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 3k70_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLQKQLLEA VEHKQLRPLD VQFALTVAGD EHPAVTLAAA LLSHDAGEGH DATA SEQUENCE VCLPLSRLEN NEASHPLLAT CVSEIGELQN WEECLLASQA VSRGDEPTPM DATA SEQUENCE ILCGDRLYLN RMWCNERTVA RFFNEVNHAI EVDEALLAQT LDKLFPVSDE DATA SEQUENCE INWQKVAAAV ALTRRISVIS GGPGTGKTTT VAKLLAALIQ MADGERCRIR DATA SEQUENCE LAAPTGKAAA RLTESLGKAL RQLPLTDEQK KRIPEDASTL HRLLGAQPXX DATA SEQUENCE QRLRHHAGNP LHLDVLVVDE ASMIDLPMMS RLIDALPDHA RVIFLGDRDQ DATA SEQUENCE LASVEAGAVL GDICAYANAG FTAERARQLS RLTGTHVPAG TGTEAASLRD DATA SEQUENCE SLCLLQKSYR FGSDSGIGQL AAAINRGDKT AVKTVFQQDF TDIEKRLLQS DATA SEQUENCE GEDYIAMLEE ALAGYGRYLD LLQARAEPDL IIQAFNEYQL LCALREGPFG DATA SEQUENCE VAGLNERIEQ FMQQKRXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXPSRLPEH ETTWAMTVHK SQGSEFDHAA DATA SEQUENCE LILPSQRTPV VTRELVYTAV TRARRRLSLY ADERILSAAI ATRTERRSGL DATA SEQUENCE AALFSS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.291 55.300 -0.015 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.016 0.000 1.302 2 K N -0.570 119.818 120.400 -0.020 0.000 2.325 2 K HA 0.336 4.656 4.320 0.001 0.000 0.139 2 K C 0.310 176.897 176.600 -0.022 0.000 2.050 2 K CA 0.547 56.819 56.287 -0.024 0.000 1.231 2 K CB 1.859 34.346 32.500 -0.021 0.000 2.204 2 K HN 0.605 nan 8.250 nan 0.000 0.512 3 L N -0.150 121.064 121.223 -0.014 0.000 1.298 3 L HA -0.177 4.163 4.340 0.001 0.000 0.501 3 L C 1.477 178.346 176.870 -0.001 0.000 0.777 3 L CA 0.785 55.621 54.840 -0.007 0.000 2.346 3 L CB -0.511 41.546 42.059 -0.003 0.000 1.177 3 L HN 0.123 nan 8.230 nan 0.000 0.527 4 Q N 1.301 121.100 119.800 -0.001 0.000 2.028 4 Q HA -0.366 3.974 4.340 0.001 0.000 0.215 4 Q C 1.603 177.607 176.000 0.007 0.000 1.041 4 Q CA 3.627 59.432 55.803 0.004 0.000 0.897 4 Q CB -0.077 28.662 28.738 0.001 0.000 1.017 4 Q HN 0.505 nan 8.270 nan 0.000 0.418 5 K N -0.430 119.972 120.400 0.004 0.000 2.052 5 K HA -0.289 4.032 4.320 0.001 0.000 0.215 5 K C 2.242 178.844 176.600 0.004 0.000 1.053 5 K CA 2.233 58.523 56.287 0.005 0.000 0.934 5 K CB -0.310 32.190 32.500 0.001 0.000 0.717 5 K HN 0.460 nan 8.250 nan 0.000 0.450 6 Q N 0.645 120.445 119.800 -0.002 0.000 2.061 6 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 6 Q C 2.407 178.405 176.000 -0.003 0.000 0.984 6 Q CA 1.425 57.222 55.803 -0.008 0.000 0.846 6 Q CB -0.400 28.334 28.738 -0.006 0.000 0.902 6 Q HN 0.358 nan 8.270 nan 0.000 0.421 7 L N 0.530 121.759 121.223 0.009 0.000 1.976 7 L HA -0.206 4.134 4.340 0.001 0.000 0.209 7 L C 2.565 179.451 176.870 0.025 0.000 1.071 7 L CA 1.014 55.864 54.840 0.018 0.000 0.746 7 L CB -0.639 41.436 42.059 0.026 0.000 0.890 7 L HN 0.173 nan 8.230 nan 0.000 0.432 8 L N -0.293 120.946 121.223 0.027 0.000 2.137 8 L HA -0.281 4.060 4.340 0.001 0.000 0.213 8 L C 2.608 179.508 176.870 0.049 0.000 1.085 8 L CA 1.399 56.260 54.840 0.036 0.000 0.760 8 L CB -0.500 41.577 42.059 0.030 0.000 0.893 8 L HN 0.378 nan 8.230 nan 0.000 0.434 9 E N -0.013 120.213 120.200 0.043 0.000 2.150 9 E HA -0.200 4.150 4.350 0.001 0.000 0.193 9 E C 2.238 178.895 176.600 0.095 0.000 0.985 9 E CA 0.859 57.303 56.400 0.072 0.000 0.814 9 E CB 0.020 29.728 29.700 0.013 0.000 0.752 9 E HN 0.486 nan 8.360 nan 0.000 0.466 10 A N 0.337 123.178 122.820 0.036 0.000 2.024 10 A HA -0.135 4.185 4.320 0.001 0.000 0.220 10 A C 2.224 179.850 177.584 0.070 0.000 1.164 10 A CA 1.197 53.253 52.037 0.032 0.000 0.643 10 A CB -0.271 18.730 19.000 0.001 0.000 0.806 10 A HN 0.209 nan 8.150 nan 0.000 0.451 11 V N -0.408 119.549 119.914 0.072 0.000 2.535 11 V HA -0.160 3.960 4.120 0.001 0.000 0.246 11 V C 2.258 178.398 176.094 0.077 0.000 1.045 11 V CA 1.611 63.951 62.300 0.067 0.000 1.058 11 V CB -0.684 31.172 31.823 0.054 0.000 0.689 11 V HN 0.589 nan 8.190 nan 0.000 0.461 12 E N 0.186 120.450 120.200 0.107 0.000 2.033 12 E HA -0.238 4.112 4.350 0.001 0.000 0.199 12 E C 1.399 178.019 176.600 0.035 0.000 1.011 12 E CA 1.675 58.123 56.400 0.080 0.000 0.815 12 E CB -0.234 29.556 29.700 0.150 0.000 0.755 12 E HN 0.686 nan 8.360 nan 0.000 0.451 13 H N 0.950 120.024 119.070 0.007 0.000 2.842 13 H HA 0.139 4.696 4.556 0.001 0.000 0.312 13 H C -0.399 174.933 175.328 0.007 0.000 1.137 13 H CA 0.059 56.110 56.048 0.006 0.000 1.176 13 H CB -0.685 29.079 29.762 0.004 0.000 1.361 13 H HN 0.048 nan 8.280 nan 0.000 0.557 14 K N 1.170 121.620 120.400 0.082 0.000 3.585 14 K HA -0.289 4.032 4.320 0.001 0.000 0.272 14 K C -0.012 176.625 176.600 0.062 0.000 0.828 14 K CA 0.792 57.115 56.287 0.060 0.000 0.631 14 K CB -0.872 31.651 32.500 0.039 0.000 1.636 14 K HN 0.732 nan 8.250 nan 0.000 0.448 15 Q N 0.679 120.510 119.800 0.052 0.000 2.354 15 Q HA 0.385 4.725 4.340 0.001 0.000 0.372 15 Q C -0.669 175.284 176.000 -0.079 0.000 0.923 15 Q CA -0.882 54.920 55.803 -0.001 0.000 1.123 15 Q CB 0.022 28.757 28.738 -0.005 0.000 1.298 15 Q HN 0.326 nan 8.270 nan 0.000 0.419 16 L N -2.736 118.482 121.223 -0.007 0.000 5.678 16 L HA 0.075 4.416 4.340 0.001 0.000 0.235 16 L C -0.946 175.970 176.870 0.077 0.000 1.214 16 L CA -0.851 54.010 54.840 0.034 0.000 0.723 16 L CB -0.576 41.442 42.059 -0.068 0.000 1.435 16 L HN 0.381 nan 8.230 nan 0.000 0.203 17 R N 3.366 123.930 120.500 0.107 0.000 2.893 17 R HA 0.440 4.780 4.340 0.001 0.000 0.279 17 R C -1.775 174.569 176.300 0.074 0.000 1.076 17 R CA -0.452 55.695 56.100 0.078 0.000 1.203 17 R CB -0.175 30.166 30.300 0.069 0.000 1.137 17 R HN 0.594 nan 8.270 nan 0.000 0.541 18 P HA -0.212 nan 4.420 nan 0.000 0.215 18 P C 1.737 179.084 177.300 0.078 0.000 1.153 18 P CA 1.248 64.386 63.100 0.062 0.000 0.853 18 P CB -0.081 31.648 31.700 0.049 0.000 0.788 19 L N 0.140 121.408 121.223 0.074 0.000 2.043 19 L HA -0.204 4.136 4.340 0.001 0.000 0.212 19 L C 2.020 178.968 176.870 0.130 0.000 1.075 19 L CA 2.137 57.030 54.840 0.088 0.000 0.752 19 L CB -0.735 41.356 42.059 0.053 0.000 0.891 19 L HN -0.078 nan 8.230 nan 0.000 0.432 20 D N -0.697 119.773 120.400 0.116 0.000 2.084 20 D HA -0.212 4.428 4.640 0.001 0.000 0.194 20 D C 2.098 178.513 176.300 0.192 0.000 0.990 20 D CA 1.745 55.836 54.000 0.152 0.000 0.826 20 D CB -0.559 40.326 40.800 0.142 0.000 0.971 20 D HN 0.410 nan 8.370 nan 0.000 0.453 21 V N 0.947 120.940 119.914 0.132 0.000 2.427 21 V HA -0.202 3.918 4.120 0.001 0.000 0.248 21 V C 2.089 178.244 176.094 0.101 0.000 1.051 21 V CA 1.565 63.929 62.300 0.106 0.000 1.048 21 V CB -0.096 31.770 31.823 0.070 0.000 0.666 21 V HN 0.032 nan 8.190 nan 0.000 0.456 22 Q N -0.316 119.550 119.800 0.111 0.000 2.046 22 Q HA -0.155 4.185 4.340 0.001 0.000 0.200 22 Q C 2.110 178.173 176.000 0.105 0.000 0.975 22 Q CA 2.267 58.124 55.803 0.090 0.000 0.836 22 Q CB -0.749 28.043 28.738 0.088 0.000 0.896 22 Q HN 0.791 nan 8.270 nan 0.000 0.428 23 F N 1.516 121.483 119.950 0.029 0.000 2.120 23 F HA -0.236 4.292 4.527 0.000 0.000 0.300 23 F C 2.091 177.907 175.800 0.028 0.000 1.095 23 F CA 1.625 59.643 58.000 0.030 0.000 1.249 23 F CB -0.249 38.773 39.000 0.037 0.000 0.995 23 F HN 0.049 nan 8.300 nan 0.000 0.480 24 A N 0.655 123.505 122.820 0.049 0.000 1.898 24 A HA -0.096 4.224 4.320 0.001 0.000 0.216 24 A C 2.269 179.781 177.584 -0.122 0.000 1.181 24 A CA 1.752 53.758 52.037 -0.053 0.000 0.620 24 A CB -1.130 17.928 19.000 0.097 0.000 0.819 24 A HN 0.507 nan 8.150 nan 0.000 0.442 25 L N -0.143 121.042 121.223 -0.062 0.000 2.027 25 L HA -0.151 4.189 4.340 0.001 0.000 0.206 25 L C 2.932 179.747 176.870 -0.093 0.000 1.074 25 L CA 1.846 56.652 54.840 -0.057 0.000 0.745 25 L CB -0.814 41.234 42.059 -0.019 0.000 0.898 25 L HN 0.612 nan 8.230 nan 0.000 0.433 26 T N -4.116 110.368 114.554 -0.117 0.000 2.995 26 T HA -0.033 4.318 4.350 0.001 0.000 0.269 26 T C 1.602 176.194 174.700 -0.179 0.000 1.091 26 T CA 0.710 62.738 62.100 -0.120 0.000 1.128 26 T CB -0.143 68.673 68.868 -0.086 0.000 0.891 26 T HN 0.100 nan 8.240 nan 0.000 0.492 27 V N 0.073 119.805 119.914 -0.304 0.000 3.125 27 V HA 0.473 4.593 4.120 0.001 0.000 0.249 27 V C 2.299 178.267 176.094 -0.210 0.000 1.113 27 V CA 0.903 63.005 62.300 -0.329 0.000 1.106 27 V CB -0.019 31.411 31.823 -0.654 0.000 0.768 27 V HN 0.693 nan 8.190 nan 0.000 0.468 28 A N -0.868 121.846 122.820 -0.177 0.000 2.113 28 A HA 0.568 4.888 4.320 0.001 0.000 0.211 28 A C 2.122 179.659 177.584 -0.077 0.000 2.359 28 A CA 1.164 53.138 52.037 -0.106 0.000 1.274 28 A CB -0.935 18.014 19.000 -0.085 0.000 1.160 28 A HN 0.814 nan 8.150 nan 0.000 0.585 29 G N -0.074 108.688 108.800 -0.063 0.000 3.504 29 G HA2 -0.414 3.546 3.960 0.001 0.000 0.225 29 G HA3 -0.414 3.546 3.960 0.001 0.000 0.225 29 G C 0.536 175.412 174.900 -0.040 0.000 1.582 29 G CA 1.470 46.542 45.100 -0.046 0.000 1.579 29 G HN 0.513 nan 8.290 nan 0.000 0.706 30 D N 2.406 122.780 120.400 -0.043 0.000 2.395 30 D HA 0.321 4.961 4.640 0.001 0.000 0.226 30 D C 0.851 177.130 176.300 -0.035 0.000 1.146 30 D CA 0.383 54.361 54.000 -0.038 0.000 0.830 30 D CB 0.257 41.035 40.800 -0.036 0.000 0.958 30 D HN 0.690 nan 8.370 nan 0.000 0.501 31 E N -0.484 119.697 120.200 -0.031 0.000 2.392 31 E HA 0.125 4.475 4.350 0.001 0.000 0.269 31 E C -0.233 176.375 176.600 0.014 0.000 0.924 31 E CA -0.948 55.443 56.400 -0.014 0.000 0.784 31 E CB 1.706 31.393 29.700 -0.022 0.000 1.292 31 E HN 0.070 nan 8.360 nan 0.000 0.447 32 H N 4.008 123.028 119.070 -0.083 0.000 3.221 32 H HA -0.074 4.482 4.556 0.000 0.000 0.272 32 H C -1.465 173.801 175.328 -0.104 0.000 0.865 32 H CA -0.488 55.501 56.048 -0.098 0.000 1.419 32 H CB 0.509 30.195 29.762 -0.127 0.000 1.377 32 H HN 0.325 nan 8.280 nan 0.000 0.535 33 P HA -0.256 nan 4.420 nan 0.000 0.219 33 P C 1.131 178.477 177.300 0.078 0.000 1.145 33 P CA 1.882 65.020 63.100 0.063 0.000 0.813 33 P CB 0.021 31.730 31.700 0.014 0.000 0.771 34 A N 0.901 123.805 122.820 0.140 0.000 1.841 34 A HA -0.180 4.140 4.320 0.001 0.000 0.216 34 A C 2.541 180.008 177.584 -0.196 0.000 1.199 34 A CA 2.797 54.730 52.037 -0.174 0.000 0.621 34 A CB -1.829 16.798 19.000 -0.622 0.000 0.835 34 A HN 0.186 nan 8.150 nan 0.000 0.445 35 V N -1.725 118.070 119.914 -0.198 0.000 2.370 35 V HA -0.265 3.855 4.120 0.001 0.000 0.252 35 V C 2.127 178.198 176.094 -0.039 0.000 1.068 35 V CA 3.118 65.343 62.300 -0.126 0.000 1.061 35 V CB -1.896 29.866 31.823 -0.101 0.000 0.656 35 V HN 0.491 nan 8.190 nan 0.000 0.455 36 T N 0.621 115.162 114.554 -0.022 0.000 2.652 36 T HA -0.126 4.224 4.350 0.001 0.000 0.267 36 T C 1.889 176.613 174.700 0.039 0.000 1.039 36 T CA 2.216 64.317 62.100 0.000 0.000 1.153 36 T CB -0.419 68.449 68.868 -0.001 0.000 0.863 36 T HN 0.481 nan 8.240 nan 0.000 0.428 37 L N 0.478 121.729 121.223 0.046 0.000 2.017 37 L HA -0.120 4.220 4.340 0.001 0.000 0.208 37 L C 2.883 179.826 176.870 0.122 0.000 1.073 37 L CA 1.446 56.336 54.840 0.083 0.000 0.745 37 L CB -0.691 41.426 42.059 0.096 0.000 0.894 37 L HN 0.298 nan 8.230 nan 0.000 0.432 38 A N 0.040 122.936 122.820 0.128 0.000 1.869 38 A HA -0.349 3.972 4.320 0.001 0.000 0.218 38 A C 2.417 180.105 177.584 0.173 0.000 1.203 38 A CA 2.412 54.559 52.037 0.184 0.000 0.638 38 A CB -1.149 17.941 19.000 0.150 0.000 0.831 38 A HN 0.568 nan 8.150 nan 0.000 0.450 39 A N -0.680 122.240 122.820 0.167 0.000 1.978 39 A HA 0.150 4.470 4.320 0.001 0.000 0.220 39 A C 2.476 180.246 177.584 0.311 0.000 1.170 39 A CA 2.209 54.413 52.037 0.277 0.000 0.636 39 A CB -0.949 18.194 19.000 0.237 0.000 0.810 39 A HN 1.193 nan 8.150 nan 0.000 0.448 40 A N -0.324 122.626 122.820 0.217 0.000 1.898 40 A HA 0.011 4.331 4.320 0.001 0.000 0.216 40 A C 2.150 179.840 177.584 0.176 0.000 1.181 40 A CA 1.457 53.609 52.037 0.192 0.000 0.620 40 A CB -0.496 18.579 19.000 0.124 0.000 0.819 40 A HN 0.470 nan 8.150 nan 0.000 0.442 41 L N -0.953 120.367 121.223 0.162 0.000 2.131 41 L HA -0.083 4.257 4.340 0.001 0.000 0.206 41 L C 2.512 179.496 176.870 0.190 0.000 1.087 41 L CA 0.833 55.780 54.840 0.178 0.000 0.767 41 L CB -0.569 41.573 42.059 0.137 0.000 0.917 41 L HN 0.491 nan 8.230 nan 0.000 0.441 42 L N -0.327 120.985 121.223 0.148 0.000 1.971 42 L HA -0.252 4.088 4.340 0.001 0.000 0.215 42 L C 2.611 179.511 176.870 0.050 0.000 1.072 42 L CA 2.267 57.164 54.840 0.096 0.000 0.758 42 L CB -1.037 41.090 42.059 0.113 0.000 0.889 42 L HN 0.127 nan 8.230 nan 0.000 0.433 43 S N -2.042 113.674 115.700 0.027 0.000 2.440 43 S HA -0.264 4.206 4.470 0.001 0.000 0.238 43 S C 1.967 176.573 174.600 0.010 0.000 1.010 43 S CA 1.331 59.476 58.200 -0.092 0.000 0.972 43 S CB -0.617 62.484 63.200 -0.166 0.000 0.774 43 S HN 0.841 nan 8.310 nan 0.000 0.501 44 H N 1.409 120.483 119.070 0.006 0.000 2.260 44 H HA 0.028 4.584 4.556 0.001 0.000 0.304 44 H C 1.819 177.155 175.328 0.013 0.000 1.059 44 H CA 2.113 58.171 56.048 0.017 0.000 1.305 44 H CB -0.740 29.046 29.762 0.040 0.000 1.388 44 H HN 0.250 nan 8.280 nan 0.000 0.496 45 D N 0.627 120.947 120.400 -0.132 0.000 2.133 45 D HA -0.240 4.400 4.640 0.001 0.000 0.192 45 D C 2.219 178.446 176.300 -0.122 0.000 1.001 45 D CA 1.634 55.563 54.000 -0.118 0.000 0.844 45 D CB -0.809 40.059 40.800 0.114 0.000 0.944 45 D HN 0.571 nan 8.370 nan 0.000 0.447 46 A N 0.897 123.678 122.820 -0.064 0.000 1.917 46 A HA -0.148 4.173 4.320 0.001 0.000 0.219 46 A C 2.458 179.980 177.584 -0.104 0.000 1.182 46 A CA 2.515 54.515 52.037 -0.061 0.000 0.633 46 A CB -1.237 17.722 19.000 -0.068 0.000 0.819 46 A HN 0.338 nan 8.150 nan 0.000 0.448 47 G N -0.723 107.997 108.800 -0.134 0.000 2.450 47 G HA2 -0.207 3.753 3.960 0.001 0.000 0.220 47 G HA3 -0.207 3.753 3.960 0.001 0.000 0.220 47 G C 1.327 176.131 174.900 -0.160 0.000 1.130 47 G CA 0.963 45.988 45.100 -0.126 0.000 0.760 47 G HN 0.704 nan 8.290 nan 0.000 0.557 48 E N -0.420 119.629 120.200 -0.252 0.000 2.481 48 E HA 0.256 4.606 4.350 0.001 0.000 0.195 48 E C 1.887 178.318 176.600 -0.281 0.000 1.047 48 E CA 0.284 56.514 56.400 -0.284 0.000 0.867 48 E CB 0.131 29.592 29.700 -0.398 0.000 0.858 48 E HN 0.468 nan 8.360 nan 0.000 0.513 49 G N 1.040 109.714 108.800 -0.210 0.000 2.316 49 G HA2 -0.185 3.775 3.960 0.001 0.000 0.203 49 G HA3 -0.185 3.775 3.960 0.001 0.000 0.203 49 G C 0.088 174.945 174.900 -0.073 0.000 0.999 49 G CA -0.467 44.551 45.100 -0.136 0.000 0.649 49 G HN 0.246 nan 8.290 nan 0.000 0.489 50 H N 1.062 120.102 119.070 -0.051 0.000 3.034 50 H HA 0.294 4.850 4.556 0.001 0.000 0.324 50 H C 1.864 177.171 175.328 -0.034 0.000 1.015 50 H CA 0.793 56.812 56.048 -0.049 0.000 1.429 50 H CB 1.369 31.087 29.762 -0.073 0.000 1.429 50 H HN 0.064 nan 8.280 nan 0.000 0.585 51 V N 3.293 123.279 119.914 0.120 0.000 2.379 51 V HA -0.152 3.968 4.120 0.001 0.000 0.245 51 V C 1.456 177.594 176.094 0.073 0.000 1.044 51 V CA 1.742 64.107 62.300 0.108 0.000 1.036 51 V CB -0.208 31.700 31.823 0.141 0.000 0.664 51 V HN 0.932 nan 8.190 nan 0.000 0.453 52 C N -1.561 117.691 119.300 -0.079 0.000 3.161 52 C HA 0.758 5.218 4.460 0.001 0.000 0.330 52 C C -0.507 174.330 174.990 -0.255 0.000 1.396 52 C CA -1.122 57.688 59.018 -0.346 0.000 1.536 52 C CB 1.636 28.741 27.740 -1.057 0.000 1.978 52 C HN 0.231 nan 8.230 nan 0.000 0.454 53 L N 2.004 123.057 121.223 -0.284 0.000 2.377 53 L HA 0.531 4.871 4.340 0.001 0.000 0.270 53 L C -2.692 174.065 176.870 -0.187 0.000 0.991 53 L CA -1.516 53.218 54.840 -0.176 0.000 0.851 53 L CB 1.839 43.855 42.059 -0.071 0.000 1.218 53 L HN 0.582 nan 8.230 nan 0.000 0.420 54 P HA 0.009 nan 4.420 nan 0.000 0.267 54 P C 1.031 178.245 177.300 -0.144 0.000 1.209 54 P CA -0.308 62.693 63.100 -0.164 0.000 0.763 54 P CB 0.670 32.266 31.700 -0.173 0.000 0.816 55 L N 2.540 123.697 121.223 -0.109 0.000 2.189 55 L HA -0.189 4.151 4.340 0.001 0.000 0.214 55 L C 2.024 178.768 176.870 -0.211 0.000 1.097 55 L CA 2.322 57.091 54.840 -0.118 0.000 0.764 55 L CB -1.316 40.716 42.059 -0.046 0.000 0.900 55 L HN 0.409 nan 8.230 nan 0.000 0.436 56 S N -0.596 115.003 115.700 -0.169 0.000 2.345 56 S HA -0.227 4.243 4.470 0.001 0.000 0.220 56 S C 1.947 176.425 174.600 -0.204 0.000 1.031 56 S CA 0.512 58.609 58.200 -0.172 0.000 0.996 56 S CB -0.521 62.606 63.200 -0.122 0.000 0.882 56 S HN 0.345 nan 8.310 nan 0.000 0.445 57 R N 0.568 120.944 120.500 -0.205 0.000 2.395 57 R HA 0.231 4.571 4.340 0.001 0.000 0.203 57 R C 0.879 177.039 176.300 -0.234 0.000 1.076 57 R CA 0.398 56.361 56.100 -0.229 0.000 1.059 57 R CB -0.263 29.878 30.300 -0.265 0.000 0.860 57 R HN 0.467 nan 8.270 nan 0.000 0.476 58 L N -0.609 120.420 121.223 -0.323 0.000 3.135 58 L HA 0.232 4.573 4.340 0.001 0.000 0.279 58 L C -0.559 175.786 176.870 -0.875 0.000 1.200 58 L CA 0.115 54.634 54.840 -0.535 0.000 1.016 58 L CB 0.782 42.509 42.059 -0.552 0.000 1.391 58 L HN 0.009 nan 8.230 nan 0.000 0.588 59 E N 0.844 120.706 120.200 -0.564 0.000 2.255 59 E HA 0.194 4.544 4.350 0.001 0.000 0.245 59 E C -0.053 176.388 176.600 -0.264 0.000 0.909 59 E CA -0.271 55.817 56.400 -0.519 0.000 0.747 59 E CB 0.569 30.031 29.700 -0.398 0.000 1.215 59 E HN 0.108 nan 8.360 nan 0.000 0.424 60 N N 1.769 120.345 118.700 -0.206 0.000 2.853 60 N HA -0.260 4.481 4.740 0.001 0.000 0.239 60 N C 0.693 176.167 175.510 -0.059 0.000 0.967 60 N CA 1.011 54.006 53.050 -0.092 0.000 0.973 60 N CB -0.543 37.906 38.487 -0.063 0.000 1.104 60 N HN 0.472 nan 8.380 nan 0.000 0.602 61 N N 1.190 119.850 118.700 -0.067 0.000 2.376 61 N HA -0.066 4.674 4.740 0.001 0.000 0.177 61 N C 1.184 176.744 175.510 0.082 0.000 1.024 61 N CA 0.820 53.878 53.050 0.013 0.000 0.893 61 N CB -0.024 38.477 38.487 0.024 0.000 0.980 61 N HN 0.539 nan 8.380 nan 0.000 0.439 62 E N 0.522 120.737 120.200 0.026 0.000 2.485 62 E HA 0.051 4.402 4.350 0.001 0.000 0.194 62 E C 0.820 177.449 176.600 0.048 0.000 1.098 62 E CA -0.002 56.444 56.400 0.077 0.000 0.878 62 E CB -0.102 29.602 29.700 0.006 0.000 0.939 62 E HN 0.108 nan 8.360 nan 0.000 0.503 63 A N 1.122 123.954 122.820 0.020 0.000 2.208 63 A HA 0.052 4.372 4.320 0.001 0.000 0.209 63 A C 1.630 179.211 177.584 -0.005 0.000 1.161 63 A CA 0.651 52.693 52.037 0.008 0.000 0.782 63 A CB 0.031 19.030 19.000 -0.000 0.000 0.816 63 A HN 0.306 nan 8.150 nan 0.000 0.477 64 S N -2.107 113.584 115.700 -0.015 0.000 3.009 64 S HA 0.347 4.817 4.470 0.001 0.000 0.254 64 S C 0.354 174.859 174.600 -0.158 0.000 1.004 64 S CA -0.549 57.602 58.200 -0.082 0.000 1.119 64 S CB -0.104 63.028 63.200 -0.115 0.000 1.075 64 S HN 0.492 nan 8.310 nan 0.000 0.618 65 H N 1.895 120.957 119.070 -0.013 0.000 4.439 65 H HA 0.495 5.051 4.556 0.001 0.000 0.333 65 H C -2.476 172.853 175.328 0.002 0.000 1.354 65 H CA -0.537 55.507 56.048 -0.006 0.000 0.910 65 H CB -0.923 28.829 29.762 -0.017 0.000 1.131 65 H HN 0.084 nan 8.280 nan 0.000 0.641 66 P HA -0.048 nan 4.420 nan 0.000 0.257 66 P C 0.921 178.248 177.300 0.046 0.000 1.162 66 P CA 0.605 63.755 63.100 0.083 0.000 0.762 66 P CB 0.197 31.927 31.700 0.050 0.000 0.753 67 L N 2.233 123.470 121.223 0.024 0.000 2.671 67 L HA -0.148 4.192 4.340 0.001 0.000 0.236 67 L C 1.658 178.527 176.870 -0.001 0.000 1.178 67 L CA 0.912 55.757 54.840 0.008 0.000 0.829 67 L CB -0.640 41.418 42.059 -0.001 0.000 0.956 67 L HN 0.441 nan 8.230 nan 0.000 0.455 68 L N 0.154 121.378 121.223 0.003 