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 3n58_1_C DATA FIRST_RESID 6 DATA SEQUENCE SMVVKDISLA DWGRKELDIA ETEMPGLMAA REEFGKSQPL KGARISGSLH DATA SEQUENCE MTIQTAVLIE TLKVLGAEVR WASCNIFSTQ DHAAAAIAAT GTPVFAVKGE DATA SEQUENCE TLEEYWTYTD QIFQWPDGEP SNMILDDGGD ATMYILIGAR AEAGEDVLSN DATA SEQUENCE PQSEEEEVLF AQIKKRMAAT PGFFTKQRAA IKGVTEETTT GVNRLYQLQK DATA SEQUENCE KGLLPFPAIN VNDSVTKSKF DNKYGCKESL VDGIRRGTDV MMAGKVAVVC DATA SEQUENCE GYGDVGKGSA QSLAGAGARV KVTEVDPICA LQAAMDGFEV VTLDDAASTA DATA SEQUENCE DIVVTTTGNK DVITIDHMRK MKDMCIVGNI GHFDNEIQVA ALRNLKWTNV DATA SEQUENCE KPQVDLIEFP DGKRLILLSE GRLLNLGNAT GHPSFVMSAS FTNQVLGQIE DATA SEQUENCE LFTRTDAYKN EVYVLPKHLD EKVARLHLDK LGAKLTVLSE EQAAYIGVTP DATA SEQUENCE QGPFKSEHYR Y 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.535 174.600 -0.108 0.000 1.055 6 S CA 0.000 58.219 58.200 0.032 0.000 1.107 6 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 7 M N 1.663 121.123 119.600 -0.234 0.000 2.605 7 M HA 0.525 5.005 4.480 -0.001 0.000 0.281 7 M C -2.588 173.455 176.300 -0.429 0.000 1.166 7 M CA -0.322 54.605 55.300 -0.623 0.000 0.875 7 M CB 1.740 34.088 32.600 -0.420 0.000 1.732 7 M HN -0.025 nan 8.290 nan 0.000 0.504 8 V N 4.483 124.048 119.914 -0.581 0.000 2.419 8 V HA 0.663 4.783 4.120 -0.001 0.000 0.287 8 V C -0.297 175.611 176.094 -0.310 0.000 1.017 8 V CA -0.528 61.591 62.300 -0.302 0.000 0.844 8 V CB 1.238 32.916 31.823 -0.242 0.000 1.011 8 V HN 0.757 nan 8.190 nan 0.000 0.429 9 V N 2.446 122.245 119.914 -0.191 0.000 3.126 9 V HA 0.716 4.836 4.120 -0.001 0.000 0.314 9 V C 0.953 177.013 176.094 -0.057 0.000 1.138 9 V CA -0.762 61.456 62.300 -0.136 0.000 1.034 9 V CB 2.235 33.974 31.823 -0.140 0.000 1.075 9 V HN 0.505 nan 8.190 nan 0.000 0.442 10 K N 0.508 120.895 120.400 -0.022 0.000 2.057 10 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 10 K C 0.312 176.923 176.600 0.019 0.000 1.049 10 K CA 2.245 58.543 56.287 0.018 0.000 0.931 10 K CB -0.137 32.388 32.500 0.042 0.000 0.714 10 K HN 0.987 nan 8.250 nan 0.000 0.440 11 D N -1.187 119.219 120.400 0.010 0.000 2.369 11 D HA 0.024 4.664 4.640 -0.001 0.000 0.212 11 D C -0.287 176.021 176.300 0.012 0.000 1.326 11 D CA -0.301 53.712 54.000 0.022 0.000 0.933 11 D CB 0.512 41.343 40.800 0.051 0.000 1.516 11 D HN -0.004 nan 8.370 nan 0.000 0.557 12 I N 3.144 123.712 120.570 -0.004 0.000 2.830 12 I HA -0.093 4.076 4.170 -0.001 0.000 0.263 12 I C 1.837 177.960 176.117 0.010 0.000 1.230 12 I CA 1.555 62.846 61.300 -0.015 0.000 1.480 12 I CB -0.026 37.957 38.000 -0.030 0.000 1.095 12 I HN 0.417 nan 8.210 nan 0.000 0.455 13 S N -0.350 115.368 115.700 0.029 0.000 2.555 13 S HA -0.027 4.443 4.470 -0.001 0.000 0.230 13 S C 1.656 176.307 174.600 0.085 0.000 0.978 13 S CA 0.537 58.764 58.200 0.046 0.000 0.934 13 S CB -0.783 62.443 63.200 0.043 0.000 0.766 13 S HN 0.524 nan 8.310 nan 0.000 0.533 14 L N 0.675 121.960 121.223 0.103 0.000 2.599 14 L HA 0.279 4.618 4.340 -0.001 0.000 0.230 14 L C 2.751 179.708 176.870 0.145 0.000 1.141 14 L CA 0.403 55.353 54.840 0.184 0.000 0.877 14 L CB -0.647 41.528 42.059 0.193 0.000 1.009 14 L HN 0.419 nan 8.230 nan 0.000 0.447 15 A N 0.508 123.371 122.820 0.072 0.000 1.908 15 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 15 A C 1.928 179.550 177.584 0.065 0.000 1.181 15 A CA 2.048 54.104 52.037 0.031 0.000 0.627 15 A CB -0.353 18.649 19.000 0.002 0.000 0.818 15 A HN 0.320 nan 8.150 nan 0.000 0.445 16 D N -1.512 118.948 120.400 0.099 0.000 2.097 16 D HA -0.174 4.466 4.640 -0.001 0.000 0.195 16 D C 1.571 177.986 176.300 0.192 0.000 0.989 16 D CA 1.375 55.442 54.000 0.111 0.000 0.827 16 D CB -0.457 40.399 40.800 0.093 0.000 0.966 16 D HN 0.724 nan 8.370 nan 0.000 0.456 17 W N 2.290 123.605 121.300 0.025 0.000 2.335 17 W HA -0.090 4.569 4.660 -0.001 0.000 0.311 17 W C 2.292 178.881 176.519 0.117 0.000 1.213 17 W CA 2.122 59.485 57.345 0.030 0.000 1.274 17 W CB -1.035 28.406 29.460 -0.033 0.000 1.148 17 W HN -0.013 nan 8.180 nan 0.000 0.498 18 G N 0.574 109.410 108.800 0.060 0.000 2.469 18 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.219 18 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.219 18 G C 1.613 176.502 174.900 -0.019 0.000 1.150 18 G CA 1.574 46.631 45.100 -0.072 0.000 0.763 18 G HN 0.289 nan 8.290 nan 0.000 0.561 19 R N 0.890 121.406 120.500 0.027 0.000 2.075 19 R HA 0.051 4.391 4.340 -0.001 0.000 0.232 19 R C 2.440 178.769 176.300 0.049 0.000 1.126 19 R CA 1.686 57.798 56.100 0.019 0.000 0.963 19 R CB -0.529 29.785 30.300 0.022 0.000 0.858 19 R HN 0.371 nan 8.270 nan 0.000 0.435 20 K N 0.291 120.753 120.400 0.104 0.000 2.032 20 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 20 K C 2.059 178.729 176.600 0.115 0.000 1.048 20 K CA 1.941 58.298 56.287 0.118 0.000 0.927 20 K CB -0.152 32.449 32.500 0.169 0.000 0.712 20 K HN 0.332 nan 8.250 nan 0.000 0.441 21 E N 0.700 120.988 120.200 0.146 0.000 2.204 21 E HA -0.169 4.180 4.350 -0.001 0.000 0.195 21 E C 2.028 178.657 176.600 0.050 0.000 0.990 21 E CA 0.758 57.229 56.400 0.118 0.000 0.821 21 E CB -0.054 29.728 29.700 0.137 0.000 0.750 21 E HN 0.232 nan 8.360 nan 0.000 0.477 22 L N 1.100 122.331 121.223 0.014 0.000 2.093 22 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 22 L C 1.922 178.798 176.870 0.010 0.000 1.085 22 L CA 0.944 55.779 54.840 -0.009 0.000 0.755 22 L CB -0.132 41.903 42.059 -0.040 0.000 0.904 22 L HN 0.008 nan 8.230 nan 0.000 0.435 23 D N 0.053 120.467 120.400 0.023 0.000 2.123 23 D HA -0.182 4.457 4.640 -0.001 0.000 0.196 23 D C 2.256 178.576 176.300 0.033 0.000 0.992 23 D CA 1.421 55.437 54.000 0.026 0.000 0.833 23 D CB -0.031 40.788 40.800 0.032 0.000 0.954 23 D HN 0.335 nan 8.370 nan 0.000 0.455 24 I N 0.986 121.584 120.570 0.046 0.000 2.233 24 I HA -0.190 3.979 4.170 -0.001 0.000 0.243 24 I C 2.496 178.645 176.117 0.052 0.000 1.093 24 I CA 0.854 62.185 61.300 0.052 0.000 1.380 24 I CB -0.246 37.794 38.000 0.066 0.000 1.067 24 I HN -0.094 nan 8.210 nan 0.000 0.413 25 A N 0.591 123.440 122.820 0.049 0.000 1.978 25 A HA -0.236 4.083 4.320 -0.001 0.000 0.220 25 A C 2.143 179.759 177.584 0.053 0.000 1.170 25 A CA 1.737 53.806 52.037 0.053 0.000 0.636 25 A CB -0.607 18.415 19.000 0.038 0.000 0.810 25 A HN 0.468 nan 8.150 nan 0.000 0.448 26 E N -0.631 119.590 120.200 0.036 0.000 2.153 26 E HA -0.143 4.206 4.350 -0.001 0.000 0.194 26 E C 2.125 178.748 176.600 0.038 0.000 0.988 26 E CA 1.557 57.975 56.400 0.030 0.000 0.811 26 E CB -0.308 29.401 29.700 0.015 0.000 0.746 26 E HN 0.861 nan 8.360 nan 0.000 0.466 27 T N -0.947 113.633 114.554 0.045 0.000 3.035 27 T HA -0.036 4.313 4.350 -0.001 0.000 0.268 27 T C 1.496 176.245 174.700 0.082 0.000 1.109 27 T CA 0.617 62.747 62.100 0.050 0.000 1.119 27 T CB 0.134 69.027 68.868 0.041 0.000 0.900 27 T HN -0.062 nan 8.240 nan 0.000 0.503 28 E N 0.588 120.851 120.200 0.105 0.000 2.474 28 E HA 0.256 4.605 4.350 -0.001 0.000 0.195 28 E C 0.380 177.105 176.600 0.209 0.000 1.039 28 E CA 0.233 56.744 56.400 0.184 0.000 0.881 28 E CB 0.250 30.051 29.700 0.168 0.000 0.970 28 E HN 0.658 nan 8.360 nan 0.000 0.486 29 M N 1.561 121.224 119.600 0.105 0.000 2.746 29 M HA 0.194 4.673 4.480 -0.001 0.000 0.209 29 M C -1.969 174.321 176.300 -0.017 0.000 1.077 29 M CA -1.430 53.899 55.300 0.049 0.000 0.695 29 M CB 1.574 34.208 32.600 0.057 0.000 1.416 29 M HN -0.238 nan 8.290 nan 0.000 0.459 30 P HA -0.042 nan 4.420 nan 0.000 0.223 30 P C 1.348 178.495 177.300 -0.256 0.000 1.151 30 P CA 1.177 64.184 63.100 -0.155 0.000 0.787 30 P CB 0.215 31.813 31.700 -0.171 0.000 0.788 31 G N 1.064 109.629 108.800 -0.392 0.000 2.433 31 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.216 31 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.216 31 G C 1.659 176.534 174.900 -0.041 0.000 1.186 31 G CA 0.482 45.430 45.100 -0.253 0.000 0.779 31 G HN 0.211 nan 8.290 nan 0.000 0.543 32 L N 0.159 121.390 121.223 0.014 0.000 2.083 32 L HA -0.055 4.284 4.340 -0.001 0.000 0.209 32 L C 3.026 179.908 176.870 0.020 0.000 1.083 32 L CA 0.697 55.562 54.840 0.043 0.000 0.752 32 L CB -0.347 41.748 42.059 0.059 0.000 0.899 32 L HN 0.173 nan 8.230 nan 0.000 0.433 33 M N -0.587 119.008 119.600 -0.007 0.000 2.319 33 M HA -0.071 4.409 4.480 -0.001 0.000 0.265 33 M C 2.471 178.760 176.300 -0.018 0.000 1.068 33 M CA 1.489 56.783 55.300 -0.011 0.000 1.118 33 M CB -1.261 31.329 32.600 -0.017 0.000 1.395 33 M HN 0.247 nan 8.290 nan 0.000 0.435 34 A N 0.126 122.924 122.820 -0.036 0.000 2.014 34 A HA 0.172 4.491 4.320 -0.001 0.000 0.218 34 A C 2.404 179.973 177.584 -0.025 0.000 1.163 34 A CA 1.531 53.540 52.037 -0.047 0.000 0.652 34 A CB -0.600 18.357 19.000 -0.072 0.000 0.808 34 A HN 0.444 nan 8.150 nan 0.000 0.449 35 A N -0.036 122.811 122.820 0.045 0.000 1.968 35 A HA -0.065 4.255 4.320 -0.001 0.000 0.217 35 A C 2.193 179.875 177.584 0.164 0.000 1.169 35 A CA 1.175 53.318 52.037 0.177 0.000 0.638 35 A CB -0.359 18.778 19.000 0.228 0.000 0.812 35 A HN 0.529 nan 8.150 nan 0.000 0.446 36 R N -0.456 120.090 120.500 0.075 0.000 2.075 36 R HA -0.086 4.253 4.340 -0.001 0.000 0.232 36 R C 2.009 178.320 176.300 0.019 0.000 1.126 36 R CA 1.286 57.418 56.100 0.053 0.000 0.963 36 R CB -0.202 30.111 30.300 0.022 0.000 0.858 36 R HN 0.409 nan 8.270 nan 0.000 0.435 37 E N 0.693 120.881 120.200 -0.021 0.000 2.047 37 E HA -0.207 4.142 4.350 -0.001 0.000 0.191 37 E C 1.820 178.354 176.600 -0.111 0.000 0.987 37 E CA 1.172 57.539 56.400 -0.054 0.000 0.799 37 E CB -0.015 29.648 29.700 -0.062 0.000 0.752 37 E HN 0.410 nan 8.360 nan 0.000 0.449 38 E N -0.911 119.160 120.200 -0.215 0.000 2.072 38 E HA -0.113 4.236 4.350 -0.001 0.000 0.190 38 E C 0.932 177.230 176.600 -0.503 0.000 0.982 38 E CA 0.746 56.866 56.400 -0.466 0.000 0.803 38 E CB 0.054 29.273 29.700 -0.801 0.000 0.755 38 E HN 0.139 nan 8.360 nan 0.000 0.453 39 F N -0.904 119.049 119.950 0.006 0.000 2.682 39 F HA 0.376 4.903 4.527 -0.001 0.000 0.308 39 F C 1.734 177.537 175.800 0.005 0.000 1.093 39 F CA 0.140 58.146 58.000 0.009 0.000 1.244 39 F CB 0.481 39.488 39.000 0.012 0.000 1.052 39 F HN 0.054 nan 8.300 nan 0.000 0.573 40 G N 0.812 109.686 108.800 0.124 0.000 2.421 40 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.216 40 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.216 40 G C 1.894 176.833 174.900 0.064 0.000 1.171 40 G CA 1.467 46.614 45.100 0.079 0.000 0.775 40 G HN 0.358 nan 8.290 nan 0.000 0.543 41 K N 0.501 120.931 120.400 0.049 0.000 2.103 41 K HA 0.141 4.460 4.320 -0.001 0.000 0.204 41 K C 2.678 179.312 176.600 0.057 0.000 1.052 41 K CA 1.743 58.054 56.287 0.039 0.000 0.945 41 K CB -1.032 31.480 32.500 0.021 0.000 0.722 41 K HN 0.404 nan 8.250 nan 0.000 0.443 42 S N -0.068 115.683 115.700 0.086 0.000 2.402 42 S HA -0.167 4.302 4.470 -0.001 0.000 0.229 42 S C 0.525 175.190 174.600 0.108 0.000 1.021 42 S CA 1.166 59.432 58.200 0.109 0.000 0.974 42 S CB -0.345 62.959 63.200 0.174 0.000 0.800 42 S HN 0.574 nan 8.310 nan 0.000 0.484 43 Q N 0.140 120.006 119.800 0.110 0.000 2.453 43 Q HA -0.114 4.226 4.340 -0.001 0.000 0.330 43 Q C -1.907 174.138 176.000 0.074 0.000 1.417 43 Q CA 0.841 56.689 55.803 0.075 0.000 0.902 43 Q CB -1.542 27.228 28.738 0.053 0.000 1.154 43 Q HN 0.569 nan 8.270 nan 0.000 0.395 44 P HA -0.126 nan 4.420 nan 0.000 0.225 44 P C 0.993 178.354 177.300 0.101 0.000 1.148 44 P CA 1.032 64.174 63.100 0.070 0.000 0.779 44 P CB 0.169 31.848 31.700 -0.034 0.000 0.780 45 L N -1.705 119.503 121.223 -0.024 0.000 2.728 45 L HA 0.253 4.592 4.340 -0.001 0.000 0.238 45 L C 0.888 177.621 176.870 -0.228 0.000 1.143 45 L CA -0.602 54.093 54.840 -0.243 0.000 0.937 45 L CB -0.176 41.706 42.059 -0.296 0.000 1.225 45 L HN -0.212 nan 8.230 nan 0.000 0.507 46 K N 1.555 121.941 120.400 -0.022 0.000 2.453 46 K HA 0.211 4.530 4.320 -0.001 0.000 0.280 46 K C 1.078 177.722 176.600 0.072 0.000 1.045 46 K CA 1.170 57.463 56.287 0.010 0.000 1.059 46 K CB 0.032 32.562 32.500 0.050 0.000 0.901 46 K HN 0.286 nan 8.250 nan 0.000 0.475 47 G N 2.042 110.843 108.800 0.003 0.000 2.195 47 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.224 47 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.224 47 G C 0.139 175.029 174.900 -0.015 0.000 0.990 47 G CA -0.058 45.089 45.100 0.078 0.000 0.639 47 G HN 0.919 nan 8.290 nan 0.000 0.514 48 A N 0.209 122.765 122.820 -0.440 0.000 2.401 48 A HA 0.765 5.084 4.320 -0.001 0.000 0.259 48 A C 0.599 177.982 177.584 -0.336 0.000 1.103 48 A CA 0.132 51.716 52.037 -0.755 0.000 0.789 48 A CB 0.295 18.563 19.000 -1.219 0.000 1.035 48 A HN 0.470 nan 8.150 nan 0.000 0.491 49 R N 2.380 122.719 120.500 -0.269 0.000 2.402 49 R HA 0.357 4.697 4.340 -0.001 0.000 0.290 49 R C -1.232 175.094 176.300 0.042 0.000 1.321 49 R CA -0.013 55.904 56.100 -0.305 0.000 1.283 49 R CB 0.919 30.721 30.300 -0.829 0.000 1.111 49 R HN 0.697 nan 8.270 nan 0.000 0.578 50 I N 1.746 122.431 120.570 0.191 0.000 2.304 50 I HA 0.187 4.356 4.170 -0.001 0.000 0.291 50 I C 0.055 176.220 176.117 0.081 0.000 1.018 50 I CA -0.311 61.049 61.300 0.100 0.000 1.260 50 I CB 1.688 39.712 38.000 0.040 0.000 1.390 50 I HN 0.360 nan 8.210 nan 0.000 0.475 51 S N 4.842 120.481 115.700 -0.102 0.000 2.430 51 S HA 0.445 4.915 4.470 -0.001 0.000 0.289 51 S C 0.410 174.637 174.600 -0.622 0.000 1.143 51 S CA -0.648 57.291 58.200 -0.435 0.000 1.067 51 S CB 1.223 63.921 63.200 -0.837 0.000 0.964 51 S HN 0.815 nan 8.310 nan 0.000 0.485 52 G N 1.304 109.490 108.800 -1.024 0.000 2.335 52 G HA2 0.482 4.442 3.960 -0.001 0.000 0.316 52 G HA3 0.482 4.442 3.960 -0.001 0.000 0.316 52 G C -0.579 173.443 174.900 -1.464 0.000 1.129 52 G CA -0.513 43.499 45.100 -1.814 0.000 0.899 52 G HN 0.567 nan 8.290 nan 0.000 0.448 53 S N 1.905 117.109 115.700 -0.828 0.000 2.622 53 S HA 0.571 5.041 4.470 -0.001 0.000 0.283 53 S C -1.093 173.354 174.600 -0.254 0.000 1.197 53 S CA -0.611 57.315 58.200 -0.457 0.000 1.146 53 S CB 0.209 63.265 63.200 -0.240 0.000 1.007 53 S HN 0.841 nan 8.310 nan 0.000 0.478 54 L N 5.404 126.562 121.223 -0.108 0.000 2.676 54 L HA 0.419 4.758 4.340 -0.001 0.000 0.262 54 L C -0.887 176.098 176.870 0.192 0.000 0.932 54 L CA -0.192 54.679 54.840 0.052 0.000 0.932 54 L CB 1.128 43.325 42.059 0.230 0.000 1.355 54 L HN 0.678 nan 8.230 nan 0.000 0.421 55 H N 4.647 123.835 119.070 0.197 0.000 3.103 55 H HA -0.157 4.398 4.556 -0.001 0.000 0.245 55 H C 0.494 175.901 175.328 0.132 0.000 0.777 55 H CA 0.784 56.914 56.048 0.136 0.000 1.463 55 H CB 0.144 29.960 29.762 0.090 0.000 1.332 55 H HN 0.678 nan 8.280 nan 0.000 0.489 56 M N 4.558 124.274 119.600 0.194 0.000 3.442 56 M HA 0.020 4.500 4.480 -0.001 0.000 0.232 56 M C 0.139 176.425 176.300 -0.024 0.000 1.508 56 M CA -0.167 55.170 55.300 0.061 0.000 1.647 56 M CB -0.756 31.869 32.600 0.041 0.000 1.126 56 M HN 0.607 nan 8.290 nan 0.000 0.557 57 T N -1.162 113.385 114.554 -0.011 0.000 2.923 57 T HA 0.425 4.775 4.350 -0.001 0.000 0.281 57 T C 1.418 176.039 174.700 -0.132 0.000 0.995 57 T CA -1.033 61.029 62.100 -0.064 0.000 0.985 57 T CB 0.849 69.728 68.868 0.018 0.000 1.114 57 T HN 0.304 nan 8.240 nan 0.000 0.548 58 I N 0.611 121.079 120.570 -0.170 0.000 2.248 58 I HA -0.174 3.995 4.170 -0.001 0.000 0.248 58 I C 2.532 178.611 176.117 -0.064 0.000 1.107 58 I CA 1.594 62.795 61.300 -0.165 0.000 1.373 58 I CB -1.435 36.485 38.000 -0.133 0.000 1.055 58 I HN 0.662 nan 8.210 nan 0.000 0.418 59 Q N 0.252 120.069 119.800 0.030 0.000 2.046 59 Q HA -0.113 4.226 4.340 -0.001 0.000 0.200 59 Q C 2.293 178.431 176.000 0.230 0.000 0.975 59 Q CA 2.006 57.909 55.803 0.167 0.000 0.836 59 Q CB -0.904 27.958 28.738 0.207 0.000 0.896 59 Q HN 0.399 nan 8.270 nan 0.000 0.428 60 T N 0.772 115.411 114.554 0.143 0.000 2.759 60 T HA -0.182 4.167 4.350 -0.001 0.000 0.269 60 T C 1.829 176.282 174.700 -0.412 0.000 1.042 60 T CA 1.283 63.261 62.100 -0.204 0.000 1.140 60 T CB -0.477 68.291 68.868 -0.167 0.000 0.864 60 T HN 0.422 nan 8.240 nan 0.000 0.455 61 A N 1.137 123.773 122.820 -0.306 0.000 1.908 61 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 61 A C 2.583 180.013 177.584 -0.256 0.000 1.181 61 A CA 1.599 53.439 52.037 -0.328 0.000 0.627 61 A CB -1.066 17.778 19.000 -0.260 0.000 0.818 61 A HN 0.379 nan 8.150 nan 0.000 0.445 62 V N -0.047 119.776 119.914 -0.151 0.000 2.392 62 V HA -0.254 3.866 4.120 -0.001 0.000 0.249 62 V C 2.491 178.510 176.094 -0.126 0.000 1.059 62 V CA 1.956 64.200 62.300 -0.093 0.000 1.051 62 V