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 2np9_1_C DATA FIRST_RESID 12 DATA SEQUENCE DGLWAALTEA AASVEKLLAT LPEHGARSSA ERAEIAAAHD AARALRVRFL DATA SEQUENCE DTHADAVYDR LTDHRRVHLR LAELVEAAAT AFPGLVPTQQ QLAVERSLPQ DATA SEQUENCE AAKEGHEIDQ GIFLRAVLRS PLAGPHLLDA MLRPTPRALE LLPEFVRTGE DATA SEQUENCE VEMEAVHLER RDGVARLTMC RDDRLNAEDG QQVDDMETAV DLALLDPGVR DATA SEQUENCE VGLLRGGVMS HPRYRGKRVF SAGINLKYLS QGGISLVDFL MRRELGYIHK DATA SEQUENCE LVRGVLTNDD RPGWWHSPRI EKPWVAAVDG FAIGGGAQLL LVFDRVLASS DATA SEQUENCE DAYFSLPAAK EGIIPGAANL RLGRFAGPRV SRQVILEGRR IWAKEPEARL DATA SEQUENCE LVDEVVEPDE LDAAIERSLT RLDGDAVLAN RRMLNLADES PDGFRAYMAE DATA SEQUENCE FALMQALRLY GHDVIDKVGR F 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.393 176.300 0.154 0.000 2.045 12 D CA 0.000 54.099 54.000 0.165 0.000 0.868 12 D CB 0.000 40.920 40.800 0.200 0.000 0.688 13 G N 1.480 110.369 108.800 0.149 0.000 2.296 13 G HA2 -0.297 3.663 3.960 0.000 0.000 0.282 13 G HA3 -0.297 3.663 3.960 0.000 0.000 0.282 13 G C 1.048 176.025 174.900 0.129 0.000 1.014 13 G CA 1.217 46.392 45.100 0.125 0.000 0.812 13 G HN 0.425 nan 8.290 nan 0.000 0.508 14 L N -1.620 119.726 121.223 0.205 0.000 2.156 14 L HA 0.039 4.379 4.340 0.000 0.000 0.208 14 L C 2.638 179.575 176.870 0.111 0.000 1.095 14 L CA 1.334 56.304 54.840 0.215 0.000 0.770 14 L CB -0.295 42.009 42.059 0.408 0.000 0.914 14 L HN 0.608 nan 8.230 nan 0.000 0.439 15 W N 1.187 122.425 121.300 -0.104 0.000 2.354 15 W HA -0.255 4.405 4.660 -0.000 0.000 0.315 15 W C 2.445 178.863 176.519 -0.168 0.000 1.206 15 W CA 1.576 58.731 57.345 -0.318 0.000 1.290 15 W CB -0.010 29.273 29.460 -0.295 0.000 1.152 15 W HN 0.179 nan 8.180 nan 0.000 0.489 16 A N 1.214 123.979 122.820 -0.092 0.000 1.892 16 A HA -0.218 4.102 4.320 0.000 0.000 0.218 16 A C 2.139 179.593 177.584 -0.216 0.000 1.188 16 A CA 3.139 55.085 52.037 -0.152 0.000 0.631 16 A CB -1.463 17.527 19.000 -0.017 0.000 0.822 16 A HN 0.383 nan 8.150 nan 0.000 0.447 17 A N -0.597 122.139 122.820 -0.140 0.000 1.865 17 A HA -0.070 4.250 4.320 0.000 0.000 0.217 17 A C 2.171 179.633 177.584 -0.203 0.000 1.191 17 A CA 1.902 53.865 52.037 -0.122 0.000 0.623 17 A CB -0.767 18.206 19.000 -0.046 0.000 0.826 17 A HN 0.851 nan 8.150 nan 0.000 0.444 18 L N -0.104 120.945 121.223 -0.290 0.000 2.012 18 L HA -0.140 4.200 4.340 0.000 0.000 0.210 18 L C 2.403 178.990 176.870 -0.471 0.000 1.073 18 L CA 2.928 57.550 54.840 -0.364 0.000 0.748 18 L CB -1.313 40.463 42.059 -0.471 0.000 0.891 18 L HN 0.382 nan 8.230 nan 0.000 0.431 19 T N -0.633 113.497 114.554 -0.706 0.000 2.737 19 T HA -0.250 4.100 4.350 0.000 0.000 0.269 19 T C 1.753 176.262 174.700 -0.318 0.000 1.040 19 T CA 1.768 63.511 62.100 -0.595 0.000 1.142 19 T CB -0.177 68.309 68.868 -0.636 0.000 0.861 19 T HN 0.553 nan 8.240 nan 0.000 0.456 20 E N 0.558 120.605 120.200 -0.255 0.000 2.051 20 E HA -0.009 4.341 4.350 0.000 0.000 0.189 20 E C 2.471 178.991 176.600 -0.134 0.000 0.979 20 E CA 0.767 57.071 56.400 -0.160 0.000 0.803 20 E CB -0.214 29.412 29.700 -0.123 0.000 0.761 20 E HN 0.437 nan 8.360 nan 0.000 0.451 21 A N 1.320 124.057 122.820 -0.138 0.000 1.940 21 A HA -0.175 4.145 4.320 0.000 0.000 0.219 21 A C 2.364 179.888 177.584 -0.100 0.000 1.176 21 A CA 1.976 53.952 52.037 -0.102 0.000 0.631 21 A CB -0.815 18.133 19.000 -0.087 0.000 0.814 21 A HN 0.426 nan 8.150 nan 0.000 0.446 22 A N -0.159 122.582 122.820 -0.132 0.000 1.855 22 A HA 0.182 4.502 4.320 0.000 0.000 0.215 22 A C 2.563 180.092 177.584 -0.093 0.000 1.191 22 A CA 2.172 54.143 52.037 -0.109 0.000 0.613 22 A CB -1.219 17.687 19.000 -0.156 0.000 0.829 22 A HN 1.135 nan 8.150 nan 0.000 0.442 23 A N -0.600 122.154 122.820 -0.109 0.000 1.917 23 A HA -0.190 4.130 4.320 0.000 0.000 0.219 23 A C 2.501 180.042 177.584 -0.071 0.000 1.182 23 A CA 2.472 54.458 52.037 -0.085 0.000 0.633 23 A CB -1.158 17.788 19.000 -0.090 0.000 0.819 23 A HN 0.662 nan 8.150 nan 0.000 0.448 24 S N -0.918 114.736 115.700 -0.077 0.000 2.387 24 S HA -0.144 4.326 4.470 0.000 0.000 0.230 24 S C 1.869 176.422 174.600 -0.078 0.000 1.035 24 S CA 1.835 59.993 58.200 -0.071 0.000 1.014 24 S CB -0.472 62.685 63.200 -0.072 0.000 0.836 24 S HN 0.313 nan 8.310 nan 0.000 0.466 25 V N 1.335 121.199 119.914 -0.085 0.000 2.302 25 V HA -0.055 4.065 4.120 0.000 0.000 0.243 25 V C 2.462 178.520 176.094 -0.059 0.000 1.036 25 V CA 1.875 64.111 62.300 -0.107 0.000 1.020 25 V CB -0.785 30.977 31.823 -0.100 0.000 0.657 25 V HN 0.497 nan 8.190 nan 0.000 0.453 26 E N 0.452 120.634 120.200 -0.031 0.000 2.097 26 E HA -0.284 4.066 4.350 0.000 0.000 0.196 26 E C 2.387 178.979 176.600 -0.014 0.000 1.000 26 E CA 2.051 58.445 56.400 -0.010 0.000 0.804 26 E CB -0.203 29.482 29.700 -0.025 0.000 0.740 26 E HN 0.666 nan 8.360 nan 0.000 0.454 27 K N 0.861 121.243 120.400 -0.030 0.000 2.243 27 K HA 0.058 4.378 4.320 0.000 0.000 0.201 27 K C 1.774 178.357 176.600 -0.028 0.000 1.051 27 K CA 0.596 56.867 56.287 -0.026 0.000 0.970 27 K CB -0.651 31.830 32.500 -0.031 0.000 0.755 27 K HN 0.124 nan 8.250 nan 0.000 0.465 28 L N 0.042 121.240 121.223 -0.042 0.000 2.141 28 L HA 0.040 4.380 4.340 0.000 0.000 0.209 28 L C 2.262 179.110 176.870 -0.037 0.000 1.094 28 L CA 0.842 55.652 54.840 -0.050 0.000 0.763 28 L CB -0.001 42.009 42.059 -0.081 0.000 0.908 28 L HN 0.353 nan 8.230 nan 0.000 0.437 29 L N -1.003 120.206 121.223 -0.023 0.000 2.313 29 L HA -0.035 4.306 4.340 0.000 0.000 0.214 29 L C 2.585 179.462 176.870 0.013 0.000 1.119 29 L CA 0.605 55.447 54.840 0.005 0.000 0.809 29 L CB -0.465 41.618 42.059 0.042 0.000 0.933 29 L HN 0.249 nan 8.230 nan 0.000 0.449 30 A N 0.053 122.876 122.820 0.005 0.000 1.930 30 A HA -0.135 4.185 4.320 0.000 0.000 0.215 30 A C 2.421 180.005 177.584 0.001 0.000 1.176 30 A CA 1.789 53.830 52.037 0.006 0.000 0.632 30 A CB -0.570 18.431 19.000 0.002 0.000 0.819 30 A HN 0.451 nan 8.150 nan 0.000 0.445 31 T N -2.624 111.926 114.554 -0.006 0.000 2.939 31 T HA 0.169 4.519 4.350 0.000 0.000 0.254 31 T C 0.816 175.511 174.700 -0.008 0.000 1.041 31 T CA 0.238 62.333 62.100 -0.008 0.000 1.142 31 T CB -0.584 68.276 68.868 -0.014 0.000 0.874 31 T HN 0.088 nan 8.240 nan 0.000 0.452 32 L N 4.050 125.267 121.223 -0.011 0.000 2.499 32 L HA 0.318 4.658 4.340 0.000 0.000 0.281 32 L C -1.844 175.024 176.870 -0.003 0.000 1.234 32 L CA -1.527 53.306 54.840 -0.013 0.000 0.839 32 L CB 0.005 42.051 42.059 -0.021 0.000 1.104 32 L HN 0.201 nan 8.230 nan 0.000 0.500 33 P HA 0.108 nan 4.420 nan 0.000 0.276 33 P C -1.010 176.299 177.300 0.015 0.000 1.252 33 P CA -0.624 62.478 63.100 0.003 0.000 0.802 33 P CB 0.416 32.115 31.700 -0.003 0.000 1.035 34 E N 0.119 120.336 120.200 0.029 0.000 2.481 34 E HA -0.082 4.268 4.350 0.000 0.000 0.263 34 E C 0.729 177.379 176.600 0.082 0.000 0.992 34 E CA 0.169 56.604 56.400 0.059 0.000 0.938 34 E CB 0.015 29.747 29.700 0.055 0.000 0.933 34 E HN 0.468 nan 8.360 nan 0.000 0.453 35 H N 1.250 120.328 119.070 0.014 0.000 3.094 35 H HA -0.068 4.488 4.556 0.000 0.000 0.320 35 H C 1.149 176.486 175.328 0.015 0.000 1.000 35 H CA 1.722 57.780 56.048 0.018 0.000 1.413 35 H CB 0.451 30.226 29.762 0.021 0.000 1.405 35 H HN 0.808 nan 8.280 nan 0.000 0.586 36 G N 2.723 111.575 108.800 0.087 0.000 2.176 36 G HA2 -0.243 3.717 3.960 0.000 0.000 0.253 36 G HA3 -0.243 3.717 3.960 0.000 0.000 0.253 36 G C 0.649 175.572 174.900 0.038 0.000 0.979 36 G CA 0.299 45.471 45.100 0.120 0.000 0.641 36 G HN 0.980 nan 8.290 nan 0.000 0.530 37 A N -0.646 122.179 122.820 0.008 0.000 2.600 37 A HA 0.604 4.924 4.320 0.000 0.000 0.252 37 A C 1.054 178.624 177.584 -0.022 0.000 1.200 37 A CA 0.357 52.394 52.037 0.000 0.000 0.981 37 A CB 0.413 19.421 19.000 0.013 0.000 1.207 37 A HN 0.392 nan 8.150 nan 0.000 0.577 38 R N 0.498 120.967 120.500 -0.051 0.000 2.582 38 R HA 0.466 4.806 4.340 0.000 0.000 0.271 38 R C 0.296 176.562 176.300 -0.057 0.000 1.078 38 R CA 0.100 56.163 56.100 -0.062 0.000 1.127 38 R CB 0.859 31.099 30.300 -0.101 0.000 1.038 38 R HN 0.239 nan 8.270 nan 0.000 0.500 39 S N 0.052 115.726 115.700 -0.045 0.000 2.669 39 S HA 0.061 4.531 4.470 0.000 0.000 0.270 39 S C 1.172 175.747 174.600 -0.042 0.000 1.225 39 S CA -0.587 57.591 58.200 -0.037 0.000 0.991 39 S CB 1.321 64.504 63.200 -0.028 0.000 0.987 39 S HN 0.605 nan 8.310 nan 0.000 0.552 40 S N 1.939 117.618 115.700 -0.035 0.000 2.374 40 S HA -0.148 4.322 4.470 0.000 0.000 0.227 40 S C 2.017 176.600 174.600 -0.028 0.000 1.037 40 S CA 1.506 59.687 58.200 -0.032 0.000 1.024 40 S CB -0.693 62.492 63.200 -0.025 0.000 0.861 40 S HN 0.796 nan 8.310 nan 0.000 0.456 41 A N 1.132 123.937 122.820 -0.026 0.000 2.014 41 A HA -0.065 4.255 4.320 0.000 0.000 0.218 41 A C 1.981 179.548 177.584 -0.029 0.000 1.163 41 A CA 1.050 53.072 52.037 -0.023 0.000 0.652 41 A CB -0.313 18.675 19.000 -0.021 0.000 0.808 41 A HN 0.556 nan 8.150 nan 0.000 0.449 42 E N -0.395 119.784 120.200 -0.035 0.000 2.051 42 E HA -0.111 4.239 4.350 0.000 0.000 0.189 42 E C 2.242 178.812 176.600 -0.049 0.000 0.979 42 E CA 0.693 57.068 56.400 -0.042 0.000 0.803 42 E CB -0.171 29.502 29.700 -0.045 0.000 0.761 42 E HN 0.497 nan 8.360 nan 0.000 0.451 43 R N 0.571 121.038 120.500 -0.056 0.000 2.120 43 R HA -0.087 4.253 4.340 0.000 0.000 0.234 43 R C 2.265 178.551 176.300 -0.024 0.000 1.123 43 R CA 1.105 57.171 56.100 -0.057 0.000 0.975 43 R CB -0.190 30.069 30.300 -0.069 0.000 0.866 43 R HN 0.099 nan 8.270 nan 0.000 0.446 44 A N 0.586 123.394 122.820 -0.020 0.000 1.968 44 A HA -0.160 4.160 4.320 0.000 0.000 0.217 44 A C 1.963 179.538 177.584 -0.015 0.000 1.169 44 A CA 1.086 53.118 52.037 -0.009 0.000 0.638 44 A CB -0.226 18.768 19.000 -0.009 0.000 0.812 44 A HN 0.370 nan 8.150 nan 0.000 0.446 45 E N -0.448 119.734 120.200 -0.029 0.000 2.046 45 E HA -0.164 4.186 4.350 0.000 0.000 0.190 45 E C 1.783 178.347 176.600 -0.061 0.000 0.982 45 E CA 1.285 57.661 56.400 -0.040 0.000 0.800 45 E CB -0.185 29.489 29.700 -0.042 0.000 0.756 45 E HN 0.453 nan 8.360 nan 0.000 0.449 46 I N 0.932 121.460 120.570 -0.070 0.000 2.493 46 I HA -0.120 4.050 4.170 0.000 0.000 0.254 46 I C 1.956 178.020 176.117 -0.089 0.000 1.160 46 I CA 1.329 62.553 61.300 -0.127 0.000 1.445 46 I CB -0.284 37.661 38.000 -0.090 0.000 1.086 46 I HN 0.178 nan 8.210 nan 0.000 0.433 47 A N 0.505 123.330 122.820 0.008 0.000 1.872 47 A HA 0.016 4.336 4.320 0.000 0.000 0.214 47 A C 2.497 180.110 177.584 0.049 0.000 1.187 47 A CA 1.517 53.598 52.037 0.074 0.000 0.614 47 A CB -1.298 17.737 19.000 0.058 0.000 0.826 47 A HN 0.488 nan 8.150 nan 0.000 0.442 48 A N -0.269 122.555 122.820 0.007 0.000 2.015 48 A HA 0.217 4.537 4.320 0.000 0.000 0.219 48 A C 2.409 179.985 177.584 -0.014 0.000 1.163 48 A CA 1.878 53.916 52.037 0.001 0.000 0.646 48 A CB -0.798 18.196 19.000 -0.010 0.000 0.806 48 A HN 0.948 nan 8.150 nan 0.000 0.448 49 A N -1.037 121.748 122.820 -0.059 0.000 1.873 49 A HA -0.141 4.179 4.320 0.000 0.000 0.215 49 A C 2.078 179.623 177.584 -0.066 0.000 1.186 49 A CA 1.506 53.482 52.037 -0.101 0.000 0.616 49 A CB -0.862 18.025 19.000 -0.189 0.000 0.823 49 A HN 0.596 nan 8.150 nan 0.000 0.442 50 H N -0.507 118.556 119.070 -0.012 0.000 2.321 50 H HA -0.141 4.415 4.556 0.000 0.000 0.300 50 H C 1.926 177.247 175.328 -0.011 0.000 1.087 50 H CA 1.907 57.949 56.048 -0.010 0.000 1.319 50 H CB -0.508 29.241 29.762 -0.022 0.000 1.379 50 H HN 0.616 nan 8.280 nan 0.000 0.501 51 D N 0.194 120.667 120.400 0.120 0.000 2.123 51 D HA -0.115 4.525 4.640 0.000 0.000 0.196 51 D C 2.237 178.561 176.300 0.040 0.000 0.992 51 D CA 1.457 55.493 54.000 0.061 0.000 0.833 51 D CB -0.048 40.776 40.800 0.041 0.000 0.954 51 D HN 0.333 nan 8.370 nan 0.000 0.455 52 A N 0.144 122.979 122.820 0.026 0.000 1.929 52 A HA 0.132 4.452 4.320 0.000 0.000 0.216 52 A C 2.289 179.879 177.584 0.011 0.000 1.176 52 A CA 1.800 53.844 52.037 0.010 0.000 0.628 52 A CB -0.864 18.131 19.000 -0.007 0.000 0.816 52 A HN 0.304 nan 8.150 nan 0.000 0.444 53 A N 0.128 122.959 122.820 0.019 0.000 1.858 53 A HA -0.154 4.166 4.320 0.000 0.000 0.216 53 A C 2.224 179.828 177.584 0.034 0.000 1.190 53 A CA 1.586 53.631 52.037 0.015 0.000 0.617 53 A CB -0.487 18.536 19.000 0.039 0.000 0.827 53 A HN 0.512 nan 8.150 nan 0.000 0.443 54 R N -0.451 120.081 120.500 0.055 0.000 2.120 54 R HA -0.056 4.285 4.340 0.000 0.000 0.234 54 R C 2.377 178.709 176.300 0.052 0.000 1.123 54 R CA 1.127 57.259 56.100 0.053 0.000 0.975 54 R CB -0.446 29.878 30.300 0.041 0.000 0.866 54 R HN 0.528 nan 8.270 nan 0.000 0.446 55 A N 0.913 123.759 122.820 0.043 0.000 1.933 55 A HA -0.116 4.204 4.320 0.000 0.000 0.218 55 A C 2.090 179.711 177.584 0.061 0.000 1.175 55 A CA 1.113 53.176 52.037 0.043 0.000 0.628 55 A CB -0.407 18.613 19.000 0.032 0.000 0.814 55 A HN 0.198 nan 8.150 nan 0.000 0.444 56 L N -1.437 119.821 121.223 0.059 0.000 2.156 56 L HA -0.113 4.227 4.340 0.000 0.000 0.208 56 L C 2.794 179.753 176.870 0.148 0.000 1.095 56 L CA 0.998 55.888 54.840 0.082 0.000 0.770 56 L CB -0.328 41.747 42.059 0.028 0.000 0.914 56 L HN 0.330 nan 8.230 nan 0.000 0.439 57 R N -0.762 119.816 120.500 0.130 0.000 2.081 57 R HA -0.142 4.198 4.340 0.000 0.000 0.235 57 R C 2.223 178.655 176.300 0.220 0.000 1.131 57 R CA 1.333 57.553 56.100 0.200 0.000 0.960 57 R CB -0.406 29.984 30.300 0.150 0.000 0.856 57 R HN 0.141 nan 8.270 nan 0.000 0.436 58 V N 0.730 120.727 119.914 0.138 0.000 2.270 58 V HA -0.253 3.867 4.120 0.000 0.000 0.245 58 V C 2.236 178.393 176.094 0.106 0.000 1.043 58 V CA 1.787 64.146 62.300 0.099 0.000 1.014 58 V CB -0.471 31.385 31.823 0.056 0.000 0.645 58 V HN 0.309 nan 8.190 nan 0.000 0.447 59 R N -0.853 119.719 120.500 0.121 0.000 2.103 59 R HA -0.213 4.127 4.340 0.000 0.000 0.242 59 R C 2.235 178.647 176.300 0.187 0.000 1.142 59 R CA 2.131 58.305 56.100 0.124 0.000 0.960 59 R CB -0.571 29.803 30.300 0.124 0.000 0.858 59 R HN 0.548 nan 8.270 nan 0.000 0.439 60 F N 1.346 121.376 119.950 0.134 0.000 2.113 60 F HA -0.091 4.436 4.527 0.000 0.000 0.297 60 F C 1.820 177.756 175.800 0.227 0.000 1.103 60 F CA 1.348 59.482 58.000 0.223 0.000 1.248 60 F CB -0.253 38.890 39.000 0.238 0.000 0.999 60 F HN -0.123 nan 8.300 nan 0.000 0.475 61 L N 0.005 121.208 121.223 -0.033 0.000 2.217 61 L HA -0.161 4.179 4.340 0.000 0.000 0.211 61 L C 1.816 178.584 176.870 -0.169 0.000 1.107 61 L CA 0.914 55.649 54.840 -0.175 0.000 0.783 61 L CB -0.812 41.257 42.059 0.017 0.000 0.919 61 L HN 0.081 nan 8.230 nan 0.000 0.442 62 D N -0.292 120.050 120.400 -0.097 0.000 2.309 62 D HA -0.132 4.508 4.640 0.000 0.000 0.212 62 D C 1.858 178.056 176.300 -0.169 0.000 0.968 62 D CA 1.867 55.805 54.000 -0.104 0.000 0.882 62 D CB 0.168 40.936 40.800 -0.053 0.000 0.918 62 D HN 0.478 nan 8.370 nan 0.000 0.503 63 T N -4.485 109.907 114.554 -0.269 