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 1aor_1_B DATA FIRST_RESID 1 DATA SEQUENCE MYGNWGRFIR VNLSTGDIKV EEYDEELAKK WLGSRGLAIY LLLKEMDPTV DATA SEQUENCE DPLSPENKLI IAAGPLTGTS APTGGRYNVV TKSPLTGFIT MANSGGYFGA DATA SEQUENCE ELKFAGYDAI VVEGKAEKPV YIYIKDEHIE IRDASHIWGK KVSETEATIR DATA SEQUENCE KEVGSEKVKI ASIGPAGENL VKFAAIMNDG HRAAGRGGVG AVMGSKNLKA DATA SEQUENCE IAVEGSKTVP IADKQKFMLV VREKVNKLRN DPVAGGGLPK YGTAVLVNII DATA SEQUENCE NENGLYPVKN FQTGVYPYAY EQSGEAMAAK YLVRNKPCYA CPIGCGRVNR DATA SEQUENCE LPTVGETEGP EYESVWALGA NLGINDLASI IEANHMCDEL GLDTISTGGT DATA SEQUENCE LATAMELYEK GHIKDEELGD APPFRWGNTE VLHYYIEKIA KREGFGDKLA DATA SEQUENCE EGSYRLAESY GHPELSMTVK KLELPAYDPR GAEGHGLGYA TNNRGGCHIK DATA SEQUENCE NYMISPEILG YPYKMDPHDV SDDKIKMLIL FQDLTALIDS AGLCLFTTFG DATA SEQUENCE LGADDYRDLL NAALGWDFTT EDYLKIGERI WNAERLFNLK AGLDPARDDT DATA SEQUENCE LPKRFLEEPM PEGPNKGHTV RLKEMLPRYY KLRGWTEDGK IPKEKLEELG DATA SEQUENCE IAEFY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.869 176.300 -0.718 0.000 1.140 1 M CA 0.000 55.043 55.300 -0.429 0.000 0.988 1 M CB 0.000 32.483 32.600 -0.195 0.000 1.302 2 Y N 1.918 122.117 120.300 -0.168 0.000 2.549 2 Y HA 0.823 5.372 4.550 -0.001 0.000 0.339 2 Y C 1.065 176.749 175.900 -0.359 0.000 1.053 2 Y CA 0.540 58.468 58.100 -0.285 0.000 1.105 2 Y CB 1.838 40.128 38.460 -0.283 0.000 1.258 2 Y HN 0.952 nan 8.280 nan 0.000 0.478 3 G N 0.984 109.611 108.800 -0.288 0.000 5.426 3 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.297 3 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.297 3 G C 0.100 174.783 174.900 -0.361 0.000 1.422 3 G CA 0.104 45.006 45.100 -0.331 0.000 0.938 3 G HN 0.560 nan 8.290 nan 0.000 0.754 4 N N 0.777 119.343 118.700 -0.223 0.000 2.503 4 N HA 0.323 5.063 4.740 -0.001 0.000 0.267 4 N C 0.632 176.034 175.510 -0.180 0.000 1.214 4 N CA 0.231 53.228 53.050 -0.089 0.000 0.959 4 N CB 0.766 39.329 38.487 0.127 0.000 1.142 4 N HN 0.574 nan 8.380 nan 0.000 0.455 5 W N 0.099 121.383 121.300 -0.027 0.000 2.704 5 W HA 0.205 4.864 4.660 -0.000 0.000 0.266 5 W C 1.419 177.818 176.519 -0.200 0.000 1.266 5 W CA 0.167 57.453 57.345 -0.099 0.000 1.377 5 W CB 0.287 29.703 29.460 -0.072 0.000 1.082 5 W HN 0.779 nan 8.180 nan 0.000 0.608 6 G N 1.020 109.758 108.800 -0.102 0.000 2.136 6 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.242 6 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.242 6 G C -0.001 174.721 174.900 -0.297 0.000 0.989 6 G CA -0.301 44.347 45.100 -0.752 0.000 0.682 6 G HN 0.243 nan 8.290 nan 0.000 0.522 7 R N -0.877 119.704 120.500 0.135 0.000 2.744 7 R HA 0.772 5.112 4.340 -0.001 0.000 0.279 7 R C -0.612 175.972 176.300 0.472 0.000 0.977 7 R CA -0.752 55.475 56.100 0.212 0.000 0.906 7 R CB 1.561 31.906 30.300 0.075 0.000 1.197 7 R HN 0.601 nan 8.270 nan 0.000 0.463 8 F N -0.125 119.997 119.950 0.286 0.000 2.628 8 F HA 0.579 5.106 4.527 -0.001 0.000 0.309 8 F C -1.203 174.664 175.800 0.112 0.000 1.108 8 F CA -1.286 56.850 58.000 0.226 0.000 0.971 8 F CB 0.930 40.053 39.000 0.205 0.000 1.279 8 F HN 0.255 nan 8.300 nan 0.000 0.441 9 I N 3.450 124.124 120.570 0.175 0.000 2.519 9 I HA 0.422 4.591 4.170 -0.001 0.000 0.287 9 I C -0.015 176.183 176.117 0.134 0.000 1.047 9 I CA -0.542 60.737 61.300 -0.035 0.000 1.381 9 I CB 1.407 39.249 38.000 -0.263 0.000 1.417 9 I HN 0.764 nan 8.210 nan 0.000 0.540 10 R N 5.516 126.042 120.500 0.042 0.000 2.476 10 R HA 0.631 4.970 4.340 -0.001 0.000 0.305 10 R C -1.941 174.368 176.300 0.016 0.000 0.965 10 R CA -0.481 55.678 56.100 0.098 0.000 0.867 10 R CB 1.588 31.958 30.300 0.117 0.000 1.176 10 R HN 0.478 nan 8.270 nan 0.000 0.447 11 V N 4.356 124.280 119.914 0.016 0.000 2.448 11 V HA 0.330 4.450 4.120 -0.001 0.000 0.295 11 V C -0.443 175.651 176.094 -0.001 0.000 1.025 11 V CA -1.007 61.287 62.300 -0.010 0.000 0.859 11 V CB 1.632 33.442 31.823 -0.022 0.000 0.988 11 V HN 0.692 nan 8.190 nan 0.000 0.431 12 N N 4.277 122.972 118.700 -0.008 0.000 2.558 12 N HA 0.371 5.110 4.740 -0.001 0.000 0.242 12 N C 0.684 176.185 175.510 -0.014 0.000 0.979 12 N CA -0.375 52.671 53.050 -0.006 0.000 0.931 12 N CB 1.426 39.910 38.487 -0.005 0.000 1.122 12 N HN 0.660 nan 8.380 nan 0.000 0.508 13 L N 1.426 122.641 121.223 -0.013 0.000 2.131 13 L HA -0.133 4.207 4.340 -0.001 0.000 0.210 13 L C 2.005 178.860 176.870 -0.025 0.000 1.092 13 L CA 0.793 55.620 54.840 -0.020 0.000 0.759 13 L CB -0.233 41.816 42.059 -0.015 0.000 0.903 13 L HN 0.420 nan 8.230 nan 0.000 0.435 14 S N -0.457 115.230 115.700 -0.021 0.000 2.356 14 S HA -0.166 4.303 4.470 -0.001 0.000 0.223 14 S C 2.036 176.622 174.600 -0.023 0.000 1.032 14 S CA 2.005 60.191 58.200 -0.023 0.000 1.005 14 S CB -0.342 62.847 63.200 -0.018 0.000 0.867 14 S HN 0.652 nan 8.310 nan 0.000 0.449 15 T N -2.228 112.314 114.554 -0.020 0.000 3.051 15 T HA 0.405 4.754 4.350 -0.001 0.000 0.255 15 T C 1.557 176.244 174.700 -0.023 0.000 1.085 15 T CA 0.889 62.977 62.100 -0.020 0.000 1.109 15 T CB 0.050 68.908 68.868 -0.016 0.000 0.921 15 T HN 0.607 nan 8.240 nan 0.000 0.488 16 G N 2.422 111.207 108.800 -0.026 0.000 2.143 16 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.249 16 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.249 16 G C -0.354 174.527 174.900 -0.031 0.000 0.981 16 G CA 0.124 45.205 45.100 -0.031 0.000 0.665 16 G HN 0.976 nan 8.290 nan 0.000 0.528 17 D N -0.288 120.096 120.400 -0.026 0.000 2.175 17 D HA 0.643 5.283 4.640 -0.001 0.000 0.248 17 D C 0.371 176.652 176.300 -0.032 0.000 1.047 17 D CA -0.922 53.062 54.000 -0.027 0.000 0.883 17 D CB 1.358 42.145 40.800 -0.021 0.000 1.180 17 D HN 0.305 nan 8.370 nan 0.000 0.438 18 I N 0.726 121.272 120.570 -0.041 0.000 2.603 18 I HA 0.466 4.635 4.170 -0.001 0.000 0.300 18 I C -0.260 175.827 176.117 -0.051 0.000 1.017 18 I CA -1.086 60.182 61.300 -0.053 0.000 1.098 18 I CB 1.806 39.760 38.000 -0.076 0.000 1.279 18 I HN 0.503 nan 8.210 nan 0.000 0.437 19 K N 4.515 124.879 120.400 -0.060 0.000 2.543 19 K HA 0.543 4.862 4.320 -0.001 0.000 0.255 19 K C -2.066 174.472 176.600 -0.104 0.000 0.934 19 K CA -0.628 55.618 56.287 -0.068 0.000 0.810 19 K CB 2.225 34.692 32.500 -0.056 0.000 1.315 19 K HN 0.351 nan 8.250 nan 0.000 0.433 20 V N 4.395 124.251 119.914 -0.097 0.000 2.334 20 V HA 0.237 4.356 4.120 -0.001 0.000 0.267 20 V C -0.122 175.855 176.094 -0.194 0.000 1.040 20 V CA -0.457 61.777 62.300 -0.110 0.000 0.866 20 V CB 0.769 32.597 31.823 0.009 0.000 1.019 20 V HN 0.766 nan 8.190 nan 0.000 0.468 21 E N 4.088 124.029 120.200 -0.432 0.000 2.283 21 E HA 0.557 4.907 4.350 -0.001 0.000 0.267 21 E C -0.661 175.708 176.600 -0.385 0.000 1.045 21 E CA -0.558 55.538 56.400 -0.507 0.000 0.884 21 E CB 2.134 31.286 29.700 -0.914 0.000 1.106 21 E HN 0.681 nan 8.360 nan 0.000 0.408 22 E N 0.452 120.569 120.200 -0.139 0.000 2.336 22 E HA 0.450 4.799 4.350 -0.001 0.000 0.267 22 E C -1.157 175.570 176.600 0.211 0.000 0.906 22 E CA -0.802 55.606 56.400 0.014 0.000 0.781 22 E CB 1.854 31.539 29.700 -0.026 0.000 1.261 22 E HN 0.430 nan 8.360 nan 0.000 