CB -1.005 30.815 31.823 -0.005 0.000 0.658 62 V HN 0.626 nan 8.190 nan 0.000 0.455 63 L N 0.211 121.313 121.223 -0.202 0.000 2.005 63 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 63 L C 2.239 178.912 176.870 -0.328 0.000 1.072 63 L CA 1.810 56.478 54.840 -0.287 0.000 0.744 63 L CB -0.610 41.066 42.059 -0.638 0.000 0.895 63 L HN 0.193 nan 8.230 nan 0.000 0.433 64 I N -0.070 120.194 120.570 -0.510 0.000 2.145 64 I HA -0.356 3.813 4.170 -0.001 0.000 0.244 64 I C 2.475 178.430 176.117 -0.271 0.000 1.075 64 I CA 1.947 62.937 61.300 -0.517 0.000 1.332 64 I CB -0.474 37.098 38.000 -0.712 0.000 1.033 64 I HN 0.435 nan 8.210 nan 0.000 0.410 65 E N -0.076 119.991 120.200 -0.223 0.000 2.204 65 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 65 E C 2.108 178.652 176.600 -0.093 0.000 0.989 65 E CA 1.589 57.907 56.400 -0.137 0.000 0.824 65 E CB -0.098 29.532 29.700 -0.116 0.000 0.756 65 E HN 0.537 nan 8.360 nan 0.000 0.477 66 T N 1.716 116.214 114.554 -0.094 0.000 2.737 66 T HA -0.089 4.260 4.350 -0.001 0.000 0.265 66 T C 2.037 176.708 174.700 -0.048 0.000 1.038 66 T CA 0.680 62.751 62.100 -0.050 0.000 1.144 66 T CB -0.191 68.658 68.868 -0.032 0.000 0.866 66 T HN 0.086 nan 8.240 nan 0.000 0.434 67 L N 0.519 121.694 121.223 -0.078 0.000 2.043 67 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 67 L C 2.615 179.450 176.870 -0.058 0.000 1.075 67 L CA 1.518 56.318 54.840 -0.068 0.000 0.752 67 L CB -0.497 41.528 42.059 -0.056 0.000 0.891 67 L HN 0.235 nan 8.230 nan 0.000 0.432 68 K N -0.570 119.795 120.400 -0.058 0.000 2.057 68 K HA -0.094 4.225 4.320 -0.001 0.000 0.206 68 K C 2.019 178.602 176.600 -0.028 0.000 1.050 68 K CA 0.891 57.153 56.287 -0.042 0.000 0.935 68 K CB -0.203 32.269 32.500 -0.047 0.000 0.715 68 K HN 0.044 nan 8.250 nan 0.000 0.439 69 V N 1.306 121.206 119.914 -0.024 0.000 2.594 69 V HA -0.185 3.935 4.120 -0.001 0.000 0.253 69 V C 1.601 177.702 176.094 0.012 0.000 1.069 69 V CA 1.330 63.628 62.300 -0.004 0.000 1.082 69 V CB -0.244 31.580 31.823 0.002 0.000 0.680 69 V HN 0.221 nan 8.190 nan 0.000 0.469 70 L N -0.003 121.222 121.223 0.003 0.000 2.591 70 L HA 0.352 4.691 4.340 -0.001 0.000 0.228 70 L C 1.706 178.564 176.870 -0.020 0.000 1.133 70 L CA 1.370 56.216 54.840 0.010 0.000 0.880 70 L CB -0.089 41.961 42.059 -0.014 0.000 1.033 70 L HN 0.414 nan 8.230 nan 0.000 0.450 71 G N -1.861 106.921 108.800 -0.029 0.000 2.211 71 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.201 71 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.201 71 G C 0.539 175.395 174.900 -0.073 0.000 0.997 71 G CA -0.104 44.974 45.100 -0.037 0.000 0.652 71 G HN 0.573 nan 8.290 nan 0.000 0.500 72 A N 0.152 122.913 122.820 -0.098 0.000 2.351 72 A HA 0.672 4.991 4.320 -0.001 0.000 0.257 72 A C 0.240 177.809 177.584 -0.025 0.000 1.087 72 A CA 0.211 52.178 52.037 -0.117 0.000 0.798 72 A CB 0.426 19.346 19.000 -0.134 0.000 1.033 72 A HN 0.388 nan 8.150 nan 0.000 0.488 73 E N -0.318 119.895 120.200 0.023 0.000 2.179 73 E HA 0.495 4.844 4.350 -0.001 0.000 0.275 73 E C -0.828 175.954 176.600 0.303 0.000 0.945 73 E CA -0.612 55.885 56.400 0.162 0.000 0.792 73 E CB 1.925 31.763 29.700 0.229 0.000 1.125 73 E HN 0.640 nan 8.360 nan 0.000 0.397 74 V N 0.474 120.539 119.914 0.252 0.000 2.962 74 V HA 0.693 4.813 4.120 -0.001 0.000 0.313 74 V C -0.991 175.112 176.094 0.014 0.000 1.099 74 V CA -0.958 61.482 62.300 0.233 0.000 0.971 74 V CB 2.103 34.092 31.823 0.275 0.000 1.028 74 V HN 0.617 nan 8.190 nan 0.000 0.430 75 R N 2.981 123.404 120.500 -0.129 0.000 2.621 75 R HA 0.569 4.908 4.340 -0.001 0.000 0.292 75 R C -1.610 174.671 176.300 -0.032 0.000 0.969 75 R CA -0.454 55.527 56.100 -0.198 0.000 0.887 75 R CB 2.334 32.288 30.300 -0.576 0.000 1.180 75 R HN 0.862 nan 8.270 nan 0.000 0.450 76 W N 1.331 122.558 121.300 -0.122 0.000 2.936 76 W HA 0.713 5.372 4.660 -0.001 0.000 0.338 76 W C -1.333 175.167 176.519 -0.032 0.000 1.121 76 W CA -0.381 56.898 57.345 -0.110 0.000 1.209 76 W CB 2.352 31.729 29.460 -0.139 0.000 1.420 76 W HN 0.682 nan 8.180 nan 0.000 0.516 77 A N 1.905 124.707 122.820 -0.031 0.000 2.593 77 A HA 0.604 4.923 4.320 -0.001 0.000 0.290 77 A C -1.159 176.477 177.584 0.088 0.000 1.126 77 A CA -0.466 51.614 52.037 0.071 0.000 0.695 77 A CB 1.730 20.718 19.000 -0.020 0.000 1.290 77 A HN 0.360 nan 8.150 nan 0.000 0.414 78 S N -1.235 114.552 115.700 0.145 0.000 2.632 78 S HA 0.355 4.824 4.470 -0.001 0.000 0.271 78 S C 0.923 175.604 174.600 0.134 0.000 1.260 78 S CA 0.023 58.313 58.200 0.151 0.000 1.010 78 S CB 0.536 63.839 63.200 0.171 0.000 0.965 78 S HN 1.662 nan 8.310 nan 0.000 0.534 79 C N 2.674 121.970 119.300 -0.006 0.000 2.780 79 C HA 0.539 4.998 4.460 -0.001 0.000 0.287 79 C C 0.358 175.287 174.990 -0.101 0.000 1.288 79 C CA -0.908 58.109 59.018 -0.001 0.000 1.713 79 C CB -2.032 25.618 27.740 -0.150 0.000 1.955 79 C HN 0.715 nan 8.230 nan 0.000 0.613 80 N N 0.797 119.440 118.700 -0.096 0.000 2.405 80 N HA 0.316 5.055 4.740 -0.001 0.000 0.274 80 N C 0.420 175.775 175.510 -0.258 0.000 1.170 80 N CA -0.389 52.517 53.050 -0.240 0.000 0.848 80 N CB 1.654 40.147 38.487 0.008 0.000 1.629 80 N HN 0.356 nan 8.380 nan 0.000 0.481 81 I N -1.173 119.101 120.570 -0.494 0.000 3.111 81 I HA 0.137 4.307 4.170 -0.001 0.000 0.272 81 I C 0.063 175.972 176.117 -0.346 0.000 1.268 81 I CA 0.849 61.860 61.300 -0.482 0.000 1.467 81 I CB -0.178 37.377 38.000 -0.743 0.000 1.087 81 I HN 0.192 nan 8.210 nan 0.000 0.467 82 F N 1.015 120.951 119.950 -0.024 0.000 2.706 82 F HA 0.232 4.758 4.527 -0.001 0.000 0.313 82 F C 2.275 178.080 175.800 0.008 0.000 1.096 82 F CA -0.174 57.826 58.000 0.001 0.000 1.219 82 F CB -0.091 38.904 39.000 -0.007 0.000 1.051 82 F HN 0.129 nan 8.300 nan 0.000 0.568 83 S N -1.941 113.860 115.700 0.169 0.000 2.548 83 S HA 0.066 4.535 4.470 -0.001 0.000 0.215 83 S C 0.899 175.560 174.600 0.102 0.000 0.976 83 S CA -0.010 58.258 58.200 0.113 0.000 0.908 83 S CB -0.726 62.551 63.200 0.129 0.000 0.781 83 S HN 0.048 nan 8.310 nan 0.000 0.519 84 T N 3.458 118.078 114.554 0.110 0.000 2.916 84 T HA 0.128 4.477 4.350 -0.001 0.000 0.303 84 T C -0.219 174.493 174.700 0.019 0.000 1.025 84 T CA 0.212 62.350 62.100 0.064 0.000 1.142 84 T CB 0.598 69.504 68.868 0.063 0.000 0.947 84 T HN 0.409 nan 8.240 nan 0.000 0.544 85 Q N 2.680 122.442 119.800 -0.063 0.000 2.421 85 Q HA 0.112 4.451 4.340 -0.001 0.000 0.242 85 Q C 0.381 176.260 176.000 -0.201 0.000 1.024 85 Q CA -0.644 55.073 55.803 -0.142 0.000 0.891 85 Q CB 0.932 29.482 28.738 -0.314 0.000 1.222 85 Q HN 0.578 nan 8.270 nan 0.000 0.483 86 D N 1.515 121.888 120.400 -0.045 0.000 2.172 86 D HA -0.227 4.412 4.640 -0.001 0.000 0.196 86 D C 1.703 177.947 176.300 -0.093 0.000 0.999 86 D CA 1.575 55.556 54.000 -0.032 0.000 0.856 86 D CB 0.127 40.958 40.800 0.051 0.000 0.934 86 D HN 0.669 nan 8.370 nan 0.000 0.453 87 H N -0.181 118.691 119.070 -0.329 0.000 2.462 87 H HA 0.236 4.791 4.556 -0.001 0.000 0.292 87 H C 1.879 177.006 175.328 -0.335 0.000 1.049 87 H CA 1.145 56.949 56.048 -0.408 0.000 1.334 87 H CB -0.541 28.679 29.762 -0.904 0.000 1.404 87 H HN 0.074 nan 8.280 nan 0.000 0.544 88 A N 1.939 124.313 122.820 -0.743 0.000 1.873 88 A HA 0.046 4.365 4.320 -0.001 0.000 0.215 88 A C 2.802 180.202 177.584 -0.306 0.000 1.186 88 A CA 1.935 53.673 52.037 -0.499 0.000 0.616 88 A CB -1.062 17.652 19.000 -0.477 0.000 0.823 88 A HN 0.565 nan 8.150 nan 0.000 0.442 89 A N -0.091 122.576 122.820 -0.255 0.000 1.902 89 A HA 0.140 4.459 4.320 -0.001 0.000 0.217 89 A C 2.512 179.988 177.584 -0.179 0.000 1.181 89 A CA 2.191 54.110 52.037 -0.197 0.000 0.623 89 A CB -1.046 17.863 19.000 -0.151 0.000 0.818 89 A HN 1.062 nan 8.150 nan 0.000 0.443 90 A N -0.150 122.582 122.820 -0.147 0.000 1.902 90 A HA 0.146 4.465 4.320 -0.001 0.000 0.217 90 A C 2.511 180.028 177.584 -0.111 0.000 1.181 90 A CA 2.162 54.135 52.037 -0.107 0.000 0.623 90 A CB -1.035 17.934 19.000 -0.051 0.000 0.818 90 A HN 1.090 nan 8.150 nan 0.000 0.443 91 A N -0.313 122.432 122.820 -0.126 0.000 1.933 91 A HA -0.036 4.283 4.320 -0.001 0.000 0.218 91 A C 2.031 179.537 177.584 -0.130 0.000 1.175 91 A CA 1.562 53.532 52.037 -0.112 0.000 0.628 91 A CB -0.419 18.508 19.000 -0.122 0.000 0.814 91 A HN 0.417 nan 8.150 nan 0.000 0.444 92 I N -0.229 120.239 120.570 -0.170 0.000 2.233 92 I HA -0.178 3.991 4.170 -0.001 0.000 0.243 92 I C 2.967 178.984 176.117 -0.166 0.000 1.093 92 I CA 1.344 62.534 61.300 -0.185 0.000 1.380 92 I CB -1.541 36.314 38.000 -0.242 0.000 1.067 92 I HN 0.360 nan 8.210 nan 0.000 0.413 93 A N 1.041 123.756 122.820 -0.176 0.000 1.940 93 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 93 A C 2.474 179.981 177.584 -0.129 0.000 1.176 93 A CA 2.047 53.978 52.037 -0.176 0.000 0.631 93 A CB -0.747 18.137 19.000 -0.193 0.000 0.814 93 A HN 0.427 nan 8.150 nan 0.000 0.446 94 A N -0.450 122.307 122.820 -0.104 0.000 2.121 94 A HA -0.004 4.315 4.320 -0.001 0.000 0.218 94 A C 2.216 179.760 177.584 -0.067 0.000 1.154 94 A CA 2.048 54.040 52.037 -0.074 0.000 0.679 94 A CB -1.128 17.838 19.000 -0.056 0.000 0.795 94 A HN 0.808 nan 8.150 nan 0.000 0.458 95 T N -4.663 109.843 114.554 -0.079 0.000 3.118 95 T HA 0.353 4.702 4.350 -0.001 0.000 0.260 95 T C 1.472 176.135 174.700 -0.061 0.000 1.139 95 T CA 1.204 63.264 62.100 -0.067 0.000 1.085 95 T CB -0.030 68.792 68.868 -0.076 0.000 0.934 95 T HN 1.599 nan 8.240 nan 0.000 0.518 96 G N 0.450 109.206 108.800 -0.074 0.000 2.194 96 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.236 96 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.236 96 G C 0.220 175.073 174.900 -0.078 0.000 0.987 96 G CA 0.033 45.093 45.100 -0.067 0.000 0.635 96 G HN 0.678 nan 8.290 nan 0.000 0.520 97 T N 3.677 118.174 114.554 -0.094 0.000 2.799 97 T HA 0.465 4.815 4.350 -0.001 0.000 0.296 97 T C -2.193 172.416 174.700 -0.150 0.000 0.947 97 T CA -0.328 61.714 62.100 -0.097 0.000 1.141 97 T CB 1.401 70.208 68.868 -0.101 0.000 0.891 97 T HN 0.074 nan 8.240 nan 0.000 0.533 98 P HA 0.214 nan 4.420 nan 0.000 0.266 98 P C -0.888 176.213 177.300 -0.331 0.000 1.215 98 P CA -0.123 62.820 63.100 -0.261 0.000 0.763 98 P CB 0.487 32.126 31.700 -0.102 0.000 0.806 99 V N 5.683 125.212 119.914 -0.641 0.000 2.709 99 V HA 0.622 4.741 4.120 -0.001 0.000 0.308 99 V C -1.618 173.903 176.094 -0.955 0.000 1.062 99 V CA -0.782 61.216 62.300 -0.504 0.000 0.901 99 V CB 1.159 32.820 31.823 -0.269 0.000 1.003 99 V HN 0.242 nan 8.190 nan 0.000 0.425 100 F N 5.867 125.678 119.950 -0.232 0.000 2.552 100 F HA 0.871 5.397 4.527 -0.001 0.000 0.369 100 F C 0.251 175.780 175.800 -0.450 0.000 1.112 100 F CA -0.090 57.614 58.000 -0.494 0.000 1.129 100 F CB 1.758 40.445 39.000 -0.522 0.000 1.360 100 F HN 0.763 nan 8.300 nan 0.000 0.473 101 A N 2.043 124.691 122.820 -0.286 0.000 2.511 101 A HA 0.742 5.061 4.320 -0.001 0.000 0.292 101 A C -1.882 175.677 177.584 -0.042 0.000 1.045 101 A CA -0.622 51.377 52.037 -0.064 0.000 0.870 101 A CB 0.848 19.853 19.000 0.008 0.000 1.361 101 A HN 0.342 nan 8.150 nan 0.000 0.396 102 V N 2.470 122.425 119.914 0.068 0.000 2.686 102 V HA 0.420 4.539 4.120 -0.001 0.000 0.306 102 V C 0.177 176.344 176.094 0.122 0.000 1.065 102 V CA -0.849 61.502 62.300 0.085 0.000 0.894 102 V CB 2.055 33.954 31.823 0.126 0.000 1.004 102 V HN 0.918 nan 8.190 nan 0.000 0.424 103 K N 2.966 123.434 120.400 0.113 0.000 2.382 103 K HA 0.424 4.743 4.320 -0.001 0.000 0.286 103 K C 0.967 177.693 176.600 0.210 0.000 1.062 103 K CA 1.174 57.556 56.287 0.160 0.000 1.000 103 K CB -0.035 32.547 32.500 0.136 0.000 0.954 103 K HN 1.230 nan 8.250 nan 0.000 0.470 104 G N 3.119 112.098 108.800 0.297 0.000 2.138 104 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.193 104 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.193 104 G C -0.249 174.759 174.900 0.180 0.000 0.998 104 G CA 0.175 45.494 45.100 0.364 0.000 0.668 104 G HN 0.783 nan 8.290 nan 0.000 0.516 105 E N 1.104 121.361 120.200 0.095 0.000 2.415 105 E HA 0.399 4.748 4.350 -0.001 0.000 0.262 105 E C 0.864 177.438 176.600 -0.043 0.000 1.038 105 E CA 0.241 56.681 56.400 0.065 0.000 0.921 105 E CB 0.391 30.183 29.700 0.153 0.000 0.950 105 E HN 0.580 nan 8.360 nan 0.000 0.438 106 T N 0.249 114.784 114.554 -0.030 0.000 2.766 106 T HA 0.076 4.426 4.350 -0.001 0.000 0.295 106 T C 1.448 176.097 174.700 -0.085 0.000 1.024 106 T CA -0.575 61.491 62.100 -0.058 0.000 1.018 106 T CB 0.536 69.386 68.868 -0.030 0.000 1.002 106 T HN 0.564 nan 8.240 nan 0.000 0.532 107 L N 0.213 121.398 121.223 -0.063 0.000 2.046 107 L HA -0.062 4.277 4.340 -0.001 0.000 0.208 107 L C 3.057 179.970 176.870 0.073 0.000 1.077 107 L CA 2.089 56.928 54.840 -0.001 0.000 0.747 107 L CB -0.674 41.409 42.059 0.040 0.000 0.896 107 L HN 0.938 nan 8.230 nan 0.000 0.432 108 E N 0.619 120.838 120.200 0.032 0.000 2.058 108 E HA -0.278 4.072 4.350 -0.001 0.000 0.194 108 E C 1.974 178.514 176.600 -0.100 0.000 0.997 108 E CA 1.659 58.072 56.400 0.023 0.000 0.801 108 E CB 0.004 29.701 29.700 -0.003 0.000 0.746 108 E HN 0.452 nan 8.360 nan 0.000 0.450 109 E N -0.617 119.453 120.200 -0.217 0.000 2.085 109 E HA -0.238 4.111 4.350 -0.001 0.000 0.194 109 E C 1.887 177.981 176.600 -0.843 0.000 0.994 109 E CA 1.305 57.354 56.400 -0.584 0.000 0.801 109 E CB -0.313 29.111 29.700 -0.461 0.000 0.743 109 E HN 0.389 nan 8.360 nan 0.000 0.453 110 Y N -0.043 119.938 120.300 -0.531 0.000 2.097 110 Y HA -0.279 4.271 4.550 -0.001 0.000 0.282 110 Y C 1.663 177.265 175.900 -0.496 0.000 1.152 110 Y CA 1.797 59.607 58.100 -0.483 0.000 1.136 110 Y CB -0.683 37.474 38.460 -0.505 0.000 0.975 110 Y HN 0.102 nan 8.280 nan 0.000 0.498 111 W N 0.048 121.127 121.300 -0.368 0.000 2.402 111 W HA -0.153 4.506 4.660 -0.001 0.000 0.286 111 W C 2.511 178.783 176.519 -0.411 0.000 1.221 111 W CA 1.612 58.698 57.345 -0.431 0.000 1.257 111 W CB -0.660 28.673 29.460 -0.212 0.000 1.120 111 W HN -0.057 nan 8.180 nan 0.000 0.551 112 T N -0.110 114.335 114.554 -0.181 0.000 2.684 112 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 112 T C 1.342 175.952 174.700 -0.150 0.000 1.036 112 T CA 1.705 63.694 62.100 -0.186 0.000 1.148 112 T CB -0.645 68.084 68.868 -0.232 0.000 0.863 112 T HN 0.033 nan 8.240 nan 0.000 0.436 113 Y N 1.793 121.949 120.300 -0.241 0.000 2.200 113 Y HA -0.048 4.501 4.550 -0.001 0.000 0.290 113 Y C 2.988 178.655 175.900 -0.388 0.000 1.137 113 Y CA 0.232 58.158 58.100 -0.289 0.000 1.163 113 Y CB -1.711 36.673 38.460 -0.127 0.000 0.988 113 Y HN 0.197 nan 8.280 nan 0.000 0.518 114 T N -0.110 114.245 114.554 -0.331 0.000 2.720 114 T HA -0.255 4.095 4.350 -0.001 0.000 0.268 114 T C 1.568 176.158 174.700 -0.184 0.000 1.037 114 T CA 1.856 63.750 62.100 -0.344 0.000 1.144 114 T CB -0.551 68.030 68.868 -0.479 0.000 0.864 114 T HN 0.401 nan 8.240 nan 0.000 0.444 115 D N 0.370 120.612 120.400 -0.263 0.000 2.123 115 D HA -0.135 4.504 4.640 -0.001 0.000 0.196 115 D C 2.326 178.574 176.300 -0.087 0.000 0.992 115 D CA 0.878 54.820 54.000 -0.096 0.000 0.833 115 D CB -0.028 40.703 40.800 -0.116 0.000 0.954 115 D HN 0.120 nan 8.370 nan 0.000 0.455 116 Q N 0.128 119.731 119.800 -0.329 0.000 2.226 116 Q HA -0.105 4.235 4.340 -0.001 0.000 0.204 116 Q C 2.411 178.061 176.000 -0.584 0.000 0.975 116 Q CA 0.806 56.235 55.803 -0.624 0.000 0.866 116 Q CB -0.360 27.548 28.738 -1.383 0.000 0.915 116 Q HN 0.712 nan 8.270 nan 0.000 0.440 117 I N -3.958 116.334 120.570 -0.463 0.000 2.916 117 I HA -0.110 4.060 4.170 -0.001 0.000 0.267 117 I C 0.975 176.737 176.117 -0.593 0.000 1.263 117 I CA 1.006 61.989 61.300 -0.528 0.000 1.471 117 I CB -0.424 37.227 38.000 -0.581 0.000 1.089 117 I HN -0.122 nan 8.210 nan 0.000 0.468 118 F N 0.873 120.751 119.950 -0.120 0.000 2.695 118 F HA 0.253 4.779 4.527 -0.001 0.000 0.303 118 F C 0.862 176.742 175.800 0.132 0.000 1.091 118 F CA -0.169 57.914 58.000 0.139 0.000 1.300 118 F CB 0.072 39.327 39.000 0.425 0.000 1.071 118 F HN 0.047 nan 8.300 nan 0.000 0.578 119 Q N 0.783 120.574 119.800 -0.015 0.000 2.571 119 Q HA 0.091 4.430 4.340 -0.001 0.000 0.222 119 Q C -1.202 174.775 176.000 -0.038 0.000 1.167 119 Q CA -0.147 55.652 55.803 -0.006 0.000 0.966 119 Q CB -0.349 28.311 28.738 -0.131 0.000 1.274 119 Q HN 0.235 nan 8.270 nan 0.000 0.552 120 W N 2.679 124.019 121.300 0.067 0.000 2.251 120 W HA 0.243 4.902 4.660 -0.001 0.000 0.329 120 W C -1.087 175.458 176.519 0.043 0.000 1.234 120 W CA -1.821 55.556 57.345 0.054 0.000 1.228 120 