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 2y7h_1_C DATA FIRST_RESID 1 DATA SEQUENCE MNNNDLVAKL WKLCDNLRDG GVSYQNYVNE LASLLFLKMC KETGQEAEYL DATA SEQUENCE PEGYRWDDLK SRIGQEQLQF YRKMLVHLGE DDKKLVQAVF HNVSTTITEP DATA SEQUENCE KQITALVSNM DSLDWYNGAH GKSRDDFGDM YEGLLQKNAN ETKSGAGQYF DATA SEQUENCE TPRPLIKTII HLLKPQPREV VQDPAAGTAG FLIEADRYVK SQTNDLDDLD DATA SEQUENCE GDTQDFQIHR AFIGLELVPG TRRLALMNCL LHDIEGNLDH GGAIRLGNTL DATA SEQUENCE GSDGENLPKA HIVATNPPFG SAAGTNITRT FVHPTSNKQL CFMQHIIETL DATA SEQUENCE HPGGRAAVVV PDNVLFEGGK GTDIRRDLMD KCHLHTILRL PTGIFYAQGV DATA SEQUENCE KTNVLFFTKG TVANPNQDKN CTDDVWVYDL RTNMPSFGKR TPFTDEHLQP DATA SEQUENCE FERVYGEDPH GLSPRTEGEW SFNAEETEVA DSEENKNTDQ HLATSRWRKF DATA SEQUENCE SREWIRTAKS DSLDISWLKD KDSIDADSLP EPDVLAAEAM GELVQALSEL DATA SEQUENCE DALMRELGAS DEADLQRQLL EEAFGGVKE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.334 176.300 0.056 0.000 1.140 1 M CA 0.000 55.350 55.300 0.084 0.000 0.988 1 M CB 0.000 32.652 32.600 0.086 0.000 1.302 2 N N 1.404 120.133 118.700 0.048 0.000 2.610 2 N HA 0.719 5.446 4.740 -0.022 0.000 0.264 2 N C -1.898 173.632 175.510 0.032 0.000 1.348 2 N CA -0.532 52.539 53.050 0.034 0.000 0.819 2 N CB 2.032 40.532 38.487 0.021 0.000 1.521 2 N HN 0.684 nan 8.380 nan 0.000 0.497 3 N N 0.876 119.591 118.700 0.026 0.000 2.708 3 N HA 0.292 5.019 4.740 -0.022 0.000 0.257 3 N C -1.227 174.294 175.510 0.018 0.000 1.373 3 N CA -0.547 52.518 53.050 0.024 0.000 0.843 3 N CB 2.492 41.000 38.487 0.034 0.000 1.503 3 N HN 0.779 nan 8.380 nan 0.000 0.504 4 N N -0.526 118.188 118.700 0.024 0.000 2.448 4 N HA 0.008 4.735 4.740 -0.022 0.000 0.203 4 N C -0.557 174.979 175.510 0.043 0.000 1.794 4 N CA -0.170 52.895 53.050 0.025 0.000 1.445 4 N CB 0.039 38.543 38.487 0.029 0.000 1.055 4 N HN 0.353 nan 8.380 nan 0.000 0.859 5 D N 1.343 121.801 120.400 0.097 0.000 2.117 5 D HA -0.096 4.531 4.640 -0.022 0.000 0.197 5 D C 1.886 178.249 176.300 0.106 0.000 0.987 5 D CA 0.839 54.927 54.000 0.146 0.000 0.829 5 D CB -0.064 41.001 40.800 0.442 0.000 0.961 5 D HN 0.226 nan 8.370 nan 0.000 0.460 6 L N 0.859 122.168 121.223 0.143 0.000 2.046 6 L HA -0.111 4.216 4.340 -0.022 0.000 0.208 6 L C 2.360 179.268 176.870 0.062 0.000 1.077 6 L CA 1.196 56.092 54.840 0.094 0.000 0.747 6 L CB -0.585 41.485 42.059 0.019 0.000 0.896 6 L HN -0.105 nan 8.230 nan 0.000 0.432 7 V N -0.310 119.640 119.914 0.059 0.000 2.407 7 V HA -0.267 3.840 4.120 -0.022 0.000 0.248 7 V C 2.568 178.720 176.094 0.097 0.000 1.055 7 V CA 1.863 64.208 62.300 0.074 0.000 1.049 7 V CB -0.562 31.293 31.823 0.052 0.000 0.662 7 V HN 0.569 nan 8.190 nan 0.000 0.455 8 A N -0.480 122.373 122.820 0.054 0.000 1.902 8 A HA -0.266 4.041 4.320 -0.022 0.000 0.217 8 A C 2.332 180.001 177.584 0.141 0.000 1.181 8 A CA 2.214 54.289 52.037 0.063 0.000 0.623 8 A CB -0.646 18.344 19.000 -0.016 0.000 0.818 8 A HN 0.626 nan 8.150 nan 0.000 0.443 9 K N -0.872 119.560 120.400 0.053 0.000 2.057 9 K HA -0.120 4.187 4.320 -0.022 0.000 0.207 9 K C 1.704 178.348 176.600 0.073 0.000 1.049 9 K CA 1.384 57.682 56.287 0.019 0.000 0.931 9 K CB -0.262 32.201 32.500 -0.062 0.000 0.714 9 K HN 0.315 nan 8.250 nan 0.000 0.440 10 L N -0.278 121.008 121.223 0.104 0.000 2.093 10 L HA -0.135 4.192 4.340 -0.022 0.000 0.208 10 L C 2.027 178.952 176.870 0.091 0.000 1.085 10 L CA 1.477 56.382 54.840 0.108 0.000 0.755 10 L CB -0.835 41.308 42.059 0.141 0.000 0.904 10 L HN 0.402 nan 8.230 nan 0.000 0.435 11 W N 1.065 122.334 121.300 -0.052 0.000 2.338 11 W HA -0.234 4.409 4.660 -0.028 0.000 0.304 11 W C 2.407 178.857 176.519 -0.116 0.000 1.212 11 W CA 1.714 59.005 57.345 -0.090 0.000 1.264 11 W CB -0.031 29.390 29.460 -0.065 0.000 1.142 11 W HN 0.014 nan 8.180 nan 0.000 0.512 12 K N 0.001 120.418 120.400 0.029 0.000 2.097 12 K HA -0.174 4.132 4.320 -0.022 0.000 0.206 12 K C 2.000 178.423 176.600 -0.296 0.000 1.049 12 K CA 1.790 57.960 56.287 -0.195 0.000 0.933 12 K CB -0.669 31.839 32.500 0.012 0.000 0.717 12 K HN 0.270 nan 8.250 nan 0.000 0.442 13 L N 0.481 121.595 121.223 -0.182 0.000 2.131 13 L HA -0.229 4.098 4.340 -0.022 0.000 0.210 13 L C 2.420 179.135 176.870 -0.259 0.000 1.092 13 L CA 0.766 55.512 54.840 -0.157 0.000 0.759 13 L CB -0.583 41.442 42.059 -0.057 0.000 0.903 13 L HN 0.320 nan 8.230 nan 0.000 0.435 14 C N -0.275 118.770 119.300 -0.425 0.000 2.419 14 C HA -0.169 4.278 4.460 -0.022 0.000 0.281 14 C C 2.468 177.040 174.990 -0.696 0.000 1.336 14 C CA 0.703 59.308 59.018 -0.688 0.000 1.770 14 C CB -0.838 26.203 27.740 -1.165 0.000 1.929 14 C HN 0.566 nan 8.230 nan 0.000 0.509 15 D N 1.279 121.306 120.400 -0.621 0.000 2.123 15 D HA -0.128 4.498 4.640 -0.022 0.000 0.196 15 D C 1.945 178.083 176.300 -0.270 0.000 0.992 15 D CA 1.329 55.045 54.000 -0.473 0.000 0.833 15 D CB -0.414 40.133 40.800 -0.421 0.000 0.954 15 D HN 0.443 nan 8.370 nan 0.000 0.455 16 N N -0.001 118.572 118.700 -0.212 0.000 2.120 16 N HA -0.116 4.610 4.740 -0.022 0.000 0.188 16 N C 2.156 177.615 175.510 -0.085 0.000 1.024 16 N CA 0.582 53.557 53.050 -0.126 0.000 0.852 16 N CB -0.293 38.133 38.487 -0.101 0.000 1.003 16 N HN 0.329 nan 8.380 nan 0.000 0.424 17 L N 0.901 122.087 121.223 -0.061 0.000 2.046 17 L HA -0.117 4.210 4.340 -0.022 0.000 0.208 17 L C 2.732 179.668 176.870 0.111 0.000 1.077 17 L CA 0.963 55.848 54.840 0.076 0.000 0.747 17 L CB -0.355 41.896 42.059 0.320 0.000 0.896 17 L HN 0.164 nan 8.230 nan 0.000 0.432 18 R N 0.324 120.879 120.500 0.092 0.000 2.073 18 R HA -0.186 4.141 4.340 -0.022 0.000 0.234 18 R C 1.828 178.096 176.300 -0.054 0.000 1.134 18 R CA 2.014 58.108 56.100 -0.009 0.000 0.952 18 R CB -0.139 30.087 30.300 -0.122 0.000 0.850 18 R HN 0.324 nan 8.270 nan 0.000 0.433 19 D N -0.779 119.586 120.400 -0.059 0.000 2.219 19 D HA -0.067 4.560 4.640 -0.022 0.000 0.205 19 D C 1.658 177.935 176.300 -0.039 0.000 0.970 19 D CA 1.294 55.267 54.000 -0.046 0.000 0.851 19 D CB -0.280 40.489 40.800 -0.053 0.000 0.943 19 D HN 0.526 nan 8.370 nan 0.000 0.488 20 G N -0.049 108.726 108.800 -0.041 0.000 2.422 20 G HA2 0.048 3.995 3.960 -0.022 0.000 0.218 20 G HA3 0.048 3.995 3.960 -0.022 0.000 0.218 20 G C 1.288 176.166 174.900 -0.037 0.000 1.140 20 G CA 1.093 46.169 45.100 -0.038 0.000 0.775 20 G HN 0.488 nan 8.290 nan 0.000 0.545 21 G N -1.841 106.931 108.800 -0.047 0.000 2.229 21 G HA2 -0.171 3.776 3.960 -0.022 0.000 0.189 21 G HA3 -0.171 3.776 3.960 -0.022 0.000 0.189 21 G C 0.229 175.082 174.900 -0.079 0.000 1.000 21 G CA 0.013 45.084 45.100 -0.049 0.000 0.663 21 G HN 0.637 nan 8.290 nan 0.000 0.493 22 V N 1.763 121.616 119.914 -0.101 0.000 2.715 22 V HA 0.556 4.663 4.120 -0.022 0.000 0.299 22 V C 1.336 177.219 176.094 -0.351 0.000 1.054 22 V CA 0.673 62.870 62.300 -0.172 0.000 1.077 22 V CB 1.526 33.265 31.823 -0.139 0.000 0.972 22 V HN 0.508 nan 8.190 nan 0.000 0.484 23 S N 2.205 117.685 115.700 -0.368 0.000 2.632 23 S HA 0.269 4.726 4.470 -0.022 0.000 0.267 23 S C 0.768 174.829 174.600 -0.899 0.000 1.276 23 S CA -0.219 57.736 58.200 -0.409 0.000 0.998 23 S CB 0.360 63.466 63.200 -0.157 0.000 0.953 23 S HN 0.517 nan 8.310 nan 0.000 0.547 24 Y N 0.991 120.939 120.300 -0.587 0.000 2.224 24 Y HA -0.113 4.433 4.550 -0.008 0.000 0.289 24 Y C 2.750 178.420 175.900 -0.383 0.000 1.146 24 Y CA 1.811 59.554 58.100 -0.596 0.000 1.182 24 Y CB -0.373 38.107 38.460 0.034 0.000 0.983 24 Y HN 0.738 nan 8.280 nan 0.000 0.524 25 Q N 0.364 120.129 119.800 -0.058 0.000 2.124 25 Q HA -0.181 4.146 4.340 -0.022 0.000 0.202 25 Q C 0.667 176.621 176.000 -0.078 0.000 0.977 25 Q CA 1.519 57.319 55.803 -0.005 0.000 0.850 25 Q CB -0.037 28.729 28.738 0.047 0.000 0.901 25 Q HN 0.401 nan 8.270 nan 0.000 0.429 26 N N -0.293 118.291 118.700 -0.194 0.000 2.295 26 N HA 0.003 4.730 4.740 -0.022 0.000 0.221 26 N C 0.127 175.574 175.510 -0.105 0.000 1.129 26 N CA 0.108 53.085 53.050 -0.122 0.000 0.836 26 N CB 0.219 38.642 38.487 -0.107 0.000 1.040 26 N HN 0.305 nan 8.380 nan 0.000 0.494 27 Y N 0.946 121.246 120.300 0.000 0.000 2.163 27 Y HA -0.180 4.355 4.550 -0.025 0.000 0.288 27 Y C 2.502 178.428 175.900 0.044 0.000 1.136 27 Y CA 0.846 58.938 58.100 -0.012 0.000 1.147 27 Y CB -0.807 37.634 38.460 -0.031 0.000 0.987 27 Y HN -0.028 nan 8.280 nan 0.000 0.509 28 V N -0.756 119.274 119.914 0.194 0.000 2.343 28 V HA -0.291 3.816 4.120 -0.022 0.000 0.247 28 V C 2.067 178.430 176.094 0.449 0.000 1.051 28 V CA 2.341 64.754 62.300 0.189 0.000 1.036 28 V CB -1.001 30.650 31.823 -0.286 0.000 0.654 28 V HN 0.533 nan 8.190 nan 0.000 0.451 29 N N 0.410 119.267 118.700 0.262 0.000 2.104 29 N HA -0.242 4.484 4.740 -0.022 0.000 0.190 29 N C 1.922 177.542 175.510 0.183 0.000 1.024 29 N CA 1.987 55.157 53.050 0.199 0.000 0.853 29 N CB -0.107 38.437 38.487 0.094 0.000 1.008 29 N HN 0.620 nan 8.380 nan 0.000 0.424 30 E N 1.107 121.409 120.200 0.170 0.000 2.051 30 E HA -0.125 4.212 4.350 -0.022 0.000 0.192 30 E C 2.306 179.017 176.600 0.183 0.000 0.991 30 E CA 0.584 57.076 56.400 0.154 0.000 0.799 30 E CB -0.420 29.345 29.700 0.108 0.000 0.748 30 E HN 0.486 nan 8.360 nan 0.000 0.449 31 L N 0.520 121.879 121.223 0.227 0.000 2.056 31 L HA -0.125 4.202 4.340 -0.022 0.000 0.207 31 L C 2.595 179.605 176.870 0.232 0.000 1.078 31 L CA 1.053 56.034 54.840 0.235 0.000 0.749 31 L CB -0.605 41.623 42.059 0.282 0.000 0.901 31 L HN 0.058 nan 8.230 nan 0.000 0.433 32 A N 0.490 123.441 122.820 0.219 0.000 1.902 32 A HA -0.236 4.071 4.320 -0.022 0.000 0.217 32 A C 2.562 180.196 177.584 0.084 0.000 1.181 32 A CA 2.157 54.185 52.037 -0.014 0.000 0.623 32 A CB -0.727 18.083 19.000 -0.317 0.000 0.818 32 A HN 0.536 nan 8.150 nan 0.000 0.443 33 S N 0.211 116.004 115.700 0.154 0.000 2.356 33 S HA -0.119 4.338 4.470 -0.022 0.000 0.223 33 S C 1.921 176.780 174.600 0.432 0.000 1.032 33 S CA 1.515 59.882 58.200 0.278 0.000 1.005 33 S CB -0.844 62.581 63.200 0.376 0.000 0.867 33 S HN 0.447 nan 8.310 nan 0.000 0.449 34 L N 0.866 122.317 121.223 0.379 0.000 2.046 34 L HA -0.021 4.306 4.340 -0.022 0.000 0.208 34 L C 2.723 179.844 176.870 0.419 0.000 1.077 34 L CA 1.156 56.266 54.840 0.449 0.000 0.747 34 L CB -0.720 41.540 42.059 0.335 0.000 0.896 34 L HN 0.310 nan 8.230 nan 0.000 0.432 35 L N -1.260 120.101 121.223 0.230 0.000 2.083 35 L HA -0.246 4.081 4.340 -0.022 0.000 0.209 35 L C 2.594 179.457 176.870 -0.011 0.000 1.083 35 L CA 1.223 56.084 54.840 0.036 0.000 0.752 35 L CB -0.571 41.501 42.059 0.021 0.000 0.899 35 L HN 0.175 nan 8.230 nan 0.000 0.433 36 F N 0.875 120.836 119.950 0.018 0.000 2.102 36 F HA -0.233 4.281 4.527 -0.022 0.000 0.298 36 F C 2.221 178.050 175.800 0.049 0.000 1.105 36 F CA 1.577 59.587 58.000 0.017 0.000 1.239 36 F CB -0.175 38.887 39.000 0.103 0.000 0.991 36 F HN -0.131 nan 8.300 nan 0.000 0.474 37 L N -0.004 121.384 121.223 0.275 0.000 2.046 37 L HA -0.215 4.112 4.340 -0.022 0.000 0.208 37 L C 2.465 179.326 176.870 -0.015 0.000 1.077 37 L CA 1.700 56.693 54.840 0.255 0.000 0.747 37 L CB -0.817 41.602 42.059 0.601 0.000 0.896 37 L HN 0.101 nan 8.230 nan 0.000 0.432 38 K N 0.269 120.449 120.400 -0.367 0.000 2.026 38 K HA -0.168 4.139 4.320 -0.022 0.000 0.208 38 K C 2.104 178.214 176.600 -0.817 0.000 1.048 38 K CA 1.576 57.026 56.287 -1.396 0.000 0.929 38 K CB -0.095 31.431 32.500 -1.622 0.000 0.713 38 K HN 0.039 nan 8.250 nan 0.000 0.439 39 M N 0.114 119.366 119.600 -0.580 0.000 2.159 39 M HA -0.157 4.310 4.480 -0.022 0.000 0.263 39 M C 2.441 178.491 176.300 -0.416 0.000 1.063 39 M CA 1.177 56.217 55.300 -0.432 0.000 1.110 39 M CB -1.281 31.083 32.600 -0.393 0.000 1.374 39 M HN 0.239 nan 8.290 nan 0.000 0.411 40 C N 0.380 119.355 119.300 -0.542 0.000 2.413 40 C HA -0.167 4.280 4.460 -0.022 0.000 0.276 40 C C 2.840 177.674 174.990 -0.260 0.000 1.248 40 C CA 1.000 59.714 59.018 -0.508 0.000 1.742 40 C CB -0.991 26.471 27.740 -0.463 0.000 2.017 40 C HN 0.567 nan 8.230 nan 0.000 0.481 41 K N 0.799 121.066 120.400 -0.220 0.000 2.057 41 K HA -0.161 4.146 4.320 -0.022 0.000 0.207 41 K C 1.972 178.499 176.600 -0.121 0.000 1.049 41 K CA 1.366 57.578 56.287 -0.126 0.000 0.931 41 K CB -0.131 32.274 32.500 -0.159 0.000 0.714 41 K HN 0.393 nan 8.250 nan 0.000 0.440 42 E N 0.256 120.354 120.200 -0.170 0.000 2.153 42 E HA -0.140 4.197 4.350 -0.022 0.000 0.194 42 E C 1.991 178.592 176.600 0.003 0.000 0.988 42 E CA 1.396 57.784 56.400 -0.021 0.000 0.811 42 E CB -0.403 29.409 29.700 0.187 0.000 0.746 42 E HN 0.386 nan 8.360 nan 0.000 0.466 43 T N -0.702 113.810 114.554 -0.069 0.000 2.684 43 T HA -0.093 4.244 4.350 -0.022 0.000 0.267 43 T C 1.553 176.249 174.700 -0.006 0.000 1.036 43 T CA 2.038 64.102 62.100 -0.059 0.000 1.148 43 T CB -0.277 68.525 68.868 -0.111 0.000 0.863 43 T HN 0.488 nan 8.240 nan 0.000 0.436 44 G N 0.181 108.984 108.800 0.005 0.000 2.232 44 G HA2 -0.270 3.677 3.960 -0.022 0.000 0.226 44 G HA3 -0.270 3.677 3.960 -0.022 0.000 0.226 44 G C 0.798 175.734 174.900 0.061 0.000 0.996 44 G CA 0.444 45.562 45.100 0.030 0.000 0.626 44 G HN 0.521 nan 8.290 nan 0.000 0.509 45 Q N 0.694 120.553 119.800 0.099 0.000 2.444 45 Q HA 0.190 4.517 4.340 -0.022 0.000 0.206 45 Q C 2.231 178.388 176.000 0.261 0.000 0.948 45 Q CA 0.900 56.810 55.803 0.177 0.000 0.946 45 Q CB -0.077 28.809 28.738 0.247 0.000 1.027 45 Q HN 0.886 nan 8.270 nan 0.000 0.513 46 E N 0.553 120.872 120.200 0.198 0.000 2.187 46 E HA -0.290 4.046 4.350 -0.022 0.000 0.199 46 E C 1.759 178.488 176.600 0.214 0.000 1.004 46 E CA 1.278 57.806 56.400 0.213 0.000 0.813 46 E CB -0.293 29.466 29.700 0.098 0.000 0.736 46 E HN 0.321 nan 8.360 nan 0.000 0.468 47 A N 1.552 124.458 122.820 0.143 0.000 1.940 47 A HA -0.265 4.042 4.320 -0.022 0.000 0.219 47 A C 2.017 179.657 177.584 0.092 0.000 1.176 47 A CA 1.805 53.906 52.037 0.106 0.000 0.631 47 A CB -0.483 18.560 19.000 0.071 0.000 0.814 47 A HN 0.406 nan 8.150 nan 0.000 0.446 48 E N -1.377 118.863 120.200 0.067 0.000 2.031 48 E HA -0.200 4.137 4.350 -0.022 0.000 0.193 48 E C 1.897 178.453 176.600 -0.073 0.000 0.994 48 E CA 1.641 58.009 56.400 -0.053 0.000 0.800 48 E CB -0.342 29.242 29.700 -0.195 0.000 0.752 48 E HN 0.814 nan 8.360 nan 0.000 0.447 49 Y N 0.716 121.058 120.300 0.071 0.000 2.153 49 Y HA -0.031 4.506 4.550 -0.022 0.000 0.289 49 Y C 1.355 177.332 175.900 0.129 0.000 1.127 49 Y CA 0.573 58.739 58.100 0.110 0.000 1.131 49 Y CB -0.048 38.476 38.460 0.106 0.000 0.995 49 Y HN -0.090 nan 8.280 nan 0.000 0.505 50 L N 1.276 122.673 121.223 0.290 0.000 2.352 50 L HA 0.368 4.695 4.340 -0.022 0.000 0.269 50 L C -2.241 174.729 176.870 0.167 0.000 1.034 50 L CA -2.328 52.642 54.840 0.216 0.000 0.806 50 L CB 1.255 43.436 42.059 0.205 0.000 1.244 50 L HN -0.131 nan 8.230 nan 0.000 0.447 51 P HA 0.108 nan 4.420 nan 0.000 0.276 51 P C -1.017 176.395 177.300 0.186 0.000 1.244 51 P CA -0.490 62.710 63.100 0.166 0.000 0.801 51 P CB 0.796 32.605 31.700 0.183 0.000 1.006 52 E N -0.175 120.115 120.200 0.151 0.000 2.366 52 E HA 0.331 4.668 4.350 -0.022 0.000 0.266 52 E C 0.981 177.640 176.600 0.099 0.000 1.051 52 E CA 0.355 56.820 56.400 0.108 0.000 0.884 52 E CB -0.214 29.527 29.700 0.068 0.000 1.006 52 E HN 0.748 nan 8.360 nan 0.000 0.417 53 G N 3.084 111.876 108.800 -0.013 0.000 2.299 53 G HA2 -0.286 3.661 3.960 -0.022 0.000 0.237 53 G HA3 -0.286 3.661 3.960 -0.022 0.000 0.237 53 G C -0.396 174.247 174.900 -0.428 0.000 1.027 53 G CA 0.325 45.289 45.100 -0.227 0.000 0.619 53 G HN 0.520 nan 8.290 nan 0.000 0.513 54 Y N 1.889 122.202 120.300 0.021 0.000 2.555 54 Y HA 0.685 5.222 4.550 -0.022 0.000 0.326 54 Y C 0.733 176.687 175.900 0.091 0.000 0.984 54 Y CA -0.375 57.759 58.100 0.056 0.000 1.298 54 Y CB 0.877 39.274 38.460 -0.105 0.000 1.094 54 Y HN 0.659 nan 8.280 nan 0.000 0.500 55 R N -0.223 120.409 120.500 0.220 0.000 2.870 55 R HA 0.308 4.635 4.340 -0.022 0.000 0.262 55 R C 0.373 176.814 176.300 0.235 0.000 1.112 55 R CA -0.956 55.273 56.100 0.215 0.000 0.976 55 R CB 0.562 30.962 30.300 0.167 0.000 1.261 55 R HN 0.531 nan 8.270 nan 0.000 0.453 56 W N 1.014 122.355 121.300 0.069 0.000 2.355 56 W HA -0.149 4.497 4.660 -0.023 0.000 0.309 56 W C 0.309 176.844 176.519 0.026 0.000 1.206 56 W CA 2.251 59.628 57.345 0.054 0.000 1.284 56 W CB -0.183 29.282 29.460 0.010 0.000 1.145 56 W HN 0.652 nan 8.180 nan 0.000 0.502 57 D N 0.551 121.016 120.400 0.108 0.000 2.144 57 D HA -0.183 4.444 4.640 -0.022 0.000 0.199 57 D C 1.684 177.878 176.300 -0.177 0.000 0.984 57 D CA 1.652 55.627 54.000 -0.041 0.000 0.834 57 D CB -0.692 40.121 40.800 0.022 0.000 0.955 57 D HN 0.158 nan 8.370 nan 0.000 0.465 58 D N 0.129 120.440 120.400 -0.149 0.000 2.104 58 D HA -0.137 4.490 4.640 -0.022 0.000 0.194 58 D C 2.187 178.163 176.300 -0.540 0.000 0.994 58 D CA 0.500 54.300 54.000 -0.333 0.000 0.830 58 D CB -0.250 40.423 40.800 -0.213 0.000 0.959 58 D HN 0.160 nan 8.370 nan 0.000 0.452 59 L N 1.348 122.424 121.223 -0.245 0.000 2.056 59 L HA -0.109 4.218 4.340 -0.022 0.000 0.207 59 L C 2.191 178.859 176.870 -0.336 0.000 1.078 59 L CA 1.708 56.457 54.840 -0.151 0.000 0.749 59 L CB -0.457 41.639 42.059 0.062 0.000 0.901 59 L HN -0.142 nan 8.230 nan 0.000 0.433 60 K N -0.651 119.441 120.400 -0.512 0.000 2.032 60 K HA -0.194 4.113 4.320 -0.022 0.000 0.209 60 K C 2.152 178.570 176.600 -0.303 0.000 1.048 60 K CA 1.817 57.791 56.287 -0.521 0.000 0.927 60 K CB -0.263 31.878 32.500 -0.599 0.000 0.712 60 K HN 0.586 nan 8.250 nan 0.000 0.441 61 S N 0.442 115.978 115.700 -0.273 0.000 2.382 61 S HA -0.099 4.358 4.470 -0.022 0.000 0.228 61 S C 0.941 175.420 174.600 -0.202 0.000 1.027 61 S CA 0.242 58.318 58.200 -0.207 0.000 0.991 61 S CB -0.356 62.723 63.200 -0.201 0.000 0.823 61 S HN 0.257 nan 8.310 nan 0.000 0.469 62 R N 0.588 120.934 120.500 -0.256 0.000 2.679 62 R HA 0.653 4.980 4.340 -0.022 0.000 0.269 62 R C -0.289 175.931 176.300 -0.134 0.000 1.076 62 R CA 0.012 55.989 56.100 -0.206 0.000 1.160 62 R CB 0.472 30.625 30.300 -0.246 0.000 1.054 62 R HN 0.431 nan 8.270 nan 0.000 0.507 63 I N -0.467 120.048 120.570 -0.091 0.000 2.994 63 I HA 0.467 4.623 4.170 -0.022 0.000 0.306 63 I C 0.125 176.218 176.117 -0.041 0.000 1.195 63 I CA 0.121 61.381 61.300 -0.066 0.000 1.001 63 I CB 2.002 39.964 38.000 -0.063 0.000 1.244 63 I HN 0.795 nan 8.210 nan 0.000 0.437 64 G N 4.296 113.077 108.800 -0.033 0.000 2.562 64 G HA2 -0.240 3.707 3.960 -0.022 0.000 0.250 64 G HA3 -0.240 3.707 3.960 -0.022 0.000 0.250 64 G C 0.375 175.273 174.900 -0.004 0.000 1.269 64 G CA 0.326 45.414 45.100 -0.020 0.000 0.919 64 G HN 0.631 nan 8.290 nan 0.000 0.574 65 Q N -0.182 119.621 119.800 0.004 0.000 2.124 65 Q HA -0.090 4.237 4.340 -0.022 0.000 0.202 65 Q C 2.518 178.540 176.000 