.443 55.302 54.840 0.031 0.000 0.911 27 L CB -0.313 41.789 42.059 0.072 0.000 1.077 27 L HN 0.424 nan 8.230 nan 0.000 0.438 28 N N -0.287 118.411 118.700 -0.003 0.000 2.409 28 N HA -0.086 4.654 4.740 -0.000 0.000 0.179 28 N C 1.192 176.692 175.510 -0.017 0.000 1.032 28 N CA 0.608 53.650 53.050 -0.014 0.000 0.898 28 N CB 0.373 38.855 38.487 -0.010 0.000 0.971 28 N HN 0.214 nan 8.380 nan 0.000 0.441 29 E N -0.384 119.808 120.200 -0.013 0.000 2.601 29 E HA 0.099 4.449 4.350 -0.000 0.000 0.219 29 E C -0.060 176.527 176.600 -0.022 0.000 0.964 29 E CA 0.305 56.696 56.400 -0.016 0.000 1.050 29 E CB 0.996 30.690 29.700 -0.010 0.000 1.068 29 E HN 0.310 nan 8.360 nan 0.000 0.496 30 T N -2.439 112.104 114.554 -0.020 0.000 2.838 30 T HA 0.815 5.165 4.350 -0.000 0.000 0.292 30 T C 0.194 174.882 174.700 -0.020 0.000 1.113 30 T CA -0.799 61.285 62.100 -0.027 0.000 1.008 30 T CB 2.494 71.352 68.868 -0.016 0.000 1.259 30 T HN -0.002 nan 8.240 nan 0.000 0.520 31 G N -0.156 108.627 108.800 -0.029 0.000 2.677 31 G HA2 0.634 4.594 3.960 -0.000 0.000 0.291 31 G HA3 0.634 4.594 3.960 -0.000 0.000 0.291 31 G C -1.743 173.162 174.900 0.009 0.000 1.435 31 G CA -1.094 44.008 45.100 0.003 0.000 0.826 31 G HN 0.752 nan 8.290 nan 0.000 0.491 32 R N 0.201 120.748 120.500 0.078 0.000 2.445 32 R HA 0.484 4.824 4.340 -0.000 0.000 0.308 32 R C -0.504 175.840 176.300 0.073 0.000 0.961 32 R CA -0.759 55.376 56.100 0.057 0.000 0.862 32 R CB 2.485 32.814 30.300 0.048 0.000 1.144 32 R HN 0.301 nan 8.270 nan 0.000 0.447 33 V N 5.731 125.678 119.914 0.054 0.000 2.425 33 V HA -0.048 4.072 4.120 -0.000 0.000 0.276 33 V C 1.631 177.771 176.094 0.076 0.000 1.017 33 V CA 0.495 62.846 62.300 0.085 0.000 1.062 33 V CB 0.308 32.205 31.823 0.125 0.000 0.997 33 V HN 0.768 nan 8.190 nan 0.000 0.476 34 L N 4.332 125.608 121.223 0.089 0.000 2.131 34 L HA 0.292 4.632 4.340 -0.000 0.000 0.206 34 L C 1.001 177.903 176.870 0.054 0.000 1.087 34 L CA 1.344 56.226 54.840 0.070 0.000 0.767 34 L CB -0.054 42.065 42.059 0.099 0.000 0.917 34 L HN 0.798 nan 8.230 nan 0.000 0.441 35 A N -1.231 121.627 122.820 0.063 0.000 2.608 35 A HA 0.639 4.959 4.320 -0.000 0.000 0.292 35 A C -1.724 175.895 177.584 0.058 0.000 1.066 35 A CA -0.391 51.675 52.037 0.049 0.000 0.676 35 A CB 1.796 20.817 19.000 0.035 0.000 1.277 35 A HN -0.223 nan 8.150 nan 0.000 0.413 36 V N -0.080 119.859 119.914 0.041 0.000 2.969 36 V HA 0.919 5.039 4.120 -0.000 0.000 0.304 36 V C -0.364 175.733 176.094 0.005 0.000 1.192 36 V CA 0.812 63.131 62.300 0.032 0.000 0.962 36 V CB 2.091 33.941 31.823 0.046 0.000 1.045 36 V HN 2.587 nan 8.190 nan 0.000 0.428 37 G N 3.428 112.221 108.800 -0.011 0.000 2.318 37 G HA2 0.507 4.466 3.960 -0.000 0.000 0.306 37 G HA3 0.507 4.466 3.960 -0.000 0.000 0.306 37 G C -0.949 173.932 174.900 -0.031 0.000 1.696 37 G CA 0.118 45.206 45.100 -0.020 0.000 0.905 37 G HN 1.067 nan 8.290 nan 0.000 0.700 38 D N 0.073 120.452 120.400 -0.037 0.000 2.809 38 D HA -0.087 4.553 4.640 -0.000 0.000 0.234 38 D C 1.609 177.876 176.300 -0.055 0.000 1.111 38 D CA 2.778 56.753 54.000 -0.041 0.000 0.726 38 D CB -1.226 39.552 40.800 -0.037 0.000 1.089 38 D HN 2.301 nan 8.370 nan 0.000 0.436 39 G N -1.127 107.632 108.800 -0.069 0.000 2.155 39 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 39 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 39 G C 0.263 175.104 174.900 -0.098 0.000 0.983 39 G CA 0.563 45.607 45.100 -0.094 0.000 0.676 39 G HN 0.508 nan 8.290 nan 0.000 0.528 40 I N -0.057 120.472 120.570 -0.069 0.000 2.846 40 I HA 0.854 5.024 4.170 -0.000 0.000 0.307 40 I C 0.264 176.380 176.117 -0.002 0.000 1.053 40 I CA -0.943 60.332 61.300 -0.042 0.000 1.050 40 I CB 1.785 39.763 38.000 -0.038 0.000 1.239 40 I HN 0.661 nan 8.210 nan 0.000 0.439 41 A N 4.501 127.350 122.820 0.049 0.000 2.465 41 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 41 A C -0.830 176.816 177.584 0.104 0.000 1.041 41 A CA -0.732 51.375 52.037 0.116 0.000 0.718 41 A CB 1.204 20.367 19.000 0.271 0.000 1.266 41 A HN 0.692 nan 8.150 nan 0.000 0.403 42 R N 1.429 121.979 120.500 0.083 0.000 2.198 42 R HA 0.533 4.873 4.340 -0.000 0.000 0.339 42 R C -0.821 175.529 176.300 0.084 0.000 1.020 42 R CA -0.243 55.898 56.100 0.067 0.000 0.864 42 R CB 1.478 31.811 30.300 0.054 0.000 1.105 42 R HN 0.433 nan 8.270 nan 0.000 0.463 43 V N 4.200 124.154 119.914 0.066 0.000 2.547 43 V HA 0.331 4.451 4.120 -0.000 0.000 0.299 43 V C -0.633 175.510 176.094 0.083 0.000 1.040 43 V CA -0.757 61.582 62.300 0.065 0.000 0.913 43 V CB 1.519 33.340 31.823 -0.004 0.000 0.992 43 V HN 0.527 nan 8.190 nan 0.000 0.449 44 F N 4.014 123.953 119.950 -0.018 0.000 2.385 44 F HA 0.768 5.295 4.527 -0.000 0.000 0.360 44 F C 0.622 176.407 175.800 -0.025 0.000 1.122 44 F CA 0.985 58.975 58.000 -0.017 0.000 1.090 44 F CB 0.683 39.676 39.000 -0.011 0.000 1.150 44 F HN 0.811 nan 8.300 nan 0.000 0.472 45 G N 3.983 112.631 108.800 -0.252 0.000 2.255 45 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.216 45 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.216 45 G C -0.204 174.623 174.900 -0.121 0.000 1.307 45 G CA -0.510 44.516 45.100 -0.123 0.000 1.162 45 G HN 1.072 nan 8.290 nan 0.000 0.494 46 L N -0.231 120.953 121.223 -0.066 0.000 3.660 46 L HA -0.191 4.149 4.340 -0.000 0.000 0.440 46 L C 1.182 178.011 176.870 -0.069 0.000 1.262 46 L CA 0.446 55.249 54.840 -0.060 0.000 0.837 46 L CB -1.448 40.574 42.059 -0.062 0.000 1.689 46 L HN 0.583 nan 8.230 nan 0.000 0.890 47 N N 0.304 118.961 118.700 -0.072 0.000 2.609 47 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 47 N C 1.041 176.522 175.510 -0.048 0.000 1.157 47 N CA 0.709 53.714 53.050 -0.074 0.000 0.918 47 N CB -0.028 38.414 38.487 -0.073 0.000 0.978 47 N HN 0.553 nan 8.380 nan 0.000 0.448 48 N N 0.177 118.854 118.700 -0.037 0.000 2.197 48 N HA 0.205 4.945 4.740 -0.000 0.000 0.228 48 N C 0.157 175.654 175.510 -0.021 0.000 1.212 48 N CA -0.205 52.830 53.050 -0.025 0.000 0.883 48 N CB 1.326 39.802 38.487 -0.018 0.000 1.107 48 N HN 0.226 nan 8.380 nan 0.000 0.519 49 I N 0.855 121.409 120.570 -0.025 0.000 3.138 49 I HA -0.018 4.152 4.170 -0.000 0.000 0.288 49 I C 0.177 176.288 176.117 -0.010 0.000 1.148 49 I CA 0.011 61.301 61.300 -0.017 0.000 1.315 49 I CB 0.736 38.723 38.000 -0.022 0.000 1.426 49 I HN -0.009 nan 8.210 nan 0.000 0.615 50 Q N 3.108 122.908 119.800 0.001 0.000 2.297 50 Q HA 0.598 4.938 4.340 -0.000 0.000 0.268 50 Q C -0.703 175.306 176.000 0.014 0.000 1.045 50 Q CA -1.067 54.740 55.803 0.007 0.000 0.861 50 Q CB 1.794 30.539 28.738 0.011 0.000 1.344 50 Q HN 0.734 nan 8.270 nan 0.000 0.452 51 A N 1.302 124.132 122.820 0.016 0.000 2.477 51 A HA 0.109 4.429 4.320 -0.000 0.000 0.246 51 A C 0.057 177.662 177.584 0.036 0.000 1.078 51 A CA 0.177 52.228 52.037 0.023 0.000 0.770 51 A CB -0.095 18.918 19.000 0.022 0.000 1.011 51 A HN 0.911 nan 8.150 nan 0.000 0.494 52 E N -0.428 119.800 120.200 0.048 0.000 2.791 52 E HA -0.208 4.142 4.350 -0.000 0.000 0.271 52 E C 0.141 176.785 176.600 0.073 0.000 1.044 52 E CA 1.226 57.667 56.400 0.068 0.000 0.814 52 E CB -1.201 28.535 29.700 0.058 0.000 1.400 52 E HN 0.900 nan 8.360 nan 0.000 0.423 53 E N 0.663 120.902 120.200 0.065 0.000 2.319 53 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 53 E C -0.502 176.157 176.600 0.099 0.000 1.050 53 E CA -0.632 55.806 56.400 0.064 0.000 0.878 53 E CB 0.791 30.515 29.700 0.040 0.000 1.066 53 E HN 0.087 nan 8.360 nan 0.000 0.406 54 L N 4.923 126.202 121.223 0.093 0.000 2.292 54 L HA 0.324 4.664 4.340 -0.000 0.000 0.284 54 L C -0.937 175.995 176.870 0.103 0.000 1.065 54 L CA -0.350 54.566 54.840 0.127 0.000 0.806 54 L CB 1.242 43.349 42.059 0.080 0.000 1.175 54 L HN 0.384 nan 8.230 nan 0.000 0.431 55 V N 1.432 121.434 119.914 0.145 0.000 2.823 55 V HA 0.687 4.807 4.120 -0.000 0.000 0.312 55 V C -0.611 175.571 176.094 0.147 0.000 1.072 55 V CA -0.771 61.581 62.300 0.087 0.000 0.937 55 V CB 1.892 33.726 31.823 0.018 0.000 1.013 55 V HN 0.796 nan 8.190 nan 0.000 0.430 56 E N 2.378 122.622 120.200 0.072 0.000 2.183 56 E HA 0.586 4.936 4.350 -0.000 0.000 0.271 56 E C -1.574 175.075 176.600 0.081 0.000 0.919 56 E CA -0.502 55.987 56.400 0.147 0.000 0.781 56 E CB 2.257 32.014 29.700 0.095 0.000 1.140 56 E HN 0.652 nan 8.360 nan 0.000 0.402 57 F N 0.636 120.617 119.950 0.052 0.000 2.378 57 F HA 0.066 4.593 4.527 -0.000 0.000 0.325 57 F C 1.827 177.648 175.800 0.034 0.000 1.097 57 F CA -0.389 57.637 58.000 0.042 0.000 1.079 57 F CB 1.315 40.342 39.000 0.044 0.000 1.240 57 F HN 0.444 nan 8.300 nan 0.000 0.519 58 S N -1.407 114.405 115.700 0.188 0.000 2.527 58 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 58 S C 1.651 176.317 174.600 0.110 0.000 0.985 58 S CA 0.658 58.924 58.200 0.110 0.000 0.921 58 S CB -0.690 62.551 63.200 0.068 0.000 0.772 58 S HN 0.629 nan 8.310 nan 0.000 0.529 59 S N 0.509 116.295 115.700 0.143 0.000 2.470 59 S HA 0.457 4.927 4.470 -0.000 0.000 0.225 59 S C 1.607 176.255 174.600 0.079 0.000 1.006 59 S CA 0.614 58.871 58.200 0.094 0.000 0.934 59 S CB -0.262 62.986 63.200 0.081 0.000 0.778 59 S HN 1.218 nan 8.310 nan 0.000 0.517 60 G N -0.035 108.828 108.800 0.105 0.000 2.425 60 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.177 60 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.177 60 G C -0.100 174.855 174.900 0.091 0.000 0.999 60 G CA -0.139 45.011 45.100 0.083 0.000 0.723 60 G HN 0.845 nan 8.290 nan 0.000 0.491 61 V N 1.935 121.911 119.914 0.102 0.000 2.509 61 V HA 0.680 4.800 4.120 -0.000 0.000 0.284 61 V C 0.345 176.559 176.094 0.201 0.000 1.047 61 V CA -0.552 61.793 62.300 0.074 0.000 0.952 61 V CB 1.206 32.981 31.823 -0.079 0.000 0.988 61 V HN 0.243 nan 8.190 nan 0.000 0.469 62 K N 4.365 124.894 120.400 0.214 0.000 2.098 62 K HA 0.739 5.059 4.320 -0.000 0.000 0.257 62 K C 0.090 176.986 176.600 0.493 0.000 0.999 62 K CA -0.013 56.467 56.287 0.322 0.000 0.924 62 K CB 1.634 34.241 32.500 0.179 0.000 1.028 62 K HN 0.935 nan 8.250 nan 0.000 0.466 63 G N 0.456 109.601 108.800 0.574 0.000 2.708 63 G HA2 0.606 4.566 3.960 -0.000 0.000 0.289 63 G HA3 0.606 4.566 3.960 -0.000 0.000 0.289 63 G C -1.791 173.389 174.900 0.467 0.000 1.416 63 G CA -0.719 44.682 45.100 0.503 0.000 0.829 63 G HN 0.500 nan 8.290 nan 0.000 0.480 64 M N 0.865 120.593 119.600 0.212 0.000 2.267 64 M HA 0.675 5.155 4.480 -0.000 0.000 0.289 64 M C -0.729 175.626 176.300 0.092 0.000 1.043 64 M CA -0.827 54.596 55.300 0.206 0.000 0.928 64 M CB 1.969 34.708 32.600 0.232 0.000 1.613 64 M HN 0.772 nan 8.290 nan 0.000 0.450 65 A N 5.336 128.212 122.820 0.092 0.000 2.302 65 A HA 0.535 4.855 4.320 -0.000 0.000 0.295 65 A C -0.132 177.477 177.584 0.040 0.000 1.235 65 A CA -0.472 51.596 52.037 0.051 0.000 0.876 65 A CB 0.120 19.142 19.000 0.037 0.000 1.133 65 A HN 1.078 nan 8.150 nan 0.000 0.533 66 L N 1.662 122.896 121.223 0.019 0.000 2.445 66 L HA 0.173 4.513 4.340 -0.000 0.000 0.207 66 L C 0.115 176.987 176.870 0.003 0.000 1.053 66 L CA 0.133 54.981 54.840 0.014 0.000 0.841 66 L CB 0.027 42.081 42.059 -0.009 0.000 1.074 66 L HN 0.551 nan 8.230 nan 0.000 0.479 67 N N 0.936 119.631 118.700 -0.007 0.000 2.438 67 N HA 0.406 5.146 4.740 -0.000 0.000 0.282 67 N C -0.727 174.775 175.510 -0.012 0.000 1.037 67 N CA -0.016 53.027 53.050 -0.012 0.000 0.942 67 N CB 1.570 40.045 38.487 -0.019 0.000 1.136 67 N HN 0.018 nan 8.380 nan 0.000 0.481 68 L N 1.872 123.086 121.223 -0.015 0.000 2.679 68 L HA 0.308 4.648 4.340 -0.000 0.000 0.238 68 L C 0.232 177.084 176.870 -0.030 0.000 1.330 68 L CA -0.370 54.455 54.840 -0.024 0.000 0.935 68 L CB 0.127 42.174 42.059 -0.020 0.000 1.243 68 L HN 0.349 nan 8.230 nan 0.000 0.484 69 E N 0.956 121.137 120.200 -0.032 0.000 2.408 69 E HA 0.064 4.414 4.350 -0.000 0.000 0.259 69 E C -1.446 175.125 176.600 -0.049 0.000 1.110 69 E CA -1.575 54.805 56.400 -0.033 0.000 0.929 69 E CB 0.713 30.397 29.700 -0.025 0.000 0.971 69 E HN 0.142 nan 8.360 nan 0.000 0.438 70 P HA -0.202 nan 4.420 nan 0.000 0.213 70 P C 1.237 178.484 177.300 -0.088 0.000 1.170 70 P CA 1.541 64.608 63.100 -0.056 0.000 0.902 70 P CB -0.020 31.659 31.700 -0.035 0.000 0.789 71 G N -0.457 108.304 108.800 -0.066 0.000 2.505 71 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 71 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 71 G C 0.752 175.562 174.900 -0.151 0.000 1.237 71 G CA 0.604 45.656 45.100 -0.080 0.000 0.802 71 G HN 0.447 nan 8.290 nan 0.000 0.549 72 Q N -1.052 118.706 119.800 -0.071 0.000 2.576 72 Q HA 0.674 5.014 4.340 -0.000 0.000 0.249 72 Q C -1.608 174.355 176.000 -0.061 0.000 1.041 72 Q CA -0.882 54.887 55.803 -0.057 0.000 0.928 72 Q CB 2.255 31.008 28.738 0.024 0.000 1.302 72 Q HN 0.057 nan 8.270 nan 0.000 0.504 73 V N 0.273 120.165 119.914 -0.036 0.000 2.483 73 V HA 0.506 4.626 4.120 -0.000 0.000 0.297 73 V C -0.067 176.027 176.094 0.000 0.000 1.027 73 V CA -0.620 61.663 62.300 -0.028 0.000 0.855 73 V CB 1.539 33.339 31.823 -0.040 0.000 0.995 73 V HN 0.873 nan 8.190 nan 0.000 0.424 74 G N 5.402 114.201 108.800 -0.002 0.000 2.351 74 G HA2 0.636 4.596 3.960 -0.000 0.000 0.287 74 G HA3 0.636 4.596 3.960 -0.000 0.000 0.287 74 G C -0.633 174.275 174.900 0.014 0.000 1.159 74 G CA -0.132 44.970 45.100 0.004 0.000 0.929 74 G HN 0.605 nan 8.290 nan 0.000 0.435 75 I N 2.654 123.247 120.570 0.039 0.000 2.466 75 I HA 0.262 4.432 4.170 -0.000 0.000 0.289 75 I C 0.060 176.194 176.117 0.027 0.000 1.026 75 I CA -1.218 60.119 61.300 0.062 0.000 1.078 75 I CB 2.391 40.480 38.000 0.149 0.000 1.249 75 I HN 0.365 nan 8.210 nan 0.000 0.429 76 V N 4.936 124.817 119.914 -0.055 0.000 2.509 76 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 76 V C -0.057 175.886 176.094 -0.252 0.000 1.047 76 V CA -0.726 61.481 62.300 -0.154 0.000 0.952 76 V CB 1.339 33.035 31.823 -0.212 0.000 0.988 76 V HN 0.522 nan 8.190 nan 0.000 0.469 77 L N 3.273 124.349 121.223 -0.245 0.000 2.395 77 L HA 0.397 4.737 4.340 -0.000 0.000 0.269 77 L C 0.538 177.219 176.870 -0.315 0.000 1.133 77 L CA -0.133 54.552 54.840 -0.259 0.000 0.812 77 L CB 0.857 42.769 42.059 -0.245 0.000 1.125 77 L HN 0.655 nan 8.230 nan 0.000 0.452 78 F N 0.030 119.966 119.950 -0.024 0.000 2.721 78 F HA 0.226 4.753 4.527 -0.000 0.000 0.301 78 F C 1.305 177.098 175.800 -0.012 0.000 1.096 78 F CA 0.053 58.058 58.000 0.007 0.000 1.308 78 F CB 0.430 39.448 39.000 0.031 0.000 1.086 78 F HN 0.537 nan 8.300 nan 0.000 0.587 79 G N -1.151 107.701 108.800 0.087 0.000 3.286 79 G HA2 0.393 4.353 3.960 -0.000 0.000 0.166 79 G HA3 0.393 4.353 3.960 -0.000 0.000 0.166 79 G C -0.695 174.192 174.900 -0.022 0.000 1.155 79 G CA -0.221 44.899 45.100 0.034 0.000 0.871 79 G HN -0.000 nan 8.290 nan 0.000 0.637 80 S N -0.828 114.847 115.700 -0.040 0.000 2.722 80 S HA 0.389 4.859 4.470 -0.000 0.000 0.292 80 S C 0.519 175.067 174.600 -0.087 0.000 1.135 80 S CA -0.394 57.777 58.200 -0.049 0.000 1.003 80 S CB 1.282 64.466 63.200 -0.027 0.000 1.067 80 S HN 0.421 nan 8.310 nan 0.000 0.546 81 D N 1.844 122.201 120.400 -0.072 0.000 2.216 81 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 81 D C 2.006 178.269 176.300 -0.061 0.000 0.960 81 D CA 0.527 54.478 54.000 -0.082 0.000 0.861 81 D CB -0.278 40.487 40.800 -0.058 0.000 0.985 81 D HN 0.696 nan 8.370 nan 0.000 0.493 82 R N 1.512 121.989 120.500 -0.039 0.000 2.103 82 R HA -0.122 4.218 4.340 -0.000 0.000 0.242 82 R C 2.362 178.651 176.300 -0.018 0.000 1.142 82 R CA 1.102 57.189 56.100 -0.022 0.000 0.960 82 R CB -1.085 29.207 30.300 -0.013 0.000 0.858 82 R HN 0.165 nan 8.270 nan 0.000 0.439 83 L N 1.613 122.821 121.223 -0.026 0.000 2.127 83 L HA -0.035 4.305 4.340 -0.000 0.000 0.211 83 L C 0.795 177.666 176.870 0.001 0.000 1.089 83 L CA 0.515 55.348 54.840 -0.011 0.000 0.757 83 L CB -0.245 41.804 42.059 -0.017 0.000 0.899 83 L HN 0.018 nan 8.230 nan 0.000 0.434 84 V N 0.395 120.293 119.914 -0.027 0.000 2.649 84 V HA 0.173 4.293 4.120 -0.000 0.000 0.292 84 V C 0.132 176.250 176.094 0.040 0.000 1.055 84 V CA -0.282 62.029 62.300 0.018 0.000 1.023 84 V CB 1.288 33.076 31.823 -0.059 0.000 0.992 84 V HN 0.202 nan 8.190 nan 0.000 0.480 85 K N 1.928 122.373 120.400 0.075 0.000 2.372 85 K HA 0.495 4.815 4.320 -0.000 0.000 0.251 85 K C -0.546 176.096 176.600 0.070 0.000 1.055 85 K CA -0.941 55.380 56.287 0.056 0.000 0.879 85 K CB 2.012 34.538 32.500 0.043 0.000 1.384 85 K HN 0.737 nan 8.250 nan 0.000 0.465 86 E N -0.086 120.143 120.200 0.048 0.000 2.390 86 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 86 E C 0.487 177.111 176.600 0.040 0.000 1.076 86 E CA 0.854 57.281 56.400 0.045 0.000 0.905 86 E CB 0.426 30.142 29.700 0.027 0.000 0.984 86 E HN 0.711 nan 8.360 nan 0.000 0.427 87 G N 2.883 111.705 108.800 0.036 0.000 2.196 87 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.268 87 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.268 87 G C 0.273 175.192 174.900 0.031 0.000 0.975 87 G CA 0.814 45.927 45.100 0.021 0.000 0.648 87 G HN 0.684 nan 8.290 nan 0.000 0.538 88 E N -0.533 119.700 120.200 0.054 0.000 2.422 88 E HA 0.461 4.811 4.350 -0.000 0.000 0.260 88 E C 0.429 177.047 176.600 0.031 0.000 1.108 88 E CA -0.612 