W CB -0.112 29.382 29.460 0.056 0.000 1.135 120 W HN 0.430 nan 8.180 nan 0.000 0.576 121 P HA -0.215 nan 4.420 nan 0.000 0.215 121 P C 1.037 178.424 177.300 0.144 0.000 1.153 121 P CA 1.904 65.097 63.100 0.155 0.000 0.853 121 P CB 0.136 31.917 31.700 0.135 0.000 0.788 122 D N -1.823 118.677 120.400 0.167 0.000 2.363 122 D HA 0.039 4.678 4.640 -0.001 0.000 0.226 122 D C 1.414 177.775 176.300 0.102 0.000 1.020 122 D CA 0.824 54.889 54.000 0.108 0.000 0.892 122 D CB -1.054 39.793 40.800 0.078 0.000 0.900 122 D HN 0.252 nan 8.370 nan 0.000 0.531 123 G N -0.331 108.556 108.800 0.146 0.000 2.184 123 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.264 123 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.264 123 G C 0.064 175.036 174.900 0.119 0.000 0.975 123 G CA 0.202 45.379 45.100 0.129 0.000 0.642 123 G HN 0.396 nan 8.290 nan 0.000 0.536 124 E N 1.101 121.354 120.200 0.089 0.000 2.318 124 E HA 0.457 4.806 4.350 -0.001 0.000 0.265 124 E C -1.911 174.698 176.600 0.015 0.000 1.069 124 E CA -1.599 54.812 56.400 0.019 0.000 0.893 124 E CB 1.392 31.056 29.700 -0.061 0.000 1.076 124 E HN 0.275 nan 8.360 nan 0.000 0.414 125 P HA 0.146 nan 4.420 nan 0.000 0.279 125 P C -0.407 176.814 177.300 -0.132 0.000 1.276 125 P CA -0.480 62.656 63.100 0.059 0.000 0.801 125 P CB 0.590 32.299 31.700 0.014 0.000 1.127 126 S N 0.605 116.398 115.700 0.154 0.000 2.593 126 S HA 0.128 4.597 4.470 -0.001 0.000 0.269 126 S C 1.018 175.612 174.600 -0.009 0.000 1.334 126 S CA -0.271 57.995 58.200 0.110 0.000 1.015 126 S CB -0.208 63.281 63.200 0.482 0.000 0.912 126 S HN 0.628 nan 8.310 nan 0.000 0.541 127 N N -0.606 118.062 118.700 -0.052 0.000 2.159 127 N HA 0.189 4.928 4.740 -0.001 0.000 0.217 127 N C -0.652 174.854 175.510 -0.007 0.000 1.223 127 N CA 0.040 53.075 53.050 -0.025 0.000 0.896 127 N CB 0.286 38.778 38.487 0.008 0.000 1.064 127 N HN 0.297 nan 8.380 nan 0.000 0.518 128 M N 0.781 120.373 119.600 -0.013 0.000 2.470 128 M HA 0.467 4.946 4.480 -0.001 0.000 0.285 128 M C -1.461 174.809 176.300 -0.050 0.000 1.213 128 M CA -0.429 54.845 55.300 -0.043 0.000 0.901 128 M CB 2.607 35.181 32.600 -0.043 0.000 1.718 128 M HN -0.092 nan 8.290 nan 0.000 0.469 129 I N 2.606 123.125 120.570 -0.085 0.000 2.509 129 I HA 0.516 4.686 4.170 -0.001 0.000 0.293 129 I C -1.062 174.990 176.117 -0.108 0.000 1.020 129 I CA -0.829 60.419 61.300 -0.086 0.000 1.088 129 I CB 2.612 40.605 38.000 -0.011 0.000 1.267 129 I HN 0.535 nan 8.210 nan 0.000 0.430 130 L N 5.852 126.963 121.223 -0.187 0.000 2.316 130 L HA 0.514 4.853 4.340 -0.001 0.000 0.280 130 L C -1.343 175.405 176.870 -0.204 0.000 1.006 130 L CA -0.212 54.528 54.840 -0.167 0.000 0.836 130 L CB 1.053 43.011 42.059 -0.170 0.000 1.221 130 L HN 0.510 nan 8.230 nan 0.000 0.418 131 D N 2.564 122.911 120.400 -0.088 0.000 2.433 131 D HA 0.394 5.033 4.640 -0.001 0.000 0.236 131 D C -1.530 174.754 176.300 -0.027 0.000 1.026 131 D CA -0.096 53.867 54.000 -0.061 0.000 0.884 131 D CB 2.359 43.164 40.800 0.008 0.000 1.384 131 D HN 0.390 nan 8.370 nan 0.000 0.477 132 D N 0.719 121.098 120.400 -0.034 0.000 2.336 132 D HA 0.438 5.077 4.640 -0.001 0.000 0.248 132 D C 0.623 176.869 176.300 -0.089 0.000 1.326 132 D CA -0.110 53.870 54.000 -0.034 0.000 0.973 132 D CB 0.383 41.178 40.800 -0.009 0.000 1.255 132 D HN 0.583 nan 8.370 nan 0.000 0.558 133 G N 1.984 110.636 108.800 -0.248 0.000 2.218 133 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.216 133 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.216 133 G C 1.078 175.947 174.900 -0.051 0.000 0.994 133 G CA 0.452 45.262 45.100 -0.483 0.000 0.637 133 G HN 1.538 nan 8.290 nan 0.000 0.505 134 G N -0.240 108.589 108.800 0.049 0.000 2.159 134 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.256 134 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.256 134 G C 0.715 175.773 174.900 0.262 0.000 0.977 134 G CA 1.119 46.307 45.100 0.147 0.000 0.652 134 G HN 0.674 nan 8.290 nan 0.000 0.531 135 D N 0.411 120.998 120.400 0.312 0.000 2.117 135 D HA 0.148 4.788 4.640 -0.001 0.000 0.197 135 D C 2.666 179.246 176.300 0.466 0.000 0.987 135 D CA 1.839 56.111 54.000 0.453 0.000 0.829 135 D CB -0.429 40.602 40.800 0.385 0.000 0.961 135 D HN 0.690 nan 8.370 nan 0.000 0.460 136 A N -0.255 122.762 122.820 0.328 0.000 1.929 136 A HA -0.100 4.219 4.320 -0.001 0.000 0.216 136 A C 2.317 180.185 177.584 0.473 0.000 1.176 136 A CA 1.762 54.057 52.037 0.429 0.000 0.628 136 A CB -0.729 18.433 19.000 0.270 0.000 0.816 136 A HN 0.190 nan 8.150 nan 0.000 0.444 137 T N -0.120 114.639 114.554 0.342 0.000 2.701 137 T HA -0.176 4.173 4.350 -0.001 0.000 0.263 137 T C 1.985 176.848 174.700 0.271 0.000 1.040 137 T CA 1.692 63.978 62.100 0.311 0.000 1.147 137 T CB -0.334 68.693 68.868 0.264 0.000 0.865 137 T HN 0.528 nan 8.240 nan 0.000 0.426 138 M N 0.117 119.874 119.600 0.263 0.000 2.108 138 M HA -0.187 4.293 4.480 -0.001 0.000 0.261 138 M C 2.174 178.586 176.300 0.187 0.000 1.066 138 M CA 1.755 57.178 55.300 0.205 0.000 1.107 138 M CB -0.341 32.396 32.600 0.229 0.000 1.356 138 M HN 0.327 nan 8.290 nan 0.000 0.406 139 Y N 1.305 121.706 120.300 0.168 0.000 2.128 139 Y HA -0.281 4.269 4.550 -0.001 0.000 0.284 139 Y C 1.947 177.892 175.900 0.075 0.000 1.154 139 Y CA 1.977 60.148 58.100 0.118 0.000 1.149 139 Y CB -0.341 38.306 38.460 0.312 0.000 0.976 139 Y HN 0.236 nan 8.280 nan 0.000 0.505 140 I N 0.087 120.683 120.570 0.043 0.000 2.179 140 I HA -0.293 3.877 4.170 -0.001 0.000 0.242 140 I C 2.425 178.485 176.117 -0.095 0.000 1.088 140 I CA 1.451 62.718 61.300 -0.054 0.000 1.357 140 I CB -1.465 36.499 38.000 -0.060 0.000 1.051 140 I HN 0.340 nan 8.210 nan 0.000 0.409 141 L N -0.179 121.021 121.223 -0.038 0.000 2.179 141 L HA -0.091 4.248 4.340 -0.001 0.000 0.208 141 L C 2.542 179.321 176.870 -0.151 0.000 1.096 141 L CA 0.939 55.741 54.840 -0.063 0.000 0.779 141 L CB -0.306 41.742 42.059 -0.019 0.000 0.922 141 L HN 0.127 nan 8.230 nan 0.000 0.443 142 I N -0.140 120.317 120.570 -0.188 0.000 2.286 142 I HA -0.141 4.028 4.170 -0.001 0.000 0.245 142 I C 2.652 178.494 176.117 -0.459 0.000 1.104 142 I CA 1.195 62.343 61.300 -0.254 0.000 1.397 142 I CB -0.848 37.042 38.000 -0.183 0.000 1.072 142 I HN 0.248 nan 8.210 nan 0.000 0.417 143 G N 1.009 109.343 108.800 -0.778 0.000 2.491 143 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.218 143 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.218 143 G C 1.868 176.299 174.900 -0.782 0.000 1.180 143 G CA 0.992 45.174 45.100 -1.531 0.000 0.774 143 G HN 0.485 nan 8.290 nan 0.000 0.562 144 A N 0.539 123.133 122.820 -0.377 0.000 1.933 144 A HA -0.016 4.304 4.320 -0.001 0.000 0.218 144 A C 2.467 179.963 177.584 -0.148 0.000 1.175 144 A CA 1.762 53.717 52.037 -0.137 0.000 0.628 144 A CB -0.354 18.601 19.000 -0.075 0.000 0.814 144 A HN 0.386 nan 8.150 nan 0.000 0.444 145 R N -0.618 119.771 120.500 -0.186 0.000 2.090 145 R HA 0.044 4.383 4.340 -0.001 0.000 0.228 145 R C 2.444 178.642 176.300 -0.170 0.000 1.110 145 R CA 1.021 57.029 56.100 -0.154 0.000 0.973 145 R CB -0.405 29.807 30.300 -0.147 0.000 0.869 145 R HN 0.495 nan 8.270 nan 0.000 0.440 146 A N 1.027 123.704 122.820 -0.239 0.000 1.933 146 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 146 A C 1.909 179.402 177.584 -0.152 0.000 1.175 146 A CA 1.416 53.315 52.037 -0.230 0.000 0.628 146 A CB -0.303 18.506 19.000 -0.319 0.000 0.814 146 A HN 0.307 nan 8.150 nan 0.000 0.444 147 E N -0.682 119.442 120.200 -0.128 0.000 2.208 147 E HA 0.029 4.378 4.350 -0.001 0.000 0.193 147 E C 1.827 178.400 176.600 -0.046 0.000 0.988 147 E CA 0.598 56.971 56.400 -0.046 0.000 0.828 147 E CB -0.124 29.591 29.700 0.026 0.000 0.763 147 E HN 0.593 nan 8.360 nan 0.000 0.478 148 A N -0.430 122.350 122.820 -0.066 0.000 2.238 148 A HA 0.225 4.544 4.320 -0.001 0.000 0.208 148 A C 1.614 179.163 177.584 -0.058 0.000 1.177 148 A CA 0.928 52.932 52.037 -0.055 0.000 0.804 148 A CB -0.176 18.789 19.000 -0.059 0.000 0.823 148 A HN 0.371 nan 8.150 nan 0.000 0.482 149 G N -1.005 107.753 108.800 -0.070 0.000 2.195 149 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.224 149 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.224 149 G C 0.057 174.908 174.900 -0.082 0.000 0.990 149 G CA 0.216 45.275 45.100 -0.068 0.000 0.639 149 G HN 0.597 nan 8.290 nan 0.000 0.514 150 E N 0.827 120.971 120.200 -0.094 0.000 2.392 150 E HA 0.314 4.663 4.350 -0.001 0.000 0.264 150 E C -0.421 176.103 176.600 -0.127 0.000 1.024 150 E CA -0.176 56.163 56.400 -0.101 0.000 0.903 150 E CB 0.365 30.002 29.700 -0.105 0.000 0.963 150 E HN 0.163 nan 8.360 nan 0.000 0.432 151 D N 3.783 124.113 120.400 -0.117 0.000 2.483 151 D HA 0.045 4.685 4.640 -0.001 0.000 0.220 151 D C 0.157 176.352 176.300 -0.174 0.000 1.173 151 D CA -0.186 53.731 54.000 -0.138 0.000 0.964 151 D CB 0.279 41.017 40.800 -0.103 0.000 1.046 151 D HN 0.199 nan 8.370 nan 0.000 0.517 152 V N 1.118 120.881 119.914 -0.253 0.000 3.346 152 V HA 0.295 4.414 4.120 -0.001 0.000 0.309 152 V C 0.805 176.533 176.094 -0.611 0.000 1.457 152 V CA -0.175 61.941 62.300 -0.307 0.000 1.069 152 V CB -0.426 31.245 31.823 -0.253 0.000 0.944 152 V HN 0.376 nan 8.190 nan 0.000 0.449 153 L N 0.495 121.297 121.223 -0.702 0.000 3.122 153 L HA 0.480 4.819 4.340 -0.001 0.000 0.274 153 L C 0.595 177.020 176.870 -0.740 0.000 1.222 153 L CA 0.122 54.193 54.840 -1.282 0.000 1.028 153 L CB 0.619 42.201 42.059 -0.795 0.000 1.386 153 L HN 0.236 nan 8.230 nan 0.000 0.578 154 S N -0.757 114.729 115.700 -0.357 0.000 2.745 154 S HA 0.424 4.894 4.470 -0.001 0.000 0.292 154 S C 0.941 175.584 174.600 0.071 0.000 1.127 154 S CA 0.090 58.240 58.200 -0.084 0.000 1.007 154 S CB 1.023 64.175 63.200 -0.079 0.000 1.165 154 S HN 0.398 nan 8.310 nan 0.000 0.544 155 N N 0.347 119.090 118.700 0.071 0.000 2.696 155 N HA -0.135 4.604 4.740 -0.001 0.000 0.271 155 N C -2.708 172.892 175.510 0.150 0.000 0.997 155 N CA 0.559 53.659 53.050 0.084 0.000 0.801 155 N CB -2.124 36.391 38.487 0.046 0.000 0.913 155 N HN 0.392 nan 8.380 nan 0.000 0.557 156 P HA 0.373 nan 4.420 nan 0.000 0.266 156 P C 1.289 178.580 177.300 -0.015 0.000 1.215 156 P CA 0.804 63.948 63.100 0.074 0.000 0.763 156 P CB 0.796 32.472 31.700 -0.040 0.000 0.806 157 Q N 2.050 121.827 119.800 -0.039 0.000 2.119 157 Q HA -0.029 4.310 4.340 -0.001 0.000 0.201 157 Q C 1.106 177.071 176.000 -0.058 0.000 0.972 157 Q CA 1.770 57.552 55.803 -0.036 0.000 0.847 157 Q CB -0.609 28.111 28.738 -0.030 0.000 0.903 157 Q HN 0.645 nan 8.270 nan 0.000 0.433 158 S N -2.569 113.070 115.700 -0.103 0.000 2.704 158 S HA 0.435 4.905 4.470 -0.001 0.000 0.296 158 S C 0.711 175.245 174.600 -0.111 0.000 1.138 158 S CA -0.010 58.134 58.200 -0.092 0.000 0.875 158 S CB 1.685 64.832 63.200 -0.089 0.000 1.151 158 S HN 0.485 nan 8.310 nan 0.000 0.500 159 E N 0.635 120.790 120.200 -0.075 0.000 2.038 159 E HA -0.214 4.136 4.350 -0.001 0.000 0.195 159 E C 2.161 178.716 176.600 -0.076 0.000 1.000 159 E CA 1.863 58.223 56.400 -0.066 0.000 0.803 159 E CB -0.757 28.919 29.700 -0.041 0.000 0.750 159 E HN 0.860 nan 8.360 nan 0.000 0.448 160 E N 1.142 121.309 120.200 -0.055 0.000 2.160 160 E HA -0.273 4.076 4.350 -0.001 0.000 0.195 160 E C 1.706 178.253 176.600 -0.088 0.000 0.991 160 E CA 1.623 58.027 56.400 0.005 0.000 0.810 160 E CB -0.736 28.979 29.700 0.025 0.000 0.742 160 E HN 0.596 nan 8.360 nan 0.000 0.466 161 E N -0.711 119.338 120.200 -0.253 0.000 2.072 161 E HA -0.093 4.256 4.350 -0.001 0.000 0.190 161 E C 2.618 178.711 176.600 -0.845 0.000 0.982 161 E CA 1.186 57.243 56.400 -0.573 0.000 0.803 161 E CB -0.049 29.314 29.700 -0.562 0.000 0.755 161 E HN 0.622 nan 8.360 nan 0.000 0.453 162 E N 0.271 120.177 120.200 -0.489 0.000 2.070 162 E HA -0.199 4.150 4.350 -0.001 0.000 0.197 162 E C 2.029 178.508 176.600 -0.201 0.000 1.004 162 E CA 1.824 58.048 56.400 -0.294 0.000 0.805 162 E CB -1.132 28.498 29.700 -0.117 0.000 0.744 162 E HN 0.195 nan 8.360 nan 0.000 0.451 163 V N 0.404 120.226 119.914 -0.154 0.000 2.407 163 V HA -0.184 3.936 4.120 -0.001 0.000 0.248 163 V C 2.694 178.663 176.094 -0.209 0.000 1.055 163 V CA 1.682 63.946 62.300 -0.060 0.000 1.049 163 V CB -0.621 31.265 31.823 0.105 0.000 0.662 163 V HN 0.564 nan 8.190 nan 0.000 0.455 164 L N -0.497 120.416 121.223 -0.515 0.000 2.046 164 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 164 L C 2.271 178.973 176.870 -0.280 0.000 1.077 164 L CA 2.079 56.372 54.840 -0.911 0.000 0.747 164 L CB -0.689 40.734 42.059 -1.059 0.000 0.896 164 L HN 0.171 nan 8.230 nan 0.000 0.432 165 F N 0.580 120.372 119.950 -0.262 0.000 2.113 165 F HA -0.042 4.484 4.527 -0.001 0.000 0.297 165 F C 2.697 178.429 175.800 -0.114 0.000 1.103 165 F CA 0.779 58.674 58.000 -0.175 0.000 1.248 165 F CB -1.760 37.161 39.000 -0.131 0.000 0.999 165 F HN 0.241 nan 8.300 nan 0.000 0.475 166 A N -0.438 122.449 122.820 0.112 0.000 1.978 166 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 166 A C 2.146 179.769 177.584 0.065 0.000 1.170 166 A CA 1.909 53.985 52.037 0.066 0.000 0.636 166 A CB -0.838 18.186 19.000 0.041 0.000 0.810 166 A HN 0.392 nan 8.150 nan 0.000 0.448 167 Q N 0.108 119.944 119.800 0.061 0.000 2.123 167 Q HA -0.015 4.325 4.340 -0.001 0.000 0.199 167 Q C 1.673 177.823 176.000 0.250 0.000 0.966 167 Q CA 1.647 57.526 55.803 0.127 0.000 0.845 167 Q CB -0.481 28.327 28.738 0.116 0.000 0.907 167 Q HN 0.671 nan 8.270 nan 0.000 0.439 168 I N 0.141 120.842 120.570 0.219 0.000 2.286 168 I HA -0.283 3.886 4.170 -0.001 0.000 0.248 168 I C 2.103 178.309 176.117 0.148 0.000 1.115 168 I CA 1.301 62.699 61.300 0.162 0.000 1.392 168 I CB -0.210 37.677 38.000 -0.187 0.000 1.065 168 I HN 0.187 nan 8.210 nan 0.000 0.418 169 K N 0.921 121.366 120.400 0.075 0.000 2.057 169 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 169 K C 2.091 178.737 176.600 0.078 0.000 1.050 169 K CA 1.256 57.575 56.287 0.053 0.000 0.935 169 K CB -0.047 32.466 32.500 0.022 0.000 0.715 169 K HN 0.275 nan 8.250 nan 0.000 0.439 170 K N 0.310 120.760 120.400 0.084 0.000 2.057 170 K HA -0.154 4.166 4.320 -0.001 0.000 0.207 170 K C 2.207 178.837 176.600 0.050 0.000 1.049 170 K CA 1.090 57.411 56.287 0.057 0.000 0.931 170 K CB -0.071 32.457 32.500 0.046 0.000 0.714 170 K HN -0.066 nan 8.250 nan 0.000 0.440 171 R N 1.565 122.123 120.500 0.097 0.000 2.090 171 R HA 0.050 4.389 4.340 -0.001 0.000 0.228 171 R C 1.988 178.306 176.300 0.030 0.000 1.110 171 R CA 1.430 57.526 56.100 -0.007 0.000 0.973 171 R CB -0.386 29.884 30.300 -0.048 0.000 0.869 171 R HN 0.147 nan 8.270 nan 0.000 0.440 172 M N -0.390 119.334 119.600 0.206 0.000 2.108 172 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 172 M C 2.202 178.548 176.300 0.077 0.000 1.066 172 M CA 2.037 57.448 55.300 0.185 0.000 1.107 172 M CB -0.337 32.370 32.600 0.178 0.000 1.356 172 M HN 0.301 nan 8.290 nan 0.000 0.406 173 A N 0.162 123.012 122.820 0.051 0.000 1.897 173 A HA 0.068 4.387 4.320 -0.001 0.000 0.215 173 A C 2.365 179.954 177.584 0.008 0.000 1.181 173 A CA 1.618 53.669 52.037 0.024 0.000 0.620 173 A CB -0.850 18.162 19.000 0.019 0.000 0.821 173 A HN 0.465 nan 8.150 nan 0.000 0.443 174 A N -0.523 122.293 122.820 -0.007 0.000 1.898 174 A HA 0.107 4.427 4.320 -0.001 0.000 0.216 174 A C 1.378 178.944 177.584 -0.031 0.000 1.181 174 A CA 1.917 53.938 52.037 -0.028 0.000 0.620 174 A CB -0.709 18.259 19.000 -0.054 0.000 0.819 174 A HN 0.888 nan 8.150 nan 0.000 0.442 175 T N -1.676 112.854 114.554 -0.039 0.000 3.103 175 T HA 0.502 4.851 4.350 -0.001 0.000 0.352 175 T C -3.213 171.504 174.700 0.029 0.000 1.048 175 T CA -1.735 60.356 62.100 -0.015 0.000 1.175 175 T CB 1.676 70.519 68.868 -0.041 0.000 1.029 175 T HN 0.117 nan 8.240 nan 0.000 0.498 176 P HA 0.368 nan 4.420 nan 0.000 0.268 176 P C 1.135 178.474 177.300 0.064 0.000 1.204 176 P CA 0.820 63.954 63.100 0.057 0.000 0.768 176 P CB 0.723 32.446 31.700 0.037 0.000 0.842 177 G N 2.455 111.302 108.800 0.078 0.000 2.175 177 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.244 177 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.244 177 G C 0.499 175.417 174.900 0.030 0.000 0.982 177 G CA 0.221 45.350 45.100 0.050 0.000 0.641 177 G HN 0.506 nan 8.290 nan 0.000 0.527 178 F N 1.215 121.098 119.950 -0.111 0.000 2.069 178 F HA 0.136 4.662 4.527 -0.001 0.000 0.298 178 F C 2.311 177.966 175.800 -0.243 0.000 1.113 178 F CA 2.450 60.315 58.000 -0.226 0.000 1.214 178 F CB -0.443 38.311 