0.000 3.001 68 L HA 0.186 4.526 4.340 0.001 0.000 0.234 68 L C 1.681 178.572 176.870 0.034 0.000 1.321 68 L CA -0.353 54.492 54.840 0.009 0.000 1.138 68 L CB 0.090 42.154 42.059 0.007 0.000 1.503 68 L HN 0.108 nan 8.230 nan 0.000 0.487 69 A N -0.825 122.014 122.820 0.032 0.000 2.251 69 A HA 0.043 4.363 4.320 0.001 0.000 0.209 69 A C 1.211 178.817 177.584 0.037 0.000 1.187 69 A CA 0.168 52.230 52.037 0.043 0.000 0.823 69 A CB -0.507 18.512 19.000 0.032 0.000 0.846 69 A HN 0.425 nan 8.150 nan 0.000 0.486 70 T N -2.126 112.442 114.554 0.023 0.000 2.779 70 T HA 0.468 4.818 4.350 0.001 0.000 0.296 70 T C -0.372 174.343 174.700 0.024 0.000 0.938 70 T CA -0.539 61.569 62.100 0.013 0.000 1.119 70 T CB 0.212 69.076 68.868 -0.007 0.000 0.891 70 T HN 0.265 nan 8.240 nan 0.000 0.526 71 C N 2.940 122.256 119.300 0.027 0.000 3.283 71 C HA 0.513 4.973 4.460 0.001 0.000 0.359 71 C C 1.117 176.124 174.990 0.028 0.000 1.160 71 C CA -0.337 58.702 59.018 0.034 0.000 1.232 71 C CB 1.413 29.190 27.740 0.060 0.000 1.571 71 C HN 0.939 nan 8.230 nan 0.000 0.522 72 V N -0.348 119.578 119.914 0.021 0.000 3.539 72 V HA 0.229 4.349 4.120 0.001 0.000 0.262 72 V C 1.347 177.448 176.094 0.012 0.000 1.381 72 V CA 1.109 63.416 62.300 0.012 0.000 1.060 72 V CB 0.361 32.185 31.823 0.001 0.000 0.842 72 V HN 0.682 nan 8.190 nan 0.000 0.445 73 S N 0.408 116.118 115.700 0.018 0.000 2.441 73 S HA 0.058 4.528 4.470 0.001 0.000 0.224 73 S C 1.141 175.782 174.600 0.068 0.000 1.043 73 S CA 0.410 58.618 58.200 0.014 0.000 0.948 73 S CB -0.243 62.958 63.200 0.001 0.000 0.810 73 S HN 0.728 nan 8.310 nan 0.000 0.504 74 E N 2.843 123.097 120.200 0.090 0.000 2.026 74 E HA -0.083 4.267 4.350 0.001 0.000 0.249 74 E C -0.780 175.892 176.600 0.120 0.000 1.273 74 E CA 0.020 56.498 56.400 0.129 0.000 0.991 74 E CB -0.414 29.373 29.700 0.144 0.000 1.076 74 E HN 0.437 nan 8.360 nan 0.000 0.438 75 I N 5.275 125.924 120.570 0.131 0.000 2.577 75 I HA 0.014 4.185 4.170 0.001 0.000 0.299 75 I C 1.356 177.536 176.117 0.105 0.000 1.157 75 I CA 0.670 62.032 61.300 0.104 0.000 1.418 75 I CB -0.829 37.243 38.000 0.120 0.000 1.467 75 I HN 0.755 nan 8.210 nan 0.000 0.624 76 G N 5.643 114.500 108.800 0.095 0.000 2.598 76 G HA2 -0.316 3.644 3.960 0.001 0.000 0.269 76 G HA3 -0.316 3.644 3.960 0.001 0.000 0.269 76 G C 0.899 175.883 174.900 0.140 0.000 1.289 76 G CA 0.358 45.515 45.100 0.095 0.000 0.926 76 G HN 0.786 nan 8.290 nan 0.000 0.567 77 E N 0.186 120.461 120.200 0.125 0.000 2.482 77 E HA -0.001 4.350 4.350 0.001 0.000 0.196 77 E C 2.130 178.897 176.600 0.278 0.000 1.047 77 E CA 1.283 57.773 56.400 0.150 0.000 0.869 77 E CB -0.070 29.673 29.700 0.073 0.000 0.836 77 E HN 1.372 nan 8.360 nan 0.000 0.520 78 L N 0.641 121.995 121.223 0.217 0.000 5.146 78 L HA -0.481 3.859 4.340 0.001 0.000 0.452 78 L C 1.749 178.746 176.870 0.211 0.000 1.055 78 L CA 2.853 57.801 54.840 0.179 0.000 0.960 78 L CB -1.798 40.320 42.059 0.099 0.000 1.736 78 L HN 0.626 nan 8.230 nan 0.000 0.812 79 Q N -2.062 117.904 119.800 0.277 0.000 1.831 79 Q HA -0.449 3.891 4.340 0.001 0.000 0.174 79 Q C 0.951 177.082 176.000 0.219 0.000 2.932 79 Q CA 2.566 58.493 55.803 0.207 0.000 0.296 79 Q CB -1.737 27.061 28.738 0.102 0.000 0.281 79 Q HN 0.722 nan 8.270 nan 0.000 0.373 80 N N 0.083 118.861 118.700 0.129 0.000 2.668 80 N HA -0.101 4.639 4.740 0.001 0.000 0.201 80 N C 0.292 175.843 175.510 0.069 0.000 1.408 80 N CA 1.040 54.132 53.050 0.068 0.000 0.905 80 N CB -0.407 38.081 38.487 0.002 0.000 1.093 80 N HN 0.387 nan 8.380 nan 0.000 0.453 81 W N 1.654 122.923 121.300 -0.052 0.000 2.290 81 W HA -0.210 4.451 4.660 0.000 0.000 0.311 81 W C 2.342 178.829 176.519 -0.054 0.000 1.238 81 W CA 1.145 58.453 57.345 -0.062 0.000 1.255 81 W CB -0.335 29.096 29.460 -0.048 0.000 1.145 81 W HN 0.304 nan 8.180 nan 0.000 0.506 82 E N 0.142 120.449 120.200 0.178 0.000 2.031 82 E HA -0.312 4.039 4.350 0.001 0.000 0.193 82 E C 2.023 178.637 176.600 0.022 0.000 0.994 82 E CA 1.790 58.243 56.400 0.090 0.000 0.800 82 E CB -0.193 29.549 29.700 0.069 0.000 0.752 82 E HN 0.269 nan 8.360 nan 0.000 0.447 83 E N 0.451 120.655 120.200 0.007 0.000 2.038 83 E HA -0.220 4.130 4.350 0.001 0.000 0.195 83 E C 2.116 178.670 176.600 -0.077 0.000 1.000 83 E CA 1.740 58.123 56.400 -0.028 0.000 0.803 83 E CB -0.827 28.861 29.700 -0.021 0.000 0.750 83 E HN 0.328 nan 8.360 nan 0.000 0.448 84 C N -0.125 119.088 119.300 -0.146 0.000 2.413 84 C HA -0.055 4.406 4.460 0.001 0.000 0.276 84 C C 2.558 177.422 174.990 -0.211 0.000 1.248 84 C CA 0.832 59.701 59.018 -0.248 0.000 1.742 84 C CB -1.256 26.188 27.740 -0.495 0.000 2.017 84 C HN 0.554 nan 8.230 nan 0.000 0.481 85 L N 0.153 121.273 121.223 -0.172 0.000 1.973 85 L HA -0.132 4.208 4.340 0.001 0.000 0.208 85 L C 2.628 179.455 176.870 -0.071 0.000 1.073 85 L CA 1.619 56.392 54.840 -0.111 0.000 0.746 85 L CB -0.830 41.205 42.059 -0.041 0.000 0.891 85 L HN 0.334 nan 8.230 nan 0.000 0.433 86 L N -0.250 120.943 121.223 -0.050 0.000 2.137 86 L HA -0.284 4.057 4.340 0.001 0.000 0.213 86 L C 2.843 179.685 176.870 -0.047 0.000 1.085 86 L CA 1.103 55.917 54.840 -0.044 0.000 0.760 86 L CB -0.865 41.174 42.059 -0.033 0.000 0.893 86 L HN 0.329 nan 8.230 nan 0.000 0.434 87 A N 0.127 122.914 122.820 -0.055 0.000 1.859 87 A HA -0.182 4.138 4.320 0.001 0.000 0.217 87 A C 1.588 179.145 177.584 -0.044 0.000 1.198 87 A CA 1.577 53.585 52.037 -0.048 0.000 0.629 87 A CB -0.835 18.131 19.000 -0.057 0.000 0.830 87 A HN 0.510 nan 8.150 nan 0.000 0.446 88 S N -0.179 115.489 115.700 -0.054 0.000 2.562 88 S HA 0.245 4.715 4.470 0.001 0.000 0.281 88 S C 0.017 174.591 174.600 -0.044 0.000 1.333 88 S CA -0.354 57.818 58.200 -0.047 0.000 1.052 88 S CB 0.739 63.906 63.200 -0.055 0.000 0.884 88 S HN 0.366 nan 8.310 nan 0.000 0.506 89 Q N 1.694 121.471 119.800 -0.039 0.000 2.823 89 Q HA 0.391 4.731 4.340 0.001 0.000 0.370 89 Q C 0.585 176.562 176.000 -0.039 0.000 1.110 89 Q CA 0.012 55.793 55.803 -0.037 0.000 0.990 89 Q CB 0.360 29.079 28.738 -0.032 0.000 1.383 89 Q HN 0.908 nan 8.270 nan 0.000 0.430 90 A N -0.359 122.436 122.820 -0.041 0.000 2.469 90 A HA 0.347 4.668 4.320 0.001 0.000 0.245 90 A C 0.418 177.990 177.584 -0.019 0.000 1.221 90 A CA -0.041 51.971 52.037 -0.042 0.000 0.946 90 A CB 0.812 19.771 19.000 -0.068 0.000 1.049 90 A HN 0.165 nan 8.150 nan 0.000 0.529 91 V N -1.515 118.383 119.914 -0.028 0.000 2.808 91 V HA 0.848 4.968 4.120 0.001 0.000 0.308 91 V C -0.598 175.462 176.094 -0.057 0.000 1.099 91 V CA -0.180 62.102 62.300 -0.031 0.000 0.920 91 V CB 1.114 32.926 31.823 -0.019 0.000 1.014 91 V HN 0.637 nan 8.190 nan 0.000 0.425 92 S N 2.815 118.459 115.700 -0.092 0.000 2.638 92 S HA 0.609 5.079 4.470 0.001 0.000 0.274 92 S C 0.280 174.769 174.600 -0.184 0.000 1.157 92 S CA -0.999 57.132 58.200 -0.115 0.000 0.826 92 S CB 2.261 65.396 63.200 -0.110 0.000 1.139 92 S HN 0.728 nan 8.310 nan 0.000 0.474 93 R N 0.017 120.418 120.500 -0.166 0.000 2.189 93 R HA 0.242 4.582 4.340 0.001 0.000 0.218 93 R C 1.510 177.578 176.300 -0.387 0.000 1.074 93 R CA 1.197 57.175 56.100 -0.203 0.000 0.991 93 R CB -0.279 29.962 30.300 -0.099 0.000 0.883 93 R HN 1.026 nan 8.270 nan 0.000 0.457 94 G N -0.081 108.499 108.800 -0.367 0.000 3.259 94 G HA2 -0.226 3.734 3.960 0.001 0.000 0.217 94 G HA3 -0.226 3.734 3.960 0.001 0.000 0.217 94 G C 0.341 175.148 174.900 -0.155 0.000 0.993 94 G CA 0.160 44.965 45.100 -0.491 0.000 0.836 94 G HN 0.314 nan 8.290 nan 0.000 0.514 95 D N 1.332 121.683 120.400 -0.083 0.000 2.174 95 D HA -0.020 4.621 4.640 0.001 0.000 0.215 95 D C 1.172 177.463 176.300 -0.014 0.000 1.021 95 D CA 1.708 55.696 54.000 -0.021 0.000 0.910 95 D CB -0.178 40.611 40.800 -0.019 0.000 1.142 95 D HN 0.586 nan 8.370 nan 0.000 0.473 96 E N 0.062 120.247 120.200 -0.025 0.000 2.438 96 E HA 0.181 4.531 4.350 0.001 0.000 0.261 96 E C -2.135 174.458 176.600 -0.012 0.000 1.103 96 E CA -0.875 55.517 56.400 -0.014 0.000 0.959 96 E CB 0.081 29.769 29.700 -0.020 0.000 0.958 96 E HN 0.262 nan 8.360 nan 0.000 0.447 97 P HA 0.064 nan 4.420 nan 0.000 0.273 97 P C -1.283 176.022 177.300 0.008 0.000 1.319 97 P CA 0.231 63.341 63.100 0.016 0.000 0.885 97 P CB 0.525 32.237 31.700 0.021 0.000 1.015 98 T N 5.578 120.133 114.554 0.001 0.000 2.841 98 T HA 0.313 4.664 4.350 0.001 0.000 0.283 98 T C -1.504 173.218 174.700 0.036 0.000 1.000 98 T CA -1.542 60.558 62.100 -0.001 0.000 0.977 98 T CB 1.851 70.695 68.868 -0.039 0.000 0.979 98 T HN 0.160 nan 8.240 nan 0.000 0.446 99 P HA -0.016 nan 4.420 nan 0.000 0.220 99 P C -0.002 177.400 177.300 0.169 0.000 1.148 99 P CA 0.924 64.112 63.100 0.146 0.000 0.803 99 P CB 0.336 32.144 31.700 0.180 0.000 0.782 100 M N 0.163 119.829 119.600 0.110 0.000 2.259 100 M HA 0.359 4.840 4.480 0.001 0.000 0.304 100 M C -0.382 175.915 176.300 -0.005 0.000 1.019 100 M CA -0.804 54.557 55.300 0.102 0.000 0.922 100 M CB 2.614 35.292 32.600 0.131 0.000 1.600 100 M HN -0.293 nan 8.290 nan 0.000 0.433 101 I N 3.204 123.747 120.570 -0.045 0.000 2.676 101 I HA 0.469 4.639 4.170 0.001 0.000 0.309 101 I C -0.610 175.426 176.117 -0.135 0.000 0.990 101 I CA -0.854 60.284 61.300 -0.270 0.000 1.168 101 I CB 1.781 39.339 38.000 -0.736 0.000 1.343 101 I HN 0.582 nan 8.210 nan 0.000 0.482 102 L N 5.128 126.230 121.223 -0.201 0.000 2.457 102 L HA 0.382 4.723 4.340 0.001 0.000 0.252 102 L C -0.840 175.997 176.870 -0.054 0.000 1.132 102 L CA -0.024 54.788 54.840 -0.046 0.000 0.938 102 L CB 0.724 42.768 42.059 -0.025 0.000 1.246 102 L HN 0.682 nan 8.230 nan 0.000 0.476 103 C N 4.123 123.444 119.300 0.036 0.000 2.281 103 C HA 0.862 5.323 4.460 0.001 0.000 0.325 103 C C 1.251 176.390 174.990 0.248 0.000 1.282 103 C CA 0.873 59.970 59.018 0.133 0.000 1.640 103 C CB -0.785 27.128 27.740 0.289 0.000 2.288 103 C HN 1.203 nan 8.230 nan 0.000 0.507 104 G N 5.971 114.866 108.800 0.158 0.000 2.562 104 G HA2 -0.207 3.753 3.960 0.001 0.000 0.250 104 G HA3 -0.207 3.753 3.960 0.001 0.000 0.250 104 G C -0.171 174.790 174.900 0.101 0.000 1.269 104 G CA 0.433 45.613 45.100 0.133 0.000 0.919 104 G HN 0.686 nan 8.290 nan 0.000 0.574 105 D N 0.867 121.311 120.400 0.073 0.000 2.722 105 D HA 0.500 5.140 4.640 0.001 0.000 0.239 105 D C 0.774 177.080 176.300 0.009 0.000 1.249 105 D CA 0.004 54.026 54.000 0.038 0.000 0.830 105 D CB 0.244 41.052 40.800 0.013 0.000 1.025 105 D HN 0.355 nan 8.370 nan 0.000 0.486 106 R N 0.139 120.662 120.500 0.039 0.000 2.637 106 R HA 0.604 4.944 4.340 0.001 0.000 0.291 106 R C -1.273 174.991 176.300 -0.061 0.000 0.963 106 R CA -0.835 55.205 56.100 -0.100 0.000 0.901 106 R CB 1.484 31.658 30.300 -0.210 0.000 1.160 106 R HN 0.027 nan 8.270 nan 0.000 0.457 107 L N 4.030 125.150 121.223 -0.172 0.000 2.298 107 L HA 0.508 4.849 4.340 0.001 0.000 0.284 107 L C -1.565 175.256 176.870 -0.080 0.000 1.013 107 L CA -0.237 54.591 54.840 -0.020 0.000 0.824 107 L CB 0.507 42.582 42.059 0.027 0.000 1.221 107 L HN 0.535 nan 8.230 nan 0.000 0.418 108 Y N 3.920 124.252 120.300 0.054 0.000 2.587 108 Y HA 0.542 5.093 4.550 0.000 0.000 0.337 108 Y C -0.293 175.657 175.900 0.083 0.000 1.065 108 Y CA -1.135 57.021 58.100 0.093 0.000 1.126 108 Y CB 1.255 39.830 38.460 0.191 0.000 1.279 108 Y HN 0.307 nan 8.280 nan 0.000 0.489 109 L N 1.786 123.165 121.223 0.260 0.000 2.290 109 L HA 0.172 4.513 4.340 0.001 0.000 0.284 109 L C 1.180 178.175 176.870 0.208 0.000 1.078 109 L CA -0.121 54.813 54.840 0.158 0.000 0.815 109 L CB 0.867 42.953 42.059 0.046 0.000 1.162 109 L HN 0.816 nan 8.230 nan 0.000 0.435 110 N N 2.958 121.769 118.700 0.184 0.000 2.150 110 N HA -0.311 4.429 4.740 0.001 0.000 0.196 110 N C 1.704 177.345 175.510 0.218 0.000 0.982 110 N CA 2.407 55.582 53.050 0.208 0.000 0.896 110 N CB 0.037 38.618 38.487 0.156 0.000 1.077 110 N HN 0.500 nan 8.380 nan 0.000 0.621 111 R N -1.134 119.452 120.500 0.143 0.000 2.198 111 R HA -0.220 4.120 4.340 0.001 0.000 0.258 111 R C 2.053 178.413 176.300 0.099 0.000 1.173 111 R CA 1.776 57.936 56.100 0.100 0.000 0.991 111 R CB -0.274 30.066 30.300 0.067 0.000 0.879 111 R HN 0.454 nan 8.270 nan 0.000 0.460 112 M N -1.621 118.069 119.600 0.150 0.000 2.115 112 M HA -0.140 4.340 4.480 0.001 0.000 0.261 112 M C 1.995 178.368 176.300 0.121 0.000 1.079 112 M CA 1.073 56.475 55.300 0.169 0.000 1.143 112 M CB -1.107 31.655 32.600 0.270 0.000 1.332 112 M HN 0.270 nan 8.290 nan 0.000 0.421 113 W N 0.796 122.033 121.300 -0.105 0.000 2.341 113 W HA -0.232 4.428 4.660 0.000 0.000 0.283 113 W C 2.249 178.608 176.519 -0.268 0.000 1.215 113 W CA 1.407 58.467 57.345 -0.475 0.000 1.211 113 W CB -0.283 28.874 29.460 -0.505 0.000 1.131 113 W HN 0.233 nan 8.180 nan 0.000 0.552 114 C N -0.410 118.800 119.300 -0.150 0.000 2.500 114 C HA -0.065 4.395 4.460 0.001 0.000 0.279 114 C C 2.463 177.298 174.990 -0.258 0.000 1.288 114 C CA 1.365 60.206 59.018 -0.295 0.000 1.710 114 C CB -1.492 26.215 27.740 -0.054 0.000 2.052 114 C HN 0.406 nan 8.230 nan 0.000 0.488 115 N N 0.377 119.002 118.700 -0.124 0.000 2.137 115 N HA -0.224 4.516 4.740 0.001 0.000 0.190 115 N C 1.805 177.241 175.510 -0.124 0.000 1.017 115 N CA 1.358 54.356 53.050 -0.086 0.000 0.859 115 N CB -0.128 38.348 38.487 -0.018 0.000 1.002 115 N HN 0.631 nan 8.380 nan 0.000 0.428 116 E N 1.004 121.096 120.200 -0.179 0.000 2.015 116 E HA -0.127 4.223 4.350 0.001 0.000 0.191 116 E C 2.052 178.482 176.600 -0.284 0.000 0.991 116 E CA 0.807 57.088 56.400 -0.197 0.000 0.802 116 E CB 0.150 29.726 29.700 -0.207 0.000 0.759 116 E HN 0.215 nan 8.360 nan 0.000 0.447 117 R N -0.306 119.921 120.500 -0.456 0.000 2.119 117 R HA -0.149 4.191 4.340 0.001 0.000 0.246 117 R C 2.401 178.543 176.300 -0.264 0.000 1.146 117 R CA 1.998 57.833 56.100 -0.441 0.000 0.962 117 R CB -0.480 29.418 30.300 -0.670 0.000 0.863 117 R HN 0.236 nan 8.270 nan 0.000 0.442 118 T N 0.340 114.758 114.554 -0.227 0.000 2.833 118 T HA -0.089 4.261 4.350 0.001 0.000 0.269 118 T C 1.895 176.549 174.700 -0.077 0.000 1.054 118 T CA 1.169 63.185 62.100 -0.140 0.000 1.135 118 T CB -0.078 68.714 68.868 -0.127 0.000 0.869 118 T HN 0.020 nan 8.240 nan 0.000 0.466 119 V N 1.544 121.423 119.914 -0.058 0.000 2.283 119 V HA -0.085 4.035 4.120 0.001 0.000 0.243 119 V C 2.904 179.092 176.094 0.157 0.000 1.039 119 V CA 1.611 63.955 62.300 0.073 0.000 1.016 119 V CB -1.167 30.713 31.823 0.095 0.000 0.650 119 V HN 0.505 nan 8.190 nan 0.000 0.449 120 A N -0.160 122.624 122.820 -0.061 0.000 1.972 120 A HA -0.252 4.069 4.320 0.001 0.000 0.219 120 A C 2.301 179.979 177.584 0.157 0.000 1.169 120 A CA 2.000 53.966 52.037 -0.119 0.000 0.635 120 A CB -0.550 18.186 19.000 -0.439 0.000 0.810 120 A HN 0.452 nan 8.150 nan 0.000 0.446 121 R N -1.916 118.613 120.500 0.050 0.000 2.152 121 R HA -0.074 4.266 4.340 0.001 0.000 0.232 121 R C 1.668 178.050 176.300 0.137 0.000 1.117 121 R CA 1.311 57.450 56.100 0.065 0.000 0.981 121 R CB -0.416 29.882 30.300 -0.003 0.000 0.870 121 R HN 0.535 nan 8.270 nan 0.000 0.451 122 F N -0.811 119.066 119.950 -0.121 0.000 2.367 122 F HA 0.064 4.592 4.527 0.001 0.000 0.298 122 F C 0.517 176.097 175.800 -0.367 0.000 1.094 122 F CA 0.672 58.484 58.000 -0.313 0.000 1.409 122 F CB 0.121 38.790 39.000 -0.551 0.000 1.064 122 F HN -0.080 nan 8.300 nan 0.000 0.528 123 F N -0.050 120.005 119.950 0.176 0.000 2.668 123 F HA 0.276 4.803 4.527 0.001 0.000 0.297 123 F C 0.308 176.137 175.800 0.049 0.000 1.124 123 F CA -0.187 57.815 58.000 0.004 0.000 1.353 123 F CB -0.185 38.809 39.000 -0.010 0.000 0.992 123 F HN -0.147 nan 8.300 nan 0.000 0.524 124 N N 0.702 119.518 118.700 0.194 0.000 2.595 124 N HA 0.008 4.749 4.740 0.001 0.000 0.291 124 N C 0.525 176.088 175.510 0.088 0.000 1.706 124 N CA 0.247 53.383 53.050 0.142 0.000 0.867 124 N CB 0.467 39.067 38.487 0.189 0.000 1.414 124 N HN 0.294 nan 8.380 nan 0.000 0.492 125 E N -0.261 119.975 120.200 0.061 0.000 2.581 125 E HA 0.023 4.373 4.350 0.001 0.000 0.195 125 E C -0.830 175.793 176.600 0.039 0.000 0.936 125 E CA 0.185 56.621 56.400 0.059 0.000 1.387 125 E CB 0.576 30.327 29.700 0.086 0.000 1.424 125 E HN -0.103 nan 8.360 nan 0.000 0.742 126 V N 4.945 124.855 119.914 -0.007 0.000 2.450 126 V HA -0.070 4.050 4.120 0.001 0.000 0.264 126 V C 0.408 176.519 176.094 0.029 0.000 0.996 126 V CA 0.732 63.015 62.300 -0.029 0.000 1.138 126 V CB -1.623 30.165 31.823 -0.057 0.000 1.051 126 V HN 0.302 nan 8.190 nan 0.000 0.470 127 N N 3.409 122.138 118.700 0.049 0.000 2.444 127 N HA 0.081 4.821 4.740 0.001 0.000 0.255 127 N C 0.130 175.703 175.510 0.105 0.000 1.255 127 N CA -0.518 52.585 53.050 0.087 0.000 0.933 127 N CB 0.348 38.884 38.487 0.081 0.000 1.143 127 N HN 0.725 nan 8.380 nan 0.000 0.453 128 H N -0.500 118.577 119.070 0.012 0.000 2.646 128 H HA 0.403 4.960 4.556 0.001 0.000 0.325 128 H C -0.738 174.597 175.328 0.012 0.000 1.075 128 H CA -0.953 55.102 56.048 0.011 0.000 1.421 128 H CB 0.430 30.197 29.762 0.008 0.000 1.461 128 H HN 0.750 nan 8.280 nan 0.000 0.525 129 A N 5.615 128.268 122.820 -0.279 0.000 2.489 129 A HA 0.149 4.469 4.320 0.001 0.000 0.289 129 A C 1.122 178.384 177.584 -0.536 0.000 1.216 129 A CA -0.569 51.284 52.037 -0.308 0.000 0.883 129 A CB -0.940 17.982 19.000 -0.129 0.000 1.110 129 A HN 0.720 nan 8.150 nan 0.000 0.523 130 I N 1.699 121.875 120.570 -0.656 0.000 2.623 130 I HA -0.213 3.957 4.170 0.001 0.000 0.261 130 I C 1.695 177.720 176.117 -0.154 0.000 1.204 130 I CA 1.104 62.137 61.300 -0.445 0.000 1.444 130 I CB -0.686 37.213 38.000 -0.169 0.000 1.094 130 I HN 0.778 nan 8.210 nan 0.000 0.451 131 E N 1.660 121.779 120.200 -0.135 0.000 3.125 131 E HA -0.029 4.321 4.350 0.001 0.000 0.304 131 E C 0.723 177.303 176.600 -0.034 0.000 1.207 131 E CA -0.211 56.152 56.400 -0.061 0.000 1.303 131 E CB 0.006 29.675 29.700 -0.052 0.000 1.075 131 E HN 0.314 nan 8.360 nan 0.000 0.473 132 V N 1.818 121.726 119.914 -0.009 0.000 2.503 132 V HA -0.116 4.005 4.120 0.001 0.000 0.163 132 V C 0.969 177.068 176.094 0.009 0.000 1.062 132 V CA 0.875 63.186 62.300 0.018 0.000 1.362 132 V CB -0.319 31.538 31.823 0.056 0.000 0.864 132 V HN 0.809 nan 8.190 nan 0.000 0.451 133 D N -0.287 120.120 120.400 0.013 0.000 2.699 133 D HA -0.214 4.427 4.640 0.001 0.000 0.239 133 D C 1.160 177.462 176.300 0.002 0.000 1.136 133 D CA 0.934 54.938 54.000 0.006 0.000 0.668 133 D CB -0.933 39.869 40.800 0.003 0.000 1.060 133 D HN 0.767 nan 8.370 nan 0.000 0.429 134 E N -0.252 119.949 120.200 0.001 0.000 2.271 134 E HA -0.355 3.996 4.350 0.001 0.000 0.209 134 E C 2.225 178.820 176.600 -0.008 0.000 1.046 134 E CA 1.532 57.928 56.400 -0.007 0.000 0.840 134 E CB -0.385 29.307 29.700 -0.013 0.000 0.738 134 E HN 0.648 nan 8.360 nan 0.000 0.470 135 A N 1.838 124.655 122.820 -0.005 0.000 1.859 135 A HA -0.241 4.080 4.320 0.001 0.000 0.218 135 A C 2.270 179.853 177.584 -0.002 0.000 1.209 135 A CA 1.931 53.965 52.037 -0.005 0.000 0.639 135 A CB -0.823 18.175 19.000 -0.003 0.000 0.835 135 A HN 0.277 nan 8.150 nan 0.000 0.450 136 L N -0.563 120.660 121.223 -0.000 0.000 1.994 136 L HA -0.084 4.256 4.340 0.001 0.000 0.208 136 L C 2.345 179.218 176.870 0.005 0.000 1.071 136 L CA 1.996 56.838 