55.826 56.400 0.064 0.000 0.943 88 E CB 0.340 30.115 29.700 0.125 0.000 0.961 88 E HN 0.353 nan 8.360 nan 0.000 0.443 89 L N 3.581 124.814 121.223 0.016 0.000 2.307 89 L HA 0.387 4.727 4.340 -0.000 0.000 0.282 89 L C -1.253 175.557 176.870 -0.101 0.000 1.051 89 L CA -0.695 54.128 54.840 -0.027 0.000 0.804 89 L CB 1.296 43.349 42.059 -0.009 0.000 1.197 89 L HN 0.318 nan 8.230 nan 0.000 0.431 90 V N 4.573 124.382 119.914 -0.174 0.000 2.540 90 V HA 0.466 4.586 4.120 -0.000 0.000 0.302 90 V C -0.499 175.487 176.094 -0.179 0.000 1.035 90 V CA -0.858 61.250 62.300 -0.320 0.000 0.873 90 V CB 1.887 33.379 31.823 -0.552 0.000 0.992 90 V HN 0.692 nan 8.190 nan 0.000 0.428 91 K N 3.305 123.620 120.400 -0.141 0.000 2.203 91 K HA 0.664 4.984 4.320 -0.000 0.000 0.251 91 K C -0.157 176.410 176.600 -0.056 0.000 0.944 91 K CA -0.887 55.358 56.287 -0.071 0.000 0.829 91 K CB 2.517 34.997 32.500 -0.034 0.000 1.125 91 K HN 0.531 nan 8.250 nan 0.000 0.430 92 R N -0.091 120.388 120.500 -0.034 0.000 2.828 92 R HA 0.187 4.527 4.340 -0.000 0.000 0.270 92 R C 0.520 176.820 176.300 -0.000 0.000 1.244 92 R CA 0.159 56.249 56.100 -0.017 0.000 1.143 92 R CB 0.365 30.657 30.300 -0.014 0.000 1.128 92 R HN 0.635 nan 8.270 nan 0.000 0.587 93 T N -1.698 112.861 114.554 0.008 0.000 3.051 93 T HA 0.170 4.520 4.350 -0.000 0.000 0.254 93 T C 0.888 175.593 174.700 0.009 0.000 0.916 93 T CA 0.311 62.418 62.100 0.012 0.000 0.894 93 T CB 0.972 69.853 68.868 0.021 0.000 1.251 93 T HN 0.841 nan 8.240 nan 0.000 0.517 94 G N 2.248 111.053 108.800 0.009 0.000 2.179 94 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.260 94 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.260 94 G C -0.180 174.726 174.900 0.010 0.000 0.977 94 G CA 0.135 45.239 45.100 0.007 0.000 0.641 94 G HN 0.543 nan 8.290 nan 0.000 0.533 95 N N -0.186 118.522 118.700 0.014 0.000 2.321 95 N HA 0.661 5.401 4.740 -0.000 0.000 0.299 95 N C -0.257 175.267 175.510 0.022 0.000 1.048 95 N CA -0.658 52.401 53.050 0.014 0.000 0.836 95 N CB 1.397 39.889 38.487 0.009 0.000 1.269 95 N HN 0.129 nan 8.380 nan 0.000 0.486 96 I N 1.278 121.861 120.570 0.021 0.000 2.588 96 I HA 0.034 4.204 4.170 -0.000 0.000 0.283 96 I C 0.177 176.308 176.117 0.024 0.000 1.119 96 I CA -0.430 60.887 61.300 0.029 0.000 1.419 96 I CB 0.469 38.483 38.000 0.023 0.000 1.394 96 I HN 0.256 nan 8.210 nan 0.000 0.562 97 V N 6.475 126.412 119.914 0.038 0.000 2.742 97 V HA -0.061 4.059 4.120 -0.000 0.000 0.302 97 V C 0.078 176.170 176.094 -0.005 0.000 1.133 97 V CA 0.549 62.859 62.300 0.017 0.000 1.284 97 V CB -0.984 30.871 31.823 0.053 0.000 0.850 97 V HN 0.941 nan 8.190 nan 0.000 0.494 98 D N 3.798 124.185 120.400 -0.022 0.000 2.579 98 D HA 0.724 5.364 4.640 -0.000 0.000 0.257 98 D C -0.674 175.608 176.300 -0.030 0.000 1.176 98 D CA -0.568 53.422 54.000 -0.016 0.000 0.914 98 D CB 2.171 42.968 40.800 -0.006 0.000 1.431 98 D HN 0.525 nan 8.370 nan 0.000 0.454 99 V N -4.720 115.183 119.914 -0.018 0.000 3.078 99 V HA 0.787 4.907 4.120 -0.000 0.000 0.311 99 V C -2.918 173.162 176.094 -0.023 0.000 1.138 99 V CA -2.282 60.002 62.300 -0.025 0.000 1.007 99 V CB 2.078 33.891 31.823 -0.017 0.000 1.045 99 V HN 0.583 nan 8.190 nan 0.000 0.432 100 P HA 0.400 nan 4.420 nan 0.000 0.287 100 P C -0.495 176.757 177.300 -0.081 0.000 1.281 100 P CA -0.052 63.015 63.100 -0.055 0.000 0.781 100 P CB 1.384 33.046 31.700 -0.063 0.000 0.903 101 V N 0.712 120.566 119.914 -0.100 0.000 2.815 101 V HA 1.039 5.159 4.120 -0.000 0.000 0.314 101 V C 0.086 175.907 176.094 -0.456 0.000 1.064 101 V CA -0.525 61.664 62.300 -0.186 0.000 0.952 101 V CB 1.307 33.115 31.823 -0.026 0.000 1.020 101 V HN 0.938 nan 8.190 nan 0.000 0.439 102 G N 2.844 111.102 108.800 -0.903 0.000 2.333 102 G HA2 0.288 4.248 3.960 -0.000 0.000 0.330 102 G HA3 0.288 4.248 3.960 -0.000 0.000 0.330 102 G C -2.842 171.373 174.900 -1.141 0.000 1.465 102 G CA -0.043 44.189 45.100 -1.446 0.000 0.996 102 G HN 0.533 nan 8.290 nan 0.000 0.655 103 P HA 0.032 nan 4.420 nan 0.000 0.223 103 P C 1.854 178.978 177.300 -0.293 0.000 1.144 103 P CA 1.550 64.282 63.100 -0.614 0.000 0.783 103 P CB 0.095 31.533 31.700 -0.437 0.000 0.771 104 G N -0.993 107.629 108.800 -0.296 0.000 2.807 104 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.207 104 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.207 104 G C 1.072 175.898 174.900 -0.122 0.000 1.151 104 G CA 0.229 45.231 45.100 -0.164 0.000 0.800 104 G HN 0.282 nan 8.290 nan 0.000 0.523 105 L N -0.526 120.617 121.223 -0.133 0.000 2.515 105 L HA 0.344 4.684 4.340 -0.000 0.000 0.223 105 L C 0.941 177.813 176.870 0.003 0.000 1.079 105 L CA -0.266 54.536 54.840 -0.064 0.000 0.857 105 L CB 0.069 42.084 42.059 -0.073 0.000 1.050 105 L HN 0.046 nan 8.230 nan 0.000 0.476 106 L N 1.142 122.385 121.223 0.034 0.000 2.559 106 L HA 0.067 4.407 4.340 -0.000 0.000 0.274 106 L C 1.354 178.253 176.870 0.049 0.000 1.205 106 L CA 0.877 55.775 54.840 0.097 0.000 0.907 106 L CB -0.059 42.105 42.059 0.174 0.000 1.153 106 L HN 0.407 nan 8.230 nan 0.000 0.490 107 G N 2.153 110.971 108.800 0.030 0.000 2.159 107 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.256 107 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.256 107 G C 0.143 175.040 174.900 -0.005 0.000 0.977 107 G CA -0.397 44.701 45.100 -0.004 0.000 0.652 107 G HN 0.479 nan 8.290 nan 0.000 0.531 108 R N -0.066 120.436 120.500 0.004 0.000 2.494 108 R HA 0.617 4.957 4.340 -0.000 0.000 0.305 108 R C -0.200 176.104 176.300 0.008 0.000 0.959 108 R CA -0.780 55.320 56.100 0.000 0.000 0.864 108 R CB 1.874 32.170 30.300 -0.007 0.000 1.159 108 R HN 0.165 nan 8.270 nan 0.000 0.446 109 V N 3.608 123.527 119.914 0.007 0.000 2.432 109 V HA 0.403 4.523 4.120 -0.000 0.000 0.275 109 V C 0.345 176.448 176.094 0.015 0.000 1.043 109 V CA -0.653 61.657 62.300 0.017 0.000 0.925 109 V CB 1.359 33.193 31.823 0.017 0.000 0.985 109 V HN 0.573 nan 8.190 nan 0.000 0.466 110 V N 1.320 121.247 119.914 0.020 0.000 2.876 110 V HA 0.708 4.828 4.120 -0.000 0.000 0.312 110 V C -0.465 175.642 176.094 0.021 0.000 1.085 110 V CA -1.039 61.269 62.300 0.013 0.000 0.945 110 V CB 1.991 33.816 31.823 0.003 0.000 1.017 110 V HN 0.793 nan 8.190 nan 0.000 0.428 111 D N 3.154 123.563 120.400 0.016 0.000 2.393 111 D HA 0.363 5.003 4.640 -0.000 0.000 0.246 111 D C 1.369 177.681 176.300 0.019 0.000 1.275 111 D CA 0.139 54.153 54.000 0.024 0.000 0.979 111 D CB 1.172 41.985 40.800 0.022 0.000 1.101 111 D HN 0.864 nan 8.370 nan 0.000 0.505 112 A N -0.360 122.480 122.820 0.033 0.000 2.084 112 A HA -0.117 4.203 4.320 -0.000 0.000 0.221 112 A C 2.268 179.847 177.584 -0.009 0.000 1.161 112 A CA 1.125 53.184 52.037 0.036 0.000 0.653 112 A CB -0.749 18.300 19.000 0.082 0.000 0.802 112 A HN 0.567 nan 8.150 nan 0.000 0.457 113 L N -2.193 119.000 121.223 -0.050 0.000 2.554 113 L HA 0.254 4.594 4.340 -0.000 0.000 0.225 113 L C 1.487 178.316 176.870 -0.069 0.000 1.104 113 L CA 0.577 55.353 54.840 -0.106 0.000 0.866 113 L CB 0.184 42.128 42.059 -0.192 0.000 1.047 113 L HN 0.570 nan 8.230 nan 0.000 0.468 114 G N 0.213 108.989 108.800 -0.040 0.000 2.145 114 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.176 114 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.176 114 G C -0.378 174.503 174.900 -0.032 0.000 1.013 114 G CA -0.578 44.502 45.100 -0.032 0.000 0.689 114 G HN 0.260 nan 8.290 nan 0.000 0.506 115 N N 1.720 120.403 118.700 -0.028 0.000 2.421 115 N HA 0.492 5.232 4.740 -0.000 0.000 0.285 115 N C -2.511 172.992 175.510 -0.012 0.000 1.027 115 N CA -1.499 51.538 53.050 -0.022 0.000 0.918 115 N CB 2.143 40.615 38.487 -0.023 0.000 1.152 115 N HN 0.122 nan 8.380 nan 0.000 0.485 116 P HA 0.066 nan 4.420 nan 0.000 0.265 116 P C 0.484 177.783 177.300 -0.001 0.000 1.193 116 P CA 0.129 63.225 63.100 -0.007 0.000 0.765 116 P CB 0.609 32.303 31.700 -0.010 0.000 0.823 117 I N -0.286 120.286 120.570 0.004 0.000 4.225 117 I HA 0.198 4.368 4.170 -0.000 0.000 0.327 117 I C 0.433 176.554 176.117 0.007 0.000 1.422 117 I CA -0.221 61.084 61.300 0.008 0.000 1.150 117 I CB 0.230 38.239 38.000 0.014 0.000 1.192 117 I HN 0.044 nan 8.210 nan 0.000 0.440 118 D N 1.315 121.717 120.400 0.003 0.000 2.349 118 D HA 0.116 4.756 4.640 -0.000 0.000 0.214 118 D C 1.347 177.646 176.300 -0.001 0.000 1.063 118 D CA 0.323 54.323 54.000 0.001 0.000 0.847 118 D CB 0.062 40.861 40.800 -0.001 0.000 0.933 118 D HN 0.405 nan 8.370 nan 0.000 0.513 119 G N 1.354 110.154 108.800 -0.001 0.000 2.359 119 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.298 119 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.298 119 G C 0.256 175.154 174.900 -0.004 0.000 1.030 119 G CA 0.222 45.321 45.100 -0.002 0.000 1.149 119 G HN 0.440 nan 8.290 nan 0.000 0.512 120 K N -0.020 120.376 120.400 -0.005 0.000 2.860 120 K HA 0.472 4.792 4.320 -0.000 0.000 0.204 120 K C 1.046 177.641 176.600 -0.009 0.000 1.127 120 K CA -0.041 56.242 56.287 -0.007 0.000 1.050 120 K CB 0.774 33.269 32.500 -0.008 0.000 0.745 120 K HN 1.712 nan 8.250 nan 0.000 0.459 121 G N 2.527 111.322 108.800 -0.008 0.000 2.819 121 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.682 121 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.682 121 G C -2.768 172.124 174.900 -0.013 0.000 1.481 121 G CA -1.219 43.875 45.100 -0.010 0.000 0.904 121 G HN -0.001 nan 8.290 nan 0.000 0.563 122 P HA 0.343 nan 4.420 nan 0.000 0.268 122 P C 0.665 177.949 177.300 -0.026 0.000 1.208 122 P CA -0.344 62.745 63.100 -0.020 0.000 0.777 122 P CB 0.434 32.123 31.700 -0.019 0.000 0.875 123 I N -1.160 119.390 120.570 -0.033 0.000 2.396 123 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 123 I C -0.573 175.511 176.117 -0.056 0.000 0.999 123 I CA -0.717 60.556 61.300 -0.046 0.000 1.310 123 I CB 0.614 38.583 38.000 -0.052 0.000 1.404 123 I HN 0.133 nan 8.210 nan 0.000 0.496 124 D N 6.086 126.447 120.400 -0.065 0.000 2.348 124 D HA 0.386 5.025 4.640 -0.000 0.000 0.259 124 D C 0.485 176.726 176.300 -0.098 0.000 1.296 124 D CA 0.283 54.241 54.000 -0.070 0.000 0.931 124 D CB 0.744 41.505 40.800 -0.066 0.000 1.067 124 D HN 0.753 nan 8.370 nan 0.000 0.503 125 A N 2.470 125.241 122.820 -0.082 0.000 2.484 125 A HA 0.421 4.741 4.320 -0.000 0.000 0.268 125 A C 1.114 178.645 177.584 -0.090 0.000 1.114 125 A CA -0.314 51.667 52.037 -0.094 0.000 0.780 125 A CB 0.321 19.283 19.000 -0.063 0.000 1.061 125 A HN 0.584 nan 8.150 nan 0.000 0.505 126 A N 2.775 125.516 122.820 -0.132 0.000 2.411 126 A HA 0.558 4.878 4.320 -0.000 0.000 0.251 126 A C 1.050 178.628 177.584 -0.010 0.000 1.317 126 A CA 0.704 52.692 52.037 -0.081 0.000 0.904 126 A CB -0.983 17.933 19.000 -0.140 0.000 0.993 126 A HN 2.554 nan 8.150 nan 0.000 0.504 127 G N -0.670 108.117 108.800 -0.021 0.000 2.347 127 G HA2 0.276 4.236 3.960 -0.000 0.000 0.477 127 G HA3 0.276 4.236 3.960 -0.000 0.000 0.477 127 G C -1.171 173.727 174.900 -0.003 0.000 1.349 127 G CA -1.191 43.915 45.100 0.010 0.000 1.000 127 G HN 0.420 nan 8.290 nan 0.000 0.605 128 R N -0.102 120.404 120.500 0.010 0.000 2.538 128 R HA 0.690 5.030 4.340 -0.000 0.000 0.292 128 R C -0.793 175.518 176.300 0.018 0.000 1.008 128 R CA -0.740 55.362 56.100 0.004 0.000 0.896 128 R CB 2.197 32.493 30.300 -0.007 0.000 1.187 128 R HN 0.502 nan 8.270 nan 0.000 0.440 129 S N 1.873 117.588 115.700 0.024 0.000 2.537 129 S HA 0.454 4.924 4.470 -0.000 0.000 0.301 129 S C -0.025 174.590 174.600 0.024 0.000 1.092 129 S CA -0.900 57.319 58.200 0.032 0.000 1.048 129 S CB 1.628 64.859 63.200 0.052 0.000 1.053 129 S HN 0.386 nan 8.310 nan 0.000 0.501 130 R N 0.639 121.153 120.500 0.023 0.000 2.827 130 R HA 0.196 4.536 4.340 -0.000 0.000 0.269 130 R C 1.368 177.682 176.300 0.023 0.000 1.048 130 R CA 0.169 56.279 56.100 0.016 0.000 1.173 130 R CB 0.108 30.416 30.300 0.014 0.000 1.070 130 R HN 0.775 nan 8.270 nan 0.000 0.498 131 A N 1.734 124.558 122.820 0.007 0.000 1.929 131 A HA -0.078 4.242 4.320 -0.000 0.000 0.216 131 A C 0.447 178.042 177.584 0.019 0.000 1.176 131 A CA 1.048 53.092 52.037 0.012 0.000 0.628 131 A CB 0.143 19.118 19.000 -0.042 0.000 0.816 131 A HN 0.519 nan 8.150 nan 0.000 0.444 132 Q N 0.643 120.420 119.800 -0.038 0.000 2.360 132 Q HA 0.472 4.812 4.340 -0.000 0.000 0.254 132 Q C -1.281 174.735 176.000 0.026 0.000 0.975 132 Q CA -0.022 55.760 55.803 -0.036 0.000 0.912 132 Q CB 1.407 30.083 28.738 -0.103 0.000 1.212 132 Q HN 0.182 nan 8.270 nan 0.000 0.452 133 V N 2.791 122.744 119.914 0.064 0.000 2.555 133 V HA 0.307 4.427 4.120 -0.000 0.000 0.302 133 V C 0.176 176.301 176.094 0.053 0.000 1.038 133 V CA -1.022 61.310 62.300 0.054 0.000 0.887 133 V CB 2.021 33.879 31.823 0.058 0.000 0.991 133 V HN 0.554 nan 8.190 nan 0.000 0.434 134 K N 3.371 123.798 120.400 0.045 0.000 2.378 134 K HA 0.465 4.785 4.320 -0.000 0.000 0.288 134 K C 0.494 177.117 176.600 0.039 0.000 1.057 134 K CA -0.015 56.300 56.287 0.047 0.000 0.971 134 K CB 0.838 33.365 32.500 0.045 0.000 0.975 134 K HN 0.866 nan 8.250 nan 0.000 0.475 135 A N 5.448 128.290 122.820 0.037 0.000 2.547 135 A HA 0.121 4.441 4.320 -0.000 0.000 0.233 135 A C -1.934 175.666 177.584 0.027 0.000 1.067 135 A CA -0.926 51.127 52.037 0.027 0.000 0.763 135 A CB -0.508 18.503 19.000 0.017 0.000 1.007 135 A HN 0.474 nan 8.150 nan 0.000 0.506 136 P HA 0.279 nan 4.420 nan 0.000 0.269 136 P C 0.651 177.964 177.300 0.022 0.000 1.209 136 P CA 0.492 63.604 63.100 0.020 0.000 0.776 136 P CB 0.552 32.263 31.700 0.018 0.000 0.876 137 G N 0.955 109.768 108.800 0.021 0.000 2.535 137 G HA2 0.182 4.142 3.960 -0.000 0.000 0.282 137 G HA3 0.182 4.142 3.960 -0.000 0.000 0.282 137 G C 0.881 175.793 174.900 0.020 0.000 1.350 137 G CA -0.532 44.581 45.100 0.022 0.000 1.039 137 G HN 0.337 nan 8.290 nan 0.000 0.509 138 I N -0.694 119.888 120.570 0.020 0.000 2.315 138 I HA -0.052 4.118 4.170 -0.000 0.000 0.248 138 I C 2.496 178.622 176.117 0.015 0.000 1.117 138 I CA 0.521 61.832 61.300 0.018 0.000 1.404 138 I CB -0.449 37.562 38.000 0.018 0.000 1.071 138 I HN 0.317 nan 8.210 nan 0.000 0.419 139 L N 1.416 122.646 121.223 0.013 0.000 1.988 139 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 139 L C -1.005 175.871 176.870 0.010 0.000 1.071 139 L CA 1.853 56.700 54.840 0.010 0.000 0.744 139 L CB -1.636 40.428 42.059 0.008 0.000 0.893 139 L HN 0.140 nan 8.230 nan 0.000 0.433 140 P HA 0.154 nan 4.420 nan 0.000 0.226 140 P C -1.080 176.229 177.300 0.015 0.000 1.783 140 P CA 0.375 63.480 63.100 0.009 0.000 0.980 140 P CB -0.144 31.559 31.700 0.006 0.000 1.967 141 R N 0.723 121.234 120.500 0.018 0.000 2.584 141 R HA 0.497 4.837 4.340 -0.000 0.000 0.276 141 R C -0.249 176.069 176.300 0.030 0.000 1.046 141 R CA -0.827 55.289 56.100 0.026 0.000 0.906 141 R CB 2.491 32.806 30.300 0.024 0.000 1.215 141 R HN 0.026 nan 8.270 nan 0.000 0.449 142 R N 0.578 121.106 120.500 0.045 0.000 2.732 142 R HA 0.435 4.775 4.340 -0.000 0.000 0.278 142 R C -0.555 175.788 176.300 0.072 0.000 0.976 142 R CA -0.787 55.346 56.100 0.056 0.000 0.963 142 R CB 2.253 32.602 30.300 0.082 0.000 1.150 142 R HN 0.583 nan 8.270 nan 0.000 0.478 143 S N 0.976 116.717 115.700 0.067 0.000 2.510 143 S HA 0.070 4.540 4.470 -0.000 0.000 0.279 143 S C 0.327 175.008 174.600 0.136 0.000 1.284 143 S CA -0.590 57.653 58.200 0.072 0.000 1.059 143 S CB 0.704 63.931 63.200 0.044 0.000 0.901 143 S HN 0.276 nan 8.310 nan 0.000 0.491 144 V N 5.945 125.907 119.914 0.080 0.000 2.506 144 V HA -0.036 4.084 4.120 -0.000 0.000 0.296 144 V C 1.538 177.672 176.094 0.067 0.000 1.004 144 V CA 0.668 62.991 62.300 0.038 0.000 1.150 144 V CB -0.810 31.005 31.823 -0.012 0.000 0.911 144 V HN 1.057 nan 8.190 nan 0.000 0.476 145 H N 1.968 121.013 119.070 -0.042 0.000 3.457 145 H HA 0.334 4.890 4.556 -0.000 0.000 0.255 145 H C 0.327 175.612 175.328 -0.071 0.000 1.082 145 H CA -0.414 55.606 56.048 -0.046 0.000 1.189 145 H CB 0.751 30.493 29.762 -0.035 0.000 1.511 145 H HN 0.612 nan 8.280 nan 0.000 0.527 146 E N 3.514 123.355 120.200 -0.599 0.000 2.283 146 E HA 0.310 4.660 4.350 -0.000 0.000 0.278 146 E C -2.604 173.813 176.600 -0.304 0.000 1.027 146 E CA -2.002 54.118 56.400 -0.467 0.000 0.843 146 E CB 1.575 30.910 29.700 -0.608 0.000 1.062 146 E HN 0.255 nan 8.360 nan 0.000 0.401 147 P HA 0.118 nan 4.420 nan 0.000 0.294 147 P C -0.920 176.216 177.300 -0.273 0.000 1.294 147 P CA -0.489 62.484 63.100 -0.212 0.000 0.827 147 P CB 0.963 32.564 31.700 -0.165 0.000 0.992 148 V N 4.624 124.408 119.914 -0.217 0.000 2.288 148 V HA 0.148 4.268 4.120 -0.000 0.000 0.266 148 V C 0.426 176.421 176.094 -0.166 0.000 1.048 148 V CA -0.302 61.863 62.300 -0.226 0.000 0.842 148 V CB 0.031 31.755 31.823 -0.165 0.000 1.064 148 V HN 0.485 nan 8.190 nan 0.000 0.472 149 Q N 2.243 121.920 119.800 -0.205 0.000 2.293 149 Q HA 0.159 4.499 4.340 -0.000 0.000 0.263 149 Q C 1.239 177.248 176.000 0.015 0.000 1.002 149 Q CA 0.197 55.961 55.803 -0.064 0.000 0.910 149 Q CB 0.934 29.678 28.738 0.010 0.000 1.185 149 Q HN 0.870 nan 8.270 nan 0.000 0.401 150 T N -0.997 113.569 114.554 0.020 0.000 3.081 150 T HA 0.181 4.531 4.350 -0.000 0.000 0.250 150 T C 1.412 176.141 174.700 0.049 0.000 1.100 150 T CA 0.401 62.517 62.100 