0.036 0.000 0.977 65 Q CA 2.036 57.850 55.803 0.019 0.000 0.850 65 Q CB -0.290 28.458 28.738 0.015 0.000 0.901 65 Q HN 0.795 nan 8.270 nan 0.000 0.429 66 E N 0.652 120.866 120.200 0.023 0.000 2.085 66 E HA -0.242 4.095 4.350 -0.022 0.000 0.194 66 E C 2.009 178.651 176.600 0.069 0.000 0.994 66 E CA 1.168 57.589 56.400 0.034 0.000 0.801 66 E CB 0.091 29.790 29.700 -0.001 0.000 0.743 66 E HN 0.337 nan 8.360 nan 0.000 0.453 67 Q N 0.381 120.206 119.800 0.043 0.000 2.079 67 Q HA -0.149 4.178 4.340 -0.022 0.000 0.200 67 Q C 2.393 178.492 176.000 0.164 0.000 0.974 67 Q CA 1.070 56.916 55.803 0.073 0.000 0.840 67 Q CB -0.085 28.652 28.738 -0.002 0.000 0.898 67 Q HN 0.411 nan 8.270 nan 0.000 0.430 68 L N 0.382 121.668 121.223 0.106 0.000 2.046 68 L HA -0.245 4.082 4.340 -0.022 0.000 0.208 68 L C 2.263 179.239 176.870 0.176 0.000 1.077 68 L CA 1.516 56.429 54.840 0.122 0.000 0.747 68 L CB -0.125 41.970 42.059 0.060 0.000 0.896 68 L HN 0.362 nan 8.230 nan 0.000 0.432 69 Q N -1.068 118.814 119.800 0.138 0.000 2.119 69 Q HA -0.249 4.077 4.340 -0.022 0.000 0.201 69 Q C 2.020 178.100 176.000 0.133 0.000 0.972 69 Q CA 1.856 57.728 55.803 0.115 0.000 0.847 69 Q CB -0.238 28.553 28.738 0.088 0.000 0.903 69 Q HN 0.523 nan 8.270 nan 0.000 0.433 70 F N 0.161 120.143 119.950 0.053 0.000 2.134 70 F HA -0.272 4.241 4.527 -0.022 0.000 0.299 70 F C 2.091 177.936 175.800 0.075 0.000 1.097 70 F CA 1.320 59.343 58.000 0.039 0.000 1.264 70 F CB -0.323 38.678 39.000 0.003 0.000 1.001 70 F HN 0.063 nan 8.300 nan 0.000 0.479 71 Y N 2.165 122.489 120.300 0.040 0.000 2.181 71 Y HA -0.248 4.289 4.550 -0.022 0.000 0.288 71 Y C 2.721 178.567 175.900 -0.090 0.000 1.146 71 Y CA 2.433 60.518 58.100 -0.026 0.000 1.164 71 Y CB -0.610 37.883 38.460 0.055 0.000 0.982 71 Y HN 0.181 nan 8.280 nan 0.000 0.515 72 R N 0.500 120.992 120.500 -0.013 0.000 2.081 72 R HA -0.177 4.150 4.340 -0.022 0.000 0.235 72 R C 2.309 178.494 176.300 -0.191 0.000 1.131 72 R CA 1.915 57.963 56.100 -0.087 0.000 0.960 72 R CB -0.711 29.598 30.300 0.015 0.000 0.856 72 R HN 0.275 nan 8.270 nan 0.000 0.436 73 K N 0.865 121.147 120.400 -0.196 0.000 2.057 73 K HA -0.140 4.167 4.320 -0.022 0.000 0.207 73 K C 2.256 178.705 176.600 -0.252 0.000 1.049 73 K CA 1.730 57.908 56.287 -0.182 0.000 0.931 73 K CB -0.111 32.293 32.500 -0.161 0.000 0.714 73 K HN 0.272 nan 8.250 nan 0.000 0.440 74 M N 0.783 120.105 119.600 -0.462 0.000 2.117 74 M HA -0.160 4.307 4.480 -0.022 0.000 0.262 74 M C 1.753 177.823 176.300 -0.384 0.000 1.065 74 M CA 1.421 56.484 55.300 -0.394 0.000 1.114 74 M CB -0.008 32.298 32.600 -0.491 0.000 1.361 74 M HN 0.198 nan 8.290 nan 0.000 0.408 75 L N -0.617 120.346 121.223 -0.434 0.000 2.046 75 L HA -0.201 4.126 4.340 -0.022 0.000 0.208 75 L C 2.353 179.113 176.870 -0.182 0.000 1.077 75 L CA 0.991 55.649 54.840 -0.304 0.000 0.747 75 L CB -0.862 41.031 42.059 -0.276 0.000 0.896 75 L HN 0.197 nan 8.230 nan 0.000 0.432 76 V N -0.732 119.079 119.914 -0.171 0.000 2.343 76 V HA -0.329 3.778 4.120 -0.022 0.000 0.247 76 V C 2.412 178.411 176.094 -0.158 0.000 1.051 76 V CA 2.098 64.323 62.300 -0.127 0.000 1.036 76 V CB -0.753 31.011 31.823 -0.099 0.000 0.654 76 V HN 0.476 nan 8.190 nan 0.000 0.451 77 H N -0.161 118.711 119.070 -0.329 0.000 2.321 77 H HA -0.100 4.443 4.556 -0.022 0.000 0.300 77 H C 2.104 177.197 175.328 -0.391 0.000 1.087 77 H CA 1.884 57.666 56.048 -0.444 0.000 1.319 77 H CB -0.103 29.101 29.762 -0.930 0.000 1.379 77 H HN 0.297 nan 8.280 nan 0.000 0.501 78 L N -0.915 120.137 121.223 -0.286 0.000 2.046 78 L HA -0.089 4.238 4.340 -0.022 0.000 0.208 78 L C 2.814 179.624 176.870 -0.099 0.000 1.077 78 L CA 1.096 55.761 54.840 -0.291 0.000 0.747 78 L CB -0.773 40.847 42.059 -0.730 0.000 0.896 78 L HN 0.469 nan 8.230 nan 0.000 0.432 79 G N -0.400 108.387 108.800 -0.021 0.000 2.432 79 G HA2 -0.157 3.789 3.960 -0.022 0.000 0.219 79 G HA3 -0.157 3.789 3.960 -0.022 0.000 0.219 79 G C 0.515 175.424 174.900 0.014 0.000 1.135 79 G CA 0.279 45.424 45.100 0.075 0.000 0.767 79 G HN 0.383 nan 8.290 nan 0.000 0.550 80 E N 1.068 121.213 120.200 -0.092 0.000 2.129 80 E HA 0.487 4.824 4.350 -0.022 0.000 0.268 80 E C -1.386 175.117 176.600 -0.162 0.000 0.900 80 E CA -0.535 55.806 56.400 -0.099 0.000 0.755 80 E CB 1.407 31.036 29.700 -0.118 0.000 1.117 80 E HN 0.514 nan 8.360 nan 0.000 0.410 81 D N 0.634 120.977 120.400 -0.096 0.000 2.926 81 D HA -0.047 4.579 4.640 -0.022 0.000 0.272 81 D C -0.059 176.211 176.300 -0.049 0.000 1.172 81 D CA -0.654 53.285 54.000 -0.102 0.000 0.731 81 D CB 0.188 40.912 40.800 -0.127 0.000 1.282 81 D HN 0.192 nan 8.370 nan 0.000 0.430 82 D N -0.542 119.833 120.400 -0.042 0.000 2.178 82 D HA -0.085 4.542 4.640 -0.022 0.000 0.201 82 D C 0.005 176.298 176.300 -0.012 0.000 0.980 82 D CA 1.017 55.002 54.000 -0.026 0.000 0.842 82 D CB 0.102 40.889 40.800 -0.021 0.000 0.948 82 D HN 0.241 nan 8.370 nan 0.000 0.472 83 K N 1.258 121.656 120.400 -0.003 0.000 2.095 83 K HA 0.053 4.360 4.320 -0.022 0.000 0.258 83 K C 1.105 177.723 176.600 0.030 0.000 1.120 83 K CA -0.001 56.297 56.287 0.018 0.000 1.026 83 K CB 0.437 32.958 32.500 0.035 0.000 1.256 83 K HN -0.055 nan 8.250 nan 0.000 0.360 84 K N 1.460 121.872 120.400 0.019 0.000 2.211 84 K HA -0.049 4.258 4.320 -0.022 0.000 0.203 84 K C 1.525 178.150 176.600 0.041 0.000 1.050 84 K CA 0.898 57.196 56.287 0.017 0.000 0.945 84 K CB -0.160 32.334 32.500 -0.009 0.000 0.732 84 K HN 0.439 nan 8.250 nan 0.000 0.451 85 L N 0.386 121.643 121.223 0.057 0.000 1.970 85 L HA -0.217 4.110 4.340 -0.022 0.000 0.212 85 L C 2.335 179.266 176.870 0.101 0.000 1.071 85 L CA 1.245 56.134 54.840 0.081 0.000 0.751 85 L CB -0.559 41.562 42.059 0.103 0.000 0.889 85 L HN -0.107 nan 8.230 nan 0.000 0.432 86 V N -0.156 119.844 119.914 0.144 0.000 2.453 86 V HA -0.256 3.851 4.120 -0.022 0.000 0.247 86 V C 2.417 178.645 176.094 0.224 0.000 1.048 86 V CA 1.751 64.178 62.300 0.211 0.000 1.049 86 V CB -0.694 31.286 31.823 0.261 0.000 0.672 86 V HN 0.616 nan 8.190 nan 0.000 0.457 87 Q N 1.809 121.697 119.800 0.148 0.000 2.170 87 Q HA -0.105 4.222 4.340 -0.022 0.000 0.203 87 Q C 1.993 178.078 176.000 0.142 0.000 0.976 87 Q CA 2.225 58.117 55.803 0.148 0.000 0.858 87 Q CB -0.719 28.063 28.738 0.074 0.000 0.907 87 Q HN 0.460 nan 8.270 nan 0.000 0.433 88 A N 0.837 123.699 122.820 0.069 0.000 1.902 88 A HA -0.117 4.189 4.320 -0.022 0.000 0.217 88 A C 2.358 179.931 177.584 -0.019 0.000 1.181 88 A CA 1.659 53.709 52.037 0.023 0.000 0.623 88 A CB -0.937 18.057 19.000 -0.010 0.000 0.818 88 A HN 0.276 nan 8.150 nan 0.000 0.443 89 V N -1.371 118.469 119.914 -0.123 0.000 2.295 89 V HA -0.246 3.861 4.120 -0.022 0.000 0.246 89 V C 2.222 177.984 176.094 -0.554 0.000 1.049 89 V CA 2.054 64.111 62.300 -0.406 0.000 1.024 89 V CB -1.011 30.383 31.823 -0.715 0.000 0.648 89 V HN 0.568 nan 8.190 nan 0.000 0.447 90 F N -1.408 118.505 119.950 -0.062 0.000 2.661 90 F HA 0.076 4.590 4.527 -0.021 0.000 0.298 90 F C 1.436 177.229 175.800 -0.012 0.000 1.137 90 F CA 0.248 58.220 58.000 -0.047 0.000 1.454 90 F CB -0.563 38.401 39.000 -0.060 0.000 1.103 90 F HN 0.192 nan 8.300 nan 0.000 0.577 91 H N 2.167 121.248 119.070 0.018 0.000 3.034 91 H HA -0.076 4.466 4.556 -0.022 0.000 0.324 91 H C 0.435 175.760 175.328 -0.005 0.000 1.015 91 H CA 0.505 56.558 56.048 0.009 0.000 1.429 91 H CB -0.101 29.659 29.762 -0.004 0.000 1.429 91 H HN 0.341 nan 8.280 nan 0.000 0.585 92 N N 2.146 120.529 118.700 -0.528 0.000 2.705 92 N HA -0.223 4.503 4.740 -0.022 0.000 0.255 92 N C -0.500 174.928 175.510 -0.136 0.000 1.008 92 N CA 0.422 53.249 53.050 -0.372 0.000 0.742 92 N CB -0.719 37.536 38.487 -0.387 0.000 0.906 92 N HN 0.403 nan 8.380 nan 0.000 0.541 93 V N -1.787 118.085 119.914 -0.069 0.000 2.581 93 V HA 0.936 5.043 4.120 -0.022 0.000 0.303 93 V C 0.323 176.424 176.094 0.012 0.000 1.041 93 V CA -0.314 61.981 62.300 -0.007 0.000 0.907 93 V CB 2.153 34.008 31.823 0.053 0.000 0.994 93 V HN 0.279 nan 8.190 nan 0.000 0.442 94 S N 1.421 117.148 115.700 0.044 0.000 2.552 94 S HA 0.570 5.027 4.470 -0.022 0.000 0.272 94 S C -0.614 174.063 174.600 0.129 0.000 1.150 94 S CA -0.324 57.915 58.200 0.065 0.000 0.849 94 S CB 1.501 64.718 63.200 0.030 0.000 1.113 94 S HN 1.336 nan 8.310 nan 0.000 0.458 95 T N 1.012 115.690 114.554 0.207 0.000 2.837 95 T HA 0.506 4.843 4.350 -0.022 0.000 0.285 95 T C 1.494 176.257 174.700 0.104 0.000 0.984 95 T CA 0.249 62.479 62.100 0.218 0.000 1.049 95 T CB 0.825 69.898 68.868 0.341 0.000 0.947 95 T HN 1.009 nan 8.240 nan 0.000 0.472 96 T N 2.780 117.365 114.554 0.051 0.000 3.085 96 T HA 0.199 4.535 4.350 -0.022 0.000 0.263 96 T C 0.986 175.685 174.700 -0.001 0.000 1.127 96 T CA 0.200 62.307 62.100 0.012 0.000 1.103 96 T CB -0.509 68.347 68.868 -0.021 0.000 0.921 96 T HN 0.622 nan 8.240 nan 0.000 0.510 97 I N 3.043 123.611 120.570 -0.003 0.000 2.578 97 I HA 0.060 4.217 4.170 -0.022 0.000 0.286 97 I C 1.398 177.510 176.117 -0.009 0.000 1.126 97 I CA -0.178 61.108 61.300 -0.024 0.000 1.380 97 I CB 0.788 38.753 38.000 -0.059 0.000 1.408 97 I HN 0.158 nan 8.210 nan 0.000 0.532 98 T N 4.027 118.574 114.554 -0.012 0.000 2.894 98 T HA -0.017 4.320 4.350 -0.022 0.000 0.258 98 T C 0.622 175.317 174.700 -0.008 0.000 1.043 98 T CA 0.691 62.788 62.100 -0.005 0.000 1.141 98 T CB -0.061 68.804 68.868 -0.006 0.000 0.873 98 T HN 0.538 nan 8.240 nan 0.000 0.449 99 E N 2.452 122.642 120.200 -0.018 0.000 2.152 99 E HA 0.099 4.436 4.350 -0.022 0.000 0.285 99 E C -1.633 174.952 176.600 -0.025 0.000 1.043 99 E CA -2.020 54.368 56.400 -0.019 0.000 0.839 99 E CB 1.321 31.007 29.700 -0.023 0.000 1.069 99 E HN 0.190 nan 8.360 nan 0.000 0.399 100 P HA -0.200 nan 4.420 nan 0.000 0.216 100 P C 0.731 178.014 177.300 -0.029 0.000 1.150 100 P CA 1.302 64.390 63.100 -0.019 0.000 0.837 100 P CB 0.337 32.032 31.700 -0.009 0.000 0.786 101 K N -0.532 119.851 120.400 -0.028 0.000 2.097 101 K HA -0.115 4.192 4.320 -0.022 0.000 0.205 101 K C 2.453 179.028 176.600 -0.042 0.000 1.050 101 K CA 1.036 57.303 56.287 -0.032 0.000 0.938 101 K CB -0.226 32.257 32.500 -0.028 0.000 0.718 101 K HN 0.111 nan 8.250 nan 0.000 0.442 102 Q N 0.745 120.518 119.800 -0.044 0.000 2.084 102 Q HA -0.134 4.193 4.340 -0.022 0.000 0.202 102 Q C 2.188 178.148 176.000 -0.066 0.000 0.978 102 Q CA 1.146 56.917 55.803 -0.054 0.000 0.844 102 Q CB -0.285 28.421 28.738 -0.053 0.000 0.898 102 Q HN 0.412 nan 8.270 nan 0.000 0.426 103 I N 0.671 121.197 120.570 -0.074 0.000 2.226 103 I HA -0.277 3.880 4.170 -0.022 0.000 0.245 103 I C 1.708 177.769 176.117 -0.094 0.000 1.100 103 I CA 1.312 62.550 61.300 -0.103 0.000 1.374 103 I CB -0.032 37.898 38.000 -0.116 0.000 1.057 103 I HN 0.154 nan 8.210 nan 0.000 0.413 104 T N 1.116 115.627 114.554 -0.073 0.000 2.746 104 T HA -0.142 4.195 4.350 -0.022 0.000 0.267 104 T C 1.933 176.593 174.700 -0.066 0.000 1.039 104 T CA 1.402 63.459 62.100 -0.071 0.000 1.142 104 T CB -0.433 68.401 68.868 -0.057 0.000 0.866 104 T HN 0.560 nan 8.240 nan 0.000 0.444 105 A N 1.108 123.893 122.820 -0.058 0.000 1.902 105 A HA 0.037 4.344 4.320 -0.022 0.000 0.217 105 A C 2.300 179.854 177.584 -0.050 0.000 1.181 105 A CA 1.170 53.177 52.037 -0.051 0.000 0.623 105 A CB -0.857 18.113 19.000 -0.051 0.000 0.818 105 A HN 0.490 nan 8.150 nan 0.000 0.443 106 L N -0.183 121.005 121.223 -0.059 0.000 2.027 106 L HA -0.133 4.194 4.340 -0.022 0.000 0.206 106 L C 2.422 179.276 176.870 -0.026 0.000 1.074 106 L CA 1.466 56.277 54.840 -0.048 0.000 0.745 106 L CB -0.230 41.792 42.059 -0.061 0.000 0.898 106 L HN 0.248 nan 8.230 nan 0.000 0.433 107 V N 0.040 119.919 119.914 -0.058 0.000 2.295 107 V HA -0.286 3.821 4.120 -0.022 0.000 0.246 107 V C 2.790 178.878 176.094 -0.010 0.000 1.049 107 V CA 1.930 64.190 62.300 -0.067 0.000 1.024 107 V CB -0.799 30.915 31.823 -0.182 0.000 0.648 107 V HN 0.720 nan 8.190 nan 0.000 0.447 108 S N 0.276 115.959 115.700 -0.030 0.000 2.382 108 S HA -0.227 4.230 4.470 -0.022 0.000 0.228 108 S C 1.854 176.469 174.600 0.026 0.000 1.027 108 S CA 1.574 59.773 58.200 -0.003 0.000 0.991 108 S CB -0.671 62.515 63.200 -0.023 0.000 0.823 108 S HN 0.616 nan 8.310 nan 0.000 0.469 109 N N 2.549 121.255 118.700 0.011 0.000 2.058 109 N HA -0.091 4.636 4.740 -0.022 0.000 0.191 109 N C 2.055 177.584 175.510 0.031 0.000 1.037 109 N CA 2.038 55.093 53.050 0.008 0.000 0.848 109 N CB -0.484 37.996 38.487 -0.013 0.000 1.021 109 N HN 0.777 nan 8.380 nan 0.000 0.422 110 M N -0.152 119.488 119.600 0.066 0.000 2.229 110 M HA -0.033 4.434 4.480 -0.022 0.000 0.264 110 M C 1.567 177.925 176.300 0.097 0.000 1.063 110 M CA 1.619 56.968 55.300 0.082 0.000 1.114 110 M CB -0.380 32.298 32.600 0.131 0.000 1.387 110 M HN -0.209 nan 8.290 nan 0.000 0.420 111 D N 1.679 122.204 120.400 0.208 0.000 2.123 111 D HA -0.165 4.462 4.640 -0.022 0.000 0.196 111 D C 2.071 178.415 176.300 0.074 0.000 0.992 111 D CA 2.177 56.345 54.000 0.281 0.000 0.833 111 D CB -0.048 40.947 40.800 0.324 0.000 0.954 111 D HN 0.613 nan 8.370 nan 0.000 0.455 112 S N 0.002 115.727 115.700 0.042 0.000 2.561 112 S HA -0.030 4.427 4.470 -0.022 0.000 0.225 112 S C 1.259 175.837 174.600 -0.036 0.000 0.977 112 S CA -0.307 57.893 58.200 0.001 0.000 0.926 112 S CB -0.997 62.206 63.200 0.005 0.000 0.769 112 S HN 0.469 nan 8.310 nan 0.000 0.533 113 L N 0.589 121.780 121.223 -0.054 0.000 2.452 113 L HA 0.525 4.852 4.340 -0.022 0.000 0.267 113 L C -0.057 176.731 176.870 -0.136 0.000 1.188 113 L CA -0.594 54.206 54.840 -0.067 0.000 0.821 113 L CB 0.327 42.363 42.059 -0.038 0.000 1.102 113 L HN 0.016 nan 8.230 nan 0.000 0.470 114 D N 1.295 121.661 120.400 -0.056 0.000 2.432 114 D HA 0.239 4.866 4.640 -0.022 0.000 0.258 114 D C -0.124 176.172 176.300 -0.007 0.000 1.146 114 D CA -0.362 53.610 54.000 -0.046 0.000 1.015 114 D CB 0.774 41.654 40.800 0.132 0.000 1.107 114 D HN 0.636 nan 8.370 nan 0.000 0.529 115 W N 0.994 122.423 121.300 0.216 0.000 3.310 115 W HA 0.063 4.709 4.660 -0.022 0.000 0.259 115 W C 1.050 177.653 176.519 0.141 0.000 1.324 115 W CA -0.532 56.975 57.345 0.269 0.000 1.636 115 W CB -0.383 29.165 29.460 0.147 0.000 1.104 115 W HN 0.546 nan 8.180 nan 0.000 0.722 116 Y N 1.877 122.276 120.300 0.165 0.000 2.062 116 Y HA -0.332 4.205 4.550 -0.022 0.000 0.273 116 Y C 0.634 176.537 175.900 0.006 0.000 1.206 116 Y CA 1.838 59.977 58.100 0.064 0.000 1.125 116 Y CB -0.390 38.085 38.460 0.025 0.000 0.951 116 Y HN -0.232 nan 8.280 nan 0.000 0.501 117 N N 1.063 119.799 118.700 0.059 0.000 2.469 117 N HA 0.434 5.161 4.740 -0.022 0.000 0.239 117 N C -0.275 175.130 175.510 -0.175 0.000 1.053 117 N CA 0.567 53.539 53.050 -0.130 0.000 0.937 117 N CB 1.219 39.632 38.487 -0.124 0.000 1.163 117 N HN 0.514 nan 8.380 nan 0.000 0.509 118 G N -0.233 108.504 108.800 -0.106 0.000 2.731 118 G HA2 0.870 4.817 3.960 -0.022 0.000 0.309 118 G HA3 0.870 4.817 3.960 -0.022 0.000 0.309 118 G C -1.623 173.217 174.900 -0.100 0.000 1.273 118 G CA -0.158 44.916 45.100 -0.043 0.000 0.798 118 G HN 0.642 nan 8.290 nan 0.000 0.509 119 A N -1.882 120.868 122.820 -0.115 0.000 2.506 119 A HA 0.715 5.022 4.320 -0.022 0.000 0.305 119 A C -1.041 176.433 177.584 -0.184 0.000 1.166 119 A CA -0.744 51.204 52.037 -0.149 0.000 0.638 119 A CB 0.160 19.123 19.000 -0.061 0.000 1.336 119 A HN 0.767 nan 8.150 nan 0.000 0.493 120 H N 0.497 119.525 119.070 -0.071 0.000 2.964 120 H HA 0.398 4.941 4.556 -0.022 0.000 0.328 120 H C 1.049 176.318 175.328 -0.099 0.000 1.030 120 H CA 1.928 57.930 56.048 -0.077 0.000 1.445 120 H CB 0.144 29.871 29.762 -0.058 0.000 1.449 120 H HN 1.759 nan 8.280 nan 0.000 0.581 121 G N 2.289 111.067 108.800 -0.036 0.000 2.746 121 G HA2 -0.218 3.729 3.960 -0.022 0.000 0.685 121 G HA3 -0.218 3.729 3.960 -0.022 0.000 0.685 121 G C -0.377 174.390 174.900 -0.222 0.000 1.350 121 G CA -0.485 44.551 45.100 -0.106 0.000 0.837 121 G HN 0.705 nan 8.290 nan 0.000 0.564 122 K N -0.086 120.135 120.400 -0.298 0.000 2.350 122 K HA 0.446 4.752 4.320 -0.022 0.000 0.279 122 K C 0.272 176.733 176.600 -0.232 0.000 1.027 122 K CA 0.249 56.250 56.287 -0.477 0.000 0.969 122 K CB 0.133 32.330 32.500 -0.506 0.000 0.954 122 K HN 0.394 nan 8.250 nan 0.000 0.474 123 S N 4.572 120.200 115.700 -0.120 0.000 3.158 123 S HA 0.192 4.648 4.470 -0.022 0.000 0.215 123 S C 0.699 175.474 174.600 0.292 0.000 1.359 123 S CA -0.609 57.625 58.200 0.057 0.000 0.974 123 S CB 0.405 63.626 63.200 0.035 0.000 1.336 123 S HN 0.594 nan 8.310 nan 0.000 0.488 124 R N 1.698 122.303 120.500 0.174 0.000 2.092 124 R HA -0.101 4.226 4.340 -0.022 0.000 0.231 124 R C 1.867 178.315 176.300 0.247 0.000 1.119 124 R CA 1.596 57.838 56.100 0.236 0.000 0.970 124 R CB -0.275 30.059 30.300 0.057 0.000 0.864 124 R HN 0.585 nan 8.270 nan 0.000 0.440 125 D N 0.997 121.462 120.400 0.109 0.000 2.144 125 D HA -0.193 4.433 4.640 -0.022 0.000 0.199 125 D C 0.983 177.322 176.300 0.064 0.000 0.984 125 D CA 1.203 55.221 54.000 0.031 0.000 0.834 125 D CB -0.386 40.393 40.800 -0.034 0.000 0.955 125 D HN 0.063 nan 8.370 nan 0.000 0.465 126 D N 0.114 120.555 120.400 0.068 0.000 2.117 126 D HA -0.116 4.511 4.640 -0.022 0.000 0.197 126 D C 1.999 178.277 176.300 -0.037 0.000 0.987 126 D CA 0.719 54.698 54.000 -0.035 0.000 0.829 126 D CB -0.675 40.027 40.800 -0.163 0.000 0.961 126 D HN 0.277 nan 8.370 nan 0.000 0.460 127 F N 1.071 121.089 119.950 0.113 0.000 2.134 127 F HA -0.028 4.486 4.527 -0.022 0.000 0.299 127 F C 2.648 178.538 175.800 0.150 0.000 1.097 127 F CA 1.346 59.429 58.000 0.139 0.000 1.264 127 F CB -0.878 38.203 39.000 0.135 0.000 1.001 127 F HN 0.014 nan 8.300 nan 0.000 0.479 128 G N -0.447 108.525 108.800 0.286 0.000 2.418 128 G HA2 -0.215 3.732 3.960 -0.022 0.000 0.217 128 G HA3 -0.215 3.732 3.960 -0.022 0.000 0.217 128 G C 1.401 176.447 174.900 0.243 0.000 1.158 128 G CA 1.124 46.350 45.100 0.212 0.000 0.771 128 G HN 0.236 nan 8.290 nan 0.000 0.545 129 D N 0.106 120.598 120.400 0.152 0.000 2.117 129 D HA -0.085 4.542 4.640 -0.022 0.000 0.198 129 D C 2.351 178.737 176.300 0.143 0.000 0.982 129 D CA 0.966 55.048 54.000 0.137 0.000 0.828 129 D CB -0.210 40.634 40.800 0.074 0.000 0.967 129 D HN 0.225 nan 8.370 nan 0.000 0.464 130 M N -0.174 119.501 119.600 0.125 0.000 2.159 130 M HA -0.179 4.288 4.480 -0.022 0.000 0.263 130 M C 2.005 178.401 176.300 0.158 0.000 1.063 130 M CA 1.120 56.483 55.300 0.106 0.000 1.110 130 M CB -0.493 32.144 32.600 0.062 0.000 1.374 130 M HN 0.055 nan 8.290 nan 0.000 0.411 131 Y N 0.669 121.037 120.300 0.113 0.000 2.145 131 Y HA -0.232 4.306 4.550 -0.019 0.000 0.286 131 Y C 2.060 178.028 175.900 0.113 0.000 1.145 131 Y CA 2.032 60.208 