0.436 23 Y N -1.538 118.854 120.300 0.152 0.000 2.644 23 Y HA 0.541 5.091 4.550 -0.001 0.000 0.338 23 Y C -1.332 174.650 175.900 0.137 0.000 1.119 23 Y CA -1.366 56.842 58.100 0.180 0.000 1.060 23 Y CB 0.959 39.576 38.460 0.262 0.000 1.294 23 Y HN 0.384 nan 8.280 nan 0.000 0.472 24 D N -0.473 120.082 120.400 0.257 0.000 2.326 24 D HA 0.161 4.801 4.640 -0.001 0.000 0.248 24 D C 0.501 176.924 176.300 0.206 0.000 1.001 24 D CA -0.789 53.290 54.000 0.133 0.000 0.961 24 D CB 1.672 42.537 40.800 0.109 0.000 1.183 24 D HN 0.909 nan 8.370 nan 0.000 0.502 25 E N -0.537 119.742 120.200 0.131 0.000 2.219 25 E HA -0.241 4.109 4.350 -0.001 0.000 0.198 25 E C 1.059 177.750 176.600 0.152 0.000 0.998 25 E CA 1.102 57.615 56.400 0.189 0.000 0.818 25 E CB 0.233 30.026 29.700 0.155 0.000 0.741 25 E HN 0.353 nan 8.360 nan 0.000 0.477 26 E N 0.365 120.625 120.200 0.101 0.000 2.208 26 E HA -0.137 4.213 4.350 -0.001 0.000 0.193 26 E C 2.084 178.736 176.600 0.086 0.000 0.988 26 E CA 0.374 56.801 56.400 0.045 0.000 0.828 26 E CB -0.134 29.585 29.700 0.032 0.000 0.763 26 E HN 0.405 nan 8.360 nan 0.000 0.478 27 L N 0.282 121.610 121.223 0.175 0.000 2.072 27 L HA -0.108 4.232 4.340 -0.001 0.000 0.205 27 L C 2.258 179.277 176.870 0.249 0.000 1.079 27 L CA 1.195 56.143 54.840 0.181 0.000 0.752 27 L CB -0.231 41.941 42.059 0.188 0.000 0.906 27 L HN 0.051 nan 8.230 nan 0.000 0.436 28 A N -0.305 122.728 122.820 0.354 0.000 1.972 28 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 28 A C 2.179 180.010 177.584 0.413 0.000 1.169 28 A CA 1.591 53.897 52.037 0.449 0.000 0.635 28 A CB -0.367 18.993 19.000 0.601 0.000 0.810 28 A HN 0.388 nan 8.150 nan 0.000 0.446 29 K N -0.780 119.696 120.400 0.127 0.000 2.442 29 K HA -0.053 4.267 4.320 -0.001 0.000 0.198 29 K C 1.929 178.542 176.600 0.022 0.000 1.042 29 K CA 1.096 57.281 56.287 -0.171 0.000 0.958 29 K CB 0.009 32.275 32.500 -0.391 0.000 0.766 29 K HN 0.454 nan 8.250 nan 0.000 0.474 30 K N -0.801 119.597 120.400 -0.004 0.000 2.190 30 K HA -0.020 4.299 4.320 -0.001 0.000 0.202 30 K C 0.729 177.110 176.600 -0.365 0.000 1.045 30 K CA 0.635 56.774 56.287 -0.247 0.000 0.976 30 K CB 0.305 32.598 32.500 -0.344 0.000 0.849 30 K HN 0.112 nan 8.250 nan 0.000 0.468 31 W N 0.662 122.010 121.300 0.080 0.000 3.008 31 W HA 0.211 4.870 4.660 -0.001 0.000 0.355 31 W C 0.676 177.275 176.519 0.133 0.000 1.095 31 W CA -0.541 56.856 57.345 0.087 0.000 1.738 31 W CB 0.316 29.777 29.460 0.001 0.000 1.091 31 W HN 0.046 nan 8.180 nan 0.000 0.574 32 L N -0.013 121.436 121.223 0.377 0.000 3.415 32 L HA -0.298 4.041 4.340 -0.001 0.000 0.185 32 L C 0.868 177.893 176.870 0.258 0.000 4.448 32 L CA 2.677 57.730 54.840 0.355 0.000 0.483 32 L CB -1.427 40.815 42.059 0.304 0.000 3.552 32 L HN 0.329 nan 8.230 nan 0.000 0.712 33 G N -4.681 104.242 108.800 0.205 0.000 2.333 33 G HA2 0.466 4.426 3.960 -0.001 0.000 0.288 33 G HA3 0.466 4.426 3.960 -0.001 0.000 0.288 33 G C 0.103 175.059 174.900 0.093 0.000 1.286 33 G CA 0.696 45.876 45.100 0.133 0.000 0.865 33 G HN 1.248 nan 8.290 nan 0.000 0.506 34 S N -0.809 114.933 115.700 0.070 0.000 4.149 34 S HA -0.426 4.043 4.470 -0.001 0.000 0.538 34 S C 2.241 176.857 174.600 0.026 0.000 1.403 34 S CA 3.185 61.418 58.200 0.055 0.000 3.774 34 S CB -1.119 62.118 63.200 0.062 0.000 1.805 34 S HN 1.454 nan 8.310 nan 0.000 0.471 35 R N 0.889 121.408 120.500 0.032 0.000 2.096 35 R HA -0.102 4.237 4.340 -0.001 0.000 0.240 35 R C 2.478 178.799 176.300 0.035 0.000 1.139 35 R CA 2.271 58.381 