39.000 -0.410 0.000 0.978 178 F HN 0.106 nan 8.300 nan 0.000 0.474 179 F N 0.941 120.679 119.950 -0.353 0.000 2.102 179 F HA -0.185 4.341 4.527 -0.001 0.000 0.298 179 F C 2.620 178.184 175.800 -0.393 0.000 1.105 179 F CA 1.975 59.668 58.000 -0.512 0.000 1.239 179 F CB -1.561 37.295 39.000 -0.240 0.000 0.991 179 F HN -0.068 nan 8.300 nan 0.000 0.474 180 T N -0.231 114.296 114.554 -0.044 0.000 2.652 180 T HA -0.279 4.070 4.350 -0.001 0.000 0.267 180 T C 1.926 176.563 174.700 -0.105 0.000 1.039 180 T CA 1.908 63.975 62.100 -0.054 0.000 1.153 180 T CB -0.346 68.508 68.868 -0.024 0.000 0.863 180 T HN 0.031 nan 8.240 nan 0.000 0.428 181 K N 0.986 121.297 120.400 -0.147 0.000 2.147 181 K HA -0.105 4.214 4.320 -0.001 0.000 0.205 181 K C 2.293 178.778 176.600 -0.191 0.000 1.049 181 K CA 1.317 57.520 56.287 -0.140 0.000 0.936 181 K CB -0.214 32.217 32.500 -0.115 0.000 0.722 181 K HN 0.216 nan 8.250 nan 0.000 0.446 182 Q N 0.384 119.968 119.800 -0.359 0.000 2.212 182 Q HA 0.024 4.363 4.340 -0.001 0.000 0.199 182 Q C 1.992 177.877 176.000 -0.193 0.000 0.950 182 Q CA 1.162 56.746 55.803 -0.365 0.000 0.863 182 Q CB -0.124 28.137 28.738 -0.795 0.000 0.944 182 Q HN 0.360 nan 8.270 nan 0.000 0.465 183 R N -0.575 119.842 120.500 -0.138 0.000 2.096 183 R HA -0.069 4.270 4.340 -0.001 0.000 0.235 183 R C 1.725 178.078 176.300 0.089 0.000 1.127 183 R CA 1.408 57.529 56.100 0.034 0.000 0.968 183 R CB -0.300 30.016 30.300 0.028 0.000 0.861 183 R HN 0.309 nan 8.270 nan 0.000 0.440 184 A N 0.191 123.017 122.820 0.010 0.000 2.021 184 A HA 0.133 4.452 4.320 -0.001 0.000 0.216 184 A C 2.131 179.718 177.584 0.004 0.000 1.163 184 A CA 0.991 53.042 52.037 0.025 0.000 0.676 184 A CB -0.238 18.759 19.000 -0.005 0.000 0.818 184 A HN 0.483 nan 8.150 nan 0.000 0.453 185 A N -0.454 122.345 122.820 -0.036 0.000 2.119 185 A HA 0.243 4.563 4.320 -0.001 0.000 0.216 185 A C 0.795 178.341 177.584 -0.064 0.000 1.152 185 A CA 0.195 52.203 52.037 -0.048 0.000 0.708 185 A CB -0.232 18.733 19.000 -0.059 0.000 0.805 185 A HN 0.318 nan 8.150 nan 0.000 0.460 186 I N 1.163 121.667 120.570 -0.110 0.000 2.494 186 I HA 0.038 4.207 4.170 -0.001 0.000 0.289 186 I C 0.882 176.860 176.117 -0.232 0.000 1.106 186 I CA 0.372 61.513 61.300 -0.266 0.000 1.369 186 I CB 0.455 38.044 38.000 -0.684 0.000 1.410 186 I HN 0.304 nan 8.210 nan 0.000 0.523 187 K N 4.256 124.571 120.400 -0.140 0.000 2.155 187 K HA 0.108 4.427 4.320 -0.001 0.000 0.203 187 K C 0.943 177.492 176.600 -0.084 0.000 1.052 187 K CA 0.590 56.835 56.287 -0.070 0.000 0.948 187 K CB 0.212 32.697 32.500 -0.024 0.000 0.728 187 K HN 0.880 nan 8.250 nan 0.000 0.448 188 G N -0.331 108.351 108.800 -0.196 0.000 2.387 188 G HA2 0.333 4.292 3.960 -0.001 0.000 0.294 188 G HA3 0.333 4.292 3.960 -0.001 0.000 0.294 188 G C -2.190 172.609 174.900 -0.169 0.000 1.509 188 G CA -0.710 44.307 45.100 -0.138 0.000 0.806 188 G HN -0.076 nan 8.290 nan 0.000 0.546 189 V N 0.439 120.328 119.914 -0.041 0.000 2.656 189 V HA 0.871 4.990 4.120 -0.001 0.000 0.307 189 V C -0.008 176.091 176.094 0.009 0.000 1.051 189 V CA 0.122 62.415 62.300 -0.011 0.000 0.893 189 V CB 2.163 34.039 31.823 0.089 0.000 0.999 189 V HN 1.539 nan 8.190 nan 0.000 0.426 190 T N 2.422 116.971 114.554 -0.010 0.000 2.771 190 T HA 0.698 5.047 4.350 -0.001 0.000 0.281 190 T C -0.606 174.103 174.700 0.015 0.000 0.982 190 T CA -0.522 61.579 62.100 0.001 0.000 0.978 190 T CB 1.438 70.303 68.868 -0.005 0.000 0.930 190 T HN 0.761 nan 8.240 nan 0.000 0.447 191 E N 1.755 121.967 120.200 0.022 0.000 2.171 191 E HA 0.334 4.683 4.350 -0.001 0.000 0.271 191 E C 0.635 177.254 176.600 0.031 0.000 0.916 191 E CA -0.732 55.678 56.400 0.017 0.000 0.774 191 E CB 1.889 31.588 29.700 -0.002 0.000 1.128 191 E HN 0.788 nan 8.360 nan 0.000 0.403 192 E N 2.627 122.850 120.200 0.039 0.000 2.102 192 E HA 0.056 4.405 4.350 -0.001 0.000 0.190 192 E C 0.014 176.648 176.600 0.057 0.000 0.971 192 E CA 0.726 57.174 56.400 0.080 0.000 0.821 192 E CB 0.311 30.090 29.700 0.130 0.000 0.777 192 E HN 0.394 nan 8.360 nan 0.000 0.460 193 T N -1.414 113.142 114.554 0.004 0.000 2.908 193 T HA 0.270 4.619 4.350 -0.001 0.000 0.290 193 T C 0.719 175.397 174.700 -0.037 0.000 1.034 193 T CA -0.041 62.052 62.100 -0.012 0.000 1.010 193 T CB 1.468 70.314 68.868 -0.037 0.000 1.068 193 T HN 0.099 nan 8.240 nan 0.000 0.481 194 T N 2.181 116.733 114.554 -0.003 0.000 2.653 194 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 194 T C 1.969 176.668 174.700 -0.001 0.000 1.035 194 T CA 2.328 64.440 62.100 0.021 0.000 1.154 194 T CB -0.667 68.223 68.868 0.036 0.000 0.862 194 T HN 0.711 nan 8.240 nan 0.000 0.441 195 T N 0.932 115.446 114.554 -0.068 0.000 2.788 195 T HA -0.014 4.336 4.350 -0.001 0.000 0.268 195 T C 2.249 176.907 174.700 -0.071 0.000 1.044 195 T CA 1.302 63.361 62.100 -0.068 0.000 1.139 195 T CB -0.816 67.953 68.868 -0.165 0.000 0.867 195 T HN 0.570 nan 8.240 nan 0.000 0.454 196 G N 0.773 109.476 108.800 -0.162 0.000 2.421 196 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.216 196 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.216 196 G C 1.701 176.581 174.900 -0.034 0.000 1.171 196 G CA 0.791 45.836 45.100 -0.092 0.000 0.775 196 G HN 0.426 nan 8.290 nan 0.000 0.543 197 V N 1.422 121.317 119.914 -0.033 0.000 2.295 197 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 197 V C 2.610 178.693 176.094 -0.018 0.000 1.049 197 V CA 2.166 64.428 62.300 -0.062 0.000 1.024 197 V CB -0.643 31.190 31.823 0.016 0.000 0.648 197 V HN 0.476 nan 8.190 nan 0.000 0.447 198 N N 0.260 119.027 118.700 0.112 0.000 2.094 198 N HA -0.220 4.519 4.740 -0.001 0.000 0.191 198 N C 1.949 177.540 175.510 0.134 0.000 1.023 198 N CA 1.749 54.910 53.050 0.185 0.000 0.857 198 N CB -0.213 38.361 38.487 0.145 0.000 1.013 198 N HN 0.370 nan 8.380 nan 0.000 0.426 199 R N -0.274 120.278 120.500 0.087 0.000 2.105 199 R HA -0.042 4.297 4.340 -0.001 0.000 0.239 199 R C 2.182 178.505 176.300 0.038 0.000 1.135 199 R CA 1.117 57.266 56.100 0.081 0.000 0.967 199 R CB -0.333 30.027 30.300 0.101 0.000 0.861 199 R HN 0.309 nan 8.270 nan 0.000 0.442 200 L N -0.890 120.313 121.223 -0.033 0.000 2.017 200 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 200 L C 2.070 178.877 176.870 -0.105 0.000 1.073 200 L CA 1.349 56.120 54.840 -0.116 0.000 0.745 200 L CB -0.459 41.455 42.059 -0.242 0.000 0.894 200 L HN 0.200 nan 8.230 nan 0.000 0.432 201 Y N 0.206 120.524 120.300 0.030 0.000 2.293 201 Y HA -0.259 4.290 4.550 -0.001 0.000 0.291 201 Y C 3.067 178.975 175.900 0.012 0.000 1.137 201 Y CA 1.473 59.584 58.100 0.017 0.000 1.202 201 Y CB -1.211 37.260 38.460 0.019 0.000 0.990 201 Y HN 0.274 nan 8.280 nan 0.000 0.537 202 Q N 0.716 120.613 119.800 0.162 0.000 2.050 202 Q HA -0.141 4.198 4.340 -0.001 0.000 0.202 202 Q C 2.274 178.308 176.000 0.057 0.000 0.980 202 Q CA 2.046 57.907 55.803 0.097 0.000 0.840 202 Q CB -1.274 27.514 28.738 0.083 0.000 0.898 202 Q HN 0.624 nan 8.270 nan 0.000 0.424 203 L N 0.027 121.271 121.223 0.034 0.000 2.012 203 L HA -0.259 4.080 4.340 -0.001 0.000 0.210 203 L C 3.061 179.927 176.870 -0.007 0.000 1.073 203 L CA 2.089 56.926 54.840 -0.005 0.000 0.748 203 L CB -0.360 41.676 42.059 -0.037 0.000 0.891 203 L HN 0.561 nan 8.230 nan 0.000 0.431 204 Q N 0.255 120.063 119.800 0.014 0.000 2.050 204 Q HA -0.285 4.054 4.340 -0.001 0.000 0.202 204 Q C 2.307 178.326 176.000 0.032 0.000 0.980 204 Q CA 1.771 57.587 55.803 0.022 0.000 0.840 204 Q CB -0.035 28.744 28.738 0.067 0.000 0.898 204 Q HN 0.341 nan 8.270 nan 0.000 0.424 205 K N 0.106 120.539 120.400 0.055 0.000 2.209 205 K HA -0.158 4.162 4.320 -0.001 0.000 0.204 205 K C 1.774 178.384 176.600 0.018 0.000 1.048 205 K CA 1.659 57.969 56.287 0.039 0.000 0.940 205 K CB 0.011 32.540 32.500 0.048 0.000 0.729 205 K HN 0.052 nan 8.250 nan 0.000 0.451 206 K N 0.204 120.611 120.400 0.011 0.000 2.374 206 K HA 0.132 4.451 4.320 -0.001 0.000 0.196 206 K C 0.774 177.365 176.600 -0.014 0.000 1.023 206 K CA 0.672 56.958 56.287 -0.002 0.000 1.103 206 K CB -0.166 32.333 32.500 -0.002 0.000 0.848 206 K HN 0.415 nan 8.250 nan 0.000 0.528 207 G N 0.410 109.200 108.800 -0.016 0.000 2.225 207 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.264 207 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.264 207 G C 0.545 175.415 174.900 -0.050 0.000 1.060 207 G CA 0.408 45.491 45.100 -0.028 0.000 0.833 207 G HN 0.500 nan 8.290 nan 0.000 0.498 208 L N -1.158 120.028 121.223 -0.062 0.000 2.906 208 L HA 0.422 4.761 4.340 -0.001 0.000 0.255 208 L C 0.765 177.543 176.870 -0.152 0.000 1.166 208 L CA -0.425 54.361 54.840 -0.089 0.000 0.977 208 L CB 0.540 42.559 42.059 -0.067 0.000 1.313 208 L HN 0.253 nan 8.230 nan 0.000 0.549 209 L N 2.914 124.036 121.223 -0.168 0.000 2.255 209 L HA 0.402 4.742 4.340 -0.001 0.000 0.289 209 L C -1.830 174.835 176.870 -0.341 0.000 1.046 209 L CA -1.257 53.406 54.840 -0.296 0.000 0.816 209 L CB 0.655 42.596 42.059 -0.196 0.000 1.197 209 L HN -0.170 nan 8.230 nan 0.000 0.427 210 P HA 0.195 nan 4.420 nan 0.000 0.267 210 P C -1.069 176.091 177.300 -0.233 0.000 1.289 210 P CA 0.219 63.109 63.100 -0.350 0.000 0.866 210 P CB 0.011 31.551 31.700 -0.266 0.000 1.309 211 F N -2.367 117.603 119.950 0.033 0.000 2.686 211 F HA 0.723 5.249 4.527 -0.001 0.000 0.311 211 F C -3.140 172.695 175.800 0.059 0.000 1.128 211 F CA -3.611 54.413 58.000 0.040 0.000 0.946 211 F CB -0.215 38.799 39.000 0.023 0.000 1.336 211 F HN -0.423 nan 8.300 nan 0.000 0.457 212 P HA 0.415 nan 4.420 nan 0.000 0.271 212 P C -1.171 176.271 177.300 0.237 0.000 1.218 212 P CA -0.007 63.247 63.100 0.257 0.000 0.780 212 P CB 1.296 33.068 31.700 0.120 0.000 0.901 213 A N 3.743 126.692 122.820 0.215 0.000 2.371 213 A HA 0.619 4.938 4.320 -0.001 0.000 0.311 213 A C -0.358 177.298 177.584 0.120 0.000 1.068 213 A CA -0.799 51.321 52.037 0.138 0.000 0.744 213 A CB 0.867 19.927 19.000 0.101 0.000 1.239 213 A HN 0.397 nan 8.150 nan 0.000 0.435 214 I N 2.857 123.450 120.570 0.038 0.000 2.315 214 I HA 0.128 4.297 4.170 -0.001 0.000 0.291 214 I C 0.020 176.168 176.117 0.052 0.000 1.006 214 I CA -0.424 60.908 61.300 0.053 0.000 1.265 214 I CB 1.208 39.200 38.000 -0.013 0.000 1.387 214 I HN 0.747 nan 8.210 nan 0.000 0.475 215 N N 7.000 125.744 118.700 0.073 0.000 2.508 215 N HA 0.065 4.804 4.740 -0.001 0.000 0.253 215 N C 0.616 176.172 175.510 0.077 0.000 1.145 215 N CA 0.026 53.106 53.050 0.051 0.000 0.973 215 N CB 0.967 39.492 38.487 0.064 0.000 1.305 215 N HN 0.391 nan 8.380 nan 0.000 0.506 216 V N 3.492 123.445 119.914 0.064 0.000 2.453 216 V HA -0.166 3.953 4.120 -0.001 0.000 0.247 216 V C 2.168 178.310 176.094 0.080 0.000 1.048 216 V CA 1.358 63.703 62.300 0.074 0.000 1.049 216 V CB -0.901 30.970 31.823 0.080 0.000 0.672 216 V HN 0.673 nan 8.190 nan 0.000 0.457 217 N N 0.861 119.607 118.700 0.076 0.000 2.091 217 N HA -0.223 4.516 4.740 -0.001 0.000 0.193 217 N C 1.326 176.889 175.510 0.089 0.000 1.021 217 N CA 1.831 54.928 53.050 0.078 0.000 0.862 217 N CB -0.173 38.355 38.487 0.067 0.000 1.018 217 N HN 0.444 nan 8.380 nan 0.000 0.429 218 D N -0.267 120.196 120.400 0.104 0.000 2.319 218 D HA 0.068 4.707 4.640 -0.001 0.000 0.230 218 D C -0.244 176.125 176.300 0.116 0.000 1.094 218 D CA 0.129 54.200 54.000 0.118 0.000 0.856 218 D CB 0.052 40.941 40.800 0.148 0.000 0.915 218 D HN 0.183 nan 8.370 nan 0.000 0.517 219 S N 0.001 115.760 115.700 0.097 0.000 2.568 219 S HA 0.016 4.485 4.470 -0.001 0.000 0.282 219 S C 1.907 176.556 174.600 0.082 0.000 1.338 219 S CA -0.569 57.680 58.200 0.081 0.000 1.045 219 S CB 2.103 65.336 63.200 0.055 0.000 0.873 219 S HN -0.053 nan 8.310 nan 0.000 0.516 220 V N 2.481 122.432 119.914 0.062 0.000 2.427 220 V HA -0.140 3.980 4.120 -0.001 0.000 0.248 220 V C 2.503 178.695 176.094 0.162 0.000 1.051 220 V CA 2.070 64.397 62.300 0.044 0.000 1.048 220 V CB -1.252 30.473 31.823 -0.163 0.000 0.666 220 V HN 1.081 nan 8.190 nan 0.000 0.456 221 T N -2.730 111.869 114.554 0.075 0.000 3.227 221 T HA -0.035 4.314 4.350 -0.001 0.000 0.257 221 T C 1.532 176.240 174.700 0.013 0.000 1.162 221 T CA 0.705 62.776 62.100 -0.047 0.000 1.051 221 T CB 0.116 68.812 68.868 -0.286 0.000 0.953 221 T HN 0.298 nan 8.240 nan 0.000 0.535 222 K N 1.659 122.120 120.400 0.100 0.000 2.274 222 K HA 0.119 4.438 4.320 -0.001 0.000 0.219 222 K C 2.603 179.284 176.600 0.136 0.000 1.058 222 K CA 1.271 57.614 56.287 0.093 0.000 0.920 222 K CB -0.386 32.154 32.500 0.068 0.000 1.124 222 K HN 0.401 nan 8.250 nan 0.000 0.464 223 S N 1.393 117.158 115.700 0.109 0.000 2.382 223 S HA -0.036 4.433 4.470 -0.001 0.000 0.228 223 S C 1.451 176.066 174.600 0.024 0.000 1.027 223 S CA 0.877 59.118 58.200 0.068 0.000 0.991 223 S CB -0.116 63.120 63.200 0.060 0.000 0.823 223 S HN 0.147 nan 8.310 nan 0.000 0.469 224 K N 0.019 120.447 120.400 0.047 0.000 2.417 224 K HA 0.354 4.674 4.320 -0.001 0.000 0.196 224 K C 0.051 176.436 176.600 -0.359 0.000 1.023 224 K CA 0.087 56.281 56.287 -0.156 0.000 1.122 224 K CB -0.150 32.247 32.500 -0.172 0.000 0.850 224 K HN 0.521 nan 8.250 nan 0.000 0.521 225 F N -0.228 119.722 119.950 0.000 0.000 2.043 225 F HA 0.026 4.552 4.527 -0.001 0.000 0.236 225 F C 2.078 177.912 175.800 0.056 0.000 1.117 225 F CA -0.265 57.828 58.000 0.154 0.000 1.263 225 F CB -0.337 38.732 39.000 0.114 0.000 1.642 225 F HN -0.098 nan 8.300 nan 0.000 0.518 226 D N 1.153 121.683 120.400 0.216 0.000 2.269 226 D HA -0.256 4.383 4.640 -0.001 0.000 0.191 226 D C 1.424 177.755 176.300 0.051 0.000 1.007 226 D CA 2.464 56.537 54.000 0.121 0.000 0.855 226 D CB -0.474 40.406 40.800 0.133 0.000 0.979 226 D HN 0.153 nan 8.370 nan 0.000 0.452 227 N N -0.138 118.594 118.700 0.053 0.000 2.289 227 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 227 N C 1.576 177.035 175.510 -0.085 0.000 1.016 227 N CA 1.388 54.455 53.050 0.028 0.000 0.872 227 N CB -0.130 38.362 38.487 0.008 0.000 0.973 227 N HN 0.384 nan 8.380 nan 0.000 0.433 228 K N -0.435 119.849 120.400 -0.194 0.000 2.159 228 K HA 0.095 4.414 4.320 -0.001 0.000 0.210 228 K C 1.483 177.874 176.600 -0.348 0.000 1.026 228 K CA 0.581 56.660 56.287 -0.347 0.000 0.959 228 K CB -0.681 31.495 32.500 -0.540 0.000 0.890 228 K HN -0.065 nan 8.250 nan 0.000 0.459 229 Y N 1.163 121.379 120.300 -0.140 0.000 2.181 229 Y HA 0.065 4.614 4.550 -0.001 0.000 0.288 229 Y C 2.417 178.188 175.900 -0.215 0.000 1.146 229 Y CA 1.498 59.523 58.100 -0.125 0.000 1.164 229 Y CB -1.108 37.323 38.460 -0.049 0.000 0.982 229 Y HN 0.370 nan 8.280 nan 0.000 0.515 230 G N -0.806 107.846 108.800 -0.247 0.000 2.476 230 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.218 230 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.218 230 G C 1.686 176.099 174.900 -0.812 0.000 1.164 230 G CA 1.493 46.038 45.100 -0.926 0.000 0.768 230 G HN 0.491 nan 8.290 nan 0.000 0.560 231 C N 0.009 119.064 119.300 -0.410 0.000 2.446 231 C HA 0.138 4.597 4.460 -0.001 0.000 0.279 231 C C 2.678 177.629 174.990 -0.065 0.000 1.366 231 C CA 0.855 59.822 59.018 -0.084 0.000 1.763 231 C CB -0.591 27.139 27.740 -0.016 0.000 1.929 231 C HN 0.594 nan 8.230 nan 0.000 0.509 232 K N 1.121 121.472 120.400 -0.081 0.000 2.057 232 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 232 K C 1.958 178.555 176.600 -0.004 0.000 1.049 232 K CA 1.408 57.680 56.287 -0.025 0.000 0.931 232 K CB -0.068 32.444 32.500 0.020 0.000 0.714 232 K HN 0.496 nan 8.250 nan 0.000 0.440 233 E N 0.068 120.257 120.200 -0.017 0.000 2.072 233 E HA -0.103 4.246 4.350 -0.001 0.000 0.190 233 E C 2.001 178.617 176.600 0.027 0.000 0.982 233 E CA 1.585 57.990 56.400 0.007 0.000 0.803 233 E CB 0.107 29.812 29.700 0.007 0.000 0.755 233 E HN 0.451 nan 8.360 nan 0.000 0.453 234 S N 0.107 115.833 115.700 0.044 0.000 2.502 234 S HA 0.034 4.503 4.470 -0.001 0.000 0.215 234 S C 1.913 176.549 174.600 0.059 0.000 1.009 234 S CA -0.205 58.045 58.200 0.084 0.000 0.908 234 S CB 0.006 63.319 63.200 0.188 0.000 0.801 234 S HN 0.075 nan 8.310 nan 0.000 0.505 235 L N 2.301 123.550 121.223 0.043 0.000 1.961 235 L HA 0.082 4.421 4.340 -0.001 0.000 0.210 235 L C 2.398 179.276 176.870 0.013 0.000 1.072 235 L CA 1.765 56.619 54.840 0.023 0.000 0.749 235 L CB -0.953 41.110 42.059 0.007 0.000 0.889 235 L HN 0.188 nan 8.230 nan 0.000 0.432 236 V N 0.300 120.220 119.914 0.010 0.000 2.392 236 V HA -0.309 3.810 4.120 -0.001 0.000 0.249 236 V C 2.412 178.513 176.094 0.012 0.000 1.059 236 V CA 1.948 