54.840 0.003 0.000 0.745 136 L CB -0.667 41.394 42.059 0.003 0.000 0.892 136 L HN 0.471 nan 8.230 nan 0.000 0.431 137 L N -0.490 120.735 121.223 0.003 0.000 2.021 137 L HA -0.303 4.037 4.340 0.001 0.000 0.215 137 L C 2.527 179.400 176.870 0.006 0.000 1.074 137 L CA 1.852 56.695 54.840 0.006 0.000 0.760 137 L CB -0.587 41.471 42.059 -0.002 0.000 0.889 137 L HN 0.480 nan 8.230 nan 0.000 0.433 138 A N -0.886 121.932 122.820 -0.004 0.000 1.940 138 A HA -0.269 4.051 4.320 0.001 0.000 0.219 138 A C 2.033 179.621 177.584 0.007 0.000 1.176 138 A CA 1.785 53.817 52.037 -0.009 0.000 0.631 138 A CB -0.427 18.562 19.000 -0.018 0.000 0.814 138 A HN 0.652 nan 8.150 nan 0.000 0.446 139 Q N -0.650 119.157 119.800 0.010 0.000 1.941 139 Q HA -0.138 4.202 4.340 0.001 0.000 0.201 139 Q C 2.350 178.368 176.000 0.031 0.000 0.982 139 Q CA 2.088 57.900 55.803 0.016 0.000 0.839 139 Q CB -0.808 27.936 28.738 0.010 0.000 0.904 139 Q HN 0.833 nan 8.270 nan 0.000 0.427 140 T N -0.119 114.453 114.554 0.030 0.000 2.848 140 T HA -0.171 4.179 4.350 0.001 0.000 0.269 140 T C 1.786 176.535 174.700 0.081 0.000 1.081 140 T CA 1.129 63.254 62.100 0.042 0.000 1.125 140 T CB -0.285 68.605 68.868 0.035 0.000 0.848 140 T HN 0.125 nan 8.240 nan 0.000 0.503 141 L N 0.203 121.481 121.223 0.093 0.000 2.145 141 L HA 0.091 4.431 4.340 0.001 0.000 0.201 141 L C 2.884 179.873 176.870 0.198 0.000 1.075 141 L CA 1.138 56.080 54.840 0.170 0.000 0.773 141 L CB -0.428 41.671 42.059 0.067 0.000 0.936 141 L HN 0.154 nan 8.230 nan 0.000 0.451 142 D N 0.536 120.995 120.400 0.097 0.000 2.218 142 D HA -0.162 4.478 4.640 0.001 0.000 0.204 142 D C 2.038 178.389 176.300 0.085 0.000 0.976 142 D CA 1.155 55.204 54.000 0.082 0.000 0.853 142 D CB 0.264 41.085 40.800 0.036 0.000 0.939 142 D HN 0.267 nan 8.370 nan 0.000 0.481 143 K N -0.243 120.196 120.400 0.066 0.000 2.116 143 K HA 0.043 4.363 4.320 0.001 0.000 0.203 143 K C 2.234 178.835 176.600 0.002 0.000 1.052 143 K CA 0.322 56.627 56.287 0.030 0.000 0.952 143 K CB 0.211 32.720 32.500 0.016 0.000 0.729 143 K HN 0.126 nan 8.250 nan 0.000 0.446 144 L N -0.250 120.978 121.223 0.008 0.000 2.179 144 L HA 0.019 4.359 4.340 0.001 0.000 0.208 144 L C 0.145 176.792 176.870 -0.372 0.000 1.096 144 L CA 0.527 55.262 54.840 -0.176 0.000 0.779 144 L CB 0.151 42.095 42.059 -0.191 0.000 0.922 144 L HN -0.003 nan 8.230 nan 0.000 0.443 145 F N -0.525 119.421 119.950 -0.008 0.000 2.382 145 F HA 0.315 4.842 4.527 0.001 0.000 0.361 145 F C -1.822 173.971 175.800 -0.011 0.000 1.109 145 F CA -2.012 55.983 58.000 -0.008 0.000 1.031 145 F CB 0.853 39.846 39.000 -0.012 0.000 1.234 145 F HN -0.245 nan 8.300 nan 0.000 0.445 146 P HA -0.040 nan 4.420 nan 0.000 0.215 146 P C 0.765 178.106 177.300 0.069 0.000 1.157 146 P CA 0.719 63.857 63.100 0.063 0.000 0.869 146 P CB 0.377 32.091 31.700 0.024 0.000 0.781 147 V N 1.370 121.331 119.914 0.078 0.000 3.102 147 V HA -0.007 4.113 4.120 0.001 0.000 0.371 147 V C 1.245 177.378 176.094 0.066 0.000 1.414 147 V CA 1.094 63.436 62.300 0.070 0.000 1.565 147 V CB -1.922 29.947 31.823 0.076 0.000 1.273 147 V HN 0.196 nan 8.190 nan 0.000 0.478 148 S N -0.822 114.910 115.700 0.053 0.000 2.631 148 S HA -0.054 4.416 4.470 0.001 0.000 0.217 148 S C 1.316 175.902 174.600 -0.025 0.000 0.958 148 S CA 0.272 58.475 58.200 0.005 0.000 0.920 148 S CB -0.261 62.940 63.200 0.002 0.000 0.776 148 S HN 0.771 nan 8.310 nan 0.000 0.517 149 D N 2.218 122.618 120.400 -0.001 0.000 2.106 149 D HA -0.206 4.434 4.640 0.001 0.000 0.191 149 D C 0.952 177.236 176.300 -0.028 0.000 0.997 149 D CA 1.292 55.286 54.000 -0.008 0.000 0.834 149 D CB -0.397 40.410 40.800 0.012 0.000 0.956 149 D HN 0.592 nan 8.370 nan 0.000 0.448 150 E N 0.952 121.138 120.200 -0.023 0.000 2.134 150 E HA 0.103 4.453 4.350 0.001 0.000 0.278 150 E C -0.084 176.459 176.600 -0.095 0.000 0.959 150 E CA -0.819 55.555 56.400 -0.043 0.000 0.783 150 E CB 1.008 30.700 29.700 -0.014 0.000 1.095 150 E HN 0.337 nan 8.360 nan 0.000 0.399 151 I N 5.093 125.565 120.570 -0.164 0.000 3.549 151 I HA -0.255 3.915 4.170 0.001 0.000 0.333 151 I C -0.228 175.654 176.117 -0.393 0.000 1.232 151 I CA 0.689 61.786 61.300 -0.339 0.000 1.557 151 I CB -0.104 37.628 38.000 -0.447 0.000 1.338 151 I HN 0.418 nan 8.210 nan 0.000 0.456 152 N N 7.001 125.508 118.700 -0.322 0.000 2.406 152 N HA 0.048 4.789 4.740 0.001 0.000 0.251 152 N C 0.277 175.617 175.510 -0.284 0.000 1.069 152 N CA -0.143 52.790 53.050 -0.196 0.000 0.947 152 N CB 0.537 38.967 38.487 -0.095 0.000 1.111 152 N HN 0.623 nan 8.380 nan 0.000 0.497 153 W N 1.906 123.187 121.300 -0.032 0.000 2.465 153 W HA -0.017 4.643 4.660 0.000 0.000 0.268 153 W C 2.002 178.482 176.519 -0.066 0.000 1.242 153 W CA 0.087 57.410 57.345 -0.037 0.000 1.248 153 W CB 0.361 29.822 29.460 0.002 0.000 1.118 153 W HN 0.584 nan 8.180 nan 0.000 0.587 154 Q N 0.324 120.202 119.800 0.130 0.000 2.172 154 Q HA -0.169 4.171 4.340 0.001 0.000 0.200 154 Q C 2.099 177.936 176.000 -0.272 0.000 0.964 154 Q CA 1.007 56.854 55.803 0.073 0.000 0.855 154 Q CB -0.282 28.600 28.738 0.240 0.000 0.918 154 Q HN 0.295 nan 8.270 nan 0.000 0.444 155 K N 0.621 120.623 120.400 -0.664 0.000 2.148 155 K HA -0.099 4.221 4.320 0.001 0.000 0.204 155 K C 1.807 178.087 176.600 -0.533 0.000 1.050 155 K CA 0.790 56.353 56.287 -1.206 0.000 0.942 155 K CB 0.253 32.153 32.500 -1.000 0.000 0.724 155 K HN 0.015 nan 8.250 nan 0.000 0.446 156 V N 1.004 120.749 119.914 -0.282 0.000 2.488 156 V HA -0.127 3.993 4.120 0.001 0.000 0.246 156 V C 2.361 178.449 176.094 -0.009 0.000 1.046 156 V CA 1.557 63.775 62.300 -0.137 0.000 1.053 156 V CB -0.338 31.453 31.823 -0.052 0.000 0.679 156 V HN 0.424 nan 8.190 nan 0.000 0.458 157 A N 0.575 123.427 122.820 0.053 0.000 1.873 157 A HA -0.253 4.067 4.320 0.001 0.000 0.218 157 A C 2.450 180.061 177.584 0.046 0.000 1.193 157 A CA 2.661 54.753 52.037 0.092 0.000 0.629 157 A CB -1.022 18.038 19.000 0.099 0.000 0.826 157 A HN 0.574 nan 8.150 nan 0.000 0.447 158 A N -0.298 122.520 122.820 -0.003 0.000 1.841 158 A HA 0.085 4.405 4.320 0.001 0.000 0.216 158 A C 2.610 180.193 177.584 -0.001 0.000 1.199 158 A CA 2.860 54.910 52.037 0.022 0.000 0.621 158 A CB -1.439 17.591 19.000 0.050 0.000 0.835 158 A HN 1.381 nan 8.150 nan 0.000 0.445 159 A N -0.760 122.026 122.820 -0.057 0.000 1.915 159 A HA -0.169 4.151 4.320 0.001 0.000 0.220 159 A C 2.253 179.827 177.584 -0.017 0.000 1.198 159 A CA 2.443 54.448 52.037 -0.054 0.000 0.647 159 A CB -1.230 17.703 19.000 -0.112 0.000 0.825 159 A HN 0.585 nan 8.150 nan 0.000 0.456 160 V N -0.683 119.237 119.914 0.011 0.000 2.427 160 V HA -0.178 3.942 4.120 0.001 0.000 0.248 160 V C 2.934 179.065 176.094 0.061 0.000 1.051 160 V CA 1.882 64.221 62.300 0.066 0.000 1.048 160 V CB -1.113 30.809 31.823 0.165 0.000 0.666 160 V HN 0.647 nan 8.190 nan 0.000 0.456 161 A N -0.720 122.130 122.820 0.051 0.000 2.067 161 A HA 0.056 4.376 4.320 0.001 0.000 0.217 161 A C 2.070 179.669 177.584 0.024 0.000 1.156 161 A CA 1.033 53.094 52.037 0.041 0.000 0.683 161 A CB -0.303 18.723 19.000 0.042 0.000 0.808 161 A HN 0.519 nan 8.150 nan 0.000 0.455 162 L N -0.381 120.854 121.223 0.020 0.000 2.529 162 L HA 0.020 4.361 4.340 0.001 0.000 0.223 162 L C 1.731 178.601 176.870 0.000 0.000 1.113 162 L CA 1.247 56.093 54.840 0.010 0.000 0.861 162 L CB 0.033 42.099 42.059 0.013 0.000 1.012 162 L HN 0.524 nan 8.230 nan 0.000 0.461 163 T N -3.666 110.893 114.554 0.009 0.000 3.174 163 T HA 0.301 4.652 4.350 0.001 0.000 0.269 163 T C 0.591 175.306 174.700 0.026 0.000 1.017 163 T CA -0.450 61.657 62.100 0.012 0.000 0.899 163 T CB 0.294 69.180 68.868 0.028 0.000 1.077 163 T HN -0.070 nan 8.240 nan 0.000 0.552 164 R N 0.352 120.863 120.500 0.018 0.000 2.774 164 R HA 0.495 4.835 4.340 0.001 0.000 0.272 164 R C 0.542 176.844 176.300 0.004 0.000 1.000 164 R CA -0.824 55.291 56.100 0.025 0.000 0.906 164 R CB 1.788 32.114 30.300 0.044 0.000 1.227 164 R HN 0.046 nan 8.270 nan 0.000 0.468 165 R N 0.532 121.033 120.500 0.002 0.000 2.080 165 R HA 0.158 4.499 4.340 0.001 0.000 0.222 165 R C 0.012 176.308 176.300 -0.006 0.000 1.107 165 R CA 1.144 57.243 56.100 -0.002 0.000 0.980 165 R CB 0.273 30.579 30.300 0.011 0.000 0.879 165 R HN 0.360 nan 8.270 nan 0.000 0.439 166 I N 1.015 121.567 120.570 -0.030 0.000 2.474 166 I HA 0.223 4.394 4.170 0.001 0.000 0.294 166 I C -0.722 175.424 176.117 0.048 0.000 1.005 166 I CA -0.352 60.928 61.300 -0.035 0.000 1.113 166 I CB 2.173 39.996 38.000 -0.294 0.000 1.289 166 I HN 0.087 nan 8.210 nan 0.000 0.436 167 S N 4.081 119.850 115.700 0.116 0.000 2.537 167 S HA 0.871 5.342 4.470 0.001 0.000 0.271 167 S C -1.183 173.537 174.600 0.201 0.000 1.148 167 S CA -0.844 57.428 58.200 0.121 0.000 0.868 167 S CB 1.680 64.924 63.200 0.073 0.000 1.115 167 S HN 0.261 nan 8.310 nan 0.000 0.461 168 V N 2.394 122.395 119.914 0.145 0.000 2.656 168 V HA 0.584 4.704 4.120 0.001 0.000 0.307 168 V C -1.026 175.109 176.094 0.069 0.000 1.051 168 V CA -0.744 61.651 62.300 0.158 0.000 0.893 168 V CB 1.724 33.580 31.823 0.056 0.000 0.999 168 V HN 0.888 nan 8.190 nan 0.000 0.426 169 I N 3.100 123.717 120.570 0.078 0.000 2.411 169 I HA 0.381 4.552 4.170 0.001 0.000 0.284 169 I C 0.085 176.214 176.117 0.020 0.000 1.012 169 I CA 0.050 61.376 61.300 0.043 0.000 1.119 169 I CB 1.554 39.590 38.000 0.059 0.000 1.261 169 I HN 0.619 nan 8.210 nan 0.000 0.448 170 S N 4.622 120.309 115.700 -0.022 0.000 2.429 170 S HA 0.879 5.349 4.470 0.001 0.000 0.302 170 S C -0.129 174.444 174.600 -0.045 0.000 1.115 170 S CA -0.356 57.818 58.200 -0.044 0.000 1.095 170 S CB 1.077 64.223 63.200 -0.091 0.000 0.987 170 S HN 0.928 nan 8.310 nan 0.000 0.474 171 G N 2.453 111.240 108.800 -0.022 0.000 2.703 171 G HA2 0.585 4.546 3.960 0.001 0.000 0.294 171 G HA3 0.585 4.546 3.960 0.001 0.000 0.294 171 G C -0.120 174.789 174.900 0.015 0.000 1.451 171 G CA -0.282 44.810 45.100 -0.012 0.000 0.869 171 G HN 0.946 nan 8.290 nan 0.000 0.516 172 G N 0.039 108.857 108.800 0.031 0.000 2.684 172 G HA2 0.459 4.419 3.960 0.001 0.000 0.255 172 G HA3 0.459 4.419 3.960 0.001 0.000 0.255 172 G C -0.984 173.934 174.900 0.030 0.000 1.219 172 G CA -0.745 44.400 45.100 0.076 0.000 0.901 172 G HN 0.391 nan 8.290 nan 0.000 0.548 173 P HA -0.003 nan 4.420 nan 0.000 0.220 173 P C 1.562 178.845 177.300 -0.029 0.000 1.148 173 P CA 1.368 64.448 63.100 -0.032 0.000 0.803 173 P CB 0.199 31.853 31.700 -0.078 0.000 0.782 174 G N -1.222 107.563 108.800 -0.024 0.000 3.379 174 G HA2 0.082 4.042 3.960 0.001 0.000 0.253 174 G HA3 0.082 4.042 3.960 0.001 0.000 0.253 174 G C 0.033 174.932 174.900 -0.001 0.000 1.262 174 G CA 0.138 45.225 45.100 -0.022 0.000 0.959 174 G HN 0.173 nan 8.290 nan 0.000 0.524 175 T N -0.869 113.691 114.554 0.010 0.000 2.932 175 T HA 0.515 4.865 4.350 0.001 0.000 0.289 175 T C 0.794 175.513 174.700 0.033 0.000 1.039 175 T CA -0.136 61.982 62.100 0.029 0.000 1.024 175 T CB 1.966 70.855 68.868 0.035 0.000 1.090 175 T HN 0.016 nan 8.240 nan 0.000 0.496 176 G N 0.906 109.738 108.800 0.054 0.000 3.401 176 G HA2 0.130 4.090 3.960 0.001 0.000 0.251 176 G HA3 0.130 4.090 3.960 0.001 0.000 0.251 176 G C 0.911 175.851 174.900 0.067 0.000 0.960 176 G CA -0.171 44.963 45.100 0.056 0.000 1.900 176 G HN 0.670 nan 8.290 nan 0.000 0.645 177 K N 0.022 120.452 120.400 0.050 0.000 2.103 177 K HA -0.084 4.237 4.320 0.001 0.000 0.204 177 K C 2.558 179.185 176.600 0.045 0.000 1.052 177 K CA 1.423 57.742 56.287 0.052 0.000 0.945 177 K CB -0.008 32.514 32.500 0.037 0.000 0.722 177 K HN 0.311 nan 8.250 nan 0.000 0.443 178 T N -0.243 114.329 114.554 0.030 0.000 2.674 178 T HA -0.153 4.198 4.350 0.001 0.000 0.265 178 T C 1.920 176.633 174.700 0.022 0.000 1.039 178 T CA 2.487 64.599 62.100 0.020 0.000 1.150 178 T CB -0.532 68.340 68.868 0.007 0.000 0.864 178 T HN 0.552 nan 8.240 nan 0.000 0.427 179 T N -1.686 112.882 114.554 0.024 0.000 2.985 179 T HA -0.009 4.341 4.350 0.001 0.000 0.266 179 T C 2.173 176.898 174.700 0.042 0.000 1.076 179 T CA 1.813 63.922 62.100 0.016 0.000 1.135 179 T CB -1.109 67.758 68.868 -0.001 0.000 0.890 179 T HN 0.396 nan 8.240 nan 0.000 0.480 180 T N 1.128 115.737 114.554 0.091 0.000 2.788 180 T HA -0.058 4.292 4.350 0.001 0.000 0.268 180 T C 1.852 176.636 174.700 0.140 0.000 1.044 180 T CA 1.384 63.587 62.100 0.171 0.000 1.139 180 T CB -0.652 68.325 68.868 0.181 0.000 0.867 180 T HN 0.320 nan 8.240 nan 0.000 0.454 181 V N 1.522 121.486 119.914 0.083 0.000 2.667 181 V HA 0.029 4.149 4.120 0.001 0.000 0.252 181 V C 2.880 179.001 176.094 0.044 0.000 1.065 181 V CA 1.266 63.602 62.300 0.060 0.000 1.083 181 V CB -1.292 30.553 31.823 0.036 0.000 0.692 181 V HN 0.568 nan 8.190 nan 0.000 0.468 182 A N 0.858 123.697 122.820 0.031 0.000 1.834 182 A HA -0.251 4.069 4.320 0.001 0.000 0.216 182 A C 2.304 179.889 177.584 0.002 0.000 1.203 182 A CA 2.179 54.219 52.037 0.005 0.000 0.621 182 A CB -0.520 18.472 19.000 -0.015 0.000 0.841 182 A HN 0.510 nan 8.150 nan 0.000 0.446 183 K N -0.235 120.158 120.400 -0.011 0.000 2.097 183 K HA -0.083 4.238 4.320 0.001 0.000 0.206 183 K C 2.024 178.668 176.600 0.074 0.000 1.049 183 K CA 1.122 57.392 56.287 -0.027 0.000 0.933 183 K CB -0.440 31.944 32.500 -0.194 0.000 0.717 183 K HN 0.439 nan 8.250 nan 0.000 0.442 184 L N 1.611 122.910 121.223 0.126 0.000 2.010 184 L HA -0.248 4.092 4.340 0.001 0.000 0.219 184 L C 1.868 178.776 176.870 0.064 0.000 1.077 184 L CA 1.984 56.894 54.840 0.117 0.000 0.773 184 L CB -0.648 41.469 42.059 0.098 0.000 0.892 184 L HN 0.278 nan 8.230 nan 0.000 0.436 185 L N -0.599 120.648 121.223 0.039 0.000 2.209 185 L HA -0.044 4.296 4.340 0.001 0.000 0.207 185 L C 2.845 179.724 176.870 0.015 0.000 1.094 185 L CA 0.678 55.530 54.840 0.020 0.000 0.790 185 L CB -0.648 41.416 42.059 0.008 0.000 0.932 185 L HN 0.316 nan 8.230 nan 0.000 0.447 186 A N 0.605 123.432 122.820 0.013 0.000 1.917 186 A HA -0.261 4.059 4.320 0.001 0.000 0.219 186 A C 2.488 180.078 177.584 0.010 0.000 1.182 186 A CA 2.111 54.148 52.037 0.001 0.000 0.633 186 A CB -0.645 18.345 19.000 -0.017 0.000 0.819 186 A HN 0.407 nan 8.150 nan 0.000 0.448 187 A N -0.995 121.841 122.820 0.027 0.000 1.968 187 A HA 0.132 4.452 4.320 0.001 0.000 0.217 187 A C 2.151 179.749 177.584 0.023 0.000 1.169 187 A CA 1.150 53.206 52.037 0.033 0.000 0.638 187 A CB -0.449 18.588 19.000 0.062 0.000 0.812 187 A HN 0.500 nan 8.150 nan 0.000 0.446 188 L N -0.404 120.832 121.223 0.022 0.000 2.046 188 L HA -0.161 4.180 4.340 0.001 0.000 0.208 188 L C 2.379 179.254 176.870 0.008 0.000 1.077 188 L CA 1.329 56.176 54.840 0.013 0.000 0.747 188 L CB -0.270 41.795 42.059 0.010 0.000 0.896 188 L HN 0.425 nan 8.230 nan 0.000 0.432 189 I N -0.661 119.913 120.570 0.007 0.000 2.113 189 I HA -0.359 3.811 4.170 0.001 0.000 0.238 189 I C 2.564 178.683 176.117 0.004 0.000 1.070 189 I CA 1.321 62.624 61.300 0.004 0.000 1.332 189 I CB -0.367 37.634 38.000 0.002 0.000 1.044 189 I HN 0.326 nan 8.210 nan 0.000 0.402 190 Q N 0.293 120.096 119.800 0.005 0.000 2.062 190 Q HA -0.236 4.104 4.340 0.001 0.000 0.209 190 Q C 1.935 177.937 176.000 0.005 0.000 0.996 190 Q CA 1.803 57.609 55.803 0.004 0.000 0.859 190 Q CB -0.197 28.545 28.738 0.006 0.000 0.920 190 Q HN 0.500 nan 8.270 nan 0.000 0.415 191 M N -0.111 119.493 119.600 0.007 0.000 2.704 191 M HA 0.099 4.579 4.480 0.001 0.000 0.215 191 M C -0.093 176.208 176.300 0.002 0.000 1.156 191 M CA -0.130 55.173 55.300 0.004 0.000 1.002 191 M CB 0.314 32.917 32.600 0.006 0.000 1.781 191 M HN 0.023 nan 8.290 nan 0.000 0.486 192 A N 0.657 123.478 122.820 0.002 0.000 3.095 192 A HA 0.179 4.499 4.320 0.001 0.000 0.301 192 A C 0.680 178.264 177.584 0.001 0.000 1.432 192 A CA -0.626 51.413 52.037 0.002 0.000 1.140 192 A CB -0.274 18.729 19.000 0.004 0.000 1.174 192 A HN 0.374 nan 8.150 nan 0.000 0.546 193 D N 1.765 122.165 120.400 -0.001 0.000 2.865 193 D HA -0.283 4.357 4.640 0.001 0.000 0.271 193 D C 1.823 178.121 176.300 -0.002 0.000 1.158 193 D CA 2.701 56.700 54.000 -0.002 0.000 1.048 193 D CB -0.316 40.483 40.800 -0.003 0.000 1.380 193 D HN 0.533 nan 8.370 nan 0.000 0.520 194 G N 0.305 109.103 108.800 -0.003 0.000 2.688 194 G HA2 0.088 4.048 3.960 0.001 0.000 0.211 194 G HA3 0.088 4.048 3.960 0.001 0.000 0.211 194 G C 0.752 175.650 174.900 -0.003 0.000 1.399 194 G CA 1.571 46.669 45.100 -0.004 0.000 0.901 194 G HN 0.574 nan 8.290 nan 0.000 0.555 195 E N -3.955 116.243 120.200 -0.003 0.000 2.151 195 E HA 0.607 4.957 4.350 0.001 0.000 0.197 195 E C -0.492 176.109 176.600 0.001 0.000 1.085 195 E CA -1.070 55.329 56.400 -0.001 0.000 0.873 195 E CB 0.543 30.241 29.700 -0.003 0.000 2.021 195 E HN -0.027 nan 8.360 nan 0.000 0.468 196 R N -0.951 119.550 120.500 0.002 0.000 3.076 196 R HA -0.113 4.228 4.340 0.001 0.000 0.261 196 R C -1.695 174.620 176.300 0.025 0.000 0.930 196 R CA 0.633 56.738 56.100 0.008 0.000 0.649 196 R CB -1.949 28.349 30.300 -0.005 0.000 1.350 196 R HN 0.677 nan 8.270 nan 0.000 0.453 197 C N 2.933 122.248 119.300 0.024 0.000 2.949 197 C HA 0.500 4.960 4.460 0.001 0.000 0.306 197 C C -0.221 174.783 174.990 0.023 0.000 1.045 197 C CA -0.845 58.190 59.018 0.027 0.000 1.414 197 C CB 0.097 27.846 27.740 0.016 0.000 1.854 197 C HN 0.483 nan 8.230 nan 0.000 0.487 198 R N 4.345 124.866 120.500 0.034 0.000 2.207 198 R HA 0.680 5.020 4.340 0.001 0.000 0.334 198 R C -0.641 175.665 176.300 0.010 0.000 1.013 198 R CA 0.052 56.169 56.100 0.027 0.000 0.858 198 R CB 0.649 30.977 30.300 0.047 0.000 1.094 198 R HN 0.649 nan 8.270 nan 0.000 0.457 199 I N 3.390 123.961 120.570 0.002 0.000 2.355 199 I HA 0.403 4.574 4.170 0.001 0.000 0.288 199 I C 0.058 176.168 176.117 -0.012 0.000 0.999 199 I CA -0.611 60.682 61.300 -0.012 0.000 1.163 199 I CB 1.314 39.308 38.000 -0.011 0.000 1.316 199 I HN 0.350 nan 8.210 nan 0.000 0.454 200 R N 6.593 127.079 120.500 -0.023 0.000 2.393 200 R HA 0.605 4.945 4.340 0.001 0.000 0.315 200 R C -0.946 175.335 176.300 -0.032 0.000 0.952 200 R CA -0.794 55.293 56.100 -0.022 0.000 0.842 200 R CB 1.988 32.276 30.300 -0.020 0.000 1.163 200 R HN 0.534 nan 8.270 nan 0.000 0.450 201 L N 2.181 123.390 121.223 -0.022 0.000 2.418 201 L HA 0.679 5.020 4.340 0.001 0.000 0.265 201 L C 0.398 177.258 176.870 -0.016 0.000 1.143 201 L CA -0.203 54.624 54.840 -0.021 0.000 0.809 201 L CB 1.090 43.142 42.059 -0.011 0.000 1.124 201 L HN 0.724 nan 8.230 nan 0.000 0.456 202 A N 1.788 124.601 122.820 -0.012 0.000 2.581 202 A HA 0.978 5.298 4.320 0.001 0.000 0.290 202 A C -1.578 176.019 177.584 0.022 0.000 1.119 202 A CA -0.029 52.010 52.037 0.002 0.000 0.670 202 A CB 1.761 20.757 19.000 -0.007 0.000 1.280 202 A HN 0.946 nan 8.150 nan 0.000 0.425 203 A N -0.651 122.192 122.820 0.038 0.000 2.590 203 A HA 0.725 5.045 4.320 0.001 0.000 0.294 203 A C -2.883 174.741 177.584 0.067 0.000 1.046 203 A CA -0.722 51.348 52.037 0.055 0.000 0.684 203 A CB 0.353 19.377 19.000 0.041 0.000 1.279 203 A HN 0.337 nan 8.150 nan 0.000 0.415 204 P HA -0.048 nan 4.420 nan 0.000 0.219 204 P C 0.801 178.152 177.300 0.086 0.000 1.146 204 P CA 2.226 65.386 63.100 0.100 0.000 0.808 204 P