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 2xln_1_A DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.427 176.300 0.212 0.000 0.893 1 R CA 0.000 56.179 56.100 0.131 0.000 0.921 1 R CB 0.000 30.369 30.300 0.114 0.000 0.687 2 L N 0.361 121.679 121.223 0.157 0.000 2.162 2 L HA 0.038 4.376 4.340 -0.004 0.000 0.205 2 L C 1.499 178.390 176.870 0.035 0.000 1.086 2 L CA 1.579 56.471 54.840 0.085 0.000 0.778 2 L CB 0.101 42.202 42.059 0.071 0.000 0.928 2 L HN 0.144 nan 8.230 nan 0.000 0.446 3 T N -1.039 113.543 114.554 0.047 0.000 2.720 3 T HA -0.288 4.060 4.350 -0.004 0.000 0.268 3 T C 1.627 176.346 174.700 0.032 0.000 1.037 3 T CA 1.677 63.799 62.100 0.037 0.000 1.144 3 T CB -0.220 68.668 68.868 0.033 0.000 0.864 3 T HN 0.389 nan 8.240 nan 0.000 0.444 4 E N 0.436 120.658 120.200 0.037 0.000 2.150 4 E HA -0.116 4.232 4.350 -0.004 0.000 0.193 4 E C 2.147 178.752 176.600 0.009 0.000 0.985 4 E CA 0.691 57.108 56.400 0.029 0.000 0.814 4 E CB -0.136 29.590 29.700 0.044 0.000 0.752 4 E HN 0.357 nan 8.360 nan 0.000 0.466 5 L N 1.219 122.437 121.223 -0.009 0.000 2.056 5 L HA -0.124 4.214 4.340 -0.004 0.000 0.207 5 L C 2.303 179.117 176.870 -0.094 0.000 1.078 5 L CA 1.550 56.336 54.840 -0.090 0.000 0.749 5 L CB -0.198 41.711 42.059 -0.251 0.000 0.901 5 L HN -0.023 nan 8.230 nan 0.000 0.433 6 R N -0.314 120.181 120.500 -0.008 0.000 2.075 6 R HA -0.140 4.197 4.340 -0.004 0.000 0.232 6 R C 2.117 178.468 176.300 0.086 0.000 1.126 6 R CA 1.701 57.872 56.100 0.117 0.000 0.963 6 R CB -0.463 29.945 30.300 0.180 0.000 0.858 6 R HN 0.537 nan 8.270 nan 0.000 0.435 7 E N 0.594 120.817 120.200 0.039 0.000 2.072 7 E HA -0.162 4.186 4.350 -0.004 0.000 0.191 7 E C 1.508 178.103 176.600 -0.009 0.000 0.985 7 E CA 1.138 57.553 56.400 0.025 0.000 0.801 7 E CB 0.006 29.716 29.700 0.017 0.000 0.750 7 E HN 0.272 nan 8.360 nan 0.000 0.452 8 D N 0.589 120.966 120.400 -0.038 0.000 2.117 8 D HA -0.122 4.516 4.640 -0.004 0.000 0.197 8 D C 1.968 178.205 176.300 -0.106 0.000 0.987 8 D CA 0.896 54.858 54.000 -0.062 0.000 0.829 8 D CB -0.118 40.643 40.800 -0.065 0.000 0.961 8 D HN 0.190 nan 8.370 nan 0.000 0.460 9 I N 0.981 121.441 120.570 -0.184 0.000 2.252 9 I HA -0.210 3.958 4.170 -0.004 0.000 0.245 9 I C 1.873 177.887 176.117 -0.172 0.000 1.102 9 I CA 0.831 61.949 61.300 -0.303 0.000 1.385 9 I CB -0.130 37.437 38.000 -0.722 0.000 1.064 9 I HN -0.154 nan 8.210 nan 0.000 0.414 10 D N 1.305 121.680 120.400 -0.041 0.000 2.133 10 D HA -0.218 4.420 4.640 -0.004 0.000 0.192 10 D C 2.231 178.539 176.300 0.013 0.000 1.001 10 D CA 1.864 55.901 54.000 0.061 0.000 0.844 10 D CB -0.167 40.687 40.800 0.091 0.000 0.944 10 D HN 0.378 nan 8.370 nan 0.000 0.447 11 A N 0.137 122.950 122.820 -0.012 0.000 1.968 11 A HA -0.066 4.251 4.320 -0.004 0.000 0.217 11 A C 2.382 179.949 177.584 -0.028 0.000 1.169 11 A CA 0.613 52.641 52.037 -0.016 0.000 0.638 11 A CB -0.529 18.461 19.000 -0.018 0.000 0.812 11 A HN 0.210 nan 8.150 nan 0.000 0.446 12 I N -0.339 120.200 120.570 -0.051 0.000 2.252 12 I HA -0.221 3.946 4.170 -0.004 0.000 0.245 12 I C 1.904 177.994 176.117 -0.046 0.000 1.102 12 I CA 1.020 62.284 61.300 -0.059 0.000 1.385 12 I CB -0.238 37.706 38.000 -0.092 0.000 1.064 12 I HN 0.237 nan 8.210 nan 0.000 0.414 13 L N 0.503 121.704 121.223 -0.036 0.000 2.622 13 L HA -0.085 4.253 4.340 -0.004 0.000 0.233 13 L C 1.541 178.411 176.870 0.000 0.000 1.156 13 L CA 0.421 55.254 54.840 -0.011 0.000 0.866 13 L CB -0.383 41.688 42.059 0.019 0.000 0.980 13 L HN 0.203 nan 8.230 nan 0.000 0.448 14 E N -0.234 119.964 120.200 -0.004 0.000 2.463 14 E HA 0.006 4.354 4.350 -0.004 0.000 0.191 14 E C -0.102 176.495 176.600 -0.004 0.000 1.083 14 E CA 0.098 56.498 56.400 0.001 0.000 0.872 14 E CB -0.369 29.331 29.700 0.001 0.000 0.966 14 E HN 0.312 nan 8.360 nan 0.000 0.491 15 D N 1.072 121.465 120.400 -0.012 0.000 2.458 15 D HA 0.002 4.640 4.640 -0.004 0.000 0.243 15 D C -1.506 174.789 176.300 -0.008 0.000 1.146 15 D CA -1.533 52.457 54.000 -0.015 0.000 0.877 15 D CB 1.204 41.987 40.800 -0.028 0.000 1.176 15 D HN -0.131 nan 8.370 nan 0.000 0.461 16 P HA -0.082 nan 4.420 nan 0.000 0.223 16 P C 0.484 177.786 177.300 0.005 0.000 1.144 16 P CA 0.752 63.853 63.100 0.001 0.000 0.783 16 P CB 0.211 31.911 31.700 0.000 0.000 0.771 17 A N -1.163 121.653 122.820 -0.005 0.000 2.206 17 A HA 0.019 4.337 4.320 -0.004 0.000 0.211 17 A C 1.727 179.310 177.584 -0.001 0.000 1.158 17 A CA 0.774 52.808 52.037 -0.006 0.000 0.761 17 A CB -1.058 17.922 19.000 -0.034 0.000 0.801 17 A HN 0.187 nan 8.150 nan 0.000 0.473 18 L N -0.471 120.753 121.223 0.001 0.000 2.728 18 L HA 0.162 4.499 4.340 -0.004 0.000 0.238 18 L C 0.387 177.279 176.870 0.036 0.000 1.143 18 L CA -0.217 54.633 54.840 0.017 0.000 0.937 18 L CB 0.214 42.273 42.059 -0.002 0.000 1.225 18 L HN 0.281 nan 8.230 nan 0.000 0.507 19 E N 0.852 121.072 120.200 0.033 0.000 2.366 19 E HA 0.115 4.463 4.350 -0.004 0.000 0.266 19 E C 1.046 177.670 176.600 0.040 0.000 1.015 19 E CA 0.967 57.386 56.400 0.031 0.000 0.906 19 E CB 0.873 30.587 29.700 0.023 0.000 0.979 19 E HN 0.394 nan 8.360 nan 0.000 0.443 20 G N 2.965 111.786 108.800 0.034 0.000 2.253 20 G HA2 -0.337 3.621 3.960 -0.004 0.000 0.251 20 G HA3 -0.337 3.621 3.960 -0.004 0.000 0.251 20 G C 0.448 175.372 174.900 0.042 0.000 0.998 20 G CA 0.213 45.333 45.100 0.033 0.000 0.621 20 G HN 0.807 nan 8.290 nan 0.000 0.524 21 A N -0.243 122.614 122.820 0.062 0.000 2.332 21 A HA 0.713 5.031 4.320 -0.004 0.000 0.258 21 A C 0.345 177.966 177.584 0.062 0.000 1.087 21 A CA 0.479 52.567 52.037 0.085 0.000 0.802 21 A CB 1.090 20.176 19.000 0.143 0.000 1.042 21 A HN 1.188 nan 8.150 nan 0.000 0.489 22 V N 1.318 121.271 119.914 0.064 0.000 2.459 22 V HA 0.573 4.691 4.120 -0.004 0.000 0.295 22 V C -0.013 176.118 176.094 0.062 0.000 1.029 22 V CA -0.308 62.023 62.300 0.052 0.000 0.874 22 V CB 1.565 33.411 31.823 0.039 0.000 0.985 22 V HN 0.844 nan 8.190 nan 0.000 0.438 23 S N 2.471 118.204 115.700 0.055 0.000 2.594 23 S HA 0.662 5.130 4.470 -0.004 0.000 0.296 23 S C 0.141 174.779 174.600 0.064 0.000 1.124 23 S CA -0.585 57.650 58.200 0.059 0.000 1.011 23 S CB 1.821 65.052 63.200 0.053 0.000 1.016 23 S HN 1.078 nan 8.310 nan 0.000 0.485 24 G N 1.546 110.386 108.800 0.066 0.000 2.329 24 G HA2 0.561 4.519 3.960 -0.004 0.000 0.309 24 G HA3 0.561 4.519 3.960 -0.004 0.000 0.309 24 G C -0.919 174.040 174.900 0.097 0.000 1.110 24 G CA -0.435 44.709 45.100 0.072 0.000 0.923 24 G HN 0.590 nan 8.290 nan 0.000 0.430 25 V N 3.347 123.341 119.914 0.134 0.000 2.443 25 V HA 0.448 4.566 4.120 -0.004 0.000 0.293 25 V C -0.474 175.763 176.094 0.238 0.000 1.021 25 V CA -0.645 61.771 62.300 0.194 0.000 0.848 25 V CB 1.663 33.628 31.823 0.236 0.000 0.998 25 V HN 0.531 nan 8.190 nan 0.000 0.424 26 V N 5.617 125.650 119.914 0.198 0.000 2.577 26 V HA 0.581 4.698 4.120 -0.004 0.000 0.303 26 V C -0.519 175.692 176.094 0.195 0.000 1.042 26 V CA -0.592 61.812 62.300 0.174 0.000 0.872 26 V CB 2.243 34.128 31.823 0.103 0.000 0.998 26 V HN 0.582 nan 8.190 nan 0.000 0.423 27 V N 5.393 125.425 119.914 0.197 0.000 2.487 27 V HA 0.661 4.779 4.120 -0.004 0.000 0.298 27 V C -0.441 175.729 176.094 0.127 0.000 1.028 27 V CA -0.593 61.810 62.300 0.171 0.000 0.860 27 V CB 1.963 33.855 31.823 0.114 0.000 0.991 27 V HN 0.584 nan 8.190 nan 0.000 0.427 28 V N 2.691 122.681 119.914 0.127 0.000 2.789 28 V HA 0.439 4.557 4.120 -0.004 0.000 0.311 28 V C -0.728 175.440 176.094 0.125 0.000 1.073 28 V CA -0.639 61.724 62.300 0.106 0.000 0.921 28 V CB 2.373 34.249 31.823 0.088 0.000 1.009 28 V HN 0.906 nan 8.190 nan 0.000 0.426 29 D N 2.405 122.874 120.400 0.114 0.000 2.336 29 D HA 0.156 4.794 4.640 -0.004 0.000 0.249 29 D C 1.090 177.455 176.300 0.108 0.000 1.213 29 D CA 0.311 54.386 54.000 0.124 0.000 0.870 29 D CB 1.784 42.655 40.800 0.118 0.000 1.076 29 D HN 0.578 nan 8.370 nan 0.000 0.483 30 T N 2.505 117.135 114.554 0.126 0.000 2.915 30 T HA -0.052 4.296 4.350 -0.004 0.000 0.269 30 T C 1.662 176.407 174.700 0.076 0.000 1.071 30 T CA 1.275 63.443 62.100 0.112 0.000 1.132 30 T CB 0.157 69.120 68.868 0.159 0.000 0.878 30 T HN 0.543 nan 8.240 nan 0.000 0.479 31 A N 1.331 124.194 122.820 0.072 0.000 1.872 31 A HA -0.021 4.297 4.320 -0.004 0.000 0.214 31 A C 2.115 179.723 177.584 0.041 0.000 1.187 31 A CA 1.779 53.846 52.037 0.049 0.000 0.614 31 A CB -0.469 18.559 19.000 0.047 0.000 0.826 31 A HN 0.550 nan 8.150 nan 0.000 0.442 32 T N -5.048 109.536 114.554 0.049 0.000 3.331 32 T HA 0.474 4.821 4.350 -0.004 0.000 0.282 32 T C 1.145 175.871 174.700 0.044 0.000 1.010 32 T CA 0.831 62.956 62.100 0.041 0.000 0.928 32 T CB 0.107 68.999 68.868 0.041 0.000 1.154 32 T HN 1.626 nan 8.240 nan 0.000 0.516 33 G N 1.658 110.486 108.800 0.048 0.000 2.249 33 G HA2 -0.345 3.613 3.960 -0.004 0.000 0.269 33 G HA3 -0.345 3.613 3.960 -0.004 0.000 0.269 33 G C 0.017 174.947 174.900 0.049 0.000 0.979 33 G CA 0.577 45.705 45.100 0.045 0.000 0.644 33 G HN 0.732 nan 8.290 nan 0.000 0.546 34 E N 1.283 121.516 120.200 0.055 0.000 2.328 34 E HA 0.199 4.547 4.350 -0.004 0.000 0.265 34 E C 0.372 177.006 176.600 0.058 0.000 1.057 34 E CA -0.197 56.235 56.400 0.054 0.000 0.916 34 E CB 0.179 29.916 29.700 0.062 0.000 0.993 34 E HN 0.509 nan 8.360 nan 0.000 0.446 35 E N 5.076 125.303 120.200 0.044 0.000 2.159 35 E HA -0.011 4.336 4.350 -0.004 0.000 0.272 35 E C 0.519 177.142 176.600 0.038 0.000 1.138 35 E CA -0.141 56.284 56.400 0.042 0.000 0.915 35 E CB 0.446 30.160 29.700 0.024 0.000 1.028 35 E HN 0.624 nan 8.360 nan 0.000 0.423 36 L N 4.730 125.985 121.223 0.052 0.000 2.249 36 L HA 0.122 4.460 4.340 -0.004 0.000 0.207 36 L C 0.313 177.239 176.870 0.094 0.000 1.090 36 L CA 0.340 55.201 54.840 0.035 0.000 0.802 36 L CB 0.169 42.214 42.059 -0.022 0.000 0.947 36 L HN 0.546 nan 8.230 nan 0.000 0.453 37 Y N -0.917 119.358 120.300 -0.041 0.000 2.479 37 Y HA 0.487 5.035 4.550 -0.004 0.000 0.338 37 Y C -0.929 174.966 175.900 -0.008 0.000 1.055 37 Y CA -0.750 57.329 58.100 -0.035 0.000 1.023 37 Y CB 2.096 40.524 38.460 -0.054 0.000 1.287 37 Y HN -0.287 nan 8.280 nan 0.000 0.447 38 S N 5.388 120.820 115.700 -0.446 0.000 2.720 38 S HA 0.617 5.085 4.470 -0.004 0.000 0.278 38 S C -1.770 172.609 174.600 -0.367 0.000 1.172 38 S CA -0.626 57.422 58.200 -0.253 0.000 1.019 38 S CB 0.731 63.853 63.200 -0.131 0.000 1.049 38 S HN 0.740 nan 8.310 nan 0.000 0.483 39 R N 3.338 123.739 120.500 -0.166 0.000 2.518 39 R HA 0.363 4.701 4.340 -0.004 0.000 0.296 39 R C -1.121 175.178 176.300 -0.002 0.000 1.080 39 R CA -0.246 55.800 56.100 -0.090 0.000 0.922 39 R CB 0.476 30.775 30.300 -0.001 0.000 1.184 39 R HN 0.675 nan 8.270 nan 0.000 0.445 40 D N 3.231 123.623 120.400 -0.013 0.000 2.689 40 D HA -0.165 4.473 4.640 -0.004 0.000 0.237 40 D C 0.820 177.130 176.300 0.017 0.000 1.148 40 D CA 1.364 55.368 54.000 0.006 0.000 0.656 40 D CB -0.766 40.045 40.800 0.020 0.000 1.050 40 D HN 0.914 nan 8.370 nan 0.000 0.426 41 G N 0.276 109.081 108.800 0.009 0.000 2.422 41 G HA2 -0.042 3.916 3.960 -0.004 0.000 0.218 41 G HA3 -0.042 3.916 3.960 -0.004 0.000 0.218 41 G C 1.434 176.350 174.900 0.026 0.000 1.140 41 G CA 0.806 45.919 45.100 0.023 0.000 0.775 41 G HN 0.479 nan 8.290 nan 0.000 0.545 42 G N -0.404 108.406 108.800 0.016 0.000 3.371 42 G HA2 0.331 4.289 3.960 -0.004 0.000 0.248 42 G HA3 0.331 4.289 3.960 -0.004 0.000 0.248 42 G C 0.071 174.979 174.900 0.014 0.000 1.161 42 G CA -0.281 44.829 45.100 0.016 0.000 0.796 42 G HN 0.342 nan 8.290 nan 0.000 0.539 43 E N 1.072 121.282 120.200 0.018 0.000 2.223 43 E HA 0.220 4.568 4.350 -0.004 0.000 0.282 43 E C 0.327 176.938 176.600 0.018 0.000 1.046 43 E CA -0.167 56.243 56.400 0.016 0.000 0.857 43 E CB 0.373 30.085 29.700 0.020 0.000 1.055 43 E HN 0.262 nan 8.360 nan 0.000 0.409 44 Q N 3.680 123.486 119.800 0.010 0.000 2.286 44 Q HA 0.305 4.643 4.340 -0.004 0.000 0.267 44 Q C -0.567 175.439 176.000 0.009 0.000 1.028 44 Q CA 0.182 55.989 55.803 0.005 0.000 0.901 44 Q CB 0.620 29.356 28.738 -0.003 0.000 1.183 44 Q HN 0.475 nan 8.270 nan 0.000 0.392 45 L N 1.657 122.887 121.223 0.012 0.000 2.376 45 L HA 0.434 4.772 4.340 -0.004 0.000 0.258 45 L C -0.632 176.245 176.870 0.012 0.000 1.013 45 L CA -1.125 53.725 54.840 0.017 0.000 0.822 45 L CB 1.541 43.618 42.059 0.031 0.000 1.388 45 L HN 0.391 nan 8.230 nan 0.000 0.413 46 L N 3.329 124.558 121.223 0.009 0.000 2.513 46 L HA 0.096 4.433 4.340 -0.004 0.000 0.272 46 L C -1.431 175.448 176.870 0.015 0.000 1.187 46 L CA -0.643 54.199 54.840 0.002 0.000 0.895 46 L CB 0.632 42.684 42.059 -0.012 0.000 1.147 46 L HN 0.433 nan 8.230 nan 0.000 0.483 47 P HA 0.028 nan 4.420 nan 0.000 0.239 47 P C 0.839 178.153 177.300 0.023 0.000 1.188 47 P CA 0.894 64.022 63.100 0.046 0.000 0.794 47 P CB 0.641 32.395 31.700 0.090 0.000 0.937 48 A N 0.646 123.464 122.820 -0.004 0.000 5.395 48 A HA -0.323 3.995 4.320 -0.004 0.000 0.324 48 A C 1.971 179.552 177.584 -0.005 0.000 1.813 48 A CA 2.215 54.232 52.037 -0.034 0.000 0.714 48 A CB -2.410 16.552 19.000 -0.064 0.000 1.374 48 A HN 0.195 nan 8.150 nan 0.000 0.390 49 S N 0.658 116.342 115.700 -0.027 0.000 2.555 49 S HA -0.063 4.405 4.470 -0.004 0.000 0.230 49 S C 1.408 176.008 174.600 -0.000 0.000 0.978 49 S CA 1.137 59.329 58.200 -0.014 0.000 0.934 49 S CB -0.667 62.501 63.200 -0.054 0.000 0.766 49 S HN 0.615 nan 8.310 nan 0.000 0.533 50 N N 1.458 120.167 118.700 0.014 0.000 2.443 50 N HA -0.034 4.704 4.740 -0.004 0.000 0.184 50 N C 1.375 176.991 175.510 0.177 0.000 1.037 50 N CA 0.543 53.619 53.050 0.044 0.000 0.896 50 N CB -0.318 38.199 38.487 0.050 0.000 0.959 50 N HN 0.277 nan 8.380 nan 0.000 0.442 51 M N 0.809 120.534 119.600 0.208 0.000 2.358 51 M HA -0.054 4.424 4.480 -0.004 0.000 0.264 51 M C 1.339 177.836 176.300 0.328 0.000 1.064 51 M CA 1.406 56.896 55.300 0.317 0.000 1.093 51 M CB -0.017 32.695 32.600 0.186 0.000 1.401 51 M HN -0.065 nan 8.290 nan 0.000 0.440 52 K N -0.559 119.963 120.400 0.203 0.000 2.211 52 K HA -0.081 4.237 4.320 -0.004 0.000 0.203 52 K C 1.781 178.470 176.600 0.149 0.000 1.050 52 K CA 1.089 57.488 56.287 0.187 0.000 0.945 52 K CB -0.299 32.196 32.500 -0.007 0.000 0.732 52 K HN 0.381 nan 8.250 nan 0.000 0.451 53 L N -0.214 121.052 121.223 0.071 0.000 2.012 53 L HA -0.221 4.117 4.340 -0.004 0.000 0.210 53 L C 2.132 179.094 176.870 0.154 0.000 1.073 53 L CA 1.569 56.447 54.840 0.064 0.000 0.748 53 L CB -0.523 41.454 42.059 -0.137 0.000 0.891 53 L HN 0.113 nan 8.230 nan 0.000 0.431 54 F N -0.391 119.689 119.950 0.216 0.000 2.113 54 F HA -0.200 4.325 4.527 -0.002 0.000 0.297 54 F C 2.707 178.605 175.800 0.165 0.000 1.103 54 F CA 1.611 59.711 58.000 0.167 0.000 1.248 54 F CB -1.225 37.844 39.000 0.115 0.000 0.999 54 F HN -0.028 nan 8.300 nan 0.000 0.475 55 T N 0.074 114.853 114.554 0.375 0.000 2.684 55 T HA -0.245 4.102 4.350 -0.004 0.000 0.267 55 T C 2.263 177.130 174.700 0.277 0.000 1.036 55 T CA 1.510 63.792 62.100 0.303 0.000 1.148 55 T CB -0.714 68.364 68.868 0.350 0.000 0.863 55 T HN 0.321 nan 8.240 nan 0.000 0.436 56 A N 1.298 124.332 122.820 0.357 0.000 1.898 56 A HA 0.230 4.547 4.320 -0.004 0.000 0.216 56 A C 2.654 180.311 177.584 0.122 0.000 1.181 56 A CA 1.742 53.990 52.037 0.352 0.000 0.620 56 A CB -1.091 18.142 19.000 0.388 0.000 0.819 56 A HN 0.505 nan 8.150 nan 0.000 0.442 57 A N -0.025 122.859 122.820 0.108 0.000 1.902 57 A HA 0.135 4.452 4.320 -0.004 0.000 0.217 57 A C 2.500 179.929 177.584 -0.258 0.000 1.181 57 A CA 2.161 54.023 52.037 -0.293 0.000 0.623 57 A CB -1.013 17.882 19.000 -0.174 0.000 0.818 57 A HN 1.053 nan 8.150 nan 0.000 0.443 58 A N -0.269 122.535 122.820 -0.028 0.000 1.930 58 A HA 0.198 4.515 4.320 -0.004 0.000 0.217 58 A C 2.486 180.038 177.584 -0.054 0.000 1.175 58 A CA 1.962 54.001 52.037 0.003 0.000 0.627 58 A CB -0.948 18.097 19.000 0.074 0.000 0.815 58 A HN 1.037 nan 8.150 nan 0.000 0.443 59 A N -0.136 122.652 122.820 -0.053 0.000 1.902 59 A HA -0.053 4.265 4.320 -0.004 0.000 0.217 59 A C 2.152 179.639 177.584 -0.163 0.000 1.181 59 A CA 1.506 53.505 52.037 -0.065 0.000 0.623 59 A CB -0.603 18.402 19.000 0.009 0.000 0.818 59 A HN 0.472 nan 8.150 nan 0.000 0.443 60 L N -0.823 120.193 121.223 -0.346 0.000 2.093 60 L HA -0.154 4.184 4.340 -0.004 0.000 0.208 60 L C 2.712 179.334 176.870 -0.414 0.000 1.085 60 L CA 1.166 55.660 54.840 -0.577 