64.252 62.300 0.007 0.000 1.051 236 V CB -0.777 31.051 31.823 0.008 0.000 0.658 236 V HN 0.647 nan 8.190 nan 0.000 0.455 237 D N 0.523 120.934 120.400 0.019 0.000 2.106 237 D HA -0.166 4.473 4.640 -0.001 0.000 0.191 237 D C 2.186 178.497 176.300 0.018 0.000 0.997 237 D CA 1.921 55.935 54.000 0.023 0.000 0.834 237 D CB -0.624 40.197 40.800 0.035 0.000 0.956 237 D HN 0.391 nan 8.370 nan 0.000 0.448 238 G N 0.399 109.209 108.800 0.017 0.000 2.418 238 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.217 238 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.217 238 G C 2.006 176.905 174.900 -0.001 0.000 1.158 238 G CA 0.819 45.923 45.100 0.007 0.000 0.771 238 G HN 0.403 nan 8.290 nan 0.000 0.545 239 I N -0.086 120.483 120.570 -0.002 0.000 2.252 239 I HA -0.129 4.040 4.170 -0.001 0.000 0.245 239 I C 3.043 179.156 176.117 -0.007 0.000 1.102 239 I CA 0.837 62.132 61.300 -0.008 0.000 1.385 239 I CB -0.263 37.731 38.000 -0.009 0.000 1.064 239 I HN 0.097 nan 8.210 nan 0.000 0.414 240 R N 0.710 121.210 120.500 -0.001 0.000 2.073 240 R HA -0.108 4.231 4.340 -0.001 0.000 0.234 240 R C 2.485 178.785 176.300 0.000 0.000 1.134 240 R CA 1.287 57.387 56.100 0.001 0.000 0.952 240 R CB -0.276 30.028 30.300 0.006 0.000 0.850 240 R HN 0.383 nan 8.270 nan 0.000 0.433 241 R N -0.420 120.082 120.500 0.003 0.000 2.092 241 R HA -0.058 4.281 4.340 -0.001 0.000 0.231 241 R C 2.380 178.678 176.300 -0.004 0.000 1.119 241 R CA 1.235 57.338 56.100 0.004 0.000 0.970 241 R CB -0.436 29.872 30.300 0.012 0.000 0.864 241 R HN 0.311 nan 8.270 nan 0.000 0.440 242 G N 0.184 108.977 108.800 -0.011 0.000 2.402 242 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.216 242 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.216 242 G C 1.451 176.339 174.900 -0.020 0.000 1.162 242 G CA 1.529 46.616 45.100 -0.021 0.000 0.777 242 G HN 0.487 nan 8.290 nan 0.000 0.539 243 T N -4.419 110.125 114.554 -0.016 0.000 2.966 243 T HA 0.155 4.504 4.350 -0.001 0.000 0.254 243 T C 0.792 175.485 174.700 -0.012 0.000 0.961 243 T CA 0.854 62.944 62.100 -0.017 0.000 0.915 243 T CB 0.389 69.246 68.868 -0.019 0.000 1.186 243 T HN 0.155 nan 8.240 nan 0.000 0.505 244 D N 0.852 121.247 120.400 -0.008 0.000 2.911 244 D HA -0.129 4.511 4.640 -0.001 0.000 0.227 244 D C 0.125 176.421 176.300 -0.006 0.000 1.164 244 D CA 0.483 54.480 54.000 -0.006 0.000 0.782 244 D CB -1.698 39.099 40.800 -0.005 0.000 1.094 244 D HN 0.509 nan 8.370 nan 0.000 0.425 245 V N 0.540 120.450 119.914 -0.008 0.000 2.775 245 V HA 0.166 4.285 4.120 -0.001 0.000 0.299 245 V C 0.739 176.829 176.094 -0.005 0.000 1.062 245 V CA -0.401 61.894 62.300 -0.008 0.000 1.063 245 V CB 1.428 33.245 31.823 -0.011 0.000 0.994 245 V HN 0.179 nan 8.190 nan 0.000 0.483 246 M N 7.276 126.873 119.600 -0.005 0.000 2.246 246 M HA 0.183 4.663 4.480 -0.001 0.000 0.350 246 M C 0.576 176.875 176.300 -0.002 0.000 1.406 246 M CA 0.706 56.005 55.300 -0.002 0.000 1.089 246 M CB 0.853 33.452 32.600 -0.002 0.000 1.782 246 M HN 0.665 nan 8.290 nan 0.000 0.457 247 M N 3.415 123.015 119.600 0.001 0.000 2.216 247 M HA 0.183 4.662 4.480 -0.001 0.000 0.264 247 M C 0.822 177.126 176.300 0.005 0.000 1.080 247 M CA 0.600 55.901 55.300 0.002 0.000 1.153 247 M CB -1.310 31.293 32.600 0.006 0.000 1.356 247 M HN 0.787 nan 8.290 nan 0.000 0.432 248 A N 0.448 123.273 122.820 0.007 0.000 2.566 248 A HA 0.364 4.683 4.320 -0.001 0.000 0.245 248 A C 1.402 178.990 177.584 0.006 0.000 1.056 248 A CA 1.008 53.050 52.037 0.009 0.000 0.757 248 A CB -0.694 18.311 19.000 0.008 0.000 0.979 248 A HN 0.884 nan 8.150 nan 0.000 0.508 249 G N 1.904 110.708 108.800 0.008 0.000 2.217 249 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.246 249 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.246 249 G C 0.340 175.241 174.900 0.003 0.000 0.990 249 G CA 0.604 45.707 45.100 0.005 0.000 0.627 249 G HN 0.818 nan 8.290 nan 0.000 0.522 250 K N 0.203 120.605 120.400 0.002 0.000 2.098 250 K HA 0.626 4.945 4.320 -0.001 0.000 0.258 250 K C -0.158 176.441 176.600 -0.001 0.000 0.973 250 K CA -0.641 55.644 56.287 -0.002 0.000 0.898 250 K CB 2.467 34.963 32.500 -0.006 0.000 1.057 250 K HN 0.031 nan 8.250 nan 0.000 0.447 251 V N 1.767 121.676 119.914 -0.007 0.000 2.370 251 V HA 0.387 4.506 4.120 -0.001 0.000 0.279 251 V C -0.306 175.776 176.094 -0.021 0.000 1.029 251 V CA -0.740 61.555 62.300 -0.010 0.000 0.870 251 V CB 1.128 32.944 31.823 -0.012 0.000 0.984 251 V HN 0.854 nan 8.190 nan 0.000 0.451 252 A N 5.008 127.811 122.820 -0.027 0.000 2.318 252 A HA 0.806 5.125 4.320 -0.001 0.000 0.317 252 A C -0.706 176.842 177.584 -0.059 0.000 1.159 252 A CA -0.531 51.480 52.037 -0.042 0.000 0.799 252 A CB 1.445 20.418 19.000 -0.046 0.000 1.194 252 A HN 0.622 nan 8.150 nan 0.000 0.479 253 V N 3.273 123.151 119.914 -0.059 0.000 2.383 253 V HA 0.311 4.431 4.120 -0.001 0.000 0.275 253 V C -0.129 175.923 176.094 -0.070 0.000 1.036 253 V CA -0.402 61.857 62.300 -0.069 0.000 0.889 253 V CB 1.343 33.125 31.823 -0.070 0.000 0.985 253 V HN 0.595 nan 8.190 nan 0.000 0.459 254 V N 4.507 124.374 119.914 -0.079 0.000 2.328 254 V HA 0.205 4.324 4.120 -0.001 0.000 0.278 254 V C 0.137 176.215 176.094 -0.027 0.000 1.021 254 V CA -0.464 61.801 62.300 -0.059 0.000 0.838 254 V CB 1.242 33.018 31.823 -0.078 0.000 0.999 254 V HN 0.997 nan 8.190 nan 0.000 0.447 255 C N 5.307 124.596 119.300 -0.019 0.000 2.383 255 C HA 0.704 5.164 4.460 -0.001 0.000 0.350 255 C C 1.031 176.035 174.990 0.024 0.000 1.173 255 C CA 0.127 59.142 59.018 -0.004 0.000 1.645 255 C CB -1.459 26.275 27.740 -0.010 0.000 2.221 255 C HN 1.283 nan 8.230 nan 0.000 0.528 256 G N 2.579 111.409 108.800 0.051 0.000 2.674 256 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.686 256 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.686 256 G C -1.156 173.830 174.900 0.142 0.000 1.195 256 G CA -0.647 44.499 45.100 0.077 0.000 0.776 256 G HN 0.689 nan 8.290 nan 0.000 0.654 257 Y N 1.823 122.113 120.300 -0.017 0.000 2.734 257 Y HA 0.502 5.051 4.550 -0.001 0.000 0.251 257 Y C 1.291 177.184 175.900 -0.011 0.000 1.049 257 Y CA 0.514 58.603 58.100 -0.019 0.000 1.103 257 Y CB 0.114 38.570 38.460 -0.006 0.000 1.201 257 Y HN 1.030 nan 8.280 nan 0.000 0.618 258 G N 0.098 108.863 108.800 -0.057 0.000 2.514 258 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.245 258 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.245 258 G C 0.664 175.453 174.900 -0.184 0.000 1.488 258 G CA 0.307 45.357 45.100 -0.083 0.000 1.063 258 G HN 0.234 nan 8.290 nan 0.000 0.557 259 D N -1.027 119.295 120.400 -0.129 0.000 2.097 259 D HA -0.116 4.523 4.640 -0.001 0.000 0.195 259 D C 2.783 178.976 176.300 -0.179 0.000 0.989 259 D CA 0.965 54.868 54.000 -0.162 0.000 0.827 259 D CB -0.412 40.327 40.800 -0.101 0.000 0.966 259 D HN 0.051 nan 8.370 nan 0.000 0.456 260 V N 1.191 121.038 119.914 -0.111 0.000 2.261 260 V HA -0.160 3.960 4.120 -0.001 0.000 0.246 260 V C 2.618 178.635 176.094 -0.128 0.000 1.047 260 V CA 2.056 64.305 62.300 -0.084 0.000 1.015 260 V CB -1.125 30.685 31.823 -0.021 0.000 0.642 260 V HN 0.225 nan 8.190 nan 0.000 0.446 261 G N -0.235 108.478 108.800 -0.145 0.000 2.469 261 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.219 261 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.219 261 G C 1.669 176.363 174.900 -0.343 0.000 1.150 261 G CA 1.104 46.103 45.100 -0.168 0.000 0.763 261 G HN 0.485 nan 8.290 nan 0.000 0.561 262 K N 0.039 120.096 120.400 -0.571 0.000 2.002 262 K HA -0.039 4.281 4.320 -0.001 0.000 0.209 262 K C 2.813 179.227 176.600 -0.311 0.000 1.048 262 K CA 1.017 56.892 56.287 -0.688 0.000 0.930 262 K CB -0.561 31.560 32.500 -0.631 0.000 0.714 262 K HN 0.261 nan 8.250 nan 0.000 0.438 263 G N 0.686 109.332 108.800 -0.257 0.000 2.440 263 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.218 263 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.218 263 G C 1.546 176.377 174.900 -0.116 0.000 1.154 263 G CA 1.127 46.117 45.100 -0.183 0.000 0.767 263 G HN 0.197 nan 8.290 nan 0.000 0.552 264 S N 1.004 116.634 115.700 -0.117 0.000 2.368 264 S HA -0.011 4.458 4.470 -0.001 0.000 0.225 264 S C 2.808 177.352 174.600 -0.094 0.000 1.030 264 S CA 1.224 59.374 58.200 -0.083 0.000 0.999 264 S CB -0.414 62.742 63.200 -0.073 0.000 0.844 264 S HN 0.608 nan 8.310 nan 0.000 0.459 265 A N 1.618 124.355 122.820 -0.138 0.000 1.877 265 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 265 A C 2.155 179.695 177.584 -0.074 0.000 1.186 265 A CA 1.288 53.187 52.037 -0.231 0.000 0.620 265 A CB -0.611 18.145 19.000 -0.407 0.000 0.822 265 A HN 0.355 nan 8.150 nan 0.000 0.443 266 Q N -0.193 119.623 119.800 0.028 0.000 2.124 266 Q HA -0.132 4.207 4.340 -0.001 0.000 0.202 266 Q C 2.397 178.428 176.000 0.052 0.000 0.977 266 Q CA 1.565 57.425 55.803 0.096 0.000 0.850 266 Q CB -0.876 27.906 28.738 0.073 0.000 0.901 266 Q HN 0.643 nan 8.270 nan 0.000 0.429 267 S N 0.270 115.976 115.700 0.009 0.000 2.343 267 S HA -0.104 4.365 4.470 -0.001 0.000 0.219 267 S C 2.027 176.633 174.600 0.011 0.000 1.033 267 S CA 0.970 59.175 58.200 0.008 0.000 1.014 267 S CB -0.155 63.040 63.200 -0.009 0.000 0.915 267 S HN 0.292 nan 8.310 nan 0.000 0.435 268 L N 1.216 122.435 121.223 -0.007 0.000 2.017 268 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 268 L C 2.898 179.784 176.870 0.027 0.000 1.073 268 L CA 1.377 56.214 54.840 -0.005 0.000 0.745 268 L CB -0.681 41.356 42.059 -0.037 0.000 0.894 268 L HN 0.391 nan 8.230 nan 0.000 0.432 269 A N 0.206 123.063 122.820 0.061 0.000 1.908 269 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 269 A C 2.384 180.022 177.584 0.091 0.000 1.181 269 A CA 1.806 53.920 52.037 0.127 0.000 0.627 269 A CB -1.364 17.799 19.000 0.273 0.000 0.818 269 A HN 0.456 nan 8.150 nan 0.000 0.445 270 G N -1.146 107.699 108.800 0.076 0.000 2.471 270 G HA2 0.135 4.094 3.960 -0.001 0.000 0.219 270 G HA3 0.135 4.094 3.960 -0.001 0.000 0.219 270 G C 1.371 176.294 174.900 0.039 0.000 1.125 270 G CA 1.080 46.214 45.100 0.057 0.000 0.775 270 G HN 0.820 nan 8.290 nan 0.000 0.548 271 A N -0.815 122.026 122.820 0.034 0.000 2.238 271 A HA 0.509 4.828 4.320 -0.001 0.000 0.210 271 A C 1.904 179.502 177.584 0.024 0.000 1.179 271 A CA 1.288 53.340 52.037 0.024 0.000 0.827 271 A CB -0.094 18.917 19.000 0.017 0.000 0.856 271 A HN 1.444 nan 8.150 nan 0.000 0.488 272 G N -2.118 106.702 108.800 0.032 0.000 2.192 272 G HA2 0.167 4.126 3.960 -0.001 0.000 0.193 272 G HA3 0.167 4.126 3.960 -0.001 0.000 0.193 272 G C 0.427 175.346 174.900 0.031 0.000 0.999 272 G CA 0.071 45.189 45.100 0.031 0.000 0.659 272 G HN 1.445 nan 8.290 nan 0.000 0.503 273 A N 0.169 123.006 122.820 0.029 0.000 2.407 273 A HA 0.712 5.031 4.320 -0.001 0.000 0.248 273 A C 0.669 178.279 177.584 0.044 0.000 1.082 273 A CA 0.547 52.599 52.037 0.024 0.000 0.785 273 A CB 0.313 19.318 19.000 0.008 0.000 1.020 273 A HN 0.850 nan 8.150 nan 0.000 0.489 274 R N 1.917 122.441 120.500 0.040 0.000 2.234 274 R HA 0.469 4.808 4.340 -0.001 0.000 0.324 274 R C -1.377 174.954 176.300 0.050 0.000 1.054 274 R CA -0.232 55.908 56.100 0.066 0.000 0.912 274 R CB 0.500 30.829 30.300 0.050 0.000 1.030 274 R HN 0.440 nan 8.270 nan 0.000 0.455 275 V N 5.665 125.631 119.914 0.087 0.000 2.394 275 V HA 0.302 4.422 4.120 -0.001 0.000 0.282 275 V C -0.212 175.869 176.094 -0.022 0.000 1.031 275 V CA -0.573 61.695 62.300 -0.054 0.000 0.881 275 V CB 1.543 33.164 31.823 -0.337 0.000 0.982 275 V HN 0.782 nan 8.190 nan 0.000 0.451 276 K N 3.504 123.867 120.400 -0.063 0.000 2.156 276 K HA 0.802 5.121 4.320 -0.001 0.000 0.254 276 K C -1.254 175.287 176.600 -0.098 0.000 0.950 276 K CA -0.725 55.536 56.287 -0.043 0.000 0.849 276 K CB 2.430 34.914 32.500 -0.027 0.000 1.100 276 K HN 0.405 nan 8.250 nan 0.000 0.434 277 V N 1.433 121.296 119.914 -0.085 0.000 2.604 277 V HA 0.374 4.493 4.120 -0.001 0.000 0.305 277 V C -0.120 175.940 176.094 -0.057 0.000 1.043 277 V CA -0.812 61.434 62.300 -0.090 0.000 0.888 277 V CB 1.900 33.623 31.823 -0.167 0.000 0.995 277 V HN 0.995 nan 8.190 nan 0.000 0.429 278 T N 1.077 115.613 114.554 -0.031 0.000 2.888 278 T HA 0.831 5.180 4.350 -0.001 0.000 0.284 278 T C -0.770 173.938 174.700 0.012 0.000 1.017 278 T CA -0.549 61.540 62.100 -0.018 0.000 1.022 278 T CB 2.324 71.177 68.868 -0.025 0.000 1.013 278 T HN 0.634 nan 8.240 nan 0.000 0.465 279 E N 0.591 120.799 120.200 0.014 0.000 2.423 279 E HA 0.357 4.706 4.350 -0.001 0.000 0.280 279 E C 0.391 177.008 176.600 0.028 0.000 1.030 279 E CA -0.563 55.858 56.400 0.035 0.000 0.812 279 E CB 2.265 31.993 29.700 0.047 0.000 1.313 279 E HN 0.599 nan 8.360 nan 0.000 0.456 280 V N -2.440 117.495 119.914 0.036 0.000 3.570 280 V HA 0.274 4.394 4.120 -0.001 0.000 0.257 280 V C 0.537 176.648 176.094 0.028 0.000 1.272 280 V CA 0.271 62.589 62.300 0.030 0.000 1.079 280 V CB 0.563 32.406 31.823 0.034 0.000 0.829 280 V HN 0.454 nan 8.190 nan 0.000 0.454 281 D N 2.685 123.106 120.400 0.034 0.000 2.295 281 D HA 0.266 4.905 4.640 -0.001 0.000 0.248 281 D C -1.393 174.924 176.300 0.028 0.000 1.154 281 D CA -1.934 52.084 54.000 0.031 0.000 0.857 281 D CB 2.229 43.053 40.800 0.040 0.000 1.117 281 D HN 0.180 nan 8.370 nan 0.000 0.468 282 P HA -0.092 nan 4.420 nan 0.000 0.219 282 P C 1.887 179.196 177.300 0.015 0.000 1.150 282 P CA 0.654 63.761 63.100 0.012 0.000 0.814 282 P CB 0.582 32.286 31.700 0.008 0.000 0.787 283 I N -0.133 120.449 120.570 0.021 0.000 2.142 283 I HA -0.234 3.935 4.170 -0.001 0.000 0.240 283 I C 2.588 178.733 176.117 0.047 0.000 1.078 283 I CA 1.494 62.810 61.300 0.026 0.000 1.343 283 I CB -1.106 36.908 38.000 0.023 0.000 1.046 283 I HN 0.031 nan 8.210 nan 0.000 0.405 284 C N 0.965 120.307 119.300 0.070 0.000 2.435 284 C HA -0.059 4.400 4.460 -0.001 0.000 0.279 284 C C 3.205 178.252 174.990 0.095 0.000 1.321 284 C CA 0.768 59.870 59.018 0.141 0.000 1.752 284 C CB -1.228 26.612 27.740 0.166 0.000 1.959 284 C HN 0.595 nan 8.230 nan 0.000 0.500 285 A N 0.140 122.976 122.820 0.026 0.000 1.930 285 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 285 A C 2.026 179.570 177.584 -0.067 0.000 1.175 285 A CA 1.416 53.427 52.037 -0.043 0.000 0.627 285 A CB -0.573 18.413 19.000 -0.023 0.000 0.815 285 A HN 0.469 nan 8.150 nan 0.000 0.443 286 L N -0.059 121.150 121.223 -0.024 0.000 2.046 286 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 286 L C 2.503 179.357 176.870 -0.027 0.000 1.077 286 L CA 2.181 57.006 54.840 -0.024 0.000 0.747 286 L CB -0.799 41.256 42.059 -0.007 0.000 0.896 286 L HN 0.501 nan 8.230 nan 0.000 0.432 287 Q N -0.800 119.007 119.800 0.011 0.000 2.096 287 Q HA -0.283 4.056 4.340 -0.001 0.000 0.208 287 Q C 2.223 178.206 176.000 -0.028 0.000 0.993 287 Q CA 2.064 57.903 55.803 0.060 0.000 0.862 287 Q CB -0.445 28.417 28.738 0.206 0.000 0.915 287 Q HN 0.701 nan 8.270 nan 0.000 0.416 288 A N 0.940 123.577 122.820 -0.305 0.000 1.877 288 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 288 A C 2.315 179.789 177.584 -0.184 0.000 1.186 288 A CA 1.683 53.345 52.037 -0.625 0.000 0.620 288 A CB -0.903 17.476 19.000 -1.035 0.000 0.822 288 A HN 0.430 nan 8.150 nan 0.000 0.443 289 A N -0.764 121.971 122.820 -0.141 0.000 1.883 289 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 289 A C 2.173 179.697 177.584 -0.100 0.000 1.186 289 A CA 2.118 54.101 52.037 -0.089 0.000 0.624 289 A CB -0.517 18.444 19.000 -0.066 0.000 0.822 289 A HN 0.439 nan 8.150 nan 0.000 0.444 290 M N 0.052 119.604 119.600 -0.080 0.000 2.213 290 M HA -0.105 4.374 4.480 -0.001 0.000 0.263 290 M C 0.786 177.021 176.300 -0.107 0.000 1.062 290 M CA 1.164 56.422 55.300 -0.070 0.000 1.105 290 M CB -1.410 31.171 32.600 -0.033 0.000 1.385 290 M HN 0.304 nan 8.290 nan 0.000 0.417 291 D N -0.177 120.148 120.400 -0.125 0.000 2.363 291 D HA 0.147 4.786 4.640 -0.001 0.000 0.226 291 D C 1.444 177.382 176.300 -0.604 0.000 1.020 291 D CA 0.920 54.787 54.000 -0.221 0.000 0.892 291 D CB -0.003 40.800 40.800 0.006 0.000 0.900 291 D HN 0.578 nan 8.370 nan 0.000 0.531 292 G N -0.028 108.485 108.800 -0.478 0.000 2.163 292 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.213 292 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.213 292 G C -0.057 174.577 174.900 -0.442 0.000 0.991 292 G CA -0.575 44.241 45.100 -0.473 0.000 0.653 292 G HN 0.172 nan 8.290 nan 0.000 0.518 293 F N 1.201 121.108 119.950 -0.073 0.000 2.422 293 F HA 0.588 5.114 4.527 -0.001 0.000 0.333 293 F