0.028 0.000 1.038 150 T CB 0.157 69.028 68.868 0.006 0.000 0.962 150 T HN 0.881 nan 8.240 nan 0.000 0.516 151 G N 1.642 110.484 108.800 0.070 0.000 2.328 151 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 151 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 151 G C 0.077 175.000 174.900 0.038 0.000 1.014 151 G CA 0.304 45.444 45.100 0.066 0.000 0.620 151 G HN 0.640 nan 8.290 nan 0.000 0.530 152 L N 1.212 122.449 121.223 0.024 0.000 2.433 152 L HA 0.252 4.592 4.340 -0.000 0.000 0.275 152 L C 1.886 178.767 176.870 0.019 0.000 1.128 152 L CA -0.316 54.532 54.840 0.014 0.000 0.875 152 L CB 0.814 42.874 42.059 0.002 0.000 1.171 152 L HN 0.166 nan 8.230 nan 0.000 0.463 153 K N 2.915 123.327 120.400 0.020 0.000 2.000 153 K HA -0.261 4.059 4.320 -0.000 0.000 0.218 153 K C 2.017 178.628 176.600 0.019 0.000 1.053 153 K CA 1.917 58.217 56.287 0.022 0.000 0.946 153 K CB -0.223 32.290 32.500 0.021 0.000 0.723 153 K HN 0.814 nan 8.250 nan 0.000 0.446 154 A N 0.949 123.780 122.820 0.017 0.000 1.978 154 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 154 A C 2.385 179.981 177.584 0.020 0.000 1.170 154 A CA 1.533 53.581 52.037 0.020 0.000 0.636 154 A CB -0.583 18.429 19.000 0.020 0.000 0.810 154 A HN 0.111 nan 8.150 nan 0.000 0.448 155 V N 0.346 120.269 119.914 0.015 0.000 2.255 155 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 155 V C 2.074 178.175 176.094 0.011 0.000 1.038 155 V CA 2.156 64.464 62.300 0.013 0.000 1.008 155 V CB -0.723 31.104 31.823 0.007 0.000 0.645 155 V HN 0.477 nan 8.190 nan 0.000 0.449 156 D N 0.121 120.528 120.400 0.012 0.000 2.263 156 D HA -0.065 4.575 4.640 -0.000 0.000 0.208 156 D C 1.987 178.294 176.300 0.011 0.000 0.971 156 D CA 1.437 55.443 54.000 0.008 0.000 0.867 156 D CB -0.021 40.788 40.800 0.015 0.000 0.929 156 D HN 0.460 nan 8.370 nan 0.000 0.492 157 A N -0.060 122.769 122.820 0.016 0.000 1.887 157 A HA 0.077 4.397 4.320 -0.000 0.000 0.212 157 A C 2.213 179.809 177.584 0.020 0.000 1.198 157 A CA 0.430 52.478 52.037 0.018 0.000 0.628 157 A CB -0.236 18.776 19.000 0.019 0.000 0.847 157 A HN 0.154 nan 8.150 nan 0.000 0.449 158 L N -0.598 120.640 121.223 0.024 0.000 2.316 158 L HA 0.122 4.462 4.340 -0.000 0.000 0.207 158 L C 0.331 177.217 176.870 0.027 0.000 1.070 158 L CA 0.588 55.446 54.840 0.030 0.000 0.820 158 L CB 0.266 42.348 42.059 0.039 0.000 0.992 158 L HN 0.269 nan 8.230 nan 0.000 0.466 159 V N -2.425 117.502 119.914 0.021 0.000 2.464 159 V HA 0.404 4.524 4.120 -0.000 0.000 0.255 159 V C -2.682 173.416 176.094 0.007 0.000 0.946 159 V CA -1.780 60.530 62.300 0.017 0.000 0.988 159 V CB 0.013 31.850 31.823 0.023 0.000 1.210 159 V HN -0.084 nan 8.190 nan 0.000 0.523 160 P HA 0.270 nan 4.420 nan 0.000 0.267 160 P C -0.458 176.830 177.300 -0.021 0.000 1.200 160 P CA 0.313 63.406 63.100 -0.012 0.000 0.772 160 P CB 1.395 33.086 31.700 -0.014 0.000 0.855 161 I N 0.891 121.440 120.570 -0.036 0.000 2.607 161 I HA 0.616 4.786 4.170 -0.000 0.000 0.305 161 I C 1.016 177.089 176.117 -0.073 0.000 0.995 161 I CA -0.568 60.704 61.300 -0.046 0.000 1.148 161 I CB 1.140 39.114 38.000 -0.044 0.000 1.323 161 I HN 0.413 nan 8.210 nan 0.000 0.461 162 G N 3.548 112.302 108.800 -0.076 0.000 2.574 162 G HA2 0.545 4.505 3.960 -0.000 0.000 0.299 162 G HA3 0.545 4.505 3.960 -0.000 0.000 0.299 162 G C -0.748 174.081 174.900 -0.118 0.000 1.298 162 G CA -0.953 44.081 45.100 -0.109 0.000 0.952 162 G HN 0.487 nan 8.290 nan 0.000 0.477 163 R N 0.366 120.762 120.500 -0.174 0.000 2.399 163 R HA 0.399 4.739 4.340 -0.000 0.000 0.324 163 R C 1.259 177.505 176.300 -0.090 0.000 1.030 163 R CA 1.266 57.270 56.100 -0.159 0.000 0.984 163 R CB 0.485 30.617 30.300 -0.280 0.000 0.961 163 R HN 1.166 nan 8.270 nan 0.000 0.433 164 G N 1.873 110.649 108.800 -0.039 0.000 2.307 164 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.210 164 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.210 164 G C 0.255 175.150 174.900 -0.009 0.000 1.005 164 G CA -0.208 44.887 45.100 -0.009 0.000 0.634 164 G HN 0.573 nan 8.290 nan 0.000 0.496 165 Q N 0.639 120.424 119.800 -0.024 0.000 2.474 165 Q HA 0.539 4.879 4.340 -0.000 0.000 0.256 165 Q C 0.004 175.999 176.000 -0.008 0.000 1.048 165 Q CA 0.018 55.811 55.803 -0.017 0.000 0.922 165 Q CB 0.271 28.992 28.738 -0.027 0.000 1.288 165 Q HN 0.453 nan 8.270 nan 0.000 0.484 166 R N 2.481 122.977 120.500 -0.005 0.000 2.415 166 R HA 0.203 4.543 4.340 -0.000 0.000 0.292 166 R C -1.405 174.892 176.300 -0.005 0.000 1.295 166 R CA -0.475 55.625 56.100 -0.000 0.000 1.137 166 R CB 1.197 31.494 30.300 -0.005 0.000 1.135 166 R HN 0.458 nan 8.270 nan 0.000 0.560 167 E N 2.648 122.847 120.200 -0.002 0.000 2.115 167 E HA 0.165 4.515 4.350 -0.000 0.000 0.282 167 E C -1.124 175.477 176.600 0.001 0.000 0.987 167 E CA -0.779 55.620 56.400 -0.002 0.000 0.797 167 E CB 0.864 30.563 29.700 -0.003 0.000 1.086 167 E HN 0.296 nan 8.360 nan 0.000 0.397 168 L N 5.082 126.303 121.223 -0.004 0.000 2.349 168 L HA 0.393 4.733 4.340 -0.000 0.000 0.275 168 L C -0.930 175.947 176.870 0.011 0.000 1.115 168 L CA 0.000 54.835 54.840 -0.008 0.000 0.820 168 L CB 0.630 42.672 42.059 -0.029 0.000 1.135 168 L HN 0.575 nan 8.230 nan 0.000 0.445 169 I N 6.865 127.441 120.570 0.012 0.000 2.347 169 I HA 0.378 4.548 4.170 -0.000 0.000 0.283 169 I C -0.114 176.027 176.117 0.040 0.000 1.058 169 I CA 0.236 61.551 61.300 0.026 0.000 1.202 169 I CB 0.743 38.752 38.000 0.014 0.000 1.386 169 I HN 0.498 nan 8.210 nan 0.000 0.475 170 I N 4.937 125.562 120.570 0.091 0.000 2.460 170 I HA 0.926 5.096 4.170 -0.000 0.000 0.298 170 I C 0.166 176.443 176.117 0.267 0.000 0.989 170 I CA 0.032 61.416 61.300 0.141 0.000 1.173 170 I CB 1.516 39.584 38.000 0.113 0.000 1.338 170 I HN 0.632 nan 8.210 nan 0.000 0.456 171 G N 4.831 113.764 108.800 0.222 0.000 2.340 171 G HA2 0.138 4.098 3.960 -0.000 0.000 0.300 171 G HA3 0.138 4.098 3.960 -0.000 0.000 0.300 171 G C -1.934 173.020 174.900 0.089 0.000 1.488 171 G CA -0.863 44.339 45.100 0.170 0.000 0.878 171 G HN 0.543 nan 8.290 nan 0.000 0.618 172 D N 0.147 120.580 120.400 0.055 0.000 2.369 172 D HA 0.415 5.055 4.640 -0.000 0.000 0.241 172 D C 1.340 177.631 176.300 -0.015 0.000 1.271 172 D CA -0.061 53.961 54.000 0.036 0.000 0.942 172 D CB 0.420 41.245 40.800 0.041 0.000 1.129 172 D HN 0.698 nan 8.370 nan 0.000 0.476 173 R N 0.431 120.930 120.500 -0.003 0.000 2.734 173 R HA 0.051 4.391 4.340 -0.000 0.000 0.266 173 R C -0.240 176.019 176.300 -0.068 0.000 1.044 173 R CA -0.378 55.709 56.100 -0.020 0.000 1.128 173 R CB 0.038 30.342 30.300 0.007 0.000 1.010 173 R HN 0.168 nan 8.270 nan 0.000 0.461 174 Q N -0.261 119.483 119.800 -0.094 0.000 2.453 174 Q HA -0.162 4.178 4.340 -0.000 0.000 0.294 174 Q C 0.180 175.965 176.000 -0.357 0.000 1.295 174 Q CA 1.780 57.484 55.803 -0.164 0.000 0.853 174 Q CB -1.962 26.723 28.738 -0.088 0.000 1.193 174 Q HN 1.013 nan 8.270 nan 0.000 0.461 175 T N -5.214 109.119 114.554 -0.368 0.000 3.085 175 T HA 0.460 4.810 4.350 -0.000 0.000 0.264 175 T C 1.130 175.506 174.700 -0.540 0.000 1.019 175 T CA 0.672 62.434 62.100 -0.563 0.000 0.910 175 T CB 0.998 69.663 68.868 -0.339 0.000 1.059 175 T HN 0.889 nan 8.240 nan 0.000 0.542 176 G N 2.012 110.585 108.800 -0.380 0.000 2.130 176 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.216 176 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.216 176 G C 0.755 175.576 174.900 -0.132 0.000 0.999 176 G CA 0.304 45.266 45.100 -0.230 0.000 0.686 176 G HN 0.530 nan 8.290 nan 0.000 0.515 177 K N -0.381 119.951 120.400 -0.114 0.000 1.991 177 K HA -0.100 4.220 4.320 -0.000 0.000 0.212 177 K C 2.575 179.158 176.600 -0.028 0.000 1.049 177 K CA 1.971 58.223 56.287 -0.059 0.000 0.932 177 K CB -0.457 32.020 32.500 -0.037 0.000 0.717 177 K HN 0.348 nan 8.250 nan 0.000 0.441 178 T N 1.367 115.912 114.554 -0.013 0.000 2.759 178 T HA -0.162 4.188 4.350 -0.000 0.000 0.269 178 T C 2.050 176.737 174.700 -0.021 0.000 1.042 178 T CA 1.360 63.476 62.100 0.027 0.000 1.140 178 T CB -0.329 68.565 68.868 0.044 0.000 0.864 178 T HN 0.358 nan 8.240 nan 0.000 0.455 179 A N 1.054 123.833 122.820 -0.069 0.000 1.908 179 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 179 A C 2.593 180.105 177.584 -0.119 0.000 1.181 179 A CA 1.469 53.428 52.037 -0.130 0.000 0.627 179 A CB -1.016 17.900 19.000 -0.140 0.000 0.818 179 A HN 0.380 nan 8.150 nan 0.000 0.445 180 V N -0.393 119.478 119.914 -0.073 0.000 2.427 180 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 180 V C 2.990 179.065 176.094 -0.031 0.000 1.051 180 V CA 1.848 64.118 62.300 -0.051 0.000 1.048 180 V CB -1.106 30.698 31.823 -0.033 0.000 0.666 180 V HN 0.613 nan 8.190 nan 0.000 0.456 181 A N -0.339 122.477 122.820 -0.006 0.000 1.968 181 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 181 A C 2.113 179.712 177.584 0.025 0.000 1.169 181 A CA 1.704 53.759 52.037 0.030 0.000 0.638 181 A CB -0.416 18.634 19.000 0.083 0.000 0.812 181 A HN 0.447 nan 8.150 nan 0.000 0.446 182 L N 0.110 121.321 121.223 -0.021 0.000 2.044 182 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 182 L C 1.543 178.362 176.870 -0.085 0.000 1.075 182 L CA 2.466 57.263 54.840 -0.073 0.000 0.747 182 L CB -0.662 41.318 42.059 -0.131 0.000 0.903 182 L HN 0.289 nan 8.230 nan 0.000 0.435 183 D N -0.851 119.478 120.400 -0.118 0.000 2.149 183 D HA -0.177 4.463 4.640 -0.000 0.000 0.198 183 D C 2.061 178.343 176.300 -0.030 0.000 0.990 183 D CA 1.776 55.713 54.000 -0.105 0.000 0.839 183 D CB -0.320 40.408 40.800 -0.120 0.000 0.948 183 D HN 0.386 nan 8.370 nan 0.000 0.460 184 T N 0.361 114.907 114.554 -0.013 0.000 2.821 184 T HA -0.031 4.319 4.350 -0.000 0.000 0.267 184 T C 2.140 176.864 174.700 0.041 0.000 1.046 184 T CA 0.510 62.619 62.100 0.015 0.000 1.139 184 T CB -0.058 68.814 68.868 0.007 0.000 0.871 184 T HN 0.190 nan 8.240 nan 0.000 0.454 185 I N 0.586 121.183 120.570 0.045 0.000 2.286 185 I HA -0.064 4.106 4.170 -0.000 0.000 0.245 185 I C 2.225 178.432 176.117 0.150 0.000 1.104 185 I CA 1.011 62.371 61.300 0.100 0.000 1.397 185 I CB -0.362 37.689 38.000 0.085 0.000 1.072 185 I HN 0.183 nan 8.210 nan 0.000 0.417 186 L N 0.572 121.838 121.223 0.073 0.000 2.046 186 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 186 L C 2.298 179.237 176.870 0.116 0.000 1.077 186 L CA 1.409 56.297 54.840 0.079 0.000 0.747 186 L CB -0.819 41.210 42.059 -0.050 0.000 0.896 186 L HN 0.328 nan 8.230 nan 0.000 0.432 187 N N -0.159 118.596 118.700 0.092 0.000 2.272 187 N HA -0.200 4.540 4.740 -0.000 0.000 0.185 187 N C 1.795 177.408 175.510 0.172 0.000 1.014 187 N CA 0.979 54.096 53.050 0.111 0.000 0.870 187 N CB 0.045 38.608 38.487 0.126 0.000 0.975 187 N HN 0.248 nan 8.380 nan 0.000 0.433 188 Q N 0.244 120.139 119.800 0.159 0.000 2.437 188 Q HA -0.085 4.255 4.340 -0.000 0.000 0.210 188 Q C 1.610 177.604 176.000 -0.010 0.000 0.972 188 Q CA 0.482 56.366 55.803 0.136 0.000 0.903 188 Q CB -0.181 28.493 28.738 -0.107 0.000 0.967 188 Q HN 0.528 nan 8.270 nan 0.000 0.486 189 K N 1.332 121.735 120.400 0.005 0.000 2.160 189 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 189 K C 1.847 178.377 176.600 -0.116 0.000 1.047 189 K CA 1.046 57.330 56.287 -0.004 0.000 0.930 189 K CB 0.133 32.693 32.500 0.100 0.000 0.720 189 K HN 0.144 nan 8.250 nan 0.000 0.450 190 R N -0.324 120.016 120.500 -0.266 0.000 2.097 190 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 190 R C 2.276 178.292 176.300 -0.473 0.000 1.135 190 R CA 2.158 57.920 56.100 -0.564 0.000 0.934 190 R CB -0.436 29.115 30.300 -1.248 0.000 0.846 190 R HN 0.421 nan 8.270 nan 0.000 0.431 191 W N 0.479 121.710 121.300 -0.116 0.000 2.576 191 W HA 0.099 4.759 4.660 -0.000 0.000 0.275 191 W C 1.635 178.064 176.519 -0.150 0.000 1.241 191 W CA -0.226 57.050 57.345 -0.116 0.000 1.328 191 W CB -0.557 28.832 29.460 -0.119 0.000 1.092 191 W HN 0.148 nan 8.180 nan 0.000 0.586 192 N N 1.179 119.869 118.700 -0.017 0.000 2.166 192 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 192 N C 1.070 176.536 175.510 -0.073 0.000 1.019 192 N CA 1.071 54.015 53.050 -0.176 0.000 0.856 192 N CB -0.776 37.409 38.487 -0.504 0.000 0.993 192 N HN 0.100 nan 8.380 nan 0.000 0.426 193 N N 0.540 119.213 118.700 -0.045 0.000 2.609 193 N HA -0.012 4.728 4.740 -0.000 0.000 0.190 193 N C 0.974 176.480 175.510 -0.006 0.000 1.157 193 N CA 0.228 53.271 53.050 -0.011 0.000 0.918 193 N CB -0.179 38.296 38.487 -0.021 0.000 0.978 193 N HN 0.198 nan 8.380 nan 0.000 0.448 194 G N -0.949 107.852 108.800 0.001 0.000 2.525 194 G HA2 0.277 4.237 3.960 -0.000 0.000 0.287 194 G HA3 0.277 4.237 3.960 -0.000 0.000 0.287 194 G C 0.604 175.528 174.900 0.040 0.000 1.350 194 G CA -0.312 44.801 45.100 0.021 0.000 1.039 194 G HN 0.134 nan 8.290 nan 0.000 0.513 195 S N -1.141 114.588 115.700 0.048 0.000 2.497 195 S HA 0.078 4.548 4.470 -0.000 0.000 0.221 195 S C 0.466 175.106 174.600 0.067 0.000 1.037 195 S CA -0.042 58.190 58.200 0.054 0.000 0.920 195 S CB 0.238 63.464 63.200 0.043 0.000 0.800 195 S HN 0.596 nan 8.310 nan 0.000 0.505 196 D N 2.204 122.648 120.400 0.073 0.000 2.359 196 D HA 0.161 4.801 4.640 -0.000 0.000 0.250 196 D C 0.896 177.252 176.300 0.094 0.000 1.264 196 D CA 0.012 54.060 54.000 0.080 0.000 0.911 196 D CB 0.898 41.747 40.800 0.082 0.000 1.056 196 D HN 0.033 nan 8.370 nan 0.000 0.499 197 E N 1.869 122.130 120.200 0.102 0.000 2.153 197 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 197 E C 1.687 178.374 176.600 0.144 0.000 0.988 197 E CA 1.465 57.946 56.400 0.135 0.000 0.811 197 E CB 0.035 29.820 29.700 0.140 0.000 0.746 197 E HN 0.451 nan 8.360 nan 0.000 0.466 198 S N -0.441 115.334 115.700 0.124 0.000 2.447 198 S HA -0.100 4.370 4.470 -0.000 0.000 0.233 198 S C 1.655 176.371 174.600 0.195 0.000 1.006 198 S CA 0.909 59.212 58.200 0.171 0.000 0.957 198 S CB -0.104 63.174 63.200 0.131 0.000 0.773 198 S HN 0.187 nan 8.310 nan 0.000 0.507 199 K N 0.618 121.071 120.400 0.088 0.000 2.367 199 K HA 0.241 4.561 4.320 -0.000 0.000 0.194 199 K C 0.327 176.889 176.600 -0.064 0.000 1.027 199 K CA -0.047 56.216 56.287 -0.040 0.000 1.075 199 K CB 0.287 32.770 32.500 -0.027 0.000 0.845 199 K HN 0.329 nan 8.250 nan 0.000 0.529 200 K N 1.041 121.458 120.400 0.027 0.000 2.230 200 K HA 0.151 4.471 4.320 -0.000 0.000 0.253 200 K C -0.551 175.990 176.600 -0.097 0.000 1.008 200 K CA -0.128 56.115 56.287 -0.073 0.000 0.910 200 K CB 0.496 32.928 32.500 -0.115 0.000 0.994 200 K HN -0.153 nan 8.250 nan 0.000 0.495 201 L N 2.656 123.721 121.223 -0.264 0.000 2.573 201 L HA 0.240 4.580 4.340 -0.000 0.000 0.260 201 L C -1.736 174.964 176.870 -0.283 0.000 0.997 201 L CA -0.282 54.447 54.840 -0.185 0.000 0.890 201 L CB 0.538 42.486 42.059 -0.185 0.000 1.179 201 L HN 0.423 nan 8.230 nan 0.000 0.439 202 Y N 2.803 122.964 120.300 -0.231 0.000 2.442 202 Y HA 0.313 4.863 4.550 -0.000 0.000 0.330 202 Y C 0.741 176.509 175.900 -0.221 0.000 1.129 202 Y CA 0.172 58.101 58.100 -0.285 0.000 1.365 202 Y CB 0.563 38.570 38.460 -0.755 0.000 1.233 202 Y HN 0.485 nan 8.280 nan 0.000 0.529 203 C N 3.542 122.910 119.300 0.114 0.000 2.341 203 C HA 0.628 5.088 4.460 -0.000 0.000 0.338 203 C C -0.084 174.949 174.990 0.071 0.000 1.257 203 C CA -1.123 57.948 59.018 0.090 0.000 1.883 203 C CB 0.446 28.290 27.740 0.173 0.000 2.334 203 C HN 0.565 nan 8.230 nan 0.000 0.524 204 V N 3.754 123.685 119.914 0.029 0.000 2.325 204 V HA 0.208 4.328 4.120 -0.000 0.000 0.280 204 V C -0.784 175.309 176.094 -0.002 0.000 1.016 204 V CA -0.463 61.853 62.300 0.028 0.000 0.818 204 V CB 0.412 32.239 31.823 0.007 0.000 1.019 204 V HN 0.813 nan 8.190 nan 0.000 0.434 205 Y N 5.154 125.417 120.300 -0.062 0.000 2.327 205 Y HA 0.619 5.169 4.550 -0.000 0.000 0.336 205 Y C -0.097 175.762 175.900 -0.067 0.000 1.035 205 Y CA -0.277 57.778 58.100 -0.075 0.000 1.165 205 Y CB 1.404 39.837 38.460 -0.044 0.000 1.181 205 Y HN 0.409 nan 8.280 nan 0.000 0.494 206 V N 5.463 125.035 119.914 -0.570 0.000 2.532 206 V HA 0.726 4.846 4.120 -0.000 0.000 0.295 206 V C -0.267 175.573 176.094 -0.422 0.000 1.041 206 V CA -0.651 61.442 62.300 -0.345 0.000 0.926 206 V CB 1.361 33.035 31.823 -0.249 0.000 0.992 206 V HN 0.892 nan 8.190 nan 0.000 0.457 207 A N 4.351 127.118 122.820 -0.087 0.000 2.709 207 A HA 0.720 5.040 4.320 -0.000 0.000 0.332 207 A C -0.775 176.836 177.584 0.045 0.000 1.241 207 A CA -0.371 51.682 52.037 0.027 0.000 0.782 207 A CB 0.654 19.761 19.000 0.180 0.000 1.109 207 A HN 0.604 nan 8.150 nan 0.000 0.472 208 V N 1.560 121.494 119.914 0.033 0.000 2.427 208 V HA 0.656 4.776 4.120 -0.000 0.000 0.286 208 V C 1.433 177.573 176.094 0.076 0.000 1.034 208 V CA 0.816 63.156 62.300 0.067 0.000 0.893 208 V CB 0.945 32.816 31.823 0.080 0.000 0.982 208 V HN 1.706 nan 8.190 nan 0.000 0.452 209 G N 3.616 112.466 108.800 0.084 0.000 2.284 209 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 209 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 209 G C 0.358 175.301 174.900 0.071 0.000 0.997 209 G CA 0.524 45.671 45.100 0.080 0.000 0.621 209 G HN 0.660 nan 8.290 nan 0.000 0.534 210 Q N 0.740 120.584 119.800 0.074 0.000 2.535 210 Q HA 0.413 4.753 4.340 -0.000 