0.000 0.755 60 L CB -0.479 40.778 42.059 -1.336 0.000 0.904 60 L HN 0.377 nan 8.230 nan 0.000 0.435 61 E N -0.132 119.909 120.200 -0.266 0.000 2.028 61 E HA -0.144 4.203 4.350 -0.004 0.000 0.191 61 E C 2.319 178.936 176.600 0.029 0.000 0.988 61 E CA 1.201 57.636 56.400 0.058 0.000 0.799 61 E CB -0.127 29.658 29.700 0.143 0.000 0.755 61 E HN 0.268 nan 8.360 nan 0.000 0.447 62 V N 1.331 121.232 119.914 -0.022 0.000 2.255 62 V HA -0.197 3.921 4.120 -0.004 0.000 0.243 62 V C 2.488 178.548 176.094 -0.058 0.000 1.038 62 V CA 1.373 63.659 62.300 -0.024 0.000 1.008 62 V CB -0.425 31.379 31.823 -0.031 0.000 0.645 62 V HN 0.164 nan 8.190 nan 0.000 0.449 63 L N -0.390 120.759 121.223 -0.123 0.000 2.209 63 L HA 0.426 4.764 4.340 -0.004 0.000 0.207 63 L C 1.147 177.971 176.870 -0.076 0.000 1.094 63 L CA 0.841 55.539 54.840 -0.237 0.000 0.790 63 L CB -0.650 41.125 42.059 -0.474 0.000 0.932 63 L HN 0.555 nan 8.230 nan 0.000 0.447 64 G N -0.900 107.876 108.800 -0.041 0.000 2.692 64 G HA2 -0.064 3.894 3.960 -0.004 0.000 0.686 64 G HA3 -0.064 3.894 3.960 -0.004 0.000 0.686 64 G C 0.418 175.340 174.900 0.036 0.000 1.243 64 G CA -0.359 44.758 45.100 0.029 0.000 0.782 64 G HN 0.176 nan 8.290 nan 0.000 0.625 65 A N 0.164 123.025 122.820 0.068 0.000 2.067 65 A HA 0.134 4.452 4.320 -0.004 0.000 0.219 65 A C 1.958 179.587 177.584 0.074 0.000 1.158 65 A CA 2.325 54.412 52.037 0.083 0.000 0.661 65 A CB -0.276 18.808 19.000 0.139 0.000 0.801 65 A HN 1.327 nan 8.150 nan 0.000 0.452 66 D N -1.706 118.731 120.400 0.062 0.000 2.339 66 D HA 0.016 4.654 4.640 -0.004 0.000 0.217 66 D C 0.559 176.846 176.300 -0.021 0.000 1.050 66 D CA -0.204 53.810 54.000 0.024 0.000 0.856 66 D CB -0.985 39.825 40.800 0.018 0.000 0.922 66 D HN 0.564 nan 8.370 nan 0.000 0.518 67 H N 0.990 119.992 119.070 -0.113 0.000 2.928 67 H HA 0.281 4.835 4.556 -0.003 0.000 0.338 67 H C 0.145 175.263 175.328 -0.349 0.000 1.047 67 H CA 0.360 56.266 56.048 -0.236 0.000 1.435 67 H CB 0.587 30.191 29.762 -0.264 0.000 1.428 67 H HN 0.080 nan 8.280 nan 0.000 0.590 68 S N 3.668 118.864 115.700 -0.841 0.000 2.671 68 S HA 0.612 5.080 4.470 -0.004 0.000 0.299 68 S C -1.209 172.807 174.600 -0.974 0.000 1.116 68 S CA -0.965 56.837 58.200 -0.663 0.000 0.912 68 S CB 1.416 64.402 63.200 -0.356 0.000 1.130 68 S HN 0.403 nan 8.310 nan 0.000 0.501 69 F N -0.005 119.814 119.950 -0.218 0.000 2.522 69 F HA 0.746 5.271 4.527 -0.004 0.000 0.324 69 F C 0.891 176.554 175.800 -0.229 0.000 1.077 69 F CA -0.475 57.409 58.000 -0.193 0.000 0.944 69 F CB 2.183 41.117 39.000 -0.109 0.000 1.175 69 F HN 0.956 nan 8.300 nan 0.000 0.468 70 G N 0.426 109.165 108.800 -0.102 0.000 2.420 70 G HA2 0.641 4.599 3.960 -0.004 0.000 0.331 70 G HA3 0.641 4.599 3.960 -0.004 0.000 0.331 70 G C -1.354 173.444 174.900 -0.170 0.000 1.168 70 G CA -0.612 44.387 45.100 -0.169 0.000 0.936 70 G HN 0.539 nan 8.290 nan 0.000 0.479 71 T N 0.768 115.253 114.554 -0.115 0.000 2.893 71 T HA 0.628 4.976 4.350 -0.004 0.000 0.293 71 T C -0.617 174.021 174.700 -0.103 0.000 1.027 71 T CA -0.703 61.323 62.100 -0.122 0.000 0.988 71 T CB 2.044 70.862 68.868 -0.083 0.000 1.043 71 T HN 0.801 nan 8.240 nan 0.000 0.461 72 E N 0.421 120.548 120.200 -0.121 0.000 2.429 72 E HA 0.726 5.074 4.350 -0.004 0.000 0.276 72 E C -1.729 174.826 176.600 -0.075 0.000 0.953 72 E CA -1.112 55.239 56.400 -0.080 0.000 0.787 72 E CB 1.723 31.385 29.700 -0.063 0.000 1.307 72 E HN 0.281 nan 8.360 nan 0.000 0.458 73 V N 0.444 120.349 119.914 -0.015 0.000 2.448 73 V HA 0.731 4.848 4.120 -0.004 0.000 0.295 73 V C -0.586 175.587 176.094 0.132 0.000 1.025 73 V CA -0.422 61.908 62.300 0.050 0.000 0.859 73 V CB 1.052 32.939 31.823 0.106 0.000 0.988 73 V HN 0.836 nan 8.190 nan 0.000 0.431 74 A N 3.873 126.825 122.820 0.220 0.000 2.371 74 A HA 1.000 5.318 4.320 -0.004 0.000 0.311 74 A C -0.273 177.595 177.584 0.473 0.000 1.068 74 A CA -0.204 52.011 52.037 0.298 0.000 0.744 74 A CB 1.772 20.945 19.000 0.288 0.000 1.239 74 A HN 1.310 nan 8.150 nan 0.000 0.435 75 A N 0.586 123.605 122.820 0.333 0.000 2.387 75 A HA 0.710 5.027 4.320 -0.004 0.000 0.303 75 A C 0.643 178.066 177.584 -0.268 0.000 1.145 75 A CA -0.138 52.024 52.037 0.207 0.000 0.801 75 A CB 0.989 20.045 19.000 0.094 0.000 1.342 75 A HN 0.913 nan 8.150 nan 0.000 0.440 76 E N -0.339 119.304 120.200 -0.929 0.000 2.208 76 E HA -0.021 4.327 4.350 -0.004 0.000 0.193 76 E C 0.517 176.789 176.600 -0.547 0.000 0.988 76 E CA 1.186 56.787 56.400 -1.331 0.000 0.828 76 E CB 0.100 28.837 29.700 -1.604 0.000 0.763 76 E HN 0.724 nan 8.360 nan 0.000 0.478 77 S N -1.464 114.042 115.700 -0.323 0.000 2.638 77 S HA 0.695 5.162 4.470 -0.004 0.000 0.274 77 S C -0.484 174.057 174.600 -0.098 0.000 1.157 77 S CA -0.655 57.441 58.200 -0.173 0.000 0.826 77 S CB 1.547 64.658 63.200 -0.148 0.000 1.139 77 S HN 0.146 nan 8.310 nan 0.000 0.474 78 A N 1.808 124.592 122.820 -0.060 0.000 2.406 78 A HA 0.659 4.977 4.320 -0.004 0.000 0.243 78 A C -2.134 175.433 177.584 -0.028 0.000 1.082 78 A CA -1.155 50.863 52.037 -0.030 0.000 0.786 78 A CB -0.977 18.010 19.000 -0.022 0.000 1.029 78 A HN 0.748 nan 8.150 nan 0.000 0.495 79 P HA 0.271 nan 4.420 nan 0.000 0.272 79 P C 0.393 177.685 177.300 -0.014 0.000 1.223 79 P CA 0.298 63.391 63.100 -0.011 0.000 0.784 79 P CB 0.819 32.518 31.700 -0.003 0.000 0.923 80 G N 1.575 110.367 108.800 -0.014 0.000 2.849 80 G HA2 0.227 4.185 3.960 -0.004 0.000 0.174 80 G HA3 0.227 4.185 3.960 -0.004 0.000 0.174 80 G C 1.074 175.968 174.900 -0.010 0.000 1.370 80 G CA -0.382 44.710 45.100 -0.013 0.000 1.040 80 G HN 0.524 nan 8.290 nan 0.000 0.582 81 R N -0.525 119.969 120.500 -0.009 0.000 2.096 81 R HA 0.051 4.389 4.340 -0.004 0.000 0.235 81 R C 2.142 178.438 176.300 -0.007 0.000 1.127 81 R CA 1.337 57.433 56.100 -0.008 0.000 0.968 81 R CB -0.301 29.994 30.300 -0.007 0.000 0.861 81 R HN 0.342 nan 8.270 nan 0.000 0.440 82 R N 0.275 120.770 120.500 -0.008 0.000 2.235 82 R HA 0.043 4.381 4.340 -0.004 0.000 0.213 82 R C 0.640 176.935 176.300 -0.008 0.000 1.059 82 R CA 0.725 56.821 56.100 -0.007 0.000 0.997 82 R CB -0.006 30.290 30.300 -0.007 0.000 0.884 82 R HN 0.639 nan 8.270 nan 0.000 0.462 83 G N 1.876 110.672 108.800 -0.007 0.000 2.225 83 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.264 83 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.264 83 G C -0.518 174.378 174.900 -0.005 0.000 1.060 83 G CA 0.091 45.187 45.100 -0.007 0.000 0.833 83 G HN 0.376 nan 8.290 nan 0.000 0.498 84 E N -0.793 119.404 120.200 -0.006 0.000 2.171 84 E HA 0.603 4.951 4.350 -0.004 0.000 0.271 84 E C 0.359 176.958 176.600 -0.002 0.000 0.916 84 E CA -0.657 55.741 56.400 -0.003 0.000 0.774 84 E CB 2.518 32.216 29.700 -0.004 0.000 1.128 84 E HN 0.684 nan 8.360 nan 0.000 0.403 85 V N 0.409 120.328 119.914 0.008 0.000 3.001 85 V HA 0.434 4.552 4.120 -0.004 0.000 0.314 85 V C 0.112 176.226 176.094 0.034 0.000 1.099 85 V CA -0.776 61.534 62.300 0.016 0.000 0.989 85 V CB 1.890 33.735 31.823 0.036 0.000 1.040 85 V HN 0.609 nan 8.190 nan 0.000 0.434 86 Q N 0.959 120.789 119.800 0.050 0.000 1.956 86 Q HA 0.275 4.613 4.340 -0.004 0.000 0.555 86 Q C 0.094 176.177 176.000 0.138 0.000 0.966 86 Q CA 0.829 56.682 55.803 0.083 0.000 0.791 86 Q CB -0.151 28.640 28.738 0.088 0.000 2.750 86 Q HN 0.921 nan 8.270 nan 0.000 0.344 87 D N 0.298 120.845 120.400 0.246 0.000 2.357 87 D HA 0.259 4.896 4.640 -0.004 0.000 0.242 87 D C -0.698 175.825 176.300 0.371 0.000 1.153 87 D CA 0.131 54.319 54.000 0.313 0.000 0.918 87 D CB 0.592 41.690 40.800 0.497 0.000 1.181 87 D HN 0.251 nan 8.370 nan 0.000 0.435 88 L N 1.522 122.883 121.223 0.230 0.000 2.455 88 L HA 0.337 4.675 4.340 -0.004 0.000 0.264 88 L C -1.667 175.267 176.870 0.106 0.000 0.968 88 L CA -0.711 54.291 54.840 0.270 0.000 0.827 88 L CB 1.386 43.554 42.059 0.181 0.000 1.317 88 L HN 0.388 nan 8.230 nan 0.000 0.407 89 Y N 3.834 124.284 120.300 0.251 0.000 2.364 89 Y HA 0.401 4.948 4.550 -0.004 0.000 0.340 89 Y C -0.106 175.830 175.900 0.061 0.000 0.975 89 Y CA -0.636 57.547 58.100 0.137 0.000 1.089 89 Y CB 2.114 40.580 38.460 0.011 0.000 1.192 89 Y HN 0.393 nan 8.280 nan 0.000 0.454 90 L N 5.137 126.418 121.223 0.097 0.000 2.255 90 L HA 0.601 4.939 4.340 -0.004 0.000 0.289 90 L C -1.162 175.684 176.870 -0.040 0.000 1.046 90 L CA -0.486 54.294 54.840 -0.099 0.000 0.816 90 L CB 0.430 42.314 42.059 -0.292 0.000 1.197 90 L HN 0.402 nan 8.230 nan 0.000 0.427 91 V N 5.155 125.030 119.914 -0.066 0.000 2.347 91 V HA 0.675 4.793 4.120 -0.004 0.000 0.280 91 V C 0.756 176.761 176.094 -0.149 0.000 1.021 91 V CA -0.414 61.840 62.300 -0.076 0.000 0.847 91 V CB 0.997 32.777 31.823 -0.071 0.000 0.990 91 V HN 0.878 nan 8.190 nan 0.000 0.444 92 G N 3.705 112.411 108.800 -0.158 0.000 2.348 92 G HA2 0.599 4.557 3.960 -0.004 0.000 0.312 92 G HA3 0.599 4.557 3.960 -0.004 0.000 0.312 92 G C -0.073 174.627 174.900 -0.333 0.000 1.126 92 G CA -0.687 44.283 45.100 -0.217 0.000 0.865 92 G HN 0.679 nan 8.290 nan 0.000 0.474 93 R N 1.499 121.727 120.500 -0.453 0.000 2.881 93 R HA 0.358 4.696 4.340 -0.004 0.000 0.331 93 R C 0.927 176.935 176.300 -0.487 0.000 1.207 93 R CA 0.168 55.761 56.100 -0.844 0.000 1.265 93 R CB 0.902 30.451 30.300 -1.250 0.000 1.351 93 R HN 0.984 nan 8.270 nan 0.000 0.613 94 G N 1.056 109.586 108.800 -0.449 0.000 2.149 94 G HA2 -0.263 3.695 3.960 -0.004 0.000 0.235 94 G HA3 -0.263 3.695 3.960 -0.004 0.000 0.235 94 G C -0.342 174.293 174.900 -0.443 0.000 1.018 94 G CA 0.080 44.935 45.100 -0.408 0.000 0.728 94 G HN 0.474 nan 8.290 nan 0.000 0.508 95 D N 0.687 120.902 120.400 -0.308 0.000 2.358 95 D HA 0.360 4.998 4.640 -0.004 0.000 0.258 95 D C -0.494 175.607 176.300 -0.332 0.000 1.223 95 D CA -1.722 52.093 54.000 -0.308 0.000 0.886 95 D CB 1.170 41.920 40.800 -0.083 0.000 1.120 95 D HN 0.201 nan 8.370 nan 0.000 0.482 96 P HA 0.069 nan 4.420 nan 0.000 0.257 96 P C 0.154 177.273 177.300 -0.302 0.000 1.325 96 P CA 0.290 63.164 63.100 -0.377 0.000 0.850 96 P CB 0.067 31.366 31.700 -0.669 0.000 1.324 97 T N -4.013 110.337 114.554 -0.339 0.000 3.460 97 T HA 0.191 4.539 4.350 -0.004 0.000 0.304 97 T C 0.032 174.586 174.700 -0.243 0.000 0.991 97 T CA -0.396 61.364 62.100 -0.566 0.000 0.975 97 T CB -0.476 67.686 68.868 -1.177 0.000 1.196 97 T HN -0.056 nan 8.240 nan 0.000 0.490 98 L N 3.953 125.128 121.223 -0.081 0.000 2.325 98 L HA 0.513 4.851 4.340 -0.004 0.000 0.284 98 L C 0.395 177.268 176.870 0.005 0.000 1.089 98 L CA -0.010 54.799 54.840 -0.052 0.000 0.836 98 L CB 0.675 42.696 42.059 -0.063 0.000 1.184 98 L HN 0.615 nan 8.230 nan 0.000 0.444 99 S N 3.584 119.281 115.700 -0.005 0.000 2.713 99 S HA 0.481 4.949 4.470 -0.004 0.000 0.283 99 S C 1.118 175.720 174.600 0.004 0.000 1.161 99 S CA -0.119 58.112 58.200 0.053 0.000 0.999 99 S CB 1.781 65.041 63.200 0.100 0.000 1.039 99 S HN 0.688 nan 8.310 nan 0.000 0.548 100 A N 0.640 123.482 122.820 0.036 0.000 1.972 100 A HA -0.036 4.282 4.320 -0.004 0.000 0.219 100 A C 2.099 179.692 177.584 0.016 0.000 1.169 100 A CA 1.229 53.285 52.037 0.033 0.000 0.635 100 A CB -0.844 18.186 19.000 0.051 0.000 0.810 100 A HN 0.836 nan 8.150 nan 0.000 0.446 101 E N 0.437 120.640 120.200 0.005 0.000 2.152 101 E HA -0.135 4.213 4.350 -0.004 0.000 0.192 101 E C 1.341 177.918 176.600 -0.038 0.000 0.983 101 E CA 1.059 57.456 56.400 -0.004 0.000 0.818 101 E CB -0.338 29.365 29.700 0.005 0.000 0.758 101 E HN 0.568 nan 8.360 nan 0.000 0.467 102 D N 0.640 120.974 120.400 -0.109 0.000 2.144 102 D HA -0.123 4.515 4.640 -0.004 0.000 0.199 102 D C 2.167 178.380 176.300 -0.144 0.000 0.984 102 D CA 0.548 54.389 54.000 -0.266 0.000 0.834 102 D CB -0.217 40.221 40.800 -0.605 0.000 0.955 102 D HN 0.193 nan 8.370 nan 0.000 0.465 103 L N 0.482 121.674 121.223 -0.052 0.000 2.083 103 L HA -0.193 4.145 4.340 -0.004 0.000 0.209 103 L C 2.179 179.160 176.870 0.184 0.000 1.083 103 L CA 1.291 56.186 54.840 0.092 0.000 0.752 103 L CB -0.387 41.759 42.059 0.145 0.000 0.899 103 L HN -0.010 nan 8.230 nan 0.000 0.433 104 D N -0.009 120.439 120.400 0.079 0.000 2.117 104 D HA -0.162 4.476 4.640 -0.004 0.000 0.198 104 D C 2.167 178.498 176.300 0.053 0.000 0.982 104 D CA 1.234 55.264 54.000 0.051 0.000 0.828 104 D CB 0.182 40.992 40.800 0.017 0.000 0.967 104 D HN 0.243 nan 8.370 nan 0.000 0.464 105 A N 0.047 122.892 122.820 0.042 0.000 1.898 105 A HA -0.113 4.204 4.320 -0.004 0.000 0.216 105 A C 2.309 179.939 177.584 0.077 0.000 1.181 105 A CA 1.273 53.338 52.037 0.046 0.000 0.620 105 A CB -0.593 18.430 19.000 0.037 0.000 0.819 105 A HN 0.312 nan 8.150 nan 0.000 0.442 106 M N -0.688 118.978 119.600 0.110 0.000 2.175 106 M HA -0.125 4.353 4.480 -0.004 0.000 0.264 106 M C 2.489 178.941 176.300 0.254 0.000 1.063 106 M CA 1.290 56.689 55.300 0.165 0.000 1.119 106 M CB -0.382 32.296 32.600 0.130 0.000 1.377 106 M HN 0.503 nan 8.290 nan 0.000 0.415 107 A N 0.278 123.256 122.820 0.264 0.000 1.930 107 A HA 0.009 4.327 4.320 -0.004 0.000 0.217 107 A C 2.330 179.922 177.584 0.013 0.000 1.175 107 A CA 1.712 53.785 52.037 0.060 0.000 0.627 107 A CB -0.706 18.224 19.000 -0.117 0.000 0.815 107 A HN 0.484 nan 8.150 nan 0.000 0.443 108 A N -0.206 122.633 122.820 0.032 0.000 1.898 108 A HA -0.127 4.191 4.320 -0.004 0.000 0.216 108 A C 1.907 179.508 177.584 0.029 0.000 1.181 108 A CA 1.502 53.549 52.037 0.017 0.000 0.620 108 A CB -0.471 18.540 19.000 0.018 0.000 0.819 108 A HN 0.605 nan 8.150 nan 0.000 0.442 109 E N -0.307 119.925 120.200 0.053 0.000 2.077 109 E HA -0.138 4.210 4.350 -0.004 0.000 0.193 109 E C 1.970 178.602 176.600 0.054 0.000 0.989 109 E CA 1.344 57.776 56.400 0.053 0.000 0.800 109 E CB -0.248 29.492 29.700 0.066 0.000 0.746 109 E HN 0.404 nan 8.360 nan 0.000 0.452 110 V N 1.265 121.223 119.914 0.074 0.000 2.343 110 V HA -0.285 3.833 4.120 -0.004 0.000 0.247 110 V C 2.299 178.409 176.094 0.026 0.000 1.051 110 V CA 1.831 64.171 62.300 0.067 0.000 1.036 110 V CB -0.697 31.183 31.823 0.096 0.000 0.654 110 V HN 0.319 nan 8.190 nan 0.000 0.451 111 A N 0.132 122.956 122.820 0.007 0.000 1.877 111 A HA -0.107 4.211 4.320 -0.004 0.000 0.216 111 A C 2.411 179.996 177.584 0.002 0.000 1.186 111 A CA 2.040 54.074 52.037 -0.006 0.000 0.620 111 A CB -0.865 18.125 19.000 -0.018 0.000 0.822 111 A HN 0.577 nan 8.150 nan 0.000 0.443 112 A N 0.263 123.089 122.820 0.009 0.000 2.070 112 A HA -0.047 4.271 4.320 -0.004 0.000 0.220 112 A C 2.376 179.966 177.584 0.010 0.000 1.159 112 A CA 2.082 54.124 52.037 0.009 0.000 0.656 112 A CB -0.851 18.156 19.000 0.012 0.000 0.800 112 A HN 1.010 nan 8.150 nan 0.000 0.453 113 S N -2.140 113.570 115.700 0.016 0.000 2.481 113 S HA 0.321 4.788 4.470 -0.004 0.000 0.231 113 S C 1.437 176.043 174.600 0.009 0.000 0.996 113 S CA 1.289 59.498 58.200 0.016 0.000 0.942 113 S CB -0.145 63.070 63.200 0.025 0.000 0.768 113 S HN 1.791 nan 8.310 nan 0.000 0.520 114 G N -0.115 108.689 108.800 0.007 0.000 2.227 114 G HA2 -0.155 3.803 3.960 -0.004 0.000 0.168 114 G HA3 -0.155 3.803 3.960 -0.004 0.000 0.168 114 G C -0.088 174.812 174.900 -0.000 0.000 1.006 114 G CA -0.250 44.851 45.100 0.001 0.000 0.684 114 G HN 0.600 nan 8.290 nan 0.000 0.489 115 V N 0.989 120.905 119.914 0.003 0.000 2.572 115 V HA 0.457 4.575 4.120 -0.004 0.000 0.291 115 V C 1.406 177.494 176.094 -0.011 0.000 1.039 115 V CA 0.759 63.060 62.300 0.001 0.000 1.055 115 V CB 1.209 33.039 31.823 0.011 0.000 0.969 115 V HN 0.428 nan 8.190 nan 0.000 0.482 116 R N 1.661 122.153 120.500 -0.013 0.000 2.320 116 R HA 0.205 4.543 4.340 -0.004 0.000 0.193 116 R C 0.023 176.308 176.300 -0.025 0.000 0.885 116 R CA 0.194 56.282 56.100 -0.020 0.000 1.085 116 R CB 0.655 30.945 30.300 -0.016 0.000 1.253 116 R HN 0.682 nan 8.270 nan 0.000 0.636 117 T N 1.243 115.787 114.554 -0.018 0.000 2.847 117 T HA 0.305 4.653 4.350 -0.004 0.000 0.291 117 T C -0.690 174.003 174.700 -0.011 0.000 0.998 117 T CA -0.477 61.612 62.100 -0.018 0.000 0.967 117 T CB 2.553 71.412 68.868 -0.014 0.000 0.954 117 T HN -0.211 nan 8.240 nan 0.000 0.441 118 V N 5.482 125.386 119.914 -0.017 0.000 2.370 118 V HA 0.154 4.272 4.120 -0.004 0.000 0.257 118 V C 1.643 177.735 176.094 -0.003 0.000 1.064 118 V CA -0.104 62.194 62.300 -0.002 0.000 0.975 118 V CB 0.080 31.895 31.823 -0.012 0.000 1.067 118 V HN 0.789 nan 8.190 nan 0.000 0.485 119 R N 3.041 123.547 120.500 0.011 0.000 2.115 119 R HA 0.031 4.369 