C 0.694 176.439 175.800 -0.091 0.000 1.095 293 F CA -1.626 56.326 58.000 -0.079 0.000 1.038 293 F CB 1.358 40.294 39.000 -0.107 0.000 1.156 293 F HN 0.105 nan 8.300 nan 0.000 0.483 294 E N 1.887 122.167 120.200 0.134 0.000 2.366 294 E HA 0.234 4.583 4.350 -0.001 0.000 0.266 294 E C -1.155 175.458 176.600 0.020 0.000 1.015 294 E CA -0.190 56.238 56.400 0.047 0.000 0.906 294 E CB 0.723 30.443 29.700 0.033 0.000 0.979 294 E HN 0.414 nan 8.360 nan 0.000 0.443 295 V N 6.785 126.692 119.914 -0.010 0.000 2.348 295 V HA 0.216 4.335 4.120 -0.001 0.000 0.270 295 V C 0.342 176.420 176.094 -0.025 0.000 1.037 295 V CA -0.361 61.919 62.300 -0.033 0.000 0.872 295 V CB 0.538 32.330 31.823 -0.051 0.000 1.002 295 V HN 0.530 nan 8.190 nan 0.000 0.464 296 V N 2.269 122.166 119.914 -0.028 0.000 3.164 296 V HA 0.895 5.015 4.120 -0.001 0.000 0.313 296 V C 0.072 176.150 176.094 -0.026 0.000 1.188 296 V CA -0.546 61.739 62.300 -0.024 0.000 1.058 296 V CB 2.212 34.020 31.823 -0.026 0.000 1.110 296 V HN 0.756 nan 8.190 nan 0.000 0.453 297 T N -0.941 113.599 114.554 -0.023 0.000 2.929 297 T HA 0.536 4.885 4.350 -0.001 0.000 0.284 297 T C 0.559 175.226 174.700 -0.055 0.000 1.014 297 T CA -0.149 61.937 62.100 -0.024 0.000 1.051 297 T CB 1.566 70.435 68.868 0.002 0.000 1.028 297 T HN 0.916 nan 8.240 nan 0.000 0.485 298 L N 0.852 122.010 121.223 -0.107 0.000 2.217 298 L HA 0.110 4.450 4.340 -0.001 0.000 0.211 298 L C 1.768 178.532 176.870 -0.177 0.000 1.107 298 L CA 1.648 56.350 54.840 -0.230 0.000 0.783 298 L CB -0.963 40.815 42.059 -0.468 0.000 0.919 298 L HN 0.712 nan 8.230 nan 0.000 0.442 299 D N 0.074 120.467 120.400 -0.011 0.000 2.116 299 D HA -0.197 4.442 4.640 -0.001 0.000 0.193 299 D C 1.618 177.945 176.300 0.045 0.000 0.998 299 D CA 1.642 55.709 54.000 0.112 0.000 0.836 299 D CB -0.073 40.797 40.800 0.118 0.000 0.951 299 D HN 0.412 nan 8.370 nan 0.000 0.449 300 D N -0.367 120.039 120.400 0.010 0.000 2.183 300 D HA 0.043 4.682 4.640 -0.001 0.000 0.205 300 D C 1.716 178.008 176.300 -0.014 0.000 0.962 300 D CA 0.870 54.871 54.000 0.000 0.000 0.849 300 D CB -0.037 40.761 40.800 -0.003 0.000 0.978 300 D HN 0.151 nan 8.370 nan 0.000 0.488 301 A N 0.329 123.130 122.820 -0.033 0.000 2.267 301 A HA 0.415 4.734 4.320 -0.001 0.000 0.213 301 A C 2.064 179.619 177.584 -0.048 0.000 1.192 301 A CA 0.832 52.845 52.037 -0.040 0.000 0.851 301 A CB 0.012 18.983 19.000 -0.048 0.000 0.881 301 A HN 0.142 nan 8.150 nan 0.000 0.494 302 A N 0.719 123.507 122.820 -0.053 0.000 1.933 302 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 302 A C 2.378 179.937 177.584 -0.043 0.000 1.175 302 A CA 2.039 54.042 52.037 -0.057 0.000 0.628 302 A CB -0.765 18.212 19.000 -0.038 0.000 0.814 302 A HN 0.980 nan 8.150 nan 0.000 0.444 303 S N -0.838 114.843 115.700 -0.032 0.000 2.561 303 S HA -0.039 4.430 4.470 -0.001 0.000 0.225 303 S C 1.281 175.859 174.600 -0.037 0.000 0.977 303 S CA 1.426 59.604 58.200 -0.037 0.000 0.926 303 S CB -0.644 62.539 63.200 -0.028 0.000 0.769 303 S HN 0.761 nan 8.310 nan 0.000 0.533 304 T N -1.795 112.739 114.554 -0.033 0.000 3.091 304 T HA 0.669 5.018 4.350 -0.001 0.000 0.277 304 T C 0.367 175.049 174.700 -0.031 0.000 0.996 304 T CA 0.049 62.131 62.100 -0.029 0.000 0.897 304 T CB 0.247 69.102 68.868 -0.022 0.000 1.109 304 T HN 0.469 nan 8.240 nan 0.000 0.534 305 A N 1.087 123.885 122.820 -0.037 0.000 2.340 305 A HA 0.525 4.844 4.320 -0.001 0.000 0.268 305 A C 0.790 178.353 177.584 -0.036 0.000 1.100 305 A CA -0.443 51.572 52.037 -0.037 0.000 0.803 305 A CB 0.413 19.385 19.000 -0.046 0.000 1.043 305 A HN 0.276 nan 8.150 nan 0.000 0.488 306 D N 0.285 120.666 120.400 -0.031 0.000 2.324 306 D HA 0.190 4.830 4.640 -0.001 0.000 0.212 306 D C 0.044 176.326 176.300 -0.030 0.000 0.984 306 D CA 1.215 55.198 54.000 -0.028 0.000 0.885 306 D CB 0.339 41.126 40.800 -0.022 0.000 0.996 306 D HN 0.509 nan 8.370 nan 0.000 0.505 307 I N 0.965 121.516 120.570 -0.032 0.000 2.569 307 I HA 0.232 4.401 4.170 -0.001 0.000 0.290 307 I C -1.123 174.972 176.117 -0.038 0.000 1.088 307 I CA -0.808 60.472 61.300 -0.032 0.000 1.047 307 I CB 3.210 41.193 38.000 -0.029 0.000 1.237 307 I HN -0.408 nan 8.210 nan 0.000 0.421 308 V N 6.572 126.464 119.914 -0.036 0.000 2.443 308 V HA 0.466 4.585 4.120 -0.001 0.000 0.293 308 V C -0.396 175.681 176.094 -0.028 0.000 1.021 308 V CA -0.655 61.621 62.300 -0.040 0.000 0.848 308 V CB 2.115 33.910 31.823 -0.046 0.000 0.998 308 V HN 0.408 nan 8.190 nan 0.000 0.424 309 V N 3.453 123.349 119.914 -0.030 0.000 2.540 309 V HA 0.563 4.682 4.120 -0.001 0.000 0.302 309 V C 0.152 176.239 176.094 -0.012 0.000 1.035 309 V CA -0.311 61.978 62.300 -0.019 0.000 0.873 309 V CB 2.238 34.047 31.823 -0.023 0.000 0.992 309 V HN 0.896 nan 8.190 nan 0.000 0.428 310 T N 2.096 116.654 114.554 0.006 0.000 2.824 310 T HA 0.525 4.874 4.350 -0.001 0.000 0.280 310 T C 0.471 175.185 174.700 0.023 0.000 0.995 310 T CA 0.315 62.426 62.100 0.018 0.000 1.009 310 T CB 1.162 70.052 68.868 0.036 0.000 0.955 310 T HN 0.975 nan 8.240 nan 0.000 0.452 311 T N -0.157 114.412 114.554 0.024 0.000 3.399 311 T HA 0.146 4.496 4.350 -0.001 0.000 0.305 311 T C 1.412 176.131 174.700 0.033 0.000 0.983 311 T CA 0.259 62.372 62.100 0.021 0.000 0.967 311 T CB -0.287 68.580 68.868 -0.003 0.000 1.186 311 T HN 0.641 nan 8.240 nan 0.000 0.504 312 T N -1.935 112.648 114.554 0.049 0.000 3.031 312 T HA 0.421 4.770 4.350 -0.001 0.000 0.254 312 T C 2.192 176.934 174.700 0.069 0.000 1.060 312 T CA 1.164 63.297 62.100 0.056 0.000 1.135 312 T CB -0.553 68.351 68.868 0.061 0.000 0.896 312 T HN 1.222 nan 8.240 nan 0.000 0.472 313 G N 1.420 110.273 108.800 0.088 0.000 2.179 313 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.260 313 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.260 313 G C 0.285 175.265 174.900 0.132 0.000 0.977 313 G CA 0.324 45.491 45.100 0.111 0.000 0.641 313 G HN 0.732 nan 8.290 nan 0.000 0.533 314 N N 0.805 119.572 118.700 0.112 0.000 2.547 314 N HA 0.635 5.374 4.740 -0.001 0.000 0.301 314 N C 0.380 175.960 175.510 0.118 0.000 1.328 314 N CA 0.539 53.654 53.050 0.107 0.000 0.932 314 N CB 0.598 39.136 38.487 0.085 0.000 1.104 314 N HN 0.696 nan 8.380 nan 0.000 0.548 315 K N -1.104 119.356 120.400 0.099 0.000 2.536 315 K HA 0.330 4.649 4.320 -0.001 0.000 0.269 315 K C -1.291 175.360 176.600 0.085 0.000 0.965 315 K CA -0.610 55.734 56.287 0.095 0.000 0.860 315 K CB 1.428 33.979 32.500 0.085 0.000 1.423 315 K HN 0.353 nan 8.250 nan 0.000 0.438 316 D N 0.962 121.413 120.400 0.085 0.000 2.708 316 D HA -0.144 4.495 4.640 -0.001 0.000 0.236 316 D C 0.907 177.272 176.300 0.109 0.000 1.146 316 D CA 0.786 54.836 54.000 0.084 0.000 0.662 316 D CB -1.215 39.622 40.800 0.061 0.000 1.059 316 D HN 0.381 nan 8.370 nan 0.000 0.428 317 V N -0.379 119.606 119.914 0.117 0.000 2.346 317 V HA -0.071 4.048 4.120 -0.001 0.000 0.244 317 V C 1.523 177.729 176.094 0.187 0.000 1.037 317 V CA 1.067 63.444 62.300 0.127 0.000 1.029 317 V CB 0.183 32.058 31.823 0.086 0.000 0.663 317 V HN 0.280 nan 8.190 nan 0.000 0.454 318 I N 1.629 122.307 120.570 0.180 0.000 2.359 318 I HA 0.275 4.444 4.170 -0.001 0.000 0.284 318 I C 0.475 176.746 176.117 0.257 0.000 1.018 318 I CA -0.107 61.350 61.300 0.261 0.000 1.173 318 I CB 1.318 39.394 38.000 0.127 0.000 1.326 318 I HN 0.282 nan 8.210 nan 0.000 0.462 319 T N 1.909 116.643 114.554 0.299 0.000 2.884 319 T HA 0.307 4.656 4.350 -0.001 0.000 0.277 319 T C 1.017 175.757 174.700 0.066 0.000 0.976 319 T CA -0.619 61.515 62.100 0.056 0.000 0.956 319 T CB 1.751 70.530 68.868 -0.148 0.000 1.113 319 T HN 0.364 nan 8.240 nan 0.000 0.554 320 I N 0.689 121.293 120.570 0.057 0.000 2.361 320 I HA -0.080 4.089 4.170 -0.001 0.000 0.251 320 I C 1.657 177.827 176.117 0.089 0.000 1.133 320 I CA 1.481 62.853 61.300 0.119 0.000 1.413 320 I CB -0.716 37.348 38.000 0.107 0.000 1.073 320 I HN 0.628 nan 8.210 nan 0.000 0.424 321 D N -0.540 119.843 120.400 -0.030 0.000 2.117 321 D HA -0.184 4.455 4.640 -0.001 0.000 0.198 321 D C 2.024 178.303 176.300 -0.034 0.000 0.982 321 D CA 1.595 55.557 54.000 -0.063 0.000 0.828 321 D CB -0.426 40.286 40.800 -0.147 0.000 0.967 321 D HN 0.542 nan 8.370 nan 0.000 0.464 322 H N 0.205 119.286 119.070 0.018 0.000 2.290 322 H HA -0.025 4.531 4.556 -0.001 0.000 0.298 322 H C 2.268 177.572 175.328 -0.040 0.000 1.087 322 H CA 1.015 57.059 56.048 -0.006 0.000 1.291 322 H CB -0.017 29.749 29.762 0.007 0.000 1.369 322 H HN 0.037 nan 8.280 nan 0.000 0.492 323 M N 0.167 119.836 119.600 0.115 0.000 2.296 323 M HA -0.127 4.352 4.480 -0.001 0.000 0.265 323 M C 2.041 178.150 176.300 -0.317 0.000 1.064 323 M CA 1.309 56.609 55.300 0.001 0.000 1.109 323 M CB 0.007 32.718 32.600 0.185 0.000 1.396 323 M HN 0.219 nan 8.290 nan 0.000 0.430 324 R N 0.233 120.592 120.500 -0.234 0.000 2.148 324 R HA -0.081 4.258 4.340 -0.001 0.000 0.227 324 R C 1.890 178.027 176.300 -0.271 0.000 1.103 324 R CA 0.957 56.830 56.100 -0.378 0.000 0.983 324 R CB -0.198 30.059 30.300 -0.071 0.000 0.874 324 R HN 0.407 nan 8.270 nan 0.000 0.451 325 K N 0.105 120.420 120.400 -0.142 0.000 2.243 325 K HA 0.072 4.392 4.320 -0.001 0.000 0.201 325 K C 0.789 177.321 176.600 -0.114 0.000 1.051 325 K CA 0.349 56.581 56.287 -0.091 0.000 0.970 325 K CB 0.110 32.598 32.500 -0.020 0.000 0.755 325 K HN 0.097 nan 8.250 nan 0.000 0.465 326 M N 2.455 121.968 119.600 -0.145 0.000 2.252 326 M HA -0.033 4.447 4.480 -0.001 0.000 0.333 326 M C 0.345 176.562 176.300 -0.139 0.000 1.111 326 M CA 0.439 55.664 55.300 -0.125 0.000 1.140 326 M CB 0.293 32.821 32.600 -0.121 0.000 1.538 326 M HN 0.031 nan 8.290 nan 0.000 0.448 327 K N 0.825 121.168 120.400 -0.094 0.000 2.107 327 K HA 0.253 4.573 4.320 -0.001 0.000 0.251 327 K C -0.614 175.941 176.600 -0.076 0.000 1.012 327 K CA -0.912 55.327 56.287 -0.079 0.000 0.920 327 K CB 0.451 32.919 32.500 -0.053 0.000 1.033 327 K HN 0.460 nan 8.250 nan 0.000 0.478 328 D N 1.325 121.689 120.400 -0.059 0.000 2.493 328 D HA -0.089 4.550 4.640 -0.001 0.000 0.240 328 D C 0.226 176.505 176.300 -0.035 0.000 1.142 328 D CA 0.673 54.647 54.000 -0.043 0.000 0.872 328 D CB 0.254 41.038 40.800 -0.027 0.000 1.173 328 D HN 0.663 nan 8.370 nan 0.000 0.467 329 M N 1.345 120.926 119.600 -0.031 0.000 2.943 329 M HA -0.228 4.251 4.480 -0.001 0.000 0.198 329 M C 0.009 176.288 176.300 -0.034 0.000 0.606 329 M CA 0.222 55.505 55.300 -0.029 0.000 0.744 329 M CB -2.849 29.737 32.600 -0.023 0.000 2.671 329 M HN 0.579 nan 8.290 nan 0.000 0.342 330 C N 1.783 121.058 119.300 -0.041 0.000 2.657 330 C HA 0.381 4.840 4.460 -0.001 0.000 0.420 330 C C 1.037 176.004 174.990 -0.039 0.000 1.323 330 C CA -0.362 58.631 59.018 -0.041 0.000 1.894 330 C CB -0.285 27.424 27.740 -0.051 0.000 2.681 330 C HN 0.358 nan 8.230 nan 0.000 0.613 331 I N 6.062 126.611 120.570 -0.035 0.000 2.331 331 I HA 0.389 4.558 4.170 -0.001 0.000 0.292 331 I C -0.171 175.927 176.117 -0.031 0.000 0.998 331 I CA -0.048 61.231 61.300 -0.035 0.000 1.267 331 I CB 1.287 39.269 38.000 -0.030 0.000 1.386 331 I HN 0.392 nan 8.210 nan 0.000 0.476 332 V N 5.387 125.282 119.914 -0.031 0.000 2.495 332 V HA 0.891 5.011 4.120 -0.001 0.000 0.298 332 V C 0.309 176.394 176.094 -0.014 0.000 1.031 332 V CA -0.391 61.898 62.300 -0.019 0.000 0.871 332 V CB 1.521 33.339 31.823 -0.008 0.000 0.988 332 V HN 0.934 nan 8.190 nan 0.000 0.432 333 G N 2.832 111.630 108.800 -0.003 0.000 2.660 333 G HA2 0.610 4.569 3.960 -0.001 0.000 0.290 333 G HA3 0.610 4.569 3.960 -0.001 0.000 0.290 333 G C -1.841 173.069 174.900 0.016 0.000 1.432 333 G CA -0.748 44.354 45.100 0.004 0.000 0.807 333 G HN 0.714 nan 8.290 nan 0.000 0.485 334 N N -0.783 117.932 118.700 0.025 0.000 2.260 334 N HA 0.505 5.245 4.740 -0.001 0.000 0.293 334 N C -0.505 175.020 175.510 0.025 0.000 1.058 334 N CA -0.784 52.287 53.050 0.034 0.000 0.824 334 N CB 2.065 40.586 38.487 0.056 0.000 1.551 334 N HN 0.403 nan 8.380 nan 0.000 0.475 335 I N 1.320 121.903 120.570 0.022 0.000 4.102 335 I HA 0.460 4.630 4.170 -0.001 0.000 0.325 335 I C 0.498 176.629 176.117 0.022 0.000 1.471 335 I CA -0.373 60.935 61.300 0.014 0.000 1.133 335 I CB -0.016 37.993 38.000 0.014 0.000 1.184 335 I HN 0.639 nan 8.210 nan 0.000 0.451 336 G N -0.796 108.027 108.800 0.037 0.000 2.562 336 G HA2 0.010 3.970 3.960 -0.001 0.000 0.275 336 G HA3 0.010 3.970 3.960 -0.001 0.000 0.275 336 G C 0.353 175.279 174.900 0.044 0.000 1.196 336 G CA -0.112 45.022 45.100 0.056 0.000 0.908 336 G HN 0.387 nan 8.290 nan 0.000 0.524 337 H N -0.493 118.530 119.070 -0.078 0.000 2.387 337 H HA 0.047 4.602 4.556 -0.001 0.000 0.299 337 H C -0.000 175.169 175.328 -0.264 0.000 1.090 337 H CA 1.301 57.206 56.048 -0.239 0.000 1.332 337 H CB -0.012 29.478 29.762 -0.452 0.000 1.386 337 H HN 0.216 nan 8.280 nan 0.000 0.516 338 F N 0.117 120.122 119.950 0.092 0.000 2.538 338 F HA 0.163 4.689 4.527 -0.001 0.000 0.325 338 F C 1.029 176.849 175.800 0.034 0.000 1.066 338 F CA -1.331 56.694 58.000 0.041 0.000 0.946 338 F CB 1.380 40.450 39.000 0.116 0.000 1.199 338 F HN 0.158 nan 8.300 nan 0.000 0.473 339 D N -0.222 120.335 120.400 0.261 0.000 2.378 339 D HA -0.137 4.503 4.640 -0.001 0.000 0.227 339 D C 0.708 177.090 176.300 0.137 0.000 1.012 339 D CA 0.616 54.710 54.000 0.157 0.000 0.905 339 D CB -0.529 40.344 40.800 0.123 0.000 0.895 339 D HN 0.532 nan 8.370 nan 0.000 0.532 340 N N 0.908 119.694 118.700 0.144 0.000 2.461 340 N HA -0.106 4.633 4.740 -0.001 0.000 0.188 340 N C 1.071 176.648 175.510 0.113 0.000 1.134 340 N CA 0.121 53.235 53.050 0.106 0.000 0.878 340 N CB -0.321 38.208 38.487 0.069 0.000 0.972 340 N HN 0.285 nan 8.380 nan 0.000 0.456 341 E N 0.172 120.450 120.200 0.128 0.000 2.204 341 E HA 0.008 4.357 4.350 -0.001 0.000 0.195 341 E C 0.226 176.889 176.600 0.104 0.000 0.990 341 E CA 0.658 57.126 56.400 0.113 0.000 0.821 341 E CB 0.225 29.990 29.700 0.108 0.000 0.750 341 E HN 0.483 nan 8.360 nan 0.000 0.477 342 I N 1.098 121.730 120.570 0.105 0.000 2.525 342 I HA 0.073 4.242 4.170 -0.001 0.000 0.301 342 I C 0.326 176.508 176.117 0.107 0.000 0.992 342 I CA -0.482 60.882 61.300 0.106 0.000 1.162 342 I CB 1.629 39.689 38.000 0.099 0.000 1.332 342 I HN -0.212 nan 8.210 nan 0.000 0.458 343 Q N 3.775 123.640 119.800 0.108 0.000 3.184 343 Q HA 0.106 4.446 4.340 -0.001 0.000 0.288 343 Q C 0.995 177.066 176.000 0.118 0.000 1.412 343 Q CA -0.249 55.614 55.803 0.099 0.000 0.991 343 Q CB 0.442 29.231 28.738 0.085 0.000 1.688 343 Q HN 0.609 nan 8.270 nan 0.000 0.554 344 V N 0.402 120.396 119.914 0.134 0.000 2.295 344 V HA -0.322 3.797 4.120 -0.001 0.000 0.246 344 V C 2.240 178.447 176.094 0.188 0.000 1.049 344 V CA 2.149 64.564 62.300 0.191 0.000 1.024 344 V CB -0.697 31.258 31.823 0.219 0.000 0.648 344 V HN 0.722 nan 8.190 nan 0.000 0.447 345 A N 0.192 123.081 122.820 0.116 0.000 1.986 345 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 345 A C 2.341 179.966 177.584 0.070 0.000 1.171 345 A CA 2.201 54.281 52.037 0.071 0.000 0.640 345 A CB -0.691 18.332 19.000 0.038 0.000 0.811 345 A HN 0.631 nan 8.150 nan 0.000 0.451 346 A N -0.829 122.040 122.820 0.082 0.000 2.066 346 A HA 0.185 4.505 4.320 -0.001 0.000 0.218 346 A C 1.925 179.552 177.584 0.071 0.000 1.157 346 A CA 1.143 53.220 52.037 0.066 0.000 0.670 346 A CB -0.387 18.654 19.000 0.067 0.000 0.804 346 A HN 0.484 nan 8.150 nan 0.000 0.453 347 L N -1.261 120.044 121.223 0.137 0.000 2.446 347 L HA 0.050 4.389 4.340 -0.001 0.000 0.219 347 L C 2.164 179.239 176.870 0.342 0.000 1.116 347 L CA -0.072 54.867 54.840 0.166 0.000 0.844 347 L CB -0.250 41.929 42.059 0.199 0.000 0.970 347 L HN 0.123 nan 8.230 nan 0.000 0.457 348 R N 1.347 121.976 120.500 0.215 0.000 2.249 348 R HA -0.099 4.241 4.340 -0.001 0.000 0.230 348 R C 1.321 177.595 176.300 -0.043 0.000 1.121 348 R CA 0.990 57.079 56.100 -0.017 0.000 0.997 348 R CB -0.859 29.367 30.300 -0.124 0.000 0.867 348 R HN 0.685 nan 8.270 nan 0.000 0.465 349 N N 0.090 118.796 118.700 0.010 0.000 2.336 349 N HA 0.013 4.752 4.740 -0.001 0.000 0.189 349 N C 0.425 175.935 175.510 -0.000 0.000 1.113 349 N CA 0.011 53.053 53.050 -0.013 0.000 0.858 349 N CB 0.376 38.852 38.487 -0.018 0.000 0.970 349 N HN 0.091 nan 8.380 nan 0.000 0.471 350 L N 0.825 122.074 121.223 0.043 0.000 2.400 350 L HA 0.290 4.629 4.340 -0.001 0.000 0.264 350 L C 0.649 177.631 176.870 0.186 0.000 1.061 350 L CA -0.989 53.862 54.840 0.018 0.000 0.799 350 L CB 0.928 42.871 42.059 -0.194 0.000 