56.100 0.016 0.000 0.952 35 R CB -1.299 29.020 30.300 0.032 0.000 0.854 35 R HN 0.604 nan 8.270 nan 0.000 0.436 36 G N 1.150 110.022 108.800 0.120 0.000 2.421 36 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.216 36 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.216 36 G C 1.328 176.289 174.900 0.102 0.000 1.171 36 G CA 0.742 45.992 45.100 0.249 0.000 0.775 36 G HN 0.339 nan 8.290 nan 0.000 0.543 37 L N 1.373 122.608 121.223 0.021 0.000 2.083 37 L HA 0.141 4.481 4.340 -0.001 0.000 0.209 37 L C 3.053 179.781 176.870 -0.237 0.000 1.083 37 L CA 2.086 56.834 54.840 -0.153 0.000 0.752 37 L CB -0.686 41.266 42.059 -0.179 0.000 0.899 37 L HN 0.242 nan 8.230 nan 0.000 0.433 38 A N -0.349 122.359 122.820 -0.188 0.000 1.865 38 A HA -0.248 4.072 4.320 -0.001 0.000 0.217 38 A C 2.275 179.684 177.584 -0.292 0.000 1.191 38 A CA 2.065 53.968 52.037 -0.223 0.000 0.623 38 A CB -1.047 17.858 19.000 -0.158 0.000 0.826 38 A HN 0.467 nan 8.150 nan 0.000 0.444 39 I N -1.568 118.830 120.570 -0.287 0.000 2.361 39 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 39 I C 2.152 177.953 176.117 -0.526 0.000 1.133 39 I CA 1.527 62.608 61.300 -0.365 0.000 1.413 39 I CB -0.587 37.270 38.000 -0.239 0.000 1.073 39 I HN 0.511 nan 8.210 nan 0.000 0.424 40 Y N 0.684 120.472 120.300 -0.852 0.000 2.114 40 Y HA -0.202 4.348 4.550 -0.001 0.000 0.284 40 Y C 2.178 177.737 175.900 -0.568 0.000 1.143 40 Y CA 1.974 59.453 58.100 -1.035 0.000 1.135 40 Y CB -0.540 37.017 38.460 -1.505 0.000 0.980 40 Y HN 0.159 nan 8.280 nan 0.000 0.499 41 L N -0.411 120.476 121.223 -0.560 0.000 2.046 41 L HA -0.259 4.080 4.340 -0.001 0.000 0.208 41 L C 2.558 179.185 176.870 -0.405 0.000 1.077 41 L CA 1.316 55.868 54.840 -0.481 0.000 0.747 41 L CB -0.726 41.124 42.059 -0.348 0.000 0.896 41 L HN 0.318 nan 8.230 nan 0.000 0.432 42 L N -0.589 120.415 121.223 -0.365 0.000 1.976 42 L HA -0.260 4.080 4.340 -0.001 0.000 0.209 42 L C 2.583 179.309 176.870 -0.240 0.000 1.071 42 L CA 1.372 56.058 54.840 -0.256 0.000 0.746 42 L CB -0.513 41.367 42.059 -0.298 0.000 0.890 42 L HN 0.258 nan 8.230 nan 0.000 0.432 43 L N -0.119 120.869 121.223 -0.391 0.000 2.081 43 L HA -0.284 4.056 4.340 -0.001 0.000 0.212 43 L C 2.617 179.209 176.870 -0.464 0.000 1.080 43 L CA 1.516 56.050 54.840 -0.510 0.000 0.754 43 L CB -0.347 41.086 42.059 -1.044 0.000 0.893 43 L HN 0.290 nan 8.230 nan 0.000 0.433 44 K N -0.426 119.693 120.400 -0.468 0.000 2.305 44 K HA -0.070 4.249 4.320 -0.001 0.000 0.199 44 K C 1.396 177.928 176.600 -0.112 0.000 1.047 44 K CA 0.800 56.973 56.287 -0.191 0.000 0.976 44 K CB 0.362 32.645 32.500 -0.361 0.000 0.765 44 K HN 0.384 nan 8.250 nan 0.000 0.474 45 E N -0.767 119.349 120.200 -0.140 0.000 2.474 45 E HA 0.116 4.465 4.350 -0.001 0.000 0.215 45 E C 0.064 176.637 176.600 -0.045 0.000 0.867 45 E CA -0.192 56.165 56.400 -0.071 0.000 1.135 45 E CB 0.728 30.388 29.700 -0.066 0.000 1.147 45 E HN 0.111 nan 8.360 nan 0.000 0.534 46 M N 1.928 121.500 119.600 -0.046 0.000 2.404 46 M HA 0.212 4.692 4.480 -0.001 0.000 0.338 46 M C -1.246 175.045 176.300 -0.015 0.000 1.150 46 M CA -0.761 54.533 55.300 -0.011 0.000 1.016 46 M CB 1.591 34.205 32.600 0.023 0.000 1.672 46 M HN -0.229 nan 8.290 nan 0.000 0.448 47 D N 5.203 125.585 120.400 -0.030 0.000 2.343 47 D HA 0.203 4.843 4.640 -0.001 0.000 0.255 47 D C -2.015 174.222 176.300 -0.106 0.000 1.187 47 D CA -1.781 52.178 54.000 -0.069 0.000 0.875 47 D CB 1.358 42.123 40.800 -0.058 0.000 1.136 47 D HN 0.318 nan 8.370 nan 0.000 