58.100 0.127 0.000 1.148 131 Y CB -0.180 38.366 38.460 0.142 0.000 0.981 131 Y HN 0.247 nan 8.280 nan 0.000 0.507 132 E N -0.238 120.080 120.200 0.196 0.000 2.072 132 E HA -0.136 4.201 4.350 -0.022 0.000 0.191 132 E C 2.438 179.055 176.600 0.028 0.000 0.985 132 E CA 1.074 57.532 56.400 0.095 0.000 0.801 132 E CB -0.808 28.996 29.700 0.173 0.000 0.750 132 E HN 0.638 nan 8.360 nan 0.000 0.452 133 G N 1.585 110.419 108.800 0.057 0.000 2.418 133 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.217 133 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.217 133 G C 1.640 176.555 174.900 0.026 0.000 1.158 133 G CA 0.714 45.844 45.100 0.049 0.000 0.771 133 G HN 0.219 nan 8.290 nan 0.000 0.545 134 L N 0.438 121.661 121.223 0.000 0.000 2.083 134 L HA 0.136 4.463 4.340 -0.022 0.000 0.209 134 L C 2.529 179.386 176.870 -0.021 0.000 1.083 134 L CA 1.348 56.192 54.840 0.006 0.000 0.752 134 L CB -0.415 41.647 42.059 0.004 0.000 0.899 134 L HN 0.247 nan 8.230 nan 0.000 0.433 135 L N -0.898 120.249 121.223 -0.125 0.000 2.083 135 L HA -0.260 4.066 4.340 -0.022 0.000 0.209 135 L C 2.577 179.457 176.870 0.016 0.000 1.083 135 L CA 1.745 56.519 54.840 -0.111 0.000 0.752 135 L CB -0.280 41.655 42.059 -0.208 0.000 0.899 135 L HN 0.545 nan 8.230 nan 0.000 0.433 136 Q N 0.069 119.900 119.800 0.052 0.000 2.084 136 Q HA -0.273 4.053 4.340 -0.022 0.000 0.202 136 Q C 2.119 178.146 176.000 0.044 0.000 0.978 136 Q CA 1.848 57.728 55.803 0.129 0.000 0.844 136 Q CB 0.045 28.875 28.738 0.154 0.000 0.898 136 Q HN 0.497 nan 8.270 nan 0.000 0.426 137 K N 0.343 120.760 120.400 0.028 0.000 2.057 137 K HA -0.154 4.153 4.320 -0.022 0.000 0.207 137 K C 2.030 178.637 176.600 0.013 0.000 1.049 137 K CA 1.391 57.681 56.287 0.006 0.000 0.931 137 K CB -0.262 32.261 32.500 0.038 0.000 0.714 137 K HN 0.324 nan 8.250 nan 0.000 0.440 138 N N 0.687 119.427 118.700 0.068 0.000 2.120 138 N HA -0.158 4.569 4.740 -0.022 0.000 0.188 138 N C 1.789 177.311 175.510 0.021 0.000 1.024 138 N CA 1.115 54.225 53.050 0.099 0.000 0.852 138 N CB 0.031 38.611 38.487 0.156 0.000 1.003 138 N HN 0.165 nan 8.380 nan 0.000 0.424 139 A N 1.426 124.250 122.820 0.006 0.000 1.902 139 A HA -0.145 4.162 4.320 -0.022 0.000 0.217 139 A C 1.997 179.427 177.584 -0.256 0.000 1.181 139 A CA 1.230 53.251 52.037 -0.028 0.000 0.623 139 A CB -0.511 18.630 19.000 0.234 0.000 0.818 139 A HN 0.397 nan 8.150 nan 0.000 0.443 140 N N 0.188 118.665 118.700 -0.371 0.000 2.188 140 N HA -0.105 4.622 4.740 -0.022 0.000 0.184 140 N C 0.854 176.302 175.510 -0.105 0.000 1.018 140 N CA 0.639 53.426 53.050 -0.438 0.000 0.858 140 N CB -0.313 37.956 38.487 -0.364 0.000 0.989 140 N HN 0.751 nan 8.380 nan 0.000 0.426 141 E N 0.709 120.885 120.200 -0.040 0.000 2.415 141 E HA -0.056 4.281 4.350 -0.022 0.000 0.263 141 E C 0.844 177.524 176.600 0.133 0.000 0.995 141 E CA 0.114 56.523 56.400 0.015 0.000 0.915 141 E CB 0.845 30.540 29.700 -0.009 0.000 0.951 141 E HN 0.004 nan 8.360 nan 0.000 0.449 142 T N 3.889 118.514 114.554 0.119 0.000 2.812 142 T HA -0.081 4.256 4.350 -0.022 0.000 0.264 142 T C 1.462 176.247 174.700 0.143 0.000 1.042 142 T CA 1.041 63.246 62.100 0.176 0.000 1.140 142 T CB 0.103 68.966 68.868 -0.009 0.000 0.870 142 T HN 0.317 nan 8.240 nan 0.000 0.445 143 K N 1.631 122.033 120.400 0.003 0.000 2.057 143 K HA -0.049 4.257 4.320 -0.022 0.000 0.207 143 K C 2.759 179.341 176.600 -0.030 0.000 1.049 143 K CA 1.625 57.879 56.287 -0.055 0.000 0.931 143 K CB -0.914 31.465 32.500 -0.202 0.000 0.714 143 K HN 0.628 nan 8.250 nan 0.000 0.440 144 S N -0.576 115.100 115.700 -0.040 0.000 2.359 144 S HA -0.108 4.349 4.470 -0.022 0.000 0.224 144 S C 1.767 176.397 174.600 0.049 0.000 1.035 144 S CA 1.734 59.957 58.200 0.039 0.000 1.018 144 S CB -0.607 62.642 63.200 0.080 0.000 0.876 144 S HN 0.458 nan 8.310 nan 0.000 0.448 145 G N 0.645 109.454 108.800 0.016 0.000 2.175 145 G HA2 -0.169 3.777 3.960 -0.022 0.000 0.244 145 G HA3 -0.169 3.777 3.960 -0.022 0.000 0.244 145 G C 0.969 175.752 174.900 -0.195 0.000 0.982 145 G CA 0.493 45.569 45.100 -0.041 0.000 0.641 145 G HN 1.339 nan 8.290 nan 0.000 0.527 146 A N 0.513 123.269 122.820 -0.107 0.000 2.015 146 A HA 0.357 4.664 4.320 -0.022 0.000 0.219 146 A C 2.728 180.274 177.584 -0.064 0.000 1.163 146 A CA 2.073 54.160 52.037 0.083 0.000 0.646 146 A CB -0.856 18.207 19.000 0.105 0.000 0.806 146 A HN 1.646 nan 8.150 nan 0.000 0.448 147 G N -0.808 107.589 108.800 -0.672 0.000 2.479 147 G HA2 -0.239 3.708 3.960 -0.022 0.000 0.220 147 G HA3 -0.239 3.708 3.960 -0.022 0.000 0.220 147 G C 1.426 175.939 174.900 -0.645 0.000 1.115 147 G CA 0.907 45.414 45.100 -0.988 0.000 0.757 147 G HN 0.511 nan 8.290 nan 0.000 0.560 148 Q N 0.070 119.455 119.800 -0.691 0.000 2.112 148 Q HA -0.175 4.152 4.340 -0.022 0.000 0.206 148 Q C 2.263 178.076 176.000 -0.311 0.000 0.987 148 Q CA 1.426 56.971 55.803 -0.431 0.000 0.858 148 Q CB -0.534 27.843 28.738 -0.601 0.000 0.905 148 Q HN 0.731 nan 8.270 nan 0.000 0.420 149 Y N -0.385 119.910 120.300 -0.008 0.000 2.242 149 Y HA -0.094 4.443 4.550 -0.021 0.000 0.291 149 Y C 1.138 177.106 175.900 0.113 0.000 1.137 149 Y CA -0.223 57.911 58.100 0.056 0.000 1.181 149 Y CB -0.634 37.855 38.460 0.049 0.000 0.989 149 Y HN 0.012 nan 8.280 nan 0.000 0.527 150 F N 1.892 121.928 119.950 0.143 0.000 2.635 150 F HA 0.123 4.640 4.527 -0.016 0.000 0.379 150 F C 0.170 176.094 175.800 0.206 0.000 1.094 150 F CA 0.328 58.407 58.000 0.133 0.000 1.300 150 F CB 0.390 39.441 39.000 0.086 0.000 1.035 150 F HN -0.182 nan 8.300 nan 0.000 0.581 151 T N 6.788 120.745 114.554 -0.995 0.000 2.916 151 T HA 0.364 4.700 4.350 -0.022 0.000 0.305 151 T C -2.774 171.202 174.700 -1.208 0.000 1.119 151 T CA -1.266 60.395 62.100 -0.732 0.000 1.008 151 T CB 2.034 70.786 68.868 -0.194 0.000 1.129 151 T HN 0.249 nan 8.240 nan 0.000 0.480 152 P HA 0.291 nan 4.420 nan 0.000 0.271 152 P C 0.641 177.745 177.300 -0.327 0.000 1.216 152 P CA -0.326 62.443 63.100 -0.553 0.000 0.771 152 P CB 0.805 32.236 31.700 -0.448 0.000 0.864 153 R N 5.504 125.892 120.500 -0.186 0.000 2.066 153 R HA -0.071 4.256 4.340 -0.022 0.000 0.232 153 R C -0.824 175.418 176.300 -0.097 0.000 1.131 153 R CA 1.728 57.745 56.100 -0.138 0.000 0.955 153 R CB -1.384 28.883 30.300 -0.056 0.000 0.851 153 R HN 0.421 nan 8.270 nan 0.000 0.432 154 P HA -0.141 nan 4.420 nan 0.000 0.221 154 P C 1.333 178.646 177.300 0.022 0.000 1.150 154 P CA 0.801 63.896 63.100 -0.008 0.000 0.800 154 P CB -0.072 31.616 31.700 -0.021 0.000 0.787 155 L N -0.226 121.012 121.223 0.025 0.000 2.056 155 L HA -0.087 4.240 4.340 -0.022 0.000 0.207 155 L C 2.426 179.300 176.870 0.007 0.000 1.078 155 L CA 1.649 56.514 54.840 0.042 0.000 0.749 155 L CB -1.178 40.867 42.059 -0.024 0.000 0.901 155 L HN -0.200 nan 8.230 nan 0.000 0.433 156 I N -0.559 119.921 120.570 -0.150 0.000 2.226 156 I HA -0.308 3.849 4.170 -0.022 0.000 0.245 156 I C 2.552 178.596 176.117 -0.120 0.000 1.100 156 I CA 1.488 62.600 61.300 -0.313 0.000 1.374 156 I CB -0.457 37.154 38.000 -0.648 0.000 1.057 156 I HN 0.303 nan 8.210 nan 0.000 0.413 157 K N 0.758 121.111 120.400 -0.080 0.000 2.032 157 K HA -0.192 4.115 4.320 -0.022 0.000 0.209 157 K C 2.066 178.693 176.600 0.045 0.000 1.048 157 K CA 2.083 58.359 56.287 -0.018 0.000 0.927 157 K CB -0.110 32.374 32.500 -0.026 0.000 0.712 157 K HN 0.225 nan 8.250 nan 0.000 0.441 158 T N 1.510 116.098 114.554 0.057 0.000 2.746 158 T HA -0.089 4.248 4.350 -0.022 0.000 0.267 158 T C 1.852 176.645 174.700 0.156 0.000 1.039 158 T CA 1.476 63.641 62.100 0.108 0.000 1.142 158 T CB -0.146 68.797 68.868 0.126 0.000 0.866 158 T HN 0.197 nan 8.240 nan 0.000 0.444 159 I N 0.427 121.103 120.570 0.177 0.000 2.179 159 I HA -0.144 4.013 4.170 -0.022 0.000 0.242 159 I C 2.071 178.282 176.117 0.157 0.000 1.088 159 I CA 1.148 62.589 61.300 0.235 0.000 1.357 159 I CB -0.388 37.813 38.000 0.334 0.000 1.051 159 I HN 0.157 nan 8.210 nan 0.000 0.409 160 I N 0.184 120.826 120.570 0.120 0.000 2.286 160 I HA -0.297 3.860 4.170 -0.022 0.000 0.248 160 I C 2.565 178.595 176.117 -0.145 0.000 1.115 160 I CA 1.622 62.933 61.300 0.018 0.000 1.392 160 I CB -0.864 37.154 38.000 0.030 0.000 1.065 160 I HN 0.221 nan 8.210 nan 0.000 0.418 161 H N 0.653 119.633 119.070 -0.150 0.000 2.319 161 H HA -0.133 4.409 4.556 -0.022 0.000 0.299 161 H C 2.107 177.324 175.328 -0.186 0.000 1.092 161 H CA 1.877 57.810 56.048 -0.192 0.000 1.302 161 H CB -0.197 29.533 29.762 -0.053 0.000 1.373 161 H HN 0.228 nan 8.280 nan 0.000 0.497 162 L N -0.211 120.942 121.223 -0.115 0.000 2.056 162 L HA -0.150 4.177 4.340 -0.022 0.000 0.207 162 L C 2.573 179.355 176.870 -0.147 0.000 1.078 162 L CA 0.671 55.389 54.840 -0.204 0.000 0.749 162 L CB -0.436 41.412 42.059 -0.351 0.000 0.901 162 L HN 0.375 nan 8.230 nan 0.000 0.433 163 L N 0.959 122.121 121.223 -0.100 0.000 2.046 163 L HA -0.166 4.160 4.340 -0.022 0.000 0.208 163 L C 0.823 177.598 176.870 -0.158 0.000 1.077 163 L CA 1.636 56.432 54.840 -0.074 0.000 0.747 163 L CB -0.602 41.439 42.059 -0.029 0.000 0.896 163 L HN 0.379 nan 8.230 nan 0.000 0.432 164 K N 0.076 120.268 120.400 -0.346 0.000 3.393 164 K HA -0.112 4.195 4.320 -0.022 0.000 0.272 164 K C -2.166 174.360 176.600 -0.123 0.000 1.004 164 K CA 0.257 56.304 56.287 -0.400 0.000 0.764 164 K CB -1.665 30.731 32.500 -0.175 0.000 1.373 164 K HN 0.388 nan 8.250 nan 0.000 0.458 165 P HA -0.092 nan 4.420 nan 0.000 0.265 165 P C -0.255 177.161 177.300 0.194 0.000 1.187 165 P CA 0.548 63.700 63.100 0.086 0.000 0.766 165 P CB 0.762 32.557 31.700 0.158 0.000 0.820 166 Q N 2.565 122.437 119.800 0.120 0.000 2.333 166 Q HA 0.536 4.862 4.340 -0.022 0.000 0.266 166 Q C -2.218 173.830 176.000 0.081 0.000 1.053 166 Q CA -2.086 53.782 55.803 0.108 0.000 0.890 166 Q CB 0.608 29.371 28.738 0.042 0.000 1.337 166 Q HN 0.374 nan 8.270 nan 0.000 0.474 167 P HA 0.216 nan 4.420 nan 0.000 0.274 167 P C -0.448 176.848 177.300 -0.007 0.000 1.237 167 P CA 0.070 63.208 63.100 0.063 0.000 0.793 167 P CB 0.748 32.486 31.700 0.063 0.000 0.977 168 R N -2.277 118.229 120.500 0.011 0.000 3.922 168 R HA -0.164 4.163 4.340 -0.022 0.000 0.447 168 R C 0.047 176.283 176.300 -0.107 0.000 1.035 168 R CA 1.229 57.149 56.100 -0.300 0.000 1.289 168 R CB -1.486 28.592 30.300 -0.370 0.000 1.906 168 R HN 0.641 nan 8.270 nan 0.000 0.540 169 E N 0.803 121.020 120.200 0.029 0.000 2.277 169 E HA 0.380 4.717 4.350 -0.022 0.000 0.274 169 E C -0.394 176.361 176.600 0.258 0.000 1.022 169 E CA -0.537 55.901 56.400 0.063 0.000 0.853 169 E CB 1.773 31.469 29.700 -0.007 0.000 1.086 169 E HN -0.126 nan 8.360 nan 0.000 0.397 170 V N 2.996 123.194 119.914 0.473 0.000 2.394 170 V HA 0.206 4.312 4.120 -0.022 0.000 0.282 170 V C -0.111 176.055 176.094 0.120 0.000 1.031 170 V CA -0.641 61.790 62.300 0.218 0.000 0.881 170 V CB 1.439 33.388 31.823 0.210 0.000 0.982 170 V HN 0.372 nan 8.190 nan 0.000 0.451 171 V N 5.155 125.071 119.914 0.004 0.000 2.483 171 V HA 0.517 4.624 4.120 -0.022 0.000 0.295 171 V C -0.146 176.020 176.094 0.119 0.000 1.035 171 V CA -0.475 61.883 62.300 0.097 0.000 0.896 171 V CB 1.604 33.550 31.823 0.204 0.000 0.986 171 V HN 0.955 nan 8.190 nan 0.000 0.447 172 Q N 2.377 122.240 119.800 0.105 0.000 2.413 172 Q HA 0.494 4.821 4.340 -0.022 0.000 0.276 172 Q C -1.864 174.191 176.000 0.092 0.000 1.099 172 Q CA -0.671 55.190 55.803 0.097 0.000 0.814 172 Q CB 2.444 31.228 28.738 0.076 0.000 1.379 172 Q HN 0.753 nan 8.270 nan 0.000 0.436 173 D N 3.199 123.657 120.400 0.096 0.000 2.386 173 D HA 0.278 4.905 4.640 -0.022 0.000 0.247 173 D C -2.195 174.161 176.300 0.094 0.000 1.336 173 D CA -1.799 52.242 54.000 0.070 0.000 0.976 173 D CB 2.015 42.867 40.800 0.086 0.000 1.257 173 D HN 0.289 nan 8.370 nan 0.000 0.570 174 P HA 0.001 nan 4.420 nan 0.000 0.216 174 P C 0.019 177.421 177.300 0.171 0.000 1.153 174 P CA 0.751 63.942 63.100 0.152 0.000 0.848 174 P CB 0.344 32.185 31.700 0.234 0.000 0.787 175 A N -0.959 121.936 122.820 0.125 0.000 2.690 175 A HA 0.605 4.912 4.320 -0.022 0.000 0.342 175 A C 1.359 179.001 177.584 0.096 0.000 1.410 175 A CA -0.008 52.087 52.037 0.095 0.000 0.958 175 A CB -0.155 18.820 19.000 -0.042 0.000 1.153 175 A HN 0.097 nan 8.150 nan 0.000 0.497 176 A N 1.660 124.548 122.820 0.112 0.000 1.873 176 A HA 0.376 4.683 4.320 -0.022 0.000 0.215 176 A C 1.992 179.657 177.584 0.136 0.000 1.186 176 A CA 1.940 54.048 52.037 0.119 0.000 0.616 176 A CB -1.023 18.034 19.000 0.096 0.000 0.823 176 A HN 2.407 nan 8.150 nan 0.000 0.442 177 G N -1.306 107.574 108.800 0.134 0.000 2.591 177 G HA2 -0.410 3.537 3.960 -0.022 0.000 0.298 177 G HA3 -0.410 3.537 3.960 -0.022 0.000 0.298 177 G C 1.210 176.146 174.900 0.060 0.000 1.195 177 G CA 1.905 47.084 45.100 0.131 0.000 0.989 177 G HN 1.504 nan 8.290 nan 0.000 0.551 178 T N -1.008 113.579 114.554 0.054 0.000 3.118 178 T HA 0.453 4.790 4.350 -0.022 0.000 0.260 178 T C 1.696 176.429 174.700 0.054 0.000 1.139 178 T CA 1.989 64.115 62.100 0.044 0.000 1.085 178 T CB -0.230 68.667 68.868 0.050 0.000 0.934 178 T HN 2.648 nan 8.240 nan 0.000 0.518 179 A N -0.100 122.765 122.820 0.075 0.000 3.002 179 A HA -0.020 4.287 4.320 -0.022 0.000 0.272 179 A C 1.594 179.192 177.584 0.022 0.000 1.421 179 A CA 0.939 53.015 52.037 0.066 0.000 0.766 179 A CB -2.366 16.652 19.000 0.030 0.000 1.034 179 A HN 0.920 nan 8.150 nan 0.000 0.541 180 G N -0.941 107.880 108.800 0.035 0.000 2.421 180 G HA2 0.045 3.992 3.960 -0.022 0.000 0.216 180 G HA3 0.045 3.992 3.960 -0.022 0.000 0.216 180 G C 1.102 175.911 174.900 -0.151 0.000 1.171 180 G CA 1.553 46.597 45.100 -0.093 0.000 0.775 180 G HN 0.644 nan 8.290 nan 0.000 0.543 181 F N 0.693 120.626 119.950 -0.030 0.000 2.146 181 F HA 0.092 4.605 4.527 -0.023 0.000 0.298 181 F C 2.659 178.439 175.800 -0.033 0.000 1.096 181 F CA 0.758 58.749 58.000 -0.015 0.000 1.275 181 F CB -0.326 38.686 39.000 0.019 0.000 1.008 181 F HN 0.006 nan 8.300 nan 0.000 0.480 182 L N -0.754 120.552 121.223 0.138 0.000 2.046 182 L HA -0.238 4.089 4.340 -0.022 0.000 0.208 182 L C 2.317 179.014 176.870 -0.288 0.000 1.077 182 L CA 1.014 55.848 54.840 -0.011 0.000 0.747 182 L CB -0.671 41.386 42.059 -0.003 0.000 0.896 182 L HN 0.094 nan 8.230 nan 0.000 0.432 183 I N 0.088 120.496 120.570 -0.270 0.000 2.226 183 I HA -0.265 3.892 4.170 -0.022 0.000 0.245 183 I C 2.574 178.514 176.117 -0.295 0.000 1.100 183 I CA 1.314 62.373 61.300 -0.402 0.000 1.374 183 I CB -0.457 37.202 38.000 -0.569 0.000 1.057 183 I HN 0.219 nan 8.210 nan 0.000 0.413 184 E N 0.944 121.032 120.200 -0.186 0.000 2.077 184 E HA -0.181 4.156 4.350 -0.022 0.000 0.193 184 E C 2.235 178.840 176.600 0.008 0.000 0.989 184 E CA 1.618 57.964 56.400 -0.091 0.000 0.800 184 E CB -0.325 29.315 29.700 -0.099 0.000 0.746 184 E HN 0.408 nan 8.360 nan 0.000 0.452 185 A N 0.592 123.433 122.820 0.035 0.000 1.902 185 A HA -0.213 4.094 4.320 -0.022 0.000 0.217 185 A C 2.137 179.846 177.584 0.207 0.000 1.181 185 A CA 1.966 54.122 52.037 0.200 0.000 0.623 185 A CB -0.947 18.284 19.000 0.385 0.000 0.818 185 A HN 0.418 nan 8.150 nan 0.000 0.443 186 D N -0.628 119.645 120.400 -0.211 0.000 2.117 186 D HA -0.189 4.438 4.640 -0.022 0.000 0.197 186 D C 2.103 178.421 176.300 0.031 0.000 0.987 186 D CA 1.459 55.329 54.000 -0.216 0.000 0.829 186 D CB -0.229 40.203 40.800 -0.612 0.000 0.961 186 D HN 0.456 nan 8.370 nan 0.000 0.460 187 R N -1.340 119.160 120.500 -0.001 0.000 2.081 187 R HA -0.208 4.119 4.340 -0.022 0.000 0.235 187 R C 2.284 178.641 176.300 0.096 0.000 1.131 187 R CA 1.236 57.362 56.100 0.044 0.000 0.960 187 R CB -0.573 29.744 30.300 0.029 0.000 0.856 187 R HN 0.314 nan 8.270 nan 0.000 0.436 188 Y N 0.655 120.989 120.300 0.056 0.000 2.145 188 Y HA -0.212 4.325 4.550 -0.022 0.000 0.286 188 Y C 1.972 177.929 175.900 0.095 0.000 1.145 188 Y CA 1.778 59.927 58.100 0.082 0.000 1.148 188 Y CB -0.242 38.279 38.460 0.101 0.000 0.981 188 Y HN -0.137 nan 8.280 nan 0.000 0.507 189 V N 0.667 120.712 119.914 0.219 0.000 2.295 189 V HA -0.321 3.786 4.120 -0.022 0.000 0.246 189 V C 2.222 178.328 176.094 0.020 0.000 1.049 189 V CA 2.382 64.770 62.300 0.147 0.000 1.024 189 V CB -0.626 31.369 31.823 0.286 0.000 0.648 189 V HN 0.325 nan 8.190 nan 0.000 0.447 190 K N 0.898 121.325 120.400 0.046 0.000 2.097 190 K HA -0.151 4.156 4.320 -0.022 0.000 0.206 190 K C 2.419 178.997 176.600 -0.037 0.000 1.049 190 K CA 1.661 57.961 56.287 0.022 0.000 0.933 190 K CB -0.373 32.151 32.500 0.040 0.000 0.717 190 K HN 0.647 nan 8.250 nan 0.000 0.442 191 S N 1.054 116.701 115.700 -0.090 0.000 2.383 191 S HA -0.188 4.269 4.470 -0.022 0.000 0.229 191 S C 1.926 176.439 174.600 -0.145 0.000 1.030 191 S CA 0.885 59.016 58.200 -0.115 0.000 1.002 191 S CB -0.195 62.915 63.200 -0.149 0.000 0.829 191 S HN 0.192 nan 8.310 nan 0.000 0.467 192 Q N 1.494 121.164 119.800 -0.218 0.000 2.083 192 Q HA -0.029 4.298 4.340 -0.022 0.000 0.198 192 Q C 2.592 178.546 176.000 -0.076 0.000 0.969 192 Q CA 1.992 57.693 55.803 -0.170 0.000 0.838 192 Q CB -1.407 27.209 28.738 -0.203 0.000 0.900 192 Q HN 0.917 nan 8.270 nan 0.000 0.436 193 T N -2.349 112.177 114.554 -0.046 0.000 3.085 193 T HA -0.004 4.333 4.350 -0.022 0.000 0.263 193 T C 0.201 174.898 174.700 -0.005 0.000 1.127 193 T CA 0.546 62.641 62.100 -0.009 0.000 1.103 193 T CB -0.220 68.659 68.868 0.019 0.000 0.921 193 T HN 0.379 nan 8.240 nan 0.000 0.510 194 N N 1.843 120.535 118.700 -0.014 0.000 2.780 194 N HA -0.132 4.595 4.740 -0.022 0.000 0.247 194 N C -1.023 174.490 175.510 0.006 0.000 1.076 194 N CA 0.644 53.690 53.050 -0.006 0.000 0.688 194 N CB -1.553 36.932 38.487 -0.003 0.000 0.957 194 N HN 0.452 nan 8.380 nan 0.000 0.551 195 D N -0.489 119.917 120.400 0.010 0.000 2.746 195 D HA -0.221 4.406 4.640 -0.022 0.000 0.236 195 D C 0.668 176.989 176.300 0.035 0.000 1.129 195 D CA 1.371 55.386 54.000 0.025 0.000 0.691 195 D CB -0.988 39.825 40.800 0.021 0.000 1.077 195 D HN 0.668 nan 8.370 nan 0.000 0.432 196 L N -2.082 119.164 121.223 0.039 0.000 5.081 196 L HA -0.306 4.021 4.340 -0.022 0.000 0.423 196 L C 1.411 178.305 176.870 0.040 0.000 1.019 196 L CA 1.330 56.201 54.840 0.051 0.000 1.223 196 L CB -1.131 40.969 42.059 0.068 0.000 1.940 196 L HN 0.121 nan 8.230 nan 0.000 0.675 197 D N 0.745 121.162 120.400 0.028 0.000 2.144 197 D HA -0.119 4.507 4.640 -0.022 0.000 0.200 197 D C 1.531 177.843 176.300 0.020 0.000 0.978 197 D CA 1.636 55.650 54.000 0.023 0.000 0.833 197 D CB -0.001 40.809 40.800 0.016 0.000 0.961 197 D HN 0.497 nan 8.370 nan 0.000 0.470 198 D N 0.309 120.719 120.400 0.017 0.000 2.144 198 D HA -0.040 4.586 4.640 -0.022 0.000 0.199 198 D