0.000 0.228 210 Q C 0.762 176.801 176.000 0.065 0.000 1.062 210 Q CA 0.514 56.361 55.803 0.073 0.000 0.967 210 Q CB 0.360 29.154 28.738 0.093 0.000 1.273 210 Q HN 0.690 nan 8.270 nan 0.000 0.554 211 K N 0.115 120.550 120.400 0.058 0.000 2.098 211 K HA 0.278 4.598 4.320 -0.000 0.000 0.261 211 K C 0.306 176.935 176.600 0.049 0.000 0.987 211 K CA -0.627 55.689 56.287 0.049 0.000 0.916 211 K CB 1.134 33.659 32.500 0.041 0.000 1.039 211 K HN 0.397 nan 8.250 nan 0.000 0.455 212 R N 0.566 121.091 120.500 0.043 0.000 2.249 212 R HA -0.137 4.203 4.340 -0.000 0.000 0.230 212 R C 2.093 178.413 176.300 0.033 0.000 1.121 212 R CA 1.421 57.544 56.100 0.039 0.000 0.997 212 R CB -0.154 30.167 30.300 0.034 0.000 0.867 212 R HN 0.805 nan 8.270 nan 0.000 0.465 213 S N -0.558 115.161 115.700 0.031 0.000 2.362 213 S HA -0.085 4.385 4.470 -0.000 0.000 0.221 213 S C 1.736 176.351 174.600 0.026 0.000 1.032 213 S CA 1.432 59.647 58.200 0.025 0.000 0.973 213 S CB -0.006 63.209 63.200 0.024 0.000 0.849 213 S HN 0.261 nan 8.310 nan 0.000 0.465 214 T N 2.052 116.626 114.554 0.033 0.000 2.652 214 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 214 T C 1.832 176.549 174.700 0.028 0.000 1.039 214 T CA 1.701 63.822 62.100 0.034 0.000 1.153 214 T CB -0.584 68.312 68.868 0.047 0.000 0.863 214 T HN 0.279 nan 8.240 nan 0.000 0.428 215 V N 1.701 121.641 119.914 0.044 0.000 2.490 215 V HA -0.134 3.986 4.120 -0.000 0.000 0.250 215 V C 2.805 178.906 176.094 0.010 0.000 1.061 215 V CA 1.494 63.818 62.300 0.041 0.000 1.064 215 V CB -1.182 30.686 31.823 0.075 0.000 0.670 215 V HN 0.531 nan 8.190 nan 0.000 0.461 216 A N -0.339 122.489 122.820 0.014 0.000 2.014 216 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 216 A C 2.180 179.761 177.584 -0.004 0.000 1.163 216 A CA 1.713 53.753 52.037 0.005 0.000 0.652 216 A CB -0.357 18.649 19.000 0.010 0.000 0.808 216 A HN 0.539 nan 8.150 nan 0.000 0.449 217 Q N -0.740 119.058 119.800 -0.002 0.000 2.187 217 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 217 Q C 1.760 177.749 176.000 -0.018 0.000 0.957 217 Q CA 1.246 57.047 55.803 -0.004 0.000 0.857 217 Q CB -0.364 28.379 28.738 0.008 0.000 0.929 217 Q HN 0.509 nan 8.270 nan 0.000 0.453 218 L N -0.245 120.952 121.223 -0.043 0.000 2.005 218 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 218 L C 2.271 179.084 176.870 -0.094 0.000 1.072 218 L CA 1.830 56.610 54.840 -0.099 0.000 0.744 218 L CB -0.658 41.280 42.059 -0.200 0.000 0.895 218 L HN 0.323 nan 8.230 nan 0.000 0.433 219 V N -2.440 117.427 119.914 -0.078 0.000 2.568 219 V HA -0.312 3.808 4.120 -0.000 0.000 0.253 219 V C 2.264 178.332 176.094 -0.043 0.000 1.072 219 V CA 2.037 64.298 62.300 -0.064 0.000 1.084 219 V CB -1.161 30.636 31.823 -0.042 0.000 0.676 219 V HN 0.728 nan 8.190 nan 0.000 0.469 220 Q N 0.441 120.223 119.800 -0.030 0.000 2.079 220 Q HA -0.168 4.172 4.340 -0.000 0.000 0.200 220 Q C 2.292 178.287 176.000 -0.009 0.000 0.974 220 Q CA 2.453 58.244 55.803 -0.020 0.000 0.840 220 Q CB -0.194 28.534 28.738 -0.016 0.000 0.898 220 Q HN 0.738 nan 8.270 nan 0.000 0.430 221 T N 1.211 115.768 114.554 0.004 0.000 2.857 221 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 221 T C 1.836 176.603 174.700 0.111 0.000 1.048 221 T CA 0.664 62.798 62.100 0.058 0.000 1.139 221 T CB -0.127 68.779 68.868 0.063 0.000 0.874 221 T HN 0.209 nan 8.240 nan 0.000 0.455 222 L N 0.828 122.059 121.223 0.012 0.000 2.013 222 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 222 L C 2.771 179.639 176.870 -0.003 0.000 1.073 222 L CA 1.593 56.418 54.840 -0.025 0.000 0.753 222 L CB -0.464 41.532 42.059 -0.104 0.000 0.890 222 L HN 0.348 nan 8.230 nan 0.000 0.432 223 E N -0.607 119.582 120.200 -0.019 0.000 2.106 223 E HA -0.248 4.102 4.350 -0.000 0.000 0.192 223 E C 2.195 178.786 176.600 -0.014 0.000 0.984 223 E CA 0.926 57.309 56.400 -0.029 0.000 0.806 223 E CB -0.046 29.633 29.700 -0.035 0.000 0.750 223 E HN 0.559 nan 8.360 nan 0.000 0.458 224 Q N -0.247 119.550 119.800 -0.005 0.000 2.234 224 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 224 Q C 1.380 177.292 176.000 -0.145 0.000 0.980 224 Q CA 0.933 56.692 55.803 -0.074 0.000 0.869 224 Q CB 0.007 28.688 28.738 -0.095 0.000 0.912 224 Q HN 0.460 nan 8.270 nan 0.000 0.436 225 H N -0.664 118.376 119.070 -0.049 0.000 2.549 225 H HA 0.020 4.576 4.556 -0.000 0.000 0.279 225 H C -0.093 175.225 175.328 -0.017 0.000 1.018 225 H CA 0.216 56.250 56.048 -0.023 0.000 1.175 225 H CB 0.575 30.342 29.762 0.007 0.000 1.485 225 H HN 0.214 nan 8.280 nan 0.000 0.543 226 D N 0.703 121.129 120.400 0.044 0.000 2.772 226 D HA -0.190 4.450 4.640 -0.000 0.000 0.233 226 D C 0.772 177.060 176.300 -0.021 0.000 1.143 226 D CA 0.677 54.682 54.000 0.008 0.000 0.700 226 D CB -1.081 39.734 40.800 0.025 0.000 1.076 226 D HN 0.499 nan 8.370 nan 0.000 0.430 227 A N -0.759 122.001 122.820 -0.099 0.000 2.387 227 A HA 0.309 4.629 4.320 -0.000 0.000 0.234 227 A C 1.755 178.898 177.584 -0.735 0.000 1.253 227 A CA 0.585 52.395 52.037 -0.378 0.000 0.894 227 A CB 0.030 18.970 19.000 -0.101 0.000 0.963 227 A HN 0.307 nan 8.150 nan 0.000 0.508 228 M N 0.592 119.950 119.600 -0.404 0.000 2.435 228 M HA 0.060 4.540 4.480 -0.000 0.000 0.265 228 M C 1.838 177.970 176.300 -0.280 0.000 1.104 228 M CA 1.416 56.531 55.300 -0.307 0.000 1.140 228 M CB -0.282 32.229 32.600 -0.148 0.000 1.372 228 M HN 0.408 nan 8.290 nan 0.000 0.456 229 K N -0.140 120.112 120.400 -0.247 0.000 2.442 229 K HA -0.180 4.140 4.320 -0.000 0.000 0.199 229 K C 0.380 177.013 176.600 0.056 0.000 1.044 229 K CA 1.789 58.043 56.287 -0.055 0.000 0.941 229 K CB -0.653 31.867 32.500 0.033 0.000 0.759 229 K HN 0.649 nan 8.250 nan 0.000 0.472 230 Y N -1.904 118.430 120.300 0.058 0.000 2.610 230 Y HA 0.481 5.031 4.550 -0.000 0.000 0.254 230 Y C -0.147 175.812 175.900 0.099 0.000 1.110 230 Y CA -1.106 57.049 58.100 0.090 0.000 1.238 230 Y CB 0.307 38.712 38.460 -0.092 0.000 1.322 230 Y HN -0.138 nan 8.280 nan 0.000 0.547 231 S N 1.673 117.316 115.700 -0.094 0.000 2.608 231 S HA 0.710 5.180 4.470 -0.000 0.000 0.291 231 S C -0.540 174.085 174.600 0.043 0.000 1.146 231 S CA -0.564 57.628 58.200 -0.013 0.000 1.043 231 S CB 1.306 64.418 63.200 -0.147 0.000 1.037 231 S HN 0.265 nan 8.310 nan 0.000 0.520 232 I N 2.679 123.295 120.570 0.078 0.000 2.476 232 I HA 0.342 4.512 4.170 -0.000 0.000 0.281 232 I C -1.404 174.763 176.117 0.084 0.000 1.040 232 I CA -0.504 60.844 61.300 0.079 0.000 1.094 232 I CB 1.256 39.324 38.000 0.112 0.000 1.219 232 I HN 0.377 nan 8.210 nan 0.000 0.450 233 I N 7.298 127.912 120.570 0.074 0.000 2.291 233 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 233 I C 0.025 176.193 176.117 0.085 0.000 1.050 233 I CA -0.302 61.066 61.300 0.114 0.000 1.245 233 I CB 1.291 39.350 38.000 0.100 0.000 1.405 233 I HN 0.195 nan 8.210 nan 0.000 0.478 234 V N 6.687 126.647 119.914 0.076 0.000 2.334 234 V HA 0.676 4.796 4.120 -0.000 0.000 0.267 234 V C 0.481 176.610 176.094 0.059 0.000 1.040 234 V CA -0.541 61.790 62.300 0.051 0.000 0.866 234 V CB 0.837 32.679 31.823 0.032 0.000 1.019 234 V HN 0.775 nan 8.190 nan 0.000 0.468 235 A N 4.327 127.186 122.820 0.064 0.000 2.304 235 A HA 0.878 5.198 4.320 -0.000 0.000 0.323 235 A C 0.230 177.854 177.584 0.067 0.000 1.195 235 A CA -0.287 51.794 52.037 0.073 0.000 0.826 235 A CB 1.354 20.402 19.000 0.079 0.000 1.184 235 A HN 1.261 nan 8.150 nan 0.000 0.496 236 A N 2.897 125.761 122.820 0.073 0.000 3.030 236 A HA 0.571 4.891 4.320 -0.000 0.000 0.335 236 A C 0.565 178.198 177.584 0.082 0.000 1.089 236 A CA 0.118 52.204 52.037 0.082 0.000 0.807 236 A CB -0.694 18.364 19.000 0.097 0.000 1.099 236 A HN 1.336 nan 8.150 nan 0.000 0.474 237 T N -1.478 113.120 114.554 0.073 0.000 2.640 237 T HA 0.365 4.715 4.350 -0.000 0.000 0.316 237 T C 1.395 176.135 174.700 0.068 0.000 1.036 237 T CA 0.226 62.367 62.100 0.069 0.000 1.009 237 T CB 0.669 69.573 68.868 0.060 0.000 1.017 237 T HN 1.103 nan 8.240 nan 0.000 0.530 238 A N -0.176 122.680 122.820 0.061 0.000 2.239 238 A HA 0.151 4.471 4.320 -0.000 0.000 0.209 238 A C 2.427 180.041 177.584 0.049 0.000 1.171 238 A CA 1.075 53.146 52.037 0.057 0.000 0.768 238 A CB -1.000 18.032 19.000 0.052 0.000 0.790 238 A HN 0.835 nan 8.150 nan 0.000 0.478 239 S N -0.617 115.111 115.700 0.048 0.000 2.470 239 S HA 0.060 4.530 4.470 -0.000 0.000 0.222 239 S C 0.731 175.357 174.600 0.044 0.000 1.024 239 S CA -0.102 58.122 58.200 0.040 0.000 0.931 239 S CB -0.117 63.104 63.200 0.036 0.000 0.791 239 S HN 0.661 nan 8.310 nan 0.000 0.513 240 E N 1.254 121.488 120.200 0.057 0.000 2.371 240 E HA 0.498 4.848 4.350 -0.000 0.000 0.257 240 E C 0.112 176.755 176.600 0.071 0.000 1.134 240 E CA -0.236 56.205 56.400 0.068 0.000 0.919 240 E CB 0.647 30.397 29.700 0.084 0.000 1.025 240 E HN 0.442 nan 8.360 nan 0.000 0.438 241 A N 1.037 123.905 122.820 0.080 0.000 2.520 241 A HA 0.197 4.517 4.320 -0.000 0.000 0.235 241 A C 1.214 178.845 177.584 0.078 0.000 1.065 241 A CA 0.643 52.716 52.037 0.061 0.000 0.764 241 A CB 0.227 19.259 19.000 0.054 0.000 1.002 241 A HN 0.773 nan 8.150 nan 0.000 0.502 242 A N 2.895 125.742 122.820 0.045 0.000 1.892 242 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 242 A C -0.142 177.517 177.584 0.124 0.000 1.188 242 A CA 2.119 54.197 52.037 0.068 0.000 0.631 242 A CB -1.728 17.284 19.000 0.019 0.000 0.822 242 A HN 0.637 nan 8.150 nan 0.000 0.447 243 P HA -0.128 nan 4.420 nan 0.000 0.218 243 P C 1.414 178.908 177.300 0.324 0.000 1.148 243 P CA 0.821 64.011 63.100 0.150 0.000 0.822 243 P CB -0.142 31.429 31.700 -0.214 0.000 0.784 244 L N -0.895 120.505 121.223 0.295 0.000 2.056 244 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 244 L C 2.552 179.557 176.870 0.225 0.000 1.078 244 L CA 1.558 56.581 54.840 0.306 0.000 0.749 244 L CB -0.940 41.268 42.059 0.249 0.000 0.901 244 L HN 0.019 nan 8.230 nan 0.000 0.433 245 Q N -1.211 118.713 119.800 0.207 0.000 2.226 245 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 245 Q C 2.014 178.163 176.000 0.248 0.000 0.975 245 Q CA 1.592 57.510 55.803 0.191 0.000 0.866 245 Q CB -0.205 28.634 28.738 0.169 0.000 0.915 245 Q HN 0.503 nan 8.270 nan 0.000 0.440 246 Y N 0.641 121.046 120.300 0.174 0.000 2.263 246 Y HA -0.127 4.423 4.550 -0.000 0.000 0.292 246 Y C 1.583 177.639 175.900 0.260 0.000 1.130 246 Y CA 0.917 59.142 58.100 0.208 0.000 1.179 246 Y CB -0.024 38.560 38.460 0.207 0.000 0.998 246 Y HN -0.019 nan 8.280 nan 0.000 0.532 247 L N 0.344 121.558 121.223 -0.015 0.000 2.209 247 L HA 0.087 4.427 4.340 -0.000 0.000 0.207 247 L C 2.709 179.621 176.870 0.071 0.000 1.094 247 L CA 1.371 56.165 54.840 -0.076 0.000 0.790 247 L CB -1.394 40.701 42.059 0.060 0.000 0.932 247 L HN 0.297 nan 8.230 nan 0.000 0.447 248 A N 0.787 123.666 122.820 0.099 0.000 1.881 248 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 248 A C 0.033 177.670 177.584 0.089 0.000 1.215 248 A CA 2.457 54.547 52.037 0.090 0.000 0.648 248 A CB -2.106 16.950 19.000 0.092 0.000 0.832 248 A HN 0.311 nan 8.150 nan 0.000 0.455 249 P HA -0.104 nan 4.420 nan 0.000 0.216 249 P C 1.086 178.397 177.300 0.019 0.000 1.150 249 P CA 1.066 64.222 63.100 0.093 0.000 0.837 249 P CB -0.155 31.493 31.700 -0.087 0.000 0.786 250 F N 0.192 120.110 119.950 -0.052 0.000 2.074 250 F HA -0.169 4.358 4.527 -0.000 0.000 0.293 250 F C 2.600 178.386 175.800 -0.023 0.000 1.116 250 F CA 2.148 60.097 58.000 -0.085 0.000 1.212 250 F CB -1.777 37.096 39.000 -0.213 0.000 0.998 250 F HN -0.059 nan 8.300 nan 0.000 0.471 251 T N -1.519 113.135 114.554 0.166 0.000 2.759 251 T HA -0.215 4.135 4.350 -0.000 0.000 0.269 251 T C 2.060 176.810 174.700 0.082 0.000 1.042 251 T CA 1.122 63.278 62.100 0.094 0.000 1.140 251 T CB -0.996 67.902 68.868 0.050 0.000 0.864 251 T HN 0.209 nan 8.240 nan 0.000 0.455 252 A N 1.513 124.381 122.820 0.080 0.000 2.070 252 A HA 0.419 4.739 4.320 -0.000 0.000 0.220 252 A C 2.725 180.351 177.584 0.068 0.000 1.159 252 A CA 1.533 53.603 52.037 0.055 0.000 0.656 252 A CB -1.147 17.863 19.000 0.015 0.000 0.800 252 A HN 0.769 nan 8.150 nan 0.000 0.453 253 A N -0.716 122.171 122.820 0.111 0.000 1.929 253 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 253 A C 2.377 180.033 177.584 0.120 0.000 1.176 253 A CA 1.748 53.862 52.037 0.128 0.000 0.628 253 A CB -0.617 18.459 19.000 0.127 0.000 0.816 253 A HN 0.419 nan 8.150 nan 0.000 0.444 254 S N 0.128 115.895 115.700 0.112 0.000 2.402 254 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 254 S C 1.756 176.432 174.600 0.126 0.000 1.021 254 S CA 1.132 59.397 58.200 0.108 0.000 0.974 254 S CB -0.311 62.940 63.200 0.085 0.000 0.800 254 S HN 0.490 nan 8.310 nan 0.000 0.484 255 I N 1.676 122.314 120.570 0.114 0.000 2.286 255 I HA -0.110 4.060 4.170 -0.000 0.000 0.248 255 I C 2.531 178.810 176.117 0.270 0.000 1.115 255 I CA 1.485 62.861 61.300 0.128 0.000 1.392 255 I CB -1.948 36.113 38.000 0.102 0.000 1.065 255 I HN 0.351 nan 8.210 nan 0.000 0.418 256 G N -0.001 108.963 108.800 0.273 0.000 2.551 256 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.216 256 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.216 256 G C 1.538 176.667 174.900 0.381 0.000 1.137 256 G CA -0.029 45.304 45.100 0.389 0.000 0.798 256 G HN 0.399 nan 8.290 nan 0.000 0.536 257 E N -0.569 119.775 120.200 0.240 0.000 2.204 257 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 257 E C 1.856 178.541 176.600 0.142 0.000 0.989 257 E CA 0.309 56.807 56.400 0.164 0.000 0.824 257 E CB -0.144 29.622 29.700 0.110 0.000 0.756 257 E HN 0.658 nan 8.360 nan 0.000 0.477 258 W N 0.694 121.967 121.300 -0.046 0.000 2.335 258 W HA -0.254 4.405 4.660 -0.000 0.000 0.311 258 W C 1.479 177.855 176.519 -0.239 0.000 1.213 258 W CA 1.660 58.883 57.345 -0.205 0.000 1.274 258 W CB -0.341 28.891 29.460 -0.380 0.000 1.148 258 W HN -0.019 nan 8.180 nan 0.000 0.498 259 F N 0.339 120.442 119.950 0.255 0.000 2.102 259 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 259 F C 2.760 178.470 175.800 -0.150 0.000 1.105 259 F CA 2.163 60.177 58.000 0.024 0.000 1.239 259 F CB -1.383 37.701 39.000 0.140 0.000 0.991 259 F HN -0.187 nan 8.300 nan 0.000 0.474 260 R N 0.753 121.337 120.500 0.140 0.000 2.094 260 R HA -0.202 4.138 4.340 -0.000 0.000 0.239 260 R C 1.621 177.874 176.300 -0.079 0.000 1.137 260 R CA 2.295 58.417 56.100 0.036 0.000 0.943 260 R CB -0.532 29.809 30.300 0.068 0.000 0.850 260 R HN 0.205 nan 8.270 nan 0.000 0.433 261 D N 0.060 120.374 120.400 -0.144 0.000 2.269 261 D HA -0.066 4.574 4.640 -0.000 0.000 0.208 261 D C 0.238 176.359 176.300 -0.298 0.000 0.963 261 D CA 0.761 54.645 54.000 -0.194 0.000 0.864 261 D CB -0.134 40.552 40.800 -0.191 0.000 0.936 261 D HN 0.176 nan 8.370 nan 0.000 0.505 262 N N 0.218 118.645 118.700 -0.456 0.000 2.671 262 N HA 0.200 4.940 4.740 -0.000 0.000 0.303 262 N C 0.722 176.027 175.510 -0.342 0.000 1.351 262 N CA 0.004 52.741 53.050 -0.522 0.000 0.991 262 N CB 0.699 38.572 38.487 -1.023 0.000 1.307 262 N HN 0.046 nan 8.380 nan 0.000 0.512 263 G N 0.739 109.398 108.800 -0.235 0.000 2.296 263 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.282 263 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.282 263 G C 0.172 174.918 174.900 -0.255 0.000 1.014 263 G CA 0.785 45.766 45.100 -0.197 0.000 0.812 263 G HN 0.375 nan 8.290 nan 0.000 0.508 264 K N -0.572 119.683 120.400 -0.242 0.000 2.295 264 K HA 0.589 4.909 4.320 -0.000 0.000 0.239 264 K C -0.393 176.071 176.600 -0.227 0.000 0.991 264 K CA -1.038 55.136 56.287 -0.187 0.000 0.845 264 K CB 1.271 33.840 32.500 0.115 0.000 1.197 264 K HN 0.285 nan 8.250 nan 0.000 0.441 265 H N -0.054 119.107 119.070 0.152 0.000 2.457 265 H HA 0.603 5.159 4.556 -0.000 0.000 0.335 265 H C -0.864 174.498 175.328 0.056 0.000 1.115 265 H CA -0.740 55.352 56.048 0.073 0.000 1.219 265 H CB 1.922 31.681 29.762 -0.006 0.000 1.471 265 H HN 0.690 nan 8.280 nan 0.000 0.491 266 A N 3.195 126.089 122.820 0.124 0.000 2.486 266 A HA 0.520 4.840 4.320 -0.000 0.000 0.300 266 A C -1.278 176.304 177.584 -0.003 0.000 1.048 266 A CA -0.712 51.318 52.037 -0.012 0.000 0.696 266 A CB 1.811 20.775 19.000 -0.060 0.000 1.278 266 A HN 0.624 nan 8.150 nan 0.000 0.405 267 L N 3.059 124.261 121.223 -0.036 0.000 2.329 267 L HA 0.790 5.130 4.340 -0.000 0.000 0.279 267 L C -1.253 175.582 176.870 -0.058 0.000 1.014 267 L CA -0.799 54.018 54.840 -0.038 0.000 0.814 267 L CB 1.190 43.226 42.059 -0.038 0.000 1.257 267 L HN 0.716 nan 8.230 nan 0.000 0.424 268 I N 5.277 125.784 120.570 -0.105 0.000 2.498 268 I HA 0.421 4.591 4.170 -0.000 0.000 0.290 268 I C -1.342 174.572 176.117 -0.339 0.000 1.032 268 I CA -0.580 60.575 61.300 -0.241 0.000 1.073 268 I CB 2.271 40.068 38.000 -0.339 0.000 1.251 268 I HN 0.331 nan 8.210 nan 0.000 0.426 269 V N 8.529 128.215 119.914 -0.380 0.000 2.357 269 V HA 0.292 4.412 4.120 -0.000 0.000 0.284 269 V C -0.973 174.801 176.094 -0.533 0.000 1.018 269 V CA -0.536 61.556 62.300 -0.346 0.000 0.841 269 V CB 1.190 32.913 31.823 -0.167 0.000 0.991 269 V HN 0.486 nan 8.190 nan 0.000 0.437 270 Y N 2.897 123.082 120.300 -0.193 0.000 2.650 270 Y HA 0.449 4.999 4.550 -0.000 0.000 