0.469 48 P HA -0.070 nan 4.420 nan 0.000 0.228 48 P C 0.773 177.873 177.300 -0.334 0.000 1.151 48 P CA 1.100 63.882 63.100 -0.531 0.000 0.770 48 P CB 0.137 31.322 31.700 -0.859 0.000 0.786 49 T N -4.524 109.913 114.554 -0.195 0.000 3.122 49 T HA 0.159 4.508 4.350 -0.001 0.000 0.250 49 T C 0.703 175.353 174.700 -0.082 0.000 1.067 49 T CA -0.339 61.681 62.100 -0.133 0.000 0.966 49 T CB -1.203 67.597 68.868 -0.114 0.000 1.002 49 T HN -0.059 nan 8.240 nan 0.000 0.542 50 V N 0.100 119.979 119.914 -0.059 0.000 3.032 50 V HA 0.280 4.400 4.120 -0.001 0.000 0.307 50 V C 0.200 176.277 176.094 -0.029 0.000 1.097 50 V CA -1.046 61.235 62.300 -0.033 0.000 1.191 50 V CB 0.153 31.969 31.823 -0.011 0.000 0.964 50 V HN 0.287 nan 8.190 nan 0.000 0.494 51 D N 3.877 124.261 120.400 -0.027 0.000 2.343 51 D HA 0.317 4.956 4.640 -0.001 0.000 0.255 51 D C -1.585 174.705 176.300 -0.016 0.000 1.187 51 D CA -1.956 52.027 54.000 -0.028 0.000 0.875 51 D CB 1.545 42.329 40.800 -0.027 0.000 1.136 51 D HN 0.399 nan 8.370 nan 0.000 0.469 52 P HA -0.118 nan 4.420 nan 0.000 0.218 52 P C 0.818 178.115 177.300 -0.005 0.000 1.146 52 P CA 1.066 64.163 63.100 -0.005 0.000 0.813 52 P CB 0.173 31.866 31.700 -0.012 0.000 0.778 53 L N -1.911 119.306 121.223 -0.010 0.000 2.667 53 L HA 0.141 4.480 4.340 -0.001 0.000 0.232 53 L C 0.986 177.853 176.870 -0.004 0.000 1.138 53 L CA -0.165 54.671 54.840 -0.005 0.000 0.921 53 L CB -0.240 41.815 42.059 -0.007 0.000 1.180 53 L HN -0.011 nan 8.230 nan 0.000 0.487 54 S N -1.432 114.263 115.700 -0.007 0.000 2.646 54 S HA 0.361 4.830 4.470 -0.001 0.000 0.276 54 S C -1.913 172.683 174.600 -0.006 0.000 1.222 54 S CA -1.225 56.970 58.200 -0.009 0.000 1.014 54 S CB 1.234 64.426 63.200 -0.013 0.000 0.991 54 S HN -0.166 nan 8.310 nan 0.000 0.533 55 P HA -0.001 nan 4.420 nan 0.000 0.228 55 P C 0.618 177.915 177.300 -0.006 0.000 1.151 55 P CA 0.864 63.961 63.100 -0.006 0.000 0.770 55 P CB 0.001 31.695 31.700 -0.010 0.000 0.786 56 E N -1.034 119.162 120.200 -0.007 0.000 2.285 56 E HA -0.059 4.290 4.350 -0.001 0.000 0.194 56 E C 0.911 177.510 176.600 -0.002 0.000 0.997 56 E CA 0.094 56.490 56.400 -0.006 0.000 0.845 56 E CB -0.326 29.368 29.700 -0.010 0.000 0.782 56 E HN 0.364 nan 8.360 nan 0.000 0.491 57 N N 1.275 119.975 118.700 0.000 0.000 2.479 57 N HA -0.008 4.731 4.740 -0.001 0.000 0.257 57 N C -0.737 174.772 175.510 -0.002 0.000 1.232 57 N CA 0.162 53.215 53.050 0.006 0.000 0.920 57 N CB 0.461 38.953 38.487 0.008 0.000 1.105 57 N HN -0.117 nan 8.380 nan 0.000 0.444 58 K N 2.193 122.587 120.400 -0.010 0.000 2.259 58 K HA 0.388 4.707 4.320 -0.001 0.000 0.252 58 K C -1.153 175.428 176.600 -0.033 0.000 0.936 58 K CA -0.829 55.445 56.287 -0.022 0.000 0.810 58 K CB 2.044 34.522 32.500 -0.036 0.000 1.143 58 K HN 0.340 nan 8.250 nan 0.000 0.427 59 L N 4.129 125.339 121.223 -0.022 0.000 2.298 59 L HA 0.477 4.816 4.340 -0.001 0.000 0.284 59 L C -1.269 175.588 176.870 -0.021 0.000 1.013 59 L CA -0.294 54.534 54.840 -0.020 0.000 0.824 59 L CB 0.831 42.890 42.059 -0.000 0.000 1.221 59 L HN 0.556 nan 8.230 nan 0.000 0.418 60 I N 6.349 126.897 120.570 -0.037 0.000 2.355 60 I HA 0.347 4.517 4.170 -0.001 0.000 0.288 60 I C -0.778 175.349 176.117 0.017 0.000 0.999 60 I CA -0.512 60.764 61.300 -0.039 0.000 1.163 60 I CB 1.587 39.524 38.000 -0.105 0.000 1.316 60 I HN 0.476 nan 8.210 nan 0.000 0.454 61 I N 6.352 126.959 120.570 0.061 0.000 2.330 61 I HA 0.558 4.727 4.170 -0.001 0.000 0.289 61 I C 0.127 176.331 176.117 0.144 0.000 1.001 