1.240 350 L HN -0.036 nan 8.230 nan 0.000 0.461 351 K N 0.854 121.326 120.400 0.120 0.000 2.349 351 K HA 0.121 4.441 4.320 -0.001 0.000 0.289 351 K C -1.627 175.130 176.600 0.262 0.000 1.064 351 K CA -0.337 56.048 56.287 0.163 0.000 0.947 351 K CB 0.390 32.938 32.500 0.079 0.000 1.007 351 K HN 0.290 nan 8.250 nan 0.000 0.478 352 W N 2.544 123.827 121.300 -0.029 0.000 2.469 352 W HA 0.289 4.948 4.660 -0.001 0.000 0.320 352 W C -0.335 176.180 176.519 -0.007 0.000 1.086 352 W CA -0.549 56.786 57.345 -0.017 0.000 1.211 352 W CB 1.927 31.378 29.460 -0.015 0.000 1.298 352 W HN 0.376 nan 8.180 nan 0.000 0.525 353 T N 3.163 117.821 114.554 0.174 0.000 2.815 353 T HA 0.127 4.477 4.350 -0.001 0.000 0.289 353 T C -0.396 174.363 174.700 0.097 0.000 1.000 353 T CA -0.737 61.431 62.100 0.112 0.000 0.958 353 T CB 0.531 69.434 68.868 0.058 0.000 0.944 353 T HN 0.245 nan 8.240 nan 0.000 0.442 354 N N 2.427 121.193 118.700 0.110 0.000 2.497 354 N HA 0.155 4.894 4.740 -0.001 0.000 0.268 354 N C 0.951 176.486 175.510 0.041 0.000 1.171 354 N CA 0.066 53.166 53.050 0.084 0.000 0.948 354 N CB 0.780 39.317 38.487 0.084 0.000 1.069 354 N HN 0.263 nan 8.380 nan 0.000 0.460 355 V N 3.311 123.236 119.914 0.019 0.000 2.403 355 V HA 0.096 4.215 4.120 -0.001 0.000 0.239 355 V C 0.590 176.687 176.094 0.005 0.000 1.041 355 V CA 1.355 63.658 62.300 0.006 0.000 1.051 355 V CB -0.609 31.208 31.823 -0.009 0.000 0.704 355 V HN 0.911 nan 8.190 nan 0.000 0.472 356 K N -0.982 119.417 120.400 -0.002 0.000 2.614 356 K HA 0.401 4.720 4.320 -0.001 0.000 0.293 356 K C -3.294 173.294 176.600 -0.021 0.000 1.045 356 K CA -1.861 54.423 56.287 -0.005 0.000 0.880 356 K CB 0.942 33.437 32.500 -0.008 0.000 1.552 356 K HN -0.191 nan 8.250 nan 0.000 0.404 357 P HA -0.032 nan 4.420 nan 0.000 0.260 357 P C -0.950 176.279 177.300 -0.119 0.000 1.172 357 P CA 0.828 63.890 63.100 -0.063 0.000 0.760 357 P CB 0.286 31.964 31.700 -0.037 0.000 0.773 358 Q N -0.696 118.977 119.800 -0.211 0.000 2.489 358 Q HA -0.142 4.197 4.340 -0.001 0.000 0.259 358 Q C -0.728 175.187 176.000 -0.142 0.000 0.934 358 Q CA 0.991 56.629 55.803 -0.275 0.000 1.131 358 Q CB -2.175 26.379 28.738 -0.307 0.000 1.472 358 Q HN 0.267 nan 8.270 nan 0.000 0.560 359 V N 0.763 120.625 119.914 -0.087 0.000 2.488 359 V HA 0.482 4.602 4.120 -0.001 0.000 0.293 359 V C -0.467 175.602 176.094 -0.043 0.000 1.027 359 V CA -0.756 61.507 62.300 -0.062 0.000 0.862 359 V CB 2.068 33.862 31.823 -0.048 0.000 1.008 359 V HN 0.120 nan 8.190 nan 0.000 0.428 360 D N 3.907 124.264 120.400 -0.073 0.000 2.780 360 D HA 0.461 5.100 4.640 -0.001 0.000 0.242 360 D C -1.146 175.045 176.300 -0.181 0.000 1.135 360 D CA -0.558 53.390 54.000 -0.087 0.000 0.859 360 D CB 3.390 44.160 40.800 -0.051 0.000 1.530 360 D HN 0.268 nan 8.370 nan 0.000 0.493 361 L N 2.597 123.738 121.223 -0.136 0.000 2.257 361 L HA 0.436 4.775 4.340 -0.001 0.000 0.290 361 L C -0.636 176.103 176.870 -0.218 0.000 1.044 361 L CA -0.306 54.452 54.840 -0.136 0.000 0.810 361 L CB 0.746 42.773 42.059 -0.053 0.000 1.193 361 L HN 0.303 nan 8.230 nan 0.000 0.425 362 I N 4.116 124.520 120.570 -0.278 0.000 2.378 362 I HA 0.366 4.535 4.170 -0.001 0.000 0.291 362 I C -0.134 175.935 176.117 -0.080 0.000 0.992 362 I CA -0.415 60.672 61.300 -0.354 0.000 1.154 362 I CB 1.683 39.306 38.000 -0.628 0.000 1.315 362 I HN 0.546 nan 8.210 nan 0.000 0.448 363 E N 6.292 126.461 120.200 -0.052 0.000 2.145 363 E HA 0.444 4.793 4.350 -0.001 0.000 0.270 363 E C -1.341 175.282 176.600 0.037 0.000 0.906 363 E CA -0.602 55.835 56.400 0.061 0.000 0.761 363 E CB 1.178 30.908 29.700 0.049 0.000 1.116 363 E HN 0.343 nan 8.360 nan 0.000 0.408 364 F N 4.223 124.170 119.950 -0.004 0.000 2.370 364 F HA 0.254 4.780 4.527 -0.001 0.000 0.324 364 F C -1.211 174.598 175.800 0.015 0.000 1.116 364 F CA -1.854 56.152 58.000 0.009 0.000 1.123 364 F CB 0.780 39.781 39.000 0.002 0.000 1.238 364 F HN 0.531 nan 8.300 nan 0.000 0.536 365 P HA -0.242 nan 4.420 nan 0.000 0.218 365 P C 0.708 178.069 177.300 0.101 0.000 1.154 365 P CA 1.811 64.974 63.100 0.106 0.000 0.872 365 P CB -0.061 31.698 31.700 0.099 0.000 0.790 366 D N -2.294 118.180 120.400 0.123 0.000 2.324 366 D HA 0.051 4.690 4.640 -0.001 0.000 0.235 366 D C 1.330 177.670 176.300 0.065 0.000 1.095 366 D CA 0.714 54.760 54.000 0.076 0.000 0.871 366 D CB -0.665 40.169 40.800 0.056 0.000 0.906 366 D HN 0.291 nan 8.370 nan 0.000 0.522 367 G N 0.967 109.819 108.800 0.086 0.000 2.195 367 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.246 367 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.246 367 G C 0.271 175.210 174.900 0.066 0.000 0.984 367 G CA 0.142 45.281 45.100 0.065 0.000 0.633 367 G HN 0.518 nan 8.290 nan 0.000 0.525 368 K N 1.118 121.563 120.400 0.074 0.000 2.412 368 K HA 0.394 4.713 4.320 -0.001 0.000 0.281 368 K C 0.395 177.055 176.600 0.099 0.000 1.027 368 K CA -0.185 56.124 56.287 0.036 0.000 0.989 368 K CB 0.208 32.670 32.500 -0.063 0.000 0.935 368 K HN 0.381 nan 8.250 nan 0.000 0.475 369 R N 3.667 124.196 120.500 0.049 0.000 2.532 369 R HA 0.489 4.828 4.340 -0.001 0.000 0.295 369 R C -0.557 175.759 176.300 0.025 0.000 0.968 369 R CA -0.712 55.422 56.100 0.056 0.000 0.916 369 R CB 1.181 31.493 30.300 0.019 0.000 1.124 369 R HN 0.453 nan 8.270 nan 0.000 0.463 370 L N 3.192 124.434 121.223 0.033 0.000 2.333 370 L HA 0.576 4.915 4.340 -0.001 0.000 0.269 370 L C -0.464 176.366 176.870 -0.067 0.000 1.010 370 L CA -0.985 53.848 54.840 -0.011 0.000 0.818 370 L CB 2.008 44.086 42.059 0.033 0.000 1.306 370 L HN 0.474 nan 8.230 nan 0.000 0.430 371 I N 3.172 123.701 120.570 -0.068 0.000 2.330 371 I HA 0.269 4.438 4.170 -0.001 0.000 0.289 371 I C -0.745 175.312 176.117 -0.099 0.000 1.001 371 I CA -0.508 60.739 61.300 -0.087 0.000 1.193 371 I CB 1.761 39.726 38.000 -0.059 0.000 1.345 371 I HN 0.263 nan 8.210 nan 0.000 0.461 372 L N 8.340 129.473 121.223 -0.151 0.000 2.307 372 L HA 0.568 4.907 4.340 -0.001 0.000 0.284 372 L C -0.945 175.866 176.870 -0.098 0.000 1.023 372 L CA -0.217 54.541 54.840 -0.138 0.000 0.810 372 L CB 1.319 43.232 42.059 -0.242 0.000 1.231 372 L HN 0.420 nan 8.230 nan 0.000 0.423 373 L N 4.993 126.182 121.223 -0.056 0.000 2.295 373 L HA 0.432 4.771 4.340 -0.001 0.000 0.285 373 L C 0.935 177.785 176.870 -0.035 0.000 1.035 373 L CA -0.725 54.085 54.840 -0.050 0.000 0.806 373 L CB 1.475 43.513 42.059 -0.036 0.000 1.214 373 L HN 0.830 nan 8.230 nan 0.000 0.426 374 S N 1.628 117.276 115.700 -0.088 0.000 3.587 374 S HA -0.202 4.267 4.470 -0.001 0.000 0.337 374 S C 0.658 175.287 174.600 0.050 0.000 1.119 374 S CA 1.185 59.308 58.200 -0.129 0.000 0.976 374 S CB -1.215 61.968 63.200 -0.028 0.000 0.922 374 S HN 0.931 nan 8.310 nan 0.000 0.503 375 E N -1.579 118.671 120.200 0.083 0.000 2.403 375 E HA -0.283 4.066 4.350 -0.001 0.000 0.241 375 E C 0.944 177.680 176.600 0.227 0.000 1.201 375 E CA 0.710 57.258 56.400 0.246 0.000 0.721 375 E CB -1.964 27.970 29.700 0.389 0.000 1.245 375 E HN 1.457 nan 8.360 nan 0.000 0.392 376 G N -0.292 108.594 108.800 0.143 0.000 2.159 376 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.256 376 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.256 376 G C 0.291 175.266 174.900 0.125 0.000 0.977 376 G CA 0.589 45.763 45.100 0.124 0.000 0.652 376 G HN 0.285 nan 8.290 nan 0.000 0.531 377 R N -0.651 119.943 120.500 0.156 0.000 2.549 377 R HA 0.630 4.969 4.340 -0.001 0.000 0.267 377 R C 0.677 177.023 176.300 0.076 0.000 1.045 377 R CA -0.972 55.207 56.100 0.133 0.000 1.115 377 R CB 0.353 30.784 30.300 0.220 0.000 1.121 377 R HN 0.188 nan 8.270 nan 0.000 0.543 378 L N 3.371 124.604 121.223 0.017 0.000 2.771 378 L HA -0.078 4.262 4.340 -0.001 0.000 0.278 378 L C 1.134 177.998 176.870 -0.011 0.000 1.175 378 L CA 0.439 55.266 54.840 -0.022 0.000 0.973 378 L CB -0.827 41.176 42.059 -0.093 0.000 1.286 378 L HN 0.631 nan 8.230 nan 0.000 0.481 379 L N 1.399 122.619 121.223 -0.004 0.000 2.240 379 L HA 0.020 4.359 4.340 -0.001 0.000 0.211 379 L C 2.102 178.964 176.870 -0.014 0.000 1.106 379 L CA 1.221 56.058 54.840 -0.005 0.000 0.793 379 L CB -0.999 41.058 42.059 -0.004 0.000 0.927 379 L HN 0.707 nan 8.230 nan 0.000 0.446 380 N N 1.220 119.910 118.700 -0.017 0.000 2.120 380 N HA -0.213 4.526 4.740 -0.001 0.000 0.188 380 N C 1.677 177.165 175.510 -0.036 0.000 1.024 380 N CA 2.223 55.267 53.050 -0.009 0.000 0.852 380 N CB -0.887 37.613 38.487 0.021 0.000 1.003 380 N HN 0.521 nan 8.380 nan 0.000 0.424 381 L N -0.315 120.855 121.223 -0.087 0.000 2.249 381 L HA 0.229 4.568 4.340 -0.001 0.000 0.207 381 L C 2.620 179.475 176.870 -0.026 0.000 1.090 381 L CA 0.946 55.723 54.840 -0.105 0.000 0.802 381 L CB -0.472 41.430 42.059 -0.262 0.000 0.947 381 L HN 0.312 nan 8.230 nan 0.000 0.453 382 G N -0.234 108.565 108.800 -0.001 0.000 2.394 382 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.215 382 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.215 382 G C 1.262 176.147 174.900 -0.026 0.000 1.165 382 G CA 0.682 45.798 45.100 0.027 0.000 0.784 382 G HN 0.350 nan 8.290 nan 0.000 0.535 383 N N -0.211 118.473 118.700 -0.027 0.000 2.392 383 N HA 0.432 5.171 4.740 -0.001 0.000 0.177 383 N C 0.999 176.508 175.510 -0.001 0.000 1.066 383 N CA 0.538 53.572 53.050 -0.027 0.000 0.895 383 N CB 0.557 39.027 38.487 -0.028 0.000 0.988 383 N HN 0.432 nan 8.380 nan 0.000 0.457 384 A N -0.575 122.250 122.820 0.008 0.000 3.389 384 A HA 0.447 4.767 4.320 -0.001 0.000 0.179 384 A C 0.363 177.966 177.584 0.032 0.000 0.848 384 A CA 0.199 52.252 52.037 0.027 0.000 1.090 384 A CB -0.167 18.851 19.000 0.030 0.000 1.808 384 A HN 0.130 nan 8.150 nan 0.000 0.715 385 T N -2.651 111.923 114.554 0.033 0.000 3.231 385 T HA 0.526 4.875 4.350 -0.001 0.000 0.292 385 T C 1.020 175.723 174.700 0.004 0.000 1.001 385 T CA 1.221 63.339 62.100 0.029 0.000 0.920 385 T CB -0.342 68.561 68.868 0.058 0.000 1.140 385 T HN 2.525 nan 8.240 nan 0.000 0.525 386 G N 1.987 110.777 108.800 -0.016 0.000 2.645 386 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.239 386 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.239 386 G C -0.776 174.178 174.900 0.091 0.000 1.331 386 G CA -0.540 44.526 45.100 -0.057 0.000 0.890 386 G HN 0.713 nan 8.290 nan 0.000 0.572 387 H N 1.558 120.614 119.070 -0.023 0.000 2.707 387 H HA 0.467 5.023 4.556 -0.001 0.000 0.359 387 H C -1.555 173.776 175.328 0.005 0.000 1.113 387 H CA -0.925 55.118 56.048 -0.007 0.000 1.422 387 H CB 0.023 29.769 29.762 -0.026 0.000 1.443 387 H HN 0.389 nan 8.280 nan 0.000 0.591 388 P HA 0.021 nan 4.420 nan 0.000 0.270 388 P C 0.735 178.101 177.300 0.109 0.000 1.223 388 P CA -0.056 63.113 63.100 0.115 0.000 0.785 388 P CB 0.720 32.485 31.700 0.109 0.000 0.923 389 S N 0.418 116.181 115.700 0.105 0.000 2.365 389 S HA -0.228 4.242 4.470 -0.001 0.000 0.225 389 S C 1.544 176.204 174.600 0.100 0.000 1.039 389 S CA 1.382 59.638 58.200 0.092 0.000 1.033 389 S CB -1.159 62.102 63.200 0.102 0.000 0.887 389 S HN 0.537 nan 8.310 nan 0.000 0.447 390 F N 1.554 121.519 119.950 0.025 0.000 2.091 390 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 390 F C 2.422 178.211 175.800 -0.018 0.000 1.103 390 F CA 1.545 59.565 58.000 0.032 0.000 1.228 390 F CB -0.468 38.548 39.000 0.026 0.000 0.984 390 F HN 0.050 nan 8.300 nan 0.000 0.477 391 V N 0.468 120.413 119.914 0.052 0.000 2.453 391 V HA -0.251 3.868 4.120 -0.001 0.000 0.247 391 V C 2.173 178.149 176.094 -0.197 0.000 1.048 391 V CA 1.596 63.857 62.300 -0.065 0.000 1.049 391 V CB -0.218 31.648 31.823 0.072 0.000 0.672 391 V HN 0.340 nan 8.190 nan 0.000 0.457 392 M N -0.304 119.185 119.600 -0.186 0.000 2.279 392 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 392 M C 2.451 178.480 176.300 -0.451 0.000 1.062 392 M CA 1.966 57.001 55.300 -0.441 0.000 1.099 392 M CB -1.797 30.541 32.600 -0.436 0.000 1.394 392 M HN 0.510 nan 8.290 nan 0.000 0.426 393 S N 0.431 115.993 115.700 -0.230 0.000 2.382 393 S HA -0.079 4.390 4.470 -0.001 0.000 0.228 393 S C 2.017 176.557 174.600 -0.100 0.000 1.027 393 S CA 1.414 59.575 58.200 -0.065 0.000 0.991 393 S CB -0.046 63.170 63.200 0.026 0.000 0.823 393 S HN 0.502 nan 8.310 nan 0.000 0.469 394 A N 0.634 123.188 122.820 -0.442 0.000 1.898 394 A HA 0.016 4.335 4.320 -0.001 0.000 0.216 394 A C 2.431 179.884 177.584 -0.218 0.000 1.181 394 A CA 1.938 53.659 52.037 -0.526 0.000 0.620 394 A CB -1.098 17.463 19.000 -0.732 0.000 0.819 394 A HN 0.569 nan 8.150 nan 0.000 0.442 395 S N -0.522 115.052 115.700 -0.210 0.000 2.356 395 S HA -0.078 4.392 4.470 -0.001 0.000 0.223 395 S C 1.581 176.242 174.600 0.101 0.000 1.032 395 S CA 1.371 59.512 58.200 -0.098 0.000 1.005 395 S CB -0.457 62.613 63.200 -0.217 0.000 0.867 395 S HN 0.514 nan 8.310 nan 0.000 0.449 396 F N 2.108 122.060 119.950 0.002 0.000 2.367 396 F HA 0.048 4.575 4.527 -0.001 0.000 0.298 396 F C 2.633 178.443 175.800 0.017 0.000 1.094 396 F CA 0.336 58.347 58.000 0.018 0.000 1.409 396 F CB -1.731 37.276 39.000 0.012 0.000 1.064 396 F HN 0.144 nan 8.300 nan 0.000 0.528 397 T N -0.145 114.527 114.554 0.196 0.000 2.821 397 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 397 T C 1.931 176.690 174.700 0.098 0.000 1.046 397 T CA 1.188 63.369 62.100 0.134 0.000 1.139 397 T CB -0.233 68.718 68.868 0.138 0.000 0.871 397 T HN 0.215 nan 8.240 nan 0.000 0.454 398 N N 1.163 119.913 118.700 0.084 0.000 2.069 398 N HA -0.108 4.632 4.740 -0.001 0.000 0.191 398 N C 2.090 177.643 175.510 0.071 0.000 1.031 398 N CA 0.972 54.060 53.050 0.064 0.000 0.852 398 N CB -0.249 38.270 38.487 0.054 0.000 1.018 398 N HN 0.361 nan 8.380 nan 0.000 0.423 399 Q N 0.828 120.698 119.800 0.116 0.000 2.112 399 Q HA -0.104 4.235 4.340 -0.001 0.000 0.206 399 Q C 2.311 178.331 176.000 0.034 0.000 0.987 399 Q CA 0.949 56.807 55.803 0.092 0.000 0.858 399 Q CB -0.605 28.215 28.738 0.136 0.000 0.905 399 Q HN 0.233 nan 8.270 nan 0.000 0.420 400 V N 1.078 121.013 119.914 0.034 0.000 2.307 400 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 400 V C 2.471 178.529 176.094 -0.060 0.000 1.045 400 V CA 1.394 63.684 62.300 -0.017 0.000 1.024 400 V CB -0.589 31.238 31.823 0.005 0.000 0.651 400 V HN 0.264 nan 8.190 nan 0.000 0.449 401 L N 0.361 121.567 121.223 -0.028 0.000 2.083 401 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 401 L C 2.643 179.485 176.870 -0.046 0.000 1.083 401 L CA 1.738 56.549 54.840 -0.048 0.000 0.752 401 L CB -1.156 40.903 42.059 0.001 0.000 0.899 401 L HN 0.468 nan 8.230 nan 0.000 0.433 402 G N -1.108 107.677 108.800 -0.026 0.000 2.418 402 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.217 402 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.217 402 G C 1.547 176.408 174.900 -0.066 0.000 1.158 402 G CA 0.222 45.298 45.100 -0.041 0.000 0.771 402 G HN 0.267 nan 8.290 nan 0.000 0.545 403 Q N 0.109 119.876 119.800 -0.055 0.000 2.079 403 Q HA 0.016 4.355 4.340 -0.001 0.000 0.200 403 Q C 2.756 178.734 176.000 -0.036 0.000 0.974 403 Q CA 0.750 56.520 55.803 -0.055 0.000 0.840 403 Q CB -0.248 28.449 28.738 -0.069 0.000 0.898 403 Q HN 0.565 nan 8.270 nan 0.000 0.430 404 I N 1.063 121.585 120.570 -0.079 0.000 2.163 404 I HA -0.271 3.899 4.170 -0.001 0.000 0.243 404 I C 2.314 178.425 176.117 -0.010 0.000 1.085 404 I CA 1.033 62.288 61.300 -0.075 0.000 1.347 404 I CB -0.238 37.617 38.000 -0.242 0.000 1.044 404 I HN 0.137 nan 8.210 nan 0.000 0.408 405 E N 0.826 121.007 120.200 -0.033 0.000 2.023 405 E HA -0.187 4.162 4.350 -0.001 0.000 0.196 405 E C 2.316 178.876 176.600 -0.067 0.000 1.003 405 E CA 1.389 57.784 56.400 -0.010 0.000 0.809 405 E CB -0.414 29.266 29.700 -0.033 0.000 0.755 405 E HN 0.482 nan 8.360 nan 0.000 0.449 406 L N -0.373 120.747 121.223 -0.171 0.000 2.291 406 L HA -0.080 4.259 4.340 -0.001 0.000 0.214 406 L C 2.338 179.191 176.870 -0.029 0.000 1.120 406 L CA 0.486 55.200 54.840 -0.210 0.000 0.799 406 L CB -0.252 41.667 42.059 -0.232 0.000 0.925 406 L HN 0.049 nan 8.230 nan 0.000 0.446 407 F N 0.825 120.709 119.950 -0.111 0.000 2.317 407 F HA -0.120 4.406 4.527 -0.001 0.000 0.293 407 F C 2.557 178.325 175.800 -0.052 0.000 1.085 407 F CA 1.533 59.484 58.000 -0.081 0.000 1.390 407 F CB 0.031 38.981 39.000 -0.084 0.000 1.077 407 F HN 0.016 nan 8.300 nan 0.000 0.517 408 T N -2.506 112.030 114.554 -0.030 0.000 3.060 408 T HA 0.231 4.580 4.350 -0.001 0.000 0.249 408 T C 1.035 175.698 174.700 -0.063 0.000 1.079 408 T CA -0.130 61.913 62.100 -0.095 0.000 1.013 