4.340 -0.004 0.000 0.226 119 R C 1.502 177.812 176.300 0.017 0.000 1.100 119 R CA 1.011 57.117 56.100 0.011 0.000 0.980 119 R CB 0.177 30.486 30.300 0.016 0.000 0.875 119 R HN 0.772 nan 8.270 nan 0.000 0.445 120 G N 0.477 109.297 108.800 0.032 0.000 2.882 120 G HA2 0.089 4.047 3.960 -0.004 0.000 0.164 120 G HA3 0.089 4.047 3.960 -0.004 0.000 0.164 120 G C -0.568 174.322 174.900 -0.017 0.000 1.429 120 G CA -0.442 44.682 45.100 0.039 0.000 1.059 120 G HN 0.006 nan 8.290 nan 0.000 0.581 121 D N -0.223 120.146 120.400 -0.051 0.000 2.181 121 D HA 0.380 5.017 4.640 -0.004 0.000 0.248 121 D C -0.770 175.320 176.300 -0.350 0.000 1.020 121 D CA -0.351 53.499 54.000 -0.250 0.000 0.891 121 D CB 2.652 43.197 40.800 -0.425 0.000 1.187 121 D HN 0.138 nan 8.370 nan 0.000 0.443 122 L N 2.237 123.236 121.223 -0.373 0.000 2.265 122 L HA 0.287 4.625 4.340 -0.004 0.000 0.288 122 L C -1.468 175.111 176.870 -0.484 0.000 1.058 122 L CA -0.249 54.419 54.840 -0.288 0.000 0.809 122 L CB 0.161 42.161 42.059 -0.099 0.000 1.179 122 L HN 0.229 nan 8.230 nan 0.000 0.429 123 Y N 3.697 123.798 120.300 -0.332 0.000 2.387 123 Y HA 0.679 5.227 4.550 -0.004 0.000 0.336 123 Y C 0.398 176.207 175.900 -0.152 0.000 1.067 123 Y CA -0.712 57.182 58.100 -0.343 0.000 1.114 123 Y CB 1.857 39.858 38.460 -0.765 0.000 1.208 123 Y HN 0.715 nan 8.280 nan 0.000 0.458 124 A N 2.769 125.656 122.820 0.112 0.000 2.280 124 A HA 0.274 4.592 4.320 -0.004 0.000 0.320 124 A C -0.964 176.688 177.584 0.114 0.000 1.366 124 A CA -0.543 51.542 52.037 0.080 0.000 0.938 124 A CB -0.056 18.970 19.000 0.043 0.000 1.157 124 A HN 0.655 nan 8.150 nan 0.000 0.536 125 D N 2.834 123.301 120.400 0.113 0.000 2.373 125 D HA 0.259 4.897 4.640 -0.004 0.000 0.227 125 D C -0.552 175.762 176.300 0.023 0.000 1.091 125 D CA -0.194 53.863 54.000 0.094 0.000 0.840 125 D CB 1.161 42.032 40.800 0.118 0.000 1.060 125 D HN 0.545 nan 8.370 nan 0.000 0.502 126 D N 1.369 121.784 120.400 0.026 0.000 2.623 126 D HA -0.045 4.593 4.640 -0.004 0.000 0.252 126 D C 1.022 177.347 176.300 0.042 0.000 1.294 126 D CA -0.213 53.790 54.000 0.004 0.000 0.824 126 D CB -0.278 40.525 40.800 0.005 0.000 1.070 126 D HN 0.278 nan 8.370 nan 0.000 0.487 127 T N -4.295 110.294 114.554 0.058 0.000 3.160 127 T HA -0.093 4.255 4.350 -0.004 0.000 0.257 127 T C 1.371 176.141 174.700 0.116 0.000 1.147 127 T CA -0.226 61.913 62.100 0.066 0.000 1.064 127 T CB -0.757 68.127 68.868 0.027 0.000 0.949 127 T HN 0.385 nan 8.240 nan 0.000 0.526 128 W N 1.099 122.349 121.300 -0.083 0.000 2.374 128 W HA 0.087 4.745 4.660 -0.003 0.000 0.288 128 W C -0.666 175.909 176.519 0.093 0.000 1.218 128 W CA 0.249 57.548 57.345 -0.076 0.000 1.245 128 W CB 0.030 29.357 29.460 -0.222 0.000 1.126 128 W HN 0.135 nan 8.180 nan 0.000 0.545 129 F N 1.496 121.451 119.950 0.009 0.000 2.509 129 F HA 0.189 4.715 4.527 -0.003 0.000 0.334 129 F C 0.709 176.440 175.800 -0.115 0.000 1.060 129 F CA -1.991 55.926 58.000 -0.138 0.000 0.997 129 F CB -0.347 38.579 39.000 -0.124 0.000 1.271 129 F HN -0.231 nan 8.300 nan 0.000 0.488 130 D N -1.289 119.136 120.400 0.042 0.000 2.398 130 D HA 0.129 4.767 4.640 -0.004 0.000 0.247 130 D C 0.493 176.805 176.300 0.020 0.000 1.227 130 D CA -0.319 53.681 54.000 -0.001 0.000 0.980 130 D CB 0.152 40.924 40.800 -0.047 0.000 1.106 130 D HN 0.332 nan 8.370 nan 0.000 0.493 131 S N -2.298 113.415 115.700 0.023 0.000 2.679 131 S HA 0.027 4.495 4.470 -0.004 0.000 0.233 131 S C 0.386 175.015 174.600 0.048 0.000 0.951 131 S CA -0.629 57.596 58.200 0.041 0.000 0.973 131 S CB -0.610 62.616 63.200 0.044 0.000 0.778 131 S HN 0.534 nan 8.310 nan 0.000 0.477 132 E N 1.784 122.005 120.200 0.035 0.000 2.003 132 E HA 0.182 4.530 4.350 -0.004 0.000 0.279 132 E C 0.599 177.294 176.600 0.157 0.000 1.132 132 E CA -0.464 55.998 56.400 0.104 0.000 0.888 132 E CB 0.323 30.118 29.700 0.158 0.000 1.056 132 E HN 0.228 nan 8.360 nan 0.000 0.399 133 R N 2.551 123.154 120.500 0.172 0.000 2.093 133 R HA 0.126 4.463 4.340 -0.004 0.000 0.224 133 R C 0.482 176.975 176.300 0.323 0.000 1.101 133 R CA 0.739 56.960 56.100 0.201 0.000 0.979 133 R CB -0.132 30.265 30.300 0.163 0.000 0.877 133 R HN 0.426 nan 8.270 nan 0.000 0.441 134 L N -0.189 121.178 121.223 0.239 0.000 2.388 134 L HA 0.388 4.725 4.340 -0.004 0.000 0.264 134 L C -0.333 176.223 176.870 -0.524 0.000 0.998 134 L CA -1.032 53.809 54.840 0.002 0.000 0.817 134 L CB 2.574 44.734 42.059 0.168 0.000 1.338 134 L HN -0.342 nan 8.230 nan 0.000 0.414 135 V N 1.347 120.293 119.914 -1.613 0.000 2.715 135 V HA -0.061 4.057 4.120 -0.004 0.000 0.299 135 V C 0.683 176.313 176.094 -0.773 0.000 1.054 135 V CA 0.239 61.542 62.300 -1.662 0.000 1.077 135 V CB 1.053 31.468 31.823 -2.347 0.000 0.972 135 V HN 1.024 nan 8.190 nan 0.000 0.484 136 D N 3.671 123.779 120.400 -0.487 0.000 2.230 136 D HA -0.310 4.327 4.640 -0.004 0.000 0.189 136 D C 1.115 177.368 176.300 -0.078 0.000 1.006 136 D CA 2.042 55.917 54.000 -0.208 0.000 0.853 136 D CB -0.341 40.363 40.800 -0.161 0.000 0.959 136 D HN 0.791 nan 8.370 nan 0.000 0.449 137 D N -1.865 118.504 120.400 -0.052 0.000 2.325 137 D HA -0.021 4.617 4.640 -0.004 0.000 0.225 137 D C -0.221 176.314 176.300 0.392 0.000 1.096 137 D CA -0.610 53.478 54.000 0.146 0.000 0.844 137 D CB -0.610 40.261 40.800 0.119 0.000 0.925 137 D HN 0.272 nan 8.370 nan 0.000 0.513 138 W N 0.770 122.127 121.300 0.094 0.000 2.112 138 W HA 0.262 4.919 4.660 -0.005 0.000 0.349 138 W C 0.275 177.018 176.519 0.375 0.000 1.289 138 W CA -1.036 56.392 57.345 0.139 0.000 1.256 138 W CB 0.015 29.504 29.460 0.047 0.000 1.148 138 W HN -0.052 nan 8.180 nan 0.000 0.590 139 W N 3.456 124.894 121.300 0.230 0.000 2.335 139 W HA 0.252 4.910 4.660 -0.003 0.000 0.307 139 W C -1.188 175.414 176.519 0.137 0.000 1.117 139 W CA -2.789 54.641 57.345 0.143 0.000 1.228 139 W CB -0.149 29.371 29.460 0.099 0.000 1.240 139 W HN 0.170 nan 8.180 nan 0.000 0.468 140 P HA -0.292 nan 4.420 nan 0.000 0.218 140 P C 1.439 178.846 177.300 0.178 0.000 1.152 140 P CA 2.335 65.545 63.100 0.184 0.000 0.857 140 P CB 0.255 32.017 31.700 0.103 0.000 0.787 141 E N -0.833 119.494 120.200 0.212 0.000 2.347 141 E HA -0.160 4.188 4.350 -0.004 0.000 0.196 141 E C 0.994 177.774 176.600 0.299 0.000 1.008 141 E CA 1.019 57.551 56.400 0.219 0.000 0.852 141 E CB -0.983 28.839 29.700 0.202 0.000 0.783 141 E HN 0.266 nan 8.360 nan 0.000 0.505 142 D N 1.613 122.205 120.400 0.319 0.000 2.277 142 D HA -0.056 4.582 4.640 -0.004 0.000 0.208 142 D C 1.597 177.988 176.300 0.153 0.000 0.962 142 D CA 0.463 54.644 54.000 0.302 0.000 0.865 142 D CB -0.044 40.902 40.800 0.242 0.000 0.939 142 D HN 0.355 nan 8.370 nan 0.000 0.510 143 E N 0.322 120.583 120.200 0.102 0.000 2.114 143 E HA -0.186 4.161 4.350 -0.004 0.000 0.199 143 E C -0.797 175.711 176.600 -0.153 0.000 1.008 143 E CA 1.136 57.543 56.400 0.011 0.000 0.810 143 E CB -0.729 29.004 29.700 0.056 0.000 0.739 143 E HN 0.338 nan 8.360 nan 0.000 0.456 144 P HA -0.117 nan 4.420 nan 0.000 0.225 144 P C -0.516 176.346 177.300 -0.730 0.000 1.148 144 P CA 1.117 63.858 63.100 -0.597 0.000 0.779 144 P CB -0.024 31.146 31.700 -0.884 0.000 0.780 145 Y N -1.622 118.511 120.300 -0.279 0.000 2.361 145 Y HA 0.509 5.057 4.550 -0.004 0.000 0.332 145 Y C 1.870 177.456 175.900 -0.523 0.000 1.101 145 Y CA -0.992 56.829 58.100 -0.464 0.000 1.137 145 Y CB 0.537 38.543 38.460 -0.758 0.000 1.207 145 Y HN -0.232 nan 8.280 nan 0.000 0.463 146 A N 2.343 125.053 122.820 -0.183 0.000 1.997 146 A HA -0.284 4.034 4.320 -0.004 0.000 0.221 146 A C 1.584 179.136 177.584 -0.054 0.000 1.172 146 A CA 2.220 54.212 52.037 -0.075 0.000 0.645 146 A CB -1.299 17.713 19.000 0.020 0.000 0.813 146 A HN 0.944 nan 8.150 nan 0.000 0.454 147 Y N -2.663 117.651 120.300 0.022 0.000 2.583 147 Y HA 0.380 4.927 4.550 -0.004 0.000 0.293 147 Y C 1.629 177.441 175.900 -0.147 0.000 1.157 147 Y CA 0.615 58.681 58.100 -0.056 0.000 1.315 147 Y CB -0.475 37.929 38.460 -0.092 0.000 1.021 147 Y HN 0.159 nan 8.280 nan 0.000 0.536 148 S N 0.476 116.044 115.700 -0.220 0.000 2.711 148 S HA 0.645 5.112 4.470 -0.004 0.000 0.247 148 S C 0.359 174.979 174.600 0.033 0.000 1.079 148 S CA -0.357 57.750 58.200 -0.155 0.000 1.050 148 S CB -0.986 62.130 63.200 -0.140 0.000 0.885 148 S HN 0.543 nan 8.310 nan 0.000 0.498 149 A N 1.370 124.227 122.820 0.063 0.000 2.462 149 A HA 0.408 4.726 4.320 -0.004 0.000 0.243 149 A C 0.391 178.122 177.584 0.245 0.000 1.076 149 A CA -0.076 52.035 52.037 0.123 0.000 0.773 149 A CB 0.154 19.217 19.000 0.104 0.000 1.010 149 A HN 0.699 nan 8.150 nan 0.000 0.493 150 Q N 0.405 120.335 119.800 0.216 0.000 2.395 150 Q HA 0.162 4.500 4.340 -0.004 0.000 0.271 150 Q C -0.381 175.762 176.000 0.239 0.000 1.026 150 Q CA 0.194 56.146 55.803 0.248 0.000 0.900 150 Q CB 0.474 29.320 28.738 0.180 0.000 1.266 150 Q HN 0.556 nan 8.270 nan 0.000 0.430 151 I N 1.460 122.178 120.570 0.246 0.000 2.331 151 I HA 0.291 4.459 4.170 -0.004 0.000 0.292 151 I C 0.091 176.284 176.117 0.126 0.000 0.998 151 I CA 0.184 61.587 61.300 0.172 0.000 1.267 151 I CB 0.937 38.981 38.000 0.073 0.000 1.386 151 I HN 0.459 nan 8.210 nan 0.000 0.476 152 S N 3.422 119.222 115.700 0.167 0.000 2.556 152 S HA 0.690 5.158 4.470 -0.004 0.000 0.271 152 S C 0.588 175.266 174.600 0.131 0.000 1.135 152 S CA 0.013 58.306 58.200 0.156 0.000 0.858 152 S CB 1.905 65.155 63.200 0.084 0.000 1.114 152 S HN 0.680 nan 8.310 nan 0.000 0.468 153 A N 2.474 125.253 122.820 -0.068 0.000 2.066 153 A HA 0.311 4.628 4.320 -0.004 0.000 0.218 153 A C 0.679 178.101 177.584 -0.271 0.000 1.157 153 A CA 0.606 52.327 52.037 -0.526 0.000 0.670 153 A CB -0.207 18.423 19.000 -0.617 0.000 0.804 153 A HN 0.672 nan 8.150 nan 0.000 0.453 154 L N 0.894 122.040 121.223 -0.128 0.000 2.324 154 L HA 0.450 4.788 4.340 -0.004 0.000 0.274 154 L C -0.884 175.957 176.870 -0.049 0.000 1.012 154 L CA 0.022 54.803 54.840 -0.099 0.000 0.859 154 L CB 1.265 43.276 42.059 -0.080 0.000 1.224 154 L HN 0.186 nan 8.230 nan 0.000 0.429 155 T N 3.052 117.580 114.554 -0.044 0.000 2.933 155 T HA 0.473 4.821 4.350 -0.004 0.000 0.305 155 T C -0.976 173.727 174.700 0.004 0.000 1.092 155 T CA -0.295 61.804 62.100 -0.001 0.000 1.008 155 T CB 1.855 70.748 68.868 0.042 0.000 1.102 155 T HN 0.140 nan 8.240 nan 0.000 0.469 156 V N 3.996 123.925 119.914 0.024 0.000 2.432 156 V HA 0.688 4.806 4.120 -0.004 0.000 0.275 156 V C 0.726 176.888 176.094 0.113 0.000 1.043 156 V CA -0.617 61.714 62.300 0.050 0.000 0.925 156 V CB 0.874 32.723 31.823 0.042 0.000 0.985 156 V HN 1.072 nan 8.190 nan 0.000 0.466 157 A N 3.821 126.736 122.820 0.158 0.000 2.290 157 A HA 0.582 4.900 4.320 -0.004 0.000 0.310 157 A C -0.460 177.289 177.584 0.275 0.000 1.202 157 A CA -0.395 51.799 52.037 0.262 0.000 0.837 157 A CB 0.120 19.342 19.000 0.370 0.000 1.139 157 A HN 0.997 nan 8.150 nan 0.000 0.509 158 H N 1.618 120.777 119.070 0.149 0.000 2.489 158 H HA 0.525 5.078 4.556 -0.004 0.000 0.322 158 H C 0.826 176.170 175.328 0.026 0.000 1.091 158 H CA 1.117 57.213 56.048 0.080 0.000 1.291 158 H CB 0.854 30.644 29.762 0.047 0.000 1.436 158 H HN 1.548 nan 8.280 nan 0.000 0.480 159 G N 3.642 112.055 108.800 -0.645 0.000 2.804 159 G HA2 -0.291 3.667 3.960 -0.004 0.000 0.230 159 G HA3 -0.291 3.667 3.960 -0.004 0.000 0.230 159 G C 0.830 175.456 174.900 -0.456 0.000 1.386 159 G CA 0.231 45.000 45.100 -0.552 0.000 0.875 159 G HN 0.772 nan 8.290 nan 0.000 0.557 160 E N -0.032 119.944 120.200 -0.373 0.000 2.187 160 E HA -0.204 4.144 4.350 -0.004 0.000 0.199 160 E C 2.581 178.877 176.600 -0.508 0.000 1.004 160 E CA 1.544 57.717 56.400 -0.378 0.000 0.813 160 E CB -0.060 29.624 29.700 -0.027 0.000 0.736 160 E HN 0.498 nan 8.360 nan 0.000 0.468 161 R N -0.492 119.797 120.500 -0.353 0.000 2.276 161 R HA 0.071 4.409 4.340 -0.004 0.000 0.196 161 R C -0.073 176.230 176.300 0.005 0.000 0.961 161 R CA -0.010 55.974 56.100 -0.193 0.000 1.024 161 R CB 0.080 30.142 30.300 -0.397 0.000 0.940 161 R HN 0.112 nan 8.270 nan 0.000 0.480 162 F N 1.692 121.744 119.950 0.171 0.000 2.905 162 F HA -0.209 4.316 4.527 -0.004 0.000 0.291 162 F C -0.783 175.133 175.800 0.193 0.000 1.002 162 F CA 0.060 58.196 58.000 0.227 0.000 0.978 162 F CB -1.559 37.667 39.000 0.376 0.000 1.036 162 F HN 0.063 nan 8.300 nan 0.000 0.820 163 D N 1.549 122.087 120.400 0.230 0.000 2.336 163 D HA 0.201 4.839 4.640 -0.004 0.000 0.249 163 D C 0.851 177.274 176.300 0.206 0.000 1.213 163 D CA 0.339 54.440 54.000 0.169 0.000 0.870 163 D CB 1.176 42.051 40.800 0.125 0.000 1.076 163 D HN 0.359 nan 8.370 nan 0.000 0.483 164 T N -1.798 112.873 114.554 0.194 0.000 2.918 164 T HA 0.478 4.825 4.350 -0.004 0.000 0.283 164 T C 1.246 176.025 174.700 0.130 0.000 1.001 164 T CA -0.202 62.005 62.100 0.179 0.000 1.041 164 T CB 1.653 70.638 68.868 0.195 0.000 1.028 164 T HN 0.521 nan 8.240 nan 0.000 0.511 165 G N 0.233 109.099 108.800 0.109 0.000 2.233 165 G HA2 -0.124 3.834 3.960 -0.004 0.000 0.270 165 G HA3 -0.124 3.834 3.960 -0.004 0.000 0.270 165 G C 0.110 175.049 174.900 0.066 0.000 1.011 165 G CA 0.387 45.540 45.100 0.089 0.000 0.762 165 G HN 1.835 nan 8.290 nan 0.000 0.511 166 V N -3.929 116.019 119.914 0.057 0.000 3.001 166 V HA 0.968 5.086 4.120 -0.004 0.000 0.314 166 V C 0.041 176.128 176.094 -0.013 0.000 1.099 166 V CA -0.220 62.088 62.300 0.013 0.000 0.989 166 V CB 2.022 33.841 31.823 -0.007 0.000 1.040 166 V HN 0.604 nan 8.190 nan 0.000 0.434 167 T N 0.770 115.294 114.554 -0.051 0.000 2.912 167 T HA 0.440 4.788 4.350 -0.004 0.000 0.288 167 T C -0.758 173.834 174.700 -0.179 0.000 1.030 167 T CA -0.407 61.640 62.100 -0.090 0.000 1.020 167 T CB 1.652 70.508 68.868 -0.019 0.000 1.056 167 T HN 1.052 nan 8.240 nan 0.000 0.480 168 E N 2.790 122.834 120.200 -0.259 0.000 2.115 168 E HA 0.461 4.808 4.350 -0.004 0.000 0.282 168 E C -0.977 175.561 176.600 -0.103 0.000 0.987 168 E CA -0.592 55.663 56.400 -0.242 0.000 0.797 168 E CB 0.759 30.243 29.700 -0.359 0.000 1.086 168 E HN 0.371 nan 8.360 nan 0.000 0.397 169 V N 3.881 123.751 119.914 -0.072 0.000 2.432 169 V HA 0.218 4.336 4.120 -0.004 0.000 0.275 169 V C -0.189 175.891 176.094 -0.024 0.000 1.043 169 V CA -0.443 61.834 62.300 -0.038 0.000 0.925 169 V CB 1.499 33.302 31.823 -0.034 0.000 0.985 169 V HN 0.613 nan 8.190 nan 0.000 0.466 170 S N 3.993 119.686 115.700 -0.012 0.000 2.498 170 S HA 0.639 5.107 4.470 -0.004 0.000 0.317 170 S C -0.463 174.137 174.600 -0.000 0.000 1.090 170 S CA -0.594 57.604 58.200 -0.003 0.000 1.089 170 S CB 1.712 64.914 63.200 0.003 0.000 0.997 170 S HN 0.436 nan 8.310 nan 0.000 0.470 171 V N 3.399 123.314 119.914 0.001 0.000 2.384 171 V HA 0.569 4.687 4.120 -0.004 0.000 0.287 171 V C -0.067 176.030 176.094 0.004 0.000 1.020 171 V CA -0.426 61.875 62.300 0.002 0.000 0.850 171 V CB 1.651 33.475 31.823 0.003 0.000 0.987 171 V HN 0.901 nan 8.190 nan 0.000 0.436 172 T N 7.425 121.981 114.554 0.004 0.000 2.848 172 T HA 0.509 4.857 4.350 -0.004 0.000 0.285 172 T C -2.756 171.946 174.700 0.004 0.000 0.995 172 T CA -1.191 60.912 62.100 0.005 0.000 0.970 172 T CB 2.345 71.216 68.868 0.005 0.000 0.976 172 T HN 0.459 nan 8.240 nan 0.000 0.441 173 P HA 0.519 nan 4.420 nan 0.000 0.274 173 P C -0.637 176.665 177.300 0.003 0.000 1.237 173 P CA -0.364 62.739 63.100 0.004 0.000 0.793 173 P CB 0.951 32.654 31.700 0.004 0.000 0.977 174 A N 1.711 124.533 122.820 0.003 0.000 3.944 174 A HA 0.767 5.085 4.320 -0.004 0.000 0.151 174 A C 0.039 177.624 177.584 0.002 0.000 1.301 174 A CA -0.187 51.852 52.037 0.002 0.000 1.020 174 A CB -0.386 18.615 19.000 0.002 0.000 1.627 174 A HN 0.564 nan 8.150 nan 0.000 0.661 175 A N -0.150 122.672 122.820 0.002 0.000 2.371 175 A HA 0.478 4.796 4.320 -0.004 0.000 0.257 175 A C 0.277 177.862 177.584 0.002 0.000 1.089 175 A CA -0.147 51.891 52.037 0.002 0.000 0.794 175 A CB -0.186 18.814 19.000 0.002 0.000 1.029 175 A HN 0.686 nan 8.150 nan 0.000 0.488 176 E N 0.511 120.712 120.200 0.002 0.000 2.558 176 E HA 0.250 4.598 4.350 -0.004 0.000 0.255 176 E C 1.245 177.846 176.600 0.001 0.000 0.968 176 E CA 1.173 57.574 56.400 0.002 0.000 0.939 176 E CB -0.080 29.622 29.700 0.002 0.000 0.921 176 E HN 1.401 nan 8.360 nan 0.000 0.477 177 G N 3.941 112.742 108.800 0.001 0.000 2.284 177 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.230 177 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.230 