0.343 270 Y C 0.348 176.134 175.900 -0.191 0.000 1.078 270 Y CA -0.552 57.431 58.100 -0.196 0.000 1.356 270 Y CB 0.421 38.793 38.460 -0.147 0.000 1.204 270 Y HN 0.550 nan 8.280 nan 0.000 0.508 271 D N 2.529 122.828 120.400 -0.169 0.000 2.549 271 D HA 0.130 4.770 4.640 -0.000 0.000 0.251 271 D C -1.551 174.713 176.300 -0.059 0.000 1.153 271 D CA -0.448 53.482 54.000 -0.116 0.000 0.861 271 D CB 1.147 41.844 40.800 -0.172 0.000 1.207 271 D HN 0.430 nan 8.370 nan 0.000 0.543 272 D N 4.309 124.719 120.400 0.016 0.000 2.492 272 D HA 0.163 4.803 4.640 -0.000 0.000 0.248 272 D C 1.328 177.661 176.300 0.054 0.000 1.101 272 D CA -0.508 53.509 54.000 0.029 0.000 0.840 272 D CB 1.804 42.628 40.800 0.040 0.000 1.209 272 D HN 0.383 nan 8.370 nan 0.000 0.524 273 L N 2.295 123.540 121.223 0.037 0.000 2.353 273 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 273 L C 2.142 179.070 176.870 0.096 0.000 1.133 273 L CA 0.604 55.477 54.840 0.055 0.000 0.798 273 L CB -0.088 41.912 42.059 -0.098 0.000 0.922 273 L HN 0.322 nan 8.230 nan 0.000 0.445 274 S N -0.153 115.581 115.700 0.056 0.000 2.368 274 S HA -0.147 4.323 4.470 -0.000 0.000 0.224 274 S C 1.811 176.505 174.600 0.156 0.000 1.029 274 S CA 1.141 59.396 58.200 0.092 0.000 0.988 274 S CB -0.011 63.228 63.200 0.066 0.000 0.838 274 S HN 0.423 nan 8.310 nan 0.000 0.462 275 K N 1.043 121.522 120.400 0.131 0.000 2.366 275 K HA 0.016 4.336 4.320 -0.000 0.000 0.198 275 K C 2.253 178.954 176.600 0.168 0.000 1.044 275 K CA 0.396 56.766 56.287 0.138 0.000 0.973 275 K CB -0.019 32.544 32.500 0.105 0.000 0.767 275 K HN 0.383 nan 8.250 nan 0.000 0.475 276 Q N 0.966 120.878 119.800 0.187 0.000 2.033 276 Q HA -0.078 4.262 4.340 -0.000 0.000 0.196 276 Q C 2.092 178.256 176.000 0.273 0.000 0.970 276 Q CA 1.217 57.150 55.803 0.215 0.000 0.828 276 Q CB -0.079 28.769 28.738 0.184 0.000 0.895 276 Q HN 0.289 nan 8.270 nan 0.000 0.440 277 A N 0.275 123.279 122.820 0.307 0.000 2.024 277 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 277 A C 2.136 180.015 177.584 0.492 0.000 1.164 277 A CA 1.533 53.817 52.037 0.411 0.000 0.643 277 A CB -0.570 18.685 19.000 0.425 0.000 0.806 277 A HN 0.315 nan 8.150 nan 0.000 0.451 278 V N -0.467 119.661 119.914 0.356 0.000 2.323 278 V HA -0.183 3.937 4.120 -0.000 0.000 0.244 278 V C 3.027 179.192 176.094 0.118 0.000 1.041 278 V CA 1.778 64.191 62.300 0.190 0.000 1.025 278 V CB -1.262 30.648 31.823 0.146 0.000 0.656 278 V HN 0.591 nan 8.190 nan 0.000 0.451 279 A N -0.809 122.107 122.820 0.160 0.000 1.933 279 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 279 A C 2.183 179.843 177.584 0.127 0.000 1.175 279 A CA 2.030 54.147 52.037 0.133 0.000 0.628 279 A CB -0.796 18.310 19.000 0.176 0.000 0.814 279 A HN 0.636 nan 8.150 nan 0.000 0.444 280 Y N 0.364 120.702 120.300 0.063 0.000 2.293 280 Y HA -0.145 4.405 4.550 -0.000 0.000 0.291 280 Y C 2.414 178.286 175.900 -0.047 0.000 1.137 280 Y CA 1.803 59.882 58.100 -0.035 0.000 1.202 280 Y CB -0.298 38.184 38.460 0.037 0.000 0.990 280 Y HN 0.345 nan 8.280 nan 0.000 0.537 281 R N 0.145 120.625 120.500 -0.035 0.000 2.090 281 R HA -0.191 4.149 4.340 -0.000 0.000 0.228 281 R C 2.386 178.569 176.300 -0.194 0.000 1.110 281 R CA 1.588 57.588 56.100 -0.166 0.000 0.973 281 R CB -0.318 29.844 30.300 -0.231 0.000 0.869 281 R HN 0.517 nan 8.270 nan 0.000 0.440 282 Q N 0.220 119.941 119.800 -0.132 0.000 2.124 282 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 282 Q C 1.750 177.662 176.000 -0.147 0.000 0.977 282 Q CA 1.283 57.018 55.803 -0.114 0.000 0.850 282 Q CB 0.071 28.773 28.738 -0.060 0.000 0.901 282 Q HN 0.287 nan 8.270 nan 0.000 0.429 283 L N -0.116 120.986 121.223 -0.203 0.000 1.973 283 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 283 L C 2.486 179.204 176.870 -0.253 0.000 1.073 283 L CA 1.765 56.463 54.840 -0.236 0.000 0.746 283 L CB -0.844 41.025 42.059 -0.317 0.000 0.891 283 L HN 0.072 nan 8.230 nan 0.000 0.433 284 S N -0.585 114.901 115.700 -0.357 0.000 2.420 284 S HA -0.129 4.341 4.470 -0.000 0.000 0.237 284 S C 1.900 176.391 174.600 -0.182 0.000 1.023 284 S CA 1.108 59.134 58.200 -0.291 0.000 0.991 284 S CB -0.336 62.646 63.200 -0.365 0.000 0.792 284 S HN 0.287 nan 8.310 nan 0.000 0.488 285 L N 0.276 121.399 121.223 -0.167 0.000 2.270 285 L HA 0.094 4.434 4.340 -0.000 0.000 0.210 285 L C 1.848 178.661 176.870 -0.095 0.000 1.104 285 L CA 0.757 55.526 54.840 -0.117 0.000 0.804 285 L CB -0.376 41.615 42.059 -0.113 0.000 0.937 285 L HN 0.297 nan 8.230 nan 0.000 0.450 286 L N -0.569 120.592 121.223 -0.103 0.000 2.418 286 L HA -0.045 4.295 4.340 -0.000 0.000 0.218 286 L C 1.876 178.701 176.870 -0.075 0.000 1.125 286 L CA 0.423 55.214 54.840 -0.081 0.000 0.835 286 L CB 0.014 42.024 42.059 -0.082 0.000 0.953 286 L HN 0.251 nan 8.230 nan 0.000 0.454 287 L N -0.329 120.839 121.223 -0.092 0.000 2.629 287 L HA 0.136 4.476 4.340 -0.000 0.000 0.230 287 L C 0.615 177.446 176.870 -0.065 0.000 1.151 287 L CA 0.012 54.805 54.840 -0.077 0.000 0.924 287 L CB -0.144 41.858 42.059 -0.095 0.000 1.137 287 L HN 0.241 nan 8.230 nan 0.000 0.457 288 R N 0.192 120.653 120.500 -0.065 0.000 3.758 288 R HA -0.180 4.160 4.340 -0.000 0.000 0.299 288 R C -0.012 176.257 176.300 -0.052 0.000 1.182 288 R CA 0.517 56.586 56.100 -0.052 0.000 0.809 288 R CB -1.716 28.561 30.300 -0.037 0.000 1.249 288 R HN 0.421 nan 8.270 nan 0.000 0.497 289 R N 1.195 121.654 120.500 -0.068 0.000 2.340 289 R HA 0.187 4.527 4.340 -0.000 0.000 0.300 289 R C -2.103 174.164 176.300 -0.055 0.000 1.069 289 R CA -1.704 54.359 56.100 -0.061 0.000 0.984 289 R CB 0.439 30.690 30.300 -0.081 0.000 1.003 289 R HN -0.118 nan 8.270 nan 0.000 0.459 290 P HA 0.048 nan 4.420 nan 0.000 0.265 290 P C -2.332 174.954 177.300 -0.024 0.000 1.193 290 P CA -0.796 62.288 63.100 -0.028 0.000 0.765 290 P CB 0.158 31.848 31.700 -0.017 0.000 0.823 291 P HA 0.304 nan 4.420 nan 0.000 0.279 291 P C 0.453 177.755 177.300 0.005 0.000 1.252 291 P CA -0.268 62.825 63.100 -0.012 0.000 0.811 291 P CB 1.058 32.741 31.700 -0.029 0.000 1.035 292 G N 0.713 109.531 108.800 0.030 0.000 3.441 292 G HA2 0.214 4.174 3.960 -0.000 0.000 0.195 292 G HA3 0.214 4.174 3.960 -0.000 0.000 0.195 292 G C -0.462 174.426 174.900 -0.020 0.000 1.633 292 G CA -0.424 44.683 45.100 0.011 0.000 0.895 292 G HN 0.508 nan 8.290 nan 0.000 0.654 293 R N 0.972 121.417 120.500 -0.091 0.000 2.442 293 R HA 0.195 4.535 4.340 -0.000 0.000 0.291 293 R C -0.172 176.128 176.300 -0.001 0.000 1.069 293 R CA 0.425 56.426 56.100 -0.165 0.000 1.022 293 R CB -0.109 29.889 30.300 -0.504 0.000 0.976 293 R HN 0.669 nan 8.270 nan 0.000 0.443 294 E N 2.915 123.138 120.200 0.040 0.000 2.476 294 E HA -0.343 4.007 4.350 -0.000 0.000 0.251 294 E C 0.441 177.100 176.600 0.097 0.000 1.130 294 E CA 0.419 56.902 56.400 0.139 0.000 0.736 294 E CB -1.396 28.495 29.700 0.318 0.000 1.298 294 E HN 0.913 nan 8.360 nan 0.000 0.400 295 A N -2.099 120.734 122.820 0.022 0.000 4.284 295 A HA -0.346 3.974 4.320 -0.000 0.000 0.264 295 A C 0.399 177.950 177.584 -0.054 0.000 0.856 295 A CA 1.912 53.916 52.037 -0.055 0.000 1.165 295 A CB -1.859 17.064 19.000 -0.128 0.000 1.059 295 A HN 0.451 nan 8.150 nan 0.000 0.803 296 Y N 0.681 121.015 120.300 0.057 0.000 2.683 296 Y HA 0.344 4.894 4.550 -0.000 0.000 0.340 296 Y C -1.496 174.461 175.900 0.094 0.000 1.245 296 Y CA -0.586 57.582 58.100 0.114 0.000 1.485 296 Y CB -0.073 38.527 38.460 0.234 0.000 1.328 296 Y HN 0.218 nan 8.280 nan 0.000 0.603 297 P HA -0.014 nan 4.420 nan 0.000 0.269 297 P C 0.679 178.132 177.300 0.254 0.000 1.215 297 P CA 0.470 63.674 63.100 0.174 0.000 0.780 297 P CB 0.720 32.504 31.700 0.141 0.000 0.898 298 G N 1.823 110.729 108.800 0.178 0.000 2.422 298 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.218 298 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.218 298 G C 0.615 175.661 174.900 0.244 0.000 1.146 298 G CA 0.571 45.777 45.100 0.177 0.000 0.769 298 G HN 0.632 nan 8.290 nan 0.000 0.547 299 D N 0.714 121.279 120.400 0.276 0.000 2.434 299 D HA 0.074 4.714 4.640 -0.000 0.000 0.232 299 D C 1.786 178.307 176.300 0.368 0.000 1.166 299 D CA -0.340 53.852 54.000 0.322 0.000 0.830 299 D CB 0.258 41.231 40.800 0.289 0.000 0.960 299 D HN 0.128 nan 8.370 nan 0.000 0.497 300 V N -0.019 120.130 119.914 0.391 0.000 2.688 300 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 300 V C 1.677 177.892 176.094 0.202 0.000 1.084 300 V CA 1.248 63.743 62.300 0.326 0.000 1.103 300 V CB -0.847 31.212 31.823 0.394 0.000 0.688 300 V HN 0.241 nan 8.190 nan 0.000 0.480 301 F N 0.015 120.045 119.950 0.134 0.000 2.146 301 F HA -0.144 4.383 4.527 -0.000 0.000 0.298 301 F C 2.081 177.949 175.800 0.114 0.000 1.096 301 F CA 2.119 60.173 58.000 0.090 0.000 1.275 301 F CB -0.660 38.399 39.000 0.098 0.000 1.008 301 F HN 0.335 nan 8.300 nan 0.000 0.480 302 Y N 0.540 120.822 120.300 -0.032 0.000 2.333 302 Y HA -0.169 4.380 4.550 -0.000 0.000 0.290 302 Y C 2.115 177.904 175.900 -0.186 0.000 1.144 302 Y CA 1.389 59.410 58.100 -0.131 0.000 1.228 302 Y CB -0.729 37.755 38.460 0.041 0.000 0.985 302 Y HN 0.232 nan 8.280 nan 0.000 0.542 303 L N -0.250 120.818 121.223 -0.258 0.000 2.042 303 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 303 L C 1.809 178.355 176.870 -0.539 0.000 1.076 303 L CA 2.339 56.914 54.840 -0.441 0.000 0.749 303 L CB -0.751 40.906 42.059 -0.669 0.000 0.893 303 L HN 0.317 nan 8.230 nan 0.000 0.432 304 H N -2.296 116.553 119.070 -0.368 0.000 2.595 304 H HA 0.173 4.729 4.556 -0.000 0.000 0.265 304 H C 2.137 177.172 175.328 -0.489 0.000 0.953 304 H CA 0.542 56.329 56.048 -0.435 0.000 1.197 304 H CB 0.291 29.839 29.762 -0.357 0.000 1.438 304 H HN 0.281 nan 8.280 nan 0.000 0.531 305 S N 0.984 116.386 115.700 -0.497 0.000 2.335 305 S HA -0.176 4.294 4.470 -0.000 0.000 0.216 305 S C 2.129 176.527 174.600 -0.336 0.000 1.032 305 S CA 1.512 59.414 58.200 -0.496 0.000 1.000 305 S CB -0.118 62.739 63.200 -0.571 0.000 0.928 305 S HN 0.566 nan 8.310 nan 0.000 0.434 306 R N 1.108 121.356 120.500 -0.421 0.000 2.152 306 R HA 0.021 4.361 4.340 -0.000 0.000 0.232 306 R C 2.197 178.358 176.300 -0.231 0.000 1.117 306 R CA 1.022 56.940 56.100 -0.303 0.000 0.981 306 R CB -0.668 29.355 30.300 -0.462 0.000 0.870 306 R HN 0.328 nan 8.270 nan 0.000 0.451 307 L N 1.279 122.278 121.223 -0.373 0.000 2.005 307 L HA -0.027 4.313 4.340 -0.000 0.000 0.207 307 L C 2.075 178.719 176.870 -0.377 0.000 1.072 307 L CA 1.614 56.124 54.840 -0.549 0.000 0.744 307 L CB -0.296 41.199 42.059 -0.941 0.000 0.895 307 L HN 0.213 nan 8.230 nan 0.000 0.433 308 L N -0.835 120.191 121.223 -0.329 0.000 2.179 308 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 308 L C 2.508 179.315 176.870 -0.106 0.000 1.096 308 L CA 0.415 55.130 54.840 -0.208 0.000 0.779 308 L CB -0.601 41.340 42.059 -0.198 0.000 0.922 308 L HN 0.256 nan 8.230 nan 0.000 0.443 309 E N 0.649 120.784 120.200 -0.109 0.000 2.209 309 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 309 E C 2.187 178.773 176.600 -0.024 0.000 0.993 309 E CA 1.041 57.409 56.400 -0.052 0.000 0.819 309 E CB -0.091 29.583 29.700 -0.043 0.000 0.745 309 E HN 0.465 nan 8.360 nan 0.000 0.477 310 R N 0.393 120.876 120.500 -0.029 0.000 2.237 310 R HA 0.029 4.369 4.340 -0.000 0.000 0.219 310 R C 0.878 177.193 176.300 0.026 0.000 1.080 310 R CA 0.581 56.684 56.100 0.006 0.000 0.995 310 R CB -0.006 30.301 30.300 0.012 0.000 0.875 310 R HN -0.063 nan 8.270 nan 0.000 0.462 311 A N 1.075 123.909 122.820 0.024 0.000 2.347 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.287 311 A C -0.171 177.429 177.584 0.026 0.000 1.199 311 A CA 0.068 52.129 52.037 0.040 0.000 0.851 311 A CB 0.326 19.358 19.000 0.054 0.000 1.118 311 A HN 0.307 nan 8.150 nan 0.000 0.525 312 A N 2.515 125.354 122.820 0.032 0.000 2.493 312 A HA 0.775 5.095 4.320 -0.000 0.000 0.300 312 A C -0.904 176.701 177.584 0.035 0.000 1.152 312 A CA -0.682 51.372 52.037 0.027 0.000 0.643 312 A CB 0.815 19.830 19.000 0.025 0.000 1.316 312 A HN 0.907 nan 8.150 nan 0.000 0.469 313 K N 1.008 121.429 120.400 0.035 0.000 2.425 313 K HA 0.670 4.990 4.320 -0.000 0.000 0.259 313 K C -1.237 175.395 176.600 0.053 0.000 0.978 313 K CA -0.226 56.091 56.287 0.049 0.000 0.883 313 K CB 0.307 32.833 32.500 0.043 0.000 1.110 313 K HN 0.587 nan 8.250 nan 0.000 0.436 314 L N 2.907 124.161 121.223 0.052 0.000 2.464 314 L HA 0.258 4.598 4.340 -0.000 0.000 0.264 314 L C 0.755 177.652 176.870 0.044 0.000 1.199 314 L CA -0.410 54.451 54.840 0.035 0.000 0.818 314 L CB 1.060 43.127 42.059 0.014 0.000 1.102 314 L HN 0.888 nan 8.230 nan 0.000 0.473 315 S N 0.187 115.904 115.700 0.029 0.000 2.641 315 S HA 0.114 4.584 4.470 -0.000 0.000 0.261 315 S C 0.782 175.394 174.600 0.021 0.000 1.257 315 S CA -0.630 57.587 58.200 0.027 0.000 0.983 315 S CB 0.824 64.033 63.200 0.014 0.000 0.990 315 S HN 0.657 nan 8.310 nan 0.000 0.572 316 E N 0.423 120.633 120.200 0.017 0.000 2.110 316 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 316 E C 1.839 178.437 176.600 -0.002 0.000 0.988 316 E CA 1.048 57.454 56.400 0.010 0.000 0.804 316 E CB -0.194 29.509 29.700 0.005 0.000 0.745 316 E HN 0.725 nan 8.360 nan 0.000 0.458 317 K N 0.846 121.244 120.400 -0.004 0.000 2.360 317 K HA -0.140 4.179 4.320 -0.000 0.000 0.201 317 K C 1.123 177.713 176.600 -0.016 0.000 1.046 317 K CA 0.946 57.227 56.287 -0.010 0.000 0.945 317 K CB 0.311 32.807 32.500 -0.007 0.000 0.750 317 K HN -0.042 nan 8.250 nan 0.000 0.464 318 E N -0.996 119.194 120.200 -0.016 0.000 2.548 318 E HA 0.097 4.447 4.350 -0.000 0.000 0.206 318 E C 0.534 177.109 176.600 -0.041 0.000 1.005 318 E CA 0.485 56.868 56.400 -0.028 0.000 0.951 318 E CB 1.374 31.061 29.700 -0.021 0.000 1.035 318 E HN 0.498 nan 8.360 nan 0.000 0.470 319 G N 1.329 110.109 108.800 -0.033 0.000 2.176 319 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.232 319 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.232 319 G C 0.522 175.404 174.900 -0.031 0.000 0.986 319 G CA 0.228 45.300 45.100 -0.046 0.000 0.643 319 G HN 0.120 nan 8.290 nan 0.000 0.522 320 S N -0.967 114.735 115.700 0.005 0.000 3.587 320 S HA -0.117 4.353 4.470 -0.000 0.000 0.337 320 S C 1.543 176.174 174.600 0.052 0.000 1.119 320 S CA 1.498 59.733 58.200 0.058 0.000 0.976 320 S CB -1.453 61.805 63.200 0.097 0.000 0.922 320 S HN 2.157 nan 8.310 nan 0.000 0.503 321 G N 0.883 109.668 108.800 -0.023 0.000 2.651 321 G HA2 0.578 4.538 3.960 -0.000 0.000 0.260 321 G HA3 0.578 4.538 3.960 -0.000 0.000 0.260 321 G C -0.076 174.870 174.900 0.077 0.000 1.216 321 G CA 0.272 45.332 45.100 -0.067 0.000 0.913 321 G HN 1.322 nan 8.290 nan 0.000 0.535 322 S N -1.267 114.517 115.700 0.139 0.000 2.535 322 S HA 0.510 4.980 4.470 -0.000 0.000 0.272 322 S C -1.523 173.154 174.600 0.128 0.000 1.149 322 S CA -0.818 57.477 58.200 0.158 0.000 0.888 322 S CB 1.824 65.148 63.200 0.206 0.000 1.110 322 S HN 1.043 nan 8.310 nan 0.000 0.463 323 L N 2.472 123.745 121.223 0.084 0.000 2.377 323 L HA 0.655 4.994 4.340 -0.000 0.000 0.270 323 L C -0.457 176.437 176.870 0.041 0.000 0.991 323 L CA 0.232 55.115 54.840 0.073 0.000 0.851 323 L CB 1.455 43.565 42.059 0.084 0.000 1.218 323 L HN 0.917 nan 8.230 nan 0.000 0.420 324 T N 4.016 118.580 114.554 0.018 0.000 2.856 324 T HA 0.763 5.113 4.350 -0.000 0.000 0.292 324 T C -0.070 174.631 174.700 0.002 0.000 0.980 324 T CA -0.142 61.957 62.100 -0.003 0.000 1.091 324 T CB 1.254 70.102 68.868 -0.033 0.000 0.936 324 T HN 0.779 nan 8.240 nan 0.000 0.503 325 A N 3.067 125.900 122.820 0.021 0.000 2.331 325 A HA 0.717 5.037 4.320 -0.000 0.000 0.320 325 A C -0.293 177.315 177.584 0.041 0.000 1.138 325 A CA -0.703 51.371 52.037 0.061 0.000 0.790 325 A CB 0.521 19.609 19.000 0.146 0.000 1.206 325 A HN 0.875 nan 8.150 nan 0.000 0.470 326 L N 4.311 125.549 121.223 0.025 0.000 2.784 326 L HA 0.275 4.615 4.340 -0.000 0.000 0.241 326 L C -2.268 174.631 176.870 0.049 0.000 1.352 326 L CA -1.604 53.246 54.840 0.018 0.000 0.911 326 L CB 1.336 43.389 42.059 -0.010 0.000 1.227 326 L HN 0.485 nan 8.230 nan 0.000 0.501 327 P HA 0.018 nan 4.420 nan 0.000 0.266 327 P C -0.192 177.120 177.300 0.019 0.000 1.215 327 P CA 0.260 63.428 63.100 0.114 0.000 0.763 327 P CB 1.377 33.081 31.700 0.007 0.000 0.806 328 V N 6.156 126.078 119.914 0.014 0.000 2.539 328 V HA 0.427 4.547 4.120 -0.000 0.000 0.292 328 V C 0.704 176.785 176.094 -0.023 0.000 1.045 328 V CA -0.525 61.772 62.300 -0.003 0.000 0.945 328 V CB 1.535 33.360 31.823 0.002 0.000 0.993 328 V HN 0.515 nan 8.190 nan 0.000 0.464 329 I N 3.002 123.559 120.570 -0.021 0.000 2.619 329 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 329 I C -0.606 175.515 176.117 0.006 0.000 1.100 329 I CA -0.419 60.862 61.300 -0.031 0.000 1.043 329 I CB 2.112 40.062 38.000 -0.083 0.000 1.239 329 I HN 0.825 nan 8.210 nan 0.000 0.420 330 E N 5.673 125.884 120.200 0.017 0.000 2.166 330 E HA 0.469 4.819 4.350 -0.000 0.000 0.275 330 E C -1.015 175.612 176.600 0.046 0.000 0.941 330 E CA -0.494 55.928 56.400 0.036 0.000 0.784 330 E CB 1.370 31.093 29.700 0.038 0.000 1.115 330 E HN 0.653 nan 8.360 nan 0.000 0.399 331 T N 1.630 116.223 