0.000 2.986 63 T HA 0.101 4.451 4.350 0.000 0.000 0.264 63 T C 1.086 175.382 174.700 -0.674 0.000 0.964 63 T CA -0.192 61.650 62.100 -0.431 0.000 0.895 63 T CB -0.009 68.575 68.868 -0.474 0.000 1.163 63 T HN 0.087 nan 8.240 nan 0.000 0.517 64 H N 0.187 119.017 119.070 -0.400 0.000 3.058 64 H HA 0.701 5.257 4.556 0.000 0.000 0.266 64 H C 2.239 177.339 175.328 -0.380 0.000 1.135 64 H CA 0.151 55.931 56.048 -0.447 0.000 1.174 64 H CB 0.414 29.712 29.762 -0.773 0.000 1.581 64 H HN 0.383 nan 8.280 nan 0.000 0.553 65 A N 1.135 123.809 122.820 -0.243 0.000 1.915 65 A HA -0.287 4.033 4.320 0.000 0.000 0.220 65 A C 1.817 179.348 177.584 -0.089 0.000 1.198 65 A CA 2.342 54.282 52.037 -0.162 0.000 0.647 65 A CB -0.406 18.488 19.000 -0.177 0.000 0.825 65 A HN 0.362 nan 8.150 nan 0.000 0.456 66 D N -0.340 119.999 120.400 -0.102 0.000 2.123 66 D HA -0.082 4.558 4.640 0.000 0.000 0.196 66 D C 2.248 178.537 176.300 -0.017 0.000 0.992 66 D CA 1.573 55.537 54.000 -0.061 0.000 0.833 66 D CB -0.331 40.420 40.800 -0.081 0.000 0.954 66 D HN 0.482 nan 8.370 nan 0.000 0.455 67 A N 0.699 123.504 122.820 -0.026 0.000 1.929 67 A HA -0.081 4.239 4.320 0.000 0.000 0.216 67 A C 2.521 180.125 177.584 0.032 0.000 1.176 67 A CA 0.770 52.808 52.037 0.001 0.000 0.628 67 A CB -0.585 18.451 19.000 0.059 0.000 0.816 67 A HN 0.125 nan 8.150 nan 0.000 0.444 68 V N -1.590 118.317 119.914 -0.012 0.000 2.594 68 V HA -0.251 3.869 4.120 0.000 0.000 0.253 68 V C 2.258 178.409 176.094 0.094 0.000 1.069 68 V CA 2.037 64.279 62.300 -0.096 0.000 1.082 68 V CB -0.889 30.749 31.823 -0.309 0.000 0.680 68 V HN 0.723 nan 8.190 nan 0.000 0.469 69 Y N 0.638 120.928 120.300 -0.016 0.000 2.301 69 Y HA -0.074 4.476 4.550 0.000 0.000 0.295 69 Y C 2.373 178.237 175.900 -0.060 0.000 1.119 69 Y CA 1.344 59.447 58.100 0.004 0.000 1.162 69 Y CB 0.020 38.446 38.460 -0.057 0.000 1.046 69 Y HN 0.255 nan 8.280 nan 0.000 0.538 70 D N 0.113 120.501 120.400 -0.020 0.000 2.178 70 D HA -0.188 4.452 4.640 0.000 0.000 0.201 70 D C 2.084 178.258 176.300 -0.211 0.000 0.980 70 D CA 1.131 54.974 54.000 -0.263 0.000 0.842 70 D CB -0.215 40.219 40.800 -0.609 0.000 0.948 70 D HN 0.347 nan 8.370 nan 0.000 0.472 71 R N 0.296 120.754 120.500 -0.070 0.000 2.090 71 R HA 0.013 4.353 4.340 0.000 0.000 0.228 71 R C 2.363 178.657 176.300 -0.010 0.000 1.110 71 R CA 0.476 56.583 56.100 0.011 0.000 0.973 71 R CB -0.062 30.310 30.300 0.120 0.000 0.869 71 R HN 0.157 nan 8.270 nan 0.000 0.440 72 L N -0.142 121.059 121.223 -0.037 0.000 2.240 72 L HA -0.031 4.309 4.340 0.000 0.000 0.211 72 L C 1.727 178.505 176.870 -0.154 0.000 1.106 72 L CA 1.491 56.288 54.840 -0.072 0.000 0.793 72 L CB -0.069 41.953 42.059 -0.060 0.000 0.927 72 L HN 0.341 nan 8.230 nan 0.000 0.446 73 T N -5.439 108.954 114.554 -0.267 0.000 3.174 73 T HA 0.120 4.470 4.350 0.000 0.000 0.269 73 T C 0.378 175.009 174.700 -0.116 0.000 1.017 73 T CA -0.144 61.819 62.100 -0.228 0.000 0.899 73 T CB 0.005 68.616 68.868 -0.427 0.000 1.077 73 T HN 0.205 nan 8.240 nan 0.000 0.552 74 D N 2.186 122.552 120.400 -0.057 0.000 2.697 74 D HA -0.249 4.391 4.640 0.000 0.000 0.238 74 D C -0.227 176.141 176.300 0.114 0.000 1.152 74 D CA 0.887 54.912 54.000 0.042 0.000 0.666 74 D CB -2.334 38.484 40.800 0.029 0.000 1.037 74 D HN 0.826 nan 8.370 nan 0.000 0.423 75 H N -0.689 118.350 119.070 -0.052 0.000 2.748 75 H HA -0.212 4.344 4.556 0.000 0.000 0.322 75 H C 0.576 175.862 175.328 -0.070 0.000 1.208 75 H CA 1.219 57.247 56.048 -0.034 0.000 1.151 75 H CB -1.184 28.571 29.762 -0.011 0.000 1.505 75 H HN 0.510 nan 8.280 nan 0.000 0.429 76 R N -1.392 119.024 120.500 -0.140 0.000 3.525 76 R HA -0.268 4.072 4.340 0.000 0.000 0.276 76 R C 1.059 177.301 176.300 -0.098 0.000 1.116 76 R CA 1.281 57.154 56.100 -0.378 0.000 0.745 76 R CB -0.851 29.321 30.300 -0.213 0.000 1.185 76 R HN 0.580 nan 8.270 nan 0.000 0.454 77 R N -0.575 119.906 120.500 -0.031 0.000 2.373 77 R HA 0.185 4.525 4.340 0.000 0.000 0.221 77 R C -0.213 176.087 176.300 -0.000 0.000 0.893 77 R CA 0.320 56.429 56.100 0.016 0.000 1.049 77 R CB 1.204 31.519 30.300 0.026 0.000 1.119 77 R HN -0.056 nan 8.270 nan 0.000 0.535 78 V N 1.982 121.907 119.914 0.019 0.000 2.483 78 V HA 0.244 4.364 4.120 0.000 0.000 0.297 78 V C -0.585 175.604 176.094 0.158 0.000 1.027 78 V CA -1.026 61.298 62.300 0.040 0.000 0.855 78 V CB 1.673 33.517 31.823 0.036 0.000 0.995 78 V HN 0.189 nan 8.190 nan 0.000 0.424 79 H N 5.319 124.511 119.070 0.203 0.000 2.767 79 H HA 0.509 5.065 4.556 0.000 0.000 0.316 79 H C -0.530 174.880 175.328 0.135 0.000 1.059 79 H CA -0.004 56.138 56.048 0.157 0.000 1.461 79 H CB 1.278 31.046 29.762 0.010 0.000 1.475 79 H HN 0.418 nan 8.280 nan 0.000 0.531 80 L N 4.329 125.734 121.223 0.304 0.000 2.376 80 L HA 0.377 4.717 4.340 0.000 0.000 0.275 80 L C 0.730 177.711 176.870 0.185 0.000 0.987 80 L CA -0.640 54.318 54.840 0.195 0.000 0.828 80 L CB 1.873 44.020 42.059 0.147 0.000 1.249 80 L HN 0.427 nan 8.230 nan 0.000 0.409 81 R N 1.618 122.200 120.500 0.137 0.000 2.863 81 R HA 0.119 4.459 4.340 0.000 0.000 0.273 81 R C 1.234 177.620 176.300 0.143 0.000 1.057 81 R CA -0.243 55.929 56.100 0.121 0.000 1.191 81 R CB 0.531 30.886 30.300 0.091 0.000 1.104 81 R HN 0.577 nan 8.270 nan 0.000 0.519 82 L N 1.012 122.317 121.223 0.138 0.000 1.990 82 L HA -0.311 4.029 4.340 0.000 0.000 0.213 82 L C 2.586 179.548 176.870 0.152 0.000 1.072 82 L CA 1.934 56.869 54.840 0.157 0.000 0.755 82 L CB -0.714 41.427 42.059 0.138 0.000 0.889 82 L HN 0.835 nan 8.230 nan 0.000 0.432 83 A N -0.090 122.803 122.820 0.121 0.000 1.865 83 A HA -0.248 4.072 4.320 0.000 0.000 0.217 83 A C 2.113 179.756 177.584 0.098 0.000 1.191 83 A CA 2.027 54.127 52.037 0.105 0.000 0.623 83 A CB -0.559 18.494 19.000 0.088 0.000 0.826 83 A HN 0.402 nan 8.150 nan 0.000 0.444 84 E N -0.591 119.666 120.200 0.095 0.000 2.153 84 E HA -0.144 4.206 4.350 0.000 0.000 0.194 84 E C 1.825 178.481 176.600 0.092 0.000 0.988 84 E CA 1.020 57.470 56.400 0.083 0.000 0.811 84 E CB -0.350 29.399 29.700 0.081 0.000 0.746 84 E HN 0.541 nan 8.360 nan 0.000 0.466 85 L N 0.265 121.570 121.223 0.136 0.000 2.005 85 L HA -0.130 4.210 4.340 0.000 0.000 0.207 85 L C 2.293 179.250 176.870 0.144 0.000 1.072 85 L CA 1.549 56.496 54.840 0.178 0.000 0.744 85 L CB -0.622 41.617 42.059 0.300 0.000 0.895 85 L HN 0.199 nan 8.230 nan 0.000 0.433 86 V N -2.680 117.325 119.914 0.151 0.000 2.490 86 V HA -0.242 3.878 4.120 0.000 0.000 0.250 86 V C 2.297 178.377 176.094 -0.023 0.000 1.061 86 V CA 1.983 64.302 62.300 0.030 0.000 1.064 86 V CB -1.070 30.815 31.823 0.104 0.000 0.670 86 V HN 0.671 nan 8.190 nan 0.000 0.461 87 E N 1.042 121.256 120.200 0.025 0.000 2.047 87 E HA -0.133 4.217 4.350 0.000 0.000 0.191 87 E C 2.250 178.850 176.600 0.001 0.000 0.987 87 E CA 1.373 57.782 56.400 0.014 0.000 0.799 87 E CB -0.370 29.349 29.700 0.031 0.000 0.752 87 E HN 0.683 nan 8.360 nan 0.000 0.449 88 A N 1.008 123.835 122.820 0.013 0.000 1.972 88 A HA -0.073 4.247 4.320 0.000 0.000 0.219 88 A C 2.308 179.899 177.584 0.012 0.000 1.169 88 A CA 1.626 53.669 52.037 0.011 0.000 0.635 88 A CB -0.582 18.431 19.000 0.022 0.000 0.810 88 A HN 0.405 nan 8.150 nan 0.000 0.446 89 A N -0.077 122.725 122.820 -0.029 0.000 1.898 89 A HA 0.211 4.531 4.320 0.000 0.000 0.216 89 A C 2.487 180.074 177.584 0.005 0.000 1.181 89 A CA 1.818 53.820 52.037 -0.059 0.000 0.620 89 A CB -0.972 17.696 19.000 -0.554 0.000 0.819 89 A HN 1.028 nan 8.150 nan 0.000 0.442 90 A N -0.170 122.622 122.820 -0.046 0.000 1.940 90 A HA -0.147 4.173 4.320 0.000 0.000 0.219 90 A C 2.433 180.023 177.584 0.011 0.000 1.176 90 A CA 2.676 54.704 52.037 -0.014 0.000 0.631 90 A CB -1.261 17.723 19.000 -0.027 0.000 0.814 90 A HN 0.769 nan 8.150 nan 0.000 0.446 91 T N -3.313 111.236 114.554 -0.007 0.000 2.978 91 T HA 0.326 4.676 4.350 0.000 0.000 0.262 91 T C 1.848 176.498 174.700 -0.082 0.000 1.063 91 T CA 1.198 63.280 62.100 -0.030 0.000 1.140 91 T CB -0.276 68.573 68.868 -0.033 0.000 0.886 91 T HN 0.500 nan 8.240 nan 0.000 0.470 92 A N 0.482 123.231 122.820 -0.118 0.000 2.067 92 A HA 0.442 4.762 4.320 0.000 0.000 0.217 92 A C 0.496 177.627 177.584 -0.753 0.000 1.156 92 A CA 0.137 51.938 52.037 -0.394 0.000 0.683 92 A CB -0.382 18.386 19.000 -0.386 0.000 0.808 92 A HN 0.546 nan 8.150 nan 0.000 0.455 93 F N -0.260 119.658 119.950 -0.052 0.000 2.769 93 F HA 0.346 4.873 4.527 0.000 0.000 0.358 93 F C -2.822 173.118 175.800 0.234 0.000 1.285 93 F CA -2.602 55.404 58.000 0.011 0.000 1.199 93 F CB 1.142 40.099 39.000 -0.071 0.000 1.558 93 F HN -0.097 nan 8.300 nan 0.000 0.583 94 P HA 0.203 nan 4.420 nan 0.000 0.265 94 P C 0.962 178.373 177.300 0.184 0.000 1.193 94 P CA 1.222 64.436 63.100 0.191 0.000 0.765 94 P CB 0.932 32.702 31.700 0.116 0.000 0.823 95 G N 1.924 110.755 108.800 0.051 0.000 2.284 95 G HA2 -0.318 3.642 3.960 0.000 0.000 0.230 95 G HA3 -0.318 3.642 3.960 0.000 0.000 0.230 95 G C 0.733 175.632 174.900 -0.002 0.000 1.021 95 G CA 0.293 45.363 45.100 -0.051 0.000 0.619 95 G HN 0.533 nan 8.290 nan 0.000 0.510 96 L N 1.276 122.586 121.223 0.145 0.000 2.027 96 L HA 0.484 4.824 4.340 0.000 0.000 0.206 96 L C 1.441 178.345 176.870 0.057 0.000 1.074 96 L CA 2.598 57.534 54.840 0.159 0.000 0.745 96 L CB -0.005 42.208 42.059 0.257 0.000 0.898 96 L HN 1.141 nan 8.230 nan 0.000 0.433 97 V N -5.316 114.597 119.914 -0.001 0.000 3.049 97 V HA 0.609 4.729 4.120 0.000 0.000 0.309 97 V C -2.743 173.318 176.094 -0.056 0.000 1.148 97 V CA -2.170 60.105 62.300 -0.042 0.000 0.990 97 V CB 0.989 32.738 31.823 -0.123 0.000 1.039 97 V HN -0.063 nan 8.190 nan 0.000 0.430 98 P HA 0.233 nan 4.420 nan 0.000 0.265 98 P C 0.275 177.543 177.300 -0.055 0.000 1.193 98 P CA 0.421 63.457 63.100 -0.107 0.000 0.765 98 P CB 0.225 31.872 31.700 -0.088 0.000 0.823 99 T N -0.204 114.315 114.554 -0.058 0.000 2.868 99 T HA 0.077 4.427 4.350 0.000 0.000 0.292 99 T C 1.269 175.964 174.700 -0.008 0.000 1.028 99 T CA -0.383 61.701 62.100 -0.027 0.000 1.059 99 T CB 0.439 69.291 68.868 -0.026 0.000 0.991 99 T HN 0.377 nan 8.240 nan 0.000 0.531 100 Q N 0.051 119.854 119.800 0.005 0.000 2.152 100 Q HA -0.252 4.088 4.340 0.000 0.000 0.206 100 Q C 2.340 178.350 176.000 0.018 0.000 0.985 100 Q CA 1.832 57.646 55.803 0.017 0.000 0.863 100 Q CB -0.292 28.457 28.738 0.017 0.000 0.904 100 Q HN 0.783 nan 8.270 nan 0.000 0.422 101 Q N 1.247 121.053 119.800 0.010 0.000 2.020 101 Q HA -0.205 4.135 4.340 0.000 0.000 0.202 101 Q C 1.868 177.880 176.000 0.020 0.000 0.982 101 Q CA 1.966 57.777 55.803 0.012 0.000 0.838 101 Q CB -0.141 28.600 28.738 0.005 0.000 0.899 101 Q HN 0.461 nan 8.270 nan 0.000 0.423 102 Q N -0.413 119.391 119.800 0.007 0.000 2.170 102 Q HA -0.112 4.228 4.340 0.000 0.000 0.203 102 Q C 2.160 178.207 176.000 0.078 0.000 0.976 102 Q CA 1.418 57.234 55.803 0.022 0.000 0.858 102 Q CB -0.120 28.567 28.738 -0.084 0.000 0.907 102 Q HN 0.370 nan 8.270 nan 0.000 0.433 103 L N 0.010 121.268 121.223 0.058 0.000 2.240 103 L HA -0.044 4.296 4.340 0.000 0.000 0.211 103 L C 2.442 179.352 176.870 0.067 0.000 1.106 103 L CA 0.561 55.448 54.840 0.079 0.000 0.793 103 L CB -0.405 41.695 42.059 0.067 0.000 0.927 103 L HN 0.182 nan 8.230 nan 0.000 0.446 104 A N -0.197 122.653 122.820 0.049 0.000 1.902 104 A HA -0.147 4.173 4.320 0.000 0.000 0.217 104 A C 2.323 179.930 177.584 0.039 0.000 1.181 104 A CA 1.744 53.804 52.037 0.038 0.000 0.623 104 A CB -0.754 18.263 19.000 0.028 0.000 0.818 104 A HN 0.177 nan 8.150 nan 0.000 0.443 105 V N 0.237 120.180 119.914 0.048 0.000 2.343 105 V HA -0.224 3.896 4.120 0.000 0.000 0.247 105 V C 2.565 178.687 176.094 0.046 0.000 1.051 105 V CA 2.097 64.425 62.300 0.047 0.000 1.036 105 V CB -0.721 31.138 31.823 0.060 0.000 0.654 105 V HN 0.525 nan 8.190 nan 0.000 0.451 106 E N 0.411 120.652 120.200 0.068 0.000 2.051 106 E HA -0.201 4.149 4.350 0.000 0.000 0.192 106 E C 2.394 179.022 176.600 0.046 0.000 0.991 106 E CA 1.211 57.647 56.400 0.060 0.000 0.799 106 E CB -0.284 29.475 29.700 0.098 0.000 0.748 106 E HN 0.566 nan 8.360 nan 0.000 0.449 107 R N 0.411 120.940 120.500 0.047 0.000 2.241 107 R HA 0.006 4.346 4.340 0.000 0.000 0.224 107 R C 2.055 178.358 176.300 0.005 0.000 1.101 107 R CA 0.796 56.913 56.100 0.028 0.000 0.995 107 R CB -0.008 30.310 30.300 0.030 0.000 0.870 107 R HN -0.046 nan 8.270 nan 0.000 0.463 108 S N 0.211 115.915 115.700 0.007 0.000 2.593 108 S HA 0.170 4.640 4.470 0.000 0.000 0.217 108 S C 0.395 174.989 174.600 -0.009 0.000 0.966 108 S CA 0.215 58.412 58.200 -0.004 0.000 0.914 108 S CB 0.203 63.404 63.200 0.003 0.000 0.776 108 S HN 0.113 nan 8.310 nan 0.000 0.523 109 L N 2.688 123.906 121.223 -0.008 0.000 2.334 109 L HA 0.483 4.823 4.340 0.000 0.000 0.273 109 L C -2.403 174.451 176.870 -0.026 0.000 1.013 109 L CA -2.664 52.164 54.840 -0.020 0.000 0.816 109 L CB 1.534 43.577 42.059 -0.028 0.000 1.278 109 L HN -0.117 nan 8.230 nan 0.000 0.431 110 P HA 0.038 nan 4.420 nan 0.000 0.272 110 P C -0.148 177.128 177.300 -0.040 0.000 1.223 110 P CA -0.370 62.711 63.100 -0.032 0.000 0.784 110 P CB 0.908 32.594 31.700 -0.024 0.000 0.923 111 Q N 2.159 121.935 119.800 -0.041 0.000 2.118 111 Q HA -0.247 4.093 4.340 0.000 0.000 0.211 111 Q C 2.109 178.094 176.000 -0.025 0.000 0.998 111 Q CA 2.661 58.435 55.803 -0.048 0.000 0.872 111 Q CB -1.271 27.406 28.738 -0.102 0.000 0.925 111 Q HN 0.657 nan 8.270 nan 0.000 0.414 112 A N 0.207 123.011 122.820 -0.026 0.000 2.139 112 A HA -0.052 4.268 4.320 0.000 0.000 0.221 112 A C 1.886 179.372 177.584 -0.164 0.000 1.159 112 A CA 1.759 53.789 52.037 -0.010 0.000 0.662 112 A CB -0.255 18.757 19.000 0.020 0.000 0.796 112 A HN 0.355 nan 8.150 nan 0.000 0.463 113 A N -1.165 121.488 122.820 -0.279 0.000 2.470 113 A HA 0.327 4.647 4.320 0.000 0.000 0.251 113 A C 0.710 177.971 177.584 -0.538 0.000 1.245 113 A CA -0.346 51.293 52.037 -0.664 0.000 0.932 113 A CB 0.133 18.954 19.000 -0.298 0.000 1.037 113 A HN 0.409 nan 8.150 nan 0.000 0.522 114 K N 0.457 120.714 120.400 -0.239 0.000 2.168 114 K HA 0.198 4.518 4.320 0.000 0.000 0.258 114 K C 0.093 176.581 176.600 -0.186 0.000 1.010 114 K CA -0.367 55.847 56.287 -0.121 0.000 0.929 114 K CB 0.661 33.221 32.500 0.100 0.000 0.998 114 K HN 0.024 nan 8.250 nan 0.000 0.479 115 E N 0.283 120.308 120.200 -0.291 0.000 2.435 115 E HA 0.003 4.353 4.350 0.000 0.000 0.195 115 E C 0.762 176.946 176.600 -0.692 0.000 1.029 115 E CA 0.473 56.630 56.400 -0.404 0.000 0.865 115 E CB 0.136 29.503 29.700 -0.554 0.000 0.833 115 E HN 1.005 nan 8.360 nan 0.000 0.510 116 G N 1.203 109.529 108.800 -0.791 0.000 2.149 116 G HA2 -0.326 3.634 3.960 0.000 0.000 0.235 116 G HA3 -0.326 3.634 3.960 0.000 0.000 0.235 116 G C 0.540 174.996 174.900 -0.740 0.000 1.018 116 G CA 0.579 44.906 45.100 -1.288 0.000 0.728 116 G HN 0.469 nan 8.290 nan 0.000 0.508 117 H N -0.359 118.480 119.070 -0.385 0.000 2.457 117 H HA -0.045 4.511 4.556 0.000 0.000 0.297 117 H C 2.467 177.723 175.328 -0.120 0.000 1.092 117 H CA 1.480 57.410 56.048 -0.195 0.000 1.309 117 H CB 0.209 29.919 29.762 -0.086 0.000 1.382 117 H HN 0.631 nan 8.280 nan 0.000 0.535 118 E N 0.595 120.811 120.200 0.026 0.000 2.160 118 E HA -0.175 4.175 4.350 0.000 0.000 0.195 118 E C 2.007 178.653 176.600 0.076 0.000 0.991 118 E CA 0.781 57.249 56.400 0.114 0.000 0.810 118 E CB -0.022 29.835 29.700 0.262 0.000 0.742 118 E HN 0.556 nan 8.360 nan 0.000 0.466 119 I N 1.713 122.269 120.570 -0.024 0.000 2.315 119 I HA -0.299 3.871 4.170 0.000 0.000 0.251 119 I C 1.634 177.766 176.117 0.025 0.000 1.125 119 I CA 1.036 62.326 61.300 -0.016 0.000 1.392 119 I CB -0.317 37.616 38.000 -0.113 0.000 1.065 119 I HN 0.065 nan 8.210 nan 0.000 0.424 120 D N 0.473 120.894 120.400 0.036 0.000 2.178 120 D HA -0.165 4.475 4.640 0.000 0.000 0.202 120 D C 2.227 178.605 176.300 0.130 0.000 0.974 120 D CA 1.050 55.095 54.000 0.076 0.000 0.841 120 D CB -0.224 40.613 40.800 0.062 0.000 0.953 120 D HN 0.479 nan 8.370 nan 0.000 0.478 121 Q N 0.064 119.941 119.800 0.129 0.000 2.172 121 Q HA -0.003 4.337 4.340 0.000 0.000 0.200 121 Q C 2.238 178.358 176.000 0.200 0.000 0.964 121 Q CA 1.140 57.057 55.803 0.191 0.000 0.855 121 Q CB -0.121 28.711 28.738 0.157 0.000 0.918 121 Q HN 0.261 nan 8.270 nan 0.000 0.444 122 G N 1.222 110.096 108.800 0.123 0.000 2.402 122 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 122 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 122 G C 1.429 176.370 174.900 0.068 0.000 1.162 122 G CA 0.400 45.543 45.100 0.072 0.000 0.777 122 G HN 0.200 nan 8.290 nan 0.000 0.539 123 I N -0.287 120.337 120.570 0.090 0.000 2.226 123 I HA -0.130 4.040 4.170 0.000 0.000 0.245 123 I C 2.407 178.599 176.117 0.126 0.000 1.100 123 I CA 0.984 62.338 61.300 0.089 0.000 1.374 123 I CB -0.239 37.825 38.000 0.107 0.000 1.057 123 I HN 0.183 nan 8.210 nan 0.000 0.413 124 F N 1.715 121.693 119.950 0.046 0.000 2.051 124 F HA -0.181 4.346 4.527 0.000 0.000 0.296 124 F C 2.202 178.028 175.800 0.044 0.000 1.122 124 F CA 1.671 59.704 58.000 0.055 0.000 1.201 124 F CB -0.453 38.592 39.000 0.075 0.000 0.978 124 F HN -0.145 nan 8.300 nan 0.000 0.472 125 L N 0.217 121.390 121.223 -0.083 0.000 2.191 125 L HA -0.194 4.146 4.340 0.000 0.000 0.212 125 L C 2.675 179.441 176.870 -0.174 0.000 1.103 125 L CA 1.417 56.153 54.840 -0.173 0.000 0.769 125 L CB -0.713 41.362 42.059 0.026 0.000 0.908 125 L HN 0.198 nan 8.230 nan 0.000 0.438 126 R N 0.589 121.019 120.500 -0.116 0.000 2.062 126 R HA -0.141 4.199 4.340 0.000 0.000 0.229 126 R C 2.394 178.604 176.300 -0.150 0.000 1.128 126 R CA 1.380 57.415 56.100 -0.109 0.000 0.960 126 R CB -0.242 30.015 30.300 -0.071 0.000 0.855 126 R HN 0.274 nan 8.270 nan 0.000 0.432 127 A N 0.634 123.354 122.820 -0.168 0.000 1.902 127 A HA -0.102 4.218 4.320 0.000 0.000 0.217 127 A C 2.287 179.717 177.584 -0.256 0.000 1.181 127 A CA 1.685 53.612 52.037 -0.182 0.000 0.623 127 A CB -0.633 18.275 19.000 -0.152 0.000 0.818 127 A HN 0.236 nan 8.150 nan 0.000 0.443 128 V N 0.138 119.822 119.914 -0.383 0.000 2.233 128 V HA -0.287 3.833 4.120 0.000 0.000 0.247 128 V C 2.548 178.453 176.094 -0.315 0.000 1.050 128 V CA 2.112 64.159 62.300 -0.421 0.000 1.010 128 V CB -0.900 30.616 31.823 -0.513 0.000 0.637 128 V HN 0.583 nan 8.190 nan 0.000 0.444 129 L N -0.613 120.467 121.223 -0.238 0.000 2.187 129 L HA -0.191 4.149 4.340 0.000 0.000 0.213 129 L C 2.697 179.479 176.870 -0.148 0.000 1.100 129 L CA 1.470 56.208 54.840 -0.170 0.000 0.765 129 L CB -0.537 41.439 42.059 -0.138 0.000 0.904 129 L HN 0.262 nan 8.230 nan 0.000 0.437 130 R N -0.642 119.768 120.500 -0.150 0.000 2.235 130 R HA -0.033 4.307 4.340 0.000 0.000 0.213 130 R C 1.163 177.393 176.300 -0.117 0.000 1.059 130 R CA 0.250 56.279 56.100 -0.119 0.000 0.997 130 R CB -0.061 30.173 30.300 -0.111 0.000 0.884 130 R HN 0.146 nan 8.270 nan 0.000 0.462 131 S N 1.519 117.128 115.700 -0.153 0.000 2.505 131 S HA 0.131 4.601 4.470 0.000 0.000 0.276 131 S C -1.515 173.017 174.600 -0.113 0.000 1.274 131 S CA -1.653 56.461 58.200 -0.144 0.000 1.053 131 S CB 1.120 64.203 63.200 -0.195 0.000 0.919 131 S HN 0.014 nan 8.310 nan 0.000 0.490 132 P HA -0.048 nan 4.420 nan 0.000 0.231 132 P C 1.013 178.290 177.300 -0.039 0.000 1.158 132 P CA 0.771 63.844 63.100 -0.046 0.000 0.763 132 P CB 0.159 31.840 31.700 -0.032 0.000 0.805 133 L N -1.135 120.046 121.223 -0.069 0.000 2.347 133 L HA 0.198 4.538 4.340 0.000 0.000 0.196 133 L C 2.666 179.472 176.870 -0.106 0.000 1.072 133 L CA 1.018 55.824 54.840 -0.057 0.000 0.817 133 L CB -0.954 41.071 42.059 -0.056 0.000 1.029 133 L HN -0.147 nan 8.230 nan 0.000 0.478 134 A N 0.357 123.013 122.820 -0.273 0.000 1.898 134 A HA 0.026 4.346 4.320 0.000 0.000 0.214 134 A C 2.277 179.624 177.584 -0.396 0.000 1.183 134 A CA 1.310 52.975 52.037 -0.620 0.000 0.622 134 A CB -1.128 17.189 19.000 -1.138 0.000 0.824 134 A HN 0.387 nan 8.150 nan 0.000 0.444 135 G N 0.610 109.260 108.800 -0.250 0.000 2.491 135 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 135 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 135 G C -0.272 174.617 174.900 -0.017 0.000 1.180 135 G CA 1.445 46.467 45.100 -0.131 0.000 0.774 135 G HN 0.483 nan 8.290 nan 0.000 0.562 136 P HA -0.116 nan 4.420 nan 0.000 0.216 136 P C 1.629 179.001 177.300 0.120 0.000 1.150 136 P CA 1.250 64.395 63.100 0.075 0.000 0.837 136 P CB -0.142 31.600 31.700 0.070 0.000 0.786 137 H N -0.299 118.817 119.070 0.077 0.000 2.389 137 H HA -0.078 4.478 4.556 0.000 0.000 0.299 137 H C 1.766 177.247 175.328 0.255 0.000 1.081 137 H CA 1.163 57.340 56.048 0.214 0.000 1.345 137 H CB -0.517 29.386 29.762 0.235 0.000 1.393 137 H HN -0.028 nan 8.280 nan 0.000 0.520 138 L N 0.850 122.234 121.223 0.269 0.000 2.109 138 L HA -0.074 4.266 4.340 0.000 0.000 0.207 138 L C 2.415 179.349 176.870 0.107 0.000 1.086 138 L CA 1.106 56.091 54.840 0.242 0.000 0.760 138 L CB -0.767 41.406 42.059 0.190 0.000 0.910 138 L HN 0.211 nan 8.230 nan 0.000 0.437 139 L N -0.624 120.653 121.223 0.090 0.000 2.017 139 L HA -0.207 4.133 4.340 0.000 0.000 0.208 139 L C 2.261 179.152 176.870 0.035 0.000 1.073 139 L CA 1.427 56.336 54.840 0.115 0.000 0.745 139 L CB -0.874 41.293 42.059 0.180 0.000 0.894 139 L HN 0.254 nan 8.230 nan 0.000 0.432 140 D N 0.140 120.508 120.400 -0.053 0.000 2.149 140 D HA -0.160 4.480 4.640 0.000 0.000 0.198 140 D C 2.191 178.264 176.300 -0.379 0.000 0.990 140 D CA 1.426 55.308 54.000 -0.197 0.000 0.839 140 D CB -0.020 40.649 40.800 -0.218 0.000 0.948 140 D HN 0.325 nan 8.370 nan 0.000 0.460 141 A N 0.900 123.482 122.820 -0.397 0.000 1.877 141 A HA -0.172 4.148 4.320 0.000 0.000 0.216 141 A C 2.082 179.596 177.584 -0.117 0.000 1.186 141 A CA 1.376 53.219 52.037 -0.325 0.000 0.620 141 A CB -0.402 18.583 19.000 -0.024 0.000 0.822 141 A HN 0.094 nan 8.150 nan 0.000 0.443 142 M N -0.404 119.180 119.600 -0.027 0.000 2.460 142 M HA 0.049 4.529 4.480 0.000 0.000 0.263 142 M C 1.719 178.018 176.300 -0.001 0.000 1.071 142 M CA 0.906 56.219 55.300 0.021 0.000 1.096 142 M CB -1.178 31.465 32.600 0.072 0.000 1.408 142 M HN 0.376 nan 8.290 nan 0.000 0.463 143 L N -0.910 120.287 121.223 -0.045 0.000 2.492 143 L HA 0.002 4.342 4.340 0.000 0.000 0.223 143 L C 1.017 177.849 176.870 -0.063 0.000 1.132 143 L CA 0.016 54.815 54.840 -0.068 0.000 0.850 143 L CB -0.184 41.806 42.059 -0.116 0.000 0.966 143 L HN 0.189 nan 8.230 nan 0.000 0.454 144 R N 1.278 121.735 120.500 -0.071 0.000 2.641 144 R HA 0.166 4.506 4.340 0.000 0.000 0.269 144 R C -2.126 174.170 176.300 -0.006 0.000 1.074 144 R CA -1.697 54.380 56.100 -0.038 0.000 1.133 144 R CB -0.109 30.163 30.300 -0.047 0.000 1.029 144 R HN -0.114 nan 8.270 nan 0.000 0.488 145 P HA -0.067 nan 4.420 nan 0.000 0.271 145 P C -0.179 177.133 177.300 0.020 0.000 1.216 145 P CA 0.025 63.136 63.100 0.018 0.000 0.771 145 P CB 0.732 32.448 31.700 0.026 0.000 0.864 146 T N 3.925 118.490 114.554 0.019 0.000 2.940 146 T HA 0.083 4.433 4.350 0.000 0.000 0.309 146 T C -1.436 173.276 174.700 0.021 0.000 1.056 146 T CA -1.102 61.010 62.100 0.020 0.000 1.137 146 T CB -0.231 68.645 68.868 0.013 0.000 0.976 146 T HN 0.263 nan 8.240 nan 0.000 0.547 147 P HA -0.003 nan 4.420 nan 0.000 0.218 147 P C 1.473 178.785 177.300 0.019 0.000 1.149 147 P CA 0.699 63.814 63.100 0.024 0.000 0.817 147 P CB 0.090 31.806 31.700 0.028 0.000 0.785 148 R N 0.000 120.509 120.500 0.015 0.000 2.115 148 R HA -0.069 4.271 4.340 0.000 0.000 0.230 148 R C 1.939 178.241 176.300 0.002 0.000 1.111 148 R CA 1.472 57.577 56.100 0.008 0.000 0.976 148 R CB -0.633 29.668 30.300 0.003 0.000 0.870 148 R HN 0.069 nan 8.270 nan 0.000 0.445 149 A N 0.810 123.630 122.820 -0.000 0.000 1.968 149 A HA -0.039 4.281 4.320 0.000 0.000 0.217 149 A C 2.098 179.691 177.584 0.015 0.000 1.169 149 A CA 0.758 52.791 52.037 -0.006 0.000 0.638 149 A CB -0.299 18.697 19.000 -0.008 0.000 0.812 149 A HN 0.320 nan 8.150 nan 0.000 0.446 150 L N -0.881 120.355 121.223 0.021 0.000 2.141 150 L HA -0.149 4.191 4.340 0.000 0.000 0.209 150 L C 2.575 179.463 176.870 0.030 0.000 1.094 150 L CA 1.498 56.355 54.840 0.029 0.000 0.763 150 L CB -0.372 41.703 42.059 0.026 0.000 0.908 150 L HN 0.536 nan 8.230 nan 0.000 0.437 151 E N 0.617 120.833 120.200 0.026 0.000 2.046 151 E HA -0.163 4.187 4.350 0.000 0.000 0.190 151 E C 2.237 178.858 176.600 0.034 0.000 0.982 151 E CA 0.871 57.288 56.400 0.027 0.000 0.800 151 E CB 0.069 29.782 29.700 0.022 0.000 0.756 151 E HN 0.465 nan 8.360 nan 0.000 0.449 152 L N 1.041 122.284 121.223 0.033 0.000 2.478 152 L HA -0.089 4.251 4.340 0.000 0.000 0.223 152 L C 2.399 179.324 176.870 0.092 0.000 1.140 152 L CA -0.235 54.635 54.840 0.049 0.000 0.842 152 L CB -0.221 41.849 42.059 0.018 0.000 0.953 152 L HN 0.222 nan 8.230 nan 0.000 0.452 153 L N 1.691 122.965 121.223 0.086 0.000 2.013 153 L HA -0.119 4.222 4.340 0.000 0.000 0.212 153 L C -0.214 176.731 176.870 0.125 0.000 1.073 153 L CA 2.268 57.184 54.840 0.128 0.000 0.753 153 L CB -1.484 40.629 42.059 0.090 0.000 0.890 153 L HN 0.113 nan 8.230 nan 0.000 0.432 154 P HA -0.170 nan 4.420 nan 0.000 0.216 154 P C 1.260 178.594 177.300 0.056 0.000 1.153 154 P CA 1.300 64.432 63.100 0.054 0.000 0.848 154 P CB -0.069 31.653 31.700 0.036 0.000 0.787 155 E N -1.147 119.099 120.200 0.077 0.000 2.204 155 E HA -0.111 4.239 4.350 0.000 0.000 0.194 155 E C 1.794 178.465 176.600 0.118 0.000 0.989 155 E CA 0.580 57.027 56.400 0.078 0.000 0.824 155 E CB -0.714 29.033 29.700 0.079 0.000 0.756 155 E HN 0.234 nan 8.360 nan 0.000 0.477 156 F N 0.774 120.723 119.950 -0.001 0.000 2.187 156 F HA -0.108 4.418 4.527 -0.000 0.000 0.295 156 F C 2.115 177.910 175.800 -0.008 0.000 1.091 156 F CA 0.649 58.645 58.000 -0.007 0.000 1.308 156 F CB -0.363 38.632 39.000 -0.009 0.000 1.030 156 F HN -0.228 nan 8.300 nan 0.000 0.487 157 V N 0.971 120.812 119.914 -0.121 0.000 2.568 157 V HA -0.272 3.848 4.120 0.000 0.000 0.253 157 V C 2.596 178.574 176.094 -0.193 0.000 1.072 157 V CA 2.259 64.433 62.300 -0.210 0.000 1.084 157 V CB -0.754 31.031 31.823 -0.063 0.000 0.676 157 V HN 0.329 nan 8.190 nan 0.000 0.469 158 R N -0.694 119.736 120.500 -0.116 0.000 2.075 158 R HA -0.062 4.278 4.340 0.000 0.000 0.220 158 R C 2.283 178.528 176.300 -0.092 0.000 1.118 158 R CA 1.566 57.616 56.100 -0.082 0.000 0.986 158 R CB -0.149 30.131 30.300 -0.033 0.000 0.884 158 R HN 0.474 nan 8.270 nan 0.000 0.439 159 T N -0.999 113.509 114.554 -0.076 0.000 2.937 159 T HA 0.122 4.472 4.350 0.000 0.000 0.260 159 T C 1.093 175.735 174.700 -0.097 0.000 1.051 159 T CA 0.989 63.062 62.100 -0.046 0.000 1.141 159 T CB 0.127 69.012 68.868 0.028 0.000 0.879 159 T HN 0.571 nan 8.240 nan 0.000 0.459 160 G N 1.634 110.278 108.800 -0.260 0.000 2.148 160 G HA2 -0.236 3.724 3.960 0.000 0.000 0.254 160 G HA3 -0.236 3.724 3.960 0.000 0.000 0.254 160 G C -0.074 174.845 174.900 0.032 0.000 0.981 160 G CA 0.450 45.319 45.100 -0.383 0.000 0.670 160 G HN 0.594 nan 8.290 nan 0.000 0.528 161 E N -0.953 119.367 120.200 0.200 0.000 2.321 161 E HA 0.605 4.955 4.350 0.000 0.000 0.278 161 E C -1.214 175.525 176.600 0.231 0.000 0.902 161 E CA -0.819 55.717 56.400 0.227 0.000 0.758 161 E CB 2.488 32.279 29.700 0.152 0.000 1.213 161 E HN 0.376 nan 8.360 nan 0.000 0.426 162 V N 3.401 123.374 119.914 0.097 0.000 2.577 162 V HA 0.257 4.377 4.120 0.000 0.000 0.294 162 V C -0.791 175.318 176.094 0.025 0.000 1.052 162 V CA -0.840 61.483 62.300 0.038 0.000 0.891 162 V CB 1.655 33.428 31.823 -0.083 0.000 1.017 162 V HN 0.675 nan 8.190 nan 0.000 0.436 163 E N 4.877 125.137 120.200 0.100 0.000 2.227 163 E HA 0.702 5.052 4.350 0.000 0.000 0.282 163 E C -0.733 175.904 176.600 0.062 0.000 1.015 163 E CA -0.347 56.140 56.400 0.145 0.000 0.823 163 E CB 1.927 31.712 29.700 0.142 0.000 1.081 163 E HN 0.563 nan 8.360 nan 0.000 0.396 164 M N 1.119 120.748 119.600 0.048 0.000 2.719 164 M HA 0.159 4.639 4.480 0.000 0.000 0.291 164 M C 1.081 177.393 176.300 0.020 0.000 1.264 164 M CA -0.567 54.741 55.300 0.014 0.000 0.811 164 M CB 1.777 34.365 32.600 -0.020 0.000 1.756 164 M HN 0.513 nan 8.290 nan 0.000 0.464 165 E N 0.698 120.905 120.200 0.011 0.000 2.106 165 E HA -0.101 4.249 4.350 0.000 0.000 0.192 165 E C 1.143 177.748 176.600 0.008 0.000 0.984 165 E CA 1.950 58.359 56.400 0.015 0.000 0.806 165 E CB 0.210 29.923 29.700 0.021 0.000 0.750 165 E HN 0.708 nan 8.360 nan 0.000 0.458 166 A N 0.039 122.855 122.820 -0.008 0.000 2.324 166 A HA 0.337 4.657 4.320 0.000 0.000 0.220 166 A C -0.003 177.559 177.584 -0.037 0.000 1.209 166 A CA -0.211 51.811 52.037 -0.025 0.000 0.918 166 A CB 1.032 20.011 19.000 -0.035 0.000 0.959 166 A HN 0.087 nan 8.150 nan 0.000 0.507 167 V N 0.419 120.317 119.914 -0.025 0.000 2.925 167 V HA 0.339 4.459 4.120 0.000 0.000 0.311 167 V C -1.051 175.066 176.094 0.038 0.000 1.104 167 V CA -0.756 61.532 62.300 -0.020 0.000 0.954 167 V CB 1.985 33.762 31.823 -0.076 0.000 1.022 167 V HN 0.493 nan 8.190 nan 0.000 0.427 168 H N 4.338 123.388 119.070 -0.034 0.000 2.587 168 H HA 0.624 5.180 4.556 0.000 0.000 0.325 168 H C -1.822 173.504 175.328 -0.003 0.000 1.012 168 H CA -0.647 55.393 56.048 -0.013 0.000 1.213 168 H CB 1.925 31.687 29.762 0.001 0.000 1.431 168 H HN 0.534 nan 8.280 nan 0.000 0.492 169 L N 4.988 125.920 121.223 -0.485 0.000 2.317 169 L HA 0.395 4.735 4.340 0.000 0.000 0.281 169 L C -0.779 175.860 176.870 -0.385 0.000 1.024 169 L CA -0.235 54.381 54.840 -0.374 0.000 0.810 169 L CB 1.512 43.356 42.059 -0.358 0.000 1.240 169 L HN 0.823 nan 8.230 nan 0.000 0.427 170 E N 4.704 124.822 120.200 -0.137 