177 G C 0.065 174.965 174.900 0.001 0.000 1.021 177 G CA 0.206 45.307 45.100 0.001 0.000 0.619 177 G HN 0.610 nan 8.290 nan 0.000 0.510 178 E N 1.975 122.175 120.200 0.001 0.000 2.373 178 E HA 0.400 4.748 4.350 -0.004 0.000 0.263 178 E C -2.287 174.313 176.600 0.001 0.000 1.073 178 E CA -1.726 54.674 56.400 0.001 0.000 0.894 178 E CB 0.741 30.441 29.700 0.001 0.000 1.008 178 E HN 0.160 nan 8.360 nan 0.000 0.420 179 P HA -0.058 nan 4.420 nan 0.000 0.267 179 P C -1.069 176.231 177.300 0.000 0.000 1.200 179 P CA 0.199 63.299 63.100 -0.000 0.000 0.772 179 P CB 0.514 32.213 31.700 -0.001 0.000 0.855 180 A N 2.207 125.027 122.820 0.001 0.000 2.407 180 A HA 0.152 4.470 4.320 -0.004 0.000 0.248 180 A C 0.166 177.750 177.584 0.001 0.000 1.082 180 A CA -0.080 51.958 52.037 0.001 0.000 0.785 180 A CB -0.369 18.632 19.000 0.002 0.000 1.020 180 A HN 0.539 nan 8.150 nan 0.000 0.489 181 D N 1.007 121.408 120.400 0.002 0.000 2.348 181 D HA 0.391 5.028 4.640 -0.004 0.000 0.253 181 D C -0.600 175.701 176.300 0.001 0.000 1.161 181 D CA 0.248 54.249 54.000 0.002 0.000 0.876 181 D CB 0.673 41.475 40.800 0.003 0.000 1.160 181 D HN 0.181 nan 8.370 nan 0.000 0.459 182 V N 4.447 124.360 119.914 -0.000 0.000 2.398 182 V HA 0.274 4.391 4.120 -0.004 0.000 0.286 182 V C -0.198 175.896 176.094 -0.000 0.000 1.026 182 V CA -0.745 61.554 62.300 -0.002 0.000 0.868 182 V CB 1.639 33.458 31.823 -0.006 0.000 0.982 182 V HN 0.579 nan 8.190 nan 0.000 0.443 183 D N 4.107 124.508 120.400 0.001 0.000 2.381 183 D HA 0.349 4.987 4.640 -0.004 0.000 0.235 183 D C 0.561 176.861 176.300 0.001 0.000 1.068 183 D CA -0.350 53.653 54.000 0.005 0.000 0.832 183 D CB 1.858 42.662 40.800 0.008 0.000 1.101 183 D HN 0.427 nan 8.370 nan 0.000 0.515 184 L N 3.190 124.416 121.223 0.004 0.000 2.627 184 L HA 0.206 4.544 4.340 -0.004 0.000 0.233 184 L C 1.649 178.523 176.870 0.006 0.000 1.144 184 L CA 0.238 55.079 54.840 0.001 0.000 0.892 184 L CB -0.787 41.275 42.059 0.004 0.000 1.039 184 L HN 0.659 nan 8.230 nan 0.000 0.442 185 G N 0.603 109.410 108.800 0.011 0.000 2.564 185 G HA2 -0.415 3.542 3.960 -0.004 0.000 0.273 185 G HA3 -0.415 3.542 3.960 -0.004 0.000 0.273 185 G C 0.950 175.880 174.900 0.050 0.000 1.242 185 G CA 0.297 45.408 45.100 0.018 0.000 0.951 185 G HN 0.285 nan 8.290 nan 0.000 0.564 186 A N -0.779 122.076 122.820 0.058 0.000 1.997 186 A HA 0.171 4.489 4.320 -0.004 0.000 0.221 186 A C 2.859 180.523 177.584 0.133 0.000 1.172 186 A CA 3.502 55.595 52.037 0.093 0.000 0.645 186 A CB -0.881 18.172 19.000 0.088 0.000 0.813 186 A HN 2.384 nan 8.150 nan 0.000 0.454 187 A N -0.539 122.344 122.820 0.106 0.000 2.235 187 A HA 0.134 4.451 4.320 -0.004 0.000 0.208 187 A C 0.604 178.249 177.584 0.102 0.000 1.172 187 A CA -0.057 52.065 52.037 0.141 0.000 0.786 187 A CB -0.224 18.864 19.000 0.146 0.000 0.804 187 A HN 0.449 nan 8.150 nan 0.000 0.479 188 E N -0.352 119.911 120.200 0.104 0.000 2.608 188 E HA 0.166 4.514 4.350 -0.004 0.000 0.259 188 E C 1.291 177.971 176.600 0.132 0.000 0.951 188 E CA 1.168 57.624 56.400 0.094 0.000 0.945 188 E CB 0.136 29.894 29.700 0.097 0.000 0.916 188 E HN 0.681 nan 8.360 nan 0.000 0.477 189 G N 2.735 111.567 108.800 0.054 0.000 2.168 189 G HA2 -0.371 3.587 3.960 -0.004 0.000 0.263 189 G HA3 -0.371 3.587 3.960 -0.004 0.000 0.263 189 G C 0.490 175.276 174.900 -0.190 0.000 0.977 189 G CA 1.016 46.142 45.100 0.043 0.000 0.659 189 G HN 0.620 nan 8.290 nan 0.000 0.533 190 Y N 0.343 120.373 120.300 -0.449 0.000 2.808 190 Y HA 0.699 5.246 4.550 -0.004 0.000 0.244 190 Y C 1.741 177.510 175.900 -0.219 0.000 1.033 190 Y CA 1.260 59.059 58.100 -0.502 0.000 1.415 190 Y CB -0.207 37.875 38.460 -0.631 0.000 1.420 190 Y HN 0.626 nan 8.280 nan 0.000 0.484 191 A N 1.895 124.534 122.820 -0.302 0.000 2.351 191 A HA 0.329 4.646 4.320 -0.004 0.000 0.257 191 A C -0.200 177.270 177.584 -0.189 0.000 1.087 191 A CA -0.506 51.352 52.037 -0.299 0.000 0.798 191 A CB 0.032 18.961 19.000 -0.119 0.000 1.033 191 A HN 0.451 nan 8.150 nan 0.000 0.488 192 E N -0.174 119.924 120.200 -0.171 0.000 2.349 192 E HA 0.324 4.671 4.350 -0.004 0.000 0.265 192 E C -1.107 175.447 176.600 -0.076 0.000 1.064 192 E CA -0.446 55.888 56.400 -0.110 0.000 0.886 192 E CB 1.605 31.243 29.700 -0.103 0.000 1.036 192 E HN 0.463 nan 8.360 nan 0.000 0.413 193 L N 2.337 123.527 121.223 -0.055 0.000 2.305 193 L HA 0.320 4.658 4.340 -0.004 0.000 0.284 193 L C -0.798 176.052 176.870 -0.034 0.000 1.013 193 L CA -0.292 54.524 54.840 -0.040 0.000 0.819 193 L CB 1.344 43.386 42.059 -0.028 0.000 1.227 193 L HN 0.200 nan 8.230 nan 0.000 0.417 194 D N 3.308 123.689 120.400 -0.032 0.000 2.458 194 D HA 0.207 4.845 4.640 -0.004 0.000 0.258 194 D C -0.880 175.409 176.300 -0.019 0.000 1.134 194 D CA -0.192 53.793 54.000 -0.025 0.000 0.915 194 D CB 0.290 41.074 40.800 -0.026 0.000 1.028 194 D HN 0.483 nan 8.370 nan 0.000 0.508 195 N N 2.211 120.902 118.700 -0.016 0.000 2.437 195 N HA 0.143 4.881 4.740 -0.004 0.000 0.243 195 N C 0.334 175.839 175.510 -0.008 0.000 1.041 195 N CA -0.140 52.904 53.050 -0.011 0.000 0.940 195 N CB 0.529 39.010 38.487 -0.009 0.000 1.133 195 N HN 0.190 nan 8.380 nan 0.000 0.506 196 R N 1.592 122.088 120.500 -0.007 0.000 2.437 196 R HA 0.289 4.627 4.340 -0.004 0.000 0.257 196 R C -0.031 176.268 176.300 -0.002 0.000 0.927 196 R CA -0.322 55.776 56.100 -0.005 0.000 1.078 196 R CB 0.027 30.324 30.300 -0.004 0.000 1.161 196 R HN 0.454 nan 8.270 nan 0.000 0.529 197 A N 1.357 124.176 122.820 -0.002 0.000 2.388 197 A HA 0.406 4.724 4.320 -0.004 0.000 0.257 197 A C 0.060 177.644 177.584 0.000 0.000 1.095 197 A CA -0.167 51.870 52.037 0.000 0.000 0.791 197 A CB 0.891 19.892 19.000 0.001 0.000 1.029 197 A HN 0.026 nan 8.150 nan 0.000 0.489 198 V N 1.696 121.611 119.914 0.001 0.000 3.046 198 V HA 0.648 4.766 4.120 -0.004 0.000 0.316 198 V C 0.120 176.215 176.094 0.002 0.000 1.104 198 V CA -0.411 61.890 62.300 0.001 0.000 1.006 198 V CB 2.501 34.325 31.823 0.001 0.000 1.058 198 V HN 0.943 nan 8.190 nan 0.000 0.440 199 T N 4.075 118.631 114.554 0.002 0.000 2.743 199 T HA 0.562 4.910 4.350 -0.004 0.000 0.293 199 T C 0.263 174.965 174.700 0.003 0.000 0.945 199 T CA 0.330 62.432 62.100 0.003 0.000 1.030 199 T CB 0.883 69.752 68.868 0.002 0.000 0.912 199 T HN 1.057 nan 8.240 nan 0.000 0.483 200 G N 1.644 110.446 108.800 0.003 0.000 2.528 200 G HA2 0.577 4.535 3.960 -0.004 0.000 0.289 200 G HA3 0.577 4.535 3.960 -0.004 0.000 0.289 200 G C 0.098 175.000 174.900 0.003 0.000 1.192 200 G CA -0.873 44.229 45.100 0.003 0.000 0.921 200 G HN 0.985 nan 8.290 nan 0.000 0.512 201 A N -0.226 122.595 122.820 0.003 0.000 2.520 201 A HA 0.518 4.836 4.320 -0.004 0.000 0.235 201 A C 1.212 178.797 177.584 0.003 0.000 1.065 201 A CA 0.417 52.456 52.037 0.002 0.000 0.764 201 A CB -0.327 18.674 19.000 0.002 0.000 1.002 201 A HN 2.110 nan 8.150 nan 0.000 0.502 202 A N 1.358 124.180 122.820 0.002 0.000 2.591 202 A HA 0.430 4.747 4.320 -0.004 0.000 0.244 202 A C 1.796 179.382 177.584 0.003 0.000 1.031 202 A CA 1.156 53.194 52.037 0.003 0.000 0.767 202 A CB -0.990 18.011 19.000 0.002 0.000 0.942 202 A HN 2.822 nan 8.150 nan 0.000 0.514 203 G N 1.637 110.439 108.800 0.003 0.000 2.253 203 G HA2 -0.211 3.747 3.960 -0.004 0.000 0.251 203 G HA3 -0.211 3.747 3.960 -0.004 0.000 0.251 203 G C 0.815 175.717 174.900 0.003 0.000 0.998 203 G CA 0.936 46.038 45.100 0.003 0.000 0.621 203 G HN 2.288 nan 8.290 nan 0.000 0.524 204 S N 0.451 116.153 115.700 0.003 0.000 2.587 204 S HA 0.643 5.110 4.470 -0.004 0.000 0.260 204 S C 0.723 175.325 174.600 0.004 0.000 1.353 204 S CA 0.601 58.803 58.200 0.003 0.000 0.995 204 S CB 1.440 64.642 63.200 0.003 0.000 0.912 204 S HN 1.972 nan 8.310 nan 0.000 0.568 205 A N 1.599 124.421 122.820 0.004 0.000 2.366 205 A HA 0.362 4.680 4.320 -0.004 0.000 0.272 205 A C 0.465 178.052 177.584 0.006 0.000 1.135 205 A CA -0.634 51.406 52.037 0.005 0.000 0.804 205 A CB -0.280 18.723 19.000 0.005 0.000 1.064 205 A HN 0.822 nan 8.150 nan 0.000 0.499 206 N N 1.902 120.606 118.700 0.006 0.000 2.405 206 N HA 0.101 4.839 4.740 -0.004 0.000 0.260 206 N C 0.559 176.075 175.510 0.009 0.000 1.152 206 N CA 0.871 53.925 53.050 0.008 0.000 0.948 206 N CB 0.626 39.118 38.487 0.008 0.000 1.111 206 N HN 0.662 nan 8.380 nan 0.000 0.485 207 T N 1.150 115.710 114.554 0.010 0.000 3.288 207 T HA 0.188 4.535 4.350 -0.004 0.000 0.293 207 T C 0.419 175.127 174.700 0.014 0.000 1.008 207 T CA -0.539 61.568 62.100 0.012 0.000 0.929 207 T CB -0.445 68.429 68.868 0.010 0.000 1.152 207 T HN 0.268 nan 8.240 nan 0.000 0.517 208 L N 2.547 123.779 121.223 0.015 0.000 2.360 208 L HA 0.598 4.936 4.340 -0.004 0.000 0.276 208 L C -0.762 176.122 176.870 0.024 0.000 1.121 208 L CA -0.073 54.776 54.840 0.016 0.000 0.845 208 L CB 0.830 42.897 42.059 0.014 0.000 1.143 208 L HN 0.149 nan 8.230 nan 0.000 0.452 209 V N 6.665 126.594 119.914 0.025 0.000 2.540 209 V HA 0.470 4.588 4.120 -0.004 0.000 0.302 209 V C -0.118 175.993 176.094 0.028 0.000 1.035 209 V CA -0.509 61.813 62.300 0.037 0.000 0.873 209 V CB 1.717 33.564 31.823 0.040 0.000 0.992 209 V HN 0.565 nan 8.190 nan 0.000 0.428 210 I N 3.894 124.486 120.570 0.036 0.000 2.406 210 I HA 0.636 4.803 4.170 -0.004 0.000 0.290 210 I C -0.799 175.311 176.117 -0.011 0.000 0.999 210 I CA -0.141 61.164 61.300 0.008 0.000 1.124 210 I CB 1.873 39.874 38.000 0.002 0.000 1.289 210 I HN 0.628 nan 8.210 nan 0.000 0.441 211 D N 4.365 124.736 120.400 -0.049 0.000 2.596 211 D HA 0.392 5.030 4.640 -0.004 0.000 0.234 211 D C -1.051 175.180 176.300 -0.114 0.000 1.181 211 D CA -0.785 53.159 54.000 -0.094 0.000 0.856 211 D CB 2.208 42.988 40.800 -0.032 0.000 1.498 211 D HN 0.426 nan 8.370 nan 0.000 0.446 212 R N 2.671 123.078 120.500 -0.156 0.000 2.310 212 R HA 0.487 4.825 4.340 -0.004 0.000 0.316 212 R C -2.483 173.766 176.300 -0.084 0.000 1.004 212 R CA -1.758 54.273 56.100 -0.116 0.000 0.900 212 R CB 1.119 31.341 30.300 -0.131 0.000 1.152 212 R HN 0.237 nan 8.270 nan 0.000 0.513 213 P HA -0.130 nan 4.420 nan 0.000 0.266 213 P C -0.359 176.926 177.300 -0.025 0.000 1.195 213 P CA -0.206 62.875 63.100 -0.032 0.000 0.768 213 P CB 0.709 32.393 31.700 -0.026 0.000 0.838 214 V N 3.678 123.587 119.914 -0.008 0.000 2.617 214 V HA 0.237 4.354 4.120 -0.004 0.000 0.304 214 V C 1.430 177.526 176.094 0.002 0.000 1.040 214 V CA 1.906 64.209 62.300 0.005 0.000 1.149 214 V CB -0.549 31.287 31.823 0.021 0.000 0.914 214 V HN 0.986 nan 8.190 nan 0.000 0.487 215 G N 3.749 112.553 108.800 0.007 0.000 2.162 215 G HA2 -0.227 3.731 3.960 -0.004 0.000 0.260 215 G HA3 -0.227 3.731 3.960 -0.004 0.000 0.260 215 G C 0.299 175.193 174.900 -0.009 0.000 0.976 215 G CA 0.779 45.882 45.100 0.006 0.000 0.655 215 G HN 1.681 nan 8.290 nan 0.000 0.533 216 T N -2.968 111.573 114.554 -0.020 0.000 2.930 216 T HA 0.644 4.992 4.350 -0.004 0.000 0.290 216 T C 0.105 174.773 174.700 -0.054 0.000 1.052 216 T CA -0.224 61.853 62.100 -0.039 0.000 1.017 216 T CB 2.046 70.888 68.868 -0.043 0.000 1.137 216 T HN 0.083 nan 8.240 nan 0.000 0.511 217 N N 0.611 119.260 118.700 -0.086 0.000 2.453 217 N HA 0.276 5.014 4.740 -0.004 0.000 0.270 217 N C -0.867 174.563 175.510 -0.134 0.000 1.195 217 N CA -0.278 52.696 53.050 -0.126 0.000 0.902 217 N CB 0.085 38.443 38.487 -0.215 0.000 1.186 217 N HN 0.678 nan 8.380 nan 0.000 0.510 218 T N 1.064 115.561 114.554 -0.095 0.000 2.794 218 T HA 0.388 4.735 4.350 -0.004 0.000 0.280 218 T C 0.039 174.696 174.700 -0.072 0.000 0.987 218 T CA -0.493 61.556 62.100 -0.083 0.000 0.993 218 T CB 1.194 70.022 68.868 -0.066 0.000 0.939 218 T HN -0.029 nan 8.240 nan 0.000 0.449 219 I N 3.274 123.804 120.570 -0.067 0.000 2.301 219 I HA 0.424 4.592 4.170 -0.004 0.000 0.292 219 I C 0.534 176.623 176.117 -0.047 0.000 1.046 219 I CA -0.840 60.424 61.300 -0.060 0.000 1.282 219 I CB 0.254 38.222 38.000 -0.054 0.000 1.409 219 I HN 0.666 nan 8.210 nan 0.000 0.484 220 A N 7.512 130.306 122.820 -0.044 0.000 2.249 220 A HA 0.647 4.965 4.320 -0.004 0.000 0.314 220 A C -0.361 177.210 177.584 -0.022 0.000 1.290 220 A CA -0.472 51.547 52.037 -0.030 0.000 0.893 220 A CB 0.718 19.701 19.000 -0.027 0.000 1.165 220 A HN 0.432 nan 8.150 nan 0.000 0.530 221 V N 3.530 123.434 119.914 -0.016 0.000 2.370 221 V HA 0.614 4.732 4.120 -0.004 0.000 0.283 221 V C 0.533 176.624 176.094 -0.004 0.000 1.023 221 V CA -0.052 62.243 62.300 -0.008 0.000 0.857 221 V CB 1.047 32.865 31.823 -0.008 0.000 0.985 221 V HN 1.061 nan 8.190 nan 0.000 0.443 222 T N 1.164 115.719 114.554 0.002 0.000 2.910 222 T HA 0.952 5.300 4.350 -0.004 0.000 0.287 222 T C 0.255 174.960 174.700 0.007 0.000 1.050 222 T CA -0.075 62.027 62.100 0.004 0.000 1.011 222 T CB 1.862 70.733 68.868 0.006 0.000 1.195 222 T HN 1.805 nan 8.240 nan 0.000 0.540 223 G N 0.373 109.177 108.800 0.007 0.000 2.587 223 G HA2 0.160 4.118 3.960 -0.004 0.000 0.212 223 G HA3 0.160 4.118 3.960 -0.004 0.000 0.212 223 G C -0.482 174.421 174.900 0.006 0.000 1.327 223 G CA -0.299 44.806 45.100 0.008 0.000 0.898 223 G HN 1.191 nan 8.290 nan 0.000 0.551 224 S N -0.872 114.832 115.700 0.007 0.000 2.521 224 S HA 0.664 5.132 4.470 -0.004 0.000 0.295 224 S C -0.802 173.802 174.600 0.006 0.000 1.098 224 S CA -0.454 57.749 58.200 0.006 0.000 0.999 224 S CB 1.593 64.796 63.200 0.005 0.000 1.034 224 S HN 1.076 nan 8.310 nan 0.000 0.483 225 L N 6.098 127.325 121.223 0.005 0.000 2.296 225 L HA 0.605 4.943 4.340 -0.004 0.000 0.286 225 L C -2.377 174.495 176.870 0.005 0.000 1.023 225 L CA -1.935 52.908 54.840 0.006 0.000 0.812 225 L CB 1.221 43.283 42.059 0.005 0.000 1.223 225 L HN 0.338 nan 8.230 nan 0.000 0.421 226 P HA 0.069 nan 4.420 nan 0.000 0.272 226 P C -0.022 177.280 177.300 0.004 0.000 1.223 226 P CA -0.133 62.969 63.100 0.004 0.000 0.784 226 P CB 0.803 32.506 31.700 0.004 0.000 0.923 227 A N 2.783 125.605 122.820 0.003 0.000 1.978 227 A HA -0.201 4.117 4.320 -0.004 0.000 0.220 227 A C 1.282 178.869 177.584 0.003 0.000 1.170 227 A CA 2.105 54.144 52.037 0.003 0.000 0.636 227 A CB -1.238 17.763 19.000 0.003 0.000 0.810 227 A HN 0.635 nan 8.150 nan 0.000 0.448 228 D N -0.512 119.890 120.400 0.003 0.000 2.328 228 D HA 0.421 5.059 4.640 -0.004 0.000 0.221 228 D C 0.527 176.829 176.300 0.004 0.000 1.072 228 D CA 0.378 54.380 54.000 0.003 0.000 0.850 228 D CB -0.490 40.312 40.800 0.003 0.000 0.922 228 D HN 0.378 nan 8.370 nan 0.000 0.516 229 A N 0.428 123.250 122.820 0.004 0.000 2.371 229 A HA 0.612 4.929 4.320 -0.004 0.000 0.257 229 A C 0.684 178.271 177.584 0.005 0.000 1.089 229 A CA -0.228 51.812 52.037 0.005 0.000 0.794 229 A CB 0.334 19.337 19.000 0.005 0.000 1.029 229 A HN 0.359 nan 8.150 nan 0.000 0.488 230 A N 2.933 125.756 122.820 0.005 0.000 2.425 230 A HA 0.559 4.876 4.320 -0.004 0.000 0.242 230 A C -2.183 175.404 177.584 0.006 0.000 1.077 230 A CA -1.090 50.950 52.037 0.006 0.000 0.781 230 A CB -0.762 18.242 19.000 0.006 0.000 1.020 230 A HN 0.662 nan 8.150 nan 0.000 0.494 231 P HA 0.193 nan 4.420 nan 0.000 0.265 231 P C -0.820 176.485 177.300 0.008 0.000 1.187 231 P CA 0.054 63.158 63.100 0.007 0.000 0.766 231 P CB 0.441 32.146 31.700 0.008 0.000 0.820 232 V N 3.515 123.433 119.914 0.008 0.000 2.394 232 V HA 0.399 4.517 4.120 -0.004 0.000 0.282 232 V C 0.409 176.507 176.094 0.007 0.000 1.031 232 V CA -0.164 62.141 62.300 0.009 0.000 0.881 232 V CB 1.297 33.127 31.823 0.010 0.000 0.982 232 V HN 0.702 nan 8.190 nan 0.000 0.451 233 T N 2.284 116.842 114.554 0.008 0.000 2.824 233 T HA 0.876 5.224 4.350 -0.004 0.000 0.282 233 T C -0.514 174.188 174.700 0.004 0.000 0.993 233 T CA -0.575 61.527 62.100 0.003 0.000 0.967 233 T CB 1.862 70.733 68.868 0.005 0.000 0.960 233 T HN 0.984 nan 8.240 nan 0.000 0.441 234 A N 3.800 126.617 122.820 -0.005 0.000 2.422 234 A HA 0.726 5.044 4.320 -0.004 0.000 0.302 234 A C -0.476 177.091 177.584 -0.029 0.000 1.041 234 A CA -1.039 51.000 52.037 0.004 0.000 0.708 234 A CB 1.188 20.205 19.000 0.029 0.000 1.257 234 A HN 0.953 nan 8.150 nan 0.000 0.414 235 L N 2.844 124.052 121.223 -0.024 0.000 2.319 235 L HA 0.463 4.801 4.340 -0.004 0.000 0.280 235 L C 0.160 176.998 176.870 -0.052 0.000 1.099 235 L CA -0.298 54.506 54.840 -0.061 0.000 0.828 235 L CB 0.366 42.401 42.059 -0.040 0.000 1.150 235 L HN 0.599 nan 8.230 nan 0.000 0.442 236 R N 1.462 121.912 120.500 -0.084 0.000 2.628 236 R HA 0.367 4.704 4.340 -0.004 0.000 0.288 236 R C -0.265 175.979 176.300 -0.093 0.000 0.980 236 R CA -0.662 55.367 56.100 -0.119 0.000 0.891 236 R CB 2.159 32.384 30.300 -0.126 0.000 1.188 236 R HN 0.716 nan 8.270 nan 0.000 0.450 237 T N -1.371 113.118 114.554 -0.108 0.000 2.802 237 T HA 0.337 4.685 4.350 -0.004 0.000 0.305 237 T C 0.793 175.483 174.700 -0.015 0.000 1.053 237 T CA -0.612 61.461 62.100 -0.046 0.000 1.058 237 T CB 0.750 69.591 68.868 -0.045 0.000 0.988 237 T HN 0.357 nan 8.240 nan 0.000 0.539 238 V N -1.270 118.672 119.914 0.046 0.000 2.919 238 V HA 0.621 4.739 4.120 -0.004 0.000 0.316 238 V C -0.305 175.859 176.094 0.116 0.000 1.077 238 V CA -1.327 61.033 62.300 0.101 0.000 0.977 238 V CB 1.564 33.530 31.823 0.238 0.000 1.039 238 V HN 0.944 nan 8.190 nan 0.000 0.441 239 D N 1.948 122.411 120.400 0.105 0.000 2.382 239 D HA 0.203 4.841 4.640 -0.004 0.000 0.245 239 D C 0.077 176.500 176.300 0.205 0.000 1.120 239 D CA 0.775 54.840 54.000 0.107 0.000 0.890 239 D CB 0.341 41.163 40.800 0.038 0.000 1.201 239 D HN 0.794 nan 8.370 nan 0.000 0.433 240 E N 2.308 122.606 120.200 0.163 0.000 2.560 240 E HA -0.153 4.194 4.350 -0.004 0.000 0.158 240 E C -1.906 174.777 176.600 0.138 0.000 1.709 240 E CA 0.069 56.567 56.400 0.163 0.000 0.653 240 E CB -0.868 28.943 29.700 0.185 0.000 1.090 240 E HN 0.500 nan 8.360 nan 0.000 0.355 241 P HA -0.212 nan 4.420 nan 0.000 0.216 241 P C 1.336 178.628 177.300 -0.014 0.000 1.150 241 P CA 2.235 65.361 63.100 0.043 0.000 0.843 241 P CB 0.187 31.927 31.700 0.066 0.000 0.787 242 A N -0.337 122.488 122.820 0.009 0.000 1.969 242 A HA -0.015 4.303 4.320 -0.004 0.000 0.218 242 A C 2.282 179.844 177.584 -0.037 0.000 1.169 242 A CA 1.754 53.784 52.037 -0.012 0.000 0.635 242 A CB -1.427 17.582 19.000 0.014 0.000 0.810 242 A HN 0.201 nan 8.150 nan 0.000 0.445 243 A N -0.521 122.282 122.820 -0.029 0.000 1.969 243 A HA 0.050 4.368 4.320 -0.004 0.000 0.218 243 A C 2.062 179.427 177.584 -0.366 0.000 1.169 243 A CA 1.546 53.554 52.037 -0.048 0.000 0.635 243 A CB -0.491 18.602 19.000 0.155 0.000 0.810 243 A HN 0.622 nan 8.150 nan 0.000 0.445 244 L N -0.141 120.659 121.223 -0.705 0.000 2.056 244 L HA -0.016 4.321 4.340 -0.004 0.000 0.207 244 L C 2.616 179.336 176.870 -0.249 0.000 1.078 244 L CA 2.105 56.447 54.840 -0.829 0.000 0.749 244 L CB -0.872 40.787 42.059 -0.666 0.000 0.901 244 L HN 0.324 nan 8.230 nan 0.000 0.433 245 A N -0.431 122.302 122.820 -0.146 0.000 1.908 245 A HA -0.101 4.216 4.320 -0.004 0.000 0.218 245 A C 2.349 179.931 177.584 -0.005 0.000 1.181 245 A CA 1.677 53.679 52.037 -0.057 0.000 0.627 245 A CB -1.618 17.344 19.000 -0.062 0.000 0.818 245 A HN 0.533 nan 8.150 nan 0.000 0.445 246 G N -1.189 107.604 108.800 -0.011 0.000 2.421 246 G HA2 -0.308 3.650 3.960 -0.004 0.000 0.216 246 G HA3 -0.308 3.650 3.960 -0.004 0.000 0.216 246 G C 1.472 176.418 174.900 0.076 0.000 1.171 246 G CA 1.494 46.626 45.100 0.053 0.000 0.775 246 G HN 0.779 nan 8.290 nan 0.000 0.543 247 H N 0.591 119.618 119.070 -0.071 0.000 2.289 247 H HA 0.023 4.577 4.556 -0.004 0.000 0.296 247 H C 2.470 177.788 175.328 -0.017 0.000 1.091 247 H CA 1.692 57.709 56.048 -0.052 0.000 1.274 247 H CB -0.340 29.353 29.762 -0.115 0.000 1.364 247 H HN 0.261 nan 8.280 nan 0.000 0.490 248 L N -0.978 120.204 121.223 -0.069 0.000 2.201 248 L HA -0.127 4.211 4.340 -0.004 0.000 0.212 248 L C 2.070 178.940 176.870 -0.001 0.000 1.105 248 L CA 0.819 55.617 54.840 -0.070 0.000 0.775 248 L CB -0.385 41.688 42.059 0.024 0.000 0.913 248 L HN 0.304 nan 8.230 nan 0.000 0.440 249 F N 1.459 121.342 119.950 -0.112 0.000 2.234 249 F HA -0.176 4.348 4.527 -0.004 0.000 0.296 249 F C 2.462 178.204 175.800 -0.097 0.000 1.089 249 F CA 1.565 59.513 58.000 -0.087 0.000 1.343 249 F CB -0.107 38.855 39.000 -0.063 0.000 1.040 249 F HN 0.139 nan 8.300 nan 0.000 0.498 250 E N 0.445 120.550 120.200 -0.160 0.000 2.118 250 E HA -0.236 4.112 4.350 -0.004 0.000 0.195 250 E C 1.813 178.259 176.600 -0.257 0.000 0.992 250 E CA 2.108 58.367 56.400 -0.235 0.000 0.804 250 E CB -0.550 29.063 29.700 -0.145 0.000 0.741 250 E HN 0.589 nan 8.360 nan 0.000 0.458 251 E N 0.351 120.402 120.200 -0.249 0.000 2.047 251 E HA -0.135 4.212 4.350 -0.004 0.000 0.191 251 E C 2.213 178.705 176.600 -0.180 0.000 0.987 251 E CA 0.899 57.176 56.400 -0.205 0.000 0.799 251 E CB -0.272 29.301 29.700 -0.210 0.000 0.752 251 E HN 0.449 nan 8.360 nan 0.000 0.449 252 A N 1.530 124.238 122.820 -0.186 0.000 1.883 252 A HA -0.202 4.116 4.320 -0.004 0.000 0.217 252 A C 2.244 179.678 177.584 -0.250 0.000 1.186 252 A CA 1.291 53.227 52.037 -0.168 0.000 0.624 252 A CB -0.791 18.161 19.000 -0.080 0.000 0.822 252 A HN 0.127 nan 8.150 nan 0.000 0.444 253 L N -1.263 119.702 121.223 -0.431 0.000 2.046 253 L HA -0.206 4.132 4.340 -0.004 0.000 0.208 253 L C 2.667 179.406 176.870 -0.218 0.000 1.077 253 L CA 1.790 56.399 54.840 -0.385 0.000 0.747 253 L CB -0.482 41.273 42.059 -0.506 0.000 0.896 253 L HN 0.384 nan 8.230 nan 0.000 0.432 254 E N -0.332 119.753 120.200 -0.192 0.000 2.077 254 E HA -0.219 4.129 4.350 -0.004 0.000 0.193 254 E C 2.336 178.876 176.600 -0.099 0.000 0.989 254 E CA 1.367 57.690 56.400 -0.128 0.000 0.800 254 E CB -0.110 29.520 29.700 -0.116 0.000 0.746 254 E HN 0.227 nan 8.360 nan 0.000 0.452 255 S N -0.371 115.268 115.700 -0.101 0.000 2.507 255 S HA -0.032 4.436 4.470 -0.004 0.000 0.235 255 S C 0.934 175.496 174.600 -0.065 0.000 0.988 255 S CA 0.688 58.844 58.200 -0.072 0.000 0.944 255 S CB -0.185 62.975 63.200 -0.066 0.000 0.762 255 S HN 0.222 nan 8.310 nan 0.000 0.526 256 N N 0.384 119.035 118.700 -0.082 0.000 2.275 256 N HA 0.212 4.950 4.740 -0.004 0.000 0.236 256 N C 0.816 176.290 175.510 -0.061 0.000 1.154 256 N CA 0.606 53.617 53.050 -0.066 0.000 0.866 256 N CB 0.875 39.320 38.487 -0.069 0.000 1.093 256 N HN 0.501 nan 8.380 nan 0.000 0.515 257 G N 0.303 109.067 108.800 -0.061 0.000 2.143 257 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.249 257 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.249 257 G C -0.070 174.797 174.900 -0.055 0.000 0.981 257 G CA 0.044 45.114 45.100 -0.050 0.000 0.665 257 G HN 0.187 nan 8.290 nan 0.000 0.528 258 V N 1.715 121.583 119.914 -0.077 0.000 2.347 258 V HA 0.553 4.671 4.120 -0.004 0.000 0.280 258 V C 0.648 176.690 176.094 -0.087 0.000 1.021 258 V CA -0.112 62.139 62.300 -0.080 0.000 0.847 258 V CB 1.537 33.297 31.823 -0.104 0.000 0.990 258 V HN 0.294 nan 8.190 nan 0.000 0.444 259 T N 4.812 119.328 114.554 -0.064 0.000 2.817 259 T HA 0.463 4.811 4.350 -0.004 0.000 0.293 259 T C -0.112 174.551 174.700 -0.061 0.000 0.964 259 T CA -0.281 61.784 62.100 -0.059 0.000 1.085 259 T CB 1.361 70.205 68.868 -0.041 0.000 0.921 259 T HN 0.362 nan 8.240 nan 0.000 0.502 260 V N 5.342 125.215 119.914 -0.068 0.000 2.334 260 V HA 0.257 4.375 4.120 -0.004 0.000 0.281 260 V C 0.990 177.054 176.094 -0.050 0.000 1.016 260 V CA -0.762 61.499 62.300 -0.065 0.000 0.832 260 V CB 1.309 33.079 31.823 -0.089 0.000 0.999 260 V HN 0.784 nan 8.190 nan 0.000 0.439 261 K N 2.950 123.328 120.400 -0.038 0.000 2.186 261 K HA 0.160 4.478 4.320 -0.004 0.000 0.202 261 K C 1.150 177.733 176.600 -0.029 0.000 1.052 261 K CA 0.809 57.079 56.287 -0.027 0.000 0.965 261 K CB 0.335 32.825 32.500 -0.016 0.000 0.746 261 K HN 0.715 nan 8.250 nan 0.000 0.457 262 G N 1.120 109.896 108.800 -0.041 0.000 2.695 262 G HA2 0.183 4.141 3.960 -0.004 0.000 0.213 262 G HA3 0.183 4.141 3.960 -0.004 0.000 0.213 262 G C -0.559 174.299 174.900 -0.069 0.000 1.406 262 G CA -0.450 44.620 45.100 -0.050 0.000 1.049 262 G HN -0.046 nan 8.290 nan 0.000 0.573 263 D N -0.986 119.355 120.400 -0.099 0.000 2.332 263 D HA 0.481 5.119 4.640 -0.004 0.000 0.252 263 D C -0.417 175.780 176.300 -0.173 0.000 1.050 263 D CA -0.095 53.844 54.000 -0.101 0.000 0.970 263 D CB 2.161 42.915 40.800 -0.077 0.000 1.141 263 D HN 0.031 nan 8.370 nan 0.000 0.485 264 V N 0.011 119.859 119.914 -0.109 0.000 2.513 264 V HA 0.797 4.915 4.120 -0.004 0.000 0.299 264 V C 0.686 176.733 176.094 -0.078 0.000 1.035 264 V CA -0.340 61.889 62.300 -0.118 0.000 0.889 264 V CB 1.447 33.266 31.823 -0.007 0.000 0.988 264 V HN 0.790 nan 8.190 nan 0.000 0.440 265 G N 2.957 111.690 108.800 -0.111 0.000 2.554 265 G HA2 0.573 4.531 3.960 -0.004 0.000 0.306 265 G HA3 0.573 4.531 3.960 -0.004 0.000 0.306 265 G C -1.639 173.332 174.900 0.119 0.000 1.320 265 G CA -0.958 44.159 45.100 0.027 0.000 0.800 265 G HN 0.574 nan 8.290 nan 0.000 0.481 266 L N 0.237 121.564 121.223 0.173 0.000 2.375 266 L HA 0.718 5.056 4.340 -0.004 0.000 0.271 266 L C 0.779 177.810 176.870 0.269 0.000 1.107 266 L CA -0.040 54.914 54.840 0.189 0.000 0.806 266 L CB 1.312 43.446 42.059 0.124 0.000 1.146 266 L HN 0.990 nan 8.230 nan 0.000 0.447 267 G N 0.744 109.667 108.800 0.206 0.000 2.473 267 G HA2 0.463 4.421 3.960 -0.004 0.000 0.298 267 G HA3 0.463 4.421 3.960 -0.004 0.000 0.298 267 G C -1.125 173.846 174.900 0.118 0.000 1.575 267 G CA -0.359 44.771 45.100 0.050 0.000 0.846 267 G HN 0.796 nan 8.290 nan 0.000 0.585 268 G N -0.569 108.220 108.800 -0.018 0.000 2.412 268 G HA2 0.593 4.551 3.960 -0.004 0.000 0.318 268 G HA3 0.593 4.551 3.960 -0.004 0.000 0.318 268 G C 0.232 174.852 174.900 -0.466 0.000 1.146 268 G CA -0.509 44.517 45.100 -0.123 0.000 0.882 268 G HN 1.152 nan 8.290 nan 0.000 0.501 269 V N 3.036 122.477 119.914 -0.789 0.000 2.539 269 V HA 0.009 4.126 4.120 -0.004 0.000 0.300 269 V C -1.498 174.045 176.094 -0.919 0.000 1.019 269 V CA -0.536 60.943 62.300 -1.369 0.000 1.160 269 V CB 0.387 31.670 31.823 -0.900 0.000 0.901 269 V HN 0.561 nan 8.190 nan 0.000 0.481 270 P HA 0.133 nan 4.420 nan 0.000 0.268 270 P C 0.680 177.782 177.300 -0.330 0.000 1.204 270 P CA 0.095 62.850 63.100 -0.575 0.000 0.768 270 P CB 0.761 32.154 31.700 -0.512 0.000 0.842 271 A N 2.934 125.654 122.820 -0.167 0.000 1.986 271 A HA -0.251 4.067 4.320 -0.004 0.000 0.220 271 A C 1.765 179.358 177.584 0.015 0.000 1.171 271 A CA 1.959 53.957 52.037 -0.064 0.000 0.640 271 A CB -1.207 17.766 19.000 -0.045 0.000 0.811 271 A HN 0.490 nan 8.150 nan 0.000 0.451 272 D N -1.288 119.142 120.400 0.050 0.000 2.158 272 D HA -0.135 4.503 4.640 -0.004 0.000 0.197 272 D C 0.080 176.535 176.300 0.260 0.000 0.995 272 D CA 0.763 54.853 54.000 0.151 0.000 0.846 272 D CB -0.236 40.687 40.800 0.204 0.000 0.941 272 D HN 0.597 nan 8.370 nan 0.000 0.456 273 W N 1.651 122.920 121.300 -0.050 0.000 2.469 273 W HA 0.157 4.815 4.660 -0.003 0.000 0.321 273 W C 1.524 178.022 176.519 -0.036 0.000 1.415 273 W CA -0.339 56.978 57.345 -0.046 0.000 1.308 273 W CB 0.155 29.569 29.460 -0.078 0.000 1.368 273 W HN -0.032 nan 8.180 nan 0.000 0.546 274 Q N 1.287 121.154 119.800 0.112 0.000 2.096 274 Q HA -0.104 4.234 4.340 -0.004 0.000 0.197 274 Q C 0.149 176.177 176.000 0.046 0.000 0.964 274 Q CA 1.475 57.312 55.803 0.057 0.000 0.838 274 Q CB 0.103 28.850 28.738 0.015 0.000 0.906 274 Q HN 0.341 nan 8.270 nan 0.000 0.444 275 D N -0.800 119.615 120.400 0.026 0.000 2.668 275 D HA 0.312 4.950 4.640 -0.004 0.000 0.247 275 D C -1.428 174.882 176.300 0.017 0.000 1.268 275 D CA -0.118 53.894 54.000 0.020 0.000 0.842 275 D CB 0.125 40.921 40.800 -0.007 0.000 1.399 275 D HN 0.187 nan 8.370 nan 0.000 0.530 276 A N 2.006 124.887 122.820 0.102 0.000 2.584 276 A HA 0.187 4.505 4.320 -0.004 0.000 0.239 276 A C 0.512 178.138 177.584 0.071 0.000 1.043 276 A CA 0.332 52.464 52.037 0.158 0.000 0.756 276 A CB 0.200 19.381 19.000 0.301 0.000 0.963 276 A HN 0.430 nan 8.150 nan 0.000 0.511 277 E N 2.405 122.625 120.200 0.034 0.000 2.089 277 E HA 0.413 4.761 4.350 -0.004 0.000 0.284 277 E C -0.783 175.857 176.600 0.067 0.000 1.023 277 E CA -0.249 56.166 56.400 0.026 0.000 0.819 277 E CB 0.791 30.484 29.700 -0.012 0.000 1.076 277 E HN 0.361 nan 8.360 nan 0.000 0.396 278 V N 7.430 127.376 119.914 0.053 0.000 2.427 278 V HA 0.075 4.193 4.120 -0.004 0.000 0.268 278 V C 0.984 177.107 176.094 0.049 0.000 1.046 278 V CA 0.074 62.407 62.300 0.056 0.000 0.970 278 V CB 0.685 32.525 31.823 0.028 0.000 1.001 278 V HN 0.802 nan 8.190 nan 0.000 0.476 279 L N 4.102 125.367 121.223 0.070 0.000 2.590 279 L HA 0.607 4.945 4.340 -0.004 0.000 0.227 279 L C 0.748 177.659 176.870 0.070 0.000 1.099 279 L CA 0.431 55.312 54.840 0.068 0.000 0.872 279 L CB 0.266 42.377 42.059 0.086 0.000 1.088 279 L HN 0.739 nan 8.230 nan 0.000 0.479 280 A N 0.356 123.216 122.820 0.066 0.000 2.594 280 A HA 0.574 4.892 4.320 -0.004 0.000 0.296 280 A C -1.875 175.726 177.584 0.029 0.000 1.056 280 A CA -0.697 51.376 52.037 0.060 0.000 0.693 280 A CB 1.288 20.351 19.000 0.103 0.000 1.278 280 A HN 0.108 nan 8.150 nan 0.000 0.408 281 D N 0.207 120.622 120.400 0.025 0.000 2.583 281 D HA 0.619 5.257 4.640 -0.004 0.000 0.248 281 D C -1.157 175.179 176.300 0.061 0.000 1.209 281 D CA -0.310 53.694 54.000 0.008 0.000 0.848 281 D CB 1.868 42.651 40.800 -0.028 0.000 1.431 281 D HN 0.667 nan 8.370 nan 0.000 0.436 282 H N -1.152 117.876 119.070 -0.071 0.000 2.894 282 H HA 0.509 5.062 4.556 -0.004 0.000 0.367 282 H C -1.512 173.771 175.328 -0.076 0.000 1.144 282 H CA -0.111 55.900 56.048 -0.062 0.000 1.180 282 H CB 2.360 32.086 29.762 -0.059 0.000 1.758 282 H HN 0.311 nan 8.280 nan 0.000 0.541 283 T N 3.137 117.232 114.554 -0.766 0.000 2.824 283 T HA 0.368 4.716 4.350 -0.004 0.000 0.282 283 T C -0.271 174.028 174.700 -0.668 0.000 0.993 283 T CA -0.666 61.113 62.100 -0.534 0.000 0.967 283 T CB 1.010 69.687 68.868 -0.318 0.000 0.960 283 T HN 0.733 nan 8.240 nan 0.000 0.441 284 S N 2.368 117.887 115.700 -0.302 0.000 2.624 284 S HA 0.685 5.153 4.470 -0.004 0.000 0.263 284 S C 0.785 175.324 174.600 -0.103 0.000 1.287 284 S CA -0.749 57.378 58.200 -0.122 0.000 0.990 284 S CB 0.413 63.637 63.200 0.040 0.000 0.950 284 S HN 0.973 nan 8.310 nan 0.000 0.561 285 A N 0.825 123.620 122.820 -0.041 0.000 2.475 285 A HA 0.263 4.581 4.320 -0.004 0.000 0.239 285 A C 0.538 178.121 177.584 -0.002 0.000 1.087 285 A CA -0.257 51.773 52.037 -0.013 0.000 0.779 285 A CB -0.473 18.543 19.000 0.027 0.000 1.036 285 A HN 0.890 nan 8.150 nan 0.000 0.506 286 E N -0.494 119.708 120.200 0.003 0.000 2.374 286 E HA 0.177 4.525 4.350 -0.004 0.000 0.260 286 E C 0.868 177.512 176.600 0.073 0.000 1.101 286 E CA -0.537 55.865 56.400 0.004 0.000 0.907 286 E CB 0.589 30.289 29.700 -0.001 0.000 1.014 286 E HN 0.583 nan 8.360 nan 0.000 0.427 287 L N 2.630 123.910 121.223 0.097 0.000 2.081 287 L HA -0.265 4.073 4.340 -0.004 0.000 0.212 287 L C 2.184 179.144 176.870 0.150 0.000 1.080 287 L CA 2.382 57.320 54.840 0.162 0.000 0.754 287 L CB -0.718 41.437 42.059 0.161 0.000 0.893 287 L HN 0.688 nan 8.230 nan 0.000 0.433 288 S N -1.111 114.663 115.700 0.123 0.000 2.380 288 S HA -0.232 4.236 4.470 -0.004 0.000 0.229 288 S C 1.785 176.472 174.600 0.145 0.000 1.043 288 S CA 1.466 59.747 58.200 0.134 0.000 1.038 288 S CB -0.691 62.581 63.200 0.119 0.000 0.872 288 S HN 0.588 nan 8.310 nan 0.000 0.456 289 E N 1.301 121.582 120.200 0.134 0.000 2.122 289 E HA 0.217 4.564 4.350 -0.004 0.000 0.190 289 E C 2.120 178.841 176.600 0.201 0.000 0.977 289 E CA 0.511 57.001 56.400 0.151 0.000 0.820 289 E CB -0.535 29.238 29.700 0.121 0.000 0.770 289 E HN 0.611 nan 8.360 nan 0.000 0.462 290 I N 1.075 121.754 120.570 0.181 0.000 2.454 290 I HA -0.230 3.937 4.170 -0.004 0.000 0.254 290 I C 2.258 178.564 176.117 0.315 0.000 1.156 290 I CA 0.623 62.039 61.300 0.194 0.000 1.433 290 I CB -0.148 37.907 38.000 0.092 0.000 1.082 290 I HN 0.057 nan 8.210 nan 0.000 0.432 291 L N -0.145 121.262 121.223 0.306 0.000 2.079 291 L HA -0.219 4.119 4.340 -0.004 0.000 0.210 291 L C 2.550 179.587 176.870 0.278 0.000 1.081 291 L CA 1.133 56.196 54.840 0.371 0.000 0.752 291 L CB -0.553 41.659 42.059 0.255 0.000 0.896 291 L HN 0.134 nan 8.230 nan 0.000 0.433 292 V N 0.707 120.765 119.914 0.240 0.000 2.214 292 V HA -0.208 3.909 4.120 -0.004 0.000 0.247 292 V C -0.137 176.062 176.094 0.176 0.000 1.051 292 V CA 2.320 64.727 62.300 0.179 0.000 1.003 292 V CB -2.100 29.870 31.823 0.244 0.000 0.635 292 V HN 0.369 nan 8.190 nan 0.000 0.447 293 P HA -0.204 nan 4.420 nan 0.000 0.220 293 P C 1.770 179.329 177.300 0.432 0.000 1.148 293 P CA 1.700 65.091 63.100 0.485 0.000 0.803 293 P CB -0.197 31.984 31.700 0.801 0.000 0.782 294 F N 0.508 120.664 119.950 0.343 0.000 2.051 294 F HA -0.172 4.353 4.527 -0.004 0.000 0.296 294 F C 