114.554 0.066 0.000 2.952 331 T HA 0.377 4.727 4.350 -0.000 0.000 0.286 331 T C -0.229 174.515 174.700 0.074 0.000 1.024 331 T CA -1.048 61.095 62.100 0.071 0.000 1.029 331 T CB 1.577 70.500 68.868 0.092 0.000 1.094 331 T HN 0.349 nan 8.240 nan 0.000 0.515 332 Q N 0.523 120.365 119.800 0.071 0.000 2.381 332 Q HA 0.485 4.825 4.340 -0.000 0.000 0.263 332 Q C 0.846 176.887 176.000 0.069 0.000 1.030 332 Q CA 0.028 55.871 55.803 0.068 0.000 0.772 332 Q CB 1.051 29.828 28.738 0.066 0.000 1.232 332 Q HN 1.347 nan 8.270 nan 0.000 0.476 333 G N 1.512 110.357 108.800 0.074 0.000 2.143 333 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.249 333 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.249 333 G C 0.708 175.666 174.900 0.097 0.000 0.981 333 G CA 0.315 45.460 45.100 0.074 0.000 0.665 333 G HN 1.259 nan 8.290 nan 0.000 0.528 334 G N -0.576 108.303 108.800 0.131 0.000 2.147 334 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.244 334 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.244 334 G C 0.082 175.050 174.900 0.114 0.000 1.005 334 G CA 0.980 46.204 45.100 0.208 0.000 0.713 334 G HN 1.532 nan 8.290 nan 0.000 0.515 335 D N 0.706 121.143 120.400 0.061 0.000 2.470 335 D HA 0.374 5.014 4.640 -0.000 0.000 0.226 335 D C 1.719 177.997 176.300 -0.036 0.000 1.196 335 D CA 0.241 54.248 54.000 0.012 0.000 0.979 335 D CB 0.407 41.222 40.800 0.026 0.000 1.059 335 D HN 0.624 nan 8.370 nan 0.000 0.515 336 V N 1.062 120.903 119.914 -0.123 0.000 3.636 336 V HA 0.145 4.265 4.120 -0.000 0.000 0.279 336 V C 0.940 176.956 176.094 -0.130 0.000 1.263 336 V CA 0.223 62.406 62.300 -0.194 0.000 1.182 336 V CB -0.298 31.267 31.823 -0.430 0.000 0.955 336 V HN 0.306 nan 8.190 nan 0.000 0.443 337 S N 0.669 116.325 115.700 -0.074 0.000 2.593 337 S HA 0.652 5.122 4.470 -0.000 0.000 0.236 337 S C 1.001 175.596 174.600 -0.007 0.000 0.991 337 S CA 0.247 58.421 58.200 -0.043 0.000 0.963 337 S CB 0.411 63.593 63.200 -0.031 0.000 0.865 337 S HN 0.843 nan 8.310 nan 0.000 0.488 338 A N 0.582 123.400 122.820 -0.004 0.000 2.386 338 A HA 0.447 4.767 4.320 -0.000 0.000 0.248 338 A C 0.831 178.443 177.584 0.046 0.000 1.082 338 A CA -0.279 51.780 52.037 0.037 0.000 0.789 338 A CB -0.051 18.971 19.000 0.037 0.000 1.025 338 A HN 0.401 nan 8.150 nan 0.000 0.490 339 Y N 2.054 122.337 120.300 -0.028 0.000 2.102 339 Y HA -0.292 4.258 4.550 -0.000 0.000 0.280 339 Y C 1.518 177.380 175.900 -0.064 0.000 1.178 339 Y CA 2.677 60.754 58.100 -0.039 0.000 1.146 339 Y CB -0.450 37.992 38.460 -0.029 0.000 0.968 339 Y HN 0.565 nan 8.280 nan 0.000 0.504 340 I N 0.226 120.644 120.570 -0.252 0.000 2.133 340 I HA -0.154 4.016 4.170 -0.000 0.000 0.238 340 I C -0.582 175.376 176.117 -0.265 0.000 1.074 340 I CA 1.281 62.357 61.300 -0.373 0.000 1.342 340 I CB -2.167 35.666 38.000 -0.278 0.000 1.053 340 I HN 0.089 nan 8.210 nan 0.000 0.404 341 P HA -0.130 nan 4.420 nan 0.000 0.216 341 P C 1.628 178.844 177.300 -0.141 0.000 1.150 341 P CA 1.685 64.701 63.100 -0.139 0.000 0.837 341 P CB -0.284 31.361 31.700 -0.092 0.000 0.786 342 T N -0.759 113.714 114.554 -0.135 0.000 2.746 342 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 342 T C 1.651 176.289 174.700 -0.103 0.000 1.039 342 T CA 1.467 63.502 62.100 -0.108 0.000 1.142 342 T CB -0.958 67.862 68.868 -0.080 0.000 0.866 342 T HN 0.110 nan 8.240 nan 0.000 0.444 343 N N 0.962 119.565 118.700 -0.160 0.000 2.036 343 N HA -0.095 4.645 4.740 -0.000 0.000 0.195 343 N C 1.975 177.488 175.510 0.005 0.000 1.037 343 N CA 1.012 54.037 53.050 -0.042 0.000 0.855 343 N CB -0.857 37.568 38.487 -0.104 0.000 1.033 343 N HN 0.242 nan 8.380 nan 0.000 0.423 344 V N 1.565 121.403 119.914 -0.126 0.000 2.307 344 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 344 V C 2.277 178.310 176.094 -0.102 0.000 1.045 344 V CA 1.158 63.353 62.300 -0.176 0.000 1.024 344 V CB -0.514 31.133 31.823 -0.293 0.000 0.651 344 V HN 0.235 nan 8.190 nan 0.000 0.449 345 I N 1.630 122.148 120.570 -0.086 0.000 2.194 345 I HA -0.280 3.890 4.170 -0.000 0.000 0.246 345 I C 2.649 178.749 176.117 -0.027 0.000 1.093 345 I CA 2.044 63.308 61.300 -0.060 0.000 1.355 345 I CB -0.569 37.391 38.000 -0.068 0.000 1.046 345 I HN 0.510 nan 8.210 nan 0.000 0.413 346 S N 0.677 116.377 115.700 -0.000 0.000 2.474 346 S HA -0.039 4.431 4.470 -0.000 0.000 0.235 346 S C 1.807 176.444 174.600 0.062 0.000 0.997 346 S CA 0.689 58.911 58.200 0.037 0.000 0.949 346 S CB -0.586 62.651 63.200 0.062 0.000 0.766 346 S HN 0.469 nan 8.310 nan 0.000 0.517 347 I N 2.116 122.710 120.570 0.041 0.000 2.429 347 I HA -0.011 4.159 4.170 -0.000 0.000 0.247 347 I C 1.898 178.006 176.117 -0.015 0.000 1.099 347 I CA 0.818 62.124 61.300 0.011 0.000 1.422 347 I CB -1.113 36.846 38.000 -0.068 0.000 1.112 347 I HN 0.391 nan 8.210 nan 0.000 0.430 348 T N -1.038 113.497 114.554 -0.032 0.000 2.667 348 T HA 0.014 4.364 4.350 -0.000 0.000 0.305 348 T C 0.303 174.996 174.700 -0.012 0.000 1.022 348 T CA -0.262 61.821 62.100 -0.028 0.000 0.995 348 T CB 0.496 69.343 68.868 -0.035 0.000 1.026 348 T HN 0.090 nan 8.240 nan 0.000 0.527 349 D N 0.604 120.999 120.400 -0.009 0.000 2.895 349 D HA 0.461 5.101 4.640 -0.000 0.000 0.258 349 D C 0.866 177.165 176.300 -0.002 0.000 1.311 349 D CA 0.238 54.236 54.000 -0.003 0.000 0.843 349 D CB -0.242 40.556 40.800 -0.002 0.000 1.055 349 D HN 1.042 nan 8.370 nan 0.000 0.486 350 G N 0.974 109.772 108.800 -0.004 0.000 2.381 350 G HA2 0.129 4.089 3.960 -0.000 0.000 0.672 350 G HA3 0.129 4.089 3.960 -0.000 0.000 0.672 350 G C -1.605 173.296 174.900 0.000 0.000 1.324 350 G CA -1.063 44.037 45.100 0.000 0.000 0.975 350 G HN 0.128 nan 8.290 nan 0.000 0.593 351 Q N -1.256 118.551 119.800 0.011 0.000 2.462 351 Q HA 0.775 5.115 4.340 -0.000 0.000 0.285 351 Q C -0.617 175.414 176.000 0.052 0.000 1.035 351 Q CA -0.714 55.102 55.803 0.023 0.000 0.799 351 Q CB 2.140 30.886 28.738 0.012 0.000 1.452 351 Q HN 0.739 nan 8.270 nan 0.000 0.404 352 I N 1.920 122.530 120.570 0.067 0.000 2.354 352 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 352 I C -1.140 175.071 176.117 0.157 0.000 1.007 352 I CA -0.761 60.591 61.300 0.087 0.000 1.167 352 I CB 0.661 38.688 38.000 0.046 0.000 1.320 352 I HN 0.511 nan 8.210 nan 0.000 0.458 353 F N 8.032 127.980 119.950 -0.003 0.000 2.404 353 F HA 0.568 5.095 4.527 -0.000 0.000 0.339 353 F C -0.873 174.929 175.800 0.004 0.000 1.105 353 F CA -0.966 57.033 58.000 -0.002 0.000 1.087 353 F CB 0.931 39.932 39.000 0.001 0.000 1.143 353 F HN 0.192 nan 8.300 nan 0.000 0.491 354 L N 6.098 126.961 121.223 -0.600 0.000 2.316 354 L HA 0.387 4.727 4.340 -0.000 0.000 0.280 354 L C -0.311 176.061 176.870 -0.829 0.000 1.006 354 L CA -0.564 53.949 54.840 -0.546 0.000 0.836 354 L CB 1.456 43.355 42.059 -0.268 0.000 1.221 354 L HN 0.561 nan 8.230 nan 0.000 0.418 355 E N 1.361 121.167 120.200 -0.658 0.000 2.283 355 E HA 0.264 4.614 4.350 -0.000 0.000 0.278 355 E C 0.524 177.036 176.600 -0.147 0.000 1.027 355 E CA -0.167 55.974 56.400 -0.433 0.000 0.843 355 E CB 2.092 31.654 29.700 -0.229 0.000 1.062 355 E HN 0.741 nan 8.360 nan 0.000 0.401 356 A N 3.572 126.360 122.820 -0.052 0.000 1.969 356 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 356 A C 1.915 179.651 177.584 0.254 0.000 1.169 356 A CA 1.481 53.578 52.037 0.100 0.000 0.635 356 A CB -0.199 18.888 19.000 0.146 0.000 0.810 356 A HN 0.801 nan 8.150 nan 0.000 0.445 357 E N -0.001 120.293 120.200 0.158 0.000 2.028 357 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 357 E C 1.903 178.596 176.600 0.154 0.000 0.988 357 E CA 1.100 57.600 56.400 0.166 0.000 0.799 357 E CB -0.222 29.536 29.700 0.097 0.000 0.755 357 E HN 0.599 nan 8.360 nan 0.000 0.447 358 L N 0.231 121.506 121.223 0.087 0.000 2.079 358 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 358 L C 2.476 179.381 176.870 0.059 0.000 1.081 358 L CA 0.940 55.814 54.840 0.058 0.000 0.752 358 L CB -0.442 41.631 42.059 0.022 0.000 0.896 358 L HN 0.252 nan 8.230 nan 0.000 0.433 359 F N -0.078 119.813 119.950 -0.098 0.000 2.134 359 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 359 F C 2.061 177.715 175.800 -0.244 0.000 1.097 359 F CA 1.569 59.439 58.000 -0.217 0.000 1.264 359 F CB -0.250 38.536 39.000 -0.357 0.000 1.001 359 F HN -0.017 nan 8.300 nan 0.000 0.479 360 Y N -0.249 120.072 120.300 0.035 0.000 2.546 360 Y HA 0.058 4.608 4.550 -0.000 0.000 0.287 360 Y C 2.123 177.980 175.900 -0.071 0.000 1.158 360 Y CA 0.601 58.674 58.100 -0.045 0.000 1.307 360 Y CB -0.479 38.012 38.460 0.052 0.000 1.036 360 Y HN 0.013 nan 8.280 nan 0.000 0.532 361 K N -0.269 120.166 120.400 0.058 0.000 2.459 361 K HA 0.116 4.436 4.320 -0.000 0.000 0.193 361 K C 1.278 177.859 176.600 -0.032 0.000 1.030 361 K CA 0.873 57.175 56.287 0.025 0.000 1.026 361 K CB -0.066 32.454 32.500 0.033 0.000 0.809 361 K HN 0.396 nan 8.250 nan 0.000 0.504 362 G N 0.760 109.493 108.800 -0.112 0.000 2.201 362 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.212 362 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.212 362 G C 0.088 174.904 174.900 -0.140 0.000 0.994 362 G CA -0.179 44.837 45.100 -0.140 0.000 0.644 362 G HN 0.203 nan 8.290 nan 0.000 0.508 363 I N 2.103 122.608 120.570 -0.107 0.000 2.347 363 I HA 0.395 4.565 4.170 -0.000 0.000 0.294 363 I C 0.525 176.599 176.117 -0.072 0.000 1.090 363 I CA 0.052 61.315 61.300 -0.061 0.000 1.314 363 I CB 0.440 38.434 38.000 -0.011 0.000 1.423 363 I HN 0.065 nan 8.210 nan 0.000 0.503 364 R N 7.703 128.165 120.500 -0.064 0.000 2.538 364 R HA 0.397 4.737 4.340 -0.000 0.000 0.292 364 R C -2.704 173.594 176.300 -0.003 0.000 1.008 364 R CA -1.813 54.275 56.100 -0.021 0.000 0.896 364 R CB 2.067 32.324 30.300 -0.072 0.000 1.187 364 R HN 0.283 nan 8.270 nan 0.000 0.440 365 P HA -0.004 nan 4.420 nan 0.000 0.268 365 P C -0.429 176.891 177.300 0.033 0.000 1.204 365 P CA -0.100 63.019 63.100 0.032 0.000 0.768 365 P CB 0.924 32.629 31.700 0.009 0.000 0.842 366 A N 5.297 128.154 122.820 0.061 0.000 3.077 366 A HA 0.216 4.536 4.320 -0.000 0.000 0.255 366 A C 0.736 178.298 177.584 -0.037 0.000 1.728 366 A CA -0.418 51.638 52.037 0.032 0.000 1.383 366 A CB -1.363 17.693 19.000 0.094 0.000 1.097 366 A HN 0.481 nan 8.150 nan 0.000 0.634 367 I N 0.797 121.359 120.570 -0.013 0.000 2.441 367 I HA 0.030 4.200 4.170 -0.000 0.000 0.287 367 I C 0.504 176.628 176.117 0.012 0.000 1.049 367 I CA -0.316 60.979 61.300 -0.008 0.000 1.381 367 I CB 0.927 38.939 38.000 0.020 0.000 1.409 367 I HN 0.472 nan 8.210 nan 0.000 0.523 368 N N 5.776 124.492 118.700 0.027 0.000 2.719 368 N HA 0.147 4.887 4.740 -0.000 0.000 0.243 368 N C 0.875 176.455 175.510 0.117 0.000 1.104 368 N CA -0.232 52.872 53.050 0.090 0.000 0.981 368 N CB 0.743 39.338 38.487 0.180 0.000 1.290 368 N HN 0.442 nan 8.380 nan 0.000 0.513 369 V N 2.462 122.428 119.914 0.087 0.000 2.313 369 V HA -0.307 3.813 4.120 -0.000 0.000 0.253 369 V C 2.322 178.464 176.094 0.079 0.000 1.070 369 V CA 2.354 64.702 62.300 0.081 0.000 1.057 369 V CB -1.148 30.723 31.823 0.080 0.000 0.653 369 V HN 0.764 nan 8.190 nan 0.000 0.450 370 G N -0.957 107.891 108.800 0.080 0.000 2.448 370 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.219 370 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.219 370 G C 1.421 176.358 174.900 0.062 0.000 1.127 370 G CA 0.741 45.878 45.100 0.062 0.000 0.766 370 G HN 0.529 nan 8.290 nan 0.000 0.552 371 L N 0.934 122.216 121.223 0.097 0.000 2.693 371 L HA 0.234 4.574 4.340 -0.000 0.000 0.235 371 L C 0.559 177.473 176.870 0.073 0.000 1.127 371 L CA -0.075 54.806 54.840 0.068 0.000 0.914 371 L CB 0.514 42.615 42.059 0.070 0.000 1.193 371 L HN 0.185 nan 8.230 nan 0.000 0.502 372 S N 0.489 116.248 115.700 0.098 0.000 2.454 372 S HA 0.736 5.206 4.470 -0.000 0.000 0.306 372 S C -0.372 174.260 174.600 0.053 0.000 1.100 372 S CA -0.662 57.588 58.200 0.084 0.000 1.087 372 S CB 2.034 65.297 63.200 0.105 0.000 1.019 372 S HN -0.001 nan 8.310 nan 0.000 0.480 373 V N -0.986 118.950 119.914 0.037 0.000 3.114 373 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 373 V C -0.510 175.596 176.094 0.019 0.000 1.168 373 V CA -0.774 61.542 62.300 0.026 0.000 1.015 373 V CB 1.618 33.452 31.823 0.019 0.000 1.050 373 V HN 0.906 nan 8.190 nan 0.000 0.433 374 S N 0.811 116.521 115.700 0.016 0.000 2.707 374 S HA 0.504 4.974 4.470 -0.000 0.000 0.312 374 S C 0.653 175.258 174.600 0.008 0.000 1.116 374 S CA -0.729 57.477 58.200 0.009 0.000 1.078 374 S CB 1.246 64.450 63.200 0.007 0.000 0.997 374 S HN 0.829 nan 8.310 nan 0.000 0.477 375 R N 2.812 123.315 120.500 0.005 0.000 2.235 375 R HA 0.017 4.356 4.340 -0.000 0.000 0.213 375 R C 1.396 177.699 176.300 0.006 0.000 1.059 375 R CA 0.893 56.996 56.100 0.006 0.000 0.997 375 R CB -0.165 30.138 30.300 0.005 0.000 0.884 375 R HN 0.519 nan 8.270 nan 0.000 0.462 376 V N 0.119 120.034 119.914 0.002 0.000 2.788 376 V HA 0.059 4.179 4.120 -0.000 0.000 0.251 376 V C 1.560 177.656 176.094 0.002 0.000 1.068 376 V CA 1.059 63.360 62.300 0.001 0.000 1.090 376 V CB -0.667 31.152 31.823 -0.007 0.000 0.710 376 V HN 0.625 nan 8.190 nan 0.000 0.467 377 G N 1.374 110.176 108.800 0.002 0.000 2.574 377 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.282 377 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.282 377 G C 1.110 176.011 174.900 0.002 0.000 1.257 377 G CA 1.076 46.179 45.100 0.005 0.000 0.956 377 G HN 0.947 nan 8.290 nan 0.000 0.560 378 S N 0.139 115.842 115.700 0.006 0.000 2.500 378 S HA 0.170 4.640 4.470 -0.000 0.000 0.239 378 S C 2.560 177.162 174.600 0.004 0.000 0.989 378 S CA 1.831 60.034 58.200 0.005 0.000 0.951 378 S CB -0.467 62.738 63.200 0.010 0.000 0.759 378 S HN 2.074 nan 8.310 nan 0.000 0.523 379 A N 1.940 124.764 122.820 0.007 0.000 1.908 379 A HA 0.348 4.668 4.320 -0.000 0.000 0.218 379 A C 2.051 179.637 177.584 0.003 0.000 1.181 379 A CA 1.385 53.430 52.037 0.014 0.000 0.627 379 A CB -1.110 17.902 19.000 0.020 0.000 0.818 379 A HN 1.042 nan 8.150 nan 0.000 0.445 380 A N -0.930 121.879 122.820 -0.018 0.000 2.988 380 A HA 0.492 4.812 4.320 -0.000 0.000 0.288 380 A C 0.269 177.821 177.584 -0.053 0.000 1.385 380 A CA -0.125 51.881 52.037 -0.051 0.000 1.001 380 A CB -0.371 18.592 19.000 -0.061 0.000 1.071 380 A HN 0.555 nan 8.150 nan 0.000 0.608 381 Q N 0.097 119.877 119.800 -0.034 0.000 2.359 381 Q HA 0.486 4.826 4.340 -0.000 0.000 0.274 381 Q C -1.225 174.762 176.000 -0.021 0.000 1.074 381 Q CA -0.643 55.144 55.803 -0.028 0.000 0.810 381 Q CB 2.468 31.200 28.738 -0.011 0.000 1.342 381 Q HN 0.174 nan 8.270 nan 0.000 0.427 382 V N 4.923 124.825 119.914 -0.020 0.000 2.617 382 V HA -0.097 4.023 4.120 -0.000 0.000 0.304 382 V C 1.326 177.422 176.094 0.003 0.000 1.040 382 V CA 0.318 62.613 62.300 -0.009 0.000 1.149 382 V CB 0.516 32.341 31.823 0.003 0.000 0.914 382 V HN 0.814 nan 8.190 nan 0.000 0.487 383 K N 3.883 124.286 120.400 0.005 0.000 2.218 383 K HA -0.195 4.125 4.320 -0.000 0.000 0.205 383 K C 2.094 178.701 176.600 0.012 0.000 1.046 383 K CA 1.592 57.885 56.287 0.009 0.000 0.933 383 K CB -0.525 31.981 32.500 0.010 0.000 0.728 383 K HN 0.848 nan 8.250 nan 0.000 0.454 384 A N 0.814 123.642 122.820 0.013 0.000 1.930 384 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 384 A C 2.132 179.728 177.584 0.019 0.000 1.175 384 A CA 1.014 53.059 52.037 0.013 0.000 0.627 384 A CB -0.330 18.678 19.000 0.013 0.000 0.815 384 A HN 0.202 nan 8.150 nan 0.000 0.443 385 L N -0.400 120.835 121.223 0.021 0.000 2.240 385 L HA 0.063 4.403 4.340 -0.000 0.000 0.211 385 L C 2.152 179.036 176.870 0.023 0.000 1.106 385 L CA 1.902 56.757 54.840 0.024 0.000 0.793 385 L CB -0.411 41.661 42.059 0.021 0.000 0.927 385 L HN 0.434 nan 8.230 nan 0.000 0.446 386 K N -1.140 119.271 120.400 0.018 0.000 2.147 386 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 386 K C 1.991 178.605 176.600 0.023 0.000 1.049 386 K CA 1.322 57.619 56.287 0.018 0.000 0.936 386 K CB 0.146 32.655 32.500 0.014 0.000 0.722 386 K HN 0.302 nan 8.250 nan 0.000 0.446 387 Q N 0.153 119.970 119.800 0.029 0.000 1.965 387 Q HA -0.135 4.205 4.340 -0.000 0.000 0.200 387 Q C 2.095 178.130 176.000 0.058 0.000 0.981 387 Q CA 2.140 57.967 55.803 0.040 0.000 0.834 387 Q CB -0.308 28.454 28.738 0.040 0.000 0.900 387 Q HN 0.328 nan 8.270 nan 0.000 0.426 388 V N -1.779 118.180 119.914 0.075 0.000 2.490 388 V HA 0.011 4.131 4.120 -0.000 0.000 0.250 388 V C 0.982 177.097 176.094 0.035 0.000 1.061 388 V CA 1.202 63.563 62.300 0.101 0.000 1.064 388 V CB -1.273 30.624 31.823 0.123 0.000 0.670 388 V HN 0.240 nan 8.190 nan 0.000 0.461 389 A N 1.005 123.839 122.820 0.024 0.000 2.621 389 A HA 0.733 5.053 4.320 -0.000 0.000 0.329 389 A C 1.025 178.612 177.584 0.005 0.000 1.458 389 A CA 0.232 52.273 52.037 0.007 0.000 1.052 389 A CB -0.055 18.953 19.000 0.013 0.000 1.142 389 A HN 0.513 nan 8.150 nan 0.000 0.523 390 G N 0.704 109.499 108.800 -0.009 0.000 2.948 390 G HA2 0.169 4.129 3.960 -0.000 0.000 0.174 390 G HA3 0.169 4.129 3.960 -0.000 0.000 0.174 390 G C 0.808 175.713 174.900 0.009 0.000 1.839 390 G CA 0.635 45.733 45.100 -0.004 0.000 0.908 390 G HN 0.591 nan 8.290 nan 0.000 0.419 391 S N 0.747 