408 T CB -0.147 68.739 68.868 0.029 0.000 0.975 408 T HN 0.270 nan 8.240 nan 0.000 0.518 409 R N 0.565 121.062 120.500 -0.005 0.000 2.617 409 R HA 0.237 4.577 4.340 -0.001 0.000 0.432 409 R C 0.706 177.084 176.300 0.130 0.000 1.018 409 R CA -0.042 56.093 56.100 0.059 0.000 1.077 409 R CB 0.114 30.489 30.300 0.126 0.000 1.394 409 R HN 0.208 nan 8.270 nan 0.000 0.608 410 T N 0.803 115.378 114.554 0.035 0.000 2.833 410 T HA -0.158 4.191 4.350 -0.001 0.000 0.269 410 T C 1.319 176.083 174.700 0.107 0.000 1.054 410 T CA 1.910 64.047 62.100 0.061 0.000 1.135 410 T CB -0.146 68.698 68.868 -0.041 0.000 0.869 410 T HN 0.445 nan 8.240 nan 0.000 0.466 411 D N 1.648 122.074 120.400 0.043 0.000 2.347 411 D HA 0.156 4.795 4.640 -0.001 0.000 0.215 411 D C 1.808 178.104 176.300 -0.006 0.000 0.976 411 D CA 0.577 54.589 54.000 0.020 0.000 0.884 411 D CB -0.487 40.308 40.800 -0.009 0.000 0.915 411 D HN 0.436 nan 8.370 nan 0.000 0.526 412 A N -0.937 121.857 122.820 -0.044 0.000 2.206 412 A HA 0.094 4.413 4.320 -0.001 0.000 0.211 412 A C -0.124 177.206 177.584 -0.423 0.000 1.158 412 A CA 0.204 52.090 52.037 -0.251 0.000 0.761 412 A CB -0.472 18.294 19.000 -0.391 0.000 0.801 412 A HN 0.253 nan 8.150 nan 0.000 0.473 413 Y N -1.503 118.732 120.300 -0.108 0.000 2.485 413 Y HA 0.587 5.137 4.550 -0.001 0.000 0.345 413 Y C 0.570 176.480 175.900 0.015 0.000 0.998 413 Y CA -0.140 57.853 58.100 -0.177 0.000 1.059 413 Y CB 1.440 39.684 38.460 -0.360 0.000 1.234 413 Y HN 0.112 nan 8.280 nan 0.000 0.461 414 K N -0.706 119.895 120.400 0.335 0.000 2.393 414 K HA 0.636 4.955 4.320 -0.001 0.000 0.241 414 K C 0.207 176.990 176.600 0.305 0.000 1.055 414 K CA -0.365 56.086 56.287 0.273 0.000 0.951 414 K CB -0.565 32.072 32.500 0.229 0.000 1.285 414 K HN 0.883 nan 8.250 nan 0.000 0.500 415 N N 2.238 121.051 118.700 0.187 0.000 3.210 415 N HA 0.300 5.040 4.740 -0.001 0.000 0.314 415 N C -0.090 175.491 175.510 0.120 0.000 1.291 415 N CA 0.570 53.697 53.050 0.129 0.000 1.202 415 N CB -0.945 37.565 38.487 0.038 0.000 1.475 415 N HN 0.607 nan 8.380 nan 0.000 0.554 416 E N -1.632 118.705 120.200 0.227 0.000 2.456 416 E HA 0.564 4.913 4.350 -0.001 0.000 0.276 416 E C -1.331 175.347 176.600 0.129 0.000 0.981 416 E CA -0.916 55.544 56.400 0.101 0.000 0.814 416 E CB 1.261 30.940 29.700 -0.034 0.000 1.382 416 E HN -0.000 nan 8.360 nan 0.000 0.459 417 V N 1.749 121.659 119.914 -0.007 0.000 2.432 417 V HA 0.213 4.332 4.120 -0.001 0.000 0.271 417 V C -0.982 175.099 176.094 -0.022 0.000 1.046 417 V CA -0.022 62.282 62.300 0.006 0.000 0.945 417 V CB -0.657 31.038 31.823 -0.214 0.000 0.992 417 V HN 0.498 nan 8.190 nan 0.000 0.471 418 Y N 3.186 123.551 120.300 0.109 0.000 2.567 418 Y HA 0.741 5.290 4.550 -0.001 0.000 0.333 418 Y C 0.282 176.263 175.900 0.134 0.000 1.106 418 Y CA -0.987 57.209 58.100 0.161 0.000 1.157 418 Y CB 2.116 40.716 38.460 0.233 0.000 1.277 418 Y HN 0.519 nan 8.280 nan 0.000 0.490 419 V N -0.439 119.659 119.914 0.307 0.000 2.960 419 V HA 0.583 4.703 4.120 -0.001 0.000 0.315 419 V C -0.591 175.631 176.094 0.214 0.000 1.087 419 V CA -1.442 60.989 62.300 0.220 0.000 0.982 419 V CB 1.526 33.461 31.823 0.186 0.000 1.039 419 V HN 0.652 nan 8.190 nan 0.000 0.437 420 L N 3.268 124.580 121.223 0.147 0.000 2.467 420 L HA 0.369 4.709 4.340 -0.001 0.000 0.270 420 L C -1.722 175.208 176.870 0.100 0.000 1.205 420 L CA -1.298 53.608 54.840 0.111 0.000 0.828 420 L CB 0.465 42.555 42.059 0.051 0.000 1.101 420 L HN 0.588 nan 8.230 nan 0.000 0.479 421 P HA 0.043 nan 4.420 nan 0.000 0.274 421 P C -0.101 177.222 177.300 0.038 0.000 1.237 421 P CA -0.510 62.648 63.100 0.096 0.000 0.793 421 P CB 0.943 32.749 31.700 0.176 0.000 0.977 422 K N 1.104 121.568 120.400 0.106 0.000 2.147 422 K HA -0.216 4.103 4.320 -0.001 0.000 0.205 422 K C 2.030 178.686 176.600 0.093 0.000 1.049 422 K CA 1.754 58.108 56.287 0.111 0.000 0.936 422 K CB -0.440 32.148 32.500 0.145 0.000 0.722 422 K HN 0.654 nan 8.250 nan 0.000 0.446 423 H N -0.720 118.385 119.070 0.057 0.000 2.456 423 H HA -0.058 4.497 4.556 -0.001 0.000 0.296 423 H C 1.849 177.216 175.328 0.064 0.000 1.079 423 H CA 1.259 57.334 56.048 0.045 0.000 1.322 423 H CB -0.221 29.553 29.762 0.021 0.000 1.388 423 H HN 0.127 nan 8.280 nan 0.000 0.538 424 L N 0.172 121.093 121.223 -0.503 0.000 2.044 424 L HA -0.113 4.227 4.340 -0.001 0.000 0.205 424 L C 2.282 179.103 176.870 -0.081 0.000 1.075 424 L CA 1.242 55.907 54.840 -0.292 0.000 0.747 424 L CB -0.398 41.489 42.059 -0.288 0.000 0.903 424 L HN 0.338 nan 8.230 nan 0.000 0.435 425 D N 0.436 120.809 120.400 -0.045 0.000 2.116 425 D HA -0.216 4.423 4.640 -0.001 0.000 0.193 425 D C 2.060 178.370 176.300 0.016 0.000 0.998 425 D CA 1.393 55.391 54.000 -0.003 0.000 0.836 425 D CB 0.133 40.950 40.800 0.027 0.000 0.951 425 D HN 0.342 nan 8.370 nan 0.000 0.449 426 E N 0.222 120.459 120.200 0.062 0.000 2.077 426 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 426 E C 2.097 178.753 176.600 0.094 0.000 0.989 426 E CA 0.613 57.081 56.400 0.114 0.000 0.800 426 E CB -0.007 29.804 29.700 0.186 0.000 0.746 426 E HN 0.228 nan 8.360 nan 0.000 0.452 427 K N 1.052 121.497 120.400 0.074 0.000 2.032 427 K HA -0.177 4.142 4.320 -0.001 0.000 0.209 427 K C 2.126 178.762 176.600 0.061 0.000 1.048 427 K CA 1.285 57.615 56.287 0.071 0.000 0.927 427 K CB -0.047 32.491 32.500 0.064 0.000 0.712 427 K HN -0.036 nan 8.250 nan 0.000 0.441 428 V N 1.230 121.170 119.914 0.043 0.000 2.287 428 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 428 V C 2.457 178.605 176.094 0.090 0.000 1.053 428 V CA 2.079 64.413 62.300 0.058 0.000 1.027 428 V CB -0.730 31.088 31.823 -0.009 0.000 0.646 428 V HN 0.527 nan 8.190 nan 0.000 0.447 429 A N -0.338 122.476 122.820 -0.010 0.000 1.902 429 A HA -0.252 4.068 4.320 -0.001 0.000 0.217 429 A C 2.410 180.037 177.584 0.072 0.000 1.181 429 A CA 1.977 53.990 52.037 -0.040 0.000 0.623 429 A CB -0.585 18.382 19.000 -0.055 0.000 0.818 429 A HN 0.472 nan 8.150 nan 0.000 0.443 430 R N -0.426 120.121 120.500 0.079 0.000 2.120 430 R HA -0.031 4.308 4.340 -0.001 0.000 0.234 430 R C 1.765 178.098 176.300 0.055 0.000 1.123 430 R CA 1.259 57.406 56.100 0.078 0.000 0.975 430 R CB -0.347 30.003 30.300 0.084 0.000 0.866 430 R HN 0.543 nan 8.270 nan 0.000 0.446 431 L N -0.690 120.554 121.223 0.036 0.000 2.275 431 L HA -0.121 4.218 4.340 -0.001 0.000 0.215 431 L C 1.286 178.039 176.870 -0.195 0.000 1.119 431 L CA 1.060 55.848 54.840 -0.088 0.000 0.790 431 L CB -0.148 41.816 42.059 -0.158 0.000 0.919 431 L HN 0.294 nan 8.230 nan 0.000 0.443 432 H N -1.678 117.379 119.070 -0.022 0.000 2.575 432 H HA 0.111 4.666 4.556 -0.001 0.000 0.267 432 H C 1.989 177.410 175.328 0.155 0.000 0.966 432 H CA 0.052 56.121 56.048 0.035 0.000 1.165 432 H CB 0.333 30.021 29.762 -0.124 0.000 1.433 432 H HN 0.132 nan 8.280 nan 0.000 0.544 433 L N 0.236 121.559 121.223 0.168 0.000 2.017 433 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 433 L C 1.723 178.648 176.870 0.091 0.000 1.073 433 L CA 1.421 56.336 54.840 0.125 0.000 0.745 433 L CB -0.185 41.924 42.059 0.083 0.000 0.894 433 L HN 0.393 nan 8.230 nan 0.000 0.432 434 D N 0.252 120.691 120.400 0.065 0.000 2.097 434 D HA -0.233 4.406 4.640 -0.001 0.000 0.195 434 D C 2.011 178.337 176.300 0.043 0.000 0.989 434 D CA 1.263 55.287 54.000 0.040 0.000 0.827 434 D CB -0.084 40.728 40.800 0.021 0.000 0.966 434 D HN 0.096 nan 8.370 nan 0.000 0.456 435 K N 1.210 121.654 120.400 0.074 0.000 2.189 435 K HA -0.157 4.163 4.320 -0.001 0.000 0.207 435 K C 1.823 178.429 176.600 0.009 0.000 1.046 435 K CA 1.054 57.391 56.287 0.082 0.000 0.928 435 K CB -0.331 32.309 32.500 0.233 0.000 0.720 435 K HN 0.202 nan 8.250 nan 0.000 0.458 436 L N -1.511 119.715 121.223 0.004 0.000 2.640 436 L HA 0.296 4.636 4.340 -0.001 0.000 0.230 436 L C 0.989 177.841 176.870 -0.030 0.000 1.123 436 L CA 0.077 54.881 54.840 -0.061 0.000 0.900 436 L CB 0.018 42.030 42.059 -0.079 0.000 1.146 436 L HN 0.404 nan 8.230 nan 0.000 0.484 437 G N 1.471 110.268 108.800 -0.005 0.000 2.273 437 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.280 437 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.280 437 G C 0.307 175.208 174.900 0.002 0.000 1.047 437 G CA 0.273 45.372 45.100 -0.002 0.000 0.869 437 G HN 0.503 nan 8.290 nan 0.000 0.502 438 A N -0.392 122.436 122.820 0.013 0.000 2.310 438 A HA 0.790 5.109 4.320 -0.001 0.000 0.300 438 A C 0.611 178.207 177.584 0.021 0.000 1.269 438 A CA 0.841 52.889 52.037 0.018 0.000 0.909 438 A CB 0.297 19.317 19.000 0.033 0.000 1.144 438 A HN 1.724 nan 8.150 nan 0.000 0.540 439 K N 2.844 123.252 120.400 0.013 0.000 2.262 439 K HA 0.563 4.882 4.320 -0.001 0.000 0.282 439 K C -0.577 176.029 176.600 0.010 0.000 1.066 439 K CA -0.474 55.820 56.287 0.012 0.000 0.901 439 K CB 0.658 33.163 32.500 0.007 0.000 1.089 439 K HN 0.777 nan 8.250 nan 0.000 0.476 440 L N 2.447 123.677 121.223 0.012 0.000 2.326 440 L HA 0.361 4.700 4.340 -0.001 0.000 0.278 440 L C 0.452 177.320 176.870 -0.004 0.000 1.092 440 L CA 0.347 55.188 54.840 0.002 0.000 0.810 440 L CB 1.666 43.731 42.059 0.011 0.000 1.153 440 L HN 0.788 nan 8.230 nan 0.000 0.439 441 T N 3.737 118.278 114.554 -0.021 0.000 2.910 441 T HA 0.434 4.783 4.350 -0.001 0.000 0.293 441 T C -0.422 174.269 174.700 -0.016 0.000 1.015 441 T CA -0.355 61.734 62.100 -0.018 0.000 1.094 441 T CB 1.033 69.885 68.868 -0.027 0.000 0.968 441 T HN 0.358 nan 8.240 nan 0.000 0.521 442 V N 4.179 124.098 119.914 0.009 0.000 2.435 442 V HA 0.346 4.465 4.120 -0.001 0.000 0.290 442 V C 0.259 176.378 176.094 0.042 0.000 1.030 442 V CA -0.886 61.437 62.300 0.038 0.000 0.881 442 V CB 1.352 33.205 31.823 0.050 0.000 0.983 442 V HN 0.711 nan 8.190 nan 0.000 0.445 443 L N 4.298 125.565 121.223 0.073 0.000 2.453 443 L HA 0.219 4.558 4.340 -0.001 0.000 0.272 443 L C 1.107 178.017 176.870 0.067 0.000 1.182 443 L CA 0.281 55.168 54.840 0.077 0.000 0.858 443 L CB 1.074 43.216 42.059 0.138 0.000 1.120 443 L HN 0.911 nan 8.230 nan 0.000 0.474 444 S N 1.215 116.942 115.700 0.046 0.000 2.576 444 S HA -0.017 4.453 4.470 -0.001 0.000 0.272 444 S C 0.951 175.581 174.600 0.050 0.000 1.352 444 S CA -0.495 57.728 58.200 0.038 0.000 1.021 444 S CB 1.207 64.420 63.200 0.021 0.000 0.887 444 S HN 0.684 nan 8.310 nan 0.000 0.542 445 E N 0.821 121.046 120.200 0.042 0.000 2.130 445 E HA -0.194 4.155 4.350 -0.001 0.000 0.196 445 E C 1.867 178.499 176.600 0.052 0.000 0.998 445 E CA 2.003 58.430 56.400 0.044 0.000 0.806 445 E CB -0.212 29.508 29.700 0.032 0.000 0.738 445 E HN 0.874 nan 8.360 nan 0.000 0.459 446 E N -0.569 119.658 120.200 0.046 0.000 2.072 446 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 446 E C 2.050 178.700 176.600 0.084 0.000 0.982 446 E CA 0.770 57.203 56.400 0.054 0.000 0.803 446 E CB 0.048 29.765 29.700 0.027 0.000 0.755 446 E HN 0.324 nan 8.360 nan 0.000 0.453 447 Q N -0.092 119.747 119.800 0.063 0.000 2.084 447 Q HA -0.155 4.184 4.340 -0.001 0.000 0.202 447 Q C 2.172 178.263 176.000 0.151 0.000 0.978 447 Q CA 1.374 57.231 55.803 0.089 0.000 0.844 447 Q CB -0.131 28.636 28.738 0.049 0.000 0.898 447 Q HN 0.278 nan 8.270 nan 0.000 0.426 448 A N 1.142 124.036 122.820 0.123 0.000 1.877 448 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 448 A C 2.316 179.964 177.584 0.108 0.000 1.186 448 A CA 1.695 53.808 52.037 0.126 0.000 0.620 448 A CB -0.935 18.129 19.000 0.105 0.000 0.822 448 A HN 0.416 nan 8.150 nan 0.000 0.443 449 A N -1.585 121.296 122.820 0.101 0.000 1.908 449 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 449 A C 2.160 179.808 177.584 0.107 0.000 1.181 449 A CA 1.769 53.857 52.037 0.086 0.000 0.627 449 A CB -0.870 18.179 19.000 0.081 0.000 0.818 449 A HN 0.780 nan 8.150 nan 0.000 0.445 450 Y N 0.901 121.214 120.300 0.021 0.000 2.352 450 Y HA -0.071 4.479 4.550 -0.001 0.000 0.292 450 Y C 1.669 177.580 175.900 0.019 0.000 1.136 450 Y CA 1.648 59.760 58.100 0.018 0.000 1.227 450 Y CB -0.009 38.462 38.460 0.018 0.000 0.991 450 Y HN 0.450 nan 8.280 nan 0.000 0.545 451 I N -3.974 116.643 120.570 0.078 0.000 4.082 451 I HA 0.516 4.686 4.170 -0.001 0.000 0.337 451 I C 1.180 177.292 176.117 -0.008 0.000 1.352 451 I CA 0.486 61.786 61.300 0.000 0.000 1.097 451 I CB 0.175 38.227 38.000 0.086 0.000 1.048 451 I HN 0.115 nan 8.210 nan 0.000 0.393 452 G N 2.343 111.144 108.800 0.000 0.000 2.165 452 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.226 452 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.226 452 G C -0.073 174.828 174.900 0.002 0.000 1.035 452 G CA 0.123 45.218 45.100 -0.008 0.000 0.744 452 G HN 0.916 nan 8.290 nan 0.000 0.501 453 V N -3.409 116.518 119.914 0.021 0.000 3.167 453 V HA 0.989 5.108 4.120 -0.001 0.000 0.310 453 V C 0.368 176.457 176.094 -0.007 0.000 1.207 453 V CA 0.077 62.374 62.300 -0.005 0.000 1.059 453 V CB 1.699 33.533 31.823 0.020 0.000 1.079 453 V HN 1.386 nan 8.190 nan 0.000 0.446 454 T N -1.953 112.562 114.554 -0.066 0.000 2.934 454 T HA 0.612 4.961 4.350 -0.001 0.000 0.283 454 T C -1.988 172.693 174.700 -0.032 0.000 1.005 454 T CA -1.706 60.366 62.100 -0.047 0.000 1.041 454 T CB 1.314 70.135 68.868 -0.078 0.000 1.042 454 T HN 0.606 nan 8.240 nan 0.000 0.505 455 P HA -0.001 nan 4.420 nan 0.000 0.225 455 P C 0.969 178.338 177.300 0.116 0.000 1.148 455 P CA 0.785 63.964 63.100 0.131 0.000 0.779 455 P CB 0.037 31.796 31.700 0.097 0.000 0.780 456 Q N -1.234 118.542 119.800 -0.041 0.000 2.408 456 Q HA 0.322 4.661 4.340 -0.001 0.000 0.205 456 Q C 1.112 176.930 176.000 -0.302 0.000 0.919 456 Q CA 0.592 56.355 55.803 -0.067 0.000 0.932 456 Q CB -0.260 28.447 28.738 -0.051 0.000 1.058 456 Q HN 0.141 nan 8.270 nan 0.000 0.517 457 G N 0.905 109.279 108.800 -0.710 0.000 2.796 457 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.571 457 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.571 457 G C -2.567 172.073 174.900 -0.435 0.000 1.370 457 G CA -0.926 43.509 45.100 -1.109 0.000 0.856 457 G HN 0.075 nan 8.290 nan 0.000 0.538 458 P HA 0.466 nan 4.420 nan 0.000 0.270 458 P C 0.311 177.383 177.300 -0.380 0.000 1.223 458 P CA -0.159 62.779 63.100 -0.270 0.000 0.785 458 P CB 0.149 31.828 31.700 -0.035 0.000 0.923 459 F N -0.735 119.241 119.950 0.044 0.000 2.717 459 F HA 0.202 4.729 4.527 -0.001 0.000 0.295 459 F C 1.175 176.929 175.800 -0.077 0.000 1.117 459 F CA 0.598 58.596 58.000 -0.003 0.000 1.361 459 F CB 0.199 39.205 39.000 0.011 0.000 1.112 459 F HN -0.013 nan 8.300 nan 0.000 0.594 460 K N 0.536 120.980 120.400 0.073 0.000 2.328 460 K HA 0.413 4.732 4.320 -0.001 0.000 0.246 460 K C 0.107 176.694 176.600 -0.022 0.000 0.955 460 K CA -0.480 55.742 56.287 -0.108 0.000 0.817 460 K CB 1.818 34.127 32.500 -0.317 0.000 1.208 460 K HN 0.010 nan 8.250 nan 0.000 0.432 461 S N -0.445 115.237 115.700 -0.031 0.000 2.584 461 S HA -0.020 4.449 4.470 -0.001 0.000 0.270 461 S C 1.248 175.870 174.600 0.036 0.000 1.346 461 S CA -0.065 58.145 58.200 0.017 0.000 1.018 461 S CB 0.921 64.146 63.200 0.042 0.000 0.899 461 S HN 0.703 nan 8.310 nan 0.000 0.542 462 E N 0.611 120.786 120.200 -0.041 0.000 2.114 462 E HA -0.260 4.089 4.350 -0.001 0.000 0.199 462 E C 0.656 177.132 176.600 -0.207 0.000 1.008 462 E CA 1.541 57.833 56.400 -0.180 0.000 0.810 462 E CB -0.150 29.319 29.700 -0.385 0.000 0.739 462 E HN 0.822 nan 8.360 nan 0.000 0.456 463 H N -1.480 117.668 119.070 0.130 0.000 2.528 463 H HA 0.034 4.589 4.556 -0.001 0.000 0.282 463 H C -0.625 174.773 175.328 0.116 0.000 1.097 463 H CA -0.351 55.769 56.048 0.119 0.000 1.121 463 H CB -0.439 29.368 29.762 0.075 0.000 1.590 463 H HN 0.173 nan 8.280 nan 0.000 0.553 464 Y N 2.356 122.680 120.300 0.040 0.000 2.903 464 Y HA -0.157 4.392 4.550 -0.001 0.000 0.338 464 Y C 1.319 177.168 175.900 -0.084 0.000 1.265 464 Y CA 0.723 58.755 58.100 -0.114 0.000 1.532 464 Y CB 0.567 38.829 38.460 -0.330 0.000 1.293 464 Y HN 0.029 nan 8.280 nan 0.000 0.609 465 R N 3.470 123.580 120.500 -0.649 0.000 2.290 465 R HA 0.082 4.422 4.340 -0.001 0.000 0.197 465 R C -0.609 175.589 176.300 -0.171 0.000 0.913 465 R CA 0.104 56.040 56.100 -0.273 0.000 1.040 465 R CB -0.021 30.162 30.300 -0.197 0.000 0.992 465 R HN 0.802 nan 8.270 nan 0.000 0.500 466 Y N 0.000 119.917 120.300 -0.639 0.000 2.660 466 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 466 Y CA 0.000 57.991 58.100 -0.181 0.000 1.940 466 Y CB 0.000 38.514 38.460 0.091 0.000 1.050 466 Y HN 0.000 nan 8.280 nan 0.000 0.758