2.090 177.941 175.800 0.085 0.000 1.122 294 F CA 1.467 59.640 58.000 0.289 0.000 1.201 294 F CB -0.300 38.952 39.000 0.420 0.000 0.978 294 F HN -0.290 nan 8.300 nan 0.000 0.472 295 M N 0.124 119.505 119.600 -0.366 0.000 2.394 295 M HA -0.037 4.440 4.480 -0.004 0.000 0.266 295 M C 1.862 177.922 176.300 -0.400 0.000 1.098 295 M CA 0.873 55.834 55.300 -0.565 0.000 1.149 295 M CB -0.758 31.523 32.600 -0.532 0.000 1.369 295 M HN 0.094 nan 8.290 nan 0.000 0.450 296 K N 0.365 120.506 120.400 -0.432 0.000 2.057 296 K HA -0.037 4.280 4.320 -0.004 0.000 0.206 296 K C 1.547 177.747 176.600 -0.666 0.000 1.050 296 K CA 1.398 57.288 56.287 -0.661 0.000 0.935 296 K CB -0.296 31.570 32.500 -1.057 0.000 0.715 296 K HN 0.297 nan 8.250 nan 0.000 0.439 297 F N 0.222 120.071 119.950 -0.169 0.000 2.678 297 F HA 0.240 4.765 4.527 -0.004 0.000 0.305 297 F C 0.594 176.326 175.800 -0.114 0.000 1.090 297 F CA -0.494 57.414 58.000 -0.153 0.000 1.272 297 F CB 0.024 38.918 39.000 -0.177 0.000 1.060 297 F HN -0.211 nan 8.300 nan 0.000 0.576 298 S N 1.283 116.971 115.700 -0.020 0.000 3.866 298 S HA -0.287 4.181 4.470 -0.004 0.000 0.427 298 S C -0.010 174.635 174.600 0.075 0.000 0.891 298 S CA 0.039 58.217 58.200 -0.037 0.000 1.275 298 S CB -1.950 61.217 63.200 -0.056 0.000 0.872 298 S HN 0.605 nan 8.310 nan 0.000 0.562 299 N N 1.634 120.436 118.700 0.171 0.000 2.401 299 N HA 0.324 5.062 4.740 -0.004 0.000 0.255 299 N C 1.155 176.822 175.510 0.262 0.000 1.110 299 N CA -0.509 52.625 53.050 0.141 0.000 0.949 299 N CB 0.398 38.783 38.487 -0.171 0.000 1.110 299 N HN 0.372 nan 8.380 nan 0.000 0.490 300 N N 2.526 121.333 118.700 0.178 0.000 2.142 300 N HA -0.082 4.656 4.740 -0.004 0.000 0.186 300 N C 1.792 177.452 175.510 0.250 0.000 1.023 300 N CA 1.094 54.267 53.050 0.205 0.000 0.852 300 N CB -0.474 38.073 38.487 0.101 0.000 0.998 300 N HN 0.688 nan 8.380 nan 0.000 0.424 301 G N 0.511 109.436 108.800 0.209 0.000 2.446 301 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.217 301 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.217 301 G C 1.293 176.338 174.900 0.241 0.000 1.168 301 G CA 0.888 46.134 45.100 0.244 0.000 0.771 301 G HN 0.482 nan 8.290 nan 0.000 0.551 302 H N 0.538 119.629 119.070 0.034 0.000 2.319 302 H HA -0.069 4.485 4.556 -0.004 0.000 0.299 302 H C 3.046 178.133 175.328 -0.402 0.000 1.092 302 H CA 0.629 56.544 56.048 -0.223 0.000 1.302 302 H CB 0.053 29.622 29.762 -0.322 0.000 1.373 302 H HN 0.443 nan 8.280 nan 0.000 0.497 303 A N 1.496 124.247 122.820 -0.115 0.000 1.865 303 A HA -0.212 4.106 4.320 -0.004 0.000 0.217 303 A C 2.216 179.860 177.584 0.100 0.000 1.191 303 A CA 1.841 53.888 52.037 0.016 0.000 0.623 303 A CB -0.239 18.991 19.000 0.382 0.000 0.826 303 A HN 0.369 nan 8.150 nan 0.000 0.444 304 E N -0.295 120.036 120.200 0.219 0.000 2.106 304 E HA -0.156 4.192 4.350 -0.004 0.000 0.192 304 E C 2.113 178.665 176.600 -0.079 0.000 0.984 304 E CA 1.249 57.803 56.400 0.257 0.000 0.806 304 E CB -0.541 29.484 29.700 0.542 0.000 0.750 304 E HN 0.736 nan 8.360 nan 0.000 0.458 305 M N 0.389 119.960 119.600 -0.049 0.000 2.086 305 M HA -0.129 4.348 4.480 -0.004 0.000 0.261 305 M C 2.481 178.703 176.300 -0.130 0.000 1.067 305 M CA 1.294 56.550 55.300 -0.073 0.000 1.116 305 M CB -0.399 32.237 32.600 0.060 0.000 1.348 305 M HN 0.049 nan 8.290 nan 0.000 0.407 306 L N -0.614 120.533 121.223 -0.128 0.000 2.079 306 L HA -0.201 4.137 4.340 -0.004 0.000 0.210 306 L C 2.453 179.282 176.870 -0.068 0.000 1.081 306 L CA 0.875 55.667 54.840 -0.080 0.000 0.752 306 L CB -0.742 41.239 42.059 -0.131 0.000 0.896 306 L HN 0.137 nan 8.230 nan 0.000 0.433 307 V N 0.103 119.966 119.914 -0.085 0.000 2.255 307 V HA -0.322 3.796 4.120 -0.004 0.000 0.247 307 V C 2.467 178.422 176.094 -0.232 0.000 1.051 307 V CA 1.925 64.179 62.300 -0.076 0.000 1.018 307 V CB -0.490 31.364 31.823 0.053 0.000 0.641 307 V HN 0.445 nan 8.190 nan 0.000 0.445 308 K N -0.265 119.821 120.400 -0.522 0.000 2.148 308 K HA -0.088 4.230 4.320 -0.004 0.000 0.204 308 K C 2.383 178.664 176.600 -0.533 0.000 1.050 308 K CA 1.412 57.205 56.287 -0.824 0.000 0.942 308 K CB -0.258 31.232 32.500 -1.684 0.000 0.724 308 K HN 0.366 nan 8.250 nan 0.000 0.446 309 S N 1.563 117.145 115.700 -0.196 0.000 2.368 309 S HA -0.102 4.365 4.470 -0.004 0.000 0.225 309 S C 1.957 176.599 174.600 0.069 0.000 1.030 309 S CA 1.036 59.377 58.200 0.236 0.000 0.999 309 S CB -0.205 63.255 63.200 0.433 0.000 0.844 309 S HN 0.208 nan 8.310 nan 0.000 0.459 310 I N 1.392 121.949 120.570 -0.023 0.000 2.208 310 I HA -0.180 3.987 4.170 -0.004 0.000 0.245 310 I C 2.663 178.744 176.117 -0.060 0.000 1.097 310 I CA 1.231 62.507 61.300 -0.039 0.000 1.363 310 I CB -0.792 37.189 38.000 -0.032 0.000 1.051 310 I HN 0.379 nan 8.210 nan 0.000 0.413 311 G N -0.304 108.431 108.800 -0.109 0.000 2.422 311 G HA2 -0.231 3.727 3.960 -0.004 0.000 0.218 311 G HA3 -0.231 3.727 3.960 -0.004 0.000 0.218 311 G C 1.609 176.424 174.900 -0.142 0.000 1.146 311 G CA 0.327 45.349 45.100 -0.130 0.000 0.769 311 G HN 0.277 nan 8.290 nan 0.000 0.547 312 Q N 0.043 119.748 119.800 -0.159 0.000 2.016 312 Q HA -0.083 4.255 4.340 -0.004 0.000 0.200 312 Q C 2.490 178.435 176.000 -0.092 0.000 0.978 312 Q CA 1.583 57.254 55.803 -0.219 0.000 0.833 312 Q CB -0.362 28.178 28.738 -0.330 0.000 0.895 312 Q HN 0.532 nan 8.270 nan 0.000 0.427 313 E N 0.205 120.400 120.200 -0.008 0.000 2.038 313 E HA -0.144 4.203 4.350 -0.004 0.000 0.195 313 E C 1.887 178.483 176.600 -0.006 0.000 1.000 313 E CA 2.300 58.711 56.400 0.018 0.000 0.803 313 E CB -0.273 29.429 29.700 0.003 0.000 0.750 313 E HN 0.456 nan 8.360 nan 0.000 0.448 314 T N -3.052 111.488 114.554 -0.025 0.000 2.985 314 T HA 0.202 4.550 4.350 -0.004 0.000 0.266 314 T C 1.387 176.069 174.700 -0.029 0.000 1.076 314 T CA 1.024 63.112 62.100 -0.020 0.000 1.135 314 T CB 0.206 69.062 68.868 -0.019 0.000 0.890 314 T HN 0.179 nan 8.240 nan 0.000 0.480 315 A N -0.368 122.422 122.820 -0.051 0.000 2.733 315 A HA 0.675 4.993 4.320 -0.004 0.000 0.232 315 A C 1.533 179.066 177.584 -0.085 0.000 1.251 315 A CA 0.417 52.419 52.037 -0.059 0.000 1.015 315 A CB -0.238 18.726 19.000 -0.059 0.000 1.291 315 A HN 1.340 nan 8.150 nan 0.000 0.595 316 G N -0.398 108.331 108.800 -0.117 0.000 2.273 316 G HA2 0.196 4.154 3.960 -0.004 0.000 0.280 316 G HA3 0.196 4.154 3.960 -0.004 0.000 0.280 316 G C 0.260 175.030 174.900 -0.215 0.000 1.047 316 G CA 0.517 45.511 45.100 -0.177 0.000 0.869 316 G HN 1.985 nan 8.290 nan 0.000 0.502 317 A N -0.306 122.383 122.820 -0.218 0.000 2.569 317 A HA 0.765 5.083 4.320 -0.004 0.000 0.282 317 A C 0.544 177.987 177.584 -0.236 0.000 1.165 317 A CA 0.489 52.406 52.037 -0.200 0.000 0.747 317 A CB 1.000 19.921 19.000 -0.132 0.000 1.215 317 A HN 1.739 nan 8.150 nan 0.000 0.431 318 G N 1.917 110.561 108.800 -0.260 0.000 2.852 318 G HA2 0.461 4.418 3.960 -0.004 0.000 0.280 318 G HA3 0.461 4.418 3.960 -0.004 0.000 0.280 318 G C -0.067 174.609 174.900 -0.374 0.000 0.731 318 G CA 0.411 45.345 45.100 -0.276 0.000 2.037 318 G HN 0.602 nan 8.290 nan 0.000 0.560 319 T N 0.537 114.864 114.554 -0.379 0.000 2.916 319 T HA 0.229 4.577 4.350 -0.004 0.000 0.305 319 T C 0.262 174.811 174.700 -0.252 0.000 1.119 319 T CA -0.636 61.297 62.100 -0.278 0.000 1.008 319 T CB 1.445 70.229 68.868 -0.140 0.000 1.129 319 T HN 0.388 nan 8.240 nan 0.000 0.480 320 W N 1.288 122.484 121.300 -0.173 0.000 2.381 320 W HA -0.050 4.609 4.660 -0.002 0.000 0.301 320 W C 1.525 177.975 176.519 -0.114 0.000 1.205 320 W CA 0.996 58.249 57.345 -0.153 0.000 1.285 320 W CB -0.351 29.012 29.460 -0.161 0.000 1.133 320 W HN 0.756 nan 8.180 nan 0.000 0.521 321 D N -0.118 120.352 120.400 0.117 0.000 2.104 321 D HA -0.144 4.494 4.640 -0.004 0.000 0.194 321 D C 2.260 178.569 176.300 0.015 0.000 0.994 321 D CA 2.155 56.184 54.000 0.047 0.000 0.830 321 D CB -0.774 40.039 40.800 0.021 0.000 0.959 321 D HN 0.003 nan 8.370 nan 0.000 0.452 322 A N 0.549 123.360 122.820 -0.016 0.000 1.873 322 A HA 0.032 4.350 4.320 -0.004 0.000 0.215 322 A C 2.379 179.943 177.584 -0.034 0.000 1.186 322 A CA 2.016 54.031 52.037 -0.037 0.000 0.616 322 A CB -1.070 17.888 19.000 -0.069 0.000 0.823 322 A HN 0.300 nan 8.150 nan 0.000 0.442 323 G N -0.336 108.435 108.800 -0.049 0.000 2.418 323 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.217 323 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.217 323 G C 1.348 176.260 174.900 0.020 0.000 1.158 323 G CA 1.124 46.199 45.100 -0.042 0.000 0.771 323 G HN 0.320 nan 8.290 nan 0.000 0.545 324 L N 0.604 121.860 121.223 0.055 0.000 2.056 324 L HA 0.036 4.373 4.340 -0.004 0.000 0.207 324 L C 3.160 180.047 176.870 0.029 0.000 1.078 324 L CA 0.731 55.606 54.840 0.058 0.000 0.749 324 L CB -1.124 40.971 42.059 0.060 0.000 0.901 324 L HN 0.106 nan 8.230 nan 0.000 0.433 325 V N 0.083 120.007 119.914 0.016 0.000 2.343 325 V HA -0.224 3.894 4.120 -0.004 0.000 0.247 325 V C 2.640 178.741 176.094 0.011 0.000 1.051 325 V CA 1.758 64.063 62.300 0.008 0.000 1.036 325 V CB -1.367 30.456 31.823 0.000 0.000 0.654 325 V HN 0.552 nan 8.190 nan 0.000 0.451 326 G N -0.069 108.736 108.800 0.007 0.000 2.476 326 G HA2 -0.247 3.711 3.960 -0.004 0.000 0.218 326 G HA3 -0.247 3.711 3.960 -0.004 0.000 0.218 326 G C 1.674 176.590 174.900 0.026 0.000 1.164 326 G CA 1.395 46.499 45.100 0.008 0.000 0.768 326 G HN 0.394 nan 8.290 nan 0.000 0.560 327 V N 0.461 120.398 119.914 0.039 0.000 2.295 327 V HA -0.156 3.961 4.120 -0.004 0.000 0.246 327 V C 2.723 178.858 176.094 0.068 0.000 1.049 327 V CA 2.092 64.432 62.300 0.066 0.000 1.024 327 V CB -0.319 31.559 31.823 0.091 0.000 0.648 327 V HN 0.382 nan 8.190 nan 0.000 0.447 328 E N -0.152 120.074 120.200 0.044 0.000 2.051 328 E HA -0.220 4.128 4.350 -0.004 0.000 0.192 328 E C 2.359 178.982 176.600 0.039 0.000 0.991 328 E CA 1.135 57.555 56.400 0.033 0.000 0.799 328 E CB -0.086 29.620 29.700 0.010 0.000 0.748 328 E HN 0.508 nan 8.360 nan 0.000 0.449 329 E N 0.288 120.507 120.200 0.032 0.000 2.085 329 E HA -0.166 4.182 4.350 -0.004 0.000 0.194 329 E C 1.910 178.537 176.600 0.043 0.000 0.994 329 E CA 1.060 57.478 56.400 0.031 0.000 0.801 329 E CB -0.274 29.439 29.700 0.021 0.000 0.743 329 E HN 0.270 nan 8.360 nan 0.000 0.453 330 A N 0.886 123.737 122.820 0.051 0.000 1.902 330 A HA -0.149 4.169 4.320 -0.004 0.000 0.217 330 A C 2.415 180.052 177.584 0.088 0.000 1.181 330 A CA 1.159 53.235 52.037 0.066 0.000 0.623 330 A CB -0.682 18.354 19.000 0.061 0.000 0.818 330 A HN 0.218 nan 8.150 nan 0.000 0.443 331 L N -0.706 120.576 121.223 0.099 0.000 2.093 331 L HA -0.149 4.189 4.340 -0.004 0.000 0.208 331 L C 2.860 179.785 176.870 0.092 0.000 1.085 331 L CA 1.316 56.230 54.840 0.123 0.000 0.755 331 L CB -0.436 41.727 42.059 0.173 0.000 0.904 331 L HN 0.320 nan 8.230 nan 0.000 0.435 332 S N 0.093 115.833 115.700 0.068 0.000 2.348 332 S HA -0.142 4.326 4.470 -0.004 0.000 0.221 332 S C 2.003 176.629 174.600 0.043 0.000 1.033 332 S CA 1.389 59.618 58.200 0.049 0.000 1.010 332 S CB -0.602 62.620 63.200 0.036 0.000 0.891 332 S HN 0.604 nan 8.310 nan 0.000 0.442 333 G N 0.842 109.669 108.800 0.045 0.000 2.470 333 G HA2 -0.133 3.825 3.960 -0.004 0.000 0.220 333 G HA3 -0.133 3.825 3.960 -0.004 0.000 0.220 333 G C 1.250 176.173 174.900 0.040 0.000 1.121 333 G CA 0.451 45.575 45.100 0.040 0.000 0.766 333 G HN 0.413 nan 8.290 nan 0.000 0.553 334 L N 0.288 121.543 121.223 0.054 0.000 2.478 334 L HA 0.323 4.660 4.340 -0.004 0.000 0.223 334 L C 1.966 178.843 176.870 0.011 0.000 1.140 334 L CA 1.456 56.321 54.840 0.041 0.000 0.842 334 L CB 0.058 42.167 42.059 0.083 0.000 0.953 334 L HN 0.375 nan 8.230 nan 0.000 0.452 335 G N -1.517 107.297 108.800 0.022 0.000 2.163 335 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.213 335 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.213 335 G C 0.081 174.998 174.900 0.029 0.000 0.991 335 G CA 0.014 45.123 45.100 0.015 0.000 0.653 335 G HN 0.155 nan 8.290 nan 0.000 0.518 336 V N 1.321 121.264 119.914 0.049 0.000 2.498 336 V HA 0.449 4.567 4.120 -0.004 0.000 0.279 336 V C 0.428 176.561 176.094 0.065 0.000 1.048 336 V CA -0.547 61.797 62.300 0.072 0.000 0.967 336 V CB 1.710 33.606 31.823 0.123 0.000 0.988 336 V HN 0.325 nan 8.190 nan 0.000 0.473 337 D N 3.744 124.179 120.400 0.059 0.000 2.346 337 D HA 0.071 4.709 4.640 -0.004 0.000 0.260 337 D C 1.187 177.514 176.300 0.045 0.000 1.252 337 D CA 0.112 54.139 54.000 0.044 0.000 0.895 337 D CB 1.224 42.045 40.800 0.036 0.000 1.097 337 D HN 0.758 nan 8.370 nan 0.000 0.489 338 T N 0.900 115.471 114.554 0.028 0.000 3.206 338 T HA 0.325 4.673 4.350 -0.004 0.000 0.253 338 T C 1.681 176.371 174.700 -0.017 0.000 1.042 338 T CA 0.152 62.254 62.100 0.004 0.000 0.931 338 T CB 0.307 69.176 68.868 0.001 0.000 1.029 338 T HN 0.246 nan 8.240 nan 0.000 0.564 339 A N 1.842 124.659 122.820 -0.004 0.000 1.917 339 A HA 0.145 4.463 4.320 -0.004 0.000 0.219 339 A C 2.396 179.968 177.584 -0.020 0.000 1.182 339 A CA 1.594 53.626 52.037 -0.009 0.000 0.633 339 A CB -1.296 17.704 19.000 0.000 0.000 0.819 339 A HN 0.658 nan 8.150 nan 0.000 0.448 340 G N -1.699 107.087 108.800 -0.023 0.000 3.189 340 G HA2 0.406 4.363 3.960 -0.004 0.000 0.225 340 G HA3 0.406 4.363 3.960 -0.004 0.000 0.225 340 G C 0.281 175.139 174.900 -0.071 0.000 1.159 340 G CA -0.345 44.736 45.100 -0.032 0.000 0.763 340 G HN 0.354 nan 8.290 nan 0.000 0.549 341 L N 1.931 123.091 121.223 -0.105 0.000 2.265 341 L HA 0.383 4.721 4.340 -0.004 0.000 0.288 341 L C -0.618 176.175 176.870 -0.128 0.000 1.058 341 L CA -0.478 54.252 54.840 -0.184 0.000 0.809 341 L CB 1.830 43.729 42.059 -0.268 0.000 1.179 341 L HN -0.182 nan 8.230 nan 0.000 0.429 342 V N 6.217 126.059 119.914 -0.120 0.000 2.370 342 V HA 0.356 4.474 4.120 -0.004 0.000 0.283 342 V C 0.099 176.140 176.094 -0.090 0.000 1.023 342 V CA -0.479 61.771 62.300 -0.083 0.000 0.857 342 V CB 1.744 33.534 31.823 -0.055 0.000 0.985 342 V HN 0.521 nan 8.190 nan 0.000 0.443 343 L N 4.472 125.651 121.223 -0.073 0.000 2.276 343 L HA 0.503 4.841 4.340 -0.004 0.000 0.286 343 L C 0.627 177.471 176.870 -0.044 0.000 1.024 343 L CA -0.228 54.579 54.840 -0.056 0.000 0.826 343 L CB 1.187 43.221 42.059 -0.041 0.000 1.211 343 L HN 0.606 nan 8.230 nan 0.000 0.422 344 N N 1.039 119.711 118.700 -0.047 0.000 2.273 344 N HA 0.019 4.756 4.740 -0.004 0.000 0.192 344 N C -0.592 174.824 175.510 -0.157 0.000 1.132 344 N CA 0.135 53.130 53.050 -0.092 0.000 0.887 344 N CB 0.772 39.213 38.487 -0.078 0.000 1.048 344 N HN 0.810 nan 8.380 nan 0.000 0.490 345 D N -3.572 116.797 120.400 -0.051 0.000 2.779 345 D HA 0.275 4.913 4.640 -0.004 0.000 0.331 345 D C 0.775 177.169 176.300 0.156 0.000 1.331 345 D CA -0.505 53.489 54.000 -0.011 0.000 0.866 345 D CB 0.280 41.089 40.800 0.014 0.000 1.409 345 D HN -0.108 nan 8.370 nan 0.000 0.486 346 G N -0.907 108.059 108.800 0.276 0.000 2.492 346 G HA2 -0.014 3.944 3.960 -0.004 0.000 0.214 346 G HA3 -0.014 3.944 3.960 -0.004 0.000 0.214 346 G C 1.216 176.295 174.900 0.299 0.000 1.147 346 G CA 0.974 46.245 45.100 0.285 0.000 0.809 346 G HN 0.620 nan 8.290 nan 0.000 0.533 347 S N -0.589 115.300 115.700 0.316 0.000 2.414 347 S HA 0.326 4.794 4.470 -0.004 0.000 0.227 347 S C 2.015 176.714 174.600 0.165 0.000 1.022 347 S CA 1.285 59.645 58.200 0.267 0.000 0.958 347 S CB -0.097 63.252 63.200 0.248 0.000 0.797 347 S HN 1.495 nan 8.310 nan 0.000 0.493 348 G N 1.031 109.919 108.800 0.146 0.000 2.194 348 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.236 348 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.236 348 G C 0.588 175.489 174.900 0.001 0.000 0.987 348 G CA 0.275 45.418 45.100 0.072 0.000 0.635 348 G HN 0.494 nan 8.290 nan 0.000 0.520 349 L N 1.255 122.461 121.223 -0.029 0.000 2.043 349 L HA 0.050 4.388 4.340 -0.004 0.000 0.212 349 L C 1.971 178.750 176.870 -0.150 0.000 1.075 349 L CA 1.822 56.523 54.840 -0.233 0.000 0.752 349 L CB -0.333 41.368 42.059 -0.597 0.000 0.891 349 L HN 0.456 nan 8.230 nan 0.000 0.432 350 S N -0.257 115.538 115.700 0.157 0.000 2.533 350 S HA 0.014 4.481 4.470 -0.004 0.000 0.282 350 S C 1.102 175.729 174.600 0.045 0.000 1.304 350 S CA -0.314 58.013 58.200 0.212 0.000 1.063 350 S CB 0.609 63.941 63.200 0.219 0.000 0.881 350 S HN 0.287 nan 8.310 nan 0.000 0.493 351 R N 3.284 123.798 120.500 0.024 0.000 2.323 351 R HA 0.059 