61 I CA 0.122 61.517 61.300 0.158 0.000 1.193 61 I CB 1.529 39.625 38.000 0.159 0.000 1.345 61 I HN 0.606 nan 8.210 nan 0.000 0.461 62 A N 5.021 127.960 122.820 0.199 0.000 2.398 62 A HA 0.928 5.247 4.320 -0.001 0.000 0.301 62 A C -0.435 177.271 177.584 0.202 0.000 1.041 62 A CA -0.541 51.583 52.037 0.145 0.000 0.711 62 A CB 1.236 20.266 19.000 0.051 0.000 1.240 62 A HN 0.728 nan 8.150 nan 0.000 0.420 63 A N 1.238 124.156 122.820 0.162 0.000 2.246 63 A HA 0.882 5.202 4.320 -0.001 0.000 0.291 63 A C 0.614 178.266 177.584 0.114 0.000 1.103 63 A CA 0.067 52.193 52.037 0.149 0.000 0.844 63 A CB 0.582 19.632 19.000 0.083 0.000 1.136 63 A HN 1.899 nan 8.150 nan 0.000 0.500 64 G N -1.685 107.164 108.800 0.082 0.000 2.511 64 G HA2 0.564 4.523 3.960 -0.001 0.000 0.318 64 G HA3 0.564 4.523 3.960 -0.001 0.000 0.318 64 G C -1.806 173.107 174.900 0.023 0.000 1.210 64 G CA -1.249 43.885 45.100 0.058 0.000 0.969 64 G HN 0.384 nan 8.290 nan 0.000 0.484 65 P HA -0.136 nan 4.420 nan 0.000 0.216 65 P C 1.496 178.732 177.300 -0.107 0.000 1.154 65 P CA 1.122 64.174 63.100 -0.079 0.000 0.865 65 P CB 0.287 31.913 31.700 -0.124 0.000 0.789 66 L N -1.227 119.960 121.223 -0.060 0.000 2.591 66 L HA 0.089 4.429 4.340 -0.001 0.000 0.228 66 L C 0.657 177.552 176.870 0.041 0.000 1.133 66 L CA 0.187 55.019 54.840 -0.013 0.000 0.880 66 L CB -0.949 41.130 42.059 0.033 0.000 1.033 66 L HN -0.112 nan 8.230 nan 0.000 0.450 67 T N 0.785 115.347 114.554 0.014 0.000 2.799 67 T HA 0.349 4.699 4.350 -0.001 0.000 0.296 67 T C 1.138 175.811 174.700 -0.044 0.000 0.947 67 T CA 0.775 62.882 62.100 0.011 0.000 1.141 67 T CB 1.086 69.952 68.868 -0.003 0.000 0.891 67 T HN 0.538 nan 8.240 nan 0.000 0.533 68 G N 2.875 111.660 108.800 -0.025 0.000 2.176 68 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.232 68 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.232 68 G C 0.428 175.533 174.900 0.341 0.000 0.986 68 G CA 0.193 45.247 45.100 -0.078 0.000 0.643 68 G HN 1.069 nan 8.290 nan 0.000 0.522 69 T N -2.611 112.134 114.554 0.318 0.000 2.892 69 T HA 0.679 5.029 4.350 -0.001 0.000 0.280 69 T C 1.352 176.288 174.700 0.394 0.000 1.004 69 T CA 0.712 63.012 62.100 0.334 0.000 0.950 69 T CB 1.474 70.488 68.868 0.244 0.000 1.309 69 T HN 0.311 nan 8.240 nan 0.000 0.592 70 S N 0.230 116.160 115.700 0.384 0.000 2.593 70 S HA 0.430 4.899 4.470 -0.001 0.000 0.217 70 S C 1.047 175.688 174.600 0.068 0.000 0.966 70 S CA -0.192 58.116 58.200 0.180 0.000 0.914 70 S CB -0.678 62.581 63.200 0.099 0.000 0.776 70 S HN 0.991 nan 8.310 nan 0.000 0.523 71 A N 4.058 127.001 122.820 0.205 0.000 2.546 71 A HA 0.296 4.615 4.320 -0.001 0.000 0.243 71 A C -2.212 175.407 177.584 0.057 0.000 1.063 71 A CA -1.144 50.962 52.037 0.114 0.000 0.757 71 A CB -0.285 18.872 19.000 0.262 0.000 0.991 71 A HN 0.141 nan 8.150 nan 0.000 0.503 72 P HA 0.003 nan 4.420 nan 0.000 0.260 72 P C 0.518 177.844 177.300 0.043 0.000 1.185 72 P CA 1.600 64.704 63.100 0.007 0.000 0.763 72 P CB 0.163 31.861 31.700 -0.004 0.000 0.776 73 T N -1.356 113.216 114.554 0.030 0.000 5.383 73 T HA -0.162 4.188 4.350 -0.001 0.000 0.279 73 T C 0.616 175.360 174.700 0.072 0.000 1.930 73 T CA 0.723 62.847 62.100 0.039 0.000 3.248 73 T CB -2.638 66.255 68.868 0.043 0.000 1.367 73 T HN 0.688 nan 8.240 nan 0.000 1.030 74 G N 0.303 109.172 108.800 0.116 0.000 3.008 74 G HA2 0.518 4.477 3.960 -0.001 0.000 0.272 74 G HA3 0.518 4.477 3.960 -0.001 0.000 0.272 74 G C 0.768 175.821 174.900 0.256 0.000 0.764 74 G CA -0.033 45.167 