0.000 2.291 170 E HA 0.324 4.674 4.350 0.000 0.000 0.276 170 E C -1.449 175.234 176.600 0.139 0.000 0.896 170 E CA -0.844 55.577 56.400 0.034 0.000 0.774 170 E CB 1.450 31.147 29.700 -0.006 0.000 1.227 170 E HN 0.709 nan 8.360 nan 0.000 0.413 171 R N 3.606 124.194 120.500 0.146 0.000 2.357 171 R HA 0.476 4.816 4.340 0.000 0.000 0.296 171 R C -0.732 175.563 176.300 -0.008 0.000 1.052 171 R CA -0.298 55.826 56.100 0.040 0.000 0.988 171 R CB 0.969 31.165 30.300 -0.173 0.000 1.025 171 R HN 0.624 nan 8.270 nan 0.000 0.469 172 R N 3.056 123.551 120.500 -0.008 0.000 2.647 172 R HA 0.094 4.434 4.340 0.000 0.000 0.260 172 R C -1.419 174.871 176.300 -0.016 0.000 1.154 172 R CA -0.363 55.730 56.100 -0.010 0.000 1.029 172 R CB 0.905 31.212 30.300 0.012 0.000 1.262 172 R HN 0.842 nan 8.270 nan 0.000 0.437 173 D N 3.167 123.554 120.400 -0.022 0.000 2.751 173 D HA -0.182 4.458 4.640 0.000 0.000 0.233 173 D C 0.789 177.070 176.300 -0.031 0.000 1.149 173 D CA 2.303 56.289 54.000 -0.022 0.000 0.682 173 D CB -1.108 39.684 40.800 -0.014 0.000 1.068 173 D HN 1.092 nan 8.370 nan 0.000 0.429 174 G N -2.418 106.358 108.800 -0.039 0.000 2.162 174 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 174 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 174 G C 0.311 175.176 174.900 -0.059 0.000 0.976 174 G CA 0.310 45.381 45.100 -0.049 0.000 0.655 174 G HN 0.683 nan 8.290 nan 0.000 0.533 175 V N 0.659 120.544 119.914 -0.048 0.000 2.435 175 V HA 0.766 4.886 4.120 0.000 0.000 0.290 175 V C 0.647 176.719 176.094 -0.037 0.000 1.030 175 V CA -0.324 61.939 62.300 -0.061 0.000 0.881 175 V CB 1.750 33.550 31.823 -0.039 0.000 0.983 175 V HN 1.068 nan 8.190 nan 0.000 0.445 176 A N 5.801 128.569 122.820 -0.087 0.000 2.391 176 A HA 0.495 4.815 4.320 0.000 0.000 0.316 176 A C 0.353 177.932 177.584 -0.007 0.000 1.381 176 A CA -0.415 51.608 52.037 -0.023 0.000 0.998 176 A CB -0.207 18.737 19.000 -0.093 0.000 1.147 176 A HN 0.824 nan 8.150 nan 0.000 0.545 177 R N 2.485 123.009 120.500 0.041 0.000 2.235 177 R HA 0.343 4.683 4.340 0.000 0.000 0.338 177 R C -1.296 175.039 176.300 0.058 0.000 1.087 177 R CA -0.459 55.677 56.100 0.060 0.000 0.948 177 R CB 0.472 30.810 30.300 0.062 0.000 1.099 177 R HN 0.509 nan 8.270 nan 0.000 0.483 178 L N 2.489 123.783 121.223 0.117 0.000 2.275 178 L HA 0.303 4.643 4.340 0.000 0.000 0.288 178 L C 0.258 177.178 176.870 0.083 0.000 1.046 178 L CA 0.266 55.160 54.840 0.089 0.000 0.805 178 L CB 1.836 43.989 42.059 0.158 0.000 1.193 178 L HN 0.461 nan 8.230 nan 0.000 0.426 179 T N 4.392 118.984 114.554 0.063 0.000 2.791 179 T HA 0.498 4.848 4.350 0.000 0.000 0.288 179 T C 0.110 174.812 174.700 0.004 0.000 0.999 179 T CA -0.493 61.642 62.100 0.059 0.000 0.952 179 T CB 0.822 69.766 68.868 0.127 0.000 0.938 179 T HN 0.364 nan 8.240 nan 0.000 0.444 180 M N 3.005 122.562 119.600 -0.072 0.000 2.194 180 M HA 0.216 4.696 4.480 0.000 0.000 0.347 180 M C 0.651 176.901 176.300 -0.084 0.000 1.439 180 M CA -0.435 54.794 55.300 -0.117 0.000 1.131 180 M CB -0.020 32.439 32.600 -0.235 0.000 1.733 180 M HN 0.821 nan 8.290 nan 0.000 0.467 181 C N 1.355 120.625 119.300 -0.050 0.000 2.660 181 C HA 0.402 4.862 4.460 0.000 0.000 0.265 181 C C 0.572 175.543 174.990 -0.033 0.000 1.573 181 C CA -0.946 58.050 59.018 -0.035 0.000 1.751 181 C CB -0.539 27.196 27.740 -0.009 0.000 3.033 181 C HN 0.737 nan 8.230 nan 0.000 0.511 182 R N 2.091 122.562 120.500 -0.048 0.000 4.496 182 R HA 0.088 4.428 4.340 0.000 0.000 0.211 182 R C 0.738 177.021 176.300 -0.028 0.000 1.738 182 R CA 0.468 56.548 56.100 -0.034 0.000 1.528 182 R CB -0.105 30.166 30.300 -0.048 0.000 1.414 182 R HN 0.843 nan 8.270 nan 0.000 0.812 183 D N 0.078 120.469 120.400 -0.014 0.000 2.332 183 D HA -0.244 4.396 4.640 0.000 0.000 0.209 183 D C 0.969 177.295 176.300 0.044 0.000 0.988 183 D CA 1.535 55.538 54.000 0.005 0.000 0.912 183 D CB 0.124 40.932 40.800 0.013 0.000 0.899 183 D HN 0.402 nan 8.370 nan 0.000 0.477 184 D N 0.382 120.811 120.400 0.048 0.000 2.346 184 D HA -0.114 4.526 4.640 0.000 0.000 0.206 184 D C 1.357 177.714 176.300 0.094 0.000 1.001 184 D CA 0.174 54.231 54.000 0.095 0.000 0.871 184 D CB -0.247 40.600 40.800 0.078 0.000 0.943 184 D HN 0.513 nan 8.370 nan 0.000 0.518 185 R N 0.469 120.983 120.500 0.023 0.000 2.642 185 R HA 0.258 4.598 4.340 0.000 0.000 0.435 185 R C -0.222 176.044 176.300 -0.058 0.000 1.046 185 R CA -0.670 55.425 56.100 -0.008 0.000 1.103 185 R CB -0.186 30.098 30.300 -0.027 0.000 1.425 185 R HN -0.206 nan 8.270 nan 0.000 0.586 186 L N 1.761 122.930 121.223 -0.089 0.000 3.739 186 L HA -0.278 4.062 4.340 0.000 0.000 0.442 186 L C -0.593 176.210 176.870 -0.112 0.000 1.241 186 L CA 0.802 55.558 54.840 -0.141 0.000 0.819 186 L CB -2.253 39.728 42.059 -0.131 0.000 1.679 186 L HN 0.669 nan 8.230 nan 0.000 0.889 187 N N -2.424 116.209 118.700 -0.112 0.000 2.716 187 N HA -0.212 4.528 4.740 0.000 0.000 0.250 187 N C 0.770 176.217 175.510 -0.105 0.000 1.033 187 N CA 1.184 54.162 53.050 -0.121 0.000 0.727 187 N CB -0.493 37.887 38.487 -0.179 0.000 0.950 187 N HN 0.821 nan 8.380 nan 0.000 0.541 188 A N 0.394 123.151 122.820 -0.106 0.000 2.520 188 A HA 0.190 4.510 4.320 0.000 0.000 0.245 188 A C 0.697 178.210 177.584 -0.119 0.000 1.072 188 A CA 0.028 51.989 52.037 -0.126 0.000 0.761 188 A CB 0.366 19.258 19.000 -0.180 0.000 1.004 188 A HN 0.323 nan 8.150 nan 0.000 0.499 189 E N 1.197 121.367 120.200 -0.051 0.000 2.373 189 E HA 0.424 4.774 4.350 0.000 0.000 0.263 189 E C -0.677 175.927 176.600 0.006 0.000 1.073 189 E CA 0.010 56.463 56.400 0.088 0.000 0.894 189 E CB 0.684 30.584 29.700 0.333 0.000 1.008 189 E HN 0.811 nan 8.360 nan 0.000 0.420 190 D N -0.315 120.218 120.400 0.222 0.000 2.692 190 D HA 0.186 4.826 4.640 0.000 0.000 0.303 190 D C 0.782 177.361 176.300 0.465 0.000 1.278 190 D CA -0.551 53.523 54.000 0.123 0.000 0.852 190 D CB -0.031 40.796 40.800 0.045 0.000 1.375 190 D HN 0.333 nan 8.370 nan 0.000 0.453 191 G N -0.660 108.377 108.800 0.395 0.000 2.469 191 G HA2 -0.353 3.607 3.960 0.000 0.000 0.219 191 G HA3 -0.353 3.607 3.960 0.000 0.000 0.219 191 G C 1.265 176.294 174.900 0.214 0.000 1.150 191 G CA 1.549 46.876 45.100 0.377 0.000 0.763 191 G HN 0.502 nan 8.290 nan 0.000 0.561 192 Q N -0.001 119.897 119.800 0.164 0.000 2.124 192 Q HA -0.079 4.261 4.340 0.000 0.000 0.202 192 Q C 2.491 178.521 176.000 0.050 0.000 0.977 192 Q CA 1.737 57.596 55.803 0.093 0.000 0.850 192 Q CB -0.482 28.308 28.738 0.087 0.000 0.901 192 Q HN 0.603 nan 8.270 nan 0.000 0.429 193 Q N -0.524 119.315 119.800 0.066 0.000 2.124 193 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 193 Q C 1.877 177.826 176.000 -0.085 0.000 0.977 193 Q CA 1.606 57.406 55.803 -0.006 0.000 0.850 193 Q CB 0.042 28.795 28.738 0.025 0.000 0.901 193 Q HN 0.382 nan 8.270 nan 0.000 0.429 194 V N 1.318 121.213 119.914 -0.031 0.000 2.427 194 V HA -0.218 3.902 4.120 0.000 0.000 0.248 194 V C 1.979 177.995 176.094 -0.129 0.000 1.051 194 V CA 2.067 64.294 62.300 -0.122 0.000 1.048 194 V CB -0.568 31.195 31.823 -0.099 0.000 0.666 194 V HN 0.384 nan 8.190 nan 0.000 0.456 195 D N 0.046 120.415 120.400 -0.051 0.000 2.117 195 D HA -0.176 4.464 4.640 0.000 0.000 0.198 195 D C 1.775 178.019 176.300 -0.093 0.000 0.982 195 D CA 1.345 55.320 54.000 -0.042 0.000 0.828 195 D CB -0.064 40.737 40.800 0.001 0.000 0.967 195 D HN 0.398 nan 8.370 nan 0.000 0.464 196 D N -0.470 119.865 120.400 -0.108 0.000 2.117 196 D HA -0.130 4.510 4.640 0.000 0.000 0.198 196 D C 2.079 178.248 176.300 -0.217 0.000 0.982 196 D CA 0.630 54.552 54.000 -0.130 0.000 0.828 196 D CB -0.191 40.550 40.800 -0.100 0.000 0.967 196 D HN 0.257 nan 8.370 nan 0.000 0.464 197 M N 0.557 119.942 119.600 -0.358 0.000 2.080 197 M HA -0.135 4.345 4.480 0.000 0.000 0.260 197 M C 2.179 178.165 176.300 -0.523 0.000 1.068 197 M CA 1.251 56.185 55.300 -0.610 0.000 1.109 197 M CB -1.001 30.829 32.600 -1.283 0.000 1.342 197 M HN 0.104 nan 8.290 nan 0.000 0.405 198 E N -0.595 119.365 120.200 -0.401 0.000 2.106 198 E HA -0.147 4.203 4.350 0.000 0.000 0.192 198 E C 1.706 178.255 176.600 -0.086 0.000 0.984 198 E CA 1.713 58.041 56.400 -0.120 0.000 0.806 198 E CB 0.172 29.874 29.700 0.003 0.000 0.750 198 E HN 0.436 nan 8.360 nan 0.000 0.458 199 T N 0.528 115.018 114.554 -0.106 0.000 2.746 199 T HA -0.145 4.205 4.350 0.000 0.000 0.267 199 T C 1.850 176.484 174.700 -0.110 0.000 1.039 199 T CA 1.308 63.357 62.100 -0.086 0.000 1.142 199 T CB -0.322 68.494 68.868 -0.086 0.000 0.866 199 T HN 0.341 nan 8.240 nan 0.000 0.444 200 A N 1.037 123.773 122.820 -0.140 0.000 1.877 200 A HA -0.042 4.278 4.320 0.000 0.000 0.216 200 A C 2.604 180.168 177.584 -0.034 0.000 1.186 200 A CA 1.395 53.346 52.037 -0.142 0.000 0.620 200 A CB -1.077 17.844 19.000 -0.132 0.000 0.822 200 A HN 0.339 nan 8.150 nan 0.000 0.443 201 V N 0.779 120.690 119.914 -0.005 0.000 2.332 201 V HA -0.274 3.846 4.120 0.000 0.000 0.248 201 V C 2.210 178.380 176.094 0.125 0.000 1.055 201 V CA 2.362 64.728 62.300 0.110 0.000 1.038 201 V CB -0.873 30.932 31.823 -0.030 0.000 0.651 201 V HN 0.498 nan 8.190 nan 0.000 0.450 202 D N 0.023 120.447 120.400 0.039 0.000 2.123 202 D HA -0.135 4.505 4.640 0.000 0.000 0.196 202 D C 2.157 178.481 176.300 0.039 0.000 0.992 202 D CA 1.263 55.285 54.000 0.037 0.000 0.833 202 D CB -0.232 40.574 40.800 0.010 0.000 0.954 202 D HN 0.350 nan 8.370 nan 0.000 0.455 203 L N 0.636 121.848 121.223 -0.017 0.000 2.017 203 L HA -0.147 4.193 4.340 0.000 0.000 0.208 203 L C 2.608 179.518 176.870 0.067 0.000 1.073 203 L CA 1.158 55.974 54.840 -0.039 0.000 0.745 203 L CB -0.489 41.370 42.059 -0.333 0.000 0.894 203 L HN -0.030 nan 8.230 nan 0.000 0.432 204 A N 0.252 123.111 122.820 0.065 0.000 1.883 204 A HA -0.198 4.122 4.320 0.000 0.000 0.217 204 A C 2.222 179.876 177.584 0.117 0.000 1.186 204 A CA 1.694 53.808 52.037 0.128 0.000 0.624 204 A CB -0.797 18.298 19.000 0.158 0.000 0.822 204 A HN 0.388 nan 8.150 nan 0.000 0.444 205 L N -0.995 120.317 121.223 0.149 0.000 2.217 205 L HA -0.041 4.299 4.340 0.000 0.000 0.211 205 L C 2.189 179.107 176.870 0.079 0.000 1.107 205 L CA 0.545 55.453 54.840 0.114 0.000 0.783 205 L CB -0.266 41.874 42.059 0.135 0.000 0.919 205 L HN 0.342 nan 8.230 nan 0.000 0.442 206 L N -1.136 120.140 121.223 0.088 0.000 2.375 206 L HA 0.032 4.372 4.340 0.000 0.000 0.215 206 L C 0.569 177.490 176.870 0.085 0.000 1.108 206 L CA -0.079 54.808 54.840 0.078 0.000 0.830 206 L CB -0.129 41.976 42.059 0.076 0.000 0.959 206 L HN 0.130 nan 8.230 nan 0.000 0.457 207 D N 0.661 121.132 120.400 0.118 0.000 2.317 207 D HA 0.086 4.726 4.640 0.000 0.000 0.252 207 D C -1.740 174.584 176.300 0.040 0.000 1.174 207 D CA -2.096 51.965 54.000 0.102 0.000 0.866 207 D CB 1.587 42.500 40.800 0.188 0.000 1.127 207 D HN -0.130 nan 8.370 nan 0.000 0.467 208 P HA 0.044 nan 4.420 nan 0.000 0.223 208 P C 1.242 178.529 177.300 -0.021 0.000 1.151 208 P CA 0.643 63.741 63.100 -0.003 0.000 0.787 208 P CB 0.280 31.977 31.700 -0.004 0.000 0.788 209 G N -0.582 108.196 108.800 -0.037 0.000 2.534 209 G HA2 -0.058 3.902 3.960 0.000 0.000 0.217 209 G HA3 -0.058 3.902 3.960 0.000 0.000 0.217 209 G C 0.423 175.292 174.900 -0.051 0.000 1.128 209 G CA 0.168 45.232 45.100 -0.059 0.000 0.784 209 G HN 0.187 nan 8.290 nan 0.000 0.542 210 V N 0.498 120.394 119.914 -0.030 0.000 2.465 210 V HA 0.335 4.455 4.120 0.000 0.000 0.279 210 V C 0.991 177.046 176.094 -0.065 0.000 1.045 210 V CA -0.331 61.946 62.300 -0.039 0.000 0.938 210 V CB 1.505 33.325 31.823 -0.005 0.000 0.986 210 V HN 0.292 nan 8.190 nan 0.000 0.467 211 R N 2.832 123.279 120.500 -0.089 0.000 2.225 211 R HA 0.375 4.715 4.340 0.000 0.000 0.194 211 R C -0.512 175.698 176.300 -0.150 0.000 0.949 211 R CA 0.349 56.392 56.100 -0.095 0.000 1.088 211 R CB 0.986 31.243 30.300 -0.071 0.000 1.106 211 R HN 0.527 nan 8.270 nan 0.000 0.566 212 V N -0.044 119.754 119.914 -0.193 0.000 2.925 212 V HA 0.571 4.691 4.120 0.000 0.000 0.311 212 V C -0.254 175.586 176.094 -0.422 0.000 1.104 212 V CA -1.068 61.063 62.300 -0.282 0.000 0.954 212 V CB 1.982 33.706 31.823 -0.164 0.000 1.022 212 V HN 0.295 nan 8.190 nan 0.000 0.427 213 G N 1.701 110.041 108.800 -0.767 0.000 2.432 213 G HA2 0.734 4.694 3.960 0.000 0.000 0.331 213 G HA3 0.734 4.694 3.960 0.000 0.000 0.331 213 G C -1.734 172.988 174.900 -0.297 0.000 1.170 213 G CA -0.574 43.939 45.100 -0.977 0.000 0.943 213 G HN 0.672 nan 8.290 nan 0.000 0.483 214 L N 1.250 122.481 121.223 0.013 0.000 2.436 214 L HA 0.748 5.088 4.340 0.000 0.000 0.268 214 L C -1.521 175.561 176.870 0.353 0.000 0.974 214 L CA -0.914 54.063 54.840 0.229 0.000 0.826 214 L CB 2.147 44.271 42.059 0.109 0.000 1.291 214 L HN 0.476 nan 8.230 nan 0.000 0.406 215 L N 5.473 126.945 121.223 0.415 0.000 2.333 215 L HA 0.770 5.110 4.340 0.000 0.000 0.280 215 L C -0.843 176.168 176.870 0.236 0.000 1.004 215 L CA 0.024 55.067 54.840 0.337 0.000 0.820 215 L CB 1.247 43.574 42.059 0.447 0.000 1.247 215 L HN 0.836 nan 8.230 nan 0.000 0.416 216 R N 2.624 123.220 120.500 0.161 0.000 2.710 216 R HA 0.743 5.083 4.340 0.000 0.000 0.270 216 R C -0.838 175.479 176.300 0.028 0.000 1.021 216 R CA -0.513 55.683 56.100 0.159 0.000 0.889 216 R CB 1.806 32.178 30.300 0.118 0.000 1.243 216 R HN 0.865 nan 8.270 nan 0.000 0.464 217 G N 0.087 108.900 108.800 0.021 0.000 2.425 217 G HA2 0.517 4.477 3.960 0.000 0.000 0.302 217 G HA3 0.517 4.477 3.960 0.000 0.000 0.302 217 G C -0.438 174.440 174.900 -0.037 0.000 1.159 217 G CA -0.373 44.674 45.100 -0.089 0.000 0.865 217 G HN 0.637 nan 8.290 nan 0.000 0.515 218 G N -1.110 107.660 108.800 -0.049 0.000 2.552 218 G HA2 0.479 4.439 3.960 0.000 0.000 0.318 218 G HA3 0.479 4.439 3.960 0.000 0.000 0.318 218 G C -0.159 174.722 174.900 -0.031 0.000 1.240 218 G CA -0.590 44.496 45.100 -0.025 0.000 1.002 218 G HN 0.707 nan 8.290 nan 0.000 0.493 219 V N 1.519 121.425 119.914 -0.014 0.000 2.720 219 V HA 0.016 4.136 4.120 0.000 0.000 0.307 219 V C 0.535 176.631 176.094 0.004 0.000 1.071 219 V CA 0.260 62.559 62.300 -0.001 0.000 1.199 219 V CB 0.716 32.542 31.823 0.005 0.000 0.900 219 V HN 0.485 nan 8.190 nan 0.000 0.494 220 M N 4.006 123.623 119.600 0.029 0.000 2.314 220 M HA 0.262 4.742 4.480 0.000 0.000 0.342 220 M C 1.106 177.459 176.300 0.089 0.000 1.171 220 M CA 0.021 55.355 55.300 0.056 0.000 1.098 220 M CB 1.415 34.067 32.600 0.086 0.000 1.559 220 M HN 0.856 nan 8.290 nan 0.000 0.459 221 S N 0.117 115.873 115.700 0.093 0.000 2.497 221 S HA 0.027 4.497 4.470 0.000 0.000 0.221 221 S C 0.762 175.429 174.600 0.112 0.000 1.037 221 S CA -0.046 58.202 58.200 0.080 0.000 0.920 221 S CB -0.251 62.979 63.200 0.049 0.000 0.800 221 S HN 0.751 nan 8.310 nan 0.000 0.505 222 H N 5.100 124.217 119.070 0.078 0.000 3.115 222 