4.397 4.340 -0.004 0.000 0.198 351 R C 1.774 178.094 176.300 0.032 0.000 0.988 351 R CA 0.586 56.691 56.100 0.007 0.000 1.041 351 R CB -0.237 30.076 30.300 0.023 0.000 0.926 351 R HN 0.757 nan 8.270 nan 0.000 0.476 352 G N 0.168 108.989 108.800 0.035 0.000 3.042 352 G HA2 -0.046 3.912 3.960 -0.004 0.000 0.212 352 G HA3 -0.046 3.912 3.960 -0.004 0.000 0.212 352 G C 0.285 175.181 174.900 -0.007 0.000 1.166 352 G CA -0.348 44.760 45.100 0.013 0.000 0.767 352 G HN 0.141 nan 8.290 nan 0.000 0.546 353 N N 0.625 119.323 118.700 -0.003 0.000 2.530 353 N HA 0.401 5.139 4.740 -0.004 0.000 0.273 353 N C -0.672 174.822 175.510 -0.025 0.000 1.173 353 N CA 0.303 53.342 53.050 -0.018 0.000 0.967 353 N CB 1.806 40.292 38.487 -0.001 0.000 1.109 353 N HN 0.043 nan 8.380 nan 0.000 0.453 354 L N 1.134 122.328 121.223 -0.049 0.000 2.422 354 L HA 0.585 4.922 4.340 -0.004 0.000 0.264 354 L C -0.020 176.798 176.870 -0.086 0.000 0.984 354 L CA -0.978 53.834 54.840 -0.046 0.000 0.819 354 L CB 2.084 44.121 42.059 -0.036 0.000 1.330 354 L HN 0.260 nan 8.230 nan 0.000 0.410 355 V N -1.353 118.527 119.914 -0.056 0.000 3.156 355 V HA 0.901 5.019 4.120 -0.004 0.000 0.311 355 V C -0.348 175.745 176.094 -0.002 0.000 1.208 355 V CA -0.497 61.763 62.300 -0.067 0.000 1.063 355 V CB 2.029 33.852 31.823 0.001 0.000 1.098 355 V HN 0.835 nan 8.190 nan 0.000 0.452 356 T N -2.606 111.967 114.554 0.031 0.000 2.916 356 T HA 0.780 5.128 4.350 -0.004 0.000 0.292 356 T C 0.916 175.670 174.700 0.089 0.000 1.064 356 T CA -0.083 62.047 62.100 0.051 0.000 1.011 356 T CB 1.654 70.544 68.868 0.037 0.000 1.152 356 T HN 1.666 nan 8.240 nan 0.000 0.510 357 A N 0.789 123.653 122.820 0.075 0.000 1.972 357 A HA -0.025 4.293 4.320 -0.004 0.000 0.219 357 A C 1.875 179.506 177.584 0.078 0.000 1.169 357 A CA 1.612 53.696 52.037 0.078 0.000 0.635 357 A CB -0.992 18.051 19.000 0.072 0.000 0.810 357 A HN 0.885 nan 8.150 nan 0.000 0.446 358 D N -0.372 120.070 120.400 0.071 0.000 2.117 358 D HA -0.090 4.547 4.640 -0.004 0.000 0.197 358 D C 2.040 178.395 176.300 0.092 0.000 0.987 358 D CA 1.856 55.897 54.000 0.067 0.000 0.829 358 D CB -0.645 40.184 40.800 0.050 0.000 0.961 358 D HN 0.421 nan 8.370 nan 0.000 0.460 359 T N 0.642 115.270 114.554 0.124 0.000 2.746 359 T HA -0.102 4.246 4.350 -0.004 0.000 0.267 359 T C 2.289 177.173 174.700 0.308 0.000 1.039 359 T CA 0.861 63.083 62.100 0.203 0.000 1.142 359 T CB -0.407 68.570 68.868 0.181 0.000 0.866 359 T HN -0.022 nan 8.240 nan 0.000 0.444 360 V N 1.225 121.311 119.914 0.286 0.000 2.261 360 V HA -0.158 3.960 4.120 -0.004 0.000 0.246 360 V C 2.715 178.800 176.094 -0.014 0.000 1.047 360 V CA 1.369 63.742 62.300 0.121 0.000 1.015 360 V CB -0.839 31.031 31.823 0.077 0.000 0.642 360 V HN 0.304 nan 8.190 nan 0.000 0.446 361 V N 0.465 120.385 119.914 0.010 0.000 2.332 361 V HA -0.309 3.808 4.120 -0.004 0.000 0.248 361 V C 2.423 178.528 176.094 0.019 0.000 1.055 361 V CA 2.395 64.691 62.300 -0.007 0.000 1.038 361 V CB -0.728 31.110 31.823 0.026 0.000 0.651 361 V HN 0.635 nan 8.190 nan 0.000 0.450 362 D N -0.001 120.428 120.400 0.049 0.000 2.106 362 D HA -0.199 4.439 4.640 -0.004 0.000 0.191 362 D C 2.018 178.340 176.300 0.036 0.000 0.997 362 D CA 1.714 55.747 54.000 0.055 0.000 0.834 362 D CB -0.263 40.586 40.800 0.082 0.000 0.956 362 D HN 0.317 nan 8.370 nan 0.000 0.448 363 L N 0.366 121.605 121.223 0.026 0.000 2.042 363 L HA -0.107 4.231 4.340 -0.004 0.000 0.210 363 L C 2.353 179.191 176.870 -0.053 0.000 1.076 363 L CA 1.468 56.278 54.840 -0.050 0.000 0.749 363 L CB -0.651 41.270 42.059 -0.230 0.000 0.893 363 L HN 0.149 nan 8.230 nan 0.000 0.432 364 L N -0.645 120.573 121.223 -0.008 0.000 2.042 364 L HA -0.157 4.181 4.340 -0.004 0.000 0.210 364 L C 2.528 179.525 176.870 0.211 0.000 1.076 364 L CA 1.371 56.267 54.840 0.095 0.000 0.749 364 L CB -1.416 40.542 42.059 -0.168 0.000 0.893 364 L HN 0.489 nan 8.230 nan 0.000 0.432 365 G N -1.255 107.608 108.800 0.106 0.000 2.404 365 G HA2 -0.216 3.742 3.960 -0.004 0.000 0.215 365 G HA3 -0.216 3.742 3.960 -0.004 0.000 0.215 365 G C 1.518 176.423 174.900 0.009 0.000 1.174 365 G CA 0.161 45.315 45.100 0.090 0.000 0.780 365 G HN 0.241 nan 8.290 nan 0.000 0.537 366 Q N 0.459 120.236 119.800 -0.038 0.000 2.167 366 Q HA 0.077 4.415 4.340 -0.004 0.000 0.202 366 Q C 2.856 178.705 176.000 -0.251 0.000 0.970 366 Q CA 1.272 57.009 55.803 -0.110 0.000 0.855 366 Q CB -0.542 28.153 28.738 -0.072 0.000 0.911 366 Q HN 0.460 nan 8.270 nan 0.000 0.438 367 A N 0.431 123.070 122.820 -0.301 0.000 1.968 367 A HA 0.025 4.343 4.320 -0.004 0.000 0.217 367 A C 2.301 179.578 177.584 -0.511 0.000 1.169 367 A CA 1.373 53.027 52.037 -0.638 0.000 0.638 367 A CB -0.794 17.579 19.000 -1.043 0.000 0.812 367 A HN 0.417 nan 8.150 nan 0.000 0.446 368 G N 0.076 108.780 108.800 -0.161 0.000 2.432 368 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.219 368 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.219 368 G C 1.531 176.325 174.900 -0.176 0.000 1.135 368 G CA 1.506 46.546 45.100 -0.099 0.000 0.767 368 G HN 0.829 nan 8.290 nan 0.000 0.550 369 S N -0.339 115.232 115.700 -0.215 0.000 2.568 369 S HA 0.679 5.147 4.470 -0.004 0.000 0.232 369 S C 0.938 175.347 174.600 -0.318 0.000 0.975 369 S CA 0.147 58.221 58.200 -0.209 0.000 0.949 369 S CB 0.561 63.679 63.200 -0.137 0.000 0.829 369 S HN 0.547 nan 8.310 nan 0.000 0.479 370 A N 2.843 125.336 122.820 -0.544 0.000 2.366 370 A HA 0.549 4.867 4.320 -0.004 0.000 0.249 370 A C -1.076 176.123 177.584 -0.641 0.000 1.084 370 A CA -1.307 50.230 52.037 -0.833 0.000 0.794 370 A CB -0.128 17.776 19.000 -1.828 0.000 1.034 370 A HN 0.224 nan 8.150 nan 0.000 0.491 371 P HA -0.115 nan 4.420 nan 0.000 0.218 371 P C 0.932 178.159 177.300 -0.122 0.000 1.149 371 P CA 1.406 64.359 63.100 -0.245 0.000 0.817 371 P CB -0.050 31.579 31.700 -0.118 0.000 0.785 372 W N -1.752 119.553 121.300 0.009 0.000 3.438 372 W HA 0.596 5.254 4.660 -0.004 0.000 0.322 372 W C 1.006 177.581 176.519 0.092 0.000 1.261 372 W CA 0.015 57.391 57.345 0.052 0.000 1.788 372 W CB -1.272 28.227 29.460 0.064 0.000 1.065 372 W HN -0.115 nan 8.180 nan 0.000 0.715 373 A N 1.621 124.479 122.820 0.063 0.000 1.940 373 A HA -0.260 4.058 4.320 -0.004 0.000 0.219 373 A C 2.228 179.989 177.584 0.296 0.000 1.176 373 A CA 1.624 53.734 52.037 0.122 0.000 0.631 373 A CB -0.410 18.539 19.000 -0.086 0.000 0.814 373 A HN 0.222 nan 8.150 nan 0.000 0.446 374 Q N -1.043 118.879 119.800 0.202 0.000 2.096 374 Q HA -0.091 4.247 4.340 -0.004 0.000 0.197 374 Q C 2.320 178.438 176.000 0.197 0.000 0.964 374 Q CA 1.934 57.833 55.803 0.159 0.000 0.838 374 Q CB -1.256 27.540 28.738 0.097 0.000 0.906 374 Q HN 0.749 nan 8.270 nan 0.000 0.444 375 T N 0.254 114.960 114.554 0.253 0.000 2.857 375 T HA -0.129 4.218 4.350 -0.004 0.000 0.266 375 T C 1.409 176.278 174.700 0.281 0.000 1.048 375 T CA 1.017 63.257 62.100 0.235 0.000 1.139 375 T CB -0.254 68.747 68.868 0.221 0.000 0.874 375 T HN 0.523 nan 8.240 nan 0.000 0.455 376 W N 1.489 122.919 121.300 0.218 0.000 2.333 376 W HA -0.155 4.502 4.660 -0.004 0.000 0.316 376 W C 2.444 179.049 176.519 0.144 0.000 1.215 376 W CA 1.738 59.212 57.345 0.214 0.000 1.278 376 W CB -1.051 28.682 29.460 0.456 0.000 1.154 376 W HN 0.414 nan 8.180 nan 0.000 0.486 377 S N 1.130 116.905 115.700 0.125 0.000 2.382 377 S HA -0.151 4.317 4.470 -0.004 0.000 0.228 377 S C 2.121 176.675 174.600 -0.078 0.000 1.027 377 S CA 2.067 60.228 58.200 -0.064 0.000 0.991 377 S CB -0.740 62.479 63.200 0.032 0.000 0.823 377 S HN 0.329 nan 8.310 nan 0.000 0.469 378 A N 0.944 123.763 122.820 -0.000 0.000 2.067 378 A HA 0.009 4.327 4.320 -0.004 0.000 0.219 378 A C 2.327 179.891 177.584 -0.034 0.000 1.158 378 A CA 1.767 53.805 52.037 0.001 0.000 0.661 378 A CB -0.842 18.188 19.000 0.049 0.000 0.801 378 A HN 0.810 nan 8.150 nan 0.000 0.452 379 S N -0.740 114.916 115.700 -0.074 0.000 2.496 379 S HA 0.224 4.692 4.470 -0.004 0.000 0.224 379 S C 0.590 175.055 174.600 -0.225 0.000 0.996 379 S CA -0.242 57.889 58.200 -0.116 0.000 0.927 379 S CB -0.522 62.620 63.200 -0.096 0.000 0.774 379 S HN 0.370 nan 8.310 nan 0.000 0.524 380 L N 2.744 123.813 121.223 -0.258 0.000 2.367 380 L HA 0.346 4.684 4.340 -0.004 0.000 0.275 380 L C -2.430 174.321 176.870 -0.198 0.000 1.129 380 L CA -2.232 52.442 54.840 -0.277 0.000 0.839 380 L CB 0.211 42.103 42.059 -0.280 0.000 1.133 380 L HN 0.002 nan 8.230 nan 0.000 0.453 381 P HA -0.057 nan 4.420 nan 0.000 0.263 381 P C -0.780 176.457 177.300 -0.105 0.000 1.175 381 P CA 0.119 63.116 63.100 -0.172 0.000 0.761 381 P CB 0.475 32.071 31.700 -0.173 0.000 0.794 382 V N 3.321 123.187 119.914 -0.080 0.000 2.370 382 V HA 0.452 4.570 4.120 -0.004 0.000 0.283 382 V C 0.559 176.630 176.094 -0.038 0.000 1.023 382 V CA -1.066 61.207 62.300 -0.045 0.000 0.857 382 V CB 1.062 32.864 31.823 -0.035 0.000 0.985 382 V HN 0.664 nan 8.190 nan 0.000 0.443 383 A N 3.926 126.731 122.820 -0.025 0.000 2.566 383 A HA 0.451 4.768 4.320 -0.004 0.000 0.245 383 A C 1.507 179.075 177.584 -0.027 0.000 1.056 383 A CA 0.770 52.793 52.037 -0.023 0.000 0.757 383 A CB -0.646 18.344 19.000 -0.016 0.000 0.979 383 A HN 2.297 nan 8.150 nan 0.000 0.508 384 G N 1.867 110.653 108.800 -0.023 0.000 2.198 384 G HA2 -0.185 3.773 3.960 -0.004 0.000 0.260 384 G HA3 -0.185 3.773 3.960 -0.004 0.000 0.260 384 G C -0.102 174.790 174.900 -0.013 0.000 1.025 384 G CA 0.419 45.508 45.100 -0.018 0.000 0.769 384 G HN 0.840 nan 8.290 nan 0.000 0.507 385 E N 0.190 120.383 120.200 -0.012 0.000 2.174 385 E HA 0.446 4.794 4.350 -0.004 0.000 0.282 385 E C 1.176 177.783 176.600 0.012 0.000 0.992 385 E CA -0.043 56.357 56.400 -0.001 0.000 0.803 385 E CB 1.400 31.098 29.700 -0.003 0.000 1.090 385 E HN 0.139 nan 8.360 nan 0.000 0.396 386 S N 1.667 117.379 115.700 0.020 0.000 2.382 386 S HA -0.147 4.321 4.470 -0.004 0.000 0.228 386 S C 0.776 175.408 174.600 0.054 0.000 1.027 386 S CA 0.749 58.967 58.200 0.031 0.000 0.991 386 S CB -0.014 63.202 63.200 0.027 0.000 0.823 386 S HN 0.514 nan 8.310 nan 0.000 0.469 387 D N 1.982 122.422 120.400 0.066 0.000 2.434 387 D HA 0.097 4.735 4.640 -0.004 0.000 0.252 387 D C -1.813 174.567 176.300 0.134 0.000 1.185 387 D CA -2.013 52.054 54.000 0.112 0.000 0.886 387 D CB 1.077 41.946 40.800 0.115 0.000 1.148 387 D HN -0.020 nan 8.370 nan 0.000 0.483 388 P HA -0.121 nan 4.420 nan 0.000 0.216 388 P C 1.006 178.397 177.300 0.152 0.000 1.150 388 P CA 1.000 64.240 63.100 0.234 0.000 0.843 388 P CB -0.017 31.848 31.700 0.275 0.000 0.787 389 F N -1.800 118.268 119.950 0.197 0.000 2.802 389 F HA -0.050 4.474 4.527 -0.003 0.000 0.300 389 F C 1.831 177.593 175.800 -0.064 0.000 1.168 389 F CA 0.610 58.646 58.000 0.060 0.000 1.433 389 F CB -0.220 38.863 39.000 0.138 0.000 1.115 389 F HN -0.218 nan 8.300 nan 0.000 0.582 390 V N -1.957 118.003 119.914 0.077 0.000 2.854 390 V HA 0.178 4.296 4.120 -0.004 0.000 0.236 390 V C 2.370 178.429 176.094 -0.060 0.000 1.157 390 V CA 1.202 63.508 62.300 0.012 0.000 1.187 390 V CB -0.736 31.111 31.823 0.040 0.000 0.949 390 V HN 0.224 nan 8.190 nan 0.000 0.488 391 G N -0.479 108.293 108.800 -0.046 0.000 2.426 391 G HA2 0.339 4.297 3.960 -0.004 0.000 0.214 391 G HA3 0.339 4.297 3.960 -0.004 0.000 0.214 391 G C 1.179 176.008 174.900 -0.119 0.000 1.156 391 G CA 1.178 46.242 45.100 -0.061 0.000 0.802 391 G HN 0.894 nan 8.290 nan 0.000 0.534 392 G N 0.055 108.752 108.800 -0.172 0.000 2.611 392 G HA2 -0.363 3.595 3.960 -0.004 0.000 0.301 392 G HA3 -0.363 3.595 3.960 -0.004 0.000 0.301 392 G C 1.460 176.316 174.900 -0.074 0.000 1.233 392 G CA 2.205 47.142 45.100 -0.272 0.000 0.993 392 G HN 1.241 nan 8.290 nan 0.000 0.553 393 T N -0.351 114.145 114.554 -0.097 0.000 3.098 393 T HA 0.270 4.618 4.350 -0.004 0.000 0.266 393 T C 1.951 176.621 174.700 -0.049 0.000 1.145 393 T CA 1.664 63.735 62.100 -0.048 0.000 1.092 393 T CB -0.028 68.799 68.868 -0.067 0.000 0.908 393 T HN 0.537 nan 8.240 nan 0.000 0.526 394 L N -0.187 120.999 121.223 -0.061 0.000 2.857 394 L HA 0.499 4.837 4.340 -0.004 0.000 0.249 394 L C 2.565 179.416 176.870 -0.031 0.000 1.172 394 L CA 0.054 54.868 54.840 -0.044 0.000 0.980 394 L CB -0.271 41.759 42.059 -0.048 0.000 1.299 394 L HN 0.287 nan 8.230 nan 0.000 0.535 395 A N 0.653 123.460 122.820 -0.022 0.000 1.902 395 A HA -0.124 4.193 4.320 -0.004 0.000 0.217 395 A C 1.474 179.056 177.584 -0.004 0.000 1.181 395 A CA 1.350 53.384 52.037 -0.006 0.000 0.623 395 A CB -0.222 18.788 19.000 0.017 0.000 0.818 395 A HN 0.465 nan 8.150 nan 0.000 0.443 396 N N 0.136 118.833 118.700 -0.005 0.000 2.376 396 N HA 0.178 4.916 4.740 -0.004 0.000 0.249 396 N C -0.529 174.973 175.510 -0.013 0.000 1.140 396 N CA 0.097 53.143 53.050 -0.007 0.000 0.870 396 N CB 0.528 39.013 38.487 -0.004 0.000 1.124 396 N HN 0.406 nan 8.380 nan 0.000 0.505 397 R N -0.162 120.328 120.500 -0.017 0.000 2.686 397 R HA 0.397 4.735 4.340 -0.004 0.000 0.283 397 R C 0.451 176.738 176.300 -0.021 0.000 0.978 397 R CA -0.606 55.481 56.100 -0.020 0.000 0.897 397 R CB 1.725 32.011 30.300 -0.023 0.000 1.192 397 R HN 0.022 nan 8.270 nan 0.000 0.457 398 M N 0.353 119.939 119.600 -0.024 0.000 2.856 398 M HA -0.282 4.196 4.480 -0.004 0.000 0.189 398 M C -0.388 175.898 176.300 -0.024 0.000 0.612 398 M CA 1.122 56.407 55.300 -0.026 0.000 0.673 398 M CB -1.170 31.412 32.600 -0.030 0.000 2.440 398 M HN 0.523 nan 8.290 nan 0.000 0.437 399 R N 0.905 121.393 120.500 -0.019 0.000 2.570 399 R HA 0.274 4.612 4.340 -0.004 0.000 0.277 399 R C 1.363 177.654 176.300 -0.015 0.000 1.039 399 R CA 1.050 57.141 56.100 -0.015 0.000 1.065 399 R CB 0.198 30.491 30.300 -0.011 0.000 0.964 399 R HN 0.539 nan 8.270 nan 0.000 0.428 400 G N 1.778 110.570 108.800 -0.014 0.000 2.221 400 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.265 400 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.265 400 G C 0.097 174.990 174.900 -0.012 0.000 1.041 400 G CA 0.729 45.822 45.100 -0.011 0.000 0.807 400 G HN 0.772 nan 8.290 nan 0.000 0.502 401 T N -4.655 109.888 114.554 -0.017 0.000 2.901 401 T HA 0.815 5.163 4.350 -0.004 0.000 0.293 401 T C 1.434 176.123 174.700 -0.019 0.000 1.084 401 T CA 0.281 62.370 62.100 -0.017 0.000 1.008 401 T CB 1.737 70.591 68.868 -0.024 0.000 1.170 401 T HN 1.457 nan 8.240 nan 0.000 0.509 402 A N 0.717 123.533 122.820 -0.006 0.000 2.084 402 A HA 0.160 4.478 4.320 -0.004 0.000 0.221 402 A C 2.325 179.888 177.584 -0.036 0.000 1.161 402 A CA 1.970 54.015 52.037 0.013 0.000 0.653 402 A CB -1.321 17.710 19.000 0.052 0.000 0.802 402 A HN 1.355 nan 8.150 nan 0.000 0.457 403 A N -0.877 121.914 122.820 -0.049 0.000 2.178 403 A HA 0.132 4.449 4.320 -0.004 0.000 0.211 403 A C 1.015 178.549 177.584 -0.084 0.000 1.157 403 A CA 0.271 52.264 52.037 -0.074 0.000 0.780 403 A CB -0.199 18.767 19.000 -0.055 0.000 0.828 403 A HN 0.578 nan 8.150 nan 0.000 0.476 404 E N -0.115 120.043 120.200 -0.069 0.000 2.366 404 E HA 0.318 4.665 4.350 -0.004 0.000 0.266 404 E C 1.140 177.693 176.600 -0.079 0.000 1.015 404 E CA 0.612 56.977 56.400 -0.058 0.000 0.906 404 E CB 0.036 29.713 29.700 -0.038 0.000 0.979 404 E HN 0.617 nan 8.360 nan 0.000 0.443 405 G N 2.550 111.312 108.800 -0.064 0.000 2.199 405 G HA2 -0.328 3.629 3.960 -0.004 0.000 0.254 405 G HA3 -0.328 3.629 3.960 -0.004 0.000 0.254 405 G C 0.712 175.561 174.900 -0.086 0.000 0.982 405 G CA 0.587 45.650 45.100 -0.062 0.000 0.632 405 G HN 0.673 nan 8.290 nan 0.000 0.529 406 V N -3.007 116.830 119.914 -0.128 0.000 2.996 406 V HA 0.499 4.617 4.120 -0.004 0.000 0.235 406 V C 1.511 177.582 176.094 -0.039 0.000 1.205 406 V CA 0.530 62.740 62.300 -0.150 0.000 1.225 406 V CB -0.115 31.437 31.823 -0.452 0.000 0.995 406 V HN 0.423 nan 8.190 nan 0.000 0.484 407 V N 3.280 123.183 119.914 -0.019 0.000 2.485 407 V HA 0.172 4.290 4.120 -0.004 0.000 0.287 407 V C -0.007 176.134 176.094 0.078 0.000 1.022 407 V CA 0.391 62.739 62.300 0.080 0.000 1.067 407 V CB -0.049 31.820 31.823 0.078 0.000 0.967 407 V HN 0.656 nan 8.190 nan 0.000 0.479 408 E N 4.498 124.772 120.200 0.123 0.000 2.102 408 E HA 0.721 5.069 4.350 -0.004 0.000 0.263 408 E C -0.339 176.271 176.600 0.016 0.000 0.894 408 E CA -0.342 56.093 56.400 0.059 0.000 0.746 408 E CB 1.763 31.508 29.700 0.076 0.000 1.129 408 E HN 0.762 nan 8.360 nan 0.000 0.416 409 A N 2.972 125.759 122.820 -0.056 0.000 2.515 409 