CB 0.082 31.835 31.700 0.088 0.000 0.779 205 T N -5.689 108.900 114.554 0.059 0.000 2.932 205 T HA 0.568 4.918 4.350 0.001 0.000 0.289 205 T C 1.358 176.081 174.700 0.038 0.000 1.039 205 T CA -0.417 61.709 62.100 0.045 0.000 1.024 205 T CB 1.664 70.552 68.868 0.033 0.000 1.090 205 T HN -0.053 nan 8.240 nan 0.000 0.496 206 G N 0.304 109.123 108.800 0.033 0.000 2.511 206 G HA2 -0.065 3.895 3.960 0.001 0.000 0.217 206 G HA3 -0.065 3.895 3.960 0.001 0.000 0.217 206 G C 1.258 176.172 174.900 0.022 0.000 1.133 206 G CA 0.582 45.699 45.100 0.028 0.000 0.792 206 G HN 0.840 nan 8.290 nan 0.000 0.539 207 K N 0.516 120.929 120.400 0.021 0.000 2.025 207 K HA 0.103 4.423 4.320 0.001 0.000 0.207 207 K C 2.733 179.338 176.600 0.008 0.000 1.049 207 K CA 1.213 57.509 56.287 0.015 0.000 0.933 207 K CB -0.267 32.241 32.500 0.013 0.000 0.714 207 K HN 0.159 nan 8.250 nan 0.000 0.438 208 A N 1.240 124.066 122.820 0.010 0.000 1.855 208 A HA -0.044 4.276 4.320 0.001 0.000 0.215 208 A C 2.394 179.984 177.584 0.010 0.000 1.191 208 A CA 1.766 53.807 52.037 0.007 0.000 0.613 208 A CB -1.081 17.927 19.000 0.014 0.000 0.829 208 A HN 0.479 nan 8.150 nan 0.000 0.442 209 A N 0.098 122.928 122.820 0.016 0.000 1.954 209 A HA -0.093 4.227 4.320 0.001 0.000 0.222 209 A C 2.512 180.102 177.584 0.010 0.000 1.199 209 A CA 2.980 55.026 52.037 0.015 0.000 0.657 209 A CB -1.308 17.704 19.000 0.020 0.000 0.823 209 A HN 1.274 nan 8.150 nan 0.000 0.463 210 A N -0.307 122.519 122.820 0.010 0.000 1.849 210 A HA -0.260 4.060 4.320 0.001 0.000 0.217 210 A C 2.219 179.805 177.584 0.004 0.000 1.202 210 A CA 2.059 54.101 52.037 0.008 0.000 0.629 210 A CB -0.673 18.332 19.000 0.009 0.000 0.834 210 A HN 0.611 nan 8.150 nan 0.000 0.447 211 R N -0.755 119.745 120.500 0.001 0.000 2.094 211 R HA -0.102 4.238 4.340 0.001 0.000 0.239 211 R C 2.212 178.511 176.300 -0.002 0.000 1.137 211 R CA 1.449 57.547 56.100 -0.003 0.000 0.943 211 R CB -0.817 29.478 30.300 -0.009 0.000 0.850 211 R HN 0.523 nan 8.270 nan 0.000 0.433 212 L N 0.730 121.953 121.223 0.000 0.000 2.064 212 L HA -0.362 3.978 4.340 0.001 0.000 0.234 212 L C 2.610 179.480 176.870 -0.000 0.000 1.103 212 L CA 2.538 57.379 54.840 0.001 0.000 0.824 212 L CB -1.045 41.016 42.059 0.003 0.000 0.919 212 L HN 0.529 nan 8.230 nan 0.000 0.447 213 T N -2.514 112.040 114.554 0.000 0.000 2.777 213 T HA -0.209 4.141 4.350 0.001 0.000 0.266 213 T C 1.351 176.050 174.700 -0.002 0.000 1.040 213 T CA 1.217 63.317 62.100 -0.000 0.000 1.141 213 T CB -0.611 68.257 68.868 0.001 0.000 0.868 213 T HN 0.642 nan 8.240 nan 0.000 0.444 214 E N 1.904 122.103 120.200 -0.001 0.000 2.516 214 E HA 0.019 4.369 4.350 0.001 0.000 0.199 214 E C 1.720 178.317 176.600 -0.005 0.000 1.069 214 E CA 0.902 57.301 56.400 -0.002 0.000 0.876 214 E CB -0.241 29.458 29.700 -0.001 0.000 0.843 214 E HN 0.760 nan 8.360 nan 0.000 0.530 215 S N 0.055 115.752 115.700 -0.005 0.000 2.930 215 S HA 0.129 4.599 4.470 0.001 0.000 0.253 215 S C 1.786 176.382 174.600 -0.007 0.000 1.083 215 S CA -0.444 57.751 58.200 -0.007 0.000 0.836 215 S CB -0.423 62.773 63.200 -0.007 0.000 0.814 215 S HN 0.169 nan 8.310 nan 0.000 0.467 216 L N 1.821 123.041 121.223 -0.005 0.000 2.362 216 L HA 0.146 4.486 4.340 0.001 0.000 0.219 216 L C 2.472 179.338 176.870 -0.007 0.000 1.134 216 L CA 1.138 55.975 54.840 -0.005 0.000 0.807 216 L CB -0.512 41.545 42.059 -0.003 0.000 0.927 216 L HN 0.609 nan 8.230 nan 0.000 0.447 217 G N -0.411 108.385 108.800 -0.007 0.000 2.441 217 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 217 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 217 G C 1.593 176.487 174.900 -0.010 0.000 1.164 217 G CA 0.262 45.358 45.100 -0.007 0.000 0.811 217 G HN 0.211 nan 8.290 nan 0.000 0.535 218 K N 0.733 121.127 120.400 -0.010 0.000 1.973 218 K HA 0.051 4.371 4.320 0.001 0.000 0.212 218 K C 2.541 179.132 176.600 -0.017 0.000 1.047 218 K CA 1.477 57.757 56.287 -0.012 0.000 0.937 218 K CB -0.407 32.086 32.500 -0.012 0.000 0.721 218 K HN 0.133 nan 8.250 nan 0.000 0.440 219 A N 0.779 123.588 122.820 -0.018 0.000 2.239 219 A HA 0.012 4.332 4.320 0.001 0.000 0.209 219 A C 1.887 179.454 177.584 -0.028 0.000 1.171 219 A CA 0.650 52.672 52.037 -0.025 0.000 0.768 219 A CB -0.299 18.688 19.000 -0.023 0.000 0.790 219 A HN 0.452 nan 8.150 nan 0.000 0.478 220 L N -1.627 119.583 121.223 -0.022 0.000 2.316 220 L HA 0.034 4.374 4.340 0.001 0.000 0.207 220 L C 2.569 179.426 176.870 -0.022 0.000 1.070 220 L CA 0.362 55.189 54.840 -0.022 0.000 0.820 220 L CB -0.167 41.883 42.059 -0.015 0.000 0.992 220 L HN 0.353 nan 8.230 nan 0.000 0.466 221 R N -0.263 120.226 120.500 -0.018 0.000 2.148 221 R HA -0.225 4.116 4.340 0.001 0.000 0.230 221 R C 1.814 178.102 176.300 -0.021 0.000 1.120 221 R CA 1.694 57.784 56.100 -0.017 0.000 0.902 221 R CB -0.823 29.468 30.300 -0.014 0.000 0.839 221 R HN 0.337 nan 8.270 nan 0.000 0.431 222 Q N 0.600 120.386 119.800 -0.024 0.000 1.395 222 Q HA -0.236 4.104 4.340 0.001 0.000 0.656 222 Q C 1.034 177.015 176.000 -0.032 0.000 0.968 222 Q CA 1.766 57.553 55.803 -0.028 0.000 0.837 222 Q CB -1.032 27.686 28.738 -0.033 0.000 0.916 222 Q HN 0.333 nan 8.270 nan 0.000 0.342 223 L N 1.234 122.432 121.223 -0.042 0.000 2.527 223 L HA -0.018 4.322 4.340 0.001 0.000 0.308 223 L C -2.019 174.827 176.870 -0.040 0.000 1.294 223 L CA -0.736 54.074 54.840 -0.049 0.000 0.838 223 L CB -0.582 41.433 42.059 -0.073 0.000 1.077 223 L HN 0.216 nan 8.230 nan 0.000 0.552 224 P HA 0.104 nan 4.420 nan 0.000 0.253 224 P C -0.643 176.641 177.300 -0.027 0.000 1.170 224 P CA 0.679 63.760 63.100 -0.030 0.000 0.806 224 P CB 0.044 31.725 31.700 -0.030 0.000 0.775 225 L N 3.319 124.530 121.223 -0.020 0.000 3.903 225 L HA 0.090 4.431 4.340 0.001 0.000 0.233 225 L C -0.308 176.554 176.870 -0.013 0.000 1.018 225 L CA 0.106 54.936 54.840 -0.016 0.000 1.388 225 L CB 0.302 42.351 42.059 -0.018 0.000 1.891 225 L HN 0.161 nan 8.230 nan 0.000 0.720 226 T N -1.408 113.140 114.554 -0.010 0.000 3.041 226 T HA 0.064 4.414 4.350 0.001 0.000 0.276 226 T C 0.510 175.206 174.700 -0.006 0.000 0.948 226 T CA 0.342 62.437 62.100 -0.008 0.000 0.885 226 T CB 0.064 68.927 68.868 -0.008 0.000 1.175 226 T HN 0.738 nan 8.240 nan 0.000 0.529 227 D N 3.339 123.735 120.400 -0.006 0.000 2.836 227 D HA -0.084 4.556 4.640 0.001 0.000 0.221 227 D C -0.501 175.797 176.300 -0.004 0.000 1.062 227 D CA 0.416 54.413 54.000 -0.005 0.000 1.264 227 D CB -0.293 40.505 40.800 -0.004 0.000 1.161 227 D HN 0.083 nan 8.370 nan 0.000 0.451 228 E N 0.680 120.878 120.200 -0.004 0.000 2.271 228 E HA -0.241 4.110 4.350 0.001 0.000 0.215 228 E C 0.713 177.311 176.600 -0.003 0.000 1.256 228 E CA 0.519 56.917 56.400 -0.003 0.000 0.678 228 E CB -2.157 27.541 29.700 -0.002 0.000 1.187 228 E HN 0.840 nan 8.360 nan 0.000 0.392 229 Q N 0.518 120.315 119.800 -0.005 0.000 2.486 229 Q HA -0.071 4.269 4.340 0.001 0.000 0.211 229 Q C 0.516 176.514 176.000 -0.004 0.000 0.949 229 Q CA 0.924 56.723 55.803 -0.006 0.000 0.998 229 Q CB 0.138 28.872 28.738 -0.008 0.000 1.004 229 Q HN 0.070 nan 8.270 nan 0.000 0.531 230 K N -0.306 120.092 120.400 -0.003 0.000 2.483 230 K HA 0.218 4.538 4.320 0.001 0.000 0.206 230 K C 0.053 176.653 176.600 0.000 0.000 1.086 230 K CA -0.078 56.208 56.287 -0.001 0.000 1.052 230 K CB 0.926 33.426 32.500 -0.001 0.000 0.904 230 K HN 0.001 nan 8.250 nan 0.000 0.557 231 K N 1.432 121.832 120.400 0.001 0.000 2.684 231 K HA 0.186 4.506 4.320 0.001 0.000 0.215 231 K C -0.103 176.498 176.600 0.002 0.000 1.073 231 K CA -0.063 56.226 56.287 0.003 0.000 1.197 231 K CB 0.253 32.755 32.500 0.003 0.000 0.955 231 K HN 0.121 nan 8.250 nan 0.000 0.473 232 R N 0.645 121.145 120.500 0.000 0.000 3.073 232 R HA 0.059 4.399 4.340 0.001 0.000 0.290 232 R C 0.828 177.128 176.300 0.000 0.000 1.130 232 R CA -0.138 55.962 56.100 -0.001 0.000 1.186 232 R CB 0.137 30.435 30.300 -0.002 0.000 1.166 232 R HN 0.009 nan 8.270 nan 0.000 0.563 233 I N 1.942 122.511 120.570 -0.002 0.000 2.598 233 I HA 0.031 4.201 4.170 0.001 0.000 0.284 233 I C -1.547 174.570 176.117 0.000 0.000 1.140 233 I CA -2.375 58.924 61.300 -0.002 0.000 1.420 233 I CB -0.154 37.843 38.000 -0.004 0.000 1.387 233 I HN 0.360 nan 8.210 nan 0.000 0.553 234 P HA -0.155 nan 4.420 nan 0.000 0.238 234 P C 0.550 177.852 177.300 0.003 0.000 1.175 234 P CA 0.591 63.693 63.100 0.004 0.000 0.757 234 P CB -0.170 31.533 31.700 0.006 0.000 0.839 235 E N -2.066 118.134 120.200 0.001 0.000 3.049 235 E HA -0.236 4.115 4.350 0.001 0.000 0.272 235 E C -0.476 176.126 176.600 0.003 0.000 1.051 235 E CA 0.802 57.202 56.400 0.001 0.000 0.813 235 E CB -1.272 28.429 29.700 0.002 0.000 1.409 235 E HN 0.415 nan 8.360 nan 0.000 0.454 236 D N 0.194 120.596 120.400 0.003 0.000 2.441 236 D HA 0.304 4.944 4.640 0.001 0.000 0.221 236 D C -0.168 176.133 176.300 0.003 0.000 1.156 236 D CA 0.279 54.281 54.000 0.004 0.000 0.896 236 D CB 0.719 41.522 40.800 0.005 0.000 1.028 236 D HN 0.269 nan 8.370 nan 0.000 0.509 237 A N 2.972 125.795 122.820 0.006 0.000 2.625 237 A HA 0.190 4.510 4.320 0.001 0.000 0.289 237 A C 0.524 178.114 177.584 0.011 0.000 1.411 237 A CA 0.142 52.184 52.037 0.009 0.000 1.035 237 A CB -0.809 18.197 19.000 0.011 0.000 0.992 237 A HN 0.387 nan 8.150 nan 0.000 0.580 238 S N 1.758 117.464 115.700 0.009 0.000 2.501 238 S HA 0.618 5.089 4.470 0.001 0.000 0.301 238 S C 0.117 174.732 174.600 0.024 0.000 1.096 238 S CA -0.016 58.192 58.200 0.013 0.000 1.063 238 S CB 1.414 64.615 63.200 0.001 0.000 1.042 238 S HN 1.159 nan 8.310 nan 0.000 0.494 239 T N 2.183 116.761 114.554 0.040 0.000 2.930 239 T HA 0.101 4.452 4.350 0.001 0.000 0.306 239 T C 0.968 175.706 174.700 0.063 0.000 1.045 239 T CA -0.671 61.469 62.100 0.067 0.000 1.134 239 T CB 0.150 69.072 68.868 0.088 0.000 0.961 239 T HN 0.646 nan 8.240 nan 0.000 0.545 240 L N 3.462 124.729 121.223 0.072 0.000 2.549 240 L HA 0.112 4.452 4.340 0.001 0.000 0.230 240 L C 1.305 178.163 176.870 -0.021 0.000 1.162 240 L CA 1.721 56.579 54.840 0.031 0.000 0.834 240 L CB -1.405 40.692 42.059 0.063 0.000 0.947 240 L HN 0.877 nan 8.230 nan 0.000 0.452 241 H N -1.672 117.403 119.070 0.009 0.000 2.550 241 H HA 0.249 4.805 4.556 0.000 0.000 0.304 241 H C 1.521 176.856 175.328 0.012 0.000 1.086 241 H CA -0.038 56.018 56.048 0.014 0.000 1.089 241 H CB 0.195 29.971 29.762 0.023 0.000 1.528 241 H HN 0.065 nan 8.280 nan 0.000 0.539 242 R N -0.079 120.447 120.500 0.044 0.000 2.977 242 R HA 0.025 4.365 4.340 0.001 0.000 0.161 242 R C 1.975 178.267 176.300 -0.013 0.000 0.805 242 R CA 0.832 56.953 56.100 0.035 0.000 1.044 242 R CB -0.625 29.694 30.300 0.032 0.000 1.433 242 R HN 0.403 nan 8.270 nan 0.000 0.570 243 L N 0.779 121.975 121.223 -0.044 0.000 2.064 243 L HA -0.160 4.181 4.340 0.001 0.000 0.234 243 L C 1.126 177.935 176.870 -0.100 0.000 1.103 243 L CA 1.968 56.759 54.840 -0.081 0.000 0.824 243 L CB -1.177 40.820 42.059 -0.102 0.000 0.919 243 L HN 0.030 nan 8.230 nan 0.000 0.447 244 L N 2.068 123.193 121.223 -0.163 0.000 2.583 244 L HA 0.241 4.581 4.340 0.001 0.000 0.239 244 L C 0.944 177.874 176.870 0.100 0.000 1.347 244 L CA -0.123 54.579 54.840 -0.231 0.000 1.246 244 L CB -1.348 40.225 42.059 -0.810 0.000 1.496 244 L HN 0.525 nan 8.230 nan 0.000 0.413 245 G N 1.797 110.654 108.800 0.095 0.000 2.772 245 G HA2 0.037 3.997 3.960 0.001 0.000 0.286 245 G HA3 0.037 3.997 3.960 0.001 0.000 0.286 245 G C 0.334 175.313 174.900 0.132 0.000 0.423 245 G CA 0.368 45.528 45.100 0.100 0.000 1.142 245 G HN 0.642 nan 8.290 nan 0.000 0.211 246 A N 3.235 126.125 122.820 0.118 0.000 2.337 246 A HA 0.858 5.178 4.320 0.001 0.000 0.331 246 A C 0.011 177.645 177.584 0.083 0.000 1.137 246 A CA -0.672 51.438 52.037 0.121 0.000 0.807 246 A CB 1.436 20.560 19.000 0.206 0.000 1.250 246 A HN 0.752 nan 8.150 nan 0.000 0.468 247 Q N 1.412 121.245 119.800 0.056 0.000 2.268 247 Q HA 0.396 4.736 4.340 0.001 0.000 0.266 247 Q C -2.670 173.347 176.000 0.028 0.000 1.006 247 Q CA -1.747 54.079 55.803 0.038 0.000 0.824 247 Q CB 2.571 31.325 28.738 0.027 0.000 1.306 247 Q HN 0.559 nan 8.270 nan 0.000 0.424 252 R N 1.695 122.185 120.500 -0.017 0.000 3.288 252 R HA 0.860 5.201 4.340 0.001 0.000 0.245 252 R C -1.109 175.144 176.300 -0.077 0.000 1.436 252 R CA -0.777 55.287 56.100 -0.060 0.000 1.036 252 R CB 1.157 31.404 30.300 -0.089 0.000 1.500 252 R HN 0.327 nan 8.270 nan 0.000 0.493 253 L N 0.091 121.199 121.223 -0.192 0.000 2.445 253 L HA 0.543 4.883 4.340 0.001 0.000 0.262 253 L C -0.659 176.014 176.870 -0.328 0.000 0.974 253 L CA -0.848 53.822 54.840 -0.282 0.000 0.822 253 L CB 2.603 44.319 42.059 -0.573 0.000 1.339 253 L HN 0.579 nan 8.230 nan 0.000 0.409 254 R N 1.337 121.789 120.500 -0.080 0.000 2.391 254 R HA 0.354 4.694 4.340 0.001 0.000 0.310 254 R C 0.013 176.420 176.300 0.177 0.000 1.174 254 R CA 0.228 56.343 56.100 0.024 0.000 1.118 254 R CB -0.095 30.237 30.300 0.052 0.000 1.134 254 R HN 0.912 nan 8.270 nan 0.000 0.524 255 H N -0.604 118.563 119.070 0.162 0.000 1.795 255 H HA -0.176 4.380 4.556 0.000 0.000 0.115 255 H C 1.282 176.619 175.328 0.014 0.000 1.231 255 H CA 0.302 56.401 56.048 0.086 0.000 0.432 255 H CB -0.757 29.017 29.762 0.019 0.000 0.316 255 H HN 0.442 nan 8.280 nan 0.000 0.207 256 H N 2.681 121.857 119.070 0.178 0.000 1.497 256 H HA -0.279 4.278 4.556 0.000 0.000 0.099 256 H C 0.774 176.136 175.328 0.056 0.000 1.162 256 H CA 2.363 58.486 56.048 0.126 0.000 1.883 256 H CB -1.825 27.920 29.762 -0.029 0.000 2.239 256 H HN 1.028 nan 8.280 nan 0.000 0.955 257 A N 0.981 123.485 122.820 -0.527 0.000 3.204 257 A HA 0.587 4.907 4.320 0.001 0.000 0.327 257 A C 0.784 178.144 177.584 -0.373 0.000 0.998 257 A CA 0.384 52.259 52.037 -0.270 0.000 0.891 257 A CB 0.017 18.985 19.000 -0.054 0.000 1.061 257 A HN 1.623 nan 8.150 nan 0.000 0.478 258 G N 1.009 109.625 108.800 -0.307 0.000 2.499 258 G HA2 0.182 4.143 3.960 0.001 0.000 0.474 258 G HA3 0.182 4.143 3.960 0.001 0.000 0.474 258 G C -0.870 173.919 174.900 -0.186 0.000 1.044 258 G CA -0.116 44.865 45.100 -0.197 0.000 1.316 258 G HN 0.808 nan 8.290 nan 0.000 0.617 259 N N -0.386 118.274 118.700 -0.066 0.000 3.340 259 N HA 0.490 5.230 4.740 0.001 0.000 0.361 259 N C -2.496 173.065 175.510 0.084 0.000 1.362 259 N CA 0.005 53.070 53.050 0.024 0.000 0.857 259 N CB 0.237 38.743 38.487 0.031 0.000 2.069 259 N HN 0.344 nan 8.380 nan 0.000 0.421 260 P HA 0.006 nan 4.420 nan 0.000 0.276 260 P C -0.148 177.161 177.300 0.014 0.000 1.337 260 P CA 0.496 63.568 63.100 -0.047 0.000 0.958 260 P CB 0.326 31.960 31.700 -0.110 0.000 1.078 261 L N -3.266 117.923 121.223 -0.056 0.000 3.296 261 L HA -0.114 4.226 4.340 0.001 0.000 0.512 261 L C -0.001 176.944 176.870 0.125 0.000 1.304 261 L CA 0.012 54.844 54.840 -0.014 0.000 0.911 261 L CB -2.410 39.623 42.059 -0.042 0.000 1.851 261 L HN 0.620 nan 8.230 nan 0.000 0.764 262 H N 1.857 120.929 119.070 0.004 0.000 3.216 262 H HA 0.394 4.950 4.556 0.000 0.000 0.263 262 H C 0.113 175.456 175.328 0.025 0.000 1.601 262 H CA -0.367 55.700 56.048 0.032 0.000 1.509 262 H CB 0.067 29.843 29.762 0.023 0.000 1.759 262 H HN 0.317 nan 8.280 nan 0.000 0.533 263 L N -0.961 120.345 121.223 0.138 0.000 2.947 263 L HA 0.230 4.570 4.340 0.001 0.000 0.267 263 L C -0.551 176.284 176.870 -0.058 0.000 1.004 263 L CA -0.908 53.965 54.840 0.055 0.000 0.937 263 L CB 1.248 43.311 42.059 0.006 0.000 1.496 263 L HN 0.081 nan 8.230 nan 0.000 0.409 264 D N -0.096 120.272 120.400 -0.053 0.000 2.454 264 D HA 0.200 4.841 4.640 0.001 0.000 0.214 264 D C 0.018 176.233 176.300 -0.141 0.000 1.088 264 D CA 0.830 54.724 54.000 -0.176 0.000 0.855 264 D CB 2.409 43.242 40.800 0.054 0.000 1.025 264 D HN 0.327 nan 8.370 nan 0.000 0.502 265 V N 2.183 122.046 119.914 -0.085 0.000 2.488 265 V HA 0.426 4.546 4.120 0.001 0.000 0.293 265 V C -1.800 174.245 176.094 -0.082 0.000 1.027 265 V CA -0.831 61.423 62.300 -0.076 0.000 0.862 265 V CB 1.850 33.646 31.823 -0.045 0.000 1.008 265 V HN -0.053 nan 8.190 nan 0.000 0.428 266 L N 7.469 128.624 121.223 -0.112 0.000 2.317 266 L HA 0.840 5.180 4.340 0.001 0.000 0.281 266 L C -0.857 175.909 176.870 -0.174 0.000 1.024 266 L CA -0.102 54.659 54.840 -0.132 0.000 0.810 266 L CB 2.071 44.040 42.059 -0.150 0.000 1.240 266 L HN 0.494 nan 8.230 nan 0.000 0.427 267 V N 5.959 125.787 119.914 -0.142 0.000 2.385 267 V HA 0.349 4.469 4.120 0.001 0.000 0.277 267 V C -0.442 175.590 176.094 -0.104 0.000 1.012 267 V CA -0.625 61.592 62.300 -0.138 0.000 0.832 267 V CB 1.572 33.352 31.823 -0.072 0.000 1.028 267 V HN 0.558 nan 8.190 nan 0.000 0.436 268 V N 3.408 123.237 119.914 -0.142 0.000 2.498 268 V HA 0.447 4.567 4.120 0.001 0.000 0.279 268 V C -0.024 176.109 176.094 0.065 0.000 1.048 268 V CA -0.112 62.186 62.300 -0.004 0.000 0.967 268 V CB 1.773 33.663 31.823 0.111 0.000 0.988 268 V HN 0.780 nan 8.190 nan 0.000 0.473 269 D N 2.235 122.674 120.400 0.065 0.000 2.340 269 D HA 0.327 4.967 4.640 0.001 0.000 0.243 269 D C 0.378 176.722 176.300 0.074 0.000 0.988 269 D CA -0.326 53.713 54.000 0.066 0.000 0.959 269 D CB 1.436 42.257 40.800 0.035 0.000 1.226 269 D HN 0.595 nan 8.370 nan 0.000 0.509 270 E N 0.273 120.509 120.200 0.060 0.000 2.637 270 E HA -0.244 4.106 4.350 0.001 0.000 0.265 270 E C 0.885 177.524 176.600 0.065 0.000 1.073 270 E CA 0.742 57.170 56.400 0.046 0.000 0.778 270 E CB -1.684 28.035 29.700 0.032 0.000 1.362 270 E HN 0.517 nan 8.360 nan 0.000 0.413 271 A N 0.568 123.451 122.820 0.105 0.000 1.948 271 A HA -0.269 4.051 4.320 0.001 0.000 0.220 271 A C 2.172 179.782 177.584 0.043 0.000 1.177 271 A CA 2.227 54.340 52.037 0.126 0.000 0.636 271 A CB -0.697 18.425 19.000 0.204 0.000 0.815 271 A HN 0.608 nan 8.150 nan 0.000 0.449 272 S N -0.728 114.985 115.700 0.021 0.000 2.559 272 S HA -0.112 4.358 4.470 0.001 0.000 0.250 272 S C 1.291 175.883 174.600 -0.013 0.000 0.977 272 S CA 1.606 59.800 58.200 -0.010 0.000 0.958 272 S CB -0.585 62.608 63.200 -0.012 0.000 0.751 272 S HN 0.610 nan 8.310 nan 0.000 0.534 273 M N 0.644 120.248 119.600 0.007 0.000 2.346 273 M HA 0.348 4.829 4.480 0.001 0.000 0.280 273 M C -0.617 175.700 176.300 0.028 0.000 1.075 273 M CA -0.099 55.205 55.300 0.006 0.000 0.989 273 M CB 0.392 32.997 32.600 0.008 0.000 1.447 273 M HN 0.177 nan 8.290 nan 0.000 0.511 274 I N 2.818 123.407 120.570 0.032 0.000 2.441 274 I HA 0.132 4.303 4.170 0.001 0.000 0.287 274 I C 0.095 176.228 176.117 0.027 0.000 1.049 274 I CA -0.051 61.275 61.300 0.043 0.000 1.381 274 I CB 0.213 38.236 38.000 0.039 0.000 1.409 274 I HN 0.267 nan 8.210 nan 0.000 0.523 275 D N 5.805 126.229 120.400 0.041 0.000 2.326 275 D HA 0.211 4.852 4.640 0.001 0.000 0.248 275 D C 1.161 177.485 176.300 0.039 0.000 1.001 275 D CA -0.814 53.207 54.000 0.036 0.000 0.961 275 D CB 2.227 43.053 40.800 0.042 0.000 1.183 275 D HN 0.326 nan 8.370 nan 0.000 0.502 276 L N 0.221 121.467 121.223 0.038 0.000 2.011 276 L HA -0.224 4.116 4.340 0.001 0.000 0.225 276 L C -0.717 176.174 176.870 0.035 0.000 1.084 276 L CA 2.342 57.205 54.840 0.038 0.000 0.791 276 L CB -1.304 40.782 42.059 0.045 0.000 0.898 276 L HN 0.403 nan 8.230 