C 1.002 177.313 176.300 0.017 0.000 0.984 198 D CA 0.387 54.394 54.000 0.012 0.000 0.834 198 D CB 0.029 40.833 40.800 0.007 0.000 0.955 198 D HN 0.241 nan 8.370 nan 0.000 0.465 199 L N 1.902 123.141 121.223 0.026 0.000 2.453 199 L HA 0.130 4.457 4.340 -0.022 0.000 0.261 199 L C 0.973 177.863 176.870 0.033 0.000 1.179 199 L CA -0.783 54.075 54.840 0.031 0.000 0.813 199 L CB 0.484 42.572 42.059 0.048 0.000 1.110 199 L HN 0.046 nan 8.230 nan 0.000 0.466 200 D N 0.871 121.289 120.400 0.031 0.000 2.377 200 D HA 0.018 4.644 4.640 -0.022 0.000 0.245 200 D C 1.009 177.339 176.300 0.049 0.000 1.196 200 D CA -0.120 53.900 54.000 0.032 0.000 0.962 200 D CB 1.124 41.938 40.800 0.023 0.000 1.127 200 D HN 0.627 nan 8.370 nan 0.000 0.471 201 G N -0.206 108.623 108.800 0.049 0.000 2.418 201 G HA2 -0.327 3.620 3.960 -0.022 0.000 0.217 201 G HA3 -0.327 3.620 3.960 -0.022 0.000 0.217 201 G C 1.202 176.151 174.900 0.082 0.000 1.158 201 G CA 1.081 46.218 45.100 0.063 0.000 0.771 201 G HN 0.640 nan 8.290 nan 0.000 0.545 202 D N 0.180 120.623 120.400 0.072 0.000 2.097 202 D HA -0.090 4.537 4.640 -0.022 0.000 0.195 202 D C 2.587 178.963 176.300 0.127 0.000 0.989 202 D CA 1.653 55.707 54.000 0.089 0.000 0.827 202 D CB -0.396 40.439 40.800 0.058 0.000 0.966 202 D HN 0.225 nan 8.370 nan 0.000 0.456 203 T N 0.071 114.684 114.554 0.097 0.000 2.788 203 T HA -0.143 4.194 4.350 -0.022 0.000 0.268 203 T C 1.932 176.746 174.700 0.189 0.000 1.044 203 T CA 1.167 63.339 62.100 0.121 0.000 1.139 203 T CB -0.222 68.681 68.868 0.059 0.000 0.867 203 T HN 0.313 nan 8.240 nan 0.000 0.454 204 Q N 0.721 120.605 119.800 0.140 0.000 2.084 204 Q HA -0.149 4.178 4.340 -0.022 0.000 0.202 204 Q C 2.058 178.153 176.000 0.159 0.000 0.978 204 Q CA 1.572 57.455 55.803 0.134 0.000 0.844 204 Q CB -0.237 28.560 28.738 0.098 0.000 0.898 204 Q HN 0.478 nan 8.270 nan 0.000 0.426 205 D N 0.124 120.637 120.400 0.187 0.000 2.144 205 D HA -0.146 4.481 4.640 -0.022 0.000 0.199 205 D C 1.375 177.838 176.300 0.271 0.000 0.984 205 D CA 0.730 54.880 54.000 0.250 0.000 0.834 205 D CB -0.224 40.724 40.800 0.247 0.000 0.955 205 D HN 0.135 nan 8.370 nan 0.000 0.465 206 F N 1.414 121.438 119.950 0.123 0.000 2.095 206 F HA -0.224 4.290 4.527 -0.022 0.000 0.298 206 F C 2.187 178.034 175.800 0.078 0.000 1.104 206 F CA 1.343 59.401 58.000 0.097 0.000 1.232 206 F CB -0.037 38.993 39.000 0.052 0.000 0.987 206 F HN -0.148 nan 8.300 nan 0.000 0.475 207 Q N 0.534 120.448 119.800 0.190 0.000 2.084 207 Q HA -0.160 4.167 4.340 -0.022 0.000 0.202 207 Q C 2.492 178.520 176.000 0.048 0.000 0.978 207 Q CA 2.029 57.893 55.803 0.102 0.000 0.844 207 Q CB -0.595 28.267 28.738 0.207 0.000 0.898 207 Q HN 0.534 nan 8.270 nan 0.000 0.426 208 I N 0.112 120.683 120.570 0.002 0.000 2.133 208 I HA -0.278 3.879 4.170 -0.022 0.000 0.238 208 I C 2.418 178.377 176.117 -0.263 0.000 1.074 208 I CA 1.240 62.455 61.300 -0.141 0.000 1.342 208 I CB -0.403 37.405 38.000 -0.321 0.000 1.053 208 I HN 0.255 nan 8.210 nan 0.000 0.404 209 H N 0.667 119.725 119.070 -0.020 0.000 2.306 209 H HA 0.084 4.627 4.556 -0.022 0.000 0.307 209 H C 2.398 177.642 175.328 -0.141 0.000 1.061 209 H CA 1.104 57.125 56.048 -0.045 0.000 1.359 209 H CB -0.135 29.610 29.762 -0.029 0.000 1.407 209 H HN 0.247 nan 8.280 nan 0.000 0.517 210 R N 0.605 120.947 120.500 -0.263 0.000 2.127 210 R HA 0.111 4.437 4.340 -0.022 0.000 0.217 210 R C 2.511 178.385 176.300 -0.709 0.000 1.074 210 R CA 0.696 56.457 56.100 -0.566 0.000 0.991 210 R CB -0.049 29.679 30.300 -0.953 0.000 0.895 210 R HN 0.163 nan 8.270 nan 0.000 0.450 211 A N 1.290 123.625 122.820 -0.808 0.000 1.908 211 A HA -0.092 4.215 4.320 -0.022 0.000 0.218 211 A C 0.494 177.631 177.584 -0.744 0.000 1.181 211 A CA 1.155 52.742 52.037 -0.750 0.000 0.627 211 A CB -0.198 18.343 19.000 -0.765 0.000 0.818 211 A HN 0.131 nan 8.150 nan 0.000 0.445 212 F N -1.494 118.420 119.950 -0.060 0.000 2.522 212 F HA 0.738 5.252 4.527 -0.022 0.000 0.324 212 F C -0.094 175.699 175.800 -0.012 0.000 1.077 212 F CA -0.849 57.151 58.000 0.000 0.000 0.944 212 F CB 1.544 40.555 39.000 0.018 0.000 1.175 212 F HN -0.084 nan 8.300 nan 0.000 0.468 213 I N 0.644 121.319 120.570 0.174 0.000 2.894 213 I HA 0.810 4.967 4.170 -0.022 0.000 0.302 213 I C -0.274 175.903 176.117 0.100 0.000 1.188 213 I CA -0.766 60.589 61.300 0.091 0.000 1.014 213 I CB 2.639 40.655 38.000 0.026 0.000 1.242 213 I HN 0.727 nan 8.210 nan 0.000 0.430 214 G N 3.119 111.958 108.800 0.066 0.000 2.692 214 G HA2 0.710 4.657 3.960 -0.022 0.000 0.291 214 G HA3 0.710 4.657 3.960 -0.022 0.000 0.291 214 G C -2.439 172.488 174.900 0.045 0.000 1.423 214 G CA -0.488 44.655 45.100 0.071 0.000 0.843 214 G HN 0.382 nan 8.290 nan 0.000 0.486 215 L N 0.028 121.285 121.223 0.056 0.000 2.431 215 L HA 0.894 5.221 4.340 -0.022 0.000 0.266 215 L C -1.142 175.770 176.870 0.070 0.000 0.978 215 L CA -0.807 54.060 54.840 0.045 0.000 0.822 215 L CB 2.337 44.411 42.059 0.025 0.000 1.310 215 L HN 0.641 nan 8.230 nan 0.000 0.409 216 E N 3.047 123.288 120.200 0.068 0.000 2.256 216 E HA 0.326 4.663 4.350 -0.022 0.000 0.268 216 E C -0.345 176.307 176.600 0.087 0.000 0.877 216 E CA -0.555 55.897 56.400 0.087 0.000 0.757 216 E CB 1.684 31.429 29.700 0.075 0.000 1.183 216 E HN 0.601 nan 8.360 nan 0.000 0.418 217 L N 4.342 125.628 121.223 0.104 0.000 2.005 217 L HA 0.205 4.532 4.340 -0.022 0.000 0.207 217 L C 0.058 176.982 176.870 0.091 0.000 1.072 217 L CA 1.312 56.209 54.840 0.095 0.000 0.744 217 L CB 0.164 42.287 42.059 0.107 0.000 0.895 217 L HN 0.485 nan 8.230 nan 0.000 0.433 218 V N 1.655 121.629 119.914 0.101 0.000 2.555 218 V HA 0.120 4.227 4.120 -0.022 0.000 0.286 218 V C -1.309 174.821 176.094 0.059 0.000 1.044 218 V CA -0.809 61.539 62.300 0.081 0.000 1.026 218 V CB 0.679 32.558 31.823 0.093 0.000 0.981 218 V HN 0.200 nan 8.190 nan 0.000 0.480 219 P HA -0.040 nan 4.420 nan 0.000 0.217 219 P C 1.606 178.917 177.300 0.018 0.000 1.151 219 P CA 1.276 64.403 63.100 0.044 0.000 0.828 219 P CB 0.220 31.925 31.700 0.008 0.000 0.788 220 G N -0.749 108.055 108.800 0.006 0.000 2.421 220 G HA2 -0.220 3.727 3.960 -0.022 0.000 0.216 220 G HA3 -0.220 3.727 3.960 -0.022 0.000 0.216 220 G C 1.457 176.341 174.900 -0.027 0.000 1.171 220 G CA 1.376 46.471 45.100 -0.008 0.000 0.775 220 G HN 0.170 nan 8.290 nan 0.000 0.543 221 T N 0.091 114.616 114.554 -0.048 0.000 2.821 221 T HA -0.068 4.269 4.350 -0.022 0.000 0.267 221 T C 2.302 176.979 174.700 -0.039 0.000 1.046 221 T CA 1.156 63.195 62.100 -0.102 0.000 1.139 221 T CB -0.093 68.683 68.868 -0.153 0.000 0.871 221 T HN 0.283 nan 8.240 nan 0.000 0.454 222 R N 0.936 121.436 120.500 -0.001 0.000 2.096 222 R HA -0.057 4.270 4.340 -0.022 0.000 0.235 222 R C 2.551 178.845 176.300 -0.009 0.000 1.127 222 R CA 1.236 57.345 56.100 0.015 0.000 0.968 222 R CB -0.043 30.287 30.300 0.049 0.000 0.861 222 R HN 0.342 nan 8.270 nan 0.000 0.440 223 R N -0.059 120.422 120.500 -0.031 0.000 2.083 223 R HA -0.147 4.180 4.340 -0.022 0.000 0.237 223 R C 2.257 178.505 176.300 -0.087 0.000 1.137 223 R CA 1.432 57.477 56.100 -0.091 0.000 0.951 223 R CB -0.434 29.794 30.300 -0.120 0.000 0.851 223 R HN 0.131 nan 8.270 nan 0.000 0.434 224 L N 0.499 121.707 121.223 -0.025 0.000 2.046 224 L HA -0.138 4.189 4.340 -0.022 0.000 0.208 224 L C 2.528 179.421 176.870 0.039 0.000 1.077 224 L CA 2.000 56.866 54.840 0.043 0.000 0.747 224 L CB -0.944 41.199 42.059 0.139 0.000 0.896 224 L HN 0.197 nan 8.230 nan 0.000 0.432 225 A N -0.734 122.100 122.820 0.023 0.000 1.902 225 A HA -0.143 4.164 4.320 -0.022 0.000 0.217 225 A C 2.328 179.923 177.584 0.018 0.000 1.181 225 A CA 1.490 53.546 52.037 0.033 0.000 0.623 225 A CB -0.753 18.265 19.000 0.030 0.000 0.818 225 A HN 0.376 nan 8.150 nan 0.000 0.443 226 L N -1.222 119.992 121.223 -0.015 0.000 2.046 226 L HA -0.224 4.103 4.340 -0.022 0.000 0.208 226 L C 2.873 179.719 176.870 -0.041 0.000 1.077 226 L CA 1.665 56.487 54.840 -0.030 0.000 0.747 226 L CB -0.546 41.472 42.059 -0.069 0.000 0.896 226 L HN 0.426 nan 8.230 nan 0.000 0.432 227 M N -0.647 118.902 119.600 -0.085 0.000 2.159 227 M HA -0.196 4.270 4.480 -0.022 0.000 0.263 227 M C 2.055 178.351 176.300 -0.007 0.000 1.063 227 M CA 1.488 56.728 55.300 -0.100 0.000 1.110 227 M CB -0.567 31.911 32.600 -0.204 0.000 1.374 227 M HN 0.258 nan 8.290 nan 0.000 0.411 228 N N 0.627 119.358 118.700 0.051 0.000 2.069 228 N HA -0.137 4.590 4.740 -0.022 0.000 0.191 228 N C 1.533 177.188 175.510 0.242 0.000 1.031 228 N CA 1.698 54.851 53.050 0.171 0.000 0.852 228 N CB -0.367 38.221 38.487 0.167 0.000 1.018 228 N HN 0.356 nan 8.380 nan 0.000 0.423 229 C N 0.527 119.904 119.300 0.128 0.000 2.440 229 C HA 0.022 4.469 4.460 -0.022 0.000 0.278 229 C C 2.680 177.734 174.990 0.107 0.000 1.295 229 C CA 0.058 59.143 59.018 0.112 0.000 1.738 229 C CB -1.294 26.471 27.740 0.042 0.000 1.987 229 C HN 0.510 nan 8.230 nan 0.000 0.492 230 L N 0.814 122.076 121.223 0.065 0.000 2.017 230 L HA -0.116 4.211 4.340 -0.022 0.000 0.208 230 L C 2.261 179.159 176.870 0.047 0.000 1.073 230 L CA 2.169 57.041 54.840 0.054 0.000 0.745 230 L CB -1.095 40.988 42.059 0.041 0.000 0.894 230 L HN 0.228 nan 8.230 nan 0.000 0.432 231 L N -0.420 120.815 121.223 0.019 0.000 2.141 231 L HA -0.181 4.146 4.340 -0.022 0.000 0.209 231 L C 2.634 179.414 176.870 -0.150 0.000 1.094 231 L CA 1.265 56.069 54.840 -0.060 0.000 0.763 231 L CB -1.169 40.828 42.059 -0.103 0.000 0.908 231 L HN 0.343 nan 8.230 nan 0.000 0.437 232 H N -0.175 118.904 119.070 0.015 0.000 2.559 232 H HA -0.053 4.490 4.556 -0.022 0.000 0.273 232 H C 0.090 175.410 175.328 -0.012 0.000 1.000 232 H CA 0.886 56.930 56.048 -0.007 0.000 1.195 232 H CB 0.070 29.812 29.762 -0.035 0.000 1.368 232 H HN 0.318 nan 8.280 nan 0.000 0.592 233 D N -0.205 120.234 120.400 0.064 0.000 2.947 233 D HA -0.166 4.461 4.640 -0.022 0.000 0.224 233 D C -0.186 176.128 176.300 0.025 0.000 1.132 233 D CA 0.444 54.468 54.000 0.040 0.000 0.801 233 D CB -1.726 39.093 40.800 0.033 0.000 1.097 233 D HN 0.407 nan 8.370 nan 0.000 0.431 234 I N 1.087 121.677 120.570 0.033 0.000 2.347 234 I HA 0.099 4.255 4.170 -0.022 0.000 0.283 234 I C 1.652 177.771 176.117 0.003 0.000 1.058 234 I CA -0.400 60.903 61.300 0.005 0.000 1.202 234 I CB 0.867 38.861 38.000 -0.009 0.000 1.386 234 I HN -0.117 nan 8.210 nan 0.000 0.475 235 E N 4.222 124.390 120.200 -0.054 0.000 2.046 235 E HA 0.059 4.396 4.350 -0.022 0.000 0.190 235 E C 1.441 178.073 176.600 0.055 0.000 0.982 235 E CA 0.765 57.160 56.400 -0.009 0.000 0.800 235 E CB 0.034 29.711 29.700 -0.038 0.000 0.756 235 E HN 0.874 nan 8.360 nan 0.000 0.449 236 G N 1.607 110.429 108.800 0.036 0.000 2.553 236 G HA2 -0.338 3.609 3.960 -0.022 0.000 0.242 236 G HA3 -0.338 3.609 3.960 -0.022 0.000 0.242 236 G C -0.414 174.619 174.900 0.223 0.000 1.277 236 G CA -0.032 45.136 45.100 0.115 0.000 0.910 236 G HN 0.382 nan 8.290 nan 0.000 0.576 237 N N 0.228 119.028 118.700 0.167 0.000 2.426 237 N HA 0.451 5.178 4.740 -0.022 0.000 0.275 237 N C 1.808 177.399 175.510 0.134 0.000 1.019 237 N CA -0.630 52.520 53.050 0.168 0.000 0.941 237 N CB 0.583 39.208 38.487 0.229 0.000 1.123 237 N HN 0.476 nan 8.380 nan 0.000 0.486 238 L N 2.641 123.916 121.223 0.086 0.000 2.093 238 L HA -0.149 4.178 4.340 -0.022 0.000 0.208 238 L C 1.315 178.179 176.870 -0.010 0.000 1.085 238 L CA 1.020 55.886 54.840 0.044 0.000 0.755 238 L CB -0.309 41.764 42.059 0.024 0.000 0.904 238 L HN 0.627 nan 8.230 nan 0.000 0.435 239 D N -0.862 119.504 120.400 -0.056 0.000 2.104 239 D HA -0.190 4.436 4.640 -0.022 0.000 0.194 239 D C 2.152 178.283 176.300 -0.281 0.000 0.994 239 D CA 1.249 55.137 54.000 -0.187 0.000 0.830 239 D CB -0.211 40.414 40.800 -0.293 0.000 0.959 239 D HN 0.341 nan 8.370 nan 0.000 0.452 240 H N -1.186 117.865 119.070 -0.031 0.000 2.524 240 H HA 0.133 4.676 4.556 -0.022 0.000 0.282 240 H C 1.757 177.038 175.328 -0.078 0.000 1.016 240 H CA 1.329 57.345 56.048 -0.054 0.000 1.270 240 H CB 0.646 30.390 29.762 -0.030 0.000 1.394 240 H HN 0.335 nan 8.280 nan 0.000 0.568 241 G N -0.592 108.223 108.800 0.025 0.000 2.307 241 G HA2 -0.139 3.808 3.960 -0.022 0.000 0.210 241 G HA3 -0.139 3.808 3.960 -0.022 0.000 0.210 241 G C 0.662 175.584 174.900 0.037 0.000 1.005 241 G CA 0.041 45.141 45.100 0.000 0.000 0.634 241 G HN 0.894 nan 8.290 nan 0.000 0.496 242 G N -1.439 107.406 108.800 0.074 0.000 2.367 242 G HA2 0.582 4.529 3.960 -0.022 0.000 0.272 242 G HA3 0.582 4.529 3.960 -0.022 0.000 0.272 242 G C 0.834 175.783 174.900 0.081 0.000 1.271 242 G CA 1.327 46.472 45.100 0.075 0.000 0.893 242 G HN 1.553 nan 8.290 nan 0.000 0.485 243 A N -0.753 122.107 122.820 0.066 0.000 1.873 243 A HA 0.349 4.656 4.320 -0.022 0.000 0.215 243 A C 1.107 178.722 177.584 0.052 0.000 1.186 243 A CA 1.585 53.663 52.037 0.068 0.000 0.616 243 A CB -0.494 18.551 19.000 0.075 0.000 0.823 243 A HN 0.711 nan 8.150 nan 0.000 0.442 244 I N -0.060 120.536 120.570 0.043 0.000 2.342 244 I HA 0.315 4.472 4.170 -0.022 0.000 0.291 244 I C 0.654 176.787 176.117 0.026 0.000 1.010 244 I CA -0.167 61.155 61.300 0.036 0.000 1.308 244 I CB 1.127 39.149 38.000 0.038 0.000 1.400 244 I HN 0.249 nan 8.210 nan 0.000 0.488 245 R N 5.683 126.189 120.500 0.011 0.000 2.532 245 R HA 0.532 4.859 4.340 -0.022 0.000 0.272 245 R C -1.153 175.161 176.300 0.023 0.000 1.032 245 R CA -0.764 55.340 56.100 0.005 0.000 1.089 245 R CB 0.966 31.233 30.300 -0.055 0.000 1.098 245 R HN 0.506 nan 8.270 nan 0.000 0.526 246 L N 3.354 124.593 121.223 0.027 0.000 2.272 246 L HA 0.646 4.972 4.340 -0.022 0.000 0.289 246 L C -0.534 176.374 176.870 0.063 0.000 1.032 246 L CA 0.481 55.359 54.840 0.063 0.000 0.810 246 L CB 0.591 42.722 42.059 0.120 0.000 1.205 246 L HN 0.941 nan 8.230 nan 0.000 0.422 247 G N 4.013 112.849 108.800 0.059 0.000 2.322 247 G HA2 0.062 4.009 3.960 -0.022 0.000 0.295 247 G HA3 0.062 4.009 3.960 -0.022 0.000 0.295 247 G C -1.908 173.013 174.900 0.034 0.000 1.369 247 G CA -0.809 44.317 45.100 0.044 0.000 0.821 247 G HN 0.592 nan 8.290 nan 0.000 0.536 248 N N -0.544 118.165 118.700 0.014 0.000 2.419 248 N HA 0.484 5.210 4.740 -0.022 0.000 0.277 248 N C 1.320 176.797 175.510 -0.056 0.000 1.006 248 N CA 0.156 53.204 53.050 -0.003 0.000 0.923 248 N CB 1.736 40.221 38.487 -0.003 0.000 1.140 248 N HN 0.333 nan 8.380 nan 0.000 0.488 249 T N 3.256 117.748 114.554 -0.102 0.000 2.737 249 T HA -0.030 4.307 4.350 -0.022 0.000 0.265 249 T C 1.690 176.217 174.700 -0.288 0.000 1.038 249 T CA 0.973 62.915 62.100 -0.263 0.000 1.144 249 T CB -0.121 68.515 68.868 -0.387 0.000 0.866 249 T HN 0.458 nan 8.240 nan 0.000 0.434 250 L N 0.536 121.614 121.223 -0.242 0.000 2.275 250 L HA 0.121 4.448 4.340 -0.022 0.000 0.215 250 L C 1.847 178.691 176.870 -0.044 0.000 1.119 250 L CA 0.243 55.007 54.840 -0.127 0.000 0.790 250 L CB -0.792 41.200 42.059 -0.111 0.000 0.919 250 L HN 0.270 nan 8.230 nan 0.000 0.443 251 G N -1.431 107.334 108.800 -0.058 0.000 2.574 251 G HA2 0.141 4.088 3.960 -0.022 0.000 0.248 251 G HA3 0.141 4.088 3.960 -0.022 0.000 0.248 251 G C 0.888 175.756 174.900 -0.053 0.000 1.422 251 G CA 0.002 45.078 45.100 -0.041 0.000 1.051 251 G HN -0.017 nan 8.290 nan 0.000 0.560 252 S N 0.083 115.760 115.700 -0.039 0.000 2.399 252 S HA -0.104 4.353 4.470 -0.022 0.000 0.231 252 S C 1.887 176.470 174.600 -0.028 0.000 1.022 252 S CA 1.396 59.573 58.200 -0.037 0.000 0.983 252 S CB -0.242 62.944 63.200 -0.023 0.000 0.803 252 S HN 0.543 nan 8.310 nan 0.000 0.480 253 D N 1.397 121.784 120.400 -0.021 0.000 2.123 253 D HA -0.074 4.553 4.640 -0.022 0.000 0.196 253 D C 2.191 178.476 176.300 -0.025 0.000 0.992 253 D CA 1.306 55.297 54.000 -0.014 0.000 0.833 253 D CB -0.712 40.083 40.800 -0.009 0.000 0.954 253 D HN 0.484 nan 8.370 nan 0.000 0.455 254 G N 1.549 110.315 108.800 -0.056 0.000 2.446 254 G HA2 -0.292 3.655 3.960 -0.022 0.000 0.217 254 G HA3 -0.292 3.655 3.960 -0.022 0.000 0.217 254 G C 1.468 176.404 174.900 0.061 0.000 1.168 254 G CA 1.148 46.203 45.100 -0.076 0.000 0.771 254 G HN 0.467 nan 8.290 nan 0.000 0.551 255 E N 0.608 120.816 120.200 0.014 0.000 2.106 255 E HA -0.107 4.230 4.350 -0.022 0.000 0.192 255 E C 2.012 178.614 176.600 0.004 0.000 0.984 255 E CA 1.155 57.559 56.400 0.007 0.000 0.806 255 E CB -0.557 29.107 29.700 -0.060 0.000 0.750 255 E HN 0.517 nan 8.360 nan 0.000 0.458 256 N N 0.632 119.331 118.700 -0.002 0.000 2.289 256 N HA -0.052 4.675 4.740 -0.022 0.000 0.184 256 N C 0.358 175.868 175.510 -0.000 0.000 1.016 256 N CA 0.075 53.124 53.050 -0.001 0.000 0.872 256 N CB -0.083 38.408 38.487 0.006 0.000 0.973 256 N HN 0.089 nan 8.380 nan 0.000 0.433 257 L N 1.933 123.163 121.223 0.012 0.000 2.506 257 L HA 0.098 4.425 4.340 -0.022 0.000 0.281 257 L C -2.019 174.849 176.870 -0.003 0.000 1.228 257 L CA -1.349 53.494 54.840 0.005 0.000 0.850 257 L CB 0.054 42.148 42.059 0.058 0.000 1.110 257 L HN 0.036 nan 8.230 nan 0.000 0.496 258 P HA 0.144 nan 4.420 nan 0.000 0.274 258 P C -1.171 176.088 177.300 -0.069 0.000 1.246 258 P CA -0.536 62.548 63.100 -0.028 0.000 0.795 258 P CB 0.437 32.133 31.700 -0.007 0.000 1.006 259 K N 0.281 120.601 120.400 -0.133 0.000 2.219 259 K HA 0.593 4.899 4.320 -0.022 0.000 0.258 259 K C 0.127 176.555 176.600 -0.287 0.000 1.008 259 K CA -0.191 55.881 56.287 -0.358 0.000 0.928 259 K CB 0.516 32.554 32.500 -0.771 0.000 0.983 259 K HN 0.612 nan 8.250 nan 0.000 0.484 260 A N 1.415 124.029 122.820 -0.343 0.000 2.475 260 A HA 0.419 4.726 4.320 -0.022 0.000 0.301 260 A C 0.343 177.918 177.584 -0.015 0.000 1.059 260 A CA -0.668 51.303 52.037 -0.110 0.000 0.710 260 A CB 0.725 19.717 19.000 -0.013 0.000 1.288 260 A HN 0.773 nan 8.150 nan 0.000 0.408 261 H N 0.909 120.137 119.070 0.264 0.000 2.363 261 H HA 0.135 4.678 4.556 -0.022 0.000 0.301 261 H C 0.098 175.494 175.328 0.113 0.000 1.074 261 H CA 1.722 57.900 56.048 0.217 0.000 1.354 261 H CB 0.179 30.020 29.762 0.131 0.000 1.397 261 H HN 0.515 nan 8.280 nan 0.000 0.516 262 I N 0.596 121.282 120.570 0.192 0.000 2.689 262 I HA 0.294 4.450 4.170 -0.022 0.000 0.299 262 I C -0.837 175.317 176.117 0.062 0.000 1.059 262 I CA -0.778 60.584 61.300 0.103 0.000 1.055 262 I CB 3.280 41.339 38.000 0.097 0.000 1.243 262 I HN -0.281 nan 8.210 nan 0.000 0.425 263 V N 3.815 123.734 119.914 0.009 0.000 2.623 263 V HA 0.779 4.885 4.120 -0.022 0.000 0.304 263 V C -0.547 175.497 176.094 -0.084 0.000 1.054 263 V CA -0.517 61.776 62.300 -0.013 0.000 0.882 263 V CB 1.743 33.563 31.823 -0.005 0.000 1.002 263 V HN 0.827 nan 8.190 nan 0.000 0.424 264 A N 3.008 125.752 122.820 -0.126 0.000 2.353 264 A HA 0.918 5.225 4.320 -0.022 