H HA 0.066 4.622 4.556 -0.000 0.000 0.324 222 H C -1.451 173.947 175.328 0.116 0.000 1.007 222 H CA -0.299 55.811 56.048 0.103 0.000 1.385 222 H CB 0.963 30.809 29.762 0.140 0.000 1.351 222 H HN 0.109 nan 8.280 nan 0.000 0.592 223 P HA -0.234 nan 4.420 nan 0.000 0.217 223 P C 1.449 178.825 177.300 0.125 0.000 1.151 223 P CA 2.437 65.496 63.100 -0.068 0.000 0.849 223 P CB -0.053 31.530 31.700 -0.195 0.000 0.787 224 R N -1.048 119.725 120.500 0.455 0.000 2.189 224 R HA -0.094 4.246 4.340 0.000 0.000 0.218 224 R C 1.434 177.630 176.300 -0.172 0.000 1.074 224 R CA 1.355 57.580 56.100 0.209 0.000 0.991 224 R CB -1.866 28.625 30.300 0.317 0.000 0.883 224 R HN 0.365 nan 8.270 nan 0.000 0.457 225 Y N -1.030 119.393 120.300 0.205 0.000 2.717 225 Y HA 0.328 4.878 4.550 0.000 0.000 0.250 225 Y C 0.548 176.489 175.900 0.069 0.000 1.149 225 Y CA -1.198 56.963 58.100 0.101 0.000 1.211 225 Y CB 0.158 38.653 38.460 0.058 0.000 1.289 225 Y HN 0.193 nan 8.280 nan 0.000 0.552 226 R N 1.057 121.656 120.500 0.165 0.000 2.485 226 R HA 0.187 4.527 4.340 0.000 0.000 0.304 226 R C 1.335 177.675 176.300 0.066 0.000 0.934 226 R CA 1.811 57.970 56.100 0.099 0.000 1.102 226 R CB -0.305 30.029 30.300 0.056 0.000 0.906 226 R HN 0.648 nan 8.270 nan 0.000 0.407 227 G N 3.108 111.943 108.800 0.059 0.000 2.217 227 G HA2 -0.295 3.665 3.960 0.000 0.000 0.246 227 G HA3 -0.295 3.665 3.960 0.000 0.000 0.246 227 G C -0.275 174.649 174.900 0.041 0.000 0.990 227 G CA 0.449 45.572 45.100 0.039 0.000 0.627 227 G HN 0.569 nan 8.290 nan 0.000 0.522 228 K N 0.352 120.791 120.400 0.066 0.000 2.208 228 K HA 0.646 4.966 4.320 0.000 0.000 0.247 228 K C 0.372 176.998 176.600 0.043 0.000 0.953 228 K CA -0.925 55.398 56.287 0.061 0.000 0.837 228 K CB 1.593 34.146 32.500 0.088 0.000 1.131 228 K HN 0.159 nan 8.250 nan 0.000 0.431 229 R N 0.745 121.248 120.500 0.005 0.000 2.531 229 R HA 0.391 4.731 4.340 0.000 0.000 0.273 229 R C -0.689 175.541 176.300 -0.117 0.000 1.070 229 R CA -0.495 55.582 56.100 -0.038 0.000 1.112 229 R CB 0.932 31.217 30.300 -0.025 0.000 1.049 229 R HN 0.225 nan 8.270 nan 0.000 0.508 230 V N 3.778 123.577 119.914 -0.191 0.000 2.612 230 V HA 0.087 4.207 4.120 0.000 0.000 0.301 230 V C -0.000 175.934 176.094 -0.266 0.000 1.059 230 V CA -0.588 61.474 62.300 -0.397 0.000 0.886 230 V CB 1.451 32.911 31.823 -0.605 0.000 1.007 230 V HN 0.769 nan 8.190 nan 0.000 0.426 231 F N 3.418 123.143 119.950 -0.375 0.000 2.031 231 F HA 0.133 4.660 4.527 0.000 0.000 0.295 231 F C 1.235 176.936 175.800 -0.165 0.000 1.133 231 F CA 2.086 59.950 58.000 -0.228 0.000 1.188 231 F CB 0.428 39.305 39.000 -0.205 0.000 0.974 231 F HN 0.555 nan 8.300 nan 0.000 0.473 232 S N -1.708 113.991 115.700 -0.003 0.000 2.560 232 S HA 0.581 5.051 4.470 0.000 0.000 0.283 232 S C -0.473 174.239 174.600 0.186 0.000 1.141 232 S CA -0.330 57.863 58.200 -0.011 0.000 0.902 232 S CB 1.044 64.211 63.200 -0.055 0.000 1.104 232 S HN 0.515 nan 8.310 nan 0.000 0.454 233 A N 2.877 125.769 122.820 0.121 0.000 2.545 233 A HA 0.723 5.043 4.320 0.000 0.000 0.277 233 A C 1.324 178.890 177.584 -0.031 0.000 1.301 233 A CA 0.529 52.626 52.037 0.100 0.000 0.935 233 A CB -1.117 17.933 19.000 0.083 0.000 1.093 233 A HN 2.335 nan 8.150 nan 0.000 0.519 234 G N -0.189 108.610 108.800 -0.002 0.000 2.698 234 G HA2 -0.199 3.761 3.960 0.000 0.000 0.233 234 G HA3 -0.199 3.761 3.960 0.000 0.000 0.233 234 G C 0.124 174.996 174.900 -0.047 0.000 1.352 234 G CA -0.201 44.891 45.100 -0.014 0.000 0.879 234 G HN 0.880 nan 8.290 nan 0.000 0.567 235 I N 1.031 121.574 120.570 -0.046 0.000 2.872 235 I HA 0.017 4.187 4.170 0.000 0.000 0.291 235 I C 0.993 176.973 176.117 -0.229 0.000 1.216 235 I CA -0.280 60.954 61.300 -0.110 0.000 1.424 235 I CB 0.348 38.273 38.000 -0.126 0.000 1.351 235 I HN 0.630 nan 8.210 nan 0.000 0.592 236 N N 6.939 125.457 118.700 -0.302 0.000 2.406 236 N HA 0.036 4.776 4.740 0.000 0.000 0.265 236 N C 0.700 176.047 175.510 -0.271 0.000 1.203 236 N CA 0.148 52.986 53.050 -0.354 0.000 0.945 236 N CB 0.697 38.808 38.487 -0.627 0.000 1.165 236 N HN 0.596 nan 8.380 nan 0.000 0.485 237 L N 3.641 124.692 121.223 -0.287 0.000 2.141 237 L HA -0.139 4.201 4.340 0.000 0.000 0.209 237 L C 2.209 179.068 176.870 -0.019 0.000 1.094 237 L CA 1.062 55.765 54.840 -0.227 0.000 0.763 237 L CB -0.114 41.647 42.059 -0.496 0.000 0.908 237 L HN 0.485 nan 8.230 nan 0.000 0.437 238 K N -0.755 119.698 120.400 0.089 0.000 2.002 238 K HA -0.186 4.134 4.320 0.000 0.000 0.209 238 K C 2.182 178.920 176.600 0.229 0.000 1.048 238 K CA 1.491 57.899 56.287 0.201 0.000 0.930 238 K CB -0.293 32.360 32.500 0.255 0.000 0.714 238 K HN 0.081 nan 8.250 nan 0.000 0.438 239 Y N 1.022 121.297 120.300 -0.041 0.000 2.128 239 Y HA -0.201 4.349 4.550 0.000 0.000 0.284 239 Y C 2.216 178.055 175.900 -0.101 0.000 1.154 239 Y CA 0.513 58.570 58.100 -0.071 0.000 1.149 239 Y CB -0.916 37.481 38.460 -0.104 0.000 0.976 239 Y HN 0.024 nan 8.280 nan 0.000 0.505 240 L N -0.656 120.586 121.223 0.032 0.000 2.043 240 L HA -0.225 4.115 4.340 0.000 0.000 0.212 240 L C 2.598 179.436 176.870 -0.052 0.000 1.075 240 L CA 2.222 57.020 54.840 -0.069 0.000 0.752 240 L CB -1.195 40.789 42.059 -0.124 0.000 0.891 240 L HN 0.184 nan 8.230 nan 0.000 0.432 241 S N -1.066 114.628 115.700 -0.010 0.000 2.348 241 S HA -0.263 4.207 4.470 0.000 0.000 0.221 241 S C 1.930 176.525 174.600 -0.009 0.000 1.033 241 S CA 1.500 59.697 58.200 -0.003 0.000 1.010 241 S CB -0.312 62.910 63.200 0.037 0.000 0.891 241 S HN 0.672 nan 8.310 nan 0.000 0.442 242 Q N -0.227 119.577 119.800 0.007 0.000 2.458 242 Q HA -0.036 4.304 4.340 0.000 0.000 0.215 242 Q C 1.308 177.284 176.000 -0.040 0.000 0.989 242 Q CA 0.756 56.549 55.803 -0.018 0.000 0.895 242 Q CB -0.462 28.259 28.738 -0.027 0.000 0.934 242 Q HN 0.793 nan 8.270 nan 0.000 0.475 243 G N -1.053 107.720 108.800 -0.044 0.000 2.136 243 G HA2 -0.257 3.703 3.960 0.000 0.000 0.242 243 G HA3 -0.257 3.703 3.960 0.000 0.000 0.242 243 G C 0.416 175.289 174.900 -0.045 0.000 0.989 243 G CA 0.023 45.093 45.100 -0.050 0.000 0.682 243 G HN 0.524 nan 8.290 nan 0.000 0.522 244 G N -0.709 108.062 108.800 -0.048 0.000 3.042 244 G HA2 0.435 4.395 3.960 0.000 0.000 0.212 244 G HA3 0.435 4.395 3.960 0.000 0.000 0.212 244 G C 0.498 175.387 174.900 -0.019 0.000 1.166 244 G CA 0.018 45.092 45.100 -0.044 0.000 0.767 244 G HN 0.435 nan 8.290 nan 0.000 0.546 245 I N 1.706 122.236 120.570 -0.066 0.000 2.304 245 I HA 0.243 4.413 4.170 0.000 0.000 0.291 245 I C 0.145 176.248 176.117 -0.023 0.000 1.018 245 I CA -0.768 60.453 61.300 -0.133 0.000 1.260 245 I CB 0.963 38.807 38.000 -0.260 0.000 1.390 245 I HN -0.071 nan 8.210 nan 0.000 0.475 246 S N 5.444 121.195 115.700 0.086 0.000 2.489 246 S HA 0.196 4.667 4.470 0.000 0.000 0.277 246 S C 1.029 175.741 174.600 0.187 0.000 1.230 246 S CA -0.578 57.705 58.200 0.139 0.000 1.053 246 S CB 0.654 63.950 63.200 0.161 0.000 0.955 246 S HN 0.528 nan 8.310 nan 0.000 0.488 247 L N 7.182 128.493 121.223 0.147 0.000 1.970 247 L HA -0.047 4.293 4.340 0.000 0.000 0.212 247 L C 2.086 179.061 176.870 0.175 0.000 1.071 247 L CA 2.126 57.056 54.840 0.151 0.000 0.751 247 L CB -0.889 41.250 42.059 0.134 0.000 0.889 247 L HN 0.640 nan 8.230 nan 0.000 0.432 248 V N -0.062 119.949 119.914 0.161 0.000 2.270 248 V HA -0.230 3.890 4.120 0.000 0.000 0.245 248 V C 2.175 178.360 176.094 0.152 0.000 1.043 248 V CA 1.999 64.391 62.300 0.154 0.000 1.014 248 V CB -0.840 31.070 31.823 0.146 0.000 0.645 248 V HN 0.469 nan 8.190 nan 0.000 0.447 249 D N -1.364 119.132 120.400 0.160 0.000 2.310 249 D HA -0.084 4.556 4.640 0.000 0.000 0.212 249 D C 1.556 177.971 176.300 0.191 0.000 0.965 249 D CA 1.208 55.302 54.000 0.157 0.000 0.879 249 D CB 0.169 41.059 40.800 0.149 0.000 0.921 249 D HN 0.517 nan 8.370 nan 0.000 0.510 250 F N -0.033 119.972 119.950 0.093 0.000 2.444 250 F HA 0.170 4.697 4.527 -0.000 0.000 0.263 250 F C 1.983 177.849 175.800 0.110 0.000 0.912 250 F CA -0.116 57.942 58.000 0.096 0.000 1.122 250 F CB -0.371 38.677 39.000 0.080 0.000 1.246 250 F HN -0.299 nan 8.300 nan 0.000 0.752 251 L N 0.481 121.942 121.223 0.397 0.000 2.043 251 L HA -0.270 4.070 4.340 0.000 0.000 0.212 251 L C 2.297 179.295 176.870 0.212 0.000 1.075 251 L CA 1.337 56.371 54.840 0.323 0.000 0.752 251 L CB -0.607 41.665 42.059 0.356 0.000 0.891 251 L HN 0.346 nan 8.230 nan 0.000 0.432 252 M N -1.286 118.426 119.600 0.187 0.000 2.357 252 M HA -0.066 4.414 4.480 0.000 0.000 0.266 252 M C 2.319 178.654 176.300 0.058 0.000 1.095 252 M CA 1.165 56.553 55.300 0.148 0.000 1.156 252 M CB -0.952 31.743 32.600 0.158 0.000 1.365 252 M HN 0.187 nan 8.290 nan 0.000 0.447 253 R N 1.417 121.946 120.500 0.047 0.000 2.091 253 R HA -0.178 4.162 4.340 0.000 0.000 0.238 253 R C 2.420 178.706 176.300 -0.022 0.000 1.136 253 R CA 1.982 58.097 56.100 0.026 0.000 0.959 253 R CB -0.170 30.153 30.300 0.039 0.000 0.856 253 R HN 0.428 nan 8.270 nan 0.000 0.437 254 R N -0.137 120.295 120.500 -0.114 0.000 2.092 254 R HA -0.083 4.257 4.340 0.000 0.000 0.231 254 R C 1.461 177.594 176.300 -0.278 0.000 1.119 254 R CA 1.355 57.347 56.100 -0.179 0.000 0.970 254 R CB -0.360 29.776 30.300 -0.273 0.000 0.864 254 R HN 0.189 nan 8.270 nan 0.000 0.440 255 E N 1.417 121.508 120.200 -0.181 0.000 2.106 255 E HA -0.064 4.286 4.350 0.000 0.000 0.192 255 E C 2.155 178.737 176.600 -0.031 0.000 0.984 255 E CA 1.031 57.339 56.400 -0.154 0.000 0.806 255 E CB -0.092 29.492 29.700 -0.194 0.000 0.750 255 E HN 0.468 nan 8.360 nan 0.000 0.458 256 L N -0.484 120.743 121.223 0.007 0.000 2.529 256 L HA 0.200 4.540 4.340 0.000 0.000 0.223 256 L C 1.755 178.674 176.870 0.081 0.000 1.113 256 L CA 0.329 55.223 54.840 0.091 0.000 0.861 256 L CB -0.109 42.002 42.059 0.087 0.000 1.012 256 L HN 0.038 nan 8.230 nan 0.000 0.461 257 G N 0.059 108.866 108.800 0.012 0.000 3.226 257 G HA2 -0.130 3.830 3.960 0.000 0.000 0.190 257 G HA3 -0.130 3.830 3.960 0.000 0.000 0.190 257 G C 1.012 175.906 174.900 -0.010 0.000 1.988 257 G CA 0.446 45.563 45.100 0.029 0.000 0.859 257 G HN 0.259 nan 8.290 nan 0.000 0.631 258 Y N 0.527 120.770 120.300 -0.094 0.000 2.315 258 Y HA 0.070 4.620 4.550 -0.000 0.000 0.288 258 Y C 2.256 178.030 175.900 -0.210 0.000 1.154 258 Y CA 1.251 59.258 58.100 -0.154 0.000 1.229 258 Y CB -0.418 37.941 38.460 -0.168 0.000 0.980 258 Y HN 0.141 nan 8.280 nan 0.000 0.540 259 I N 0.136 120.208 120.570 -0.829 0.000 2.439 259 I HA -0.232 3.938 4.170 0.000 0.000 0.251 259 I C 2.596 178.503 176.117 -0.350 0.000 1.139 259 I CA 1.529 62.420 61.300 -0.681 0.000 1.438 259 I CB -0.617 36.988 38.000 -0.657 0.000 1.085 259 I HN 0.427 nan 8.210 nan 0.000 0.427 260 H N 1.488 120.332 119.070 -0.376 0.000 2.436 260 H HA -0.054 4.502 4.556 -0.000 0.000 0.294 260 H C 1.937 177.076 175.328 -0.314 0.000 1.048 260 H CA 0.819 56.638 56.048 -0.381 0.000 1.353 260 H CB 0.411 29.973 29.762 -0.333 0.000 1.414 260 H HN 0.202 nan 8.280 nan 0.000 0.536 261 K N 0.323 120.594 120.400 -0.215 0.000 2.288 261 K HA -0.047 4.273 4.320 0.000 0.000 0.201 261 K C 2.084 178.535 176.600 -0.250 0.000 1.048 261 K CA 0.414 56.573 56.287 -0.213 0.000 0.956 261 K CB 0.222 32.655 32.500 -0.112 0.000 0.746 261 K HN 0.278 nan 8.250 nan 0.000 0.461 262 L N 0.289 121.285 121.223 -0.378 0.000 2.201 262 L HA -0.153 4.187 4.340 0.000 0.000 0.212 262 L C 2.038 178.698 176.870 -0.349 0.000 1.105 262 L CA 0.766 55.266 54.840 -0.568 0.000 0.775 262 L CB -0.141 41.428 42.059 -0.817 0.000 0.913 262 L HN 0.014 nan 8.230 nan 0.000 0.440 263 V N -0.606 119.126 119.914 -0.303 0.000 2.426 263 V HA -0.097 4.023 4.120 0.000 0.000 0.242 263 V C 2.028 177.982 176.094 -0.232 0.000 1.036 263 V CA 1.381 63.536 62.300 -0.241 0.000 1.044 263 V CB -0.223 31.456 31.823 -0.240 0.000 0.688 263 V HN 0.384 nan 8.190 nan 0.000 0.462 264 R N -0.360 119.943 120.500 -0.328 0.000 2.397 264 R HA 0.441 4.781 4.340 0.000 0.000 0.241 264 R C 0.963 177.133 176.300 -0.218 0.000 0.914 264 R CA 0.583 56.499 56.100 -0.307 0.000 1.071 264 R CB 0.818 30.829 30.300 -0.482 0.000 1.116 264 R HN 0.524 nan 8.270 nan 0.000 0.524 265 G N 1.110 109.811 108.800 -0.166 0.000 2.741 265 G HA2 -0.271 3.689 3.960 0.000 0.000 0.222 265 G HA3 -0.271 3.689 3.960 0.000 0.000 0.222 265 G C -0.336 174.505 174.900 -0.098 0.000 1.364 265 G CA -0.388 44.663 45.100 -0.082 0.000 0.866 265 G HN 0.195 nan 8.290 nan 0.000 0.555 266 V N -2.413 117.474 119.914 -0.044 0.000 2.398 266 V HA 0.739 4.859 4.120 0.000 0.000 0.286 266 V C 0.539 176.622 176.094 -0.019 0.000 1.026 266 V CA -0.918 61.362 62.300 -0.032 0.000 0.868 266 V CB 1.482 33.309 31.823 0.007 0.000 0.982 266 V HN 1.510 nan 8.190 nan 0.000 0.443 267 L N 6.103 127.310 121.223 -0.027 0.000 2.385 267 L HA 0.532 4.872 4.340 0.000 0.000 0.281 267 L C 0.757 177.682 176.870 0.090 0.000 1.106 267 L CA 1.033 55.883 54.840 0.018 0.000 0.856 267 L CB 0.496 42.542 42.059 -0.022 0.000 1.186 267 L HN 1.150 nan 8.230 nan 0.000 0.453 268 T N 1.984 116.652 114.554 0.189 0.000 2.880 268 T HA 0.482 4.832 4.350 0.000 0.000 0.279 268 T C 0.428 175.274 174.700 0.243 0.000 0.990 268 T CA -0.851 61.362 62.100 0.188 0.000 0.938 268 T CB 0.671 69.645 68.868 0.176 0.000 1.206 268 T HN 0.545 nan 8.240 nan 0.000 0.573 269 N N 1.078 119.804 118.700 0.044 0.000 2.463 269 N HA 0.214 4.954 4.740 0.000 0.000 0.270 269 N C -0.648 174.471 175.510 -0.652 0.000 1.205 269 N CA -0.533 52.418 53.050 -0.165 0.000 0.974 269 N CB 0.607 39.007 38.487 -0.144 0.000 1.197 269 N HN 0.723 nan 8.380 nan 0.000 0.504 270 D N 0.781 120.485 120.400 -1.160 0.000 2.498 270 D HA 0.016 4.656 4.640 0.000 0.000 0.229 270 D C -0.623 175.273 176.300 -0.673 0.000 1.188 270 D CA -0.020 52.955 54.000 -1.708 0.000 1.028 270 D CB -0.637 39.262 40.800 -1.502 0.000 1.087 270 D HN 0.475 nan 8.370 nan 0.000 0.510 271 D N 1.252 121.392 120.400 -0.434 0.000 2.760 271 D HA 0.152 4.792 4.640 0.000 0.000 0.314 271 D C 0.053 176.312 176.300 -0.068 0.000 1.464 271 D CA -0.632 53.258 54.000 -0.184 0.000 0.797 271 D CB 0.105 40.825 40.800 -0.134 0.000 1.149 271 D HN 0.376 nan 8.370 nan 0.000 0.455 272 R N -1.694 118.796 120.500 -0.017 0.000 2.728 272 R HA 0.537 4.877 4.340 0.000 0.000 0.274 272 R C -3.185 173.182 176.300 0.111 0.000 1.032 272 R CA -1.500 54.630 56.100 0.049 0.000 0.866 272 R CB -0.053 30.280 30.300 0.056 0.000 1.263 272 R HN -0.209 nan 8.270 nan 0.000 0.475 273 P HA 0.112 nan 4.420 nan 0.000 0.272 273 P C 0.507 177.833 177.300 0.043 0.000 1.230 273 P CA 1.008 64.198 63.100 0.150 0.000 0.788 273 P CB 0.771 32.554 31.700 0.138 0.000 0.949 274 G N 0.734 109.511 108.800 -0.039 0.000 2.220 274 G HA2 -0.303 3.657 3.960 0.000 0.000 0.269 274 G HA3 -0.303 3.657 3.960 0.000 0.000 0.269 274 G C 0.778 175.012 174.900 -1.110 0.000 