116.455 115.700 0.014 0.000 2.526 391 S HA 0.146 4.616 4.470 -0.000 0.000 0.247 391 S C 1.503 176.152 174.600 0.082 0.000 1.076 391 S CA -0.522 57.706 58.200 0.047 0.000 1.105 391 S CB 0.505 63.740 63.200 0.059 0.000 0.793 391 S HN 0.344 nan 8.310 nan 0.000 0.458 392 L N 2.661 123.915 121.223 0.051 0.000 2.079 392 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 392 L C 2.172 179.124 176.870 0.137 0.000 1.081 392 L CA 1.871 56.760 54.840 0.081 0.000 0.752 392 L CB -0.356 41.717 42.059 0.023 0.000 0.896 392 L HN 0.272 nan 8.230 nan 0.000 0.433 393 K N -0.911 119.545 120.400 0.093 0.000 2.147 393 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 393 K C 1.943 178.600 176.600 0.096 0.000 1.049 393 K CA 1.501 57.840 56.287 0.086 0.000 0.936 393 K CB -0.103 32.433 32.500 0.059 0.000 0.722 393 K HN 0.451 nan 8.250 nan 0.000 0.446 394 L N -0.338 120.949 121.223 0.107 0.000 2.307 394 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 394 L C 2.099 179.045 176.870 0.125 0.000 1.099 394 L CA 0.144 55.041 54.840 0.095 0.000 0.816 394 L CB -0.209 41.897 42.059 0.080 0.000 0.952 394 L HN 0.149 nan 8.230 nan 0.000 0.455 395 F N 0.783 120.751 119.950 0.029 0.000 2.206 395 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 395 F C 2.036 177.884 175.800 0.080 0.000 1.090 395 F CA 1.342 59.365 58.000 0.038 0.000 1.323 395 F CB 0.064 39.070 39.000 0.010 0.000 1.028 395 F HN -0.123 nan 8.300 nan 0.000 0.492 396 L N -0.323 121.012 121.223 0.186 0.000 2.217 396 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 396 L C 2.678 179.607 176.870 0.097 0.000 1.107 396 L CA 0.832 55.767 54.840 0.157 0.000 0.783 396 L CB -0.967 41.197 42.059 0.176 0.000 0.919 396 L HN 0.204 nan 8.230 nan 0.000 0.442 397 A N -0.397 122.455 122.820 0.053 0.000 1.969 397 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 397 A C 2.232 179.796 177.584 -0.032 0.000 1.169 397 A CA 1.212 53.261 52.037 0.020 0.000 0.635 397 A CB -0.229 18.786 19.000 0.026 0.000 0.810 397 A HN 0.460 nan 8.150 nan 0.000 0.445 398 Q N -2.025 117.729 119.800 -0.076 0.000 2.123 398 Q HA -0.111 4.229 4.340 -0.000 0.000 0.196 398 Q C 1.988 177.886 176.000 -0.170 0.000 0.958 398 Q CA 1.323 57.048 55.803 -0.129 0.000 0.841 398 Q CB -0.364 28.279 28.738 -0.158 0.000 0.915 398 Q HN 0.825 nan 8.270 nan 0.000 0.455 399 Y N 1.962 122.046 120.300 -0.360 0.000 2.193 399 Y HA -0.273 4.277 4.550 -0.000 0.000 0.285 399 Y C 2.256 178.066 175.900 -0.150 0.000 1.166 399 Y CA 1.646 59.552 58.100 -0.323 0.000 1.181 399 Y CB -0.148 38.100 38.460 -0.353 0.000 0.976 399 Y HN -0.091 nan 8.280 nan 0.000 0.520 400 R N 0.477 120.745 120.500 -0.387 0.000 2.070 400 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 400 R C 2.433 178.566 176.300 -0.278 0.000 1.138 400 R CA 1.907 57.763 56.100 -0.407 0.000 0.936 400 R CB -0.522 29.682 30.300 -0.159 0.000 0.839 400 R HN 0.597 nan 8.270 nan 0.000 0.429 401 E N -0.038 120.065 120.200 -0.161 0.000 2.085 401 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 401 E C 1.907 178.464 176.600 -0.072 0.000 0.994 401 E CA 1.587 57.933 56.400 -0.089 0.000 0.801 401 E CB 0.087 29.747 29.700 -0.067 0.000 0.743 401 E HN 0.184 nan 8.360 nan 0.000 0.453 402 V N 1.314 121.155 119.914 -0.121 0.000 2.287 402 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 402 V C 2.527 178.587 176.094 -0.056 0.000 1.053 402 V CA 1.955 64.214 62.300 -0.069 0.000 1.027 402 V CB -0.905 30.868 31.823 -0.083 0.000 0.646 402 V HN 0.463 nan 8.190 nan 0.000 0.447 403 A N -0.107 122.591 122.820 -0.204 0.000 1.908 403 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 403 A C 2.362 179.860 177.584 -0.144 0.000 1.181 403 A CA 2.174 54.084 52.037 -0.212 0.000 0.627 403 A CB -0.753 18.004 19.000 -0.405 0.000 0.818 403 A HN 0.602 nan 8.150 nan 0.000 0.445 404 A N -1.825 120.925 122.820 -0.115 0.000 2.014 404 A HA 0.084 4.404 4.320 -0.000 0.000 0.218 404 A C 1.940 179.509 177.584 -0.024 0.000 1.163 404 A CA 1.269 53.262 52.037 -0.073 0.000 0.652 404 A CB -0.598 18.371 19.000 -0.051 0.000 0.808 404 A HN 0.628 nan 8.150 nan 0.000 0.449 405 F N 1.052 120.939 119.950 -0.105 0.000 2.186 405 F HA 0.181 4.708 4.527 -0.000 0.000 0.299 405 F C 1.676 177.411 175.800 -0.108 0.000 1.090 405 F CA 0.708 58.682 58.000 -0.044 0.000 1.307 405 F CB -0.148 38.857 39.000 0.009 0.000 1.019 405 F HN 0.160 nan 8.300 nan 0.000 0.489 406 A N 1.378 124.053 122.820 -0.241 0.000 3.026 406 A HA 0.126 4.446 4.320 -0.000 0.000 0.272 406 A C 0.986 178.075 177.584 -0.825 0.000 1.782 406 A CA -0.178 51.363 52.037 -0.826 0.000 1.451 406 A CB -0.607 18.107 19.000 -0.477 0.000 1.081 406 A HN 0.471 nan 8.150 nan 0.000 0.611 407 Q N 0.467 119.796 119.800 -0.786 0.000 2.247 407 Q HA 0.085 4.425 4.340 -0.000 0.000 0.211 407 Q C 0.650 176.459 176.000 -0.318 0.000 0.861 407 Q CA 0.410 55.964 55.803 -0.415 0.000 0.949 407 Q CB 0.086 28.687 28.738 -0.228 0.000 1.115 407 Q HN 0.964 nan 8.270 nan 0.000 0.507 408 F N -1.440 118.428 119.950 -0.136 0.000 2.317 408 F HA 0.401 4.928 4.527 -0.000 0.000 0.293 408 F C 1.302 177.064 175.800 -0.063 0.000 1.085 408 F CA 0.462 58.401 58.000 -0.102 0.000 1.390 408 F CB -0.416 38.516 39.000 -0.114 0.000 1.077 408 F HN -0.020 nan 8.300 nan 0.000 0.517 409 G N 0.970 109.697 108.800 -0.122 0.000 2.467 409 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.242 409 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.242 409 G C -0.255 174.734 174.900 0.148 0.000 1.127 409 G CA 0.056 45.146 45.100 -0.016 0.000 0.924 409 G HN 0.529 nan 8.290 nan 0.000 0.499 410 S N -0.477 115.415 115.700 0.320 0.000 2.795 410 S HA 0.754 5.224 4.470 -0.000 0.000 0.308 410 S C -0.359 174.364 174.600 0.204 0.000 1.098 410 S CA -0.227 58.141 58.200 0.280 0.000 0.934 410 S CB 1.354 64.740 63.200 0.310 0.000 1.300 410 S HN 0.708 nan 8.310 nan 0.000 0.566 411 D N 0.944 121.437 120.400 0.155 0.000 2.177 411 D HA 0.402 5.042 4.640 -0.000 0.000 0.247 411 D C -0.766 175.619 176.300 0.143 0.000 1.063 411 D CA -0.323 53.746 54.000 0.116 0.000 0.867 411 D CB 0.402 41.244 40.800 0.071 0.000 1.168 411 D HN 0.269 nan 8.370 nan 0.000 0.445 412 L N 1.581 122.881 121.223 0.129 0.000 2.344 412 L HA 0.251 4.590 4.340 -0.000 0.000 0.272 412 L C 0.863 177.785 176.870 0.087 0.000 1.035 412 L CA -1.245 53.676 54.840 0.135 0.000 0.807 412 L CB 1.196 43.337 42.059 0.138 0.000 1.237 412 L HN 0.457 nan 8.230 nan 0.000 0.442 413 D N 1.412 121.859 120.400 0.077 0.000 2.346 413 D HA -0.042 4.598 4.640 -0.000 0.000 0.236 413 D C 0.843 177.171 176.300 0.047 0.000 1.259 413 D CA -0.042 53.989 54.000 0.052 0.000 0.898 413 D CB 1.011 41.837 40.800 0.043 0.000 1.178 413 D HN 0.594 nan 8.370 nan 0.000 0.457 414 A N 0.894 123.736 122.820 0.035 0.000 2.121 414 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 414 A C 2.237 179.842 177.584 0.035 0.000 1.154 414 A CA 1.174 53.230 52.037 0.031 0.000 0.679 414 A CB -0.485 18.528 19.000 0.021 0.000 0.795 414 A HN 0.518 nan 8.150 nan 0.000 0.458 415 S N -0.265 115.456 115.700 0.035 0.000 2.355 415 S HA -0.126 4.344 4.470 -0.000 0.000 0.222 415 S C 2.168 176.797 174.600 0.049 0.000 1.031 415 S CA 1.905 60.127 58.200 0.037 0.000 0.993 415 S CB -0.451 62.767 63.200 0.028 0.000 0.859 415 S HN 0.896 nan 8.310 nan 0.000 0.453 416 T N -0.667 113.917 114.554 0.050 0.000 3.057 416 T HA 0.221 4.571 4.350 -0.000 0.000 0.254 416 T C 1.577 176.317 174.700 0.068 0.000 1.094 416 T CA 0.318 62.451 62.100 0.055 0.000 1.088 416 T CB 0.008 68.909 68.868 0.055 0.000 0.934 416 T HN 0.019 nan 8.240 nan 0.000 0.497 417 K N 1.169 121.607 120.400 0.063 0.000 2.155 417 K HA -0.029 4.291 4.320 -0.000 0.000 0.203 417 K C 2.363 178.999 176.600 0.060 0.000 1.052 417 K CA 1.249 57.572 56.287 0.060 0.000 0.948 417 K CB -0.219 32.310 32.500 0.048 0.000 0.728 417 K HN 0.476 nan 8.250 nan 0.000 0.448 418 Q N 0.565 120.401 119.800 0.059 0.000 2.084 418 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 418 Q C 1.695 177.757 176.000 0.103 0.000 0.978 418 Q CA 2.720 58.559 55.803 0.059 0.000 0.844 418 Q CB -0.394 28.376 28.738 0.052 0.000 0.898 418 Q HN 0.400 nan 8.270 nan 0.000 0.426 419 T N -1.847 112.791 114.554 0.140 0.000 2.937 419 T HA -0.035 4.315 4.350 -0.000 0.000 0.260 419 T C 1.815 176.622 174.700 0.179 0.000 1.051 419 T CA 0.805 63.040 62.100 0.225 0.000 1.141 419 T CB -0.455 68.488 68.868 0.126 0.000 0.879 419 T HN 0.322 nan 8.240 nan 0.000 0.459 420 L N 0.929 122.242 121.223 0.151 0.000 2.131 420 L HA 0.004 4.344 4.340 -0.000 0.000 0.210 420 L C 2.526 179.478 176.870 0.136 0.000 1.092 420 L CA 0.953 55.913 54.840 0.201 0.000 0.759 420 L CB -0.232 41.908 42.059 0.135 0.000 0.903 420 L HN 0.153 nan 8.230 nan 0.000 0.435 421 V N -0.328 119.630 119.914 0.074 0.000 2.323 421 V HA -0.229 3.891 4.120 -0.000 0.000 0.244 421 V C 2.612 178.695 176.094 -0.019 0.000 1.041 421 V CA 2.001 64.316 62.300 0.024 0.000 1.025 421 V CB -0.623 31.206 31.823 0.011 0.000 0.656 421 V HN 0.479 nan 8.190 nan 0.000 0.451 422 R N 0.382 120.885 120.500 0.004 0.000 2.062 422 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 422 R C 2.394 178.641 176.300 -0.088 0.000 1.136 422 R CA 1.724 57.807 56.100 -0.027 0.000 0.948 422 R CB -0.872 29.436 30.300 0.013 0.000 0.845 422 R HN 0.495 nan 8.270 nan 0.000 0.430 423 G N 0.621 109.351 108.800 -0.117 0.000 2.469 423 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 423 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 423 G C 1.284 175.504 174.900 -1.135 0.000 1.150 423 G CA 1.011 45.678 45.100 -0.722 0.000 0.763 423 G HN 0.535 nan 8.290 nan 0.000 0.561 424 E N -0.102 119.676 120.200 -0.703 0.000 2.208 424 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 424 E C 2.542 179.053 176.600 -0.150 0.000 0.988 424 E CA 0.235 56.488 56.400 -0.246 0.000 0.828 424 E CB 0.013 29.740 29.700 0.046 0.000 0.763 424 E HN 0.386 nan 8.360 nan 0.000 0.478 425 R N -0.443 119.961 120.500 -0.159 0.000 2.254 425 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 425 R C 2.167 178.393 176.300 -0.123 0.000 0.957 425 R CA 0.081 56.110 56.100 -0.118 0.000 1.024 425 R CB 0.243 30.473 30.300 -0.117 0.000 0.952 425 R HN 0.206 nan 8.270 nan 0.000 0.484 426 L N -0.286 120.850 121.223 -0.145 0.000 2.209 426 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 426 L C 1.853 178.679 176.870 -0.073 0.000 1.094 426 L CA 1.097 55.873 54.840 -0.107 0.000 0.790 426 L CB -0.126 41.879 42.059 -0.090 0.000 0.932 426 L HN 0.145 nan 8.230 nan 0.000 0.447 427 T N -1.484 113.017 114.554 -0.089 0.000 2.821 427 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 427 T C 1.759 176.453 174.700 -0.010 0.000 1.046 427 T CA 1.094 63.181 62.100 -0.020 0.000 1.139 427 T CB -0.094 68.792 68.868 0.030 0.000 0.871 427 T HN 0.148 nan 8.240 nan 0.000 0.454 428 Q N 0.430 120.215 119.800 -0.025 0.000 2.369 428 Q HA 0.106 4.446 4.340 -0.000 0.000 0.206 428 Q C 1.823 177.815 176.000 -0.012 0.000 0.963 428 Q CA 0.552 56.346 55.803 -0.015 0.000 0.894 428 Q CB -0.348 28.378 28.738 -0.020 0.000 0.965 428 Q HN 0.415 nan 8.270 nan 0.000 0.475 429 L N -0.928 120.280 121.223 -0.024 0.000 2.492 429 L HA 0.147 4.487 4.340 -0.000 0.000 0.223 429 L C 1.139 178.009 176.870 -0.000 0.000 1.132 429 L CA 1.124 55.955 54.840 -0.015 0.000 0.850 429 L CB 0.111 42.145 42.059 -0.043 0.000 0.966 429 L HN 0.280 nan 8.230 nan 0.000 0.454 430 L N -1.116 120.107 121.223 -0.000 0.000 2.354 430 L HA 0.076 4.416 4.340 -0.000 0.000 0.212 430 L C 1.047 177.922 176.870 0.009 0.000 1.091 430 L CA -0.072 54.773 54.840 0.008 0.000 0.828 430 L CB -0.240 41.827 42.059 0.013 0.000 0.973 430 L HN 0.057 nan 8.230 nan 0.000 0.461 431 K N 1.275 121.678 120.400 0.005 0.000 2.542 431 K HA -0.002 4.318 4.320 -0.000 0.000 0.276 431 K C -0.095 176.508 176.600 0.004 0.000 0.963 431 K CA 0.839 57.125 56.287 -0.001 0.000 0.975 431 K CB 0.349 32.844 32.500 -0.008 0.000 0.901 431 K HN 0.066 nan 8.250 nan 0.000 0.506 432 Q N 0.640 120.440 119.800 -0.001 0.000 2.633 432 Q HA 0.219 4.559 4.340 -0.000 0.000 0.289 432 Q C -1.647 174.353 176.000 0.001 0.000 0.940 432 Q CA -0.799 55.007 55.803 0.005 0.000 0.785 432 Q CB 1.717 30.459 28.738 0.007 0.000 1.467 432 Q HN 0.544 nan 8.270 nan 0.000 0.401 433 N N 1.122 119.828 118.700 0.010 0.000 2.404 433 N HA 0.298 5.038 4.740 -0.000 0.000 0.297 433 N C -1.102 174.409 175.510 0.001 0.000 1.163 433 N CA -0.498 52.562 53.050 0.016 0.000 0.864 433 N CB 1.579 40.091 38.487 0.041 0.000 1.247 433 N HN 0.495 nan 8.380 nan 0.000 0.510 434 Q N -0.025 119.763 119.800 -0.021 0.000 2.474 434 Q HA 0.026 4.366 4.340 -0.000 0.000 0.256 434 Q C -0.309 175.666 176.000 -0.041 0.000 1.048 434 Q CA 0.354 56.048 55.803 -0.182 0.000 0.922 434 Q CB 0.268 28.794 28.738 -0.353 0.000 1.288 434 Q HN 0.568 nan 8.270 nan 0.000 0.484 435 Y N -1.585 118.712 120.300 -0.005 0.000 4.819 435 Y HA -0.279 4.271 4.550 -0.000 0.000 0.230 435 Y C -0.035 175.889 175.900 0.040 0.000 1.009 435 Y CA 0.879 58.980 58.100 0.002 0.000 1.971 435 Y CB -1.868 36.632 38.460 0.067 0.000 1.587 435 Y HN 0.337 nan 8.280 nan 0.000 0.587 436 S N 0.725 116.494 115.700 0.115 0.000 2.150 436 S HA 0.442 4.912 4.470 -0.000 0.000 0.171 436 S C -2.241 172.388 174.600 0.048 0.000 1.620 436 S CA -0.991 57.262 58.200 0.088 0.000 1.190 436 S CB 1.314 64.562 63.200 0.080 0.000 1.102 436 S HN -0.008 nan 8.310 nan 0.000 0.464 437 P HA 0.513 nan 4.420 nan 0.000 0.279 437 P C -0.891 176.426 177.300 0.028 0.000 1.276 437 P CA -0.686 62.433 63.100 0.032 0.000 0.801 437 P CB 0.735 32.457 31.700 0.036 0.000 1.127 438 L N -0.088 121.154 121.223 0.030 0.000 2.438 438 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 438 L C 0.085 176.977 176.870 0.036 0.000 0.972 438 L CA -1.124 53.732 54.840 0.026 0.000 0.831 438 L CB 1.871 43.948 42.059 0.030 0.000 1.273 438 L HN 0.395 nan 8.230 nan 0.000 0.405 439 A N 1.881 124.711 122.820 0.017 0.000 2.448 439 A HA 0.278 4.598 4.320 -0.000 0.000 0.239 439 A C 1.273 178.893 177.584 0.060 0.000 1.080 439 A CA 0.181 52.239 52.037 0.035 0.000 0.779 439 A CB 0.306 19.290 19.000 -0.027 0.000 1.026 439 A HN 0.843 nan 8.150 nan 0.000 0.499 440 T N 0.914 115.527 114.554 0.098 0.000 2.737 440 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 440 T C 1.686 176.417 174.700 0.053 0.000 1.040 440 T CA 1.869 64.017 62.100 0.079 0.000 1.142 440 T CB -0.274 68.650 68.868 0.094 0.000 0.861 440 T HN 0.872 nan 8.240 nan 0.000 0.456 441 E N 1.652 121.878 120.200 0.043 0.000 2.265 441 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 441 E C 1.488 178.103 176.600 0.026 0.000 0.996 441 E CA 1.093 57.509 56.400 0.025 0.000 0.832 441 E CB -0.279 29.427 29.700 0.010 0.000 0.756 441 E HN 0.589 nan 8.360 nan 0.000 0.491 442 E N 0.295 120.512 120.200 0.028 0.000 2.400 442 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 442 E C 1.976 178.606 176.600 0.051 0.000 1.012 442 E CA 0.129 56.549 56.400 0.035 0.000 0.875 442 E CB 0.250 29.962 29.700 0.020 0.000 0.859 442 E HN 0.370 nan 8.360 nan 0.000 0.498 443 Q N 0.047 119.876 119.800 0.048 0.000 2.165 443 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 443 Q C 2.333 178.363 176.000 0.050 0.000 0.952 443 Q CA 0.607 56.438 55.803 0.047 0.000 0.848 443 Q CB 0.290 29.054 28.738 0.043 0.000 0.931 443 Q HN 0.092 nan 8.270 nan 0.000 0.470 444 V N 2.046 121.990 119.914 0.048 0.000 2.282 444 V HA -0.224 3.896 4.120 -0.000 0.000 0.249 444 V C -0.821 175.315 176.094 0.070 0.000 1.057 444 V CA 2.203 64.532 62.300 0.049 0.000 1.032 444 V CB -1.484 30.356 31.823 0.028 0.000 0.645 444 V HN 0.248 nan 8.190 nan 0.000 0.447 445 P HA -0.129 nan 4.420 nan 0.000 0.214 445 P C 1.997 179.339 177.300 0.070 0.000 1.162 445 P CA 1.422 64.598 63.100 0.127 0.000 0.879 445 P CB -0.083 31.774 31.700 0.260 0.000 0.786 446 L N -1.186 120.071 121.223 0.056 0.000 2.042 446 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 446 L C 2.340 179.198 176.870 -0.019 0.000 1.076 446 L CA 1.298 56.138 54.840 -0.001 0.000 0.749 446 L CB -0.822 41.262 42.059 0.042 0.000 0.893 446 L HN -0.040 nan 8.230 nan 0.000 0.432 447 I N -1.234 119.345 120.570 0.015 0.000 2.315 447 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 447 I C 2.457 178.568 176.117 -0.010 0.000 1.117 447 I CA 1.572 62.872 61.300 0.000 0.000 1.404 447 I CB -1.022 36.991 38.000 0.022 0.000 1.071 447 I HN 0.271 nan 8.210 nan 0.000 0.419 448 Y N 2.155 122.396 120.300 -0.099 0.000 2.181 448 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 448 Y C 2.454 178.232 175.900 -0.203 0.000 1.146 448 Y CA 1.670 59.695 58.100 -0.125 0.000 1.164 448 Y CB -0.165 38.226 38.460 -0.115 0.000 0.982 448 Y HN 0.118 nan 8.280 nan 0.000 0.515 449 A N -0.762 121.949 122.820 -0.181 0.000 2.255 449 A HA 0.149 4.469 4.320 -0.000 0.000 0.206 449 A C 2.050 179.506 177.584 -0.213 0.000 1.193 449 A CA 1.169 53.006 52.037 -0.333 0.000 0.794 449 A CB -1.202 17.572 19.000 -0.376 0.000 0.794 449 A HN 0.599 nan 8.150 nan 0.000 0.481 450 G N -1.518 107.166 108.800 -0.193 0.000 2.881 450 G HA2 0.166 4.126 3.960 -0.000 0.000 0.198 450 G HA3 0.166 4.126 3.960 -0.000 0.000 0.198 450 G C 1.209 175.985 174.900 -0.206 0.000 1.081 450 