45.100 0.166 0.000 2.029 74 G HN 1.470 nan 8.290 nan 0.000 0.587 75 G N 0.860 109.766 108.800 0.176 0.000 4.956 75 G HA2 0.177 4.136 3.960 -0.001 0.000 0.263 75 G HA3 0.177 4.136 3.960 -0.001 0.000 0.263 75 G C 0.458 175.416 174.900 0.097 0.000 0.958 75 G CA -0.592 44.604 45.100 0.160 0.000 0.749 75 G HN 0.382 nan 8.290 nan 0.000 0.356 76 R N 0.210 120.759 120.500 0.081 0.000 2.573 76 R HA 0.646 4.986 4.340 -0.001 0.000 0.272 76 R C -0.804 175.587 176.300 0.151 0.000 1.009 76 R CA -0.525 55.616 56.100 0.069 0.000 1.059 76 R CB 1.389 31.675 30.300 -0.023 0.000 1.112 76 R HN 0.401 nan 8.270 nan 0.000 0.517 77 Y N -1.754 118.560 120.300 0.023 0.000 2.655 77 Y HA 0.506 5.056 4.550 -0.000 0.000 0.336 77 Y C -1.268 174.648 175.900 0.027 0.000 1.154 77 Y CA -1.236 56.888 58.100 0.040 0.000 1.055 77 Y CB 1.549 40.068 38.460 0.097 0.000 1.295 77 Y HN 0.350 nan 8.280 nan 0.000 0.465 78 N N 0.425 119.134 118.700 0.015 0.000 2.265 78 N HA 0.615 5.355 4.740 -0.001 0.000 0.300 78 N C -1.841 173.698 175.510 0.050 0.000 1.148 78 N CA -0.700 52.295 53.050 -0.092 0.000 0.772 78 N CB 2.931 41.393 38.487 -0.041 0.000 1.434 78 N HN 0.495 nan 8.380 nan 0.000 0.481 79 V N 1.778 121.679 119.914 -0.021 0.000 2.417 79 V HA 0.483 4.602 4.120 -0.001 0.000 0.291 79 V C -0.186 175.891 176.094 -0.027 0.000 1.024 79 V CA -0.629 61.692 62.300 0.035 0.000 0.861 79 V CB 1.733 33.577 31.823 0.035 0.000 0.985 79 V HN 0.332 nan 8.190 nan 0.000 0.436 80 V N 3.836 123.724 119.914 -0.044 0.000 2.656 80 V HA 0.893 5.013 4.120 -0.001 0.000 0.307 80 V C -0.147 175.880 176.094 -0.113 0.000 1.051 80 V CA -0.214 62.027 62.300 -0.098 0.000 0.893 80 V CB 2.065 33.806 31.823 -0.137 0.000 0.999 80 V HN 1.000 nan 8.190 nan 0.000 0.426 81 T N 2.551 117.024 114.554 -0.134 0.000 2.686 81 T HA 0.307 4.656 4.350 -0.001 0.000 0.308 81 T C -1.680 172.949 174.700 -0.120 0.000 1.667 81 T CA -0.717 61.312 62.100 -0.119 0.000 0.987 81 T CB 1.707 70.541 68.868 -0.057 0.000 1.652 81 T HN 0.750 nan 8.240 nan 0.000 0.496 82 K N 1.667 122.037 120.400 -0.050 0.000 2.297 82 K HA 0.473 4.792 4.320 -0.001 0.000 0.286 82 K C -0.068 176.545 176.600 0.021 0.000 1.053 82 K CA -0.271 56.040 56.287 0.039 0.000 0.940 82 K CB 0.784 33.381 32.500 0.162 0.000 1.019 82 K HN 0.530 nan 8.250 nan 0.000 0.475 83 S N 5.361 121.076 115.700 0.026 0.000 2.510 83 S HA 0.161 4.631 4.470 -0.001 0.000 0.279 83 S C -1.446 173.149 174.600 -0.009 0.000 1.284 83 S CA -1.426 56.782 58.200 0.013 0.000 1.059 83 S CB 0.774 63.992 63.200 0.031 0.000 0.901 83 S HN 0.575 nan 8.310 nan 0.000 0.491 84 P HA 0.010 nan 4.420 nan 0.000 0.241 84 P C 1.157 178.451 177.300 -0.009 0.000 1.191 84 P CA 0.169 63.261 63.100 -0.014 0.000 0.771 84 P CB 0.194 31.889 31.700 -0.008 0.000 0.929 85 L N 0.714 121.944 121.223 0.012 0.000 2.189 85 L HA 0.053 4.392 4.340 -0.001 0.000 0.199 85 L C 2.288 179.153 176.870 -0.008 0.000 1.074 85 L CA 2.401 57.264 54.840 0.037 0.000 0.783 85 L CB -1.305 40.810 42.059 0.093 0.000 0.955 85 L HN -0.044 nan 8.230 nan 0.000 0.460 86 T N -4.367 110.170 114.554 -0.030 0.000 3.040 86 T HA 0.312 4.662 4.350 -0.001 0.000 0.252 86 T C 1.525 176.016 174.700 -0.349 0.000 1.064 86 T CA 0.493 62.541 62.100 -0.087 0.000 1.110 86 T CB 0.067 68.973 68.868 0.063 0.000 0.921 86 T HN 0.631 nan 8.240 nan 0.000 0.480 87 G N 0.772 109.394 108.800 -0.297 0.000 2.175 87 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.244 87 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.244 87 G C -0.140 174.467 