nan 0.000 0.440 277 P HA -0.260 nan 4.420 nan 0.000 0.214 277 P C 1.577 178.902 177.300 0.041 0.000 1.163 277 P CA 1.902 65.028 63.100 0.042 0.000 0.889 277 P CB -0.152 31.580 31.700 0.053 0.000 0.790 278 M N -1.807 117.824 119.600 0.053 0.000 2.115 278 M HA -0.203 4.277 4.480 0.001 0.000 0.258 278 M C 2.060 178.367 176.300 0.012 0.000 1.071 278 M CA 2.201 57.521 55.300 0.035 0.000 1.100 278 M CB -0.911 31.722 32.600 0.055 0.000 1.292 278 M HN -0.256 nan 8.290 nan 0.000 0.415 279 M N 0.982 120.597 119.600 0.026 0.000 3.903 279 M HA -0.302 4.179 4.480 0.001 0.000 0.297 279 M C 2.445 178.734 176.300 -0.019 0.000 1.035 279 M CA 2.613 57.927 55.300 0.023 0.000 1.052 279 M CB -1.791 30.833 32.600 0.041 0.000 1.178 279 M HN 0.763 nan 8.290 nan 0.000 0.648 280 S N 0.170 115.859 115.700 -0.019 0.000 2.545 280 S HA -0.345 4.126 4.470 0.001 0.000 0.311 280 S C 1.757 176.318 174.600 -0.066 0.000 1.239 280 S CA 2.491 60.660 58.200 -0.050 0.000 1.200 280 S CB -0.885 62.297 63.200 -0.030 0.000 1.217 280 S HN 0.466 nan 8.310 nan 0.000 0.441 281 R N 1.284 121.772 120.500 -0.019 0.000 2.057 281 R HA 0.345 4.685 4.340 0.001 0.000 0.229 281 R C 2.553 178.825 176.300 -0.047 0.000 1.136 281 R CA 1.245 57.362 56.100 0.028 0.000 0.952 281 R CB -1.143 29.244 30.300 0.144 0.000 0.848 281 R HN 0.529 nan 8.270 nan 0.000 0.430 282 L N 1.347 122.510 121.223 -0.100 0.000 2.021 282 L HA -0.253 4.087 4.340 0.001 0.000 0.215 282 L C 2.216 178.958 176.870 -0.214 0.000 1.074 282 L CA 1.945 56.691 54.840 -0.157 0.000 0.760 282 L CB -0.425 41.592 42.059 -0.069 0.000 0.889 282 L HN 0.345 nan 8.230 nan 0.000 0.433 283 I N -2.463 117.924 120.570 -0.306 0.000 2.163 283 I HA -0.319 3.852 4.170 0.001 0.000 0.243 283 I C 1.757 177.560 176.117 -0.523 0.000 1.085 283 I CA 2.272 63.157 61.300 -0.692 0.000 1.347 283 I CB -0.628 36.800 38.000 -0.955 0.000 1.044 283 I HN 0.225 nan 8.210 nan 0.000 0.408 284 D N 1.521 121.749 120.400 -0.286 0.000 2.194 284 D HA 0.051 4.691 4.640 0.001 0.000 0.204 284 D C 2.284 178.517 176.300 -0.111 0.000 0.964 284 D CA 1.444 55.343 54.000 -0.169 0.000 0.846 284 D CB -0.040 40.715 40.800 -0.075 0.000 0.962 284 D HN 0.524 nan 8.370 nan 0.000 0.490 285 A N -0.011 122.762 122.820 -0.079 0.000 2.172 285 A HA 0.017 4.338 4.320 0.001 0.000 0.216 285 A C 0.814 178.338 177.584 -0.099 0.000 1.154 285 A CA 0.312 52.324 52.037 -0.041 0.000 0.701 285 A CB -0.468 18.495 19.000 -0.062 0.000 0.789 285 A HN 0.188 nan 8.150 nan 0.000 0.465 286 L N 1.182 122.317 121.223 -0.147 0.000 2.315 286 L HA 0.242 4.582 4.340 0.001 0.000 0.283 286 L C -2.330 174.486 176.870 -0.091 0.000 1.089 286 L CA -2.066 52.694 54.840 -0.133 0.000 0.833 286 L CB 0.894 42.853 42.059 -0.166 0.000 1.170 286 L HN 0.012 nan 8.230 nan 0.000 0.442 287 P HA -0.046 nan 4.420 nan 0.000 0.261 287 P C -0.170 177.128 177.300 -0.004 0.000 1.173 287 P CA 0.095 63.206 63.100 0.018 0.000 0.760 287 P CB 0.488 32.247 31.700 0.099 0.000 0.783 288 D N 0.559 120.989 120.400 0.050 0.000 2.315 288 D HA -0.214 4.426 4.640 0.001 0.000 0.211 288 D C 1.391 177.737 176.300 0.076 0.000 0.977 288 D CA 1.164 55.197 54.000 0.054 0.000 0.894 288 D CB -0.401 40.433 40.800 0.056 0.000 0.910 288 D HN 0.620 nan 8.370 nan 0.000 0.490 289 H N -0.705 118.368 119.070 0.005 0.000 2.539 289 H HA 0.492 5.048 4.556 0.000 0.000 0.269 289 H C 0.137 175.467 175.328 0.003 0.000 0.980 289 H CA -0.045 56.004 56.048 0.001 0.000 1.152 289 H CB 0.002 29.759 29.762 -0.008 0.000 1.407 289 H HN 0.024 nan 8.280 nan 0.000 0.564 290 A N 1.470 124.040 122.820 -0.417 0.000 2.279 290 A HA 0.616 4.936 4.320 0.001 0.000 0.303 290 A C -0.055 177.449 177.584 -0.134 0.000 1.108 290 A CA -0.761 51.054 52.037 -0.369 0.000 0.830 290 A CB 0.950 19.753 19.000 -0.328 0.000 1.106 290 A HN 0.448 nan 8.150 nan 0.000 0.493 291 R N 0.585 121.020 120.500 -0.109 0.000 2.439 291 R HA 0.525 4.865 4.340 0.001 0.000 0.310 291 R C -1.564 174.689 176.300 -0.079 0.000 0.955 291 R CA -0.459 55.607 56.100 -0.056 0.000 0.853 291 R CB 1.938 32.209 30.300 -0.047 0.000 1.171 291 R HN 0.524 nan 8.270 nan 0.000 0.449 292 V N 5.315 125.189 119.914 -0.068 0.000 2.435 292 V HA 0.478 4.599 4.120 0.001 0.000 0.290 292 V C 0.178 176.114 176.094 -0.263 0.000 1.030 292 V CA -0.664 61.506 62.300 -0.217 0.000 0.881 292 V CB 1.814 33.501 31.823 -0.227 0.000 0.983 292 V HN 0.650 nan 8.190 nan 0.000 0.445 293 I N 4.948 125.312 120.570 -0.343 0.000 2.464 293 I HA 0.402 4.572 4.170 0.001 0.000 0.277 293 I C -0.751 175.211 176.117 -0.258 0.000 1.040 293 I CA -0.065 61.116 61.300 -0.199 0.000 1.153 293 I CB 0.772 38.717 38.000 -0.090 0.000 1.274 293 I HN 0.426 nan 8.210 nan 0.000 0.469 294 F N 6.216 126.205 119.950 0.065 0.000 2.399 294 F HA 0.532 5.059 4.527 0.000 0.000 0.342 294 F C 0.169 175.988 175.800 0.032 0.000 1.106 294 F CA -0.329 57.706 58.000 0.059 0.000 1.196 294 F CB 0.893 39.942 39.000 0.082 0.000 1.163 294 F HN 0.175 nan 8.300 nan 0.000 0.547 295 L N 1.959 123.308 121.223 0.210 0.000 2.401 295 L HA 0.937 5.277 4.340 0.001 0.000 0.266 295 L C 0.020 176.950 176.870 0.100 0.000 0.991 295 L CA -0.589 54.321 54.840 0.116 0.000 0.818 295 L CB 2.118 44.220 42.059 0.071 0.000 1.321 295 L HN 0.833 nan 8.230 nan 0.000 0.413 296 G N 0.648 109.483 108.800 0.059 0.000 2.315 296 G HA2 0.230 4.191 3.960 0.001 0.000 0.294 296 G HA3 0.230 4.191 3.960 0.001 0.000 0.294 296 G C -2.472 172.436 174.900 0.012 0.000 1.300 296 G CA -0.537 44.584 45.100 0.035 0.000 0.843 296 G HN 0.407 nan 8.290 nan 0.000 0.527 297 D N -0.420 119.983 120.400 0.006 0.000 2.440 297 D HA 0.363 5.003 4.640 0.001 0.000 0.239 297 D C 1.366 177.641 176.300 -0.042 0.000 1.084 297 D CA -0.742 53.257 54.000 -0.002 0.000 0.843 297 D CB 1.948 42.783 40.800 0.059 0.000 1.097 297 D HN 0.507 nan 8.370 nan 0.000 0.531 298 R N 2.694 123.140 120.500 -0.090 0.000 2.103 298 R HA -0.185 4.155 4.340 0.001 0.000 0.242 298 R C 0.083 176.290 176.300 -0.155 0.000 1.142 298 R CA 1.940 57.963 56.100 -0.128 0.000 0.960 298 R CB 0.168 30.372 30.300 -0.159 0.000 0.858 298 R HN 0.362 nan 8.270 nan 0.000 0.439 299 D N -0.009 120.256 120.400 -0.225 0.000 2.328 299 D HA -0.019 4.622 4.640 0.001 0.000 0.226 299 D C -0.193 176.006 176.300 -0.168 0.000 1.066 299 D CA 0.150 53.951 54.000 -0.332 0.000 0.861 299 D CB 0.194 40.550 40.800 -0.739 0.000 0.912 299 D HN 0.073 nan 8.370 nan 0.000 0.521 300 Q N 0.765 120.558 119.800 -0.012 0.000 2.296 300 Q HA 0.139 4.479 4.340 0.001 0.000 0.262 300 Q C 0.859 176.871 176.000 0.020 0.000 0.981 300 Q CA -0.316 55.542 55.803 0.091 0.000 0.905 300 Q CB 1.158 29.934 28.738 0.063 0.000 1.186 300 Q HN 0.115 nan 8.270 nan 0.000 0.399 301 L N 3.561 124.805 121.223 0.036 0.000 2.283 301 L HA -0.278 4.062 4.340 0.001 0.000 0.217 301 L C 1.419 178.268 176.870 -0.036 0.000 1.104 301 L CA 2.547 57.387 54.840 0.001 0.000 0.772 301 L CB -0.601 41.464 42.059 0.010 0.000 0.899 301 L HN 0.789 nan 8.230 nan 0.000 0.439 302 A N -2.201 120.585 122.820 -0.056 0.000 2.014 302 A HA -0.081 4.239 4.320 0.001 0.000 0.218 302 A C 2.263 179.816 177.584 -0.050 0.000 1.163 302 A CA 1.470 53.459 52.037 -0.080 0.000 0.652 302 A CB -0.528 18.421 19.000 -0.086 0.000 0.808 302 A HN 0.500 nan 8.150 nan 0.000 0.449 303 S N -0.762 114.912 115.700 -0.044 0.000 2.603 303 S HA 0.094 4.564 4.470 0.001 0.000 0.220 303 S C 1.138 175.709 174.600 -0.049 0.000 0.967 303 S CA 1.037 59.206 58.200 -0.051 0.000 0.920 303 S CB 0.180 63.340 63.200 -0.066 0.000 0.773 303 S HN 0.453 nan 8.310 nan 0.000 0.529 304 V N 0.212 120.104 119.914 -0.037 0.000 3.497 304 V HA 0.139 4.259 4.120 0.001 0.000 0.272 304 V C 0.523 176.618 176.094 0.001 0.000 1.474 304 V CA -0.438 61.846 62.300 -0.026 0.000 1.025 304 V CB -0.402 31.400 31.823 -0.036 0.000 0.820 304 V HN 0.450 nan 8.190 nan 0.000 0.437 305 E N 2.184 122.386 120.200 0.004 0.000 2.418 305 E HA 0.471 4.822 4.350 0.001 0.000 0.261 305 E C 0.431 177.053 176.600 0.036 0.000 1.070 305 E CA 0.062 56.478 56.400 0.028 0.000 0.931 305 E CB 0.687 30.404 29.700 0.029 0.000 0.954 305 E HN 0.353 nan 8.360 nan 0.000 0.439 306 A N 2.180 125.024 122.820 0.041 0.000 2.591 306 A HA 0.268 4.589 4.320 0.001 0.000 0.244 306 A C 1.423 179.020 177.584 0.023 0.000 1.031 306 A CA 0.741 52.800 52.037 0.036 0.000 0.767 306 A CB -1.140 17.744 19.000 -0.193 0.000 0.942 306 A HN 1.267 nan 8.150 nan 0.000 0.514 307 G N 0.795 109.625 108.800 0.051 0.000 2.195 307 G HA2 0.146 4.107 3.960 0.001 0.000 0.246 307 G HA3 0.146 4.107 3.960 0.001 0.000 0.246 307 G C 0.671 175.589 174.900 0.031 0.000 0.984 307 G CA 0.724 45.847 45.100 0.038 0.000 0.633 307 G HN 2.217 nan 8.290 nan 0.000 0.525 308 A N -0.762 122.072 122.820 0.023 0.000 2.267 308 A HA 0.911 5.232 4.320 0.001 0.000 0.271 308 A C 1.607 179.193 177.584 0.002 0.000 1.131 308 A CA 1.381 53.421 52.037 0.005 0.000 0.818 308 A CB 0.964 19.958 19.000 -0.009 0.000 1.118 308 A HN 1.610 nan 8.150 nan 0.000 0.501 309 V N -4.028 115.875 119.914 -0.017 0.000 3.163 309 V HA 0.092 4.212 4.120 0.001 0.000 0.217 309 V C 1.656 177.711 176.094 -0.065 0.000 1.540 309 V CA 0.677 62.964 62.300 -0.021 0.000 1.205 309 V CB -1.171 30.655 31.823 0.005 0.000 1.110 309 V HN 0.679 nan 8.190 nan 0.000 0.482 310 L N 3.140 124.312 121.223 -0.086 0.000 2.151 310 L HA 0.005 4.345 4.340 0.001 0.000 0.215 310 L C 2.258 179.051 176.870 -0.129 0.000 1.084 310 L CA 2.806 57.572 54.840 -0.124 0.000 0.764 310 L CB -1.092 40.910 42.059 -0.095 0.000 0.891 310 L HN 0.467 nan 8.230 nan 0.000 0.435 311 G N -1.126 107.612 108.800 -0.102 0.000 2.511 311 G HA2 -0.321 3.639 3.960 0.001 0.000 0.216 311 G HA3 -0.321 3.639 3.960 0.001 0.000 0.216 311 G C 1.154 175.969 174.900 -0.143 0.000 1.218 311 G CA 0.972 46.003 45.100 -0.115 0.000 0.788 311 G HN 0.472 nan 8.290 nan 0.000 0.560 312 D N 0.492 120.823 120.400 -0.115 0.000 2.123 312 D HA -0.092 4.548 4.640 0.001 0.000 0.196 312 D C 2.440 178.642 176.300 -0.165 0.000 0.992 312 D CA 0.675 54.599 54.000 -0.127 0.000 0.833 312 D CB -0.181 40.592 40.800 -0.046 0.000 0.954 312 D HN 0.393 nan 8.370 nan 0.000 0.455 313 I N 0.241 120.722 120.570 -0.149 0.000 2.208 313 I HA -0.271 3.899 4.170 0.001 0.000 0.245 313 I C 1.518 177.422 176.117 -0.356 0.000 1.097 313 I CA 0.760 61.885 61.300 -0.292 0.000 1.363 313 I CB -0.196 37.540 38.000 -0.440 0.000 1.051 313 I HN 0.148 nan 8.210 nan 0.000 0.413 314 C N 0.844 119.974 119.300 -0.282 0.000 2.626 314 C HA 0.276 4.736 4.460 0.001 0.000 0.266 314 C C 2.854 177.690 174.990 -0.257 0.000 1.317 314 C CA 0.091 58.954 59.018 -0.258 0.000 1.716 314 C CB -1.531 26.084 27.740 -0.208 0.000 1.819 314 C HN 0.519 nan 8.230 nan 0.000 0.578 315 A N 0.001 122.632 122.820 -0.314 0.000 1.873 315 A HA -0.160 4.161 4.320 0.001 0.000 0.215 315 A C 1.559 178.948 177.584 -0.325 0.000 1.186 315 A CA 1.236 53.059 52.037 -0.356 0.000 0.616 315 A CB -0.862 17.846 19.000 -0.486 0.000 0.823 315 A HN 0.696 nan 8.150 nan 0.000 0.442 316 Y N -0.008 120.178 120.300 -0.189 0.000 2.621 316 Y HA 0.095 4.645 4.550 0.000 0.000 0.330 316 Y C 2.292 178.050 175.900 -0.236 0.000 1.219 316 Y CA -0.227 57.754 58.100 -0.198 0.000 1.286 316 Y CB -0.256 38.069 38.460 -0.226 0.000 1.053 316 Y HN 0.421 nan 8.280 nan 0.000 0.498 317 A N 0.602 123.340 122.820 -0.137 0.000 1.874 317 A HA -0.151 4.169 4.320 0.001 0.000 0.214 317 A C 1.976 179.443 177.584 -0.195 0.000 1.189 317 A CA 0.990 52.897 52.037 -0.217 0.000 0.615 317 A CB -0.410 18.447 19.000 -0.237 0.000 0.830 317 A HN 0.391 nan 8.150 nan 0.000 0.443 318 N N 0.895 119.505 118.700 -0.150 0.000 2.586 318 N HA -0.123 4.617 4.740 0.001 0.000 0.191 318 N C 1.458 176.918 175.510 -0.083 0.000 1.085 318 N CA 1.113 54.091 53.050 -0.121 0.000 0.921 318 N CB -0.302 38.124 38.487 -0.102 0.000 0.954 318 N HN 0.536 nan 8.380 nan 0.000 0.448 319 A N 0.382 123.158 122.820 -0.073 0.000 2.123 319 A HA 0.368 4.689 4.320 0.001 0.000 0.214 319 A C 1.239 178.777 177.584 -0.077 0.000 1.152 319 A CA 0.847 52.853 52.037 -0.051 0.000 0.728 319 A CB -0.344 18.638 19.000 -0.030 0.000 0.814 319 A HN 0.377 nan 8.150 nan 0.000 0.464 320 G N -1.768 106.947 108.800 -0.141 0.000 2.829 320 G HA2 -0.096 3.864 3.960 0.001 0.000 0.628 320 G HA3 -0.096 3.864 3.960 0.001 0.000 0.628 320 G C -0.315 174.487 174.900 -0.164 0.000 1.412 320 G CA -0.325 44.699 45.100 -0.127 0.000 0.864 320 G HN 0.427 nan 8.290 nan 0.000 0.544 321 F N 0.619 120.561 119.950 -0.012 0.000 2.399 321 F HA 0.563 5.090 4.527 0.000 0.000 0.313 321 F C 1.806 177.590 175.800 -0.027 0.000 1.202 321 F CA 0.423 58.411 58.000 -0.020 0.000 1.192 321 F CB 0.603 39.597 39.000 -0.010 0.000 1.256 321 F HN 0.789 nan 8.300 nan 0.000 0.558 322 T N -1.102 113.563 114.554 0.186 0.000 2.828 322 T HA 0.433 4.783 4.350 0.001 0.000 0.290 322 T C 1.038 175.783 174.700 0.076 0.000 1.019 322 T CA -0.378 61.771 62.100 0.082 0.000 1.031 322 T CB 1.192 70.089 68.868 0.047 0.000 1.001 322 T HN 0.699 nan 8.240 nan 0.000 0.531 323 A N 0.771 123.614 122.820 0.038 0.000 1.859 323 A HA -0.169 4.151 4.320 0.001 0.000 0.217 323 A C 2.292 179.876 177.584 -0.001 0.000 1.198 323 A CA 2.143 54.192 52.037 0.021 0.000 0.629 323 A CB -1.360 17.649 19.000 0.014 0.000 0.830 323 A HN 1.068 nan 8.150 nan 0.000 0.446 324 E N -1.251 118.946 120.200 -0.003 0.000 2.160 324 E HA -0.250 4.100 4.350 0.001 0.000 0.195 324 E C 2.283 178.863 176.600 -0.034 0.000 0.991 324 E CA 1.055 57.443 56.400 -0.020 0.000 0.810 324 E CB -0.073 29.615 29.700 -0.019 0.000 0.742 324 E HN 0.347 nan 8.360 nan 0.000 0.466 325 R N 0.215 120.707 120.500 -0.014 0.000 2.075 325 R HA 0.048 4.388 4.340 0.001 0.000 0.226 325 R C 2.140 178.345 176.300 -0.159 0.000 1.114 325 R CA 1.192 57.269 56.100 -0.038 0.000 0.972 325 R CB -0.751 29.594 30.300 0.075 0.000 0.869 325 R HN 0.256 nan 8.270 nan 0.000 0.437 326 A N 0.580 123.326 122.820 -0.123 0.000 1.978 326 A HA -0.169 4.151 4.320 0.001 0.000 0.220 326 A C 2.265 179.694 177.584 -0.258 0.000 1.170 326 A CA 1.491 53.386 52.037 -0.238 0.000 0.636 326 A CB -0.344 18.606 19.000 -0.084 0.000 0.810 326 A HN 0.255 nan 8.150 nan 0.000 0.448 327 R N -1.268 119.136 120.500 -0.160 0.000 2.075 327 R HA -0.049 4.291 4.340 0.001 0.000 0.226 327 R C 2.531 178.753 176.300 -0.130 0.000 1.114 327 R CA 1.260 57.282 56.100 -0.130 0.000 0.972 327 R CB -0.249 30.012 30.300 -0.067 0.000 0.869 327 R HN 0.752 nan 8.270 nan 0.000 0.437 328 Q N 0.670 120.397 119.800 -0.122 0.000 2.084 328 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 328 Q C 1.948 177.863 176.000 -0.142 0.000 0.978 328 Q CA 1.319 57.059 55.803 -0.105 0.000 0.844 328 Q CB 0.061 28.753 28.738 -0.076 0.000 0.898 328 Q HN 0.348 nan 8.270 nan 0.000 0.426 329 L N 0.591 121.682 121.223 -0.220 0.000 2.056 329 L HA -0.141 4.199 4.340 0.001 0.000 0.207 329 L C 2.575 179.297 176.870 -0.246 0.000 1.078 329 L CA 1.378 56.058 54.840 -0.266 0.000 0.749 329 L CB -0.480 41.309 42.059 -0.450 0.000 0.901 329 L HN 0.287 nan 8.230 nan 0.000 0.433 330 S N -0.759 114.785 115.700 -0.260 0.000 2.507 330 S HA -0.164 4.307 4.470 0.001 0.000 0.235 330 S C 1.953 176.468 174.600 -0.141 0.000 0.988 330 S CA 0.632 58.699 58.200 -0.222 0.000 0.944 330 S CB -0.288 62.764 63.200 -0.248 0.000 0.762 330 S HN 0.375 nan 8.310 nan 0.000 0.526 331 R N 0.651 121.076 120.500 -0.124 0.000 2.090 331 R HA 0.295 4.635 4.340 0.001 0.000 0.219 331 R C 2.069 178.321 176.300 -0.079 0.000 1.100 331 R CA 0.609 56.659 56.100 -0.083 0.000 0.991 331 R CB -0.230 30.029 30.300 -0.069 0.000 0.893 331 R HN 0.411 nan 8.270 nan 0.000 0.443 332 L N 0.421 121.587 121.223 -0.095 0.000 2.109 332 L HA -0.026 4.315 4.340 0.001 0.000 0.207 332 L C 1.261 178.074 176.870 -0.094 0.000 1.086 332 L CA 1.067 55.858 54.840 -0.082 0.000 0.760 332 L CB -0.440 41.566 42.059 -0.087 0.000 0.910 332 L HN 0.245 nan 8.230 nan 0.000 0.437 333 T N -2.731 111.744 114.554 -0.132 0.000 2.867 333 T HA 0.395 4.745 4.350 0.001 0.000 0.282 333 T C 0.969 175.597 174.700 -0.120 0.000 1.000 333 T CA -0.271 61.742 62.100 -0.146 0.000 1.042 333 T CB 1.766 70.503 68.868 -0.219 0.000 0.973 333 T HN 0.176 nan 8.240 nan 0.000 0.465 334 G N 2.068 110.813 108.800 -0.093 0.000 3.135 334 G HA2 0.324 4.285 3.960 0.001 0.000 0.208 334 G HA3 0.324 4.285 3.960 0.001 0.000 0.208 334 G C 0.450 175.302 174.900 -0.080 0.000 1.212 334 G CA 0.269 45.327 45.100 -0.070 0.000 0.928 334 G HN 1.162 nan 8.290 nan 0.000 0.500 335 T N -3.485 110.998 114.554 -0.118 0.000 2.893 335 T HA 0.400 4.750 4.350 0.001 0.000 0.293 335 T C -0.465 174.165 174.700 -0.116 0.000 1.027 335 T CA -0.926 61.102 62.100 -0.121 0.000 0.988 335 T CB 2.098 70.849 68.868 -0.195 0.000 1.043 335 T HN 0.204 nan 8.240 nan 0.000 0.461 336 H N 1.687 120.668 119.070 -0.148 0.000 2.815 336 H HA 0.354 4.911 4.556 0.001 0.000 0.350 336 H C -1.190 174.042 175.328 -0.160 0.000 1.080 336 H CA 0.140 56.112 56.048 -0.126 0.000 1.433 336 H CB 0.707 30.419 29.762 -0.083 0.000 1.432 336 H HN 0.468 nan 8.280 nan 0.000 0.592 337 V N 8.829 128.302 119.914 -0.734 0.000 2.376 337 V HA 0.192 4.312 4.120 0.001 0.000 0.287 337 V C -1.780 174.027 176.094 -0.477 0.000 1.015 337 V CA -1.410 60.590 62.300 -0.499 0.000 0.834 337 V CB 1.393 32.951 31.823 -0.442 0.000 1.001 337 V HN 0.786 nan 8.190 nan 0.000 0.428 338 P HA 0.133 nan 4.420 nan 0.000 0.276 338 P C -0.063 177.299 177.300 0.102 0.000 1.264 338 P CA 0.097 63.234 63.100 0.061 0.000 0.815 338 P CB 0.907 32.730 31.700 0.204 0.000 1.121 339 A N -1.518 121.377 122.820 0.125 0.000 2.898 339 A HA 0.398 4.718 4.320 0.001 0.000 0.192 339 A C 0.724 178.356 177.584 0.081 0.000 1.090 339 A CA 0.100 52.210 52.037 0.122 0.000 1.273 339 A CB -0.859 18.193 19.000 0.087 0.000 1.224 339 A HN 0.601 nan 8.150 nan 0.000 0.561 340 G N 2.532 111.377 108.800 0.075 0.000 2.279 340 G HA2 0.479 4.440 3.960 0.001 0.000 0.285 340 G HA3 0.479 4.440 3.960 0.001 0.000 0.285 340 G C 0.689 175.602 174.900 0.022 0.000 0.910 340 G CA 1.684 46.810 45.100 0.045 0.000 1.477 340 G HN 2.381 nan 8.290 nan 0.000 0.385 341 T N -1.431 113.136 114.554 0.021 0.000 0.732 341 T HA -0.018 4.332 4.350 0.001 0.000 0.754 341 T C 0.386 175.085 174.700 -0.001 0.000 0.989 341 T CA 0.111 62.215 62.100 0.008 0.000 3.981 341 T CB -1.234 67.635 68.868 0.002 0.000 2.250 341 T HN 1.876 nan 8.240 nan 0.000 0.392 342 G N 3.639 112.438 108.800 -0.001 0.000 2.770 342 G HA2 0.508 4.468 3.960 0.001 0.000 0.307 342 G HA3 0.508 4.468 3.960 0.001 0.000 0.307 342 G C 0.902 175.785 174.900 -0.028 0.000 0.863 342 G CA 0.192 45.285 45.100 -0.012 0.000 1.595 342 G HN 1.435 nan 8.290 nan 0.000 0.496 343 T N 0.027 114.553 114.554 -0.047 0.000 3.309 343 T HA 0.521 4.871 4.350 0.001 0.000 0.182 343 T C 0.323 174.966 174.700 -0.096 0.000 0.697 343 T CA 0.217 62.277 62.100 -0.067 0.000 2.501 343 T CB 0.453 69.272 68.868 -0.082 0.000 2.296 343 T HN 0.475 nan 8.240 nan 0.000 0.349 344 E N -1.490 118.612 120.200 -0.164 0.000 2.470 344 E HA 0.490 4.840 4.350 0.001 0.000 0.287 344 E C -1.086 175.328 176.600 -0.309 0.000 1.126 344 E CA -0.008 56.284 56.400 -0.181 0.000 0.902 344 E CB 0.949 30.577 29.700 -0.120 0.000 1.196 344 E HN 