G CA 0.864 45.859 45.100 -0.175 0.000 0.787 450 G HN 0.180 nan 8.290 nan 0.000 0.622 451 V N 1.816 121.593 119.914 -0.228 0.000 2.453 451 V HA -0.118 4.002 4.120 -0.000 0.000 0.247 451 V C 2.181 178.106 176.094 -0.281 0.000 1.048 451 V CA 1.546 63.688 62.300 -0.263 0.000 1.049 451 V CB -0.474 31.224 31.823 -0.209 0.000 0.672 451 V HN 0.369 nan 8.190 nan 0.000 0.457 452 N N 0.192 118.694 118.700 -0.330 0.000 2.467 452 N HA 0.090 4.830 4.740 -0.000 0.000 0.184 452 N C 1.020 176.447 175.510 -0.138 0.000 1.106 452 N CA 0.708 53.590 53.050 -0.280 0.000 0.892 452 N CB 0.363 38.533 38.487 -0.528 0.000 0.969 452 N HN 0.584 nan 8.380 nan 0.000 0.454 453 G N 1.329 110.067 108.800 -0.104 0.000 2.689 453 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.273 453 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.273 453 G C -0.241 174.518 174.900 -0.234 0.000 1.062 453 G CA -0.189 44.817 45.100 -0.157 0.000 1.279 453 G HN 0.515 nan 8.290 nan 0.000 0.547 454 H N 0.137 119.082 119.070 -0.208 0.000 3.266 454 H HA 0.290 4.846 4.556 -0.000 0.000 0.246 454 H C 2.374 177.556 175.328 -0.242 0.000 0.998 454 H CA 0.257 56.197 56.048 -0.180 0.000 1.152 454 H CB 0.231 29.901 29.762 -0.153 0.000 1.466 454 H HN 0.364 nan 8.280 nan 0.000 0.481 455 L N 0.918 122.028 121.223 -0.188 0.000 2.627 455 L HA 0.036 4.376 4.340 -0.000 0.000 0.233 455 L C 0.553 177.295 176.870 -0.214 0.000 1.144 455 L CA 0.462 55.108 54.840 -0.323 0.000 0.892 455 L CB 0.134 41.973 42.059 -0.366 0.000 1.039 455 L HN 0.222 nan 8.230 nan 0.000 0.442 456 D N -0.273 120.032 120.400 -0.159 0.000 2.234 456 D HA -0.088 4.552 4.640 -0.000 0.000 0.205 456 D C 2.177 178.417 176.300 -0.100 0.000 0.962 456 D CA 1.043 54.971 54.000 -0.121 0.000 0.855 456 D CB 0.010 40.744 40.800 -0.110 0.000 0.951 456 D HN 0.257 nan 8.370 nan 0.000 0.500 457 G N 0.054 108.791 108.800 -0.105 0.000 2.494 457 G HA2 0.020 3.980 3.960 -0.000 0.000 0.216 457 G HA3 0.020 3.980 3.960 -0.000 0.000 0.216 457 G C 0.578 175.435 174.900 -0.071 0.000 1.140 457 G CA -0.131 44.924 45.100 -0.076 0.000 0.801 457 G HN 0.093 nan 8.290 nan 0.000 0.536 458 I N 1.151 121.657 120.570 -0.107 0.000 2.692 458 I HA 0.118 4.288 4.170 -0.000 0.000 0.284 458 I C 0.725 176.801 176.117 -0.068 0.000 1.159 458 I CA -0.490 60.754 61.300 -0.094 0.000 1.423 458 I CB 0.994 38.879 38.000 -0.193 0.000 1.380 458 I HN 0.117 nan 8.210 nan 0.000 0.580 459 E N 3.384 123.566 120.200 -0.030 0.000 2.404 459 E HA -0.019 4.331 4.350 -0.000 0.000 0.261 459 E C 0.859 177.446 176.600 -0.022 0.000 1.074 459 E CA -0.455 55.934 56.400 -0.018 0.000 0.917 459 E CB 0.717 30.417 29.700 0.001 0.000 0.965 459 E HN 0.542 nan 8.360 nan 0.000 0.433 460 L N 3.170 124.383 121.223 -0.017 0.000 2.275 460 L HA -0.105 4.235 4.340 -0.000 0.000 0.215 460 L C 1.760 178.629 176.870 -0.002 0.000 1.119 460 L CA 1.662 56.492 54.840 -0.016 0.000 0.790 460 L CB -0.086 41.968 42.059 -0.009 0.000 0.919 460 L HN 0.433 nan 8.230 nan 0.000 0.443 461 S N -1.307 114.397 115.700 0.007 0.000 2.478 461 S HA 0.093 4.563 4.470 -0.000 0.000 0.222 461 S C 1.876 176.496 174.600 0.033 0.000 1.008 461 S CA 0.183 58.394 58.200 0.018 0.000 0.928 461 S CB -0.015 63.195 63.200 0.017 0.000 0.781 461 S HN 0.423 nan 8.310 nan 0.000 0.518 462 R N 0.701 121.226 120.500 0.041 0.000 2.254 462 R HA 0.264 4.604 4.340 -0.000 0.000 0.195 462 R C 1.778 178.148 176.300 0.117 0.000 0.957 462 R CA 0.266 56.413 56.100 0.079 0.000 1.024 462 R CB -0.281 30.072 30.300 0.089 0.000 0.952 462 R HN 0.412 nan 8.270 nan 0.000 0.484 463 I N 0.188 120.799 120.570 0.068 0.000 2.248 463 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 463 I C 2.435 178.633 176.117 0.135 0.000 1.107 463 I CA 1.651 62.996 61.300 0.076 0.000 1.373 463 I CB -0.787 37.205 38.000 -0.014 0.000 1.055 463 I HN 0.236 nan 8.210 nan 0.000 0.418 464 G N 0.539 109.392 108.800 0.088 0.000 2.450 464 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 464 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 464 G C 1.541 176.502 174.900 0.101 0.000 1.130 464 G CA 0.740 45.887 45.100 0.079 0.000 0.760 464 G HN 0.500 nan 8.290 nan 0.000 0.557 465 E N -0.810 119.466 120.200 0.127 0.000 2.250 465 E HA 0.079 4.429 4.350 -0.000 0.000 0.192 465 E C 1.943 178.645 176.600 0.170 0.000 0.986 465 E CA -0.176 56.299 56.400 0.126 0.000 0.849 465 E CB -0.097 29.673 29.700 0.117 0.000 0.797 465 E HN 0.449 nan 8.360 nan 0.000 0.482 466 F N 2.889 122.889 119.950 0.084 0.000 2.126 466 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 466 F C 2.270 178.115 175.800 0.074 0.000 1.096 466 F CA 1.832 59.902 58.000 0.117 0.000 1.255 466 F CB 0.036 39.090 39.000 0.090 0.000 0.997 466 F HN -0.051 nan 8.300 nan 0.000 0.479 467 E N 0.284 120.615 120.200 0.219 0.000 2.026 467 E HA -0.308 4.042 4.350 -0.000 0.000 0.206 467 E C 2.255 178.848 176.600 -0.012 0.000 1.028 467 E CA 2.455 58.921 56.400 0.110 0.000 0.845 467 E CB -0.450 29.316 29.700 0.110 0.000 0.772 467 E HN 0.501 nan 8.360 nan 0.000 0.462 468 S N -0.102 115.600 115.700 0.003 0.000 2.419 468 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 468 S C 2.158 176.717 174.600 -0.069 0.000 1.016 468 S CA 1.385 59.573 58.200 -0.019 0.000 0.974 468 S CB -0.257 62.947 63.200 0.008 0.000 0.786 468 S HN 0.260 nan 8.310 nan 0.000 0.492 469 S N 0.671 116.312 115.700 -0.099 0.000 2.371 469 S HA 0.026 4.496 4.470 -0.000 0.000 0.224 469 S C 1.415 175.761 174.600 -0.423 0.000 1.029 469 S CA 0.729 58.864 58.200 -0.107 0.000 0.978 469 S CB -0.647 62.587 63.200 0.057 0.000 0.833 469 S HN 0.583 nan 8.310 nan 0.000 0.466 470 F N 1.971 121.335 119.950 -0.978 0.000 2.293 470 F HA 0.137 4.664 4.527 -0.000 0.000 0.300 470 F C 1.627 177.071 175.800 -0.593 0.000 1.086 470 F CA 0.972 58.154 58.000 -1.363 0.000 1.375 470 F CB -0.155 38.033 39.000 -1.352 0.000 1.045 470 F HN 0.192 nan 8.300 nan 0.000 0.516 471 L N -0.895 120.156 121.223 -0.287 0.000 2.056 471 L HA -0.201 4.138 4.340 -0.000 0.000 0.207 471 L C 2.529 179.275 176.870 -0.207 0.000 1.078 471 L CA 1.297 56.025 54.840 -0.188 0.000 0.749 471 L CB -1.043 40.971 42.059 -0.073 0.000 0.901 471 L HN 0.006 nan 8.230 nan 0.000 0.433 472 S N -0.648 114.952 115.700 -0.167 0.000 2.353 472 S HA -0.285 4.185 4.470 -0.000 0.000 0.222 472 S C 1.924 176.459 174.600 -0.108 0.000 1.035 472 S CA 1.625 59.765 58.200 -0.100 0.000 1.025 472 S CB -0.643 62.536 63.200 -0.035 0.000 0.902 472 S HN 0.420 nan 8.310 nan 0.000 0.440 473 Y N 2.135 122.271 120.300 -0.272 0.000 2.241 473 Y HA -0.132 4.418 4.550 -0.000 0.000 0.286 473 Y C 1.842 177.590 175.900 -0.253 0.000 1.166 473 Y CA 1.221 59.190 58.100 -0.218 0.000 1.203 473 Y CB -0.322 37.994 38.460 -0.240 0.000 0.977 473 Y HN 0.160 nan 8.280 nan 0.000 0.529 474 L N -0.227 120.797 121.223 -0.332 0.000 2.095 474 L HA -0.163 4.177 4.340 -0.000 0.000 0.204 474 L C 2.258 179.005 176.870 -0.205 0.000 1.080 474 L CA 1.425 56.092 54.840 -0.288 0.000 0.759 474 L CB -0.432 41.461 42.059 -0.277 0.000 0.914 474 L HN 0.079 nan 8.230 nan 0.000 0.439 475 K N -0.655 119.641 120.400 -0.174 0.000 2.365 475 K HA -0.018 4.302 4.320 -0.000 0.000 0.199 475 K C 2.065 178.581 176.600 -0.140 0.000 1.045 475 K CA 0.830 57.039 56.287 -0.129 0.000 0.962 475 K CB 0.162 32.602 32.500 -0.099 0.000 0.759 475 K HN 0.188 nan 8.250 nan 0.000 0.469 476 S N 0.761 116.352 115.700 -0.183 0.000 2.398 476 S HA 0.026 4.496 4.470 -0.000 0.000 0.220 476 S C 1.328 175.782 174.600 -0.244 0.000 1.046 476 S CA 0.696 58.789 58.200 -0.179 0.000 0.953 476 S CB -0.013 63.097 63.200 -0.150 0.000 0.856 476 S HN 0.270 nan 8.310 nan 0.000 0.506 477 N N 0.985 119.450 118.700 -0.392 0.000 2.324 477 N HA 0.066 4.806 4.740 -0.000 0.000 0.192 477 N C 0.315 175.550 175.510 -0.458 0.000 1.046 477 N CA 0.821 53.581 53.050 -0.485 0.000 0.898 477 N CB -0.383 37.643 38.487 -0.768 0.000 1.079 477 N HN 0.323 nan 8.380 nan 0.000 0.456 478 H N 1.266 120.127 119.070 -0.348 0.000 2.768 478 H HA 0.165 4.721 4.556 -0.000 0.000 0.219 478 H C 0.512 175.741 175.328 -0.165 0.000 1.898 478 H CA -0.110 55.816 56.048 -0.203 0.000 1.313 478 H CB -0.105 29.563 29.762 -0.155 0.000 1.701 478 H HN 0.293 nan 8.280 nan 0.000 0.534 479 N N 1.216 119.860 118.700 -0.094 0.000 2.250 479 N HA -0.123 4.617 4.740 -0.000 0.000 0.181 479 N C 1.458 176.938 175.510 -0.048 0.000 1.017 479 N CA 0.582 53.584 53.050 -0.079 0.000 0.866 479 N CB 0.453 38.884 38.487 -0.094 0.000 0.985 479 N HN 0.417 nan 8.380 nan 0.000 0.429 480 E N 0.731 120.906 120.200 -0.043 0.000 2.160 480 E HA -0.139 4.211 4.350 -0.000 0.000 0.195 480 E C 1.905 178.498 176.600 -0.013 0.000 0.991 480 E CA 0.397 56.781 56.400 -0.028 0.000 0.810 480 E CB -0.017 29.667 29.700 -0.027 0.000 0.742 480 E HN 0.347 nan 8.360 nan 0.000 0.466 481 L N 0.369 121.593 121.223 0.002 0.000 2.005 481 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 481 L C 2.624 179.487 176.870 -0.012 0.000 1.072 481 L CA 1.230 56.070 54.840 0.001 0.000 0.744 481 L CB -1.468 40.597 42.059 0.010 0.000 0.895 481 L HN 0.182 nan 8.230 nan 0.000 0.433 482 L N -0.584 120.628 121.223 -0.017 0.000 2.081 482 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 482 L C 2.501 179.362 176.870 -0.015 0.000 1.080 482 L CA 1.677 56.506 54.840 -0.018 0.000 0.754 482 L CB -1.146 40.895 42.059 -0.028 0.000 0.893 482 L HN 0.321 nan 8.230 nan 0.000 0.433 483 T N -1.255 113.288 114.554 -0.018 0.000 2.746 483 T HA -0.160 4.189 4.350 -0.000 0.000 0.267 483 T C 1.801 176.497 174.700 -0.006 0.000 1.039 483 T CA 1.117 63.208 62.100 -0.015 0.000 1.142 483 T CB -0.160 68.697 68.868 -0.019 0.000 0.866 483 T HN 0.299 nan 8.240 nan 0.000 0.444 484 E N 0.992 121.187 120.200 -0.007 0.000 2.058 484 E HA -0.076 4.273 4.350 -0.000 0.000 0.194 484 E C 2.311 178.911 176.600 0.001 0.000 0.997 484 E CA 0.907 57.305 56.400 -0.003 0.000 0.801 484 E CB -0.437 29.259 29.700 -0.007 0.000 0.746 484 E HN 0.524 nan 8.360 nan 0.000 0.450 485 I N 0.608 121.177 120.570 -0.002 0.000 2.151 485 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 485 I C 2.846 178.974 176.117 0.019 0.000 1.080 485 I CA 1.308 62.610 61.300 0.004 0.000 1.339 485 I CB -0.351 37.650 38.000 0.002 0.000 1.039 485 I HN 0.057 nan 8.210 nan 0.000 0.409 486 R N 0.994 121.505 120.500 0.020 0.000 2.070 486 R HA -0.180 4.160 4.340 -0.000 0.000 0.233 486 R C 2.213 178.540 176.300 0.045 0.000 1.137 486 R CA 1.865 57.987 56.100 0.037 0.000 0.945 486 R CB -0.062 30.249 30.300 0.019 0.000 0.845 486 R HN 0.402 nan 8.270 nan 0.000 0.430 487 E N -0.350 119.867 120.200 0.029 0.000 2.076 487 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 487 E C 2.063 178.679 176.600 0.027 0.000 0.979 487 E CA 0.626 57.044 56.400 0.030 0.000 0.807 487 E CB 0.200 29.911 29.700 0.018 0.000 0.761 487 E HN 0.131 nan 8.360 nan 0.000 0.454 488 K N -0.263 120.148 120.400 0.019 0.000 2.062 488 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 488 K C 1.521 178.131 176.600 0.017 0.000 1.051 488 K CA 1.032 57.327 56.287 0.015 0.000 0.941 488 K CB -0.252 32.252 32.500 0.008 0.000 0.719 488 K HN 0.310 nan 8.250 nan 0.000 0.440 489 G N 2.127 110.939 108.800 0.020 0.000 2.179 489 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 489 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 489 G C -0.133 174.775 174.900 0.014 0.000 1.010 489 G CA 0.849 45.962 45.100 0.022 0.000 0.736 489 G HN 0.402 nan 8.290 nan 0.000 0.513 490 E N -0.771 119.435 120.200 0.009 0.000 2.388 490 E HA 0.407 4.757 4.350 -0.000 0.000 0.289 490 E C -0.353 176.246 176.600 -0.001 0.000 0.944 490 E CA -0.953 55.450 56.400 0.005 0.000 0.792 490 E CB 0.752 30.456 29.700 0.007 0.000 1.239 490 E HN 0.168 nan 8.360 nan 0.000 0.412 491 L N 4.175 125.395 121.223 -0.005 0.000 2.342 491 L HA 0.220 4.560 4.340 -0.000 0.000 0.285 491 L C 0.502 177.365 176.870 -0.012 0.000 1.095 491 L CA -0.184 54.645 54.840 -0.018 0.000 0.843 491 L CB 0.432 42.472 42.059 -0.031 0.000 1.201 491 L HN 0.514 nan 8.230 nan 0.000 0.445 492 S N 2.228 117.921 115.700 -0.011 0.000 2.632 492 S HA 0.237 4.707 4.470 -0.000 0.000 0.267 492 S C 0.986 175.582 174.600 -0.008 0.000 1.276 492 S CA -0.822 57.375 58.200 -0.006 0.000 0.998 492 S CB 1.406 64.604 63.200 -0.003 0.000 0.953 492 S HN 0.562 nan 8.310 nan 0.000 0.547 493 K N 0.278 120.678 120.400 -0.001 0.000 2.218 493 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 493 K C 1.989 178.588 176.600 -0.002 0.000 1.046 493 K CA 1.748 58.036 56.287 0.002 0.000 0.933 493 K CB -0.214 32.290 32.500 0.007 0.000 0.728 493 K HN 0.740 nan 8.250 nan 0.000 0.454 494 E N 1.172 121.371 120.200 -0.003 0.000 2.047 494 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 494 E C 1.784 178.377 176.600 -0.011 0.000 0.987 494 E CA 1.078 57.477 56.400 -0.003 0.000 0.799 494 E CB -0.075 29.625 29.700 -0.001 0.000 0.752 494 E HN 0.186 nan 8.360 nan 0.000 0.449 495 L N -0.005 121.205 121.223 -0.021 0.000 2.056 495 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 495 L C 2.560 179.386 176.870 -0.072 0.000 1.078 495 L CA 0.725 55.541 54.840 -0.039 0.000 0.749 495 L CB -0.478 41.557 42.059 -0.039 0.000 0.901 495 L HN 0.196 nan 8.230 nan 0.000 0.433 496 L N -0.040 121.141 121.223 -0.069 0.000 2.013 496 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 496 L C 2.904 179.724 176.870 -0.083 0.000 1.073 496 L CA 1.442 56.223 54.840 -0.098 0.000 0.753 496 L CB -0.706 41.331 42.059 -0.037 0.000 0.890 496 L HN 0.282 nan 8.230 nan 0.000 0.432 497 A N -0.830 121.972 122.820 -0.031 0.000 1.877 497 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 497 A C 2.476 180.052 177.584 -0.013 0.000 1.186 497 A CA 2.057 54.092 52.037 -0.004 0.000 0.620 497 A CB -0.666 18.341 19.000 0.012 0.000 0.822 497 A HN 0.400 nan 8.150 nan 0.000 0.443 498 S N -0.403 115.283 115.700 -0.023 0.000 2.382 498 S HA -0.152 4.318 4.470 -0.000 0.000 0.228 498 S C 1.841 176.393 174.600 -0.080 0.000 1.027 498 S CA 1.468 59.658 58.200 -0.017 0.000 0.991 498 S CB -0.432 62.769 63.200 0.002 0.000 0.823 498 S HN 0.490 nan 8.310 nan 0.000 0.469 499 L N 2.053 123.193 121.223 -0.139 0.000 2.093 499 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 499 L C 2.163 178.910 176.870 -0.204 0.000 1.085 499 L CA 1.755 56.453 54.840 -0.238 0.000 0.755 499 L CB -0.544 41.272 42.059 -0.406 0.000 0.904 499 L HN 0.035 nan 8.230 nan 0.000 0.435 500 K N -0.620 119.710 120.400 -0.118 0.000 2.032 500 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 500 K C 2.029 178.704 176.600 0.125 0.000 1.048 500 K CA 1.874 58.212 56.287 0.084 0.000 0.927 500 K CB -0.208 32.368 32.500 0.126 0.000 0.712 500 K HN 0.430 nan 8.250 nan 0.000 0.441 501 S N 0.443 116.185 115.700 0.069 0.000 2.362 501 S HA -0.030 4.440 4.470 -0.000 0.000 0.221 501 S C 2.058 176.702 174.600 0.074 0.000 1.032 501 S CA 0.949 59.204 58.200 0.091 0.000 0.973 501 S CB -0.200 63.052 63.200 0.087 0.000 0.849 501 S HN 0.487 nan 8.310 nan 0.000 0.465 502 A N 1.480 124.255 122.820 -0.074 0.000 1.948 502 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 502 A C 2.266 179.886 177.584 0.059 0.000 1.177 502 A CA 2.240 54.091 52.037 -0.311 0.000 0.636 502 A CB -1.334 17.110 19.000 -0.926 0.000 0.815 502 A HN 0.496 nan 8.150 nan 0.000 0.449 503 T N -0.059 114.587 114.554 0.152 0.000 2.732 503 T HA -0.107 4.243 4.350 -0.000 0.000 0.261 503 T C 1.702 176.604 174.700 0.337 0.000 1.040 503 T CA 1.382 63.685 62.100 0.339 0.000 1.145 503 T CB -0.334 68.630 68.868 0.160 0.000 0.866 503 T HN 0.656 nan 8.240 nan 0.000 0.427 504 E N 1.356 121.726 120.200 0.282 0.000 2.219 504 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 504 E C 2.458 179.178 176.600 0.200 0.000 0.998 504 E CA 1.070 57.633 56.400 0.272 0.000 0.818 504 E CB -0.217 29.613 29.700 0.216 0.000 0.741 504 E HN 0.371 nan 8.360 nan 0.000 0.477 505 S N 0.831 116.644 115.700 0.188 0.000 2.348 505 S HA -0.157 4.312 4.470 -0.000 0.000 0.221 505 S C 1.600 176.205 174.600 0.009 0.000 1.033 505 S CA 0.967 59.243 58.200 0.128 0.000 1.010 505 S CB -0.336 63.011 63.200 0.244 0.000 0.891 505 S HN 0.281 nan 8.310 nan 0.000 0.442 506 F N 1.951 121.788 119.950 -0.189 0.000 2.502 506 F HA 0.010 4.537 4.527 -0.000 0.000 0.298 506 F C 1.879 177.728 175.800 0.082 0.000 1.111 506 F CA 0.354 58.221 58.000 -0.221 0.000 1.445 506 F CB -0.068 38.797 39.000 -0.226 0.000 1.081 506 F HN -0.060 nan 8.300 nan 0.000 0.558 507 V N -0.226 119.860 119.914 0.286 0.000 2.626 507 V HA -0.253 3.867 4.120 -0.000 0.000 0.252 507 V C 2.464 178.600 176.094 0.070 0.000 1.067 507 V CA 1.625 64.060 62.300 0.224 0.000 1.081 507 V CB -1.211 30.745 31.823 0.221 0.000 0.686 507 V HN 0.412 nan 8.190 nan 0.000 0.468 508 A N -1.926 120.902 122.820 0.013 0.000 2.030 508 A HA 0.164 4.484 4.320 -0.000 0.000 0.215 508 A C 1.133 178.644 177.584 -0.123 0.000 1.164 508 A CA 1.212 53.228 52.037 -0.035 0.000 0.697 508 A CB -0.082 18.910 19.000 -0.012 0.000 0.827 508 A HN 0.502 nan 8.150 nan 0.000 0.457 509 T N 0.000 114.393 114.554 -0.268 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.805 62.100 -0.491 0.000 1.349 509 T CB 0.000 68.616 68.868 -0.419 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658