0.977 274 G CA 0.431 45.001 45.100 -0.884 0.000 0.634 274 G HN 0.588 nan 8.290 nan 0.000 0.539 275 W N 1.769 122.781 121.300 -0.481 0.000 2.350 275 W HA -0.024 4.636 4.660 0.000 0.000 0.289 275 W C 2.421 178.783 176.519 -0.261 0.000 1.215 275 W CA 2.353 59.521 57.345 -0.294 0.000 1.236 275 W CB -0.307 29.107 29.460 -0.077 0.000 1.130 275 W HN 0.571 nan 8.180 nan 0.000 0.541 276 W N 0.428 121.711 121.300 -0.027 0.000 2.468 276 W HA -0.128 4.532 4.660 0.000 0.000 0.262 276 W C 1.053 177.481 176.519 -0.151 0.000 1.241 276 W CA 1.417 58.728 57.345 -0.055 0.000 1.232 276 W CB -1.778 27.727 29.460 0.075 0.000 1.124 276 W HN 0.387 nan 8.180 nan 0.000 0.597 277 H N -1.490 117.166 119.070 -0.690 0.000 3.046 277 H HA 0.396 4.952 4.556 0.000 0.000 0.262 277 H C -0.106 174.941 175.328 -0.468 0.000 1.044 277 H CA 0.084 55.791 56.048 -0.570 0.000 1.209 277 H CB -0.297 28.952 29.762 -0.856 0.000 1.507 277 H HN -0.122 nan 8.280 nan 0.000 0.507 278 S N 2.556 117.894 115.700 -0.603 0.000 2.440 278 S HA 0.179 4.649 4.470 0.000 0.000 0.142 278 S C -2.169 172.102 174.600 -0.548 0.000 1.578 278 S CA -0.797 57.160 58.200 -0.404 0.000 1.260 278 S CB 1.649 64.717 63.200 -0.220 0.000 1.407 278 S HN 0.253 nan 8.310 nan 0.000 0.392 279 P HA -0.061 nan 4.420 nan 0.000 0.221 279 P C 0.109 177.237 177.300 -0.287 0.000 1.150 279 P CA 0.618 63.115 63.100 -1.004 0.000 0.800 279 P CB 0.380 31.454 31.700 -1.042 0.000 0.787 280 R N 0.010 120.375 120.500 -0.225 0.000 2.532 280 R HA 0.561 4.901 4.340 0.000 0.000 0.295 280 R C 0.040 176.288 176.300 -0.086 0.000 0.968 280 R CA -0.865 55.167 56.100 -0.112 0.000 0.916 280 R CB 1.485 31.704 30.300 -0.135 0.000 1.124 280 R HN 0.025 nan 8.270 nan 0.000 0.463 281 I N 3.475 124.025 120.570 -0.034 0.000 2.307 281 I HA 0.149 4.319 4.170 0.000 0.000 0.289 281 I C 0.343 176.455 176.117 -0.008 0.000 1.021 281 I CA -0.206 61.085 61.300 -0.016 0.000 1.224 281 I CB 1.016 39.026 38.000 0.016 0.000 1.376 281 I HN 0.625 nan 8.210 nan 0.000 0.470 282 E N 7.001 127.191 120.200 -0.016 0.000 2.281 282 E HA 0.754 5.104 4.350 0.000 0.000 0.262 282 E C -1.345 175.267 176.600 0.021 0.000 0.933 282 E CA -1.133 55.273 56.400 0.009 0.000 0.809 282 E CB 2.617 32.300 29.700 -0.029 0.000 1.242 282 E HN 0.398 nan 8.360 nan 0.000 0.418 283 K N 0.611 121.051 120.400 0.066 0.000 2.551 283 K HA 0.386 4.706 4.320 0.000 0.000 0.269 283 K C -2.796 173.807 176.600 0.003 0.000 0.949 283 K CA -2.164 54.113 56.287 -0.017 0.000 0.849 283 K CB 2.447 34.880 32.500 -0.112 0.000 1.411 283 K HN 0.451 nan 8.250 nan 0.000 0.432 284 P HA 0.149 nan 4.420 nan 0.000 0.275 284 P C -1.306 175.912 177.300 -0.137 0.000 1.228 284 P CA -0.201 62.894 63.100 -0.008 0.000 0.786 284 P CB 0.450 32.139 31.700 -0.018 0.000 0.927 285 W N 1.274 122.581 121.300 0.012 0.000 2.761 285 W HA 0.477 5.137 4.660 -0.000 0.000 0.340 285 W C -0.893 175.823 176.519 0.329 0.000 1.072 285 W CA -0.442 56.970 57.345 0.112 0.000 1.215 285 W CB 1.827 31.225 29.460 -0.104 0.000 1.420 285 W HN 0.016 nan 8.180 nan 0.000 0.519 286 V N 2.695 122.960 119.914 0.586 0.000 2.604 286 V HA 0.837 4.957 4.120 0.000 0.000 0.305 286 V C -0.274 175.993 176.094 0.290 0.000 1.043 286 V CA -1.129 61.406 62.300 0.391 0.000 0.888 286 V CB 1.242 33.169 31.823 0.175 0.000 0.995 286 V HN 0.624 nan 8.190 nan 0.000 0.429 287 A N 3.509 126.275 122.820 -0.091 0.000 2.331 287 A HA 0.942 5.262 4.320 0.000 0.000 0.320 287 A C -0.189 177.252 177.584 -0.238 0.000 1.138 287 A CA -0.398 51.361 52.037 -0.463 0.000 0.790 287 A CB 1.474 19.706 19.000 -1.280 0.000 1.206 287 A HN 1.381 nan 8.150 nan 0.000 0.470 288 A N 2.221 124.965 122.820 -0.128 0.000 2.311 288 A HA 0.623 4.943 4.320 0.000 0.000 0.306 288 A C -0.821 176.690 177.584 -0.122 0.000 1.189 288 A CA -0.399 51.587 52.037 -0.086 0.000 0.791 288 A CB 0.847 19.852 19.000 0.008 0.000 1.172 288 A HN 1.040 nan 8.150 nan 0.000 0.481 289 V N 3.820 123.588 119.914 -0.242 0.000 2.350 289 V HA 0.305 4.425 4.120 0.000 0.000 0.276 289 V C -0.542 175.466 176.094 -0.144 0.000 1.028 289 V CA -0.570 61.538 62.300 -0.319 0.000 0.860 289 V CB 1.224 32.773 31.823 -0.456 0.000 0.990 289 V HN 0.852 nan 8.190 nan 0.000 0.453 290 D N 3.586 123.936 120.400 -0.084 0.000 2.185 290 D HA 0.530 5.170 4.640 0.000 0.000 0.247 290 D C 1.022 177.179 176.300 -0.239 0.000 1.027 290 D CA 0.646 54.582 54.000 -0.107 0.000 0.861 290 D CB 2.267 43.030 40.800 -0.062 0.000 1.202 290 D HN 0.696 nan 8.370 nan 0.000 0.453 291 G N 2.407 111.070 108.800 -0.229 0.000 5.359 291 G HA2 -0.311 3.649 3.960 0.000 0.000 0.333 291 G HA3 -0.311 3.649 3.960 0.000 0.000 0.333 291 G C 0.142 174.769 174.900 -0.455 0.000 1.365 291 G CA 1.171 46.057 45.100 -0.356 0.000 1.008 291 G HN 0.717 nan 8.290 nan 0.000 0.816 292 F N -2.572 117.131 119.950 -0.411 0.000 2.799 292 F HA 0.727 5.254 4.527 -0.000 0.000 0.316 292 F C -0.519 175.019 175.800 -0.437 0.000 1.155 292 F CA -0.764 56.780 58.000 -0.760 0.000 0.916 292 F CB 1.072 39.309 39.000 -1.271 0.000 1.294 292 F HN 1.236 nan 8.300 nan 0.000 0.447 293 A N 2.456 125.179 122.820 -0.162 0.000 2.457 293 A HA 0.800 5.120 4.320 0.000 0.000 0.283 293 A C -1.303 176.300 177.584 0.031 0.000 1.166 293 A CA -0.490 51.591 52.037 0.074 0.000 0.740 293 A CB 0.368 19.363 19.000 -0.009 0.000 1.181 293 A HN 0.718 nan 8.150 nan 0.000 0.446 294 I N 2.016 122.632 120.570 0.078 0.000 2.562 294 I HA 0.656 4.826 4.170 0.000 0.000 0.301 294 I C 1.325 177.465 176.117 0.038 0.000 1.003 294 I CA -0.083 61.223 61.300 0.010 0.000 1.127 294 I CB 1.805 39.756 38.000 -0.081 0.000 1.304 294 I HN 0.955 nan 8.210 nan 0.000 0.446 295 G N 3.473 112.288 108.800 0.024 0.000 2.652 295 G HA2 -0.339 3.621 3.960 0.000 0.000 0.318 295 G HA3 -0.339 3.621 3.960 0.000 0.000 0.318 295 G C 1.034 175.975 174.900 0.067 0.000 1.295 295 G CA 0.545 45.666 45.100 0.035 0.000 0.999 295 G HN 1.057 nan 8.290 nan 0.000 0.548 296 G N 0.318 109.168 108.800 0.084 0.000 2.499 296 G HA2 0.140 4.100 3.960 0.000 0.000 0.221 296 G HA3 0.140 4.100 3.960 0.000 0.000 0.221 296 G C 1.737 176.711 174.900 0.123 0.000 1.109 296 G CA 1.968 47.131 45.100 0.104 0.000 0.749 296 G HN 1.691 nan 8.290 nan 0.000 0.568 297 G N 0.701 109.589 108.800 0.146 0.000 2.396 297 G HA2 0.160 4.120 3.960 0.000 0.000 0.214 297 G HA3 0.160 4.120 3.960 0.000 0.000 0.214 297 G C 1.983 177.053 174.900 0.283 0.000 1.166 297 G CA 1.230 46.490 45.100 0.267 0.000 0.793 297 G HN 0.571 nan 8.290 nan 0.000 0.533 298 A N 0.464 123.380 122.820 0.159 0.000 1.969 298 A HA 0.001 4.321 4.320 0.000 0.000 0.218 298 A C 2.293 179.898 177.584 0.036 0.000 1.169 298 A CA 1.680 53.776 52.037 0.098 0.000 0.635 298 A CB -0.327 18.727 19.000 0.091 0.000 0.810 298 A HN 0.444 nan 8.150 nan 0.000 0.445 299 Q N -0.168 119.661 119.800 0.048 0.000 2.096 299 Q HA -0.140 4.200 4.340 0.000 0.000 0.204 299 Q C 1.966 177.972 176.000 0.010 0.000 0.982 299 Q CA 1.465 57.271 55.803 0.004 0.000 0.850 299 Q CB -0.464 28.282 28.738 0.014 0.000 0.901 299 Q HN 0.677 nan 8.270 nan 0.000 0.422 300 L N 0.613 121.893 121.223 0.096 0.000 2.089 300 L HA -0.261 4.079 4.340 0.000 0.000 0.213 300 L C 2.283 179.307 176.870 0.258 0.000 1.079 300 L CA 1.072 56.034 54.840 0.203 0.000 0.758 300 L CB -0.623 41.645 42.059 0.348 0.000 0.891 300 L HN 0.311 nan 8.230 nan 0.000 0.433 301 L N -0.537 120.737 121.223 0.085 0.000 2.141 301 L HA -0.184 4.156 4.340 0.000 0.000 0.209 301 L C 2.112 178.926 176.870 -0.093 0.000 1.094 301 L CA 0.873 55.699 54.840 -0.023 0.000 0.763 301 L CB -0.461 41.471 42.059 -0.212 0.000 0.908 301 L HN 0.333 nan 8.230 nan 0.000 0.437 302 L N -0.765 120.305 121.223 -0.254 0.000 2.711 302 L HA -0.058 4.282 4.340 0.000 0.000 0.242 302 L C 1.521 178.360 176.870 -0.053 0.000 1.153 302 L CA 0.042 54.577 54.840 -0.507 0.000 0.898 302 L CB -0.157 41.628 42.059 -0.456 0.000 1.044 302 L HN 0.079 nan 8.230 nan 0.000 0.437 303 V N -1.714 118.228 119.914 0.047 0.000 3.451 303 V HA 0.176 4.296 4.120 0.000 0.000 0.288 303 V C 0.495 176.535 176.094 -0.091 0.000 1.502 303 V CA -0.184 62.099 62.300 -0.028 0.000 1.026 303 V CB 0.339 32.056 31.823 -0.178 0.000 0.840 303 V HN 0.065 nan 8.190 nan 0.000 0.437 304 F N 0.856 120.821 119.950 0.024 0.000 2.371 304 F HA 0.262 4.789 4.527 0.000 0.000 0.329 304 F C 1.380 177.243 175.800 0.105 0.000 1.107 304 F CA 0.019 58.068 58.000 0.083 0.000 1.137 304 F CB 0.917 39.965 39.000 0.079 0.000 1.214 304 F HN 0.030 nan 8.300 nan 0.000 0.536 305 D N -0.136 120.425 120.400 0.269 0.000 2.194 305 D HA 0.002 4.642 4.640 0.000 0.000 0.204 305 D C 0.299 176.704 176.300 0.175 0.000 0.964 305 D CA 1.035 55.143 54.000 0.179 0.000 0.846 305 D CB 0.247 41.132 40.800 0.141 0.000 0.962 305 D HN 0.147 nan 8.370 nan 0.000 0.490 306 R N -0.135 120.502 120.500 0.229 0.000 2.604 306 R HA 0.540 4.880 4.340 0.000 0.000 0.281 306 R C -2.198 174.172 176.300 0.116 0.000 1.020 306 R CA -0.658 55.530 56.100 0.146 0.000 0.899 306 R CB 1.691 32.058 30.300 0.111 0.000 1.205 306 R HN -0.210 nan 8.270 nan 0.000 0.450 307 V N 5.434 125.367 119.914 0.033 0.000 2.525 307 V HA 0.553 4.673 4.120 0.000 0.000 0.299 307 V C -0.994 175.065 176.094 -0.058 0.000 1.034 307 V CA -0.743 61.519 62.300 -0.063 0.000 0.863 307 V CB 1.579 33.329 31.823 -0.121 0.000 0.999 307 V HN 0.555 nan 8.190 nan 0.000 0.423 308 L N 3.491 124.674 121.223 -0.067 0.000 2.319 308 L HA 1.033 5.373 4.340 0.000 0.000 0.267 308 L C 0.138 176.987 176.870 -0.036 0.000 1.011 308 L CA -0.351 54.470 54.840 -0.031 0.000 0.818 308 L CB 2.079 44.131 42.059 -0.011 0.000 1.316 308 L HN 0.852 nan 8.230 nan 0.000 0.432 309 A N 0.056 122.885 122.820 0.016 0.000 2.574 309 A HA 0.730 5.050 4.320 0.000 0.000 0.297 309 A C -0.703 176.907 177.584 0.043 0.000 1.062 309 A CA -0.471 51.589 52.037 0.039 0.000 0.686 309 A CB 1.570 20.683 19.000 0.189 0.000 1.285 309 A HN 0.668 nan 8.150 nan 0.000 0.403 310 S N 0.899 116.611 115.700 0.018 0.000 2.580 310 S HA 0.336 4.806 4.470 0.000 0.000 0.274 310 S C 0.997 175.634 174.600 0.062 0.000 1.329 310 S CA 0.306 58.524 58.200 0.031 0.000 1.036 310 S CB 1.146 64.354 63.200 0.014 0.000 0.919 310 S HN 0.890 nan 8.310 nan 0.000 0.515 311 S N 1.265 117.008 115.700 0.072 0.000 2.441 311 S HA -0.143 4.327 4.470 0.000 0.000 0.242 311 S C 1.433 176.113 174.600 0.133 0.000 1.018 311 S CA 1.564 59.823 58.200 0.098 0.000 0.988 311 S CB -0.525 62.721 63.200 0.076 0.000 0.778 311 S HN 0.954 nan 8.310 nan 0.000 0.498 312 D N 0.459 120.933 120.400 0.123 0.000 2.342 312 D HA 0.283 4.923 4.640 0.000 0.000 0.221 312 D C 0.393 176.833 176.300 0.234 0.000 1.101 312 D CA -0.055 54.055 54.000 0.183 0.000 0.837 312 D CB -0.001 40.886 40.800 0.145 0.000 0.938 312 D HN 0.284 nan 8.370 nan 0.000 0.508 313 A N 0.342 123.228 122.820 0.110 0.000 2.252 313 A HA 0.624 4.944 4.320 0.000 0.000 0.305 313 A C -0.803 176.659 177.584 -0.203 0.000 1.097 313 A CA -0.694 51.279 52.037 -0.108 0.000 0.849 313 A CB 0.524 19.340 19.000 -0.306 0.000 1.142 313 A HN 0.389 nan 8.150 nan 0.000 0.499 314 Y N -2.789 117.094 120.300 -0.695 0.000 2.625 314 Y HA 0.788 5.338 4.550 -0.000 0.000 0.338 314 Y C -1.575 173.572 175.900 -1.256 0.000 1.123 314 Y CA -1.895 55.603 58.100 -1.004 0.000 1.046 314 Y CB 1.051 38.735 38.460 -1.294 0.000 1.299 314 Y HN 0.430 nan 8.280 nan 0.000 0.464 315 F N 1.574 121.484 119.950 -0.065 0.000 2.507 315 F HA 0.799 5.326 4.527 -0.000 0.000 0.325 315 F C -0.144 175.640 175.800 -0.027 0.000 1.116 315 F CA -0.663 57.291 58.000 -0.076 0.000 0.930 315 F CB 2.334 41.271 39.000 -0.105 0.000 1.146 315 F HN 0.768 nan 8.300 nan 0.000 0.447 316 S N 2.445 118.209 115.700 0.106 0.000 2.565 316 S HA 0.824 5.294 4.470 0.000 0.000 0.269 316 S C -1.723 172.898 174.600 0.036 0.000 1.153 316 S CA -0.948 57.286 58.200 0.057 0.000 0.835 316 S CB 1.656 64.869 63.200 0.022 0.000 1.122 316 S HN 0.640 nan 8.310 nan 0.000 0.462 317 L N 2.262 123.498 121.223 0.021 0.000 2.462 317 L HA 0.424 4.764 4.340 0.000 0.000 0.255 317 L C -1.736 175.137 176.870 0.004 0.000 1.076 317 L CA -1.683 53.167 54.840 0.017 0.000 0.920 317 L CB 2.001 44.076 42.059 0.026 0.000 1.214 317 L HN 0.609 nan 8.230 nan 0.000 0.472 318 P HA -0.112 nan 4.420 nan 0.000 0.217 318 P C 0.785 178.076 177.300 -0.015 0.000 1.151 318 P CA 0.525 63.612 63.100 -0.021 0.000 0.828 318 P CB 0.436 32.111 31.700 -0.042 0.000 0.788 319 A N 0.161 122.971 122.820 -0.016 0.000 3.052 319 A HA 0.391 4.711 4.320 0.000 0.000 0.266 319 A C 1.677 179.262 177.584 0.002 0.000 1.855 319 A CA 0.436 52.465 52.037 -0.012 0.000 1.473 319 A CB -1.144 17.844 19.000 -0.021 0.000 1.038 319 A HN 0.248 nan 8.150 nan 0.000 0.619 320 A N 1.382 124.205 122.820 0.005 0.000 1.975 320 A HA -0.012 4.308 4.320 0.000 0.000 0.215 320 A C 2.129 179.720 177.584 0.011 0.000 1.170 320 A CA 1.122 53.166 52.037 0.011 0.000 0.656 320 A CB -0.125 18.883 19.000 0.013 0.000 0.821 320 A HN 0.661 nan 8.150 nan 0.000 0.449 321 K N 0.216 120.621 120.400 0.009 0.000 1.967 321 K HA -0.093 4.227 4.320 0.000 0.000 0.212 321 K C 0.239 176.845 176.600 0.009 0.000 1.044 321 K CA 1.463 57.756 56.287 0.009 0.000 0.942 321 K CB -0.260 32.247 32.500 0.011 0.000 0.726 321 K HN 0.459 nan 8.250 nan 0.000 0.440 322 E N 0.484 120.687 120.200 0.006 0.000 3.385 322 E HA 0.229 4.579 4.350 0.000 0.000 0.206 322 E C -0.336 176.260 176.600 -0.008 0.000 0.997 322 E CA -0.492 55.910 56.400 0.003 0.000 1.278 322 E CB 1.376 31.082 29.700 0.010 0.000 1.165 322 E HN 0.344 nan 8.360 nan 0.000 0.452 323 G N 0.665 109.459 108.800 -0.009 0.000 2.667 323 G HA2 0.633 4.593 3.960 0.000 0.000 0.310 323 G HA3 0.633 4.593 3.960 0.000 0.000 0.310 323 G C 0.144 175.034 174.900 -0.016 0.000 1.259 323 G CA -0.847 44.242 45.100 -0.018 0.000 1.019 323 G HN 0.215 nan 8.290 nan 0.000 0.496 324 I N -1.986 118.574 120.570 -0.017 0.000 3.244 324 I HA 0.525 4.695 4.170 0.000 0.000 0.314 324 I C 0.040 176.175 176.117 0.029 0.000 1.043 324 I CA -0.972 60.318 61.300 -0.016 0.000 1.099 324 I CB 0.847 38.832 38.000 -0.025 0.000 1.449 324 I HN 0.248 nan 8.210 nan 0.000 0.625 325 I N 2.759 123.354 120.570 0.042 0.000 2.618 325 I HA 0.097 4.267 4.170 0.000 0.000 0.284 325 I C -1.702 174.542 176.117 0.212 0.000 1.146 325 I CA -1.276 60.106 61.300 0.135 0.000 1.425 325 I CB 0.296 38.398 38.000 0.170 0.000 1.383 325 I HN 0.466 nan 8.210 nan 0.000 0.562 326 P HA 0.069 nan 4.420 nan 0.000 0.231 326 P C 0.755 178.148 177.300 0.155 0.000 1.756 326 P CA 0.418 63.602 63.100 0.142 0.000 0.990 326 P CB -0.068 31.685 31.700 0.088 0.000 1.973 327 G N 2.853 111.798 108.800 0.243 0.000 2.622 327 G HA2 -0.359 3.602 3.960 0.000 0.000 0.307 327 G HA3 -0.359 3.602 3.960 0.000 0.000 0.307 327 G C 0.813 175.667 174.900 -0.077 0.000 1.226 327 G CA 0.319 45.455 45.100 0.060 0.000 0.997 327 G HN 0.535 nan 