0.000 0.299 264 A C -0.482 176.718 177.584 -0.639 0.000 1.089 264 A CA -0.481 51.364 52.037 -0.321 0.000 0.736 264 A CB 1.954 20.854 19.000 -0.166 0.000 1.195 264 A HN 0.836 nan 8.150 nan 0.000 0.447 265 T N 0.963 115.095 114.554 -0.704 0.000 2.840 265 T HA 0.500 4.837 4.350 -0.022 0.000 0.317 265 T C -1.988 172.416 174.700 -0.494 0.000 1.401 265 T CA -0.559 61.146 62.100 -0.659 0.000 1.028 265 T CB 1.455 70.169 68.868 -0.257 0.000 1.317 265 T HN 0.613 nan 8.240 nan 0.000 0.495 266 N N 3.262 121.794 118.700 -0.280 0.000 2.569 266 N HA 0.504 5.231 4.740 -0.022 0.000 0.254 266 N C -2.685 172.759 175.510 -0.110 0.000 1.004 266 N CA -1.688 51.322 53.050 -0.067 0.000 0.904 266 N CB 1.669 40.264 38.487 0.179 0.000 1.165 266 N HN 0.369 nan 8.380 nan 0.000 0.513 267 P HA 0.374 nan 4.420 nan 0.000 0.276 267 P C -2.767 174.336 177.300 -0.328 0.000 1.252 267 P CA -1.234 61.536 63.100 -0.551 0.000 0.802 267 P CB 0.018 31.110 31.700 -1.014 0.000 1.035 268 P HA 0.202 nan 4.420 nan 0.000 0.275 268 P C -0.652 176.607 177.300 -0.069 0.000 1.228 268 P CA 0.209 63.256 63.100 -0.089 0.000 0.786 268 P CB 0.280 31.908 31.700 -0.120 0.000 0.927 269 F N 0.810 120.645 119.950 -0.192 0.000 2.408 269 F HA 0.606 5.122 4.527 -0.018 0.000 0.325 269 F C 1.587 177.323 175.800 -0.108 0.000 1.082 269 F CA 0.604 58.511 58.000 -0.155 0.000 1.032 269 F CB 0.353 39.258 39.000 -0.157 0.000 1.259 269 F HN 0.714 nan 8.300 nan 0.000 0.503 270 G N 0.600 109.444 108.800 0.073 0.000 2.681 270 G HA2 -0.250 3.696 3.960 -0.022 0.000 0.220 270 G HA3 -0.250 3.696 3.960 -0.022 0.000 0.220 270 G C 0.726 175.628 174.900 0.003 0.000 1.353 270 G CA -0.107 45.016 45.100 0.038 0.000 0.872 270 G HN 0.882 nan 8.290 nan 0.000 0.557 271 S N -0.309 115.396 115.700 0.008 0.000 2.402 271 S HA 0.349 4.806 4.470 -0.022 0.000 0.229 271 S C 1.466 176.075 174.600 0.016 0.000 1.021 271 S CA 2.324 60.528 58.200 0.007 0.000 0.974 271 S CB -0.986 62.220 63.200 0.010 0.000 0.800 271 S HN 2.749 nan 8.310 nan 0.000 0.484 272 A N -0.668 122.161 122.820 0.015 0.000 2.861 272 A HA 0.341 4.648 4.320 -0.022 0.000 0.668 272 A C 0.289 177.888 177.584 0.024 0.000 0.438 272 A CA -0.284 51.763 52.037 0.018 0.000 0.161 272 A CB -1.766 17.264 19.000 0.050 0.000 3.864 272 A HN 1.559 nan 8.150 nan 0.000 0.539 273 A N -0.155 122.684 122.820 0.032 0.000 2.267 273 A HA 0.665 4.972 4.320 -0.022 0.000 0.271 273 A C 1.342 178.955 177.584 0.049 0.000 1.131 273 A CA 0.566 52.628 52.037 0.042 0.000 0.818 273 A CB -0.451 18.587 19.000 0.063 0.000 1.118 273 A HN 2.665 nan 8.150 nan 0.000 0.501 274 G N 0.639 109.467 108.800 0.046 0.000 2.369 274 G HA2 0.421 4.368 3.960 -0.022 0.000 0.287 274 G HA3 0.421 4.368 3.960 -0.022 0.000 0.287 274 G C 0.191 175.119 174.900 0.047 0.000 1.009 274 G CA 0.783 45.907 45.100 0.041 0.000 1.393 274 G HN 1.282 nan 8.290 nan 0.000 0.432 275 T N 0.299 114.880 114.554 0.046 0.000 2.985 275 T HA 0.351 4.688 4.350 -0.022 0.000 0.315 275 T C -0.175 174.542 174.700 0.030 0.000 1.001 275 T CA -1.234 60.893 62.100 0.045 0.000 1.016 275 T CB 0.930 69.839 68.868 0.068 0.000 0.993 275 T HN 0.537 nan 8.240 nan 0.000 0.454 276 N N 3.632 122.345 118.700 0.022 0.000 2.529 276 N HA 0.251 4.978 4.740 -0.022 0.000 0.278 276 N C -0.362 175.158 175.510 0.016 0.000 1.146 276 N CA -0.730 52.331 53.050 0.017 0.000 0.980 276 N CB 1.498 39.994 38.487 0.015 0.000 1.124 276 N HN 0.631 nan 8.380 nan 0.000 0.458 277 I N 1.769 122.353 120.570 0.024 0.000 2.257 277 I HA -0.008 4.149 4.170 -0.022 0.000 0.290 277 I C 1.496 177.643 176.117 0.050 0.000 1.137 277 I CA -0.398 60.931 61.300 0.048 0.000 1.255 277 I CB 0.065 38.103 38.000 0.063 0.000 1.485 277 I HN 0.660 nan 8.210 nan 0.000 0.534 278 T N 1.032 115.600 114.554 0.023 0.000 3.035 278 T HA -0.049 4.288 4.350 -0.022 0.000 0.268 278 T C 1.080 175.769 174.700 -0.019 0.000 1.109 278 T CA 0.314 62.414 62.100 0.001 0.000 1.119 278 T CB 0.075 68.936 68.868 -0.010 0.000 0.900 278 T HN 0.433 nan 8.240 nan 0.000 0.503 279 R N 1.192 121.679 120.500 -0.021 0.000 2.486 279 R HA 0.414 4.740 4.340 -0.022 0.000 0.286 279 R C -0.784 175.402 176.300 -0.190 0.000 0.999 279 R CA -0.423 55.584 56.100 -0.154 0.000 0.993 279 R CB 0.803 30.934 30.300 -0.281 0.000 1.084 279 R HN 0.089 nan 8.270 nan 0.000 0.487 280 T N 3.341 117.720 114.554 -0.291 0.000 2.913 280 T HA 0.399 4.736 4.350 -0.022 0.000 0.287 280 T C -0.724 173.680 174.700 -0.493 0.000 1.008 280 T CA 0.130 62.106 62.100 -0.206 0.000 1.067 280 T CB 0.445 69.228 68.868 -0.142 0.000 0.996 280 T HN 0.339 nan 8.240 nan 0.000 0.513 281 F N -0.608 119.313 119.950 -0.049 0.000 2.675 281 F HA 0.396 4.910 4.527 -0.021 0.000 0.324 281 F C 1.251 176.998 175.800 -0.089 0.000 1.106 281 F CA -1.090 56.877 58.000 -0.053 0.000 0.970 281 F CB 0.810 39.789 39.000 -0.034 0.000 1.385 281 F HN 0.255 nan 8.300 nan 0.000 0.489 282 V N -0.287 119.694 119.914 0.111 0.000 2.295 282 V HA -0.196 3.910 4.120 -0.022 0.000 0.246 282 V C 0.210 176.108 176.094 -0.325 0.000 1.049 282 V CA 1.521 63.739 62.300 -0.137 0.000 1.024 282 V CB -0.648 31.085 31.823 -0.150 0.000 0.648 282 V HN 0.483 nan 8.190 nan 0.000 0.447 283 H N -0.281 118.840 119.070 0.084 0.000 2.762 283 H HA 0.358 4.901 4.556 -0.022 0.000 0.310 283 H C -2.630 172.724 175.328 0.043 0.000 1.004 283 H CA -2.271 53.799 56.048 0.036 0.000 1.267 283 H CB 1.418 31.174 29.762 -0.009 0.000 1.437 283 H HN 0.242 nan 8.280 nan 0.000 0.498 284 P HA 0.128 nan 4.420 nan 0.000 0.271 284 P C -0.314 177.016 177.300 0.051 0.000 1.216 284 P CA 0.222 63.389 63.100 0.111 0.000 0.771 284 P CB 0.951 32.705 31.700 0.091 0.000 0.864 285 T N 0.978 115.529 114.554 -0.005 0.000 2.889 285 T HA 0.188 4.524 4.350 -0.022 0.000 0.315 285 T C 0.942 175.612 174.700 -0.051 0.000 1.291 285 T CA -0.377 61.700 62.100 -0.039 0.000 1.028 285 T CB 1.367 70.188 68.868 -0.079 0.000 1.235 285 T HN -0.003 nan 8.240 nan 0.000 0.491 286 S N 1.128 116.803 115.700 -0.042 0.000 2.461 286 S HA 0.003 4.459 4.470 -0.022 0.000 0.228 286 S C 0.926 175.494 174.600 -0.053 0.000 1.005 286 S CA 0.308 58.487 58.200 -0.036 0.000 0.942 286 S CB -0.301 62.884 63.200 -0.025 0.000 0.776 286 S HN 0.664 nan 8.310 nan 0.000 0.514 287 N N 1.845 120.498 118.700 -0.078 0.000 2.434 287 N HA -0.005 4.722 4.740 -0.022 0.000 0.268 287 N C 1.105 176.560 175.510 -0.092 0.000 1.256 287 N CA -0.084 52.911 53.050 -0.092 0.000 0.914 287 N CB 0.434 38.847 38.487 -0.124 0.000 1.088 287 N HN -0.065 nan 8.380 nan 0.000 0.478 288 K N 2.505 122.876 120.400 -0.048 0.000 2.057 288 K HA -0.152 4.155 4.320 -0.022 0.000 0.206 288 K C 1.496 178.155 176.600 0.099 0.000 1.050 288 K CA 1.527 57.829 56.287 0.025 0.000 0.935 288 K CB -0.156 32.391 32.500 0.077 0.000 0.715 288 K HN 0.647 nan 8.250 nan 0.000 0.439 289 Q N 0.768 120.550 119.800 -0.029 0.000 2.084 289 Q HA 0.001 4.328 4.340 -0.022 0.000 0.202 289 Q C 2.224 178.187 176.000 -0.062 0.000 0.978 289 Q CA 0.987 56.736 55.803 -0.090 0.000 0.844 289 Q CB -0.242 28.323 28.738 -0.287 0.000 0.898 289 Q HN 0.212 nan 8.270 nan 0.000 0.426 290 L N -0.680 120.467 121.223 -0.128 0.000 2.083 290 L HA -0.228 4.099 4.340 -0.022 0.000 0.209 290 L C 2.242 178.985 176.870 -0.211 0.000 1.083 290 L CA 0.711 55.454 54.840 -0.161 0.000 0.752 290 L CB -0.477 41.477 42.059 -0.175 0.000 0.899 290 L HN 0.382 nan 8.230 nan 0.000 0.433 291 C N -0.640 118.492 119.300 -0.280 0.000 2.429 291 C HA -0.177 4.270 4.460 -0.022 0.000 0.277 291 C C 2.614 177.317 174.990 -0.479 0.000 1.262 291 C CA 0.436 59.078 59.018 -0.626 0.000 1.733 291 C CB -1.002 26.371 27.740 -0.611 0.000 2.010 291 C HN 0.397 nan 8.230 nan 0.000 0.483 292 F N 0.269 120.079 119.950 -0.233 0.000 2.134 292 F HA -0.189 4.326 4.527 -0.020 0.000 0.299 292 F C 2.469 178.253 175.800 -0.027 0.000 1.097 292 F CA 1.839 59.784 58.000 -0.091 0.000 1.264 292 F CB -0.634 38.309 39.000 -0.095 0.000 1.001 292 F HN 0.089 nan 8.300 nan 0.000 0.479 293 M N 0.179 119.828 119.600 0.083 0.000 2.117 293 M HA -0.236 4.231 4.480 -0.022 0.000 0.262 293 M C 2.093 178.408 176.300 0.026 0.000 1.065 293 M CA 1.786 57.108 55.300 0.036 0.000 1.114 293 M CB -0.556 32.009 32.600 -0.058 0.000 1.361 293 M HN 0.143 nan 8.290 nan 0.000 0.408 294 Q N -1.822 117.958 119.800 -0.034 0.000 2.124 294 Q HA -0.246 4.081 4.340 -0.022 0.000 0.202 294 Q C 2.085 178.196 176.000 0.184 0.000 0.977 294 Q CA 1.868 57.702 55.803 0.051 0.000 0.850 294 Q CB -0.515 28.251 28.738 0.047 0.000 0.901 294 Q HN 0.717 nan 8.270 nan 0.000 0.429 295 H N 0.802 119.961 119.070 0.149 0.000 2.353 295 H HA -0.092 4.451 4.556 -0.022 0.000 0.300 295 H C 1.797 177.187 175.328 0.103 0.000 1.090 295 H CA 1.753 57.909 56.048 0.181 0.000 1.327 295 H CB -0.105 29.712 29.762 0.091 0.000 1.383 295 H HN 0.144 nan 8.280 nan 0.000 0.508 296 I N -0.025 120.613 120.570 0.114 0.000 2.226 296 I HA -0.249 3.908 4.170 -0.022 0.000 0.245 296 I C 2.209 178.343 176.117 0.029 0.000 1.100 296 I CA 1.315 62.658 61.300 0.072 0.000 1.374 296 I CB -0.257 37.864 38.000 0.201 0.000 1.057 296 I HN 0.317 nan 8.210 nan 0.000 0.413 297 I N 0.550 121.154 120.570 0.056 0.000 2.226 297 I HA -0.284 3.873 4.170 -0.022 0.000 0.245 297 I C 2.623 178.736 176.117 -0.007 0.000 1.100 297 I CA 1.389 62.721 61.300 0.054 0.000 1.374 297 I CB -0.344 37.665 38.000 0.015 0.000 1.057 297 I HN 0.235 nan 8.210 nan 0.000 0.413 298 E N 1.213 121.375 120.200 -0.065 0.000 2.051 298 E HA -0.221 4.116 4.350 -0.022 0.000 0.192 298 E C 2.160 178.651 176.600 -0.182 0.000 0.991 298 E CA 2.468 58.803 56.400 -0.108 0.000 0.799 298 E CB -0.311 29.317 29.700 -0.119 0.000 0.748 298 E HN 0.540 nan 8.360 nan 0.000 0.449 299 T N -0.878 113.493 114.554 -0.304 0.000 2.867 299 T HA -0.067 4.270 4.350 -0.022 0.000 0.268 299 T C 1.135 175.666 174.700 -0.281 0.000 1.057 299 T CA 0.487 62.396 62.100 -0.320 0.000 1.136 299 T CB -0.530 68.113 68.868 -0.375 0.000 0.874 299 T HN 0.070 nan 8.240 nan 0.000 0.466 300 L N 2.449 123.577 121.223 -0.158 0.000 2.514 300 L HA 0.144 4.471 4.340 -0.022 0.000 0.280 300 L C 1.113 177.914 176.870 -0.115 0.000 1.223 300 L CA -0.343 54.442 54.840 -0.091 0.000 0.864 300 L CB 0.158 42.254 42.059 0.061 0.000 1.118 300 L HN 0.391 nan 8.230 nan 0.000 0.494 301 H N 2.532 121.603 119.070 0.001 0.000 2.603 301 H HA 0.192 4.735 4.556 -0.022 0.000 0.370 301 H C -2.046 173.325 175.328 0.071 0.000 1.225 301 H CA -1.778 54.278 56.048 0.014 0.000 1.410 301 H CB 0.475 30.238 29.762 0.001 0.000 1.495 301 H HN 0.311 nan 8.280 nan 0.000 0.602 302 P HA 0.020 nan 4.420 nan 0.000 0.267 302 P C 0.730 178.139 177.300 0.181 0.000 1.205 302 P CA 0.909 64.105 63.100 0.160 0.000 0.765 302 P CB 0.309 32.080 31.700 0.119 0.000 0.828 303 G N 2.008 110.915 108.800 0.180 0.000 2.143 303 G HA2 -0.159 3.788 3.960 -0.022 0.000 0.248 303 G HA3 -0.159 3.788 3.960 -0.022 0.000 0.248 303 G C 0.608 175.676 174.900 0.281 0.000 0.991 303 G CA -0.157 45.066 45.100 0.205 0.000 0.689 303 G HN 0.869 nan 8.290 nan 0.000 0.522 304 G N -0.990 107.963 108.800 0.255 0.000 2.580 304 G HA2 0.684 4.631 3.960 -0.022 0.000 0.278 304 G HA3 0.684 4.631 3.960 -0.022 0.000 0.278 304 G C 0.057 175.076 174.900 0.199 0.000 1.212 304 G CA -0.507 44.733 45.100 0.235 0.000 0.939 304 G HN 0.571 nan 8.290 nan 0.000 0.513 305 R N -1.450 119.110 120.500 0.099 0.000 2.774 305 R HA 0.728 5.055 4.340 -0.022 0.000 0.272 305 R C -0.897 175.339 176.300 -0.106 0.000 1.000 305 R CA -0.548 55.553 56.100 0.001 0.000 0.906 305 R CB 2.431 32.690 30.300 -0.069 0.000 1.227 305 R HN 0.883 nan 8.270 nan 0.000 0.468 306 A N 0.487 123.113 122.820 -0.323 0.000 2.586 306 A HA 0.798 5.105 4.320 -0.022 0.000 0.291 306 A C -1.944 175.326 177.584 -0.524 0.000 1.062 306 A CA -0.499 51.322 52.037 -0.361 0.000 0.666 306 A CB 1.778 20.583 19.000 -0.325 0.000 1.281 306 A HN 0.724 nan 8.150 nan 0.000 0.421 307 A N 0.230 122.823 122.820 -0.377 0.000 2.371 307 A HA 0.786 5.093 4.320 -0.022 0.000 0.311 307 A C -1.119 176.234 177.584 -0.385 0.000 1.068 307 A CA -0.526 51.203 52.037 -0.513 0.000 0.744 307 A CB 1.447 20.183 19.000 -0.440 0.000 1.239 307 A HN 1.701 nan 8.150 nan 0.000 0.435 308 V N 2.288 121.993 119.914 -0.347 0.000 2.709 308 V HA 0.416 4.522 4.120 -0.022 0.000 0.308 308 V C -0.272 175.716 176.094 -0.177 0.000 1.062 308 V CA -0.684 61.492 62.300 -0.206 0.000 0.901 308 V CB 1.898 33.678 31.823 -0.072 0.000 1.003 308 V HN 0.707 nan 8.190 nan 0.000 0.425 309 V N 5.159 125.001 119.914 -0.121 0.000 2.498 309 V HA 0.641 4.748 4.120 -0.022 0.000 0.279 309 V C 0.009 176.053 176.094 -0.084 0.000 1.048 309 V CA -0.114 62.171 62.300 -0.024 0.000 0.967 309 V CB 1.411 33.303 31.823 0.113 0.000 0.988 309 V HN 0.803 nan 8.190 nan 0.000 0.473 310 V N 3.397 123.263 119.914 -0.080 0.000 3.147 310 V HA 0.765 4.871 4.120 -0.022 0.000 0.306 310 V C -2.907 173.099 176.094 -0.146 0.000 1.209 310 V CA -2.350 59.802 62.300 -0.248 0.000 1.023 310 V CB 2.416 34.109 31.823 -0.216 0.000 1.059 310 V HN 0.612 nan 8.190 nan 0.000 0.435 311 P HA 0.385 nan 4.420 nan 0.000 0.276 311 P C -0.376 176.900 177.300 -0.040 0.000 1.261 311 P CA -0.025 63.061 63.100 -0.023 0.000 0.800 311 P CB 0.919 32.574 31.700 -0.075 0.000 1.066 312 D N -0.101 120.338 120.400 0.065 0.000 2.264 312 D HA -0.128 4.499 4.640 -0.022 0.000 0.208 312 D C 1.371 177.715 176.300 0.074 0.000 0.966 312 D CA 1.131 55.209 54.000 0.129 0.000 0.864 312 D CB -0.576 40.361 40.800 0.229 0.000 0.933 312 D HN 0.325 nan 8.370 nan 0.000 0.499 313 N N 0.012 118.679 118.700 -0.055 0.000 2.061 313 N HA -0.142 4.585 4.740 -0.022 0.000 0.193 313 N C 1.857 176.877 175.510 -0.817 0.000 1.030 313 N CA 0.747 53.527 53.050 -0.451 0.000 0.856 313 N CB -0.668 37.678 38.487 -0.236 0.000 1.023 313 N HN 0.119 nan 8.380 nan 0.000 0.424 314 V N 1.388 121.035 119.914 -0.444 0.000 2.407 314 V HA -0.175 3.932 4.120 -0.022 0.000 0.248 314 V C 2.292 178.161 176.094 -0.374 0.000 1.055 314 V CA 1.227 63.301 62.300 -0.377 0.000 1.049 314 V CB -0.677 30.989 31.823 -0.261 0.000 0.662 314 V HN 0.244 nan 8.190 nan 0.000 0.455 315 L N -0.139 120.910 121.223 -0.289 0.000 1.976 315 L HA -0.177 4.150 4.340 -0.022 0.000 0.209 315 L C 2.562 179.341 176.870 -0.152 0.000 1.071 315 L CA 2.350 57.103 54.840 -0.144 0.000 0.746 315 L CB -0.825 41.240 42.059 0.009 0.000 0.890 315 L HN 0.523 nan 8.230 nan 0.000 0.432 316 F N 0.030 119.939 119.950 -0.067 0.000 2.335 316 F HA 0.118 4.631 4.527 -0.024 0.000 0.296 316 F C 1.292 177.049 175.800 -0.071 0.000 1.091 316 F CA -0.448 57.511 58.000 -0.069 0.000 1.399 316 F CB -0.971 37.992 39.000 -0.063 0.000 1.067 316 F HN -0.053 nan 8.300 nan 0.000 0.520 317 E N 1.666 121.378 120.200 -0.815 0.000 2.608 317 E HA 0.238 4.575 4.350 -0.022 0.000 0.259 317 E C 0.737 177.238 176.600 -0.164 0.000 0.951 317 E CA 0.305 56.464 56.400 -0.401 0.000 0.945 317 E CB 0.354 29.775 29.700 -0.465 0.000 0.916 317 E HN 0.464 nan 8.360 nan 0.000 0.477 318 G N 2.573 111.341 108.800 -0.054 0.000 2.574 318 G HA2 0.558 4.504 3.960 -0.022 0.000 0.248 318 G HA3 0.558 4.504 3.960 -0.022 0.000 0.248 318 G C 0.565 175.422 174.900 -0.070 0.000 1.422 318 G CA -0.078 44.991 45.100 -0.050 0.000 1.051 318 G HN 0.996 nan 8.290 nan 0.000 0.560 319 G N -0.334 108.431 108.800 -0.059 0.000 2.531 319 G HA2 -0.279 3.668 3.960 -0.022 0.000 0.274 319 G HA3 -0.279 3.668 3.960 -0.022 0.000 0.274 319 G C 1.255 176.101 174.900 -0.089 0.000 1.159 319 G CA 0.706 45.770 45.100 -0.061 0.000 0.969 319 G HN 0.674 nan 8.290 nan 0.000 0.554 320 K N 1.716 122.061 120.400 -0.090 0.000 2.209 320 K HA -0.033 4.273 4.320 -0.022 0.000 0.204 320 K C 2.766 179.267 176.600 -0.166 0.000 1.048 320 K CA 1.867 58.082 56.287 -0.120 0.000 0.940 320 K CB -1.109 31.346 32.500 -0.075 0.000 0.729 320 K HN 0.717 nan 8.250 nan 0.000 0.451 321 G N 0.516 109.227 108.800 -0.149 0.000 2.442 321 G HA2 -0.295 3.652 3.960 -0.022 0.000 0.219 321 G HA3 -0.295 3.652 3.960 -0.022 0.000 0.219 321 G C 1.661 176.456 174.900 -0.176 0.000 1.141 321 G CA 1.608 46.603 45.100 -0.174 0.000 0.763 321 G HN 0.363 nan 8.290 nan 0.000 0.554 322 T N 0.118 114.580 114.554 -0.154 0.000 2.746 322 T HA -0.101 4.236 4.350 -0.022 0.000 0.267 322 T C 2.041 176.633 174.700 -0.180 0.000 1.039 322 T CA 1.819 63.834 62.100 -0.142 0.000 1.142 322 T CB -0.387 68.415 68.868 -0.109 0.000 0.866 322 T HN 0.225 nan 8.240 nan 0.000 0.444 323 D N 0.772 121.021 120.400 -0.251 0.000 2.097 323 D HA -0.040 4.587 4.640 -0.022 0.000 0.195 323 D C 2.119 178.158 176.300 -0.435 0.000 0.989 323 D CA 1.138 54.895 54.000 -0.405 0.000 0.827 323 D CB -0.293 40.092 40.800 -0.691 0.000 0.966 323 D HN 0.466 nan 8.370 nan 0.000 0.456 324 I N 0.849 121.203 120.570 -0.360 0.000 2.226 324 I HA -0.227 3.930 4.170 -0.022 0.000 0.245 324 I C 2.563 178.589 176.117 -0.152 0.000 1.100 324 I CA 0.938 62.117 61.300 -0.202 0.000 1.374 324 I CB -0.136 37.777 38.000 -0.145 0.000 1.057 324 I HN -0.104 nan 8.210 nan 0.000 0.413 325 R N 0.595 120.999 120.500 -0.161 0.000 2.081 325 R HA -0.136 4.191 4.340 -0.022 0.000 0.235 325 R C 2.461 178.695 176.300 -0.110 0.000 1.131 325 R CA 1.334 57.353 56.100 -0.135 0.000 0.960 325 R CB -0.330 29.894 30.300 -0.127 0.000 0.856 325 R HN 0.361 nan 8.270 nan 0.000 0.436 326 R N 0.258 120.693 120.500 -0.108 0.000 2.096 326 R HA -0.136 4.191 4.340 -0.022 0.000 0.235 326 R C 1.889 178.161 176.300 -0.048 0.000 1.127 326 R CA 1.546 57.603 56.100 -0.072 0.000 0.968 326 R CB -0.336 29.921 30.300 -0.072 0.000 0.861 326 R HN 0.195 nan 8.270 nan 0.000 0.440 327 D N 0.731 121.101 120.400 -0.049 0.000 2.117 327 D HA -0.157 4.470 4.640 -0.022 0.000 0.197 327 D C 1.738 178.021 176.300 -0.027 0.000 0.987 327 D CA 0.724 54.729 54.000 0.008 0.000 0.829 327 D CB 0.038 40.888 40.800 0.083 0.000 0.961 327 D HN 0.016 nan 8.370 nan 0.000 0.460 328 L N -0.023 121.150 121.223 -0.084 0.000 2.017 328 L HA -0.074 4.252 4.340 -0.022 0.000 0.208 328 L C 2.278 179.078 176.870 -0.117 0.000 1.073 328 L CA 1.656 56.402 54.840 -0.156 0.000 0.745 328 L CB -0.510 41.404 42.059 -0.242 0.000 0.894 328 L HN 0.110 nan 8.230 nan 0.000 0.432 329 M N -1.099 118.459 119.600 -0.070 0.000 2.175 329 M HA -0.174 4.293 4.480 -0.022 0.000 0.264 329 M C 1.831 178.144 176.300 0.023 0.000 1.063 329 M CA 1.514 56.803 55.300 -0.019 0.000 1.119 329 M CB -0.599 31.999 32.600 -0.004 0.000 1.377 329 M HN 0.264 nan 8.290 nan 0.000 0.415 330 D N 0.826 121.236 120.400 0.017 0.000 2.078 330 D HA -0.117 4.510 4.640 -0.022 0.000 0.193 330 D C 1.953 178.284 176.300 0.052 0.000 0.990 330 D CA 1.409 55.432 54.000 0.039 0.000 0.827 330 D CB -0.145 40.675 40.800 0.034 0.000 0.975 330 D HN 0.334 nan 8.370 nan 0.000 