0.906 nan 8.360 nan 0.000 0.430 345 A N 2.387 125.061 122.820 -0.244 0.000 2.407 345 A HA 0.509 4.830 4.320 0.001 0.000 0.220 345 A C 1.315 178.802 177.584 -0.163 0.000 2.882 345 A CA 0.933 52.806 52.037 -0.272 0.000 1.564 345 A CB -1.256 17.465 19.000 -0.465 0.000 0.204 345 A HN 1.603 nan 8.150 nan 0.000 0.548 346 A N 0.446 123.195 122.820 -0.118 0.000 3.958 346 A HA -0.459 3.861 4.320 0.001 0.000 0.329 346 A C 2.262 179.815 177.584 -0.052 0.000 1.874 346 A CA 3.258 55.257 52.037 -0.064 0.000 0.886 346 A CB -2.015 16.963 19.000 -0.036 0.000 1.111 346 A HN 1.593 nan 8.150 nan 0.000 0.396 347 S N -0.715 114.968 115.700 -0.028 0.000 2.444 347 S HA -0.167 4.303 4.470 0.001 0.000 0.244 347 S C 1.704 176.281 174.600 -0.039 0.000 1.025 347 S CA 1.657 59.852 58.200 -0.009 0.000 0.995 347 S CB -0.437 62.772 63.200 0.015 0.000 0.781 347 S HN 0.475 nan 8.310 nan 0.000 0.496 348 L N 0.313 121.469 121.223 -0.112 0.000 2.115 348 L HA 0.050 4.390 4.340 0.001 0.000 0.200 348 L C 2.479 179.232 176.870 -0.195 0.000 1.094 348 L CA 0.815 55.529 54.840 -0.209 0.000 0.769 348 L CB -0.253 41.565 42.059 -0.403 0.000 0.931 348 L HN 0.150 nan 8.230 nan 0.000 0.455 349 R N 0.125 120.506 120.500 -0.198 0.000 2.133 349 R HA -0.205 4.135 4.340 0.001 0.000 0.247 349 R C 1.365 177.535 176.300 -0.217 0.000 1.151 349 R CA 1.760 57.726 56.100 -0.224 0.000 0.971 349 R CB -0.442 29.745 30.300 -0.188 0.000 0.866 349 R HN 0.401 nan 8.270 nan 0.000 0.447 350 D N -0.423 119.946 120.400 -0.051 0.000 2.363 350 D HA -0.020 4.620 4.640 0.001 0.000 0.226 350 D C 0.569 176.961 176.300 0.154 0.000 1.020 350 D CA 0.875 54.955 54.000 0.132 0.000 0.892 350 D CB 0.354 41.226 40.800 0.120 0.000 0.900 350 D HN 0.300 nan 8.370 nan 0.000 0.531 351 S N -1.065 114.656 115.700 0.035 0.000 3.009 351 S HA 0.238 4.708 4.470 0.001 0.000 0.254 351 S C 0.218 174.819 174.600 0.001 0.000 1.004 351 S CA -0.549 57.687 58.200 0.059 0.000 1.119 351 S CB 0.387 63.614 63.200 0.045 0.000 1.075 351 S HN -0.019 nan 8.310 nan 0.000 0.618 352 L N 1.411 122.574 121.223 -0.100 0.000 2.344 352 L HA 0.724 5.064 4.340 0.001 0.000 0.272 352 L C -0.728 176.055 176.870 -0.145 0.000 1.035 352 L CA -0.767 53.977 54.840 -0.160 0.000 0.807 352 L CB 1.863 43.765 42.059 -0.262 0.000 1.237 352 L HN 0.450 nan 8.230 nan 0.000 0.442 353 C N 4.320 123.566 119.300 -0.090 0.000 3.029 353 C HA 0.376 4.837 4.460 0.001 0.000 0.396 353 C C -1.065 173.892 174.990 -0.055 0.000 1.072 353 C CA -0.919 58.087 59.018 -0.020 0.000 1.269 353 C CB 0.163 27.996 27.740 0.156 0.000 1.684 353 C HN 0.556 nan 8.230 nan 0.000 0.510 354 L N 5.509 126.640 121.223 -0.153 0.000 2.289 354 L HA 0.762 5.103 4.340 0.001 0.000 0.285 354 L C -0.023 176.732 176.870 -0.193 0.000 1.049 354 L CA -0.325 54.414 54.840 -0.167 0.000 0.804 354 L CB 0.226 42.153 42.059 -0.220 0.000 1.195 354 L HN 0.445 nan 8.230 nan 0.000 0.428 355 L N 2.391 123.562 121.223 -0.087 0.000 2.399 355 L HA 0.659 4.999 4.340 0.001 0.000 0.265 355 L C 0.039 176.867 176.870 -0.069 0.000 1.089 355 L CA -0.551 54.274 54.840 -0.026 0.000 0.802 355 L CB 1.163 43.260 42.059 0.062 0.000 1.180 355 L HN 0.618 nan 8.230 nan 0.000 0.454 356 Q N 0.420 120.208 119.800 -0.020 0.000 2.433 356 Q HA 0.391 4.731 4.340 0.001 0.000 0.279 356 Q C -0.983 175.056 176.000 0.065 0.000 1.105 356 Q CA -0.963 54.833 55.803 -0.011 0.000 0.815 356 Q CB 2.082 30.791 28.738 -0.048 0.000 1.403 356 Q HN 0.219 nan 8.270 nan 0.000 0.435 357 K N 0.250 120.679 120.400 0.048 0.000 2.414 357 K HA 0.187 4.507 4.320 0.001 0.000 0.272 357 K C -0.413 176.247 176.600 0.100 0.000 0.993 357 K CA 0.355 56.677 56.287 0.060 0.000 0.964 357 K CB 0.362 32.883 32.500 0.034 0.000 0.925 357 K HN 0.721 nan 8.250 nan 0.000 0.487 358 S N 2.415 118.179 115.700 0.107 0.000 2.495 358 S HA 0.254 4.724 4.470 0.001 0.000 0.273 358 S C -0.476 174.238 174.600 0.189 0.000 1.156 358 S CA -0.558 57.732 58.200 0.149 0.000 1.032 358 S CB -0.096 63.186 63.200 0.137 0.000 1.160 358 S HN 0.522 nan 8.310 nan 0.000 0.489 359 Y N 1.682 122.007 120.300 0.042 0.000 2.308 359 Y HA 0.665 5.216 4.550 0.001 0.000 0.329 359 Y C -0.140 175.766 175.900 0.010 0.000 1.111 359 Y CA -1.098 57.023 58.100 0.034 0.000 1.179 359 Y CB 0.513 39.002 38.460 0.048 0.000 1.201 359 Y HN 0.528 nan 8.280 nan 0.000 0.483 360 R N 6.644 126.973 120.500 -0.285 0.000 2.647 360 R HA 0.114 4.455 4.340 0.001 0.000 0.260 360 R C -1.164 174.911 176.300 -0.375 0.000 1.154 360 R CA -0.820 54.988 56.100 -0.488 0.000 1.029 360 R CB 0.410 30.527 30.300 -0.305 0.000 1.262 360 R HN 0.719 nan 8.270 nan 0.000 0.437 361 F N 1.138 120.886 119.950 -0.335 0.000 2.586 361 F HA 0.414 4.942 4.527 0.001 0.000 0.335 361 F C 1.162 176.962 175.800 0.001 0.000 1.210 361 F CA 1.113 59.074 58.000 -0.065 0.000 1.359 361 F CB -0.011 38.955 39.000 -0.058 0.000 1.142 361 F HN 0.840 nan 8.300 nan 0.000 0.606 362 G N 1.350 110.388 108.800 0.397 0.000 2.866 362 G HA2 -0.018 3.942 3.960 0.001 0.000 0.274 362 G HA3 -0.018 3.942 3.960 0.001 0.000 0.274 362 G C -0.138 174.829 174.900 0.112 0.000 1.413 362 G CA 0.145 45.385 45.100 0.235 0.000 0.997 362 G HN 1.426 nan 8.290 nan 0.000 0.559 363 S N -1.512 114.199 115.700 0.018 0.000 2.755 363 S HA 0.602 5.072 4.470 0.001 0.000 0.286 363 S C -0.425 174.156 174.600 -0.031 0.000 1.207 363 S CA 0.422 58.637 58.200 0.025 0.000 0.892 363 S CB 1.743 64.986 63.200 0.072 0.000 1.240 363 S HN 0.853 nan 8.310 nan 0.000 0.525 364 D N 0.290 120.667 120.400 -0.039 0.000 2.525 364 D HA 0.347 4.987 4.640 0.001 0.000 0.231 364 D C -0.037 176.191 176.300 -0.120 0.000 1.216 364 D CA 0.090 54.047 54.000 -0.071 0.000 0.813 364 D CB 0.401 41.167 40.800 -0.056 0.000 1.108 364 D HN 0.359 nan 8.370 nan 0.000 0.524 365 S N -0.183 115.443 115.700 -0.123 0.000 2.519 365 S HA 0.255 4.725 4.470 0.001 0.000 0.282 365 S C 1.375 175.690 174.600 -0.475 0.000 1.322 365 S CA 1.282 59.305 58.200 -0.295 0.000 1.024 365 S CB -0.070 63.112 63.200 -0.030 0.000 0.777 365 S HN 0.679 nan 8.310 nan 0.000 0.483 366 G N 1.527 109.693 108.800 -1.057 0.000 2.779 366 G HA2 -0.304 3.656 3.960 0.001 0.000 0.284 366 G HA3 -0.304 3.656 3.960 0.001 0.000 0.284 366 G C 0.780 175.401 174.900 -0.465 0.000 1.326 366 G CA 0.321 44.949 45.100 -0.788 0.000 0.983 366 G HN 0.650 nan 8.290 nan 0.000 0.555 367 I N 2.465 122.859 120.570 -0.294 0.000 2.208 367 I HA -0.065 4.106 4.170 0.001 0.000 0.245 367 I C 3.121 179.105 176.117 -0.222 0.000 1.097 367 I CA 1.924 63.085 61.300 -0.231 0.000 1.363 367 I CB -0.864 37.022 38.000 -0.191 0.000 1.051 367 I HN 0.611 nan 8.210 nan 0.000 0.413 368 G N 0.057 108.727 108.800 -0.216 0.000 2.587 368 G HA2 -0.350 3.611 3.960 0.001 0.000 0.217 368 G HA3 -0.350 3.611 3.960 0.001 0.000 0.217 368 G C 1.493 176.297 174.900 -0.160 0.000 1.240 368 G CA 0.869 45.870 45.100 -0.165 0.000 0.794 368 G HN 0.258 nan 8.290 nan 0.000 0.580 369 Q N -0.470 119.199 119.800 -0.219 0.000 2.077 369 Q HA -0.116 4.225 4.340 0.001 0.000 0.206 369 Q C 2.484 178.398 176.000 -0.144 0.000 0.989 369 Q CA 1.463 57.160 55.803 -0.176 0.000 0.853 369 Q CB -0.620 27.975 28.738 -0.238 0.000 0.907 369 Q HN 0.431 nan 8.270 nan 0.000 0.418 370 L N 0.002 121.111 121.223 -0.189 0.000 1.989 370 L HA -0.186 4.154 4.340 0.001 0.000 0.211 370 L C 2.009 178.831 176.870 -0.081 0.000 1.071 370 L CA 2.470 57.227 54.840 -0.137 0.000 0.749 370 L CB -1.268 40.693 42.059 -0.163 0.000 0.890 370 L HN 0.226 nan 8.230 nan 0.000 0.431 371 A N -0.470 122.295 122.820 -0.092 0.000 1.892 371 A HA -0.218 4.102 4.320 0.001 0.000 0.218 371 A C 2.453 180.107 177.584 0.117 0.000 1.188 371 A CA 2.577 54.600 52.037 -0.023 0.000 0.631 371 A CB -1.379 17.553 19.000 -0.114 0.000 0.822 371 A HN 0.665 nan 8.150 nan 0.000 0.447 372 A N -0.270 122.573 122.820 0.039 0.000 1.835 372 A HA 0.135 4.456 4.320 0.001 0.000 0.215 372 A C 2.589 180.177 177.584 0.006 0.000 1.199 372 A CA 2.524 54.579 52.037 0.029 0.000 0.615 372 A CB -1.319 17.676 19.000 -0.008 0.000 0.838 372 A HN 1.240 nan 8.150 nan 0.000 0.444 373 A N -0.180 122.631 122.820 -0.014 0.000 1.940 373 A HA -0.123 4.197 4.320 0.001 0.000 0.219 373 A C 1.964 179.539 177.584 -0.015 0.000 1.176 373 A CA 1.738 53.761 52.037 -0.023 0.000 0.631 373 A CB -0.616 18.362 19.000 -0.037 0.000 0.814 373 A HN 0.445 nan 8.150 nan 0.000 0.446 374 I N 0.671 121.246 120.570 0.007 0.000 2.423 374 I HA -0.186 3.985 4.170 0.001 0.000 0.254 374 I C 1.263 177.388 176.117 0.014 0.000 1.151 374 I CA 1.169 62.484 61.300 0.025 0.000 1.421 374 I CB -1.417 36.629 38.000 0.076 0.000 1.079 374 I HN 0.295 nan 8.210 nan 0.000 0.431 375 N N 0.725 119.424 118.700 -0.002 0.000 2.485 375 N HA -0.051 4.690 4.740 0.001 0.000 0.199 375 N C 1.120 176.577 175.510 -0.088 0.000 1.236 375 N CA 0.353 53.344 53.050 -0.098 0.000 0.852 375 N CB 0.399 38.788 38.487 -0.164 0.000 1.018 375 N HN 0.356 nan 8.380 nan 0.000 0.457 376 R N -1.599 118.868 120.500 -0.055 0.000 3.114 376 R HA 0.245 4.585 4.340 0.001 0.000 0.091 376 R C 0.078 176.355 176.300 -0.038 0.000 0.551 376 R CA -0.070 55.999 56.100 -0.052 0.000 0.367 376 R CB -0.690 29.579 30.300 -0.051 0.000 0.351 376 R HN 0.020 nan 8.270 nan 0.000 0.322 377 G N 0.719 109.500 108.800 -0.031 0.000 2.451 377 G HA2 0.235 4.195 3.960 0.001 0.000 0.303 377 G HA3 0.235 4.195 3.960 0.001 0.000 0.303 377 G C 0.269 175.155 174.900 -0.023 0.000 1.166 377 G CA -0.179 44.906 45.100 -0.025 0.000 0.884 377 G HN 0.292 nan 8.290 nan 0.000 0.514 378 D N 0.686 121.075 120.400 -0.019 0.000 2.095 378 D HA -0.134 4.506 4.640 0.001 0.000 0.192 378 D C 2.369 178.656 176.300 -0.021 0.000 0.990 378 D CA 1.218 55.207 54.000 -0.018 0.000 0.836 378 D CB 0.093 40.888 40.800 -0.008 0.000 0.979 378 D HN 0.498 nan 8.370 nan 0.000 0.447 379 K N 0.143 120.538 120.400 -0.008 0.000 2.127 379 K HA -0.203 4.117 4.320 0.001 0.000 0.212 379 K C 2.142 178.733 176.600 -0.015 0.000 1.050 379 K CA 1.938 58.225 56.287 -0.001 0.000 0.929 379 K CB -0.480 32.024 32.500 0.007 0.000 0.715 379 K HN 0.232 nan 8.250 nan 0.000 0.457 380 T N 1.075 115.617 114.554 -0.020 0.000 2.614 380 T HA -0.142 4.208 4.350 0.001 0.000 0.263 380 T C 2.185 176.855 174.700 -0.050 0.000 1.055 380 T CA 1.293 63.378 62.100 -0.025 0.000 1.162 380 T CB -0.583 68.271 68.868 -0.023 0.000 0.863 380 T HN 0.356 nan 8.240 nan 0.000 0.414 381 A N 1.125 123.911 122.820 -0.057 0.000 2.042 381 A HA -0.094 4.227 4.320 0.001 0.000 0.222 381 A C 2.548 180.047 177.584 -0.143 0.000 1.167 381 A CA 1.705 53.692 52.037 -0.083 0.000 0.649 381 A CB -1.224 17.737 19.000 -0.064 0.000 0.809 381 A HN 0.384 nan 8.150 nan 0.000 0.457 382 V N -0.202 119.623 119.914 -0.149 0.000 2.231 382 V HA -0.186 3.934 4.120 0.001 0.000 0.240 382 V C 1.998 177.795 176.094 -0.495 0.000 1.039 382 V CA 2.035 64.169 62.300 -0.276 0.000 0.998 382 V CB -0.653 31.106 31.823 -0.106 0.000 0.639 382 V HN 0.485 nan 8.190 nan 0.000 0.451 383 K N 0.431 120.696 120.400 -0.224 0.000 2.611 383 K HA -0.005 4.315 4.320 0.001 0.000 0.193 383 K C 1.532 178.093 176.600 -0.066 0.000 1.026 383 K CA 0.995 57.208 56.287 -0.123 0.000 1.063 383 K CB -0.220 32.310 32.500 0.051 0.000 0.839 383 K HN 0.648 nan 8.250 nan 0.000 0.505 384 T N -1.747 112.750 114.554 -0.094 0.000 3.037 384 T HA 0.009 4.360 4.350 0.001 0.000 0.252 384 T C 1.940 176.710 174.700 0.116 0.000 1.073 384 T CA 0.044 62.195 62.100 0.084 0.000 1.091 384 T CB 0.108 69.004 68.868 0.047 0.000 0.935 384 T HN -0.092 nan 8.240 nan 0.000 0.488 385 V N 1.343 121.177 119.914 -0.132 0.000 2.239 385 V HA -0.041 4.079 4.120 0.001 0.000 0.242 385 V C 2.192 178.304 176.094 0.030 0.000 1.038 385 V CA 1.387 63.625 62.300 -0.104 0.000 1.002 385 V CB -1.051 30.580 31.823 -0.321 0.000 0.641 385 V HN 0.252 nan 8.190 nan 0.000 0.449 386 F N -0.201 119.780 119.950 0.051 0.000 2.043 386 F HA -0.111 4.416 4.527 0.001 0.000 0.297 386 F C 1.589 177.384 175.800 -0.008 0.000 1.121 386 F CA 0.284 58.297 58.000 0.021 0.000 1.199 386 F CB -1.414 37.596 39.000 0.016 0.000 0.968 386 F HN 0.100 nan 8.300 nan 0.000 0.478 387 Q N 1.849 121.754 119.800 0.175 0.000 2.368 387 Q HA -0.170 4.170 4.340 0.001 0.000 0.331 387 Q C 1.071 176.977 176.000 -0.158 0.000 1.086 387 Q CA 0.660 56.479 55.803 0.026 0.000 1.031 387 Q CB 0.161 28.916 28.738 0.028 0.000 1.125 387 Q HN 0.537 nan 8.270 nan 0.000 0.389 388 Q N 1.288 120.979 119.800 -0.182 0.000 2.143 388 Q HA -0.349 3.991 4.340 0.001 0.000 0.194 388 Q C -0.700 175.140 176.000 -0.266 0.000 0.692 388 Q CA 1.244 56.879 55.803 -0.281 0.000 1.479 388 Q CB -0.839 27.602 28.738 -0.495 0.000 1.858 388 Q HN 0.788 nan 8.270 nan 0.000 0.667 389 D N -1.396 118.900 120.400 -0.175 0.000 3.508 389 D HA -0.188 4.453 4.640 0.001 0.000 0.232 389 D C -0.223 176.016 176.300 -0.101 0.000 1.131 389 D CA 0.696 54.662 54.000 -0.058 0.000 1.040 389 D CB -1.118 39.672 40.800 -0.017 0.000 0.879 389 D HN 0.334 nan 8.370 nan 0.000 0.407 390 F N 0.395 120.345 119.950 -0.000 0.000 2.706 390 F HA -0.159 4.368 4.527 0.001 0.000 0.295 390 F C 2.367 178.156 175.800 -0.018 0.000 1.228 390 F CA 1.025 59.017 58.000 -0.014 0.000 1.474 390 F CB -0.779 38.203 39.000 -0.030 0.000 1.120 390 F HN 0.536 nan 8.300 nan 0.000 0.605 391 T N -2.303 112.306 114.554 0.092 0.000 11.149 391 T HA -0.503 3.847 4.350 0.001 0.000 0.394 391 T C 1.480 176.211 174.700 0.053 0.000 1.464 391 T CA 1.946 64.081 62.100 0.058 0.000 2.297 391 T CB -1.302 67.584 68.868 0.031 0.000 2.749 391 T HN 0.506 nan 8.240 nan 0.000 0.908 392 D N 2.841 123.270 120.400 0.049 0.000 2.083 392 D HA -0.020 4.621 4.640 0.001 0.000 0.199 392 D C 2.351 178.634 176.300 -0.028 0.000 0.980 392 D CA 1.639 55.644 54.000 0.008 0.000 0.851 392 D CB -0.660 40.145 40.800 0.008 0.000 0.997 392 D HN 0.612 nan 8.370 nan 0.000 0.449 393 I N 1.238 121.804 120.570 -0.006 0.000 2.044 393 I HA -0.245 3.926 4.170 0.001 0.000 0.234 393 I C 1.187 177.256 176.117 -0.081 0.000 1.031 393 I CA 1.472 62.731 61.300 -0.068 0.000 1.305 393 I CB -0.580 37.369 38.000 -0.085 0.000 1.026 393 I HN 0.019 nan 8.210 nan 0.000 0.392 394 E N 1.294 121.488 120.200 -0.010 0.000 2.277 394 E HA 0.360 4.710 4.350 0.001 0.000 0.274 394 E C -0.538 176.067 176.600 0.008 0.000 1.022 394 E CA -0.297 56.090 56.400 -0.021 0.000 0.853 394 E CB 1.175 30.878 29.700 0.005 0.000 1.086 394 E HN 0.225 nan 8.360 nan 0.000 0.397 395 K N 2.661 123.041 120.400 -0.034 0.000 3.088 395 K HA 0.198 4.519 4.320 0.001 0.000 0.193 395 K C -0.909 175.645 176.600 -0.077 0.000 1.176 395 K CA -0.296 55.977 56.287 -0.024 0.000 0.907 395 K CB 1.046 33.540 32.500 -0.009 0.000 1.139 395 K HN 0.205 nan 8.250 nan 0.000 0.597 396 R N 1.753 122.233 120.500 -0.033 0.000 2.316 396 R HA 0.305 4.645 4.340 0.001 0.000 0.314 396 R C -0.451 175.866 176.300 0.029 0.000 1.069 396 R CA -0.098 55.981 56.100 -0.035 0.000 0.959 396 R CB 0.401 30.702 30.300 0.002 0.000 0.987 396 R HN 0.209 nan 8.270 nan 0.000 0.446 397 L N 4.367 125.614 121.223 0.040 0.000 2.385 397 L HA 0.372 4.712 4.340 0.001 0.000 0.273 397 L C -0.038 176.962 176.870 0.217 0.000 0.990 397 L CA -0.820 54.126 54.840 0.177 0.000 0.821 397 L CB 1.909 44.176 42.059 0.347 0.000 1.279 397 L HN 0.467 nan 8.230 nan 0.000 0.412 398 L N 0.948 122.273 121.223 0.170 0.000 2.530 398 L HA 0.320 4.660 4.340 0.001 0.000 0.273 398 L C -0.221 176.746 176.870 0.161 0.000 1.141 398 L CA 0.055 54.983 54.840 0.148 0.000 0.905 398 L CB 0.003 42.129 42.059 0.113 0.000 1.202 398 L HN 0.722 nan 8.230 nan 0.000 0.473 399 Q N 3.814 123.720 119.800 0.178 0.000 2.394 399 Q HA 0.485 4.825 4.340 0.001 0.000 0.259 399 Q C -1.057 175.051 176.000 0.179 0.000 1.021 399 Q CA -0.259 55.658 55.803 0.189 0.000 0.805 399 Q CB 1.296 30.182 28.738 0.247 0.000 1.226 399 Q HN 0.867 nan 8.270 nan 0.000 0.476 400 S N 2.522 118.316 115.700 0.157 0.000 2.596 400 S HA 0.583 5.054 4.470 0.001 0.000 0.305 400 S C -0.113 174.551 174.600 0.106 0.000 1.086 400 S CA 0.447 58.728 58.200 0.135 0.000 0.909 400 S CB 0.685 63.947 63.200 0.105 0.000 1.106 400 S HN 1.085 nan 8.310 nan 0.000 0.450 401 G N 4.776 113.631 108.800 0.091 0.000 2.972 401 G HA2 -0.213 3.748 3.960 0.001 0.000 0.265 401 G HA3 -0.213 3.748 3.960 0.001 0.000 0.265 401 G C 0.277 175.221 174.900 0.073 0.000 1.506 401 G CA 0.504 45.643 45.100 0.065 0.000 1.016 401 G HN 0.760 nan 8.290 nan 0.000 0.563 402 E N 1.060 121.306 120.200 0.077 0.000 2.489 402 E HA 0.180 4.530 4.350 0.001 0.000 0.204 402 E C 0.659 177.313 176.600 0.089 0.000 1.006 402 E CA 0.233 56.683 56.400 0.083 0.000 0.936 402 E CB 0.395 30.132 29.700 0.062 0.000 1.002 402 E HN 0.465 nan 8.360 nan 0.000 0.488 403 D N 0.491 120.945 120.400 0.090 0.000 2.378 403 D HA -0.119 4.521 4.640 0.001 0.000 0.227 403 D C 1.184 177.509 176.300 0.041 0.000 1.012 403 D CA 0.474 54.511 54.000 0.062 0.000 0.905 403 D CB 0.036 40.881 40.800 0.075 0.000 0.895 403 D HN 0.258 nan 8.370 nan 0.000 0.532 404 Y N 1.295 121.570 120.300 -0.042 0.000 2.263 404 Y HA -0.120 4.430 4.550 0.000 0.000 0.292 404 Y C 1.791 177.595 175.900 -0.161 0.000 1.130 404 Y CA 1.047 59.097 58.100 -0.084 0.000 1.179 404 Y CB -0.055 38.370 38.460 -0.058 0.000 0.998 404 Y HN -0.161 nan 8.280 nan 0.000 0.532 405 I N 0.398 120.915 120.570 -0.088 0.000 3.111 405 I HA -0.048 4.122 4.170 0.001 0.000 0.272 405 I C 2.401 178.356 176.117 -0.270 0.000 1.268 405 I CA 1.044 62.216 61.300 -0.213 0.000 1.467 405 I CB -0.808 37.204 38.000 0.019 0.000 1.087 405 I HN 0.270 nan 8.210 nan 0.000 0.467 406 A N 0.615 123.322 122.820 -0.187 0.000 1.898 406 A HA -0.102 4.218 4.320 0.001 0.000 0.214 406 A C 2.310 179.730 177.584 -0.275 0.000 1.183 406 A CA 1.119 53.068 52.037 -0.145 0.000 0.622 406 A CB -0.468 18.499 19.000 -0.055 0.000 0.824 406 A HN 0.350 nan 8.150 nan 0.000 0.444 407 M N 0.296 119.631 119.600 -0.440 0.000 2.067 407 M HA -0.093 4.388 4.480 0.001 0.000 0.260 407 M C 1.976 177.905 176.300 -0.619 0.000 1.069 407 M CA 1.783 56.644 55.300 -0.732 0.000 1.117 407 M CB -1.004 31.018 32.600 -0.963 0.000 1.334 407 M HN 0.406 nan 8.290 nan 0.000 0.407 408 L N 0.171 120.954 121.223 -0.733 0.000 2.211 408 L HA -0.280 4.060 4.340 0.001 0.000 0.216 408 L C 2.266 178.673 176.870 -0.773 0.000 1.092 408 L CA 1.566 55.896 54.840 -0.850 0.000 0.767 408 L CB -0.730 40.568 42.059 -1.270 0.000 0.894 408 L HN 0.441 nan 8.230 nan 0.000 0.437 409 E N 0.174 120.044 120.200 -0.550 0.000 2.014 409 E HA -0.180 4.170 4.350 0.001 0.000 0.190 409 E C 1.754 178.310 176.600 -0.075 0.000 0.980 409 E CA 1.103 57.423 56.400 -0.133 0.000 0.807 409 E CB -0.141 29.566 29.700 0.012 0.000 0.770 409 E HN 0.609 nan 8.360 nan 0.000 0.451 410 E N 0.953 121.097 120.200 -0.093 0.000 2.510 410 E HA -0.063 4.287 4.350 0.001 0.000 0.202 410 E C 1.476 178.011 176.600 -0.108 0.000 1.072 410 E CA 0.568 56.940 56.400 -0.047 0.000 0.883 410 E CB 0.030 29.762 29.700 0.054 0.000 0.818 410 E HN 0.156 nan 8.360 nan 0.000 0.548 411 A N 1.503 124.238 122.820 -0.141 0.000 1.901 411 A HA 0.111 4.431 4.320 0.001 0.000 0.210 411 A C 2.166 179.671 177.584 -0.133 0.000 1.208 411 A CA 0.086 52.053 52.037 -0.116 0.000 0.644 411 A CB -0.236 18.728 19.000 -0.060 0.000 0.863 411 A