8.290 nan 0.000 0.551 328 A N 0.283 123.004 122.820 -0.166 0.000 2.415 328 A HA 0.745 5.065 4.320 0.000 0.000 0.248 328 A C 2.256 179.713 177.584 -0.212 0.000 1.299 328 A CA 1.251 53.133 52.037 -0.259 0.000 0.899 328 A CB -0.416 18.419 19.000 -0.275 0.000 0.997 328 A HN 2.064 nan 8.150 nan 0.000 0.506 329 A N 0.877 123.654 122.820 -0.072 0.000 1.969 329 A HA -0.149 4.171 4.320 0.000 0.000 0.218 329 A C 1.683 179.248 177.584 -0.032 0.000 1.169 329 A CA 1.723 53.730 52.037 -0.050 0.000 0.635 329 A CB -0.487 18.509 19.000 -0.006 0.000 0.810 329 A HN 0.546 nan 8.150 nan 0.000 0.445 330 N N -0.390 118.330 118.700 0.034 0.000 2.381 330 N HA -0.084 4.656 4.740 0.000 0.000 0.182 330 N C 1.336 176.828 175.510 -0.030 0.000 1.025 330 N CA 1.144 54.252 53.050 0.095 0.000 0.888 330 N CB -0.262 38.401 38.487 0.293 0.000 0.965 330 N HN 0.485 nan 8.380 nan 0.000 0.438 331 L N 0.079 121.087 121.223 -0.358 0.000 2.202 331 L HA 0.157 4.497 4.340 0.000 0.000 0.205 331 L C 1.591 178.336 176.870 -0.207 0.000 1.083 331 L CA 1.422 55.951 54.840 -0.519 0.000 0.790 331 L CB 0.074 41.432 42.059 -1.167 0.000 0.942 331 L HN -0.064 nan 8.230 nan 0.000 0.452 332 R N -1.511 118.912 120.500 -0.128 0.000 2.225 332 R HA 0.136 4.476 4.340 0.000 0.000 0.194 332 R C 1.936 178.340 176.300 0.173 0.000 0.957 332 R CA 0.463 56.587 56.100 0.038 0.000 1.042 332 R CB -0.319 30.019 30.300 0.064 0.000 1.004 332 R HN 0.194 nan 8.270 nan 0.000 0.509 333 L N 1.064 122.336 121.223 0.081 0.000 2.042 333 L HA -0.059 4.281 4.340 0.000 0.000 0.210 333 L C 2.100 179.056 176.870 0.143 0.000 1.076 333 L CA 2.101 57.005 54.840 0.107 0.000 0.749 333 L CB -1.022 41.055 42.059 0.031 0.000 0.893 333 L HN 0.237 nan 8.230 nan 0.000 0.432 334 G N -0.946 107.903 108.800 0.082 0.000 2.476 334 G HA2 -0.384 3.576 3.960 0.000 0.000 0.218 334 G HA3 -0.384 3.576 3.960 0.000 0.000 0.218 334 G C 1.811 176.740 174.900 0.048 0.000 1.164 334 G CA 0.960 46.093 45.100 0.056 0.000 0.768 334 G HN 0.428 nan 8.290 nan 0.000 0.560 335 R N -0.637 119.888 120.500 0.042 0.000 2.091 335 R HA -0.078 4.262 4.340 0.000 0.000 0.238 335 R C 2.318 178.542 176.300 -0.127 0.000 1.136 335 R CA 1.620 57.683 56.100 -0.061 0.000 0.959 335 R CB -0.357 29.884 30.300 -0.099 0.000 0.856 335 R HN 0.440 nan 8.270 nan 0.000 0.437 336 F N -0.697 119.230 119.950 -0.039 0.000 2.219 336 F HA 0.089 4.616 4.527 -0.000 0.000 0.294 336 F C 2.240 178.018 175.800 -0.037 0.000 1.086 336 F CA 1.118 59.093 58.000 -0.042 0.000 1.330 336 F CB 0.063 39.030 39.000 -0.054 0.000 1.047 336 F HN 0.130 nan 8.300 nan 0.000 0.495 337 A N -0.486 122.428 122.820 0.158 0.000 2.382 337 A HA 0.573 4.893 4.320 0.000 0.000 0.228 337 A C 1.017 178.629 177.584 0.048 0.000 1.217 337 A CA 0.495 52.581 52.037 0.083 0.000 0.923 337 A CB -0.612 18.430 19.000 0.071 0.000 0.979 337 A HN 0.488 nan 8.150 nan 0.000 0.515 338 G N -0.059 108.765 108.800 0.039 0.000 2.730 338 G HA2 -0.111 3.849 3.960 0.000 0.000 0.686 338 G HA3 -0.111 3.849 3.960 0.000 0.000 0.686 338 G C -1.469 173.449 174.900 0.029 0.000 1.343 338 G CA -0.226 44.888 45.100 0.023 0.000 0.826 338 G HN 0.089 nan 8.290 nan 0.000 0.582 339 P HA -0.077 nan 4.420 nan 0.000 0.221 339 P C 1.701 179.017 177.300 0.027 0.000 1.150 339 P CA 0.899 64.014 63.100 0.026 0.000 0.800 339 P CB 0.110 31.823 31.700 0.021 0.000 0.787 340 R N -0.020 120.495 120.500 0.025 0.000 2.057 340 R HA -0.010 4.330 4.340 0.000 0.000 0.229 340 R C 2.388 178.706 176.300 0.030 0.000 1.136 340 R CA 0.950 57.066 56.100 0.025 0.000 0.952 340 R CB -1.549 28.765 30.300 0.023 0.000 0.848 340 R HN 0.129 nan 8.270 nan 0.000 0.430 341 V N 0.823 120.757 119.914 0.032 0.000 2.427 341 V HA -0.207 3.913 4.120 0.000 0.000 0.248 341 V C 2.569 178.685 176.094 0.037 0.000 1.051 341 V CA 1.896 64.218 62.300 0.036 0.000 1.048 341 V CB -0.528 31.318 31.823 0.038 0.000 0.666 341 V HN 0.366 nan 8.190 nan 0.000 0.456 342 S N -0.111 115.612 115.700 0.038 0.000 2.365 342 S HA -0.253 4.217 4.470 0.000 0.000 0.225 342 S C 2.148 176.770 174.600 0.037 0.000 1.039 342 S CA 1.845 60.068 58.200 0.039 0.000 1.033 342 S CB -0.237 62.989 63.200 0.043 0.000 0.887 342 S HN 0.585 nan 8.310 nan 0.000 0.447 343 R N 0.167 120.688 120.500 0.035 0.000 2.235 343 R HA 0.066 4.406 4.340 0.000 0.000 0.213 343 R C 2.605 178.923 176.300 0.031 0.000 1.059 343 R CA 1.028 57.149 56.100 0.034 0.000 0.997 343 R CB -0.133 30.185 30.300 0.031 0.000 0.884 343 R HN 0.559 nan 8.270 nan 0.000 0.462 344 Q N -0.258 119.561 119.800 0.032 0.000 2.083 344 Q HA -0.065 4.275 4.340 0.000 0.000 0.198 344 Q C 2.077 178.096 176.000 0.031 0.000 0.969 344 Q CA 1.118 56.940 55.803 0.032 0.000 0.838 344 Q CB 0.224 28.983 28.738 0.035 0.000 0.900 344 Q HN 0.127 nan 8.270 nan 0.000 0.436 345 V N 0.651 120.585 119.914 0.032 0.000 2.323 345 V HA -0.213 3.907 4.120 0.000 0.000 0.244 345 V C 1.986 178.097 176.094 0.027 0.000 1.041 345 V CA 1.589 63.907 62.300 0.030 0.000 1.025 345 V CB -0.257 31.583 31.823 0.029 0.000 0.656 345 V HN 0.338 nan 8.190 nan 0.000 0.451 346 I N -0.963 119.626 120.570 0.031 0.000 2.494 346 I HA -0.059 4.111 4.170 0.000 0.000 0.250 346 I C 2.096 178.232 176.117 0.032 0.000 1.112 346 I CA 1.026 62.346 61.300 0.035 0.000 1.438 346 I CB -0.098 37.929 38.000 0.045 0.000 1.111 346 I HN 0.210 nan 8.210 nan 0.000 0.431 347 L N 0.226 121.467 121.223 0.031 0.000 2.209 347 L HA -0.006 4.334 4.340 0.000 0.000 0.207 347 L C 1.982 178.865 176.870 0.023 0.000 1.094 347 L CA 0.937 55.794 54.840 0.027 0.000 0.790 347 L CB -0.230 41.845 42.059 0.027 0.000 0.932 347 L HN 0.222 nan 8.230 nan 0.000 0.447 348 E N -0.235 119.979 120.200 0.023 0.000 2.489 348 E HA 0.130 4.480 4.350 0.000 0.000 0.204 348 E C 1.174 177.784 176.600 0.018 0.000 1.006 348 E CA 0.703 57.115 56.400 0.021 0.000 0.936 348 E CB 0.925 30.638 29.700 0.023 0.000 1.002 348 E HN 0.397 nan 8.360 nan 0.000 0.488 349 G N 3.220 112.030 108.800 0.017 0.000 2.176 349 G HA2 -0.348 3.612 3.960 0.000 0.000 0.252 349 G HA3 -0.348 3.612 3.960 0.000 0.000 0.252 349 G C 0.283 175.188 174.900 0.008 0.000 1.024 349 G CA 0.542 45.648 45.100 0.010 0.000 0.755 349 G HN 0.252 nan 8.290 nan 0.000 0.507 350 R N 0.216 120.728 120.500 0.019 0.000 2.449 350 R HA 0.328 4.668 4.340 0.000 0.000 0.296 350 R C 0.798 177.107 176.300 0.014 0.000 1.047 350 R CA -0.244 55.872 56.100 0.027 0.000 1.018 350 R CB 0.291 30.617 30.300 0.043 0.000 0.962 350 R HN 0.449 nan 8.270 nan 0.000 0.428 351 R N 5.183 125.675 120.500 -0.013 0.000 2.297 351 R HA 0.260 4.600 4.340 0.000 0.000 0.308 351 R C -0.789 175.461 176.300 -0.082 0.000 1.029 351 R CA -0.395 55.644 56.100 -0.102 0.000 0.929 351 R CB 0.737 30.869 30.300 -0.281 0.000 1.046 351 R HN 0.592 nan 8.270 nan 0.000 0.461 352 I N 5.275 125.826 120.570 -0.032 0.000 2.330 352 I HA 0.248 4.418 4.170 0.000 0.000 0.289 352 I C -0.610 175.593 176.117 0.143 0.000 1.001 352 I CA -0.720 60.647 61.300 0.112 0.000 1.193 352 I CB 0.856 38.965 38.000 0.181 0.000 1.345 352 I HN 0.553 nan 8.210 nan 0.000 0.461 353 W N 4.222 125.665 121.300 0.238 0.000 2.251 353 W HA 0.409 5.069 4.660 0.000 0.000 0.329 353 W C 1.391 178.089 176.519 0.299 0.000 1.234 353 W CA -0.443 57.044 57.345 0.236 0.000 1.228 353 W CB 0.686 30.226 29.460 0.133 0.000 1.135 353 W HN 0.559 nan 8.180 nan 0.000 0.576 354 A N 2.242 125.376 122.820 0.524 0.000 2.024 354 A HA -0.185 4.135 4.320 0.000 0.000 0.220 354 A C 1.849 179.608 177.584 0.292 0.000 1.164 354 A CA 1.364 53.675 52.037 0.457 0.000 0.643 354 A CB -0.232 18.973 19.000 0.341 0.000 0.806 354 A HN 0.507 nan 8.150 nan 0.000 0.451 355 K N 0.436 121.001 120.400 0.275 0.000 2.404 355 K HA 0.056 4.376 4.320 0.000 0.000 0.194 355 K C 0.339 177.027 176.600 0.147 0.000 1.023 355 K CA 0.325 56.716 56.287 0.174 0.000 1.094 355 K CB 0.048 32.626 32.500 0.130 0.000 0.841 355 K HN 0.920 nan 8.250 nan 0.000 0.523 356 E N 0.490 120.805 120.200 0.192 0.000 2.313 356 E HA 0.168 4.518 4.350 0.000 0.000 0.272 356 E C -2.139 174.530 176.600 0.116 0.000 1.038 356 E CA -1.986 54.502 56.400 0.147 0.000 0.863 356 E CB 0.991 30.803 29.700 0.186 0.000 1.060 356 E HN -0.288 nan 8.360 nan 0.000 0.402 357 P HA -0.265 nan 4.420 nan 0.000 0.217 357 P C 0.553 177.887 177.300 0.056 0.000 1.162 357 P CA 1.661 64.797 63.100 0.060 0.000 0.901 357 P CB 0.109 31.837 31.700 0.048 0.000 0.793 358 E N -1.032 119.206 120.200 0.064 0.000 2.409 358 E HA -0.073 4.277 4.350 0.000 0.000 0.198 358 E C 1.864 178.482 176.600 0.031 0.000 1.024 358 E CA 0.649 57.079 56.400 0.050 0.000 0.861 358 E CB -0.382 29.353 29.700 0.058 0.000 0.788 358 E HN 0.234 nan 8.360 nan 0.000 0.521 359 A N 2.088 124.938 122.820 0.049 0.000 2.121 359 A HA -0.171 4.149 4.320 0.000 0.000 0.218 359 A C 2.049 179.587 177.584 -0.076 0.000 1.154 359 A CA 0.779 52.808 52.037 -0.012 0.000 0.679 359 A CB -0.464 18.603 19.000 0.112 0.000 0.795 359 A HN 0.219 nan 8.150 nan 0.000 0.458 360 R N -0.151 120.339 120.500 -0.016 0.000 2.307 360 R HA 0.159 4.499 4.340 0.000 0.000 0.199 360 R C 1.044 177.339 176.300 -0.009 0.000 1.000 360 R CA 0.742 56.833 56.100 -0.015 0.000 1.023 360 R CB -0.540 29.766 30.300 0.009 0.000 0.908 360 R HN 0.458 nan 8.270 nan 0.000 0.473 361 L N 0.380 121.599 121.223 -0.007 0.000 2.313 361 L HA 0.044 4.384 4.340 0.000 0.000 0.214 361 L C 1.794 178.708 176.870 0.074 0.000 1.119 361 L CA 0.798 55.662 54.840 0.041 0.000 0.809 361 L CB -0.015 42.070 42.059 0.044 0.000 0.933 361 L HN 0.210 nan 8.230 nan 0.000 0.449 362 L N -2.085 119.085 121.223 -0.089 0.000 2.653 362 L HA 0.212 4.552 4.340 0.000 0.000 0.230 362 L C 0.164 176.870 176.870 -0.273 0.000 1.055 362 L CA -0.077 54.623 54.840 -0.234 0.000 0.880 362 L CB 0.926 42.693 42.059 -0.488 0.000 1.195 362 L HN -0.162 nan 8.230 nan 0.000 0.492 363 V N -0.276 119.483 119.914 -0.258 0.000 2.628 363 V HA 0.229 4.349 4.120 0.000 0.000 0.306 363 V C 0.048 176.101 176.094 -0.068 0.000 1.045 363 V CA -0.596 61.589 62.300 -0.193 0.000 0.905 363 V CB 2.125 33.812 31.823 -0.226 0.000 0.997 363 V HN 0.069 nan 8.190 nan 0.000 0.436 364 D N 1.799 122.180 120.400 -0.032 0.000 2.271 364 D HA 0.082 4.722 4.640 0.000 0.000 0.206 364 D C 0.513 176.816 176.300 0.005 0.000 0.967 364 D CA 0.875 54.874 54.000 -0.000 0.000 0.867 364 D CB 1.061 41.870 40.800 0.015 0.000 0.960 364 D HN 0.676 nan 8.370 nan 0.000 0.509 365 E N 0.359 120.562 120.200 0.006 0.000 2.343 365 E HA 0.291 4.641 4.350 0.000 0.000 0.288 365 E C -1.767 174.850 176.600 0.029 0.000 0.907 365 E CA -0.310 56.101 56.400 0.017 0.000 0.792 365 E CB 2.412 32.121 29.700 0.016 0.000 1.275 365 E HN -0.287 nan 8.360 nan 0.000 0.402 366 V N 4.015 123.954 119.914 0.042 0.000 2.495 366 V HA 0.590 4.710 4.120 0.000 0.000 0.298 366 V C -0.421 175.703 176.094 0.049 0.000 1.031 366 V CA -0.657 61.680 62.300 0.062 0.000 0.871 366 V CB 1.662 33.538 31.823 0.088 0.000 0.988 366 V HN 0.452 nan 8.190 nan 0.000 0.432 367 V N 2.647 122.588 119.914 0.046 0.000 2.925 367 V HA 0.471 4.591 4.120 0.000 0.000 0.311 367 V C -0.336 175.780 176.094 0.037 0.000 1.104 367 V CA -1.008 61.313 62.300 0.036 0.000 0.954 367 V CB 2.344 34.183 31.823 0.027 0.000 1.022 367 V HN 0.788 nan 8.190 nan 0.000 0.427 368 E N 4.762 124.982 120.200 0.033 0.000 2.415 368 E HA 0.078 4.428 4.350 0.000 0.000 0.263 368 E C -1.491 175.125 176.600 0.027 0.000 0.995 368 E CA -1.566 54.853 56.400 0.032 0.000 0.915 368 E CB 0.877 30.593 29.700 0.026 0.000 0.951 368 E HN 0.403 nan 8.360 nan 0.000 0.449 369 P HA -0.202 nan 4.420 nan 0.000 0.218 369 P C 0.220 177.531 177.300 0.019 0.000 1.147 369 P CA 1.288 64.402 63.100 0.023 0.000 0.827 369 P CB 0.392 32.106 31.700 0.024 0.000 0.778 370 D N -0.568 119.843 120.400 0.019 0.000 2.370 370 D HA 0.036 4.676 4.640 0.000 0.000 0.230 370 D C 1.115 177.424 176.300 0.015 0.000 1.143 370 D CA 0.301 54.311 54.000 0.016 0.000 0.834 370 D CB 0.265 41.073 40.800 0.015 0.000 0.944 370 D HN 0.226 nan 8.370 nan 0.000 0.504 371 E N -0.373 119.837 120.200 0.017 0.000 2.679 371 E HA 0.013 4.363 4.350 0.000 0.000 0.221 371 E C 1.563 178.173 176.600 0.017 0.000 0.928 371 E CA -0.177 56.232 56.400 0.016 0.000 1.296 371 E CB 0.464 30.174 29.700 0.017 0.000 1.235 371 E HN 0.108 nan 8.360 nan 0.000 0.622 372 L N 2.274 123.508 121.223 0.017 0.000 1.970 372 L HA -0.155 4.185 4.340 0.000 0.000 0.212 372 L C 1.499 178.379 176.870 0.017 0.000 1.071 372 L CA 2.149 56.999 54.840 0.017 0.000 0.751 372 L CB -0.452 41.617 42.059 0.016 0.000 0.889 372 L HN -0.054 nan 8.230 nan 0.000 0.432 373 D N -0.127 120.283 120.400 0.017 0.000 2.133 373 D HA -0.245 4.395 4.640 0.000 0.000 0.192 373 D C 2.148 178.458 176.300 0.017 0.000 1.001 373 D CA 1.729 55.740 54.000 0.018 0.000 0.844 373 D CB -0.398 40.413 40.800 0.018 0.000 0.944 373 D HN 0.508 nan 8.370 nan 0.000 0.447 374 A N 1.164 123.993 122.820 0.015 0.000 1.883 374 A HA -0.084 4.236 4.320 0.000 0.000 0.217 374 A C 2.375 179.967 177.584 0.013 0.000 1.186 374 A CA 2.621 54.666 52.037 0.013 0.000 0.624 374 A CB -0.872 18.135 19.000 0.012 0.000 0.822 374 A HN 0.261 nan 8.150 nan 0.000 0.444 375 A N -0.212 122.617 122.820 0.015 0.000 1.933 375 A HA -0.085 4.235 4.320 0.000 0.000 0.218 375 A C 2.109 179.703 177.584 0.016 0.000 1.175 375 A CA 1.549 53.595 52.037 0.015 0.000 0.628 375 A CB -0.621 18.389 19.000 0.016 0.000 0.814 375 A HN 0.527 nan 8.150 nan 0.000 0.444 376 I N -0.516 120.065 120.570 0.017 0.000 2.315 376 I HA -0.188 3.982 4.170 0.000 0.000 0.248 376 I C 2.414 178.543 176.117 0.020 0.000 1.117 376 I CA 1.053 62.365 61.300 0.021 0.000 1.404 376 I CB -0.371 37.644 38.000 0.025 0.000 1.071 376 I HN 0.267 nan 8.210 nan 0.000 0.419 377 E N 0.830 121.040 120.200 0.017 0.000 2.031 377 E HA -0.236 4.114 4.350 0.000 0.000 0.193 377 E C 2.179 178.785 176.600 0.010 0.000 0.994 377 E CA 1.097 57.505 56.400 0.013 0.000 0.800 377 E CB -0.449 29.258 29.700 0.011 0.000 0.752 377 E HN 0.387 nan 8.360 nan 0.000 0.447 378 R N 0.613 121.119 120.500 0.010 0.000 2.127 378 R HA -0.100 4.240 4.340 0.000 0.000 0.238 378 R C 2.373 178.678 176.300 0.009 0.000 1.134 378 R CA 1.519 57.624 56.100 0.008 0.000 0.975 378 R CB -0.014 30.292 30.300 0.009 0.000 0.865 378 R HN 0.005 nan 8.270 nan 0.000 0.447 379 S N 0.599 116.308 115.700 0.014 0.000 2.368 379 S HA -0.059 4.411 4.470 0.000 0.000 0.224 379 S C 1.819 176.428 174.600 0.015 0.000 1.029 379 S CA 0.968 59.179 58.200 0.018 0.000 0.988 379 S CB -0.101 63.115 63.200 0.026 0.000 0.838 379 S HN 0.254 nan 8.310 nan 0.000 0.462 380 L N 1.362 122.592 121.223 0.012 0.000 1.989 380 L HA -0.148 4.192 4.340 0.000 0.000 0.211 380 L C 2.870 179.734 176.870 -0.010 0.000 1.071 380 L CA 1.686 56.526 54.840 -0.001 0.000 0.749 380 L CB -1.451 40.606 42.059 -0.003 0.000 0.890 380 L HN 0.442 nan 8.230 nan 0.000 0.431 