0.451 331 K N -0.503 119.919 120.400 0.036 0.000 2.062 331 K HA -0.007 4.300 4.320 -0.022 0.000 0.205 331 K C 0.930 177.579 176.600 0.081 0.000 1.051 331 K CA 0.497 56.813 56.287 0.049 0.000 0.941 331 K CB 0.222 32.740 32.500 0.030 0.000 0.719 331 K HN 0.133 nan 8.250 nan 0.000 0.440 332 C N -0.228 119.108 119.300 0.059 0.000 2.486 332 C HA 0.263 4.710 4.460 -0.022 0.000 0.348 332 C C -0.001 175.121 174.990 0.219 0.000 1.203 332 C CA -1.052 58.053 59.018 0.145 0.000 1.911 332 C CB 1.051 28.809 27.740 0.029 0.000 2.340 332 C HN 0.428 nan 8.230 nan 0.000 0.511 333 H N 1.986 121.213 119.070 0.263 0.000 2.724 333 H HA 0.378 4.921 4.556 -0.021 0.000 0.278 333 H C -1.176 174.403 175.328 0.419 0.000 1.159 333 H CA -0.455 55.767 56.048 0.290 0.000 1.254 333 H CB 0.673 30.610 29.762 0.291 0.000 1.412 333 H HN 0.555 nan 8.280 nan 0.000 0.488 334 L N 8.220 129.456 121.223 0.023 0.000 2.312 334 L HA 0.088 4.415 4.340 -0.022 0.000 0.287 334 L C 1.358 178.193 176.870 -0.058 0.000 1.091 334 L CA -0.154 54.733 54.840 0.077 0.000 0.846 334 L CB -0.031 42.056 42.059 0.047 0.000 1.219 334 L HN 0.675 nan 8.230 nan 0.000 0.439 335 H N 1.316 120.414 119.070 0.048 0.000 2.355 335 H HA 0.209 4.753 4.556 -0.021 0.000 0.303 335 H C -0.185 175.361 175.328 0.364 0.000 1.061 335 H CA 0.398 56.536 56.048 0.150 0.000 1.368 335 H CB -0.106 29.828 29.762 0.287 0.000 1.412 335 H HN 0.471 nan 8.280 nan 0.000 0.523 336 T N 1.413 116.045 114.554 0.131 0.000 2.906 336 T HA 0.641 4.978 4.350 -0.022 0.000 0.295 336 T C -0.342 174.671 174.700 0.521 0.000 1.061 336 T CA -0.626 61.743 62.100 0.448 0.000 1.000 336 T CB 2.445 71.672 68.868 0.599 0.000 1.103 336 T HN 0.132 nan 8.240 nan 0.000 0.486 337 I N 2.249 123.135 120.570 0.527 0.000 2.619 337 I HA 0.507 4.664 4.170 -0.022 0.000 0.292 337 I C -1.472 174.927 176.117 0.469 0.000 1.100 337 I CA -1.021 60.548 61.300 0.448 0.000 1.043 337 I CB 2.212 40.386 38.000 0.290 0.000 1.239 337 I HN 0.316 nan 8.210 nan 0.000 0.420 338 L N 6.454 127.901 121.223 0.374 0.000 2.333 338 L HA 0.552 4.879 4.340 -0.022 0.000 0.280 338 L C -0.656 176.291 176.870 0.128 0.000 1.004 338 L CA -0.203 54.753 54.840 0.194 0.000 0.820 338 L CB 1.317 43.321 42.059 -0.092 0.000 1.247 338 L HN 0.476 nan 8.230 nan 0.000 0.416 339 R N 5.670 126.240 120.500 0.116 0.000 2.207 339 R HA 0.531 4.858 4.340 -0.022 0.000 0.334 339 R C -0.904 175.407 176.300 0.017 0.000 1.013 339 R CA -0.619 55.508 56.100 0.045 0.000 0.858 339 R CB 0.878 31.169 30.300 -0.014 0.000 1.094 339 R HN 0.619 nan 8.270 nan 0.000 0.457 340 L N 5.094 126.317 121.223 0.001 0.000 2.418 340 L HA 0.405 4.732 4.340 -0.022 0.000 0.265 340 L C -1.753 175.070 176.870 -0.077 0.000 1.143 340 L CA -1.990 52.821 54.840 -0.049 0.000 0.809 340 L CB 0.707 42.749 42.059 -0.028 0.000 1.124 340 L HN 0.333 nan 8.230 nan 0.000 0.456 341 P HA 0.173 nan 4.420 nan 0.000 0.279 341 P C -0.813 176.412 177.300 -0.125 0.000 1.282 341 P CA -0.374 62.652 63.100 -0.124 0.000 0.788 341 P CB 0.671 32.297 31.700 -0.124 0.000 1.139 342 T N -5.781 108.747 114.554 -0.043 0.000 2.950 342 T HA 0.590 4.927 4.350 -0.022 0.000 0.288 342 T C 0.892 175.593 174.700 0.002 0.000 1.035 342 T CA 0.037 62.124 62.100 -0.021 0.000 1.028 342 T CB 0.942 69.807 68.868 -0.005 0.000 1.109 342 T HN 0.763 nan 8.240 nan 0.000 0.514 343 G N 0.791 109.590 108.800 -0.002 0.000 2.194 343 G HA2 -0.302 3.645 3.960 -0.022 0.000 0.236 343 G HA3 -0.302 3.645 3.960 -0.022 0.000 0.236 343 G C 0.845 175.723 174.900 -0.036 0.000 0.987 343 G CA 0.408 45.519 45.100 0.017 0.000 0.635 343 G HN 1.327 nan 8.290 nan 0.000 0.520 344 I N -2.420 118.036 120.570 -0.189 0.000 2.252 344 I HA 0.346 4.503 4.170 -0.022 0.000 0.245 344 I C 1.618 177.584 176.117 -0.252 0.000 1.102 344 I CA 0.418 61.477 61.300 -0.401 0.000 1.385 344 I CB -0.335 37.150 38.000 -0.860 0.000 1.064 344 I HN 0.028 nan 8.210 nan 0.000 0.414 345 F N 0.660 120.598 119.950 -0.020 0.000 2.375 345 F HA 0.185 4.696 4.527 -0.027 0.000 0.313 345 F C 1.597 177.452 175.800 0.092 0.000 1.176 345 F CA -0.452 57.637 58.000 0.149 0.000 1.142 345 F CB 0.094 39.094 39.000 0.001 0.000 1.275 345 F HN 0.023 nan 8.300 nan 0.000 0.544 346 Y N 1.215 121.654 120.300 0.230 0.000 2.181 346 Y HA 0.145 4.686 4.550 -0.015 0.000 0.288 346 Y C 0.844 176.737 175.900 -0.012 0.000 1.146 346 Y CA 0.081 58.148 58.100 -0.055 0.000 1.164 346 Y CB -1.118 37.275 38.460 -0.111 0.000 0.982 346 Y HN 0.319 nan 8.280 nan 0.000 0.515 347 A N 2.386 124.757 122.820 -0.749 0.000 2.363 347 A HA 0.171 4.478 4.320 -0.022 0.000 0.270 347 A C 1.311 178.714 177.584 -0.301 0.000 1.121 347 A CA -0.257 51.320 52.037 -0.767 0.000 0.800 347 A CB 0.617 19.280 19.000 -0.561 0.000 1.052 347 A HN 0.560 nan 8.150 nan 0.000 0.493 348 Q N 2.462 122.112 119.800 -0.250 0.000 2.062 348 Q HA -0.081 4.246 4.340 -0.022 0.000 0.196 348 Q C 1.950 177.890 176.000 -0.100 0.000 0.967 348 Q CA 2.142 57.865 55.803 -0.134 0.000 0.832 348 Q CB -0.473 28.196 28.738 -0.115 0.000 0.899 348 Q HN 0.948 nan 8.270 nan 0.000 0.442 349 G N 1.007 109.740 108.800 -0.112 0.000 2.408 349 G HA2 -0.095 3.852 3.960 -0.022 0.000 0.217 349 G HA3 -0.095 3.852 3.960 -0.022 0.000 0.217 349 G C 0.744 175.601 174.900 -0.071 0.000 1.150 349 G CA 0.844 45.897 45.100 -0.079 0.000 0.776 349 G HN 0.328 nan 8.290 nan 0.000 0.542 350 V N -1.206 118.643 119.914 -0.107 0.000 2.694 350 V HA 0.345 4.452 4.120 -0.022 0.000 0.306 350 V C -0.284 175.764 176.094 -0.077 0.000 1.054 350 V CA -0.730 61.502 62.300 -0.113 0.000 1.161 350 V CB 0.590 32.249 31.823 -0.274 0.000 0.916 350 V HN 0.204 nan 8.190 nan 0.000 0.490 351 K N 3.764 124.153 120.400 -0.018 0.000 2.206 351 K HA 0.661 4.968 4.320 -0.022 0.000 0.264 351 K C 0.024 176.648 176.600 0.040 0.000 0.967 351 K CA -0.289 56.002 56.287 0.007 0.000 0.844 351 K CB 1.992 34.506 32.500 0.022 0.000 1.099 351 K HN 1.049 nan 8.250 nan 0.000 0.441 352 T N -0.252 114.321 114.554 0.032 0.000 2.916 352 T HA 0.578 4.915 4.350 -0.022 0.000 0.292 352 T C -0.540 174.201 174.700 0.067 0.000 1.064 352 T CA -0.983 61.158 62.100 0.068 0.000 1.011 352 T CB 1.394 70.269 68.868 0.011 0.000 1.152 352 T HN 0.591 nan 8.240 nan 0.000 0.510 353 N N -0.951 117.790 118.700 0.068 0.000 2.732 353 N HA 0.677 5.404 4.740 -0.022 0.000 0.259 353 N C -1.852 173.684 175.510 0.044 0.000 1.402 353 N CA -0.963 52.121 53.050 0.057 0.000 0.829 353 N CB 2.442 40.958 38.487 0.048 0.000 1.495 353 N HN 0.563 nan 8.380 nan 0.000 0.511 354 V N 1.418 121.363 119.914 0.052 0.000 2.531 354 V HA 0.450 4.557 4.120 -0.022 0.000 0.301 354 V C -0.724 175.291 176.094 -0.131 0.000 1.034 354 V CA -0.669 61.593 62.300 -0.064 0.000 0.865 354 V CB 1.358 33.174 31.823 -0.012 0.000 0.995 354 V HN 0.434 nan 8.190 nan 0.000 0.424 355 L N 4.739 125.792 121.223 -0.285 0.000 2.322 355 L HA 0.653 4.980 4.340 -0.022 0.000 0.279 355 L C -1.117 175.446 176.870 -0.511 0.000 1.036 355 L CA -0.285 54.479 54.840 -0.127 0.000 0.807 355 L CB 1.464 43.584 42.059 0.102 0.000 1.226 355 L HN 0.473 nan 8.230 nan 0.000 0.433 356 F N 3.217 123.200 119.950 0.054 0.000 2.518 356 F HA 0.620 5.134 4.527 -0.022 0.000 0.323 356 F C -0.170 175.436 175.800 -0.323 0.000 1.129 356 F CA -0.667 57.236 58.000 -0.160 0.000 0.920 356 F CB 1.580 40.535 39.000 -0.076 0.000 1.160 356 F HN 0.265 nan 8.300 nan 0.000 0.440 357 F N -1.021 118.997 119.950 0.114 0.000 2.779 357 F HA 0.853 5.366 4.527 -0.023 0.000 0.316 357 F C -1.208 174.846 175.800 0.423 0.000 1.164 357 F CA -1.088 57.062 58.000 0.249 0.000 0.924 357 F CB 1.316 40.387 39.000 0.119 0.000 1.348 357 F HN 0.202 nan 8.300 nan 0.000 0.467 358 T N 0.323 115.308 114.554 0.718 0.000 2.907 358 T HA 0.438 4.775 4.350 -0.022 0.000 0.292 358 T C -1.229 173.781 174.700 0.516 0.000 1.043 358 T CA -0.841 61.578 62.100 0.531 0.000 1.003 358 T CB 1.754 70.950 68.868 0.547 0.000 1.084 358 T HN 0.736 nan 8.240 nan 0.000 0.483 359 K N 1.757 122.384 120.400 0.378 0.000 2.338 359 K HA 0.505 4.812 4.320 -0.022 0.000 0.290 359 K C 1.023 177.764 176.600 0.235 0.000 1.069 359 K CA 1.026 57.489 56.287 0.293 0.000 0.941 359 K CB -0.587 32.047 32.500 0.223 0.000 1.023 359 K HN 0.891 nan 8.250 nan 0.000 0.477 360 G N 2.830 111.755 108.800 0.209 0.000 2.547 360 G HA2 -0.296 3.651 3.960 -0.022 0.000 0.271 360 G HA3 -0.296 3.651 3.960 -0.022 0.000 0.271 360 G C -0.339 174.661 174.900 0.167 0.000 1.209 360 G CA 0.129 45.324 45.100 0.158 0.000 0.959 360 G HN 1.114 nan 8.290 nan 0.000 0.563 361 T N -3.574 111.031 114.554 0.085 0.000 2.901 361 T HA 0.677 5.014 4.350 -0.022 0.000 0.293 361 T C 1.194 175.869 174.700 -0.042 0.000 1.084 361 T CA 0.327 62.431 62.100 0.006 0.000 1.008 361 T CB 1.787 70.627 68.868 -0.047 0.000 1.170 361 T HN 1.231 nan 8.240 nan 0.000 0.509 362 V N 1.371 121.197 119.914 -0.147 0.000 2.295 362 V HA -0.078 4.029 4.120 -0.022 0.000 0.246 362 V C 3.116 179.135 176.094 -0.124 0.000 1.049 362 V CA 2.425 64.594 62.300 -0.218 0.000 1.024 362 V CB -1.530 30.082 31.823 -0.352 0.000 0.648 362 V HN 1.081 nan 8.190 nan 0.000 0.447 363 A N -0.038 122.720 122.820 -0.103 0.000 1.877 363 A HA -0.111 4.196 4.320 -0.022 0.000 0.216 363 A C 1.207 178.769 177.584 -0.037 0.000 1.186 363 A CA 1.457 53.455 52.037 -0.064 0.000 0.620 363 A CB -0.308 18.660 19.000 -0.054 0.000 0.822 363 A HN 0.603 nan 8.150 nan 0.000 0.443 364 N N -0.583 118.101 118.700 -0.025 0.000 2.626 364 N HA 0.288 5.015 4.740 -0.022 0.000 0.249 364 N C -2.599 172.922 175.510 0.017 0.000 1.021 364 N CA -1.229 51.821 53.050 -0.000 0.000 0.886 364 N CB 1.692 40.184 38.487 0.008 0.000 1.149 364 N HN 0.004 nan 8.380 nan 0.000 0.517 365 P HA -0.004 nan 4.420 nan 0.000 0.223 365 P C 0.010 177.348 177.300 0.064 0.000 1.151 365 P CA 1.069 64.200 63.100 0.052 0.000 0.787 365 P CB 0.384 32.116 31.700 0.054 0.000 0.788 366 N N 0.241 118.970 118.700 0.048 0.000 3.025 366 N HA 0.067 4.794 4.740 -0.022 0.000 0.315 366 N C -0.205 175.331 175.510 0.044 0.000 1.511 366 N CA 0.007 53.086 53.050 0.048 0.000 1.097 366 N CB 0.447 38.958 38.487 0.039 0.000 1.395 366 N HN 0.275 nan 8.380 nan 0.000 0.511 367 Q N 0.944 120.776 119.800 0.052 0.000 2.340 367 Q HA 0.146 4.472 4.340 -0.022 0.000 0.259 367 Q C -0.032 176.002 176.000 0.056 0.000 0.964 367 Q CA -0.513 55.319 55.803 0.049 0.000 0.900 367 Q CB 1.066 29.835 28.738 0.051 0.000 1.228 367 Q HN 0.134 nan 8.270 nan 0.000 0.449 368 D N 3.238 123.665 120.400 0.045 0.000 2.117 368 D HA -0.027 4.600 4.640 -0.022 0.000 0.198 368 D C -0.219 176.110 176.300 0.048 0.000 0.982 368 D CA 1.424 55.450 54.000 0.043 0.000 0.828 368 D CB 0.497 41.316 40.800 0.032 0.000 0.967 368 D HN 0.444 nan 8.370 nan 0.000 0.464 369 K N -0.559 119.870 120.400 0.048 0.000 2.433 369 K HA 0.267 4.574 4.320 -0.022 0.000 0.252 369 K C -0.337 176.299 176.600 0.059 0.000 1.015 369 K CA -0.753 55.564 56.287 0.050 0.000 0.860 369 K CB 1.799 34.323 32.500 0.040 0.000 1.359 369 K HN -0.287 nan 8.250 nan 0.000 0.452 370 N N -0.264 118.474 118.700 0.063 0.000 2.725 370 N HA -0.199 4.528 4.740 -0.022 0.000 0.249 370 N C 0.404 175.978 175.510 0.105 0.000 1.103 370 N CA 0.561 53.655 53.050 0.074 0.000 0.707 370 N CB -2.209 36.314 38.487 0.060 0.000 1.043 370 N HN 0.584 nan 8.380 nan 0.000 0.553 371 C N -0.409 118.968 119.300 0.128 0.000 2.453 371 C HA -0.041 4.406 4.460 -0.022 0.000 0.277 371 C C 1.433 176.623 174.990 0.333 0.000 1.262 371 C CA 0.801 59.938 59.018 0.198 0.000 1.718 371 C CB -0.535 27.332 27.740 0.211 0.000 2.031 371 C HN 0.487 nan 8.230 nan 0.000 0.480 372 T N 2.569 117.265 114.554 0.237 0.000 2.782 372 T HA 0.104 4.441 4.350 -0.022 0.000 0.298 372 T C 0.848 175.649 174.700 0.168 0.000 0.944 372 T CA 0.017 62.231 62.100 0.190 0.000 1.001 372 T CB 0.381 69.282 68.868 0.054 0.000 0.932 372 T HN 0.580 nan 8.240 nan 0.000 0.524 373 D N 2.537 123.079 120.400 0.238 0.000 2.146 373 D HA -0.018 4.609 4.640 -0.022 0.000 0.209 373 D C 0.048 176.417 176.300 0.116 0.000 0.973 373 D CA 0.750 54.850 54.000 0.168 0.000 0.860 373 D CB 0.306 41.215 40.800 0.181 0.000 1.015 373 D HN 0.332 nan 8.370 nan 0.000 0.465 374 D N -0.268 120.203 120.400 0.118 0.000 2.527 374 D HA 0.489 5.116 4.640 -0.022 0.000 0.233 374 D C -0.880 175.435 176.300 0.026 0.000 1.063 374 D CA -0.612 53.402 54.000 0.024 0.000 0.880 374 D CB 3.319 44.081 40.800 -0.064 0.000 1.457 374 D HN -0.116 nan 8.370 nan 0.000 0.475 375 V N 1.283 121.187 119.914 -0.018 0.000 2.656 375 V HA 0.438 4.545 4.120 -0.022 0.000 0.307 375 V C -0.997 175.093 176.094 -0.007 0.000 1.051 375 V CA -0.842 61.508 62.300 0.083 0.000 0.893 375 V CB 2.010 33.926 31.823 0.156 0.000 0.999 375 V HN 0.464 nan 8.190 nan 0.000 0.426 376 W N 2.534 123.870 121.300 0.061 0.000 2.570 376 W HA 0.790 5.436 4.660 -0.023 0.000 0.337 376 W C -0.554 175.962 176.519 -0.005 0.000 1.067 376 W CA -0.541 56.715 57.345 -0.148 0.000 1.229 376 W CB 1.858 31.076 29.460 -0.404 0.000 1.355 376 W HN 0.323 nan 8.180 nan 0.000 0.555 377 V N 2.545 122.612 119.914 0.254 0.000 2.876 377 V HA 0.391 4.498 4.120 -0.022 0.000 0.312 377 V C -1.665 174.767 176.094 0.565 0.000 1.085 377 V CA -1.299 61.280 62.300 0.464 0.000 0.945 377 V CB 1.927 34.129 31.823 0.631 0.000 1.017 377 V HN 0.355 nan 8.190 nan 0.000 0.428 378 Y N 2.179 122.786 120.300 0.512 0.000 2.361 378 Y HA 0.581 5.117 4.550 -0.022 0.000 0.337 378 Y C -0.524 175.583 175.900 0.345 0.000 0.965 378 Y CA -0.958 57.525 58.100 0.639 0.000 1.091 378 Y CB 1.739 40.748 38.460 0.914 0.000 1.182 378 Y HN 0.731 nan 8.280 nan 0.000 0.450 379 D N 6.346 126.581 120.400 -0.275 0.000 2.500 379 D HA 0.105 4.732 4.640 -0.022 0.000 0.219 379 D C 0.303 176.349 176.300 -0.423 0.000 1.137 379 D CA 0.188 53.992 54.000 -0.326 0.000 0.946 379 D CB 0.481 41.037 40.800 -0.406 0.000 1.022 379 D HN 0.858 nan 8.370 nan 0.000 0.518 380 L N 3.126 124.222 121.223 -0.212 0.000 2.341 380 L HA 0.122 4.449 4.340 -0.022 0.000 0.214 380 L C 2.239 179.053 176.870 -0.094 0.000 1.115 380 L CA 0.219 55.018 54.840 -0.068 0.000 0.820 380 L CB 0.119 42.292 42.059 0.189 0.000 0.944 380 L HN 0.299 nan 8.230 nan 0.000 0.452 381 R N -0.204 120.239 120.500 -0.096 0.000 2.057 381 R HA -0.077 4.250 4.340 -0.022 0.000 0.229 381 R C 0.934 177.196 176.300 -0.064 0.000 1.136 381 R CA 1.392 57.447 56.100 -0.074 0.000 0.952 381 R CB -0.220 30.034 30.300 -0.077 0.000 0.848 381 R HN 0.381 nan 8.270 nan 0.000 0.430 382 T N -0.903 113.597 114.554 -0.091 0.000 2.868 382 T HA 0.015 4.352 4.350 -0.022 0.000 0.292 382 T C 0.342 175.032 174.700 -0.016 0.000 1.028 382 T CA -0.330 61.733 62.100 -0.060 0.000 1.059 382 T CB 0.905 69.723 68.868 -0.084 0.000 0.991 382 T HN 0.489 nan 8.240 nan 0.000 0.531 383 N N 1.249 119.953 118.700 0.007 0.000 2.688 383 N HA -0.144 4.583 4.740 -0.022 0.000 0.258 383 N C -0.924 174.624 175.510 0.063 0.000 1.016 383 N CA 0.422 53.497 53.050 0.042 0.000 0.747 383 N CB -0.718 37.811 38.487 0.069 0.000 0.895 383 N HN 0.615 nan 8.380 nan 0.000 0.543 384 M N 0.991 120.612 119.600 0.036 0.000 2.591 384 M HA 0.485 4.952 4.480 -0.022 0.000 0.306 384 M C -1.973 174.315 176.300 -0.021 0.000 1.190 384 M CA -1.662 53.660 55.300 0.037 0.000 0.889 384 M CB 0.982 33.613 32.600 0.051 0.000 1.728 384 M HN 0.019 nan 8.290 nan 0.000 0.458 385 P HA 0.097 nan 4.420 nan 0.000 0.265 385 P C -0.457 176.594 177.300 -0.416 0.000 1.193 385 P CA -0.054 62.897 63.100 -0.247 0.000 0.765 385 P CB 0.037 31.551 31.700 -0.309 0.000 0.823 386 S N 2.632 118.181 115.700 -0.251 0.000 2.510 386 S HA 0.293 4.750 4.470 -0.022 0.000 0.279 386 S C -0.094 174.332 174.600 -0.290 0.000 1.284 386 S CA -0.515 57.583 58.200 -0.170 0.000 1.059 386 S CB -0.344 62.813 63.200 -0.071 0.000 0.901 386 S HN 0.231 nan 8.310 nan 0.000 0.491 387 F N 1.965 121.905 119.950 -0.017 0.000 2.380 387 F HA 0.793 5.304 4.527 -0.026 0.000 0.321 387 F C 1.327 177.124 175.800 -0.004 0.000 1.103 387 F CA 0.551 58.551 58.000 -0.000 0.000 1.067 387 F CB 1.600 40.593 39.000 -0.011 0.000 1.265 387 F HN 1.063 nan 8.300 nan 0.000 0.517 388 G N 0.796 109.721 108.800 0.209 0.000 2.325 388 G HA2 0.109 4.055 3.960 -0.022 0.000 0.295 388 G HA3 0.109 4.055 3.960 -0.022 0.000 0.295 388 G C -0.224 174.733 174.900 0.095 0.000 1.274 388 G CA -0.651 44.512 45.100 0.104 0.000 0.857 388 G HN 0.549 nan 8.290 nan 0.000 0.499 389 K N 0.006 120.434 120.400 0.046 0.000 2.057 389 K HA -0.115 4.192 4.320 -0.022 0.000 0.207 389 K C 2.730 179.357 176.600 0.044 0.000 1.049 389 K CA 1.984 58.293 56.287 0.037 0.000 0.931 389 K CB -0.191 32.313 32.500 0.006 0.000 0.714 389 K HN 0.505 nan 8.250 nan 0.000 0.440 390 R N -0.507 120.012 120.500 0.032 0.000 2.075 390 R HA -0.027 4.300 4.340 -0.022 0.000 0.232 390 R C 0.100 176.425 176.300 0.041 0.000 1.126 390 R CA 1.420 57.535 56.100 0.025 0.000 0.963 390 R CB -0.574 29.731 30.300 0.007 0.000 0.858 390 R HN -0.092 nan 8.270 nan 0.000 0.435 391 T N 4.224 118.809 114.554 0.051 0.000 2.929 391 T HA 0.359 4.696 4.350 -0.022 0.000 0.331 391 T C -2.542 172.292 174.700 0.225 0.000 1.120 391 T CA -1.658 60.477 62.100 0.058 0.000 0.973 391 T CB 1.841 70.649 68.868 -0.100 0.000 1.036 391 T HN 0.176 nan 8.240 nan 0.000 0.502 392 P HA 0.324 nan 4.420 nan 0.000 0.276 392 P C -0.755 176.915 177.300 0.616 0.000 1.244 392 P CA -0.721 62.591 63.100 0.353 0.000 0.801 392 P CB 0.719 32.544 31.700 0.208 0.000 1.006 393 F N 2.167 122.280 119.950 0.272 0.000 2.405 393 F HA 0.435 4.950 4.527 -0.020 0.000 0.355 393 F C 0.236 176.143 175.800 0.178 0.000 1.121 393 F CA 0.284 58.288 58.000 0.007 0.000 1.112 393 F CB 0.724 39.369 39.000 -0.591 0.000 1.126 393 F HN 0.322 nan 8.300 nan 0.000 0.481 394 T N 1.022 115.471 114.554 -0.175 0.000 2.858 394 T HA 0.306 4.643 4.350 -0.022 0.000 0.285 394 T C 0.621 175.078 174.700 -0.405 0.000 1.052 394 T CA -0.724 61.249 62.100 -0.211 0.000 1.009 394 T CB 1.351 70.157 68.868 -0.104 0.000 1.241 394 T HN 0.520 nan 8.240 nan 0.000 0.542 395 D N 0.241 120.500 120.400 -0.234 0.000 2.144 395 D HA -0.098 4.529 4.640 -0.022 0.000 0.199 395 D C 1.616 177.813 176.300 -0.171 0.000 0.984 395 D CA 1.186 55.078 54.000 -0.180 0.000 0.834 395 D CB 0.087 40.815 40.800 -0.120 0.000 0.955 395 D HN 0.557 nan 8.370 nan 0.000 0.465 396 E N 0.350 120.423 120.200 -0.212 0.000 2.118 396 E HA -0.160 4.177 4.350 -0.022 0.000 0.195 396 E C 1.970 178.508 176.600 -0.103 0.000 0.992 396 E CA 0.836 57.125 56.400 -0.186 0.000 0.804 396 E CB -0.317 29.235 29.700 -0.246 0.000 0.741 396 E HN 0.488 nan 8.360 nan 0.000 0.458 397 H N -0.274 118.785 119.070 -0.019 0.000 2.353 397 H HA -0.068 4.476 4.556 -0.020 0.000 0.300 397 H C 2.140 177.582 175.328 0.190 0.000 1.090 397 H CA 1.159 