HN 0.200 nan 8.150 nan 0.000 0.454 412 L N -0.383 120.830 121.223 -0.017 0.000 2.291 412 L HA -0.086 4.254 4.340 0.001 0.000 0.214 412 L C 2.897 179.753 176.870 -0.023 0.000 1.120 412 L CA 0.865 55.752 54.840 0.079 0.000 0.799 412 L CB -0.647 41.531 42.059 0.199 0.000 0.925 412 L HN 0.446 nan 8.230 nan 0.000 0.446 413 A N 0.840 123.597 122.820 -0.105 0.000 1.898 413 A HA -0.053 4.267 4.320 0.001 0.000 0.216 413 A C 2.428 179.833 177.584 -0.298 0.000 1.181 413 A CA 1.550 53.507 52.037 -0.133 0.000 0.620 413 A CB -1.083 17.860 19.000 -0.095 0.000 0.819 413 A HN 0.390 nan 8.150 nan 0.000 0.442 414 G N -1.188 107.210 108.800 -0.670 0.000 2.511 414 G HA2 -0.263 3.697 3.960 0.001 0.000 0.216 414 G HA3 -0.263 3.697 3.960 0.001 0.000 0.216 414 G C 1.294 175.683 174.900 -0.851 0.000 1.218 414 G CA 1.146 45.484 45.100 -1.270 0.000 0.788 414 G HN 0.573 nan 8.290 nan 0.000 0.560 415 Y N 2.334 122.231 120.300 -0.672 0.000 2.751 415 Y HA 0.038 4.588 4.550 0.001 0.000 0.310 415 Y C 2.686 178.554 175.900 -0.054 0.000 1.176 415 Y CA -0.133 57.834 58.100 -0.222 0.000 1.360 415 Y CB -0.369 37.998 38.460 -0.156 0.000 0.999 415 Y HN 0.235 nan 8.280 nan 0.000 0.532 416 G N 0.988 109.779 108.800 -0.014 0.000 2.649 416 G HA2 -0.387 3.573 3.960 0.001 0.000 0.220 416 G HA3 -0.387 3.573 3.960 0.001 0.000 0.220 416 G C 1.713 176.653 174.900 0.067 0.000 1.189 416 G CA 1.539 46.652 45.100 0.021 0.000 0.777 416 G HN 0.377 nan 8.290 nan 0.000 0.602 417 R N -0.828 119.716 120.500 0.074 0.000 2.094 417 R HA -0.163 4.177 4.340 0.001 0.000 0.239 417 R C 2.396 178.788 176.300 0.154 0.000 1.137 417 R CA 1.706 57.865 56.100 0.099 0.000 0.943 417 R CB -0.962 29.400 30.300 0.103 0.000 0.850 417 R HN 0.504 nan 8.270 nan 0.000 0.433 418 Y N 1.842 122.205 120.300 0.105 0.000 2.049 418 Y HA -0.218 4.333 4.550 0.000 0.000 0.277 418 Y C 1.964 177.931 175.900 0.112 0.000 1.143 418 Y CA 1.604 59.792 58.100 0.148 0.000 1.115 418 Y CB -0.555 38.059 38.460 0.256 0.000 0.975 418 Y HN -0.059 nan 8.280 nan 0.000 0.487 419 L N 0.078 121.285 121.223 -0.028 0.000 2.129 419 L HA -0.280 4.061 4.340 0.001 0.000 0.212 419 L C 2.064 178.872 176.870 -0.105 0.000 1.087 419 L CA 1.665 56.429 54.840 -0.125 0.000 0.757 419 L CB -0.633 41.448 42.059 0.037 0.000 0.896 419 L HN 0.316 nan 8.230 nan 0.000 0.434 420 D N -0.170 120.205 120.400 -0.041 0.000 2.194 420 D HA -0.067 4.573 4.640 0.001 0.000 0.204 420 D C 2.427 178.704 176.300 -0.038 0.000 0.964 420 D CA 0.864 54.849 54.000 -0.027 0.000 0.846 420 D CB 0.107 40.909 40.800 0.003 0.000 0.962 420 D HN 0.324 nan 8.370 nan 0.000 0.490 421 L N 0.548 121.744 121.223 -0.046 0.000 2.083 421 L HA -0.129 4.212 4.340 0.001 0.000 0.209 421 L C 2.493 179.325 176.870 -0.063 0.000 1.083 421 L CA 0.602 55.423 54.840 -0.032 0.000 0.752 421 L CB -0.281 41.781 42.059 0.005 0.000 0.899 421 L HN 0.031 nan 8.230 nan 0.000 0.433 422 L N -0.922 120.219 121.223 -0.137 0.000 2.027 422 L HA -0.238 4.103 4.340 0.001 0.000 0.206 422 L C 2.653 179.483 176.870 -0.066 0.000 1.074 422 L CA 1.327 56.094 54.840 -0.122 0.000 0.745 422 L CB -0.595 41.346 42.059 -0.197 0.000 0.898 422 L HN 0.302 nan 8.230 nan 0.000 0.433 423 Q N 0.204 119.967 119.800 -0.063 0.000 2.050 423 Q HA -0.162 4.179 4.340 0.001 0.000 0.202 423 Q C 2.058 178.043 176.000 -0.024 0.000 0.980 423 Q CA 1.578 57.359 55.803 -0.036 0.000 0.840 423 Q CB -0.109 28.611 28.738 -0.030 0.000 0.898 423 Q HN 0.520 nan 8.270 nan 0.000 0.424 424 A N 0.324 123.131 122.820 -0.021 0.000 2.255 424 A HA -0.029 4.291 4.320 0.001 0.000 0.206 424 A C 1.078 178.657 177.584 -0.009 0.000 1.193 424 A CA 0.834 52.865 52.037 -0.011 0.000 0.794 424 A CB -0.333 18.664 19.000 -0.005 0.000 0.794 424 A HN 0.501 nan 8.150 nan 0.000 0.481 425 R N -2.392 118.099 120.500 -0.015 0.000 4.018 425 R HA -0.268 4.073 4.340 0.001 0.000 0.353 425 R C 0.426 176.723 176.300 -0.004 0.000 1.214 425 R CA 1.061 57.154 56.100 -0.011 0.000 1.059 425 R CB -2.723 27.573 30.300 -0.007 0.000 1.512 425 R HN 0.981 nan 8.270 nan 0.000 0.566 426 A N 1.191 124.011 122.820 -0.001 0.000 2.729 426 A HA 0.020 4.340 4.320 0.001 0.000 0.291 426 A C 1.003 178.594 177.584 0.013 0.000 1.574 426 A CA 0.789 52.831 52.037 0.009 0.000 1.194 426 A CB -0.421 18.588 19.000 0.015 0.000 1.047 426 A HN 0.539 nan 8.150 nan 0.000 0.578 427 E N 2.526 122.734 120.200 0.013 0.000 2.494 427 E HA 0.020 4.371 4.350 0.001 0.000 0.193 427 E C -0.942 175.673 176.600 0.026 0.000 1.074 427 E CA -0.546 55.864 56.400 0.017 0.000 0.867 427 E CB -0.075 29.632 29.700 0.011 0.000 0.924 427 E HN 0.763 nan 8.360 nan 0.000 0.502 428 P HA 0.018 nan 4.420 nan 0.000 0.333 428 P C -0.110 177.218 177.300 0.047 0.000 1.343 428 P CA 0.095 63.216 63.100 0.034 0.000 0.761 428 P CB 0.350 32.070 31.700 0.033 0.000 1.701 429 D N -0.899 119.531 120.400 0.050 0.000 2.328 429 D HA 0.090 4.731 4.640 0.001 0.000 0.221 429 D C 1.627 177.976 176.300 0.082 0.000 1.072 429 D CA 0.225 54.263 54.000 0.062 0.000 0.850 429 D CB 0.068 40.899 40.800 0.052 0.000 0.922 429 D HN 0.197 nan 8.370 nan 0.000 0.516 430 L N 0.261 121.533 121.223 0.082 0.000 2.478 430 L HA 0.072 4.412 4.340 0.001 0.000 0.223 430 L C 2.204 179.160 176.870 0.142 0.000 1.140 430 L CA 0.331 55.229 54.840 0.097 0.000 0.842 430 L CB -0.156 41.949 42.059 0.077 0.000 0.953 430 L HN 0.000 nan 8.230 nan 0.000 0.452 431 I N -0.401 120.264 120.570 0.157 0.000 2.439 431 I HA -0.221 3.950 4.170 0.001 0.000 0.251 431 I C 2.379 178.683 176.117 0.312 0.000 1.139 431 I CA 0.718 62.172 61.300 0.256 0.000 1.438 431 I CB -0.055 38.070 38.000 0.209 0.000 1.085 431 I HN 0.164 nan 8.210 nan 0.000 0.427 432 I N 0.851 121.543 120.570 0.203 0.000 2.133 432 I HA -0.265 3.905 4.170 0.001 0.000 0.238 432 I C 2.536 178.778 176.117 0.207 0.000 1.074 432 I CA 1.734 63.145 61.300 0.185 0.000 1.342 432 I CB -1.309 36.765 38.000 0.122 0.000 1.053 432 I HN 0.358 nan 8.210 nan 0.000 0.404 433 Q N 0.330 120.227 119.800 0.163 0.000 2.291 433 Q HA -0.116 4.224 4.340 0.001 0.000 0.206 433 Q C 2.228 178.326 176.000 0.163 0.000 0.976 433 Q CA 1.451 57.339 55.803 0.143 0.000 0.875 433 Q CB -0.135 28.666 28.738 0.105 0.000 0.927 433 Q HN 0.540 nan 8.270 nan 0.000 0.450 434 A N 0.189 123.138 122.820 0.215 0.000 1.970 434 A HA -0.120 4.201 4.320 0.001 0.000 0.216 434 A C 1.712 179.454 177.584 0.262 0.000 1.170 434 A CA 0.546 52.734 52.037 0.251 0.000 0.645 434 A CB -0.432 18.767 19.000 0.333 0.000 0.816 434 A HN 0.381 nan 8.150 nan 0.000 0.447 435 F N 2.082 122.067 119.950 0.058 0.000 2.259 435 F HA -0.074 4.453 4.527 0.001 0.000 0.298 435 F C 1.890 177.667 175.800 -0.039 0.000 1.088 435 F CA 1.405 59.326 58.000 -0.132 0.000 1.358 435 F CB -0.115 38.718 39.000 -0.278 0.000 1.040 435 F HN 0.452 nan 8.300 nan 0.000 0.505 436 N N 0.429 119.146 118.700 0.028 0.000 2.515 436 N HA -0.115 4.625 4.740 0.001 0.000 0.191 436 N C 1.039 176.594 175.510 0.074 0.000 1.182 436 N CA 0.614 53.707 53.050 0.072 0.000 0.879 436 N CB -0.326 38.297 38.487 0.226 0.000 0.984 436 N HN 0.501 nan 8.380 nan 0.000 0.453 437 E N -0.957 119.236 120.200 -0.012 0.000 2.190 437 E HA -0.015 4.336 4.350 0.001 0.000 0.191 437 E C -0.602 175.989 176.600 -0.015 0.000 0.978 437 E CA 0.468 56.888 56.400 0.032 0.000 0.839 437 E CB 0.313 30.051 29.700 0.063 0.000 0.787 437 E HN 0.335 nan 8.360 nan 0.000 0.473 438 Y N 0.304 120.341 120.300 -0.438 0.000 2.492 438 Y HA 0.385 4.935 4.550 0.000 0.000 0.346 438 Y C -1.358 173.914 175.900 -1.047 0.000 0.997 438 Y CA -0.892 56.776 58.100 -0.720 0.000 1.025 438 Y CB 1.948 39.787 38.460 -1.035 0.000 1.263 438 Y HN -0.262 nan 8.280 nan 0.000 0.454 439 Q N 4.075 123.052 119.800 -1.371 0.000 2.352 439 Q HA 0.476 4.817 4.340 0.001 0.000 0.270 439 Q C -2.224 173.294 176.000 -0.803 0.000 1.006 439 Q CA -0.414 54.737 55.803 -1.086 0.000 0.880 439 Q CB 1.773 29.580 28.738 -1.552 0.000 1.392 439 Q HN 0.843 nan 8.270 nan 0.000 0.401 440 L N 3.672 124.666 121.223 -0.382 0.000 2.375 440 L HA 0.599 4.940 4.340 0.001 0.000 0.271 440 L C -0.518 176.299 176.870 -0.087 0.000 1.107 440 L CA -0.683 54.062 54.840 -0.157 0.000 0.806 440 L CB 0.752 42.851 42.059 0.066 0.000 1.146 440 L HN 0.572 nan 8.230 nan 0.000 0.447 441 L N 2.698 123.910 121.223 -0.020 0.000 2.436 441 L HA 0.548 4.888 4.340 0.001 0.000 0.268 441 L C -0.921 175.993 176.870 0.072 0.000 0.974 441 L CA -0.624 54.232 54.840 0.027 0.000 0.826 441 L CB 2.011 44.078 42.059 0.013 0.000 1.291 441 L HN 0.735 nan 8.230 nan 0.000 0.406 442 C N -0.176 119.179 119.300 0.092 0.000 2.898 442 C HA 0.810 5.270 4.460 0.001 0.000 0.304 442 C C 1.210 176.255 174.990 0.092 0.000 1.237 442 C CA -0.487 58.596 59.018 0.110 0.000 1.529 442 C CB 1.244 29.079 27.740 0.158 0.000 2.021 442 C HN 0.943 nan 8.230 nan 0.000 0.474 443 A N 1.214 124.079 122.820 0.074 0.000 1.970 443 A HA 0.305 4.625 4.320 0.001 0.000 0.216 443 A C 0.782 178.409 177.584 0.071 0.000 1.170 443 A CA 0.862 52.935 52.037 0.061 0.000 0.645 443 A CB -0.329 18.688 19.000 0.029 0.000 0.816 443 A HN 0.823 nan 8.150 nan 0.000 0.447 444 L N -2.334 118.943 121.223 0.090 0.000 2.400 444 L HA 0.480 4.820 4.340 0.001 0.000 0.264 444 L C 1.475 178.397 176.870 0.087 0.000 1.061 444 L CA -0.578 54.317 54.840 0.092 0.000 0.799 444 L CB 0.843 42.976 42.059 0.123 0.000 1.240 444 L HN 0.180 nan 8.230 nan 0.000 0.461 445 R N -0.457 120.083 120.500 0.066 0.000 2.254 445 R HA 0.177 4.518 4.340 0.001 0.000 0.193 445 R C -0.084 176.249 176.300 0.055 0.000 0.929 445 R CA 0.267 56.397 56.100 0.050 0.000 1.038 445 R CB 0.655 30.968 30.300 0.021 0.000 1.009 445 R HN 0.671 nan 8.270 nan 0.000 0.512 446 E N -0.755 119.483 120.200 0.063 0.000 2.343 446 E HA 0.477 4.827 4.350 0.001 0.000 0.278 446 E C -1.248 175.391 176.600 0.065 0.000 0.910 446 E CA -0.417 56.014 56.400 0.052 0.000 0.757 446 E CB 1.858 31.579 29.700 0.035 0.000 1.218 446 E HN 0.227 nan 8.360 nan 0.000 0.435 447 G N 3.060 111.884 108.800 0.040 0.000 2.359 447 G HA2 -0.046 3.914 3.960 0.001 0.000 0.303 447 G HA3 -0.046 3.914 3.960 0.001 0.000 0.303 447 G C -2.622 172.233 174.900 -0.076 0.000 1.293 447 G CA -0.446 44.662 45.100 0.014 0.000 0.964 447 G HN 0.407 nan 8.290 nan 0.000 0.531 448 P HA 0.109 nan 4.420 nan 0.000 0.218 448 P C 0.852 177.839 177.300 -0.521 0.000 1.148 448 P CA 1.169 63.945 63.100 -0.539 0.000 0.822 448 P CB -0.005 31.145 31.700 -0.917 0.000 0.784 449 F N -1.015 118.958 119.950 0.039 0.000 2.589 449 F HA 0.532 5.060 4.527 0.000 0.000 0.207 449 F C 1.767 177.620 175.800 0.087 0.000 1.028 449 F CA 0.000 58.060 58.000 0.100 0.000 1.009 449 F CB -1.079 37.971 39.000 0.082 0.000 2.173 449 F HN -0.119 nan 8.300 nan 0.000 0.637 450 G N 0.143 109.130 108.800 0.312 0.000 2.977 450 G HA2 -0.179 3.781 3.960 0.001 0.000 0.308 450 G HA3 -0.179 3.781 3.960 0.001 0.000 0.308 450 G C 0.389 175.376 174.900 0.145 0.000 1.491 450 G CA -0.258 44.953 45.100 0.185 0.000 0.971 450 G HN 0.508 nan 8.290 nan 0.000 0.557 451 V N 1.573 121.556 119.914 0.114 0.000 2.245 451 V HA -0.022 4.098 4.120 0.001 0.000 0.233 451 V C 3.503 179.647 176.094 0.082 0.000 1.028 451 V CA 3.577 65.939 62.300 0.104 0.000 0.991 451 V CB -1.622 30.253 31.823 0.087 0.000 0.640 451 V HN 2.052 nan 8.190 nan 0.000 0.461 452 A N 0.533 123.387 122.820 0.056 0.000 1.984 452 A HA -0.315 4.006 4.320 0.001 0.000 0.224 452 A C 2.274 179.874 177.584 0.027 0.000 1.256 452 A CA 2.887 54.943 52.037 0.032 0.000 0.679 452 A CB -1.528 17.485 19.000 0.021 0.000 0.829 452 A HN 0.742 nan 8.150 nan 0.000 0.483 453 G N -1.256 107.566 108.800 0.036 0.000 2.395 453 G HA2 -0.010 3.951 3.960 0.001 0.000 0.214 453 G HA3 -0.010 3.951 3.960 0.001 0.000 0.214 453 G C 1.530 176.461 174.900 0.052 0.000 1.177 453 G CA 0.728 45.840 45.100 0.019 0.000 0.794 453 G HN 0.430 nan 8.290 nan 0.000 0.532 454 L N 0.345 121.627 121.223 0.098 0.000 2.201 454 L HA -0.066 4.274 4.340 0.001 0.000 0.212 454 L C 2.666 179.614 176.870 0.129 0.000 1.105 454 L CA 0.808 55.734 54.840 0.145 0.000 0.775 454 L CB -0.318 41.849 42.059 0.179 0.000 0.913 454 L HN 0.214 nan 8.230 nan 0.000 0.440 455 N N -0.340 118.415 118.700 0.091 0.000 2.084 455 N HA -0.226 4.514 4.740 0.001 0.000 0.190 455 N C 1.744 177.233 175.510 -0.034 0.000 1.030 455 N CA 1.244 54.310 53.050 0.027 0.000 0.849 455 N CB -0.033 38.441 38.487 -0.022 0.000 1.012 455 N HN 0.291 nan 8.380 nan 0.000 0.423 456 E N 0.748 120.939 120.200 -0.015 0.000 2.001 456 E HA -0.170 4.180 4.350 0.001 0.000 0.195 456 E C 1.706 178.319 176.600 0.022 0.000 1.002 456 E CA 0.840 57.227 56.400 -0.021 0.000 0.819 456 E CB 0.064 29.756 29.700 -0.014 0.000 0.769 456 E HN 0.078 nan 8.360 nan 0.000 0.454 457 R N 0.473 121.011 120.500 0.064 0.000 2.226 457 R HA -0.131 4.209 4.340 0.001 0.000 0.246 457 R C 2.139 178.510 176.300 0.119 0.000 1.161 457 R CA 0.900 57.070 56.100 0.116 0.000 0.997 457 R CB -0.538 29.887 30.300 0.209 0.000 0.870 457 R HN 0.435 nan 8.270 nan 0.000 0.465 458 I N -0.572 120.062 120.570 0.106 0.000 2.556 458 I HA -0.115 4.056 4.170 0.001 0.000 0.251 458 I C 1.737 177.954 176.117 0.167 0.000 1.105 458 I CA 0.424 61.819 61.300 0.157 0.000 1.436 458 I CB -0.173 37.978 38.000 0.252 0.000 1.139 458 I HN 0.095 nan 8.210 nan 0.000 0.438 459 E N 0.652 120.859 120.200 0.012 0.000 2.267 459 E HA -0.316 4.035 4.350 0.001 0.000 0.197 459 E C 1.975 178.577 176.600 0.004 0.000 0.998 459 E CA 1.020 57.365 56.400 -0.091 0.000 0.830 459 E CB -0.090 29.460 29.700 -0.249 0.000 0.751 459 E HN 0.482 nan 8.360 nan 0.000 0.491 460 Q N -0.326 119.507 119.800 0.056 0.000 2.245 460 Q HA -0.124 4.217 4.340 0.001 0.000 0.201 460 Q C 1.592 177.665 176.000 0.121 0.000 0.955 460 Q CA 0.683 56.528 55.803 0.070 0.000 0.870 460 Q CB 0.048 28.834 28.738 0.080 0.000 0.945 460 Q HN 0.231 nan 8.270 nan 0.000 0.461 461 F N 0.214 120.173 119.950 0.015 0.000 2.416 461 F HA 0.121 4.648 4.527 0.000 0.000 0.296 461 F C 1.279 177.095 175.800 0.027 0.000 1.099 461 F CA 0.729 58.741 58.000 0.019 0.000 1.427 461 F CB 0.309 39.319 39.000 0.017 0.000 1.079 461 F HN 0.017 nan 8.300 nan 0.000 0.536 462 M N 0.169 119.870 119.600 0.168 0.000 2.752 462 M HA 0.038 4.519 4.480 0.001 0.000 0.216 462 M C 0.620 176.922 176.300 0.003 0.000 1.261 462 M CA 0.584 55.943 55.300 0.099 0.000 1.020 462 M CB -0.136 32.567 32.600 0.171 0.000 1.686 462 M HN 0.279 nan 8.290 nan 0.000 0.447 463 Q N -1.010 118.757 119.800 -0.054 0.000 2.462 463 Q HA 0.082 4.422 4.340 0.001 0.000 0.194 463 Q C 1.185 177.107 176.000 -0.130 0.000 0.694 463 Q CA -0.045 55.714 55.803 -0.072 0.000 0.873 463 Q CB 0.170 28.879 28.738 -0.049 0.000 1.261 463 Q HN 0.443 nan 8.270 nan 0.000 0.531 464 Q N 0.733 120.412 119.800 -0.201 0.000 2.541 464 Q HA 0.006 4.346 4.340 0.001 0.000 0.215 464 Q C 0.858 176.636 176.000 -0.369 0.000 0.977 464 Q CA 0.903 56.541 55.803 -0.274 0.000 0.934 464 Q CB 0.285 28.835 28.738 -0.313 0.000 0.988 464 Q HN 0.172 nan 8.270 nan 0.000 0.521 465 K N -1.321 118.875 120.400 -0.342 0.000 3.003 465 K HA 0.228 4.548 4.320 0.001 0.000 0.213 465 K C -0.100 176.423 176.600 -0.128 0.000 1.785 465 K CA -0.263 55.862 56.287 -0.270 0.000 1.275 465 K CB 1.274 33.544 32.500 -0.384 0.000 2.112 465 K HN -0.093 nan 8.250 nan 0.000 0.542 525 S N -1.792 113.929 115.700 0.034 0.000 2.588 525 S HA 0.567 5.037 4.470 0.001 0.000 0.269 525 S C -0.161 174.476 174.600 0.063 0.000 1.157 525 S CA 0.764 58.991 58.200 0.046 0.000 0.824 525 S CB 1.741 64.969 63.200 0.046 0.000 1.126 525 S HN 0.631 nan 8.310 nan 0.000 0.464 526 R N 0.731 121.278 120.500 0.079 0.000 4.024 526 R HA -0.183 4.157 4.340 0.001 0.000 0.372 526 R C -0.749 175.618 176.300 0.111 0.000 1.192 526 R CA 1.593 57.757 56.100 0.108 0.000 1.183 526 R CB -2.431 27.941 30.300 0.120 0.000 1.672 526 R HN 0.585 nan 8.270 nan 0.000 0.571 527 L N 2.076 123.348 121.223 0.082 0.000 2.433 527 L HA 0.222 4.562 4.340 0.001 0.000 0.275 527 L C -1.155 175.753 176.870 0.065 0.000 1.128 527 L CA -1.572 53.313 54.840 0.075 0.000 0.875 527 L CB 0.264 42.353 42.059 0.050 0.000 1.171 527 L HN 0.103 nan 8.230 nan 0.000 0.463 528 P HA 0.067 nan 4.420 nan 0.000 0.278 528 P C -0.669 176.589 177.300 -0.069 0.000 1.270 528 P CA -0.239 62.875 63.100 0.023 0.000 0.800 528 P CB 0.372 32.107 31.700 0.058 0.000 1.142 529 E N -0.173 119.905 120.200 -0.202 0.000 6.955 529 E HA -0.084 4.266 4.350 0.001 0.000 0.195 529 E C -0.964 175.474 176.600 -0.269 0.000 0.971 529 E CA -0.075 56.118 56.400 -0.346 0.000 1.582 529 E CB -1.830 27.760 29.700 -0.183 0.000 0.917 529 E HN 0.645 nan 8.360 nan 0.000 0.307 530 H N 0.900 119.920 119.070 -0.085 0.000 1.510 530 H HA -0.177 4.380 4.556 0.001 0.000 0.310 530 H C 0.894 176.202 175.328 -0.034 0.000 0.723 530 H CA 1.361 57.377 56.048 -0.053 0.000 1.075 530 H CB -0.409 29.287 29.762 -0.110 0.000 1.401 530 H HN 0.363 nan 8.280 nan 0.000 0.220 531 E N 1.935 122.194 120.200 0.098 0.000 2.349 531 E HA 0.057 4.408 4.350 0.001 0.000 0.201 531 E C -0.068 176.571 176.600 0.065 0.000 1.087 531 E CA -0.022 56.415 56.400 0.062 0.000 1.128 531 E CB -0.190 29.545 29.700 0.059 0.000 1.188 531 E HN 0.586 nan 8.360 nan 0.000 0.445 532 T N -1.522 113.071 114.554 0.065 0.000 4.221 532 T HA -0.258 4.092 4.350 0.001 0.000 0.343 532 T C 0.795 175.559 174.700 0.107 0.000 0.755 532 T CA 1.032 63.140 62.100 0.013 0.000 1.949 532 T CB -2.864 65.994 68.868 -0.017 0.000 1.874 532 T HN 0.558 nan 8.240 nan 0.000 0.890 533 T N -2.278 112.402 114.554 0.210 0.000 3.407 533 T HA 0.051 4.402 4.350 0.001 0.000 0.204 533 T C 1.319 176.299 174.700 0.467 0.000 0.879 533 T CA 1.284 63.569 62.100 0.308 0.000 2.438 533 T CB -0.183 68.902 68.868 0.362 0.000 1.594 533 T HN 0.682 nan 8.240 nan 0.000 0.353 534 W N 1.623 123.071 121.300 0.246 0.000 0.692 534 W HA -0.338 4.322 4.660 0.000 0.000 0.217 534 W C 0.300 176.933 176.519 0.191 0.000 0.920 534 W CA 1.012 58.465 57.345 0.180 0.000 0.374 534 W CB -1.630 27.840 29.460 0.016 0.000 1.907 534 W HN 0.883 nan 8.180 nan 0.000 1.212 535 A N 0.782 123.819 122.820 0.363 0.000 2.332 535 A HA 0.655 4.975 4.320 0.001 0.000 0.300 535 A C -0.840 176.844 177.584 0.167 0.000 1.153 535 A CA -0.307 51.859 52.037 0.216 0.000 0.764 535 A CB 1.383 20.513 19.000 0.217 0.000 1.174 535 A HN 0.051 nan 8.150 nan 0.000 0.467 536 M N 2.260 121.923 119.600 0.104 0.000 2.508 536 M HA 0.540 5.020 4.480 0.001 0.000 0.327 536 M C 0.608 176.970 176.300 0.104 0.000 1.160 536 M CA -0.574 54.791 55.300 0.108 0.000 0.980 536 M CB 1.714 34.373 32.600 0.098 0.000 1.693 536 M HN 0.800 nan 8.290 nan 0.000 0.452 537 T N 0.723 115.345 114.554 0.113 0.000 2.901 537 T HA 0.301 4.651 4.350 0.001 0.000 0.301 537 T C 1.151 175.933 174.700 0.138 0.000 1.012 537 T CA -0.760 61.409 62.100 0.116 0.000 1.135 537 T CB 0.256 69.184 68.868 0.100 0.000 0.936 537 T HN 0.476 nan 8.240 nan 0.000 0.539 538 V N 2.404 122.391 119.914 0.120 0.000 2.439 538 V HA -0.249 3.872 4.120 0.001 0.000 0.253 538 V C 2.581 178.755 176.094 0.133 0.000 1.074 538 V CA 2.293 64.657 62.300 0.107 0.000 1.076 538 V CB -1.364 30.504 31.823 0.075 0.000 0.664 538 V HN 1.037 nan 8.190 nan 0.000 0.461 539 H N 1.534 120.634 119.070 