A HA 0.611 4.928 4.320 -0.004 0.000 0.298 409 A C -1.108 176.366 177.584 -0.184 0.000 1.059 409 A CA -0.924 51.026 52.037 -0.147 0.000 0.698 409 A CB 1.633 20.615 19.000 -0.030 0.000 1.289 409 A HN 0.381 nan 8.150 nan 0.000 0.404 410 K N 0.906 121.160 120.400 -0.243 0.000 2.156 410 K HA 0.599 4.916 4.320 -0.004 0.000 0.271 410 K C 0.265 176.771 176.600 -0.158 0.000 0.995 410 K CA 0.205 56.358 56.287 -0.223 0.000 0.890 410 K CB 0.921 33.261 32.500 -0.266 0.000 1.073 410 K HN 0.847 nan 8.250 nan 0.000 0.454 411 T N -0.016 114.459 114.554 -0.132 0.000 2.918 411 T HA 0.722 5.070 4.350 -0.004 0.000 0.283 411 T C 0.289 174.939 174.700 -0.083 0.000 1.001 411 T CA -0.811 61.233 62.100 -0.092 0.000 1.041 411 T CB 1.526 70.345 68.868 -0.082 0.000 1.028 411 T HN 0.549 nan 8.240 nan 0.000 0.511 412 G N 0.555 109.318 108.800 -0.060 0.000 2.687 412 G HA2 0.588 4.545 3.960 -0.004 0.000 0.301 412 G HA3 0.588 4.545 3.960 -0.004 0.000 0.301 412 G C -1.106 173.762 174.900 -0.053 0.000 1.416 412 G CA -0.820 44.249 45.100 -0.052 0.000 1.005 412 G HN 0.866 nan 8.290 nan 0.000 0.509 413 T N 2.347 116.852 114.554 -0.081 0.000 3.011 413 T HA 0.689 5.037 4.350 -0.004 0.000 0.303 413 T C -0.190 174.423 174.700 -0.146 0.000 0.997 413 T CA -0.394 61.649 62.100 -0.094 0.000 1.007 413 T CB 1.306 70.110 68.868 -0.107 0.000 1.017 413 T HN 0.543 nan 8.240 nan 0.000 0.443 414 M N 0.547 120.071 119.600 -0.127 0.000 3.008 414 M HA 0.403 4.880 4.480 -0.004 0.000 0.271 414 M C -0.412 175.804 176.300 -0.140 0.000 1.265 414 M CA -0.941 54.248 55.300 -0.185 0.000 0.817 414 M CB 2.268 34.740 32.600 -0.213 0.000 1.638 414 M HN 0.435 nan 8.290 nan 0.000 0.479 415 S N 0.724 116.321 115.700 -0.171 0.000 2.546 415 S HA 0.265 4.733 4.470 -0.004 0.000 0.290 415 S C 0.928 175.421 174.600 -0.178 0.000 1.262 415 S CA 1.512 59.629 58.200 -0.138 0.000 1.083 415 S CB -0.012 63.124 63.200 -0.107 0.000 0.859 415 S HN 1.004 nan 8.310 nan 0.000 0.495 416 G N 2.713 111.340 108.800 -0.289 0.000 2.212 416 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.267 416 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.267 416 G C -0.010 174.639 174.900 -0.418 0.000 1.002 416 G CA 0.469 45.214 45.100 -0.592 0.000 0.729 416 G HN 0.819 nan 8.290 nan 0.000 0.517 417 V N -0.270 119.562 119.914 -0.137 0.000 2.524 417 V HA 0.767 4.885 4.120 -0.004 0.000 0.297 417 V C -0.098 176.067 176.094 0.119 0.000 1.035 417 V CA -0.118 62.201 62.300 0.033 0.000 0.867 417 V CB 1.898 33.698 31.823 -0.038 0.000 1.004 417 V HN 0.535 nan 8.190 nan 0.000 0.426 418 S N 3.139 118.949 115.700 0.182 0.000 2.547 418 S HA 0.930 5.397 4.470 -0.004 0.000 0.281 418 S C -0.689 173.928 174.600 0.027 0.000 1.118 418 S CA 0.154 58.394 58.200 0.066 0.000 0.947 418 S CB 1.754 64.956 63.200 0.003 0.000 1.053 418 S HN 1.334 nan 8.310 nan 0.000 0.482 419 A N 3.009 125.829 122.820 0.000 0.000 2.515 419 A HA 0.869 5.187 4.320 -0.004 0.000 0.298 419 A C -1.858 175.717 177.584 -0.015 0.000 1.059 419 A CA -0.571 51.465 52.037 -0.001 0.000 0.698 419 A CB 1.647 20.646 19.000 -0.001 0.000 1.289 419 A HN 0.894 nan 8.150 nan 0.000 0.404 420 L N 1.307 122.532 121.223 0.002 0.000 2.482 420 L HA 0.743 5.081 4.340 -0.004 0.000 0.269 420 L C -0.896 175.925 176.870 -0.082 0.000 0.967 420 L CA 0.347 55.190 54.840 0.005 0.000 0.851 420 L CB 2.028 44.152 42.059 0.109 0.000 1.242 420 L HN 0.613 nan 8.230 nan 0.000 0.404 421 S N 2.824 118.348 115.700 -0.293 0.000 2.575 421 S HA 0.984 5.451 4.470 -0.004 0.000 0.278 421 S C -0.163 173.972 174.600 -0.775 0.000 1.139 421 S CA -0.083 57.742 58.200 -0.625 0.000 0.954 421 S CB 1.755 64.736 63.200 -0.366 0.000 1.054 421 S HN 1.074 nan 8.310 nan 0.000 0.483 422 G N 1.535 109.562 108.800 -1.289 0.000 2.485 422 G HA2 0.490 4.448 3.960 -0.004 0.000 0.182 422 G HA3 0.490 4.448 3.960 -0.004 0.000 0.182 422 G C -2.308 172.082 174.900 -0.849 0.000 1.172 422 G CA -0.500 44.056 45.100 -0.907 0.000 0.996 422 G HN 0.497 nan 8.290 nan 0.000 0.496 423 Y N -0.955 119.337 120.300 -0.013 0.000 2.524 423 Y HA 0.629 5.177 4.550 -0.003 0.000 0.344 423 Y C -0.037 176.041 175.900 0.297 0.000 1.012 423 Y CA -0.964 57.241 58.100 0.174 0.000 1.068 423 Y CB 2.740 41.268 38.460 0.112 0.000 1.249 423 Y HN 0.254 nan 8.280 nan 0.000 0.468 424 V N 3.660 123.838 119.914 0.440 0.000 2.266 424 V HA 0.275 4.393 4.120 -0.004 0.000 0.266 424 V C -2.535 173.718 176.094 0.265 0.000 1.036 424 V CA -1.783 60.694 62.300 0.296 0.000 0.828 424 V CB 0.668 32.615 31.823 0.208 0.000 1.081 424 V HN 0.526 nan 8.190 nan 0.000 0.449 425 P HA 0.280 nan 4.420 nan 0.000 0.266 425 P C 0.360 177.829 177.300 0.282 0.000 1.586 425 P CA 0.507 63.726 63.100 0.199 0.000 1.088 425 P CB 1.179 32.956 31.700 0.130 0.000 1.584 426 G N 4.458 113.374 108.800 0.194 0.000 2.461 426 G HA2 0.415 4.372 3.960 -0.004 0.000 0.329 426 G HA3 0.415 4.372 3.960 -0.004 0.000 0.329 426 G C -1.555 173.325 174.900 -0.034 0.000 1.170 426 G CA -1.736 43.370 45.100 0.010 0.000 0.935 426 G HN 0.107 nan 8.290 nan 0.000 0.492 427 P HA -0.139 nan 4.420 nan 0.000 0.217 427 P C 1.070 178.337 177.300 -0.055 0.000 1.148 427 P CA 1.126 64.186 63.100 -0.066 0.000 0.828 427 P CB 0.496 32.140 31.700 -0.094 0.000 0.783 428 E N 0.080 120.233 120.200 -0.079 0.000 2.001 428 E HA 0.113 4.461 4.350 -0.004 0.000 0.195 428 E C 1.434 178.026 176.600 -0.014 0.000 1.002 428 E CA 1.585 57.949 56.400 -0.061 0.000 0.819 428 E CB -0.811 28.828 29.700 -0.102 0.000 0.769 428 E HN 0.304 nan 8.360 nan 0.000 0.454 429 G N -0.838 107.971 108.800 0.015 0.000 2.623 429 G HA2 0.319 4.277 3.960 -0.004 0.000 0.290 429 G HA3 0.319 4.277 3.960 -0.004 0.000 0.290 429 G C -1.577 173.378 174.900 0.091 0.000 1.437 429 G CA -0.776 44.355 45.100 0.052 0.000 0.798 429 G HN 0.036 nan 8.290 nan 0.000 0.488 430 E N 0.545 120.808 120.200 0.105 0.000 2.052 430 E HA 0.353 4.701 4.350 -0.004 0.000 0.283 430 E C -0.534 176.196 176.600 0.216 0.000 1.071 430 E CA -0.603 55.889 56.400 0.152 0.000 0.851 430 E CB 0.525 30.285 29.700 0.100 0.000 1.066 430 E HN 0.173 nan 8.360 nan 0.000 0.396 431 L N 3.347 124.720 121.223 0.250 0.000 2.397 431 L HA 0.347 4.685 4.340 -0.004 0.000 0.271 431 L C 0.061 177.138 176.870 0.344 0.000 1.148 431 L CA 0.270 55.271 54.840 0.268 0.000 0.825 431 L CB 1.358 43.563 42.059 0.243 0.000 1.117 431 L HN 0.599 nan 8.230 nan 0.000 0.456 432 A N 3.869 126.851 122.820 0.270 0.000 2.350 432 A HA 0.849 5.167 4.320 -0.004 0.000 0.324 432 A C -1.045 176.657 177.584 0.196 0.000 1.118 432 A CA -0.414 51.709 52.037 0.143 0.000 0.783 432 A CB 0.783 19.824 19.000 0.067 0.000 1.236 432 A HN 0.578 nan 8.150 nan 0.000 0.457 433 F N 0.021 119.927 119.950 -0.073 0.000 2.619 433 F HA 0.808 5.333 4.527 -0.004 0.000 0.308 433 F C -0.586 175.178 175.800 -0.061 0.000 1.097 433 F CA -0.722 57.254 58.000 -0.041 0.000 0.953 433 F CB 1.536 40.518 39.000 -0.029 0.000 1.287 433 F HN 0.486 nan 8.300 nan 0.000 0.446 434 S N 2.927 118.646 115.700 0.032 0.000 2.557 434 S HA 0.805 5.273 4.470 -0.004 0.000 0.291 434 S C -1.332 173.335 174.600 0.113 0.000 1.116 434 S CA -0.559 57.620 58.200 -0.035 0.000 0.992 434 S CB 0.920 64.103 63.200 -0.027 0.000 1.028 434 S HN 0.656 nan 8.310 nan 0.000 0.484 435 I N 4.671 125.303 120.570 0.104 0.000 2.448 435 I HA 0.445 4.613 4.170 -0.004 0.000 0.281 435 I C -1.094 175.060 176.117 0.060 0.000 1.027 435 I CA -0.793 60.573 61.300 0.109 0.000 1.111 435 I CB 1.880 39.962 38.000 0.137 0.000 1.236 435 I HN 0.270 nan 8.210 nan 0.000 0.452 436 V N 5.910 125.859 119.914 0.058 0.000 2.407 436 V HA 0.440 4.557 4.120 -0.004 0.000 0.291 436 V C -0.422 175.706 176.094 0.058 0.000 1.018 436 V CA -0.669 61.662 62.300 0.052 0.000 0.842 436 V CB 1.694 33.550 31.823 0.054 0.000 0.996 436 V HN 0.659 nan 8.190 nan 0.000 0.426 437 N N 4.440 123.180 118.700 0.066 0.000 2.342 437 N HA 0.490 5.228 4.740 -0.004 0.000 0.293 437 N C -1.073 174.546 175.510 0.182 0.000 1.026 437 N CA -0.483 52.626 53.050 0.100 0.000 0.857 437 N CB 2.301 40.805 38.487 0.029 0.000 1.256 437 N HN 0.652 nan 8.380 nan 0.000 0.484 438 N N -0.204 118.590 118.700 0.157 0.000 2.258 438 N HA 0.379 5.117 4.740 -0.004 0.000 0.299 438 N C 0.347 175.893 175.510 0.059 0.000 1.047 438 N CA -0.509 52.592 53.050 0.085 0.000 0.814 438 N CB 2.359 40.869 38.487 0.038 0.000 1.413 438 N HN 0.736 nan 8.380 nan 0.000 0.478 439 G N 1.306 110.048 108.800 -0.096 0.000 2.143 439 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.249 439 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.249 439 G C 0.063 174.920 174.900 -0.071 0.000 0.981 439 G CA 0.105 45.148 45.100 -0.095 0.000 0.665 439 G HN 0.862 nan 8.290 nan 0.000 0.528 440 H N -0.075 118.994 119.070 -0.000 0.000 2.757 440 H HA 0.557 5.111 4.556 -0.003 0.000 0.370 440 H C 1.098 176.425 175.328 -0.002 0.000 1.172 440 H CA 0.392 56.439 56.048 -0.002 0.000 1.426 440 H CB 0.984 30.742 29.762 -0.006 0.000 1.438 440 H HN 0.495 nan 8.280 nan 0.000 0.612 441 S N -0.016 115.729 115.700 0.076 0.000 2.666 441 S HA 0.315 4.783 4.470 -0.004 0.000 0.239 441 S C 0.956 175.583 174.600 0.046 0.000 1.031 441 S CA -0.157 58.055 58.200 0.021 0.000 1.015 441 S CB 0.632 63.840 63.200 0.014 0.000 0.981 441 S HN 0.902 nan 8.310 nan 0.000 0.547 442 G N 2.380 111.234 108.800 0.091 0.000 3.175 442 G HA2 0.661 4.619 3.960 -0.004 0.000 0.153 442 G HA3 0.661 4.619 3.960 -0.004 0.000 0.153 442 G C -2.590 172.367 174.900 0.095 0.000 1.216 442 G CA -1.223 43.918 45.100 0.068 0.000 0.943 442 G HN 0.321 nan 8.290 nan 0.000 0.611 443 P HA 0.396 nan 4.420 nan 0.000 0.271 443 P C -0.206 177.119 177.300 0.042 0.000 1.233 443 P CA -0.061 63.062 63.100 0.039 0.000 0.789 443 P CB 0.541 32.241 31.700 0.001 0.000 0.951 444 A N 2.873 125.700 122.820 0.012 0.000 2.511 444 A HA 0.270 4.588 4.320 -0.004 0.000 0.242 444 A C -1.662 175.807 177.584 -0.191 0.000 1.069 444 A CA -0.917 51.062 52.037 -0.097 0.000 0.763 444 A CB -1.017 17.964 19.000 -0.031 0.000 1.001 444 A HN 0.429 nan 8.150 nan 0.000 0.498 445 P HA 0.127 nan 4.420 nan 0.000 0.226 445 P C 0.625 177.842 177.300 -0.138 0.000 1.783 445 P CA 0.044 63.010 63.100 -0.224 0.000 0.980 445 P CB -0.081 31.453 31.700 -0.275 0.000 1.967 446 L N 0.522 121.684 121.223 -0.101 0.000 2.056 446 L HA -0.119 4.219 4.340 -0.004 0.000 0.207 446 L C 2.568 179.403 176.870 -0.059 0.000 1.078 446 L CA 1.575 56.374 54.840 -0.069 0.000 0.749 446 L CB -1.133 40.893 42.059 -0.054 0.000 0.901 446 L HN 0.111 nan 8.230 nan 0.000 0.433 447 A N 0.015 122.800 122.820 -0.059 0.000 1.940 447 A HA -0.156 4.162 4.320 -0.004 0.000 0.219 447 A C 2.351 179.900 177.584 -0.059 0.000 1.176 447 A CA 1.866 53.872 52.037 -0.052 0.000 0.631 447 A CB -0.806 18.166 19.000 -0.046 0.000 0.814 447 A HN 0.212 nan 8.150 nan 0.000 0.446 448 V N -0.289 119.585 119.914 -0.067 0.000 2.307 448 V HA -0.321 3.797 4.120 -0.004 0.000 0.245 448 V C 2.644 178.695 176.094 -0.072 0.000 1.045 448 V CA 2.283 64.541 62.300 -0.070 0.000 1.024 448 V CB -0.970 30.808 31.823 -0.074 0.000 0.651 448 V HN 0.651 nan 8.190 nan 0.000 0.449 449 Q N -0.260 119.503 119.800 -0.062 0.000 2.020 449 Q HA -0.233 4.105 4.340 -0.004 0.000 0.202 449 Q C 2.130 178.096 176.000 -0.056 0.000 0.982 449 Q CA 1.936 57.715 55.803 -0.041 0.000 0.838 449 Q CB -0.314 28.414 28.738 -0.017 0.000 0.899 449 Q HN 0.614 nan 8.270 nan 0.000 0.423 450 D N 0.596 120.964 120.400 -0.053 0.000 2.106 450 D HA -0.188 4.449 4.640 -0.004 0.000 0.191 450 D C 1.810 178.062 176.300 -0.081 0.000 0.997 450 D CA 1.563 55.529 54.000 -0.058 0.000 0.834 450 D CB -0.457 40.316 40.800 -0.046 0.000 0.956 450 D HN 0.291 nan 8.370 nan 0.000 0.448 451 A N 0.745 123.518 122.820 -0.079 0.000 1.892 451 A HA -0.197 4.120 4.320 -0.004 0.000 0.218 451 A C 2.441 179.952 177.584 -0.121 0.000 1.188 451 A CA 1.278 53.264 52.037 -0.086 0.000 0.631 451 A CB -0.869 18.086 19.000 -0.076 0.000 0.822 451 A HN 0.220 nan 8.150 nan 0.000 0.447 452 I N -0.429 120.052 120.570 -0.148 0.000 2.099 452 I HA -0.319 3.848 4.170 -0.004 0.000 0.239 452 I C 3.039 178.987 176.117 -0.280 0.000 1.066 452 I CA 1.248 62.419 61.300 -0.214 0.000 1.324 452 I CB -0.474 37.394 38.000 -0.220 0.000 1.037 452 I HN 0.381 nan 8.210 nan 0.000 0.401 453 A N 0.251 122.881 122.820 -0.317 0.000 1.948 453 A HA -0.179 4.139 4.320 -0.004 0.000 0.220 453 A C 2.413 179.858 177.584 -0.232 0.000 1.177 453 A CA 1.943 53.734 52.037 -0.411 0.000 0.636 453 A CB -0.999 17.831 19.000 -0.284 0.000 0.815 453 A HN 0.288 nan 8.150 nan 0.000 0.449 454 V N -0.245 119.583 119.914 -0.144 0.000 2.358 454 V HA -0.193 3.925 4.120 -0.004 0.000 0.246 454 V C 2.684 178.738 176.094 -0.066 0.000 1.047 454 V CA 1.965 64.214 62.300 -0.084 0.000 1.035 454 V CB -0.724 31.062 31.823 -0.062 0.000 0.658 454 V HN 0.505 nan 8.190 nan 0.000 0.452 455 R N -0.330 120.115 120.500 -0.091 0.000 2.152 455 R HA -0.044 4.294 4.340 -0.004 0.000 0.232 455 R C 2.112 178.385 176.300 -0.044 0.000 1.117 455 R CA 1.170 57.231 56.100 -0.066 0.000 0.981 455 R CB -0.373 29.867 30.300 -0.100 0.000 0.870 455 R HN 0.468 nan 8.270 nan 0.000 0.451 456 L N -0.554 120.604 121.223 -0.108 0.000 2.156 456 L HA -0.048 4.290 4.340 -0.004 0.000 0.208 456 L C 2.525 179.426 176.870 0.052 0.000 1.095 456 L CA 0.949 55.745 54.840 -0.073 0.000 0.770 456 L CB -0.460 41.449 42.059 -0.251 0.000 0.914 456 L HN 0.127 nan 8.230 nan 0.000 0.439 457 A N 0.151 122.992 122.820 0.035 0.000 1.930 457 A HA -0.180 4.138 4.320 -0.004 0.000 0.217 457 A C 2.125 179.802 177.584 0.156 0.000 1.175 457 A CA 1.324 53.449 52.037 0.147 0.000 0.627 457 A CB -0.287 18.764 19.000 0.086 0.000 0.815 457 A HN 0.414 nan 8.150 nan 0.000 0.443 458 E N -1.738 118.518 120.200 0.092 0.000 2.150 458 E HA -0.172 4.176 4.350 -0.004 0.000 0.193 458 E C 1.793 178.433 176.600 0.068 0.000 0.985 458 E CA 1.216 57.656 56.400 0.068 0.000 0.814 458 E CB -0.277 29.449 29.700 0.044 0.000 0.752 458 E HN 0.776 nan 8.360 nan 0.000 0.466 459 Y N 1.233 121.520 120.300 -0.022 0.000 2.145 459 Y HA -0.155 4.393 4.550 -0.003 0.000 0.286 459 Y C 2.103 177.987 175.900 -0.027 0.000 1.145 459 Y CA 1.450 59.536 58.100 -0.024 0.000 1.148 459 Y CB -0.227 38.217 38.460 -0.026 0.000 0.981 459 Y HN -0.031 nan 8.280 nan 0.000 0.507 460 A N -0.197 122.645 122.820 0.037 0.000 2.239 460 A HA 0.279 4.596 4.320 -0.004 0.000 0.209 460 A C 1.572 179.022 177.584 -0.224 0.000 1.171 460 A CA 0.858 52.854 52.037 -0.067 0.000 0.768 460 A CB -1.550 17.499 19.000 0.081 0.000 0.790 460 A HN 1.016 nan 8.150 nan 0.000 0.478 461 G N -0.504 108.181 108.800 -0.192 0.000 2.291 461 G HA2 -0.174 3.784 3.960 -0.004 0.000 0.271 461 G HA3 -0.174 3.784 3.960 -0.004 0.000 0.271 461 G C -0.219 174.508 174.900 -0.289 0.000 1.099 461 G CA 0.136 45.105 45.100 -0.218 0.000 0.919 461 G HN 0.658 nan 8.290 nan 0.000 0.496 462 H N -0.643 118.418 119.070 -0.015 0.000 2.567 462 H HA 0.702 5.256 4.556 -0.004 0.000 0.345 462 H C 0.173 175.495 175.328 -0.010 0.000 1.169 462 H CA -0.127 55.916 56.048 -0.008 0.000 1.227 462 H CB 1.878 31.639 29.762 -0.001 0.000 1.607 462 H HN 0.376 nan 8.280 nan 0.000 0.534 463 Q N -0.046 119.845 119.800 0.151 0.000 2.394 463 Q HA 0.562 4.900 4.340 -0.004 0.000 0.273 463 Q C -0.695 175.336 176.000 0.051 0.000 1.089 463 Q CA -0.927 54.918 55.803 0.071 0.000 0.812 463 Q CB 2.447 31.213 28.738 0.047 0.000 1.353 463 Q HN 0.752 nan 8.270 nan 0.000 0.438 464 A N 3.093 125.929 122.820 0.027 0.000 2.492 464 A HA 0.437 4.754 4.320 -0.004 0.000 0.254 464 A C -2.010 175.579 177.584 0.009 0.000 1.091 464 A CA -0.989 51.054 52.037 0.010 0.000 0.768 464 A CB -0.589 18.413 19.000 0.004 0.000 1.028 464 A HN 0.482 nan 8.150 nan 0.000 0.498 465 P HA 0.150 nan 4.420 nan 0.000 0.267 465 P C -0.226 177.075 177.300 0.002 0.000 1.205 465 P CA 0.415 63.516 63.100 0.003 0.000 0.765 465 P CB 1.074 32.771 31.700 -0.004 0.000 0.828 466 E N 1.165 121.367 120.200 0.004 0.000 2.717 466 E HA 0.339 4.687 4.350 -0.004 0.000 0.204 466 E C 0.719 177.321 176.600 0.003 0.000 0.911 466 E CA -0.058 56.344 56.400 0.003 0.000 1.370 466 E CB 0.767 30.468 29.700 0.003 0.000 1.315 466 E HN 0.631 nan 8.360 nan 0.000 0.643 467 G N 0.000 108.803 108.800 0.004 0.000 5.446 467 G HA2 0.000 3.958 3.960 -0.004 0.000 0.244 467 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 467 G CA 0.000 nan 45.100 nan 0.000 0.502 467 G HN 0.000 nan 8.290 nan 0.000 0.925