57.315 56.048 0.180 0.000 1.327 397 H CB -0.224 29.474 29.762 -0.106 0.000 1.383 397 H HN 0.195 nan 8.280 nan 0.000 0.508 398 L N 0.699 122.007 121.223 0.141 0.000 2.217 398 L HA -0.158 4.169 4.340 -0.022 0.000 0.211 398 L C 2.586 179.538 176.870 0.138 0.000 1.107 398 L CA 0.687 55.626 54.840 0.166 0.000 0.783 398 L CB -0.350 41.776 42.059 0.113 0.000 0.919 398 L HN 0.251 nan 8.230 nan 0.000 0.442 399 Q N 0.073 119.912 119.800 0.065 0.000 2.096 399 Q HA -0.203 4.124 4.340 -0.022 0.000 0.204 399 Q C -0.440 175.551 176.000 -0.015 0.000 0.982 399 Q CA 1.612 57.413 55.803 -0.003 0.000 0.850 399 Q CB -1.039 27.674 28.738 -0.042 0.000 0.901 399 Q HN 0.442 nan 8.270 nan 0.000 0.422 400 P HA -0.172 nan 4.420 nan 0.000 0.217 400 P C 0.940 178.137 177.300 -0.172 0.000 1.150 400 P CA 0.975 64.063 63.100 -0.019 0.000 0.832 400 P CB -0.137 31.650 31.700 0.144 0.000 0.787 401 F N 2.093 121.827 119.950 -0.360 0.000 2.102 401 F HA -0.181 4.334 4.527 -0.020 0.000 0.298 401 F C 2.095 177.659 175.800 -0.394 0.000 1.105 401 F CA 1.608 59.212 58.000 -0.661 0.000 1.239 401 F CB -0.683 37.941 39.000 -0.628 0.000 0.991 401 F HN -0.039 nan 8.300 nan 0.000 0.474 402 E N 0.343 120.339 120.200 -0.340 0.000 2.110 402 E HA -0.274 4.063 4.350 -0.022 0.000 0.193 402 E C 2.426 178.820 176.600 -0.343 0.000 0.988 402 E CA 1.199 57.389 56.400 -0.349 0.000 0.804 402 E CB -0.774 28.878 29.700 -0.079 0.000 0.745 402 E HN 0.518 nan 8.360 nan 0.000 0.458 403 R N 1.527 121.837 120.500 -0.317 0.000 2.073 403 R HA -0.151 4.176 4.340 -0.022 0.000 0.234 403 R C 2.648 178.684 176.300 -0.440 0.000 1.134 403 R CA 2.065 57.988 56.100 -0.296 0.000 0.952 403 R CB -0.433 29.716 30.300 -0.253 0.000 0.850 403 R HN 0.296 nan 8.270 nan 0.000 0.433 404 V N -1.319 118.186 119.914 -0.682 0.000 2.626 404 V HA -0.196 3.911 4.120 -0.022 0.000 0.252 404 V C 2.089 177.578 176.094 -1.008 0.000 1.067 404 V CA 1.607 63.301 62.300 -1.009 0.000 1.081 404 V CB -1.218 29.592 31.823 -1.689 0.000 0.686 404 V HN 0.386 nan 8.190 nan 0.000 0.468 405 Y N 2.901 122.584 120.300 -1.028 0.000 2.128 405 Y HA 0.289 4.826 4.550 -0.021 0.000 0.284 405 Y C 1.388 177.009 175.900 -0.466 0.000 1.154 405 Y CA 1.581 59.213 58.100 -0.781 0.000 1.149 405 Y CB -0.586 37.358 38.460 -0.861 0.000 0.976 405 Y HN 0.698 nan 8.280 nan 0.000 0.505 406 G N -0.069 108.528 108.800 -0.338 0.000 2.674 406 G HA2 -0.220 3.727 3.960 -0.022 0.000 0.686 406 G HA3 -0.220 3.727 3.960 -0.022 0.000 0.686 406 G C 0.054 174.888 174.900 -0.110 0.000 1.195 406 G CA -0.073 44.851 45.100 -0.294 0.000 0.776 406 G HN 0.386 nan 8.290 nan 0.000 0.654 407 E N -0.145 120.002 120.200 -0.089 0.000 2.106 407 E HA -0.053 4.284 4.350 -0.022 0.000 0.192 407 E C 1.038 177.622 176.600 -0.027 0.000 0.984 407 E CA 0.831 57.207 56.400 -0.040 0.000 0.806 407 E CB 0.046 29.721 29.700 -0.042 0.000 0.750 407 E HN 0.582 nan 8.360 nan 0.000 0.458 408 D N 0.319 120.682 120.400 -0.062 0.000 2.487 408 D HA -0.054 4.573 4.640 -0.022 0.000 0.243 408 D C -1.528 174.776 176.300 0.005 0.000 1.154 408 D CA -1.268 52.711 54.000 -0.034 0.000 0.876 408 D CB 1.194 41.960 40.800 -0.055 0.000 1.161 408 D HN -0.014 nan 8.370 nan 0.000 0.478 409 P HA -0.170 nan 4.420 nan 0.000 0.218 409 P C 0.929 178.213 177.300 -0.026 0.000 1.149 409 P CA 1.206 64.318 63.100 0.020 0.000 0.817 409 P CB 0.101 31.751 31.700 -0.082 0.000 0.785 410 H N -0.758 118.301 119.070 -0.018 0.000 2.495 410 H HA 0.051 4.594 4.556 -0.022 0.000 0.287 410 H C 1.522 176.609 175.328 -0.401 0.000 1.033 410 H CA 1.693 57.676 56.048 -0.107 0.000 1.307 410 H CB -0.287 29.433 29.762 -0.070 0.000 1.401 410 H HN 0.239 nan 8.280 nan 0.000 0.555 411 G N 0.337 108.984 108.800 -0.255 0.000 2.141 411 G HA2 -0.231 3.716 3.960 -0.022 0.000 0.231 411 G HA3 -0.231 3.716 3.960 -0.022 0.000 0.231 411 G C 1.203 175.943 174.900 -0.267 0.000 0.984 411 G CA 0.403 45.210 45.100 -0.489 0.000 0.660 411 G HN 0.360 nan 8.290 nan 0.000 0.525 412 L N 0.851 121.993 121.223 -0.135 0.000 2.217 412 L HA 0.069 4.396 4.340 -0.022 0.000 0.211 412 L C 1.993 178.818 176.870 -0.076 0.000 1.107 412 L CA 0.852 55.656 54.840 -0.060 0.000 0.783 412 L CB -0.591 41.445 42.059 -0.039 0.000 0.919 412 L HN 0.308 nan 8.230 nan 0.000 0.442 413 S N 0.041 115.660 115.700 -0.135 0.000 2.549 413 S HA 0.038 4.494 4.470 -0.022 0.000 0.278 413 S C -1.992 172.533 174.600 -0.125 0.000 1.344 413 S CA -0.826 57.294 58.200 -0.134 0.000 1.025 413 S CB -0.067 63.022 63.200 -0.185 0.000 0.851 413 S HN 0.019 nan 8.310 nan 0.000 0.530 414 P HA 0.327 nan 4.420 nan 0.000 0.271 414 P C -0.481 176.751 177.300 -0.115 0.000 1.218 414 P CA 0.056 63.122 63.100 -0.056 0.000 0.780 414 P CB 0.480 32.158 31.700 -0.035 0.000 0.901 415 R N 0.427 120.899 120.500 -0.045 0.000 2.698 415 R HA 0.718 5.045 4.340 -0.022 0.000 0.275 415 R C -0.677 175.702 176.300 0.131 0.000 1.001 415 R CA -0.699 55.298 56.100 -0.172 0.000 0.896 415 R CB 2.251 32.125 30.300 -0.710 0.000 1.218 415 R HN 0.484 nan 8.270 nan 0.000 0.462 416 T N -1.857 112.800 114.554 0.173 0.000 2.900 416 T HA 0.407 4.744 4.350 -0.022 0.000 0.303 416 T C -0.292 174.776 174.700 0.613 0.000 1.142 416 T CA -1.097 61.248 62.100 0.408 0.000 1.007 416 T CB 2.038 71.038 68.868 0.219 0.000 1.156 416 T HN 0.443 nan 8.240 nan 0.000 0.490 417 E N 0.077 120.656 120.200 0.631 0.000 2.405 417 E HA 0.526 4.862 4.350 -0.022 0.000 0.253 417 E C 0.512 177.397 176.600 0.476 0.000 1.257 417 E CA -0.373 56.414 56.400 0.646 0.000 0.960 417 E CB 0.257 30.100 29.700 0.238 0.000 1.077 417 E HN 1.295 nan 8.360 nan 0.000 0.512 418 G N 1.574 110.643 108.800 0.448 0.000 3.035 418 G HA2 -0.101 3.846 3.960 -0.022 0.000 0.214 418 G HA3 -0.101 3.846 3.960 -0.022 0.000 0.214 418 G C -0.847 174.264 174.900 0.352 0.000 1.063 418 G CA -0.165 45.193 45.100 0.429 0.000 1.109 418 G HN 0.335 nan 8.290 nan 0.000 0.563 419 E N 0.354 120.787 120.200 0.389 0.000 2.218 419 E HA 0.711 5.048 4.350 -0.022 0.000 0.263 419 E C -0.259 176.547 176.600 0.343 0.000 0.879 419 E CA -1.282 55.244 56.400 0.210 0.000 0.762 419 E CB 0.560 30.492 29.700 0.387 0.000 1.166 419 E HN 0.796 nan 8.360 nan 0.000 0.415 420 W N 3.483 124.896 121.300 0.188 0.000 1.950 420 W HA 0.677 5.323 4.660 -0.023 0.000 0.289 420 W C -0.871 175.749 176.519 0.168 0.000 0.883 420 W CA -0.765 56.675 57.345 0.159 0.000 2.031 420 W CB 0.041 29.555 29.460 0.091 0.000 2.266 420 W HN 0.165 nan 8.180 nan 0.000 0.400 421 S N 0.707 116.556 115.700 0.248 0.000 2.730 421 S HA 0.573 5.029 4.470 -0.022 0.000 0.284 421 S C -0.114 174.691 174.600 0.341 0.000 1.153 421 S CA -0.518 57.778 58.200 0.160 0.000 0.995 421 S CB 0.355 63.651 63.200 0.160 0.000 1.058 421 S HN 0.424 nan 8.310 nan 0.000 0.552 422 F N 1.310 121.366 119.950 0.176 0.000 3.027 422 F HA -0.209 4.305 4.527 -0.020 0.000 0.276 422 F C 0.529 176.422 175.800 0.154 0.000 0.967 422 F CA 0.163 58.265 58.000 0.169 0.000 0.929 422 F CB -2.151 36.965 39.000 0.193 0.000 0.873 422 F HN 0.640 nan 8.300 nan 0.000 0.787 423 N N -2.157 116.678 118.700 0.224 0.000 2.738 423 N HA -0.243 4.484 4.740 -0.022 0.000 0.249 423 N C 1.183 176.827 175.510 0.224 0.000 1.047 423 N CA 0.800 53.971 53.050 0.202 0.000 0.707 423 N CB -0.979 37.603 38.487 0.159 0.000 0.937 423 N HN 0.699 nan 8.380 nan 0.000 0.545 424 A N 0.129 123.119 122.820 0.284 0.000 1.902 424 A HA -0.158 4.148 4.320 -0.022 0.000 0.217 424 A C 2.024 179.731 177.584 0.205 0.000 1.181 424 A CA 1.810 54.010 52.037 0.272 0.000 0.623 424 A CB -0.144 19.069 19.000 0.355 0.000 0.818 424 A HN 0.483 nan 8.150 nan 0.000 0.443 425 E N 0.240 120.552 120.200 0.187 0.000 2.077 425 E HA -0.178 4.159 4.350 -0.022 0.000 0.193 425 E C 1.903 178.556 176.600 0.088 0.000 0.989 425 E CA 1.554 58.012 56.400 0.096 0.000 0.800 425 E CB -0.235 29.487 29.700 0.037 0.000 0.746 425 E HN 0.752 nan 8.360 nan 0.000 0.452 426 E N 0.366 120.625 120.200 0.100 0.000 2.204 426 E HA -0.050 4.287 4.350 -0.022 0.000 0.194 426 E C 0.297 176.945 176.600 0.081 0.000 0.989 426 E CA 0.696 57.144 56.400 0.081 0.000 0.824 426 E CB -0.098 29.651 29.700 0.081 0.000 0.756 426 E HN 0.154 nan 8.360 nan 0.000 0.477 427 T N 1.511 116.125 114.554 0.100 0.000 2.906 427 T HA -0.005 4.331 4.350 -0.022 0.000 0.320 427 T C 0.203 174.951 174.700 0.080 0.000 1.088 427 T CA 0.118 62.272 62.100 0.090 0.000 1.120 427 T CB 0.715 69.645 68.868 0.102 0.000 1.000 427 T HN -0.014 nan 8.240 nan 0.000 0.550 428 E N 1.173 121.412 120.200 0.065 0.000 2.313 428 E HA 0.375 4.712 4.350 -0.022 0.000 0.276 428 E C -0.754 175.891 176.600 0.076 0.000 1.031 428 E CA -0.267 56.170 56.400 0.062 0.000 0.857 428 E CB 0.702 30.430 29.700 0.046 0.000 1.040 428 E HN 0.314 nan 8.360 nan 0.000 0.408 429 V N 2.823 122.787 119.914 0.085 0.000 2.539 429 V HA 0.685 4.792 4.120 -0.022 0.000 0.292 429 V C 0.264 176.413 176.094 0.092 0.000 1.045 429 V CA -0.510 61.856 62.300 0.109 0.000 0.945 429 V CB 1.355 33.247 31.823 0.115 0.000 0.993 429 V HN 0.823 nan 8.190 nan 0.000 0.464 430 A N 2.456 125.340 122.820 0.107 0.000 2.313 430 A HA 0.711 5.018 4.320 -0.022 0.000 0.323 430 A C -0.785 176.860 177.584 0.101 0.000 1.133 430 A CA -0.522 51.567 52.037 0.087 0.000 0.847 430 A CB 1.263 20.306 19.000 0.072 0.000 1.308 430 A HN 0.762 nan 8.150 nan 0.000 0.475 431 D N 0.096 120.545 120.400 0.082 0.000 2.349 431 D HA 0.575 5.202 4.640 -0.022 0.000 0.232 431 D C -0.110 176.243 176.300 0.089 0.000 1.071 431 D CA 0.616 54.666 54.000 0.083 0.000 0.832 431 D CB 0.755 41.593 40.800 0.062 0.000 1.086 431 D HN 0.786 nan 8.370 nan 0.000 0.504 432 S N 2.286 118.054 115.700 0.115 0.000 2.694 432 S HA 0.244 4.701 4.470 -0.022 0.000 0.273 432 S C 0.643 175.342 174.600 0.164 0.000 1.180 432 S CA -0.675 57.599 58.200 0.125 0.000 0.864 432 S CB 0.764 64.044 63.200 0.134 0.000 1.198 432 S HN 0.134 nan 8.310 nan 0.000 0.499 433 E N 1.503 121.821 120.200 0.196 0.000 2.077 433 E HA -0.101 4.236 4.350 -0.022 0.000 0.193 433 E C 2.028 178.871 176.600 0.405 0.000 0.989 433 E CA 1.929 58.499 56.400 0.282 0.000 0.800 433 E CB -0.216 29.654 29.700 0.284 0.000 0.746 433 E HN 0.672 nan 8.360 nan 0.000 0.452 434 E N 0.367 120.845 120.200 0.463 0.000 2.077 434 E HA -0.165 4.172 4.350 -0.022 0.000 0.193 434 E C 0.660 177.388 176.600 0.212 0.000 0.989 434 E CA 0.925 57.587 56.400 0.437 0.000 0.800 434 E CB -0.399 29.616 29.700 0.525 0.000 0.746 434 E HN 0.180 nan 8.360 nan 0.000 0.452 435 N N 1.535 120.357 118.700 0.203 0.000 2.389 435 N HA 0.056 4.783 4.740 -0.022 0.000 0.237 435 N C -0.372 175.189 175.510 0.085 0.000 1.148 435 N CA 0.089 53.205 53.050 0.110 0.000 0.854 435 N CB 0.469 39.037 38.487 0.135 0.000 1.115 435 N HN 0.201 nan 8.380 nan 0.000 0.492 436 K N 1.006 121.468 120.400 0.103 0.000 2.218 436 K HA 0.114 4.421 4.320 -0.022 0.000 0.276 436 K C 0.236 176.862 176.600 0.043 0.000 1.022 436 K CA -0.252 56.088 56.287 0.089 0.000 0.946 436 K CB 0.481 33.057 32.500 0.128 0.000 1.000 436 K HN 0.076 nan 8.250 nan 0.000 0.468 437 N N 1.830 120.551 118.700 0.036 0.000 2.721 437 N HA -0.157 4.570 4.740 -0.022 0.000 0.249 437 N C -1.268 174.234 175.510 -0.013 0.000 1.072 437 N CA 1.243 54.301 53.050 0.014 0.000 0.710 437 N CB -1.133 37.361 38.487 0.011 0.000 0.993 437 N HN 0.589 nan 8.380 nan 0.000 0.547 438 T N 0.689 115.237 114.554 -0.009 0.000 2.856 438 T HA 0.258 4.595 4.350 -0.022 0.000 0.283 438 T C 0.257 174.951 174.700 -0.010 0.000 1.008 438 T CA -0.905 61.173 62.100 -0.037 0.000 0.997 438 T CB 2.138 70.971 68.868 -0.057 0.000 0.992 438 T HN 0.149 nan 8.240 nan 0.000 0.454 439 D N 2.045 122.438 120.400 -0.012 0.000 2.377 439 D HA 0.039 4.666 4.640 -0.022 0.000 0.245 439 D C 0.900 177.217 176.300 0.028 0.000 1.196 439 D CA -0.538 53.470 54.000 0.013 0.000 0.962 439 D CB 0.953 41.764 40.800 0.020 0.000 1.127 439 D HN 0.234 nan 8.370 nan 0.000 0.471 440 Q N -0.130 119.696 119.800 0.042 0.000 2.050 440 Q HA -0.226 4.101 4.340 -0.022 0.000 0.202 440 Q C 1.904 177.947 176.000 0.072 0.000 0.980 440 Q CA 1.673 57.507 55.803 0.052 0.000 0.840 440 Q CB -0.603 28.162 28.738 0.045 0.000 0.898 440 Q HN 0.700 nan 8.270 nan 0.000 0.424 441 H N -0.089 118.968 119.070 -0.020 0.000 2.357 441 H HA -0.098 4.445 4.556 -0.021 0.000 0.301 441 H C 1.837 177.174 175.328 0.016 0.000 1.082 441 H CA 1.595 57.625 56.048 -0.030 0.000 1.342 441 H CB -0.199 29.524 29.762 -0.064 0.000 1.389 441 H HN 0.179 nan 8.280 nan 0.000 0.511 442 L N 0.213 121.452 121.223 0.027 0.000 2.093 442 L HA -0.003 4.324 4.340 -0.022 0.000 0.208 442 L C 2.424 179.247 176.870 -0.078 0.000 1.085 442 L CA 1.756 56.572 54.840 -0.041 0.000 0.755 442 L CB -1.109 40.918 42.059 -0.054 0.000 0.904 442 L HN 0.367 nan 8.230 nan 0.000 0.435 443 A N -1.131 121.670 122.820 -0.032 0.000 1.940 443 A HA -0.253 4.054 4.320 -0.022 0.000 0.219 443 A C 2.354 180.012 177.584 0.122 0.000 1.176 443 A CA 2.368 54.416 52.037 0.019 0.000 0.631 443 A CB -1.334 17.706 19.000 0.066 0.000 0.814 443 A HN 0.616 nan 8.150 nan 0.000 0.446 444 T N -2.478 112.125 114.554 0.080 0.000 2.915 444 T HA 0.008 4.345 4.350 -0.022 0.000 0.269 444 T C 1.215 176.046 174.700 0.219 0.000 1.071 444 T CA 0.943 63.124 62.100 0.133 0.000 1.132 444 T CB -0.680 68.216 68.868 0.046 0.000 0.878 444 T HN 0.363 nan 8.240 nan 0.000 0.479 445 S N 0.693 116.492 115.700 0.164 0.000 2.549 445 S HA 0.140 4.597 4.470 -0.022 0.000 0.286 445 S C 1.382 176.281 174.600 0.498 0.000 1.314 445 S CA -0.603 57.770 58.200 0.289 0.000 1.062 445 S CB 0.476 63.812 63.200 0.226 0.000 0.865 445 S HN 0.482 nan 8.310 nan 0.000 0.498 446 R N 2.890 123.693 120.500 0.506 0.000 2.115 446 R HA 0.021 4.347 4.340 -0.022 0.000 0.226 446 R C 0.529 177.249 176.300 0.701 0.000 1.100 446 R CA 0.610 57.000 56.100 0.483 0.000 0.980 446 R CB 0.122 30.468 30.300 0.076 0.000 0.875 446 R HN 0.752 nan 8.270 nan 0.000 0.445 447 W N 2.230 123.817 121.300 0.480 0.000 2.316 447 W HA 0.333 4.979 4.660 -0.023 0.000 0.308 447 W C -0.899 175.833 176.519 0.355 0.000 1.106 447 W CA -0.380 57.293 57.345 0.547 0.000 1.262 447 W CB 0.583 30.334 29.460 0.485 0.000 1.233 447 W HN -0.017 nan 8.180 nan 0.000 0.447 448 R N 3.773 124.221 120.500 -0.087 0.000 2.764 448 R HA 0.395 4.722 4.340 -0.022 0.000 0.270 448 R C -0.989 174.855 176.300 -0.758 0.000 1.014 448 R CA -0.985 54.787 56.100 -0.546 0.000 0.904 448 R CB 2.901 32.509 30.300 -1.153 0.000 1.236 448 R HN 0.420 nan 8.270 nan 0.000 0.466 449 K N 0.597 120.239 120.400 -1.263 0.000 2.340 449 K HA 0.647 4.954 4.320 -0.022 0.000 0.244 449 K C -1.290 174.379 176.600 -1.551 0.000 0.973 449 K CA -0.688 54.771 56.287 -1.379 0.000 0.828 449 K CB 1.692 33.020 32.500 -1.953 0.000 1.226 449 K HN 0.235 nan 8.250 nan 0.000 0.437 450 F N 0.210 119.831 119.950 -0.549 0.000 2.588 450 F HA 0.325 4.840 4.527 -0.021 0.000 0.310 450 F C 0.005 175.672 175.800 -0.221 0.000 1.082 450 F CA -0.801 56.932 58.000 -0.445 0.000 0.929 450 F CB 2.464 41.279 39.000 -0.308 0.000 1.254 450 F HN 0.740 nan 8.300 nan 0.000 0.455 451 S N 1.165 116.898 115.700 0.054 0.000 2.632 451 S HA 0.400 4.857 4.470 -0.022 0.000 0.271 451 S C 1.086 175.826 174.600 0.234 0.000 1.260 451 S CA -0.717 57.544 58.200 0.100 0.000 1.010 451 S CB 1.692 64.943 63.200 0.085 0.000 0.965 451 S HN 0.846 nan 8.310 nan 0.000 0.534 452 R N 0.269 120.860 120.500 0.151 0.000 2.075 452 R HA -0.085 4.242 4.340 -0.022 0.000 0.232 452 R C 1.977 178.359 176.300 0.137 0.000 1.126 452 R CA 1.215 57.398 56.100 0.137 0.000 0.963 452 R CB -0.296 30.061 30.300 0.096 0.000 0.858 452 R HN 0.803 nan 8.270 nan 0.000 0.435 453 E N -0.106 120.175 120.200 0.134 0.000 2.110 453 E HA -0.215 4.122 4.350 -0.022 0.000 0.193 453 E C 1.512 178.195 176.600 0.139 0.000 0.988 453 E CA 1.129 57.594 56.400 0.108 0.000 0.804 453 E CB -0.333 29.425 29.700 0.097 0.000 0.745 453 E HN 0.453 nan 8.360 nan 0.000 0.458 454 W N 1.204 122.521 121.300 0.027 0.000 2.355 454 W HA -0.133 4.514 4.660 -0.023 0.000 0.309 454 W C 2.045 178.583 176.519 0.032 0.000 1.206 454 W CA 1.667 59.035 57.345 0.039 0.000 1.284 454 W CB -0.449 29.055 29.460 0.075 0.000 1.145 454 W HN -0.025 nan 8.180 nan 0.000 0.502 455 I N 0.359 121.036 120.570 0.179 0.000 2.226 455 I HA -0.315 3.842 4.170 -0.022 0.000 0.245 455 I C 2.762 178.762 176.117 -0.195 0.000 1.100 455 I CA 1.722 62.960 61.300 -0.103 0.000 1.374 455 I CB -0.763 37.292 38.000 0.093 0.000 1.057 455 I HN 0.001 nan 8.210 nan 0.000 0.413 456 R N 0.463 120.917 120.500 -0.077 0.000 2.070 456 R HA -0.157 4.170 4.340 -0.022 0.000 0.233 456 R C 2.321 178.542 176.300 -0.133 0.000 1.137 456 R CA 2.291 58.342 56.100 -0.082 0.000 0.945 456 R CB -0.289 29.994 30.300 -0.028 0.000 0.845 456 R HN 0.278 nan 8.270 nan 0.000 0.430 457 T N 0.449 114.919 114.554 -0.140 0.000 2.643 457 T HA -0.048 4.289 4.350 -0.022 0.000 0.256 457 T C 1.813 176.363 174.700 -0.250 0.000 1.061 457 T CA 1.354 63.364 62.100 -0.150 0.000 1.163 457 T CB -0.426 68.386 68.868 -0.094 0.000 0.865 457 T HN 0.444 nan 8.240 nan 0.000 0.407 458 A N 1.643 124.188 122.820 -0.459 0.000 1.855 458 A HA -0.055 4.252 4.320 -0.022 0.000 0.215 458 A C 2.276 179.562 177.584 -0.497 0.000 1.191 458 A CA 1.206 52.924 52.037 -0.532 0.000 0.613 458 A CB -0.332 18.120 19.000 -0.912 0.000 0.829 458 A HN 0.172 nan 8.150 nan 0.000 0.442 459 K N -0.024 119.977 120.400 -0.664 0.000 2.288 459 K HA 0.036 4.342 4.320 -0.022 0.000 0.201 459 K C 0.362 176.811 176.600 -0.252 0.000 1.048 459 K CA 0.884 56.906 56.287 -0.443 0.000 0.956 459 K CB -0.301 31.933 32.500 -0.444 0.000 0.746 459 K HN 0.429 nan 8.250 nan 0.000 0.461 460 S N 2.014 117.578 115.700 -0.227 0.000 3.783 460 S HA -0.119 4.338 4.470 -0.022 0.000 0.360 460 S C -0.771 173.761 174.600 -0.115 0.000 1.006 460 S CA 0.725 58.841 58.200 -0.141 0.000 1.115 460 S CB -1.360 61.773 63.200 -0.111 0.000 0.893 460 S HN 0.427 nan 8.310 nan 0.000 0.475 461 D N -0.412 119.918 120.400 -0.117 0.000 2.699 461 D HA -0.143 4.484 4.640 -0.022 0.000 0.239 461 D C -0.071 176.182 176.300 -0.079 0.000 1.136 461 D CA 1.604 55.553 54.000 -0.084 0.000 0.668 461 D CB -1.298 39.460 40.800 -0.071 0.000 1.060 461 D HN 0.630 nan 8.370 nan 0.000 0.429 462 S N -0.333 115.313 115.700 -0.090 0.000 2.478 462 S HA 0.504 4.961 4.470 -0.022 0.000 0.312 462 S C 1.257 175.834 174.600 -0.038 0.000 1.094 462 S CA -0.848 57.320 58.200 -0.053 0.000 1.081 462 S CB 1.114 64.293 63.200 -0.035 0.000 1.007 462 S HN 0.232 nan 8.310 nan 0.000 0.475 463 L N 2.362 123.577 121.223 -0.014 0.000 2.291 463 L HA 0.073 4.399 4.340 -0.022 0.000 0.214 463 L C 0.797 177.682 176.870 0.025 0.000 1.120 463 L CA 0.506 55.351 54.840 0.008 0.000 0.799 463 L CB -0.286 41.774 42.059 