0.049 0.000 2.253 539 H HA -0.163 4.393 4.556 0.000 0.000 0.296 539 H C 2.309 177.667 175.328 0.050 0.000 1.074 539 H CA 2.342 58.416 56.048 0.042 0.000 1.263 539 H CB -0.165 29.618 29.762 0.035 0.000 1.363 539 H HN 0.408 nan 8.280 nan 0.000 0.489 540 K N 0.448 121.108 120.400 0.432 0.000 2.152 540 K HA -0.099 4.222 4.320 0.001 0.000 0.206 540 K C 2.361 179.080 176.600 0.198 0.000 1.048 540 K CA 1.427 57.902 56.287 0.312 0.000 0.933 540 K CB -0.101 32.516 32.500 0.195 0.000 0.721 540 K HN 0.368 nan 8.250 nan 0.000 0.447 541 S N 0.932 116.743 115.700 0.185 0.000 2.507 541 S HA -0.132 4.338 4.470 0.001 0.000 0.235 541 S C 0.704 175.349 174.600 0.075 0.000 0.988 541 S CA 0.199 58.516 58.200 0.195 0.000 0.944 541 S CB -0.275 63.072 63.200 0.244 0.000 0.762 541 S HN 0.237 nan 8.310 nan 0.000 0.526 542 Q N 0.662 120.481 119.800 0.031 0.000 2.326 542 Q HA 0.324 4.664 4.340 0.001 0.000 0.314 542 Q C 1.325 177.303 176.000 -0.037 0.000 1.091 542 Q CA 0.836 56.618 55.803 -0.034 0.000 0.974 542 Q CB -0.101 28.587 28.738 -0.084 0.000 1.220 542 Q HN 0.634 nan 8.270 nan 0.000 0.398 543 G N 1.677 110.439 108.800 -0.064 0.000 2.196 543 G HA2 -0.293 3.667 3.960 0.001 0.000 0.268 543 G HA3 -0.293 3.667 3.960 0.001 0.000 0.268 543 G C -0.112 174.727 174.900 -0.102 0.000 0.975 543 G CA 0.384 45.445 45.100 -0.065 0.000 0.648 543 G HN 0.504 nan 8.290 nan 0.000 0.538 544 S N 0.269 115.873 115.700 -0.160 0.000 2.513 544 S HA 0.662 5.132 4.470 0.001 0.000 0.299 544 S C -0.354 173.857 174.600 -0.649 0.000 1.087 544 S CA -0.337 57.685 58.200 -0.297 0.000 1.012 544 S CB 1.942 65.047 63.200 -0.157 0.000 1.044 544 S HN 0.672 nan 8.310 nan 0.000 0.485 545 E N 1.347 121.073 120.200 -0.790 0.000 2.293 545 E HA 0.695 5.045 4.350 0.001 0.000 0.270 545 E C -1.623 174.404 176.600 -0.955 0.000 0.879 545 E CA -0.818 55.046 56.400 -0.893 0.000 0.756 545 E CB 1.296 30.750 29.700 -0.409 0.000 1.208 545 E HN 0.398 nan 8.360 nan 0.000 0.428 546 F N 0.779 120.665 119.950 -0.106 0.000 2.577 546 F HA 0.315 4.843 4.527 0.000 0.000 0.318 546 F C 0.763 176.501 175.800 -0.103 0.000 1.065 546 F CA -1.114 56.815 58.000 -0.118 0.000 0.929 546 F CB 1.165 40.053 39.000 -0.187 0.000 1.237 546 F HN 0.329 nan 8.300 nan 0.000 0.468 547 D N -1.216 119.246 120.400 0.104 0.000 2.087 547 D HA -0.151 4.489 4.640 0.001 0.000 0.192 547 D C 0.482 176.810 176.300 0.047 0.000 0.993 547 D CA 1.917 55.944 54.000 0.046 0.000 0.828 547 D CB -0.195 40.639 40.800 0.057 0.000 0.968 547 D HN 0.319 nan 8.370 nan 0.000 0.448 548 H N -0.306 118.751 119.070 -0.022 0.000 2.492 548 H HA 0.687 5.243 4.556 0.000 0.000 0.345 548 H C -1.248 173.925 175.328 -0.260 0.000 1.136 548 H CA -1.001 55.006 56.048 -0.068 0.000 1.202 548 H CB 1.472 31.284 29.762 0.083 0.000 1.524 548 H HN 0.017 nan 8.280 nan 0.000 0.506 549 A N 2.736 125.664 122.820 0.180 0.000 2.488 549 A HA 0.690 5.010 4.320 0.001 0.000 0.295 549 A C -1.466 176.032 177.584 -0.142 0.000 1.045 549 A CA -0.074 51.862 52.037 -0.169 0.000 0.703 549 A CB 1.067 20.045 19.000 -0.037 0.000 1.271 549 A HN 0.804 nan 8.150 nan 0.000 0.400 550 A N 1.440 124.064 122.820 -0.327 0.000 2.355 550 A HA 0.758 5.078 4.320 0.001 0.000 0.317 550 A C -1.142 176.394 177.584 -0.080 0.000 1.094 550 A CA -0.474 51.471 52.037 -0.154 0.000 0.764 550 A CB 1.099 20.103 19.000 0.006 0.000 1.230 550 A HN 1.687 nan 8.150 nan 0.000 0.448 551 L N 2.632 123.818 121.223 -0.061 0.000 2.307 551 L HA 0.755 5.095 4.340 0.001 0.000 0.284 551 L C -1.302 175.629 176.870 0.101 0.000 1.023 551 L CA -0.347 54.495 54.840 0.003 0.000 0.810 551 L CB 1.187 43.225 42.059 -0.034 0.000 1.231 551 L HN 0.536 nan 8.230 nan 0.000 0.423 552 I N 5.947 126.602 120.570 0.142 0.000 2.411 552 I HA 0.402 4.572 4.170 0.001 0.000 0.284 552 I C -0.517 175.662 176.117 0.104 0.000 1.012 552 I CA -0.029 61.393 61.300 0.203 0.000 1.119 552 I CB 1.370 39.534 38.000 0.274 0.000 1.261 552 I HN 0.449 nan 8.210 nan 0.000 0.448 553 L N 7.463 128.701 121.223 0.024 0.000 2.375 553 L HA 0.623 4.963 4.340 0.001 0.000 0.268 553 L C -2.005 174.623 176.870 -0.403 0.000 1.058 553 L CA -1.897 52.878 54.840 -0.109 0.000 0.803 553 L CB 1.110 43.121 42.059 -0.081 0.000 1.212 553 L HN 0.333 nan 8.230 nan 0.000 0.451 554 P HA -0.027 nan 4.420 nan 0.000 0.270 554 P C 0.404 177.175 177.300 -0.882 0.000 1.223 554 P CA -0.051 62.327 63.100 -1.203 0.000 0.785 554 P CB 1.091 32.478 31.700 -0.521 0.000 0.923 555 S N 1.704 116.835 115.700 -0.949 0.000 2.359 555 S HA -0.178 4.292 4.470 0.001 0.000 0.222 555 S C 0.462 174.999 174.600 -0.105 0.000 1.038 555 S CA 1.381 59.473 58.200 -0.180 0.000 1.051 555 S CB -0.317 63.004 63.200 0.201 0.000 0.944 555 S HN 0.656 nan 8.310 nan 0.000 0.433 556 Q N -0.382 119.371 119.800 -0.077 0.000 2.487 556 Q HA 0.595 4.936 4.340 0.001 0.000 0.234 556 Q C -0.576 175.408 176.000 -0.027 0.000 0.828 556 Q CA -0.485 55.295 55.803 -0.039 0.000 0.907 556 Q CB 2.012 30.749 28.738 -0.001 0.000 1.462 556 Q HN 0.325 nan 8.270 nan 0.000 0.442 557 R N -0.529 119.949 120.500 -0.036 0.000 4.667 557 R HA 0.010 4.350 4.340 0.001 0.000 0.243 557 R C -1.260 175.029 176.300 -0.019 0.000 0.883 557 R CA 0.207 56.297 56.100 -0.017 0.000 0.629 557 R CB -0.621 29.680 30.300 0.002 0.000 2.033 557 R HN 0.894 nan 8.270 nan 0.000 0.376 558 T N 0.363 114.915 114.554 -0.003 0.000 0.591 558 T HA -0.131 4.219 4.350 0.001 0.000 0.770 558 T C -1.398 173.307 174.700 0.009 0.000 0.992 558 T CA 0.584 62.689 62.100 0.008 0.000 4.050 558 T CB -0.231 68.642 68.868 0.008 0.000 2.288 558 T HN 0.472 nan 8.240 nan 0.000 0.397 559 P HA 0.144 nan 4.420 nan 0.000 0.245 559 P C 1.527 178.845 177.300 0.031 0.000 1.206 559 P CA -0.021 63.096 63.100 0.028 0.000 0.781 559 P CB 0.062 31.790 31.700 0.046 0.000 0.994 560 V N 0.165 120.098 119.914 0.032 0.000 2.490 560 V HA -0.121 3.999 4.120 0.001 0.000 0.250 560 V C 1.575 177.686 176.094 0.028 0.000 1.061 560 V CA 1.260 63.582 62.300 0.037 0.000 1.064 560 V CB -0.680 31.166 31.823 0.039 0.000 0.670 560 V HN -0.063 nan 8.190 nan 0.000 0.461 561 V N 2.655 122.577 119.914 0.012 0.000 2.276 561 V HA 0.201 4.322 4.120 0.001 0.000 0.249 561 V C 0.684 176.781 176.094 0.005 0.000 1.160 561 V CA 0.332 62.634 62.300 0.003 0.000 1.042 561 V CB -0.316 31.495 31.823 -0.020 0.000 1.224 561 V HN 0.682 nan 8.190 nan 0.000 0.496 562 T N 1.213 115.774 114.554 0.012 0.000 2.889 562 T HA 0.409 4.759 4.350 0.001 0.000 0.278 562 T C 1.148 175.853 174.700 0.008 0.000 0.995 562 T CA -0.590 61.514 62.100 0.007 0.000 0.966 562 T CB 1.732 70.605 68.868 0.008 0.000 1.237 562 T HN 0.337 nan 8.240 nan 0.000 0.591 563 R N 0.325 120.824 120.500 -0.002 0.000 2.088 563 R HA -0.137 4.203 4.340 0.001 0.000 0.232 563 R C 2.145 178.464 176.300 0.032 0.000 1.136 563 R CA 2.158 58.260 56.100 0.002 0.000 0.926 563 R CB -0.695 29.588 30.300 -0.028 0.000 0.837 563 R HN 0.800 nan 8.270 nan 0.000 0.429 564 E N 0.868 121.073 120.200 0.009 0.000 2.233 564 E HA -0.237 4.114 4.350 0.001 0.000 0.199 564 E C 1.821 178.475 176.600 0.090 0.000 1.004 564 E CA 1.385 57.809 56.400 0.039 0.000 0.819 564 E CB -0.272 29.423 29.700 -0.009 0.000 0.738 564 E HN 0.396 nan 8.360 nan 0.000 0.478 565 L N -0.222 121.035 121.223 0.056 0.000 2.044 565 L HA -0.142 4.199 4.340 0.001 0.000 0.205 565 L C 2.020 178.919 176.870 0.048 0.000 1.075 565 L CA 0.919 55.789 54.840 0.051 0.000 0.747 565 L CB -0.055 42.029 42.059 0.041 0.000 0.903 565 L HN 0.044 nan 8.230 nan 0.000 0.435 566 V N -0.587 119.355 119.914 0.047 0.000 2.343 566 V HA -0.336 3.785 4.120 0.001 0.000 0.247 566 V C 2.216 178.326 176.094 0.028 0.000 1.051 566 V CA 2.114 64.430 62.300 0.026 0.000 1.036 566 V CB -0.875 30.961 31.823 0.022 0.000 0.654 566 V HN 0.584 nan 8.190 nan 0.000 0.451 567 Y N 2.184 122.456 120.300 -0.047 0.000 2.145 567 Y HA -0.299 4.251 4.550 0.001 0.000 0.286 567 Y C 2.855 178.722 175.900 -0.056 0.000 1.145 567 Y CA 2.357 60.423 58.100 -0.057 0.000 1.148 567 Y CB -0.627 37.797 38.460 -0.059 0.000 0.981 567 Y HN 0.438 nan 8.280 nan 0.000 0.507 568 T N -1.600 112.957 114.554 0.004 0.000 2.962 568 T HA -0.076 4.274 4.350 0.001 0.000 0.270 568 T C 1.993 176.621 174.700 -0.121 0.000 1.088 568 T CA 0.924 62.977 62.100 -0.078 0.000 1.127 568 T CB -0.824 68.054 68.868 0.016 0.000 0.883 568 T HN 0.384 nan 8.240 nan 0.000 0.493 569 A N 1.338 124.107 122.820 -0.083 0.000 1.854 569 A HA 0.141 4.461 4.320 0.001 0.000 0.214 569 A C 2.608 180.121 177.584 -0.118 0.000 1.192 569 A CA 1.276 53.275 52.037 -0.064 0.000 0.611 569 A CB -1.047 17.934 19.000 -0.032 0.000 0.832 569 A HN 0.368 nan 8.150 nan 0.000 0.442 570 V N 0.980 120.790 119.914 -0.173 0.000 2.287 570 V HA -0.236 3.884 4.120 0.001 0.000 0.248 570 V C 2.782 178.723 176.094 -0.254 0.000 1.053 570 V CA 2.372 64.547 62.300 -0.208 0.000 1.027 570 V CB -1.458 30.225 31.823 -0.235 0.000 0.646 570 V HN 0.822 nan 8.190 nan 0.000 0.447 571 T N -2.029 112.307 114.554 -0.364 0.000 3.228 571 T HA -0.082 4.268 4.350 0.001 0.000 0.261 571 T C 1.675 176.229 174.700 -0.244 0.000 1.171 571 T CA 0.483 62.374 62.100 -0.349 0.000 1.056 571 T CB -0.271 68.310 68.868 -0.480 0.000 0.938 571 T HN 0.275 nan 8.240 nan 0.000 0.539 572 R N 1.240 121.621 120.500 -0.199 0.000 2.140 572 R HA 0.452 4.792 4.340 0.001 0.000 0.213 572 R C 1.340 177.533 176.300 -0.179 0.000 1.059 572 R CA 0.561 56.542 56.100 -0.198 0.000 1.000 572 R CB -0.885 29.369 30.300 -0.077 0.000 0.910 572 R HN 0.558 nan 8.270 nan 0.000 0.455 573 A N 1.219 123.964 122.820 -0.125 0.000 2.388 573 A HA 0.273 4.594 4.320 0.001 0.000 0.257 573 A C 0.811 178.318 177.584 -0.128 0.000 1.095 573 A CA -0.179 51.796 52.037 -0.104 0.000 0.791 573 A CB 0.552 19.482 19.000 -0.116 0.000 1.029 573 A HN 0.191 nan 8.150 nan 0.000 0.489 574 R N 0.632 121.069 120.500 -0.105 0.000 2.146 574 R HA 0.117 4.457 4.340 0.001 0.000 0.206 574 R C 1.540 177.780 176.300 -0.100 0.000 1.049 574 R CA 0.889 56.929 56.100 -0.100 0.000 1.029 574 R CB 0.189 30.444 30.300 -0.076 0.000 0.949 574 R HN 0.812 nan 8.270 nan 0.000 0.471 575 R N -0.392 120.041 120.500 -0.111 0.000 2.242 575 R HA 0.299 4.640 4.340 0.001 0.000 0.138 575 R C 0.289 176.471 176.300 -0.196 0.000 2.004 575 R CA -0.517 55.507 56.100 -0.126 0.000 1.618 575 R CB 0.111 30.353 30.300 -0.097 0.000 1.371 575 R HN -0.153 nan 8.270 nan 0.000 0.480 576 R N 1.415 121.718 120.500 -0.327 0.000 2.441 576 R HA 0.287 4.627 4.340 0.001 0.000 0.284 576 R C -1.076 174.919 176.300 -0.508 0.000 1.070 576 R CA -0.281 55.491 56.100 -0.546 0.000 1.047 576 R CB 0.917 30.577 30.300 -1.067 0.000 1.016 576 R HN 0.047 nan 8.270 nan 0.000 0.477 577 L N 1.604 122.644 121.223 -0.304 0.000 2.471 577 L HA 0.320 4.661 4.340 0.001 0.000 0.263 577 L C -1.220 175.583 176.870 -0.111 0.000 0.985 577 L CA 0.043 54.785 54.840 -0.164 0.000 0.868 577 L CB 1.946 43.910 42.059 -0.157 0.000 1.203 577 L HN 0.423 nan 8.230 nan 0.000 0.429 578 S N 5.542 121.215 115.700 -0.045 0.000 2.499 578 S HA 0.619 5.089 4.470 0.001 0.000 0.279 578 S C -0.468 173.912 174.600 -0.367 0.000 1.219 578 S CA -0.403 57.672 58.200 -0.209 0.000 1.062 578 S CB 1.105 64.202 63.200 -0.172 0.000 0.978 578 S HN 0.649 nan 8.310 nan 0.000 0.489 579 L N 4.562 125.524 121.223 -0.435 0.000 2.401 579 L HA 0.414 4.754 4.340 0.001 0.000 0.263 579 L C -1.627 175.049 176.870 -0.324 0.000 1.004 579 L CA -0.679 53.977 54.840 -0.307 0.000 0.881 579 L CB 0.420 42.384 42.059 -0.158 0.000 1.219 579 L HN 0.744 nan 8.230 nan 0.000 0.441 580 Y N 4.121 124.442 120.300 0.036 0.000 2.627 580 Y HA 0.534 5.084 4.550 0.000 0.000 0.347 580 Y C 0.673 176.600 175.900 0.045 0.000 1.099 580 Y CA -0.262 57.869 58.100 0.051 0.000 1.408 580 Y CB 0.537 39.037 38.460 0.066 0.000 1.247 580 Y HN 0.634 nan 8.280 nan 0.000 0.506 581 A N 1.636 124.535 122.820 0.131 0.000 2.533 581 A HA 0.699 5.019 4.320 0.001 0.000 0.293 581 A C -1.541 176.086 177.584 0.071 0.000 1.228 581 A CA -1.033 51.048 52.037 0.073 0.000 0.689 581 A CB 1.464 20.476 19.000 0.020 0.000 1.303 581 A HN 0.417 nan 8.150 nan 0.000 0.444 582 D N 0.286 120.711 120.400 0.042 0.000 2.362 582 D HA 0.316 4.956 4.640 0.001 0.000 0.247 582 D C -0.419 175.903 176.300 0.038 0.000 1.050 582 D CA -0.380 53.649 54.000 0.049 0.000 0.839 582 D CB 1.669 42.492 40.800 0.040 0.000 1.283 582 D HN 0.604 nan 8.370 nan 0.000 0.477 583 E N 0.303 120.536 120.200 0.055 0.000 2.495 583 E HA -0.123 4.227 4.350 0.001 0.000 0.204 583 E C 1.283 177.906 176.600 0.038 0.000 1.163 583 E CA 0.385 56.816 56.400 0.053 0.000 0.922 583 E CB 0.384 30.141 29.700 0.095 0.000 0.918 583 E HN 0.328 nan 8.360 nan 0.000 0.537 584 R N -0.061 120.455 120.500 0.026 0.000 2.302 584 R HA 0.027 4.368 4.340 0.001 0.000 0.187 584 R C 1.791 178.093 176.300 0.004 0.000 0.904 584 R CA 0.017 56.127 56.100 0.017 0.000 1.105 584 R CB 0.291 30.602 30.300 0.019 0.000 1.239 584 R HN 0.021 nan 8.270 nan 0.000 0.620 585 I N 2.089 122.657 120.570 -0.003 0.000 2.286 585 I HA -0.173 3.998 4.170 0.001 0.000 0.245 585 I C 2.451 178.557 176.117 -0.018 0.000 1.104 585 I CA 0.955 62.244 61.300 -0.020 0.000 1.397 585 I CB -1.223 36.753 38.000 -0.041 0.000 1.072 585 I HN 0.314 nan 8.210 nan 0.000 0.417 586 L N 0.557 121.773 121.223 -0.011 0.000 1.994 586 L HA -0.194 4.146 4.340 0.001 0.000 0.208 586 L C 2.560 179.422 176.870 -0.013 0.000 1.071 586 L CA 1.522 56.353 54.840 -0.014 0.000 0.745 586 L CB -0.108 41.943 42.059 -0.013 0.000 0.892 586 L HN 0.156 nan 8.230 nan 0.000 0.431 587 S N 0.021 115.716 115.700 -0.007 0.000 2.447 587 S HA -0.057 4.413 4.470 0.001 0.000 0.233 587 S C 1.859 176.455 174.600 -0.007 0.000 1.006 587 S CA 0.885 59.081 58.200 -0.007 0.000 0.957 587 S CB -0.147 63.055 63.200 0.003 0.000 0.773 587 S HN 0.639 nan 8.310 nan 0.000 0.507 588 A N 1.728 124.543 122.820 -0.007 0.000 1.861 588 A HA 0.387 4.708 4.320 0.001 0.000 0.212 588 A C 2.378 179.955 177.584 -0.011 0.000 1.199 588 A CA 1.155 53.187 52.037 -0.008 0.000 0.613 588 A CB -1.216 17.779 19.000 -0.009 0.000 0.846 588 A HN 0.468 nan 8.150 nan 0.000 0.446 589 A N 0.123 122.935 122.820 -0.013 0.000 1.892 589 A HA -0.162 4.159 4.320 0.001 0.000 0.218 589 A C 2.021 179.598 177.584 -0.012 0.000 1.188 589 A CA 1.721 53.751 52.037 -0.012 0.000 0.631 589 A CB -0.664 18.328 19.000 -0.013 0.000 0.822 589 A HN 0.404 nan 8.150 nan 0.000 0.447 590 I N -0.439 120.123 120.570 -0.013 0.000 2.381 590 I HA -0.294 3.876 4.170 0.001 0.000 0.255 590 I C 2.509 178.614 176.117 -0.020 0.000 1.140 590 I CA 1.717 63.007 61.300 -0.016 0.000 1.404 590 I CB -0.916 37.073 38.000 -0.018 0.000 1.075 590 I HN 0.406 nan 8.210 nan 0.000 0.433 591 A N -0.548 122.262 122.820 -0.017 0.000 2.063 591 A HA 0.036 4.356 4.320 0.001 0.000 0.211 591 A C 1.350 178.923 177.584 -0.019 0.000 1.177 591 A CA 0.650 52.676 52.037 -0.018 0.000 0.759 591 A CB -0.511 18.481 19.000 -0.014 0.000 0.857 591 A HN 0.477 nan 8.150 nan 0.000 0.468 592 T N -2.010 112.534 114.554 -0.016 0.000 2.849 592 T HA 0.595 4.946 4.350 0.001 0.000 0.284 592 T C -0.093 174.595 174.700 -0.019 0.000 1.004 592 T CA -0.495 61.597 62.100 -0.014 0.000 1.021 592 T CB 1.124 69.987 68.868 -0.007 0.000 1.013 592 T HN 0.228 nan 8.240 nan 0.000 0.527 593 R N 1.263 121.751 120.500 -0.020 0.000 2.985 593 R HA 0.244 4.585 4.340 0.001 0.000 0.259 593 R C -0.593 175.693 176.300 -0.023 0.000 1.815 593 R CA -0.415 55.668 56.100 -0.028 0.000 1.278 593 R CB 0.773 31.047 30.300 -0.044 0.000 1.403 593 R HN 1.086 nan 8.270 nan 0.000 0.534 594 T N 0.892 115.440 114.554 -0.010 0.000 2.270 594 T HA -0.247 4.104 4.350 0.001 0.000 0.316 594 T C 0.444 175.142 174.700 -0.004 0.000 1.081 594 T CA 0.708 62.810 62.100 0.003 0.000 3.303 594 T CB -0.688 68.185 68.868 0.007 0.000 0.833 594 T HN 0.582 nan 8.240 nan 0.000 0.294 595 E N 2.305 122.505 120.200 -0.001 0.000 2.537 595 E HA 0.037 4.387 4.350 0.001 0.000 0.269 595 E C 0.259 176.843 176.600 -0.026 0.000 1.038 595 E CA -0.300 56.086 56.400 -0.023 0.000 0.977 595 E CB 0.543 30.224 29.700 -0.032 0.000 0.973 595 E HN 0.678 nan 8.360 nan 0.000 0.456 596 R N 1.256 121.723 120.500 -0.055 0.000 2.473 596 R HA 0.148 4.488 4.340 0.001 0.000 0.303 596 R C -0.550 175.701 176.300 -0.081 0.000 1.002 596 R CA -0.887 55.183 56.100 -0.050 0.000 0.884 596 R CB 0.848 31.120 30.300 -0.047 0.000 1.173 596 R HN 0.601 nan 8.270 nan 0.000 0.464 597 R N 2.122 122.563 120.500 -0.099 0.000 3.038 597 R HA 0.496 4.836 4.340 0.001 0.000 0.263 597 R C -0.208 176.059 176.300 -0.055 0.000 1.208 597 R CA 0.064 56.083 56.100 -0.135 0.000 1.116 597 R CB -0.019 30.183 30.300 -0.164 0.000 1.045 597 R HN 0.621 nan 8.270 nan 0.000 0.549 598 S N -4.123 111.553 115.700 -0.041 0.000 3.618 598 S HA 0.078 4.548 4.470 0.001 0.000 0.741 598 S C 0.176 174.825 174.600 0.080 0.000 0.965 598 S CA -0.063 58.165 58.200 0.046 0.000 1.137 598 S CB -1.429 61.794 63.200 0.040 0.000 0.686 598 S HN 1.529 nan 8.310 nan 0.000 0.388 599 G N 0.572 109.473 108.800 0.169 0.000 3.528 599 G HA2 0.410 4.370 3.960 0.001 0.000 0.266 599 G HA3 0.410 4.370 3.960 0.001 0.000 0.266 599 G C 1.030 175.945 174.900 0.026 0.000 1.004 599 G CA 0.419 45.617 45.100 0.162 0.000 0.853 599 G HN 0.811 nan 8.290 nan 0.000 0.501 600 L N 0.560 121.769 121.223 -0.024 0.000 2.191 600 L HA -0.036 4.304 4.340 0.001 0.000 0.212 600 L C 3.061 179.878 176.870 -0.088 0.000 1.103 600 L CA 1.201 55.937 54.840 -0.173 0.000 0.769 600 L CB 0.001 42.004 42.059 -0.093 0.000 0.908 600 L HN 0.333 nan 8.230 nan 0.000 0.438 601 A N -0.444 122.399 122.820 0.037 0.000 1.898 601 A HA -0.115 4.206 4.320 0.001 0.000 0.216 601 A C 2.416 180.124 177.584 0.207 0.000 1.181 601 A CA 1.550 53.661 52.037 0.124 0.000 0.620 601 A CB -0.474 18.550 19.000 0.041 0.000 0.819 601 A HN 0.438 nan 8.150 nan 0.000 0.442 602 A N -0.321 122.565 122.820 0.109 0.000 1.874 602 A HA 0.141 4.461 4.320 0.001 0.000 0.214 602 A C 1.970 179.596 177.584 0.070 0.000 1.189 602 A CA 1.038 53.139 52.037 0.106 0.000 0.615 602 A CB -0.601 18.452 19.000 0.087 0.000 0.830 602 A HN 0.415 nan 8.150 nan 0.000 0.443 603 L N -1.327 119.872 121.223 -0.040 0.000 2.450 603 L HA -0.134 4.207 4.340 0.001 0.000 0.225 603 L C 1.575 178.396 176.870 -0.081 0.000 1.145 603 L CA 0.924 55.686 54.840 -0.129 0.000 0.801 603 L CB -0.457 41.424 42.059 -0.296 0.000 0.924 603 L HN 0.460 nan 8.230 nan 0.000 0.447 604 F N -2.129 117.882 119.950 0.102 0.000 2.695 604 F HA 0.059 4.587 4.527 0.000 0.000 0.303 604 F C 1.888 177.689 175.800 0.001 0.000 1.091 604 F CA -0.273 57.784 58.000 0.094 0.000 1.300 604 F CB 0.519 39.650 39.000 0.219 0.000 1.071 604 F HN -0.056 nan 8.300 nan 0.000 0.578 605 S N -0.917 114.890 115.700 0.178 0.000 2.578 605 S HA 0.036 4.507 4.470 0.001 0.000 0.228 605 S C 0.706 175.335 174.600 0.048 0.000 1.022 605 S CA 0.221 58.459 58.200 0.063 0.000 0.967 605 S CB -0.039 63.208 63.200 0.078 0.000 0.914 605 S HN 0.398 nan 8.310 nan 0.000 0.515 606 S N 0.000 115.738 115.700 0.063 0.000 2.498 606 S HA 0.000 4.470 4.470 0.001 0.000 0.327 606 S CA 0.000 58.228 58.200 0.047 0.000 1.107 606 S CB 0.000 63.226 63.200 0.044 0.000 0.593 606 S HN 0.000 nan 8.310 nan 0.000 0.517