381 T N -2.885 111.664 114.554 -0.007 0.000 3.051 381 T HA -0.138 4.212 4.350 0.000 0.000 0.269 381 T C 1.775 176.469 174.700 -0.010 0.000 1.127 381 T CA 0.686 62.779 62.100 -0.011 0.000 1.107 381 T CB -0.300 68.563 68.868 -0.008 0.000 0.898 381 T HN 0.307 nan 8.240 nan 0.000 0.517 382 R N 0.150 120.647 120.500 -0.005 0.000 2.310 382 R HA 0.344 4.684 4.340 0.000 0.000 0.202 382 R C 1.018 177.314 176.300 -0.007 0.000 0.933 382 R CA 0.256 56.354 56.100 -0.004 0.000 1.054 382 R CB -0.047 30.255 30.300 0.002 0.000 0.985 382 R HN 0.421 nan 8.270 nan 0.000 0.489 383 L N 0.040 121.256 121.223 -0.011 0.000 2.965 383 L HA 0.155 4.495 4.340 0.000 0.000 0.254 383 L C 0.623 177.474 176.870 -0.031 0.000 1.220 383 L CA -0.215 54.615 54.840 -0.016 0.000 1.023 383 L CB 0.487 42.540 42.059 -0.010 0.000 1.355 383 L HN -0.056 nan 8.230 nan 0.000 0.545 384 D N 1.092 121.474 120.400 -0.031 0.000 2.117 384 D HA -0.046 4.594 4.640 0.000 0.000 0.198 384 D C 1.415 177.695 176.300 -0.034 0.000 0.982 384 D CA 0.920 54.899 54.000 -0.036 0.000 0.828 384 D CB 0.182 40.963 40.800 -0.030 0.000 0.967 384 D HN 0.332 nan 8.370 nan 0.000 0.464 385 G N 0.267 109.050 108.800 -0.028 0.000 2.683 385 G HA2 -0.034 3.926 3.960 0.000 0.000 0.260 385 G HA3 -0.034 3.926 3.960 0.000 0.000 0.260 385 G C 0.533 175.415 174.900 -0.030 0.000 1.238 385 G CA -0.287 44.797 45.100 -0.027 0.000 0.934 385 G HN -0.056 nan 8.290 nan 0.000 0.534 386 D N -0.238 120.145 120.400 -0.029 0.000 2.317 386 D HA 0.011 4.651 4.640 0.000 0.000 0.211 386 D C 2.500 178.777 176.300 -0.037 0.000 0.966 386 D CA 0.937 54.917 54.000 -0.033 0.000 0.876 386 D CB 0.139 40.919 40.800 -0.033 0.000 0.927 386 D HN 0.331 nan 8.370 nan 0.000 0.519 387 A N 0.488 123.289 122.820 -0.032 0.000 1.929 387 A HA -0.082 4.238 4.320 0.000 0.000 0.216 387 A C 2.436 180.001 177.584 -0.031 0.000 1.176 387 A CA 0.716 52.733 52.037 -0.032 0.000 0.628 387 A CB -0.529 18.455 19.000 -0.026 0.000 0.816 387 A HN 0.114 nan 8.150 nan 0.000 0.444 388 V N 0.336 120.233 119.914 -0.028 0.000 2.407 388 V HA -0.244 3.876 4.120 0.000 0.000 0.248 388 V C 2.546 178.623 176.094 -0.028 0.000 1.055 388 V CA 1.779 64.065 62.300 -0.024 0.000 1.049 388 V CB -0.698 31.112 31.823 -0.021 0.000 0.662 388 V HN 0.553 nan 8.190 nan 0.000 0.455 389 L N -0.157 121.045 121.223 -0.034 0.000 2.017 389 L HA -0.172 4.168 4.340 0.000 0.000 0.208 389 L C 2.765 179.608 176.870 -0.046 0.000 1.073 389 L CA 1.784 56.601 54.840 -0.038 0.000 0.745 389 L CB -0.864 41.171 42.059 -0.041 0.000 0.894 389 L HN 0.382 nan 8.230 nan 0.000 0.432 390 A N 0.147 122.936 122.820 -0.051 0.000 1.877 390 A HA -0.213 4.107 4.320 0.000 0.000 0.216 390 A C 2.053 179.606 177.584 -0.052 0.000 1.186 390 A CA 1.847 53.848 52.037 -0.061 0.000 0.620 390 A CB -0.618 18.343 19.000 -0.066 0.000 0.822 390 A HN 0.433 nan 8.150 nan 0.000 0.443 391 N N -0.429 118.245 118.700 -0.043 0.000 2.120 391 N HA -0.180 4.560 4.740 0.000 0.000 0.188 391 N C 1.913 177.401 175.510 -0.038 0.000 1.024 391 N CA 1.542 54.569 53.050 -0.038 0.000 0.852 391 N CB -0.475 37.993 38.487 -0.031 0.000 1.003 391 N HN 0.667 nan 8.380 nan 0.000 0.424 392 R N 1.407 121.888 120.500 -0.033 0.000 2.092 392 R HA -0.022 4.318 4.340 0.000 0.000 0.231 392 R C 2.214 178.488 176.300 -0.043 0.000 1.119 392 R CA 0.989 57.072 56.100 -0.029 0.000 0.970 392 R CB -0.089 30.202 30.300 -0.016 0.000 0.864 392 R HN 0.134 nan 8.270 nan 0.000 0.440 393 R N -0.159 120.310 120.500 -0.051 0.000 2.075 393 R HA -0.075 4.265 4.340 0.000 0.000 0.232 393 R C 2.063 178.324 176.300 -0.065 0.000 1.126 393 R CA 1.459 57.520 56.100 -0.065 0.000 0.963 393 R CB -0.030 30.227 30.300 -0.071 0.000 0.858 393 R HN 0.221 nan 8.270 nan 0.000 0.435 394 M N 0.485 120.051 119.600 -0.058 0.000 2.200 394 M HA -0.094 4.386 4.480 0.000 0.000 0.265 394 M C 2.261 178.528 176.300 -0.054 0.000 1.066 394 M CA 1.249 56.516 55.300 -0.055 0.000 1.127 394 M CB -0.752 31.818 32.600 -0.050 0.000 1.379 394 M HN 0.208 nan 8.290 nan 0.000 0.420 395 L N 0.300 121.492 121.223 -0.052 0.000 2.056 395 L HA -0.228 4.112 4.340 0.000 0.000 0.207 395 L C 2.205 179.038 176.870 -0.062 0.000 1.078 395 L CA 0.974 55.781 54.840 -0.055 0.000 0.749 395 L CB -0.662 41.367 42.059 -0.050 0.000 0.901 395 L HN 0.318 nan 8.230 nan 0.000 0.433 396 N N -0.027 118.636 118.700 -0.062 0.000 2.223 396 N HA -0.187 4.553 4.740 0.000 0.000 0.185 396 N C 1.851 177.318 175.510 -0.071 0.000 1.016 396 N CA 1.073 54.081 53.050 -0.070 0.000 0.863 396 N CB -0.247 38.191 38.487 -0.082 0.000 0.983 396 N HN 0.315 nan 8.380 nan 0.000 0.429 397 L N 0.424 121.606 121.223 -0.068 0.000 2.093 397 L HA -0.084 4.256 4.340 0.000 0.000 0.208 397 L C 2.026 178.866 176.870 -0.049 0.000 1.085 397 L CA 1.127 55.931 54.840 -0.060 0.000 0.755 397 L CB -0.173 41.851 42.059 -0.058 0.000 0.904 397 L HN 0.094 nan 8.230 nan 0.000 0.435 398 A N -0.872 121.917 122.820 -0.052 0.000 1.930 398 A HA -0.159 4.161 4.320 0.000 0.000 0.215 398 A C 1.756 179.307 177.584 -0.055 0.000 1.176 398 A CA 1.435 53.443 52.037 -0.050 0.000 0.632 398 A CB -0.409 18.559 19.000 -0.052 0.000 0.819 398 A HN 0.431 nan 8.150 nan 0.000 0.445 399 D N -0.550 119.809 120.400 -0.067 0.000 2.269 399 D HA 0.032 4.672 4.640 0.000 0.000 0.208 399 D C 0.569 176.834 176.300 -0.058 0.000 0.963 399 D CA 0.906 54.858 54.000 -0.080 0.000 0.864 399 D CB 0.197 40.935 40.800 -0.104 0.000 0.936 399 D HN 0.665 nan 8.370 nan 0.000 0.505 400 E N -0.008 120.166 120.200 -0.043 0.000 2.367 400 E HA 0.205 4.555 4.350 0.000 0.000 0.292 400 E C -1.080 175.516 176.600 -0.006 0.000 0.900 400 E CA -0.348 56.041 56.400 -0.020 0.000 0.807 400 E CB 1.080 30.764 29.700 -0.027 0.000 1.337 400 E HN -0.006 nan 8.360 nan 0.000 0.394 401 S N 3.125 118.834 115.700 0.015 0.000 2.632 401 S HA 0.392 4.862 4.470 0.000 0.000 0.271 401 S C -1.834 172.805 174.600 0.066 0.000 1.260 401 S CA -1.000 57.214 58.200 0.024 0.000 1.010 401 S CB 1.446 64.657 63.200 0.018 0.000 0.965 401 S HN 0.347 nan 8.310 nan 0.000 0.534 402 P HA -0.094 nan 4.420 nan 0.000 0.215 402 P C 0.768 178.140 177.300 0.121 0.000 1.157 402 P CA 1.244 64.405 63.100 0.101 0.000 0.874 402 P CB -0.007 31.729 31.700 0.059 0.000 0.790 403 D N -1.192 119.251 120.400 0.072 0.000 2.117 403 D HA -0.090 4.550 4.640 0.000 0.000 0.197 403 D C 2.211 178.547 176.300 0.060 0.000 0.987 403 D CA 1.628 55.659 54.000 0.052 0.000 0.829 403 D CB -1.028 39.789 40.800 0.028 0.000 0.961 403 D HN 0.108 nan 8.370 nan 0.000 0.460 404 G N 0.265 109.109 108.800 0.073 0.000 2.480 404 G HA2 -0.301 3.659 3.960 0.000 0.000 0.216 404 G HA3 -0.301 3.659 3.960 0.000 0.000 0.216 404 G C 1.544 176.504 174.900 0.100 0.000 1.200 404 G CA 0.580 45.725 45.100 0.074 0.000 0.782 404 G HN 0.271 nan 8.290 nan 0.000 0.554 405 F N 1.525 121.458 119.950 -0.028 0.000 2.126 405 F HA -0.052 4.475 4.527 0.000 0.000 0.299 405 F C 2.692 178.476 175.800 -0.027 0.000 1.096 405 F CA 2.032 59.992 58.000 -0.066 0.000 1.255 405 F CB -0.222 38.708 39.000 -0.116 0.000 0.997 405 F HN 0.085 nan 8.300 nan 0.000 0.479 406 R N 0.192 120.673 120.500 -0.031 0.000 2.070 406 R HA -0.128 4.212 4.340 0.000 0.000 0.233 406 R C 2.436 178.659 176.300 -0.129 0.000 1.137 406 R CA 1.388 57.415 56.100 -0.120 0.000 0.945 406 R CB -0.737 29.565 30.300 0.004 0.000 0.845 406 R HN 0.369 nan 8.270 nan 0.000 0.430 407 A N -0.086 122.704 122.820 -0.050 0.000 1.902 407 A HA -0.235 4.085 4.320 0.000 0.000 0.217 407 A C 2.034 179.594 177.584 -0.039 0.000 1.181 407 A CA 1.462 53.476 52.037 -0.038 0.000 0.623 407 A CB -0.882 18.116 19.000 -0.003 0.000 0.818 407 A HN 0.640 nan 8.150 nan 0.000 0.443 408 Y N -0.369 119.841 120.300 -0.151 0.000 2.163 408 Y HA -0.191 4.359 4.550 0.000 0.000 0.288 408 Y C 2.280 178.075 175.900 -0.174 0.000 1.136 408 Y CA 2.068 60.083 58.100 -0.142 0.000 1.147 408 Y CB -0.153 38.211 38.460 -0.161 0.000 0.987 408 Y HN 0.203 nan 8.280 nan 0.000 0.509 409 M N 0.132 119.628 119.600 -0.172 0.000 2.358 409 M HA -0.137 4.343 4.480 0.000 0.000 0.264 409 M C 2.279 178.500 176.300 -0.131 0.000 1.064 409 M CA 1.313 56.460 55.300 -0.254 0.000 1.093 409 M CB -1.716 30.540 32.600 -0.574 0.000 1.401 409 M HN 0.516 nan 8.290 nan 0.000 0.440 410 A N 0.200 122.933 122.820 -0.145 0.000 1.841 410 A HA -0.112 4.208 4.320 0.000 0.000 0.214 410 A C 2.055 179.578 177.584 -0.102 0.000 1.195 410 A CA 1.284 53.253 52.037 -0.113 0.000 0.611 410 A CB -0.432 18.501 19.000 -0.112 0.000 0.835 410 A HN 0.358 nan 8.150 nan 0.000 0.443 411 E N -0.737 119.383 120.200 -0.132 0.000 2.153 411 E HA -0.150 4.200 4.350 0.000 0.000 0.194 411 E C 1.670 178.174 176.600 -0.160 0.000 0.988 411 E CA 0.852 57.167 56.400 -0.142 0.000 0.811 411 E CB -0.565 29.040 29.700 -0.158 0.000 0.746 411 E HN 0.668 nan 8.360 nan 0.000 0.466 412 F N 1.887 121.621 119.950 -0.361 0.000 2.095 412 F HA -0.220 4.307 4.527 0.000 0.000 0.298 412 F C 2.270 177.970 175.800 -0.166 0.000 1.104 412 F CA 1.567 59.370 58.000 -0.329 0.000 1.232 412 F CB -0.388 38.379 39.000 -0.390 0.000 0.987 412 F HN 0.015 nan 8.300 nan 0.000 0.475 413 A N 0.251 123.063 122.820 -0.012 0.000 1.903 413 A HA -0.257 4.063 4.320 0.000 0.000 0.219 413 A C 2.107 179.611 177.584 -0.134 0.000 1.191 413 A CA 2.277 54.289 52.037 -0.042 0.000 0.638 413 A CB -1.284 17.720 19.000 0.006 0.000 0.823 413 A HN 0.518 nan 8.150 nan 0.000 0.451 414 L N -1.516 119.628 121.223 -0.130 0.000 2.071 414 L HA 0.016 4.356 4.340 0.000 0.000 0.201 414 L C 2.413 179.185 176.870 -0.162 0.000 1.076 414 L CA 1.684 56.459 54.840 -0.110 0.000 0.755 414 L CB -0.603 41.411 42.059 -0.074 0.000 0.915 414 L HN 0.281 nan 8.230 nan 0.000 0.445 415 M N -0.691 118.787 119.600 -0.205 0.000 2.089 415 M HA -0.284 4.196 4.480 0.000 0.000 0.257 415 M C 2.364 178.493 176.300 -0.285 0.000 1.071 415 M CA 1.805 56.976 55.300 -0.215 0.000 1.096 415 M CB -1.334 31.136 32.600 -0.217 0.000 1.330 415 M HN 0.389 nan 8.290 nan 0.000 0.403 416 Q N -0.255 119.255 119.800 -0.483 0.000 2.119 416 Q HA 0.031 4.371 4.340 0.000 0.000 0.201 416 Q C 2.034 177.876 176.000 -0.264 0.000 0.972 416 Q CA 1.922 57.430 55.803 -0.492 0.000 0.847 416 Q CB -0.316 27.795 28.738 -1.045 0.000 0.903 416 Q HN 0.489 nan 8.270 nan 0.000 0.433 417 A N 0.138 122.840 122.820 -0.196 0.000 1.883 417 A HA -0.185 4.135 4.320 0.000 0.000 0.217 417 A C 2.032 179.639 177.584 0.038 0.000 1.186 417 A CA 1.561 53.581 52.037 -0.028 0.000 0.624 417 A CB -0.839 18.162 19.000 0.000 0.000 0.822 417 A HN 0.448 nan 8.150 nan 0.000 0.444 418 L N -1.163 120.042 121.223 -0.030 0.000 2.056 418 L HA -0.163 4.177 4.340 0.000 0.000 0.207 418 L C 2.792 179.650 176.870 -0.021 0.000 1.078 418 L CA 1.014 55.848 54.840 -0.010 0.000 0.749 418 L CB -0.492 41.539 42.059 -0.047 0.000 0.901 418 L HN 0.269 nan 8.230 nan 0.000 0.433 419 R N -0.026 120.430 120.500 -0.074 0.000 2.115 419 R HA -0.088 4.252 4.340 0.000 0.000 0.230 419 R C 2.050 178.286 176.300 -0.106 0.000 1.111 419 R CA 0.873 56.923 56.100 -0.083 0.000 0.976 419 R CB -0.878 29.362 30.300 -0.100 0.000 0.870 419 R HN 0.244 nan 8.270 nan 0.000 0.445 420 L N -0.093 121.049 121.223 -0.135 0.000 2.456 420 L HA -0.097 4.243 4.340 0.000 0.000 0.224 420 L C 0.432 176.984 176.870 -0.530 0.000 1.148 420 L CA 1.550 56.218 54.840 -0.286 0.000 0.825 420 L CB -0.146 41.743 42.059 -0.282 0.000 0.937 420 L HN 0.073 nan 8.230 nan 0.000 0.450 421 Y N -1.399 118.841 120.300 -0.100 0.000 2.719 421 Y HA 0.470 5.020 4.550 0.000 0.000 0.251 421 Y C 1.133 176.927 175.900 -0.178 0.000 1.159 421 Y CA -0.465 57.562 58.100 -0.122 0.000 1.166 421 Y CB 0.097 38.479 38.460 -0.131 0.000 1.219 421 Y HN -0.002 nan 8.280 nan 0.000 0.551 422 G N -0.618 108.140 108.800 -0.069 0.000 2.390 422 G HA2 0.091 4.051 3.960 0.000 0.000 0.270 422 G HA3 0.091 4.051 3.960 0.000 0.000 0.270 422 G C 0.426 175.278 174.900 -0.079 0.000 1.211 422 G CA -0.163 44.869 45.100 -0.113 0.000 0.842 422 G HN 0.364 nan 8.290 nan 0.000 0.519 423 H N 1.672 120.763 119.070 0.034 0.000 2.390 423 H HA -0.163 4.393 4.556 0.000 0.000 0.298 423 H C 2.291 177.629 175.328 0.016 0.000 1.106 423 H CA 1.879 57.946 56.048 0.030 0.000 1.297 423 H CB 0.086 29.869 29.762 0.035 0.000 1.375 423 H HN 0.769 nan 8.280 nan 0.000 0.509 424 D N 0.772 121.244 120.400 0.119 0.000 2.144 424 D HA -0.096 4.544 4.640 0.000 0.000 0.199 424 D C 2.165 178.486 176.300 0.037 0.000 0.984 424 D CA 0.796 54.837 54.000 0.067 0.000 0.834 424 D CB -0.619 40.208 40.800 0.045 0.000 0.955 424 D HN 0.194 nan 8.370 nan 0.000 0.465 425 V N 1.199 121.121 119.914 0.013 0.000 2.323 425 V HA -0.163 3.958 4.120 0.000 0.000 0.244 425 V C 2.826 178.914 176.094 -0.010 0.000 1.041 425 V CA 0.965 63.257 62.300 -0.014 0.000 1.025 425 V CB -0.377 31.416 31.823 -0.050 0.000 0.656 425 V HN 0.161 nan 8.190 nan 0.000 0.451 426 I N 0.122 120.692 120.570 -0.000 0.000 2.151 426 I HA -0.291 3.879 4.170 0.000 0.000 0.243 426 I C 2.493 178.629 176.117 0.031 0.000 1.080 426 I CA 2.061 63.367 61.300 0.009 0.000 1.339 426 I CB -0.488 37.542 38.000 0.049 0.000 1.039 426 I HN 0.422 nan 8.210 nan 0.000 0.409 427 D N 1.343 121.774 120.400 0.052 0.000 2.087 427 D HA -0.249 4.391 4.640 0.000 0.000 0.192 427 D C 2.322 178.646 176.300 0.039 0.000 0.993 427 D CA 2.512 56.539 54.000 0.046 0.000 0.828 427 D CB 0.124 40.954 40.800 0.049 0.000 0.968 427 D HN 0.270 nan 8.370 nan 0.000 0.448 428 K N 0.787 121.208 120.400 0.034 0.000 2.020 428 K HA -0.139 4.181 4.320 0.000 0.000 0.212 428 K C 2.530 179.159 176.600 0.048 0.000 1.050 428 K CA 1.877 58.186 56.287 0.037 0.000 0.929 428 K CB -1.432 31.081 32.500 0.023 0.000 0.714 428 K HN 0.182 nan 8.250 nan 0.000 0.443 429 V N 0.929 120.859 119.914 0.027 0.000 2.453 429 V HA -0.180 3.940 4.120 0.000 0.000 0.252 429 V C 2.736 178.874 176.094 0.074 0.000 1.068 429 V CA 1.916 64.234 62.300 0.031 0.000 1.070 429 V CB -1.046 30.768 31.823 -0.015 0.000 0.664 429 V HN 0.741 nan 8.190 nan 0.000 0.461 430 G N -0.438 108.395 108.800 0.056 0.000 2.559 430 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 430 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 430 G C 1.614 176.554 174.900 0.066 0.000 1.126 430 G CA 0.143 45.277 45.100 0.057 0.000 0.778 430 G HN 0.503 nan 8.290 nan 0.000 0.543 431 R N -1.272 119.277 120.500 0.082 0.000 2.312 431 R HA 0.246 4.586 4.340 0.000 0.000 0.205 431 R C 0.554 176.907 176.300 0.088 0.000 0.904 431 R CA -0.638 55.503 56.100 0.068 0.000 1.052 431 R CB 0.102 30.436 30.300 0.057 0.000 1.014 431 R HN 0.347 nan 8.270 nan 0.000 0.503 432 F N 0.000 119.948 119.950 -0.003 0.000 2.286 432 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 432 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 432 F CB 0.000 38.991 39.000 -0.014 0.000 1.145 432 F HN 0.000 nan 8.300 nan 0.000 0.574