0.001 0.000 0.925 463 L HN 0.619 nan 8.230 nan 0.000 0.446 464 D N 1.476 121.904 120.400 0.047 0.000 2.422 464 D HA 0.116 4.743 4.640 -0.022 0.000 0.263 464 D C -0.191 176.112 176.300 0.004 0.000 1.334 464 D CA 0.378 54.410 54.000 0.052 0.000 1.105 464 D CB -0.213 40.647 40.800 0.100 0.000 1.107 464 D HN 0.086 nan 8.370 nan 0.000 0.522 465 I N 1.962 122.525 120.570 -0.012 0.000 2.377 465 I HA 0.303 4.460 4.170 -0.022 0.000 0.293 465 I C -0.112 175.969 176.117 -0.060 0.000 0.987 465 I CA -0.489 60.798 61.300 -0.021 0.000 1.185 465 I CB 1.608 39.522 38.000 -0.143 0.000 1.341 465 I HN 0.088 nan 8.210 nan 0.000 0.455 466 S N 4.261 119.959 115.700 -0.004 0.000 2.626 466 S HA 0.159 4.615 4.470 -0.022 0.000 0.275 466 S C -0.216 174.413 174.600 0.048 0.000 1.175 466 S CA -0.866 57.224 58.200 -0.183 0.000 0.982 466 S CB 0.829 63.925 63.200 -0.174 0.000 1.093 466 S HN 0.803 nan 8.310 nan 0.000 0.472 467 W N 2.441 123.789 121.300 0.080 0.000 2.812 467 W HA 0.551 5.199 4.660 -0.019 0.000 0.263 467 W C -0.108 176.453 176.519 0.069 0.000 1.284 467 W CA -0.341 57.061 57.345 0.095 0.000 1.430 467 W CB -0.077 29.461 29.460 0.131 0.000 1.088 467 W HN 0.309 nan 8.180 nan 0.000 0.623 468 L N 1.383 122.552 121.223 -0.090 0.000 2.304 468 L HA 0.561 4.888 4.340 -0.022 0.000 0.268 468 L C 0.119 176.977 176.870 -0.020 0.000 1.010 468 L CA -1.268 53.565 54.840 -0.011 0.000 0.813 468 L CB 1.756 43.778 42.059 -0.063 0.000 1.315 468 L HN -0.295 nan 8.230 nan 0.000 0.445 469 K N 0.257 120.666 120.400 0.014 0.000 2.208 469 K HA 0.310 4.617 4.320 -0.022 0.000 0.247 469 K C -1.318 175.284 176.600 0.003 0.000 0.953 469 K CA -0.796 55.495 56.287 0.006 0.000 0.837 469 K CB 1.744 34.257 32.500 0.021 0.000 1.131 469 K HN 0.416 nan 8.250 nan 0.000 0.431 470 D N 2.224 122.620 120.400 -0.005 0.000 2.280 470 D HA 0.246 4.873 4.640 -0.022 0.000 0.236 470 D C -0.576 175.727 176.300 0.006 0.000 1.082 470 D CA 0.080 54.079 54.000 -0.001 0.000 0.834 470 D CB 0.905 41.698 40.800 -0.012 0.000 1.100 470 D HN 0.265 nan 8.370 nan 0.000 0.486 471 K N 1.955 122.364 120.400 0.015 0.000 1.928 471 K HA 0.410 4.717 4.320 -0.022 0.000 0.251 471 K C -1.765 174.847 176.600 0.020 0.000 0.713 471 K CA -0.371 55.925 56.287 0.016 0.000 0.547 471 K CB 1.044 33.556 32.500 0.020 0.000 1.755 471 K HN 0.351 nan 8.250 nan 0.000 0.536 472 D N 0.164 120.576 120.400 0.021 0.000 2.198 472 D HA 0.189 4.816 4.640 -0.022 0.000 0.147 472 D C -1.779 174.534 176.300 0.021 0.000 1.149 472 D CA -0.031 53.983 54.000 0.024 0.000 1.107 472 D CB 0.798 41.610 40.800 0.020 0.000 2.198 472 D HN 0.422 nan 8.370 nan 0.000 0.584 473 S N 1.369 117.084 115.700 0.025 0.000 2.607 473 S HA 0.826 5.283 4.470 -0.022 0.000 0.273 473 S C -1.865 172.749 174.600 0.023 0.000 1.148 473 S CA -0.625 57.588 58.200 0.022 0.000 0.833 473 S CB 1.644 64.856 63.200 0.022 0.000 1.130 473 S HN 0.295 nan 8.310 nan 0.000 0.470 474 I N 2.662 123.244 120.570 0.020 0.000 2.498 474 I HA 0.703 4.859 4.170 -0.022 0.000 0.290 474 I C -1.426 174.703 176.117 0.019 0.000 1.032 474 I CA -0.172 61.140 61.300 0.020 0.000 1.073 474 I CB 1.767 39.778 38.000 0.018 0.000 1.251 474 I HN 0.680 nan 8.210 nan 0.000 0.426 475 D N 5.538 125.950 120.400 0.020 0.000 2.736 475 D HA 0.552 5.178 4.640 -0.022 0.000 0.223 475 D C -1.063 175.248 176.300 0.018 0.000 1.231 475 D CA -0.403 53.608 54.000 0.019 0.000 0.818 475 D CB 2.651 43.464 40.800 0.021 0.000 1.587 475 D HN 0.708 nan 8.370 nan 0.000 0.463 476 A N 1.767 124.596 122.820 0.015 0.000 2.483 476 A HA 0.298 4.605 4.320 -0.022 0.000 0.238 476 A C -0.085 177.507 177.584 0.014 0.000 1.070 476 A CA 0.057 52.102 52.037 0.013 0.000 0.770 476 A CB 0.176 19.182 19.000 0.011 0.000 1.008 476 A HN 0.474 nan 8.150 nan 0.000 0.497 477 D N 1.035 121.441 120.400 0.010 0.000 2.514 477 D HA 0.384 5.011 4.640 -0.022 0.000 0.267 477 D C -0.978 175.324 176.300 0.002 0.000 1.165 477 D CA -0.289 53.716 54.000 0.009 0.000 0.958 477 D CB 0.223 41.029 40.800 0.009 0.000 0.992 477 D HN 0.045 nan 8.370 nan 0.000 0.506 478 S N 1.725 117.428 115.700 0.004 0.000 2.733 478 S HA 0.627 5.084 4.470 -0.022 0.000 0.307 478 S C -0.745 173.853 174.600 -0.003 0.000 1.127 478 S CA -0.611 57.586 58.200 -0.005 0.000 1.097 478 S CB 0.605 63.803 63.200 -0.003 0.000 1.003 478 S HN 0.295 nan 8.310 nan 0.000 0.477 479 L N 3.237 124.450 121.223 -0.017 0.000 2.469 479 L HA 0.651 4.978 4.340 -0.022 0.000 0.256 479 L C -2.560 174.271 176.870 -0.064 0.000 1.006 479 L CA -1.688 53.142 54.840 -0.018 0.000 0.832 479 L CB 0.721 42.784 42.059 0.007 0.000 1.421 479 L HN 0.309 nan 8.230 nan 0.000 0.410 480 P HA 0.294 nan 4.420 nan 0.000 0.276 480 P C 0.151 177.382 177.300 -0.115 0.000 1.244 480 P CA -0.477 62.497 63.100 -0.210 0.000 0.801 480 P CB 0.847 32.243 31.700 -0.508 0.000 1.006 481 E N 1.498 121.629 120.200 -0.116 0.000 2.072 481 E HA -0.109 4.228 4.350 -0.022 0.000 0.191 481 E C -0.898 175.689 176.600 -0.022 0.000 0.985 481 E CA 1.848 58.214 56.400 -0.057 0.000 0.801 481 E CB -1.868 27.799 29.700 -0.054 0.000 0.750 481 E HN 0.434 nan 8.360 nan 0.000 0.452 482 P HA -0.091 nan 4.420 nan 0.000 0.221 482 P C 1.083 178.431 177.300 0.080 0.000 1.150 482 P CA 1.163 64.292 63.100 0.047 0.000 0.800 482 P CB 0.027 31.785 31.700 0.097 0.000 0.787 483 D N -0.302 120.149 120.400 0.084 0.000 2.097 483 D HA -0.132 4.495 4.640 -0.022 0.000 0.197 483 D C 1.842 178.184 176.300 0.069 0.000 0.984 483 D CA 1.392 55.459 54.000 0.112 0.000 0.826 483 D CB -0.591 40.281 40.800 0.121 0.000 0.973 483 D HN 0.012 nan 8.370 nan 0.000 0.460 484 V N -0.420 119.520 119.914 0.042 0.000 2.515 484 V HA -0.155 3.952 4.120 -0.022 0.000 0.250 484 V C 2.581 178.700 176.094 0.042 0.000 1.058 484 V CA 1.157 63.480 62.300 0.038 0.000 1.064 484 V CB -0.885 30.953 31.823 0.025 0.000 0.675 484 V HN 0.200 nan 8.190 nan 0.000 0.461 485 L N 1.124 122.370 121.223 0.038 0.000 2.012 485 L HA 0.060 4.386 4.340 -0.022 0.000 0.210 485 L C 1.781 178.677 176.870 0.043 0.000 1.073 485 L CA 1.464 56.325 54.840 0.035 0.000 0.748 485 L CB -0.764 41.314 42.059 0.031 0.000 0.891 485 L HN 0.485 nan 8.230 nan 0.000 0.431 486 A N -0.590 122.261 122.820 0.053 0.000 2.269 486 A HA 0.569 4.876 4.320 -0.022 0.000 0.302 486 A C 1.040 178.659 177.584 0.057 0.000 1.266 486 A CA 0.213 52.283 52.037 0.055 0.000 0.894 486 A CB 1.015 20.049 19.000 0.057 0.000 1.147 486 A HN 0.264 nan 8.150 nan 0.000 0.537 487 A N 2.354 125.210 122.820 0.060 0.000 1.898 487 A HA -0.103 4.203 4.320 -0.022 0.000 0.216 487 A C 1.932 179.549 177.584 0.055 0.000 1.181 487 A CA 1.619 53.693 52.037 0.062 0.000 0.620 487 A CB -0.341 18.703 19.000 0.072 0.000 0.819 487 A HN 0.867 nan 8.150 nan 0.000 0.442 488 E N 0.671 120.903 120.200 0.053 0.000 2.106 488 E HA -0.107 4.230 4.350 -0.022 0.000 0.192 488 E C 1.970 178.595 176.600 0.042 0.000 0.984 488 E CA 1.332 57.758 56.400 0.045 0.000 0.806 488 E CB -0.901 28.824 29.700 0.042 0.000 0.750 488 E HN 0.481 nan 8.360 nan 0.000 0.458 489 A N 1.667 124.515 122.820 0.047 0.000 1.972 489 A HA -0.103 4.204 4.320 -0.022 0.000 0.219 489 A C 2.418 180.033 177.584 0.051 0.000 1.169 489 A CA 1.770 53.836 52.037 0.048 0.000 0.635 489 A CB -0.647 18.389 19.000 0.061 0.000 0.810 489 A HN 0.245 nan 8.150 nan 0.000 0.446 490 M N -0.624 119.008 119.600 0.054 0.000 2.108 490 M HA -0.152 4.315 4.480 -0.022 0.000 0.261 490 M C 2.309 178.636 176.300 0.045 0.000 1.066 490 M CA 1.533 56.865 55.300 0.054 0.000 1.107 490 M CB -0.714 31.915 32.600 0.050 0.000 1.356 490 M HN 0.510 nan 8.290 nan 0.000 0.406 491 G N -0.247 108.575 108.800 0.037 0.000 2.418 491 G HA2 -0.224 3.723 3.960 -0.022 0.000 0.217 491 G HA3 -0.224 3.723 3.960 -0.022 0.000 0.217 491 G C 1.519 176.435 174.900 0.027 0.000 1.158 491 G CA 0.714 45.832 45.100 0.030 0.000 0.771 491 G HN 0.352 nan 8.290 nan 0.000 0.545 492 E N 0.238 120.452 120.200 0.025 0.000 2.047 492 E HA -0.050 4.286 4.350 -0.022 0.000 0.191 492 E C 2.678 179.290 176.600 0.020 0.000 0.987 492 E CA 0.433 56.843 56.400 0.016 0.000 0.799 492 E CB -0.240 29.465 29.700 0.007 0.000 0.752 492 E HN 0.242 nan 8.360 nan 0.000 0.449 493 L N 0.589 121.835 121.223 0.039 0.000 2.083 493 L HA -0.137 4.190 4.340 -0.022 0.000 0.209 493 L C 2.654 179.559 176.870 0.058 0.000 1.083 493 L CA 0.915 55.792 54.840 0.061 0.000 0.752 493 L CB -1.386 40.744 42.059 0.119 0.000 0.899 493 L HN 0.047 nan 8.230 nan 0.000 0.433 494 V N -0.264 119.679 119.914 0.049 0.000 2.407 494 V HA -0.269 3.838 4.120 -0.022 0.000 0.248 494 V C 2.674 178.787 176.094 0.032 0.000 1.055 494 V CA 1.426 63.751 62.300 0.041 0.000 1.049 494 V CB -0.591 31.253 31.823 0.035 0.000 0.662 494 V HN 0.511 nan 8.190 nan 0.000 0.455 495 Q N 0.359 120.175 119.800 0.025 0.000 2.135 495 Q HA -0.220 4.107 4.340 -0.022 0.000 0.204 495 Q C 2.290 178.300 176.000 0.018 0.000 0.981 495 Q CA 2.171 57.985 55.803 0.018 0.000 0.856 495 Q CB -0.300 28.445 28.738 0.011 0.000 0.902 495 Q HN 0.619 nan 8.270 nan 0.000 0.425 496 A N 0.468 123.300 122.820 0.021 0.000 1.933 496 A HA -0.166 4.140 4.320 -0.022 0.000 0.218 496 A C 2.088 179.689 177.584 0.028 0.000 1.175 496 A CA 1.260 53.309 52.037 0.020 0.000 0.628 496 A CB -0.524 18.490 19.000 0.023 0.000 0.814 496 A HN 0.371 nan 8.150 nan 0.000 0.444 497 L N 0.039 121.284 121.223 0.036 0.000 2.083 497 L HA -0.135 4.192 4.340 -0.022 0.000 0.209 497 L C 2.759 179.644 176.870 0.025 0.000 1.083 497 L CA 2.020 56.881 54.840 0.035 0.000 0.752 497 L CB -0.846 41.236 42.059 0.037 0.000 0.899 497 L HN 0.285 nan 8.230 nan 0.000 0.433 498 S N -0.869 114.843 115.700 0.021 0.000 2.359 498 S HA -0.223 4.233 4.470 -0.022 0.000 0.224 498 S C 1.990 176.599 174.600 0.014 0.000 1.035 498 S CA 1.318 59.528 58.200 0.016 0.000 1.018 498 S CB -0.264 62.945 63.200 0.014 0.000 0.876 498 S HN 0.446 nan 8.310 nan 0.000 0.448 499 E N 1.069 121.277 120.200 0.014 0.000 2.106 499 E HA -0.099 4.238 4.350 -0.022 0.000 0.192 499 E C 2.060 178.668 176.600 0.013 0.000 0.984 499 E CA 0.635 57.042 56.400 0.012 0.000 0.806 499 E CB -0.321 29.384 29.700 0.010 0.000 0.750 499 E HN 0.382 nan 8.360 nan 0.000 0.458 500 L N 1.668 122.901 121.223 0.017 0.000 2.079 500 L HA -0.179 4.148 4.340 -0.022 0.000 0.210 500 L C 1.598 178.478 176.870 0.016 0.000 1.081 500 L CA 1.954 56.805 54.840 0.019 0.000 0.752 500 L CB -0.516 41.559 42.059 0.025 0.000 0.896 500 L HN -0.045 nan 8.230 nan 0.000 0.433 501 D N -0.087 120.322 120.400 0.015 0.000 2.117 501 D HA -0.167 4.460 4.640 -0.022 0.000 0.197 501 D C 2.225 178.531 176.300 0.010 0.000 0.987 501 D CA 1.525 55.533 54.000 0.013 0.000 0.829 501 D CB -0.247 40.560 40.800 0.012 0.000 0.961 501 D HN 0.508 nan 8.370 nan 0.000 0.460 502 A N 0.669 123.495 122.820 0.010 0.000 1.902 502 A HA -0.143 4.164 4.320 -0.022 0.000 0.217 502 A C 2.159 179.748 177.584 0.008 0.000 1.181 502 A CA 1.042 53.084 52.037 0.008 0.000 0.623 502 A CB -0.726 18.278 19.000 0.007 0.000 0.818 502 A HN 0.252 nan 8.150 nan 0.000 0.443 503 L N -0.556 120.672 121.223 0.009 0.000 2.083 503 L HA -0.108 4.219 4.340 -0.022 0.000 0.209 503 L C 2.459 179.334 176.870 0.008 0.000 1.083 503 L CA 1.990 56.835 54.840 0.008 0.000 0.752 503 L CB -0.465 41.599 42.059 0.009 0.000 0.899 503 L HN 0.441 nan 8.230 nan 0.000 0.433 504 M N -1.189 118.417 119.600 0.009 0.000 2.159 504 M HA -0.208 4.258 4.480 -0.022 0.000 0.263 504 M C 2.357 178.661 176.300 0.007 0.000 1.063 504 M CA 1.606 56.911 55.300 0.008 0.000 1.110 504 M CB -0.380 32.226 32.600 0.009 0.000 1.374 504 M HN 0.192 nan 8.290 nan 0.000 0.411 505 R N 0.289 120.793 120.500 0.007 0.000 2.081 505 R HA -0.147 4.180 4.340 -0.022 0.000 0.235 505 R C 2.022 178.325 176.300 0.005 0.000 1.131 505 R CA 1.514 57.617 56.100 0.006 0.000 0.960 505 R CB -0.380 29.924 30.300 0.006 0.000 0.856 505 R HN 0.514 nan 8.270 nan 0.000 0.436 506 E N 0.649 120.852 120.200 0.005 0.000 2.077 506 E HA -0.163 4.174 4.350 -0.022 0.000 0.193 506 E C 2.096 178.698 176.600 0.005 0.000 0.989 506 E CA 0.969 57.372 56.400 0.005 0.000 0.800 506 E CB -0.080 29.623 29.700 0.005 0.000 0.746 506 E HN 0.295 nan 8.360 nan 0.000 0.452 507 L N -0.402 120.824 121.223 0.005 0.000 2.046 507 L HA -0.083 4.244 4.340 -0.022 0.000 0.208 507 L C 1.666 178.538 176.870 0.004 0.000 1.077 507 L CA 1.042 55.885 54.840 0.005 0.000 0.747 507 L CB -0.510 41.553 42.059 0.006 0.000 0.896 507 L HN 0.400 nan 8.230 nan 0.000 0.432 508 G N -0.237 108.566 108.800 0.005 0.000 2.149 508 G HA2 -0.218 3.729 3.960 -0.022 0.000 0.235 508 G HA3 -0.218 3.729 3.960 -0.022 0.000 0.235 508 G C 0.315 175.218 174.900 0.004 0.000 1.018 508 G CA -0.025 45.078 45.100 0.004 0.000 0.728 508 G HN 0.579 nan 8.290 nan 0.000 0.508 509 A N 0.158 122.981 122.820 0.005 0.000 2.483 509 A HA 0.696 5.003 4.320 -0.022 0.000 0.238 509 A C 1.228 178.814 177.584 0.004 0.000 1.070 509 A CA 0.937 52.977 52.037 0.004 0.000 0.770 509 A CB 0.277 19.280 19.000 0.005 0.000 1.008 509 A HN 2.061 nan 8.150 nan 0.000 0.497 510 S N 0.917 116.619 115.700 0.003 0.000 2.624 510 S HA 0.368 4.825 4.470 -0.022 0.000 0.263 510 S C -0.294 174.307 174.600 0.002 0.000 1.287 510 S CA -0.193 58.008 58.200 0.002 0.000 0.990 510 S CB 0.689 63.890 63.200 0.002 0.000 0.950 510 S HN 0.740 nan 8.310 nan 0.000 0.561 511 D N 0.211 120.612 120.400 0.002 0.000 2.453 511 D HA 0.351 4.978 4.640 -0.022 0.000 0.223 511 D C -0.352 175.948 176.300 0.001 0.000 1.183 511 D CA -0.309 53.692 54.000 0.002 0.000 0.933 511 D CB -0.231 40.570 40.800 0.002 0.000 1.038 511 D HN 0.666 nan 8.370 nan 0.000 0.513 512 E N 0.137 120.337 120.200 -0.000 0.000 2.383 512 E HA 0.528 4.865 4.350 -0.022 0.000 0.275 512 E C 0.176 176.774 176.600 -0.003 0.000 0.918 512 E CA -1.226 55.173 56.400 -0.002 0.000 0.764 512 E CB 2.012 31.711 29.700 -0.002 0.000 1.252 512 E HN 0.267 nan 8.360 nan 0.000 0.449 513 A N 1.681 124.498 122.820 -0.006 0.000 1.902 513 A HA -0.196 4.111 4.320 -0.022 0.000 0.217 513 A C 1.364 178.942 177.584 -0.009 0.000 1.181 513 A CA 1.754 53.785 52.037 -0.009 0.000 0.623 513 A CB -0.350 18.643 19.000 -0.012 0.000 0.818 513 A HN 0.598 nan 8.150 nan 0.000 0.443 514 D N 0.110 120.505 120.400 -0.008 0.000 2.117 514 D HA -0.121 4.506 4.640 -0.022 0.000 0.197 514 D C 1.910 178.207 176.300 -0.004 0.000 0.987 514 D CA 0.801 54.796 54.000 -0.008 0.000 0.829 514 D CB -0.229 40.568 40.800 -0.006 0.000 0.961 514 D HN 0.259 nan 8.370 nan 0.000 0.460 515 L N 0.818 122.039 121.223 -0.002 0.000 2.046 515 L HA -0.141 4.186 4.340 -0.022 0.000 0.208 515 L C 2.337 179.209 176.870 0.003 0.000 1.077 515 L CA 1.294 56.134 54.840 0.001 0.000 0.747 515 L CB -1.241 40.820 42.059 0.002 0.000 0.896 515 L HN 0.153 nan 8.230 nan 0.000 0.432 516 Q N 0.750 120.550 119.800 0.001 0.000 2.084 516 Q HA -0.194 4.133 4.340 -0.022 0.000 0.202 516 Q C 2.312 178.312 176.000 0.001 0.000 0.978 516 Q CA 1.451 57.256 55.803 0.003 0.000 0.844 516 Q CB 0.009 28.746 28.738 -0.001 0.000 0.898 516 Q HN 0.439 nan 8.270 nan 0.000 0.426 517 R N -0.158 120.338 120.500 -0.007 0.000 2.081 517 R HA -0.127 4.200 4.340 -0.022 0.000 0.235 517 R C 2.517 178.815 176.300 -0.003 0.000 1.131 517 R CA 1.573 57.665 56.100 -0.014 0.000 0.960 517 R CB -0.134 30.153 30.300 -0.022 0.000 0.856 517 R HN 0.417 nan 8.270 nan 0.000 0.436 518 Q N 0.474 120.275 119.800 0.002 0.000 2.084 518 Q HA -0.128 4.199 4.340 -0.022 0.000 0.202 518 Q C 2.254 178.265 176.000 0.018 0.000 0.978 518 Q CA 1.259 57.067 55.803 0.008 0.000 0.844 518 Q CB -0.106 28.637 28.738 0.007 0.000 0.898 518 Q HN 0.356 nan 8.270 nan 0.000 0.426 519 L N 0.138 121.373 121.223 0.019 0.000 2.056 519 L HA -0.186 4.141 4.340 -0.022 0.000 0.207 519 L C 2.374 179.270 176.870 0.044 0.000 1.078 519 L CA 0.484 55.340 54.840 0.028 0.000 0.749 519 L CB -0.413 41.660 42.059 0.024 0.000 0.901 519 L HN 0.258 nan 8.230 nan 0.000 0.433 520 L N 0.250 121.499 121.223 0.044 0.000 2.131 520 L HA -0.213 4.114 4.340 -0.022 0.000 0.210 520 L C 2.441 179.377 176.870 0.109 0.000 1.092 520 L CA 1.689 56.573 54.840 0.073 0.000 0.759 520 L CB -0.541 41.534 42.059 0.028 0.000 0.903 520 L HN 0.277 nan 8.230 nan 0.000 0.435 521 E N -0.458 119.782 120.200 0.066 0.000 2.058 521 E HA -0.271 4.066 4.350 -0.022 0.000 0.194 521 E C 1.950 178.616 176.600 0.111 0.000 0.997 521 E CA 1.842 58.289 56.400 0.079 0.000 0.801 521 E CB -0.103 29.622 29.700 0.042 0.000 0.746 521 E HN 0.682 nan 8.360 nan 0.000 0.450 522 E N -0.046 120.200 120.200 0.076 0.000 2.046 522 E HA -0.131 4.206 4.350 -0.022 0.000 0.190 522 E C 2.069 178.710 176.600 0.068 0.000 0.982 522 E CA 0.768 57.206 56.400 0.062 0.000 0.800 522 E CB -0.119 29.604 29.700 0.038 0.000 0.756 522 E HN 0.345 nan 8.360 nan 0.000 0.449 523 A N 1.088 123.955 122.820 0.078 0.000 1.902 523 A HA -0.184 4.123 4.320 -0.022 0.000 0.217 523 A C 1.988 179.618 177.584 0.075 0.000 1.181 523 A CA 1.065 53.141 52.037 0.065 0.000 0.623 523 A CB -0.723 18.319 19.000 0.069 0.000 0.818 523 A HN 0.323 nan 8.150 nan 0.000 0.443 524 F N 1.199 121.151 119.950 0.003 0.000 2.134 524 F HA -0.029 4.484 4.527 -0.022 0.000 0.299 524 F C 2.296 178.098 175.800 0.004 0.000 1.097 524 F CA 1.586 59.588 58.000 0.004 0.000 1.264 524 F CB -0.675 38.327 39.000 0.003 0.000 1.001 524 F HN 0.199 nan 8.300 nan 0.000 0.479 525 G N -0.441 108.391 108.800 0.053 0.000 2.422 525 G HA2 -0.199 3.748 3.960 -0.022 0.000 0.218 525 G HA3 -0.199 3.748 3.960 -0.022 0.000 0.218 525 G C 1.926 176.750 174.900 -0.128 0.000 1.146 525 G CA 0.660 45.739 45.100 -0.036 0.000 0.769 525 G HN 0.623 nan 8.290 nan 0.000 0.547 526 G N 0.432 109.180 108.800 -0.088 0.000 2.418 526 G HA2 -0.157 3.790 3.960 -0.022 0.000 0.217 526 G HA3 -0.157 3.790 3.960 -0.022 0.000 0.217 526 G C 1.760 176.585 174.900 -0.126 0.000 1.158 526 G CA 1.138 46.191 45.100 -0.079 0.000 0.771 526 G HN 0.317 nan 8.290 nan 0.000 0.545 527 V N 0.684 120.479 119.914 -0.199 0.000 2.407 527 V HA -0.179 3.927 4.120 -0.022 0.000 0.248 527 V C 2.808 178.767 176.094 -0.226 0.000 1.055 527 V CA 2.264 64.438 62.300 -0.209 0.000 1.049 527 V CB -0.387 31.274 31.823 -0.271 0.000 0.662 527 V HN 0.381 nan 8.190 nan 0.000 0.455 528 K N 0.041 120.249 120.400 -0.320 0.000 2.063 528 K HA -0.159 4.148 4.320 -0.022 0.000 0.208 528 K C 1.292 177.817 176.600 -0.125 0.000 1.048 528 K CA 0.945 57.091 56.287 -0.235 0.000 0.928 528 K CB -0.116 32.250 32.500 -0.223 0.000 0.713 528 K HN 0.612 nan 8.250 nan 0.000 0.442 529 E N 0.000 120.138 120.200 -0.104 0.000 2.725 529 E HA 0.000 4.337 4.350 -0.022 0.000 0.291 529 E CA 0.000 56.363 56.400 -0.062 0.000 0.976 529 E CB 0.000 29.671 29.700 -0.048 0.000 0.812 529 E HN 0.000 nan 8.360 nan 0.000 0.440