174.900 -0.489 0.000 0.982 87 G CA 0.090 44.925 45.100 -0.442 0.000 0.641 87 G HN 0.521 nan 8.290 nan 0.000 0.527 88 F N -0.847 119.135 119.950 0.054 0.000 2.712 88 F HA 0.822 5.348 4.527 -0.001 0.000 0.367 88 F C 0.684 176.541 175.800 0.096 0.000 1.132 88 F CA -1.985 56.077 58.000 0.104 0.000 1.066 88 F CB 0.176 39.206 39.000 0.049 0.000 1.416 88 F HN 0.007 nan 8.300 nan 0.000 0.515 89 I N 0.438 121.191 120.570 0.304 0.000 2.892 89 I HA 0.272 4.442 4.170 -0.001 0.000 0.287 89 I C 0.159 176.257 176.117 -0.031 0.000 1.205 89 I CA 0.945 62.209 61.300 -0.059 0.000 1.409 89 I CB 0.558 38.389 38.000 -0.283 0.000 1.367 89 I HN 0.508 nan 8.210 nan 0.000 0.597 90 T N 7.375 121.874 114.554 -0.092 0.000 3.032 90 T HA 0.663 5.012 4.350 -0.001 0.000 0.312 90 T C -1.203 173.449 174.700 -0.079 0.000 1.078 90 T CA -0.803 61.267 62.100 -0.050 0.000 1.028 90 T CB 0.518 69.382 68.868 -0.007 0.000 1.091 90 T HN 0.396 nan 8.240 nan 0.000 0.457 91 M N 3.841 123.404 119.600 -0.061 0.000 2.190 91 M HA 0.803 5.282 4.480 -0.001 0.000 0.312 91 M C -0.334 175.937 176.300 -0.049 0.000 0.990 91 M CA -0.773 54.489 55.300 -0.063 0.000 0.927 91 M CB 1.614 34.181 32.600 -0.056 0.000 1.571 91 M HN 0.562 nan 8.290 nan 0.000 0.427 92 A N 2.738 125.519 122.820 -0.065 0.000 2.304 92 A HA 0.712 5.031 4.320 -0.001 0.000 0.314 92 A C -0.824 176.668 177.584 -0.154 0.000 1.187 92 A CA -0.706 51.284 52.037 -0.078 0.000 0.810 92 A CB 0.695 19.661 19.000 -0.058 0.000 1.183 92 A HN 0.810 nan 8.150 nan 0.000 0.487 93 N N 1.384 119.986 118.700 -0.163 0.000 2.498 93 N HA 0.510 5.250 4.740 -0.001 0.000 0.287 93 N C -0.932 174.396 175.510 -0.303 0.000 1.097 93 N CA 0.260 53.162 53.050 -0.247 0.000 0.973 93 N CB 1.547 39.930 38.487 -0.174 0.000 1.153 93 N HN 0.530 nan 8.380 nan 0.000 0.472 94 S N 0.582 115.992 115.700 -0.484 0.000 2.546 94 S HA 0.731 5.200 4.470 -0.001 0.000 0.274 94 S C -0.002 174.472 174.600 -0.210 0.000 1.121 94 S CA -0.566 57.414 58.200 -0.366 0.000 0.887 94 S CB 1.185 64.125 63.200 -0.434 0.000 1.094 94 S HN 0.691 nan 8.310 nan 0.000 0.474 95 G N 1.535 110.308 108.800 -0.044 0.000 3.134 95 G HA2 0.752 4.712 3.960 -0.001 0.000 0.158 95 G HA3 0.752 4.712 3.960 -0.001 0.000 0.158 95 G C 0.783 175.748 174.900 0.109 0.000 1.334 95 G CA 0.083 45.198 45.100 0.025 0.000 1.001 95 G HN 1.817 nan 8.290 nan 0.000 0.600 96 G N -1.265 107.551 108.800 0.025 0.000 2.496 96 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.243 96 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.243 96 G C 0.311 175.088 174.900 -0.206 0.000 1.176 96 G CA 0.754 45.876 45.100 0.037 0.000 0.940 96 G HN 0.944 nan 8.290 nan 0.000 0.573 97 Y N -1.033 119.406 120.300 0.231 0.000 2.499 97 Y HA 0.418 4.968 4.550 -0.001 0.000 0.253 97 Y C 1.949 177.900 175.900 0.086 0.000 1.105 97 Y CA 0.519 58.725 58.100 0.176 0.000 1.240 97 Y CB 0.019 38.599 38.460 0.199 0.000 1.289 97 Y HN 0.468 nan 8.280 nan 0.000 0.534 98 F N 1.058 121.081 119.950 0.122 0.000 2.095 98 F HA -0.090 4.436 4.527 -0.001 0.000 0.298 98 F C 2.200 177.895 175.800 -0.175 0.000 1.104 98 F CA 2.143 60.129 58.000 -0.024 0.000 1.232 98 F CB -0.518 38.448 39.000 -0.057 0.000 0.987 98 F HN 0.034 nan 8.300 nan 0.000 0.475 99 G N -0.237 108.545 108.800 -0.029 0.000 2.446 99 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.217 99 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.217 99 G C 1.811 176.488 174.900 -0.372 0.000 1.168 99 G CA 0.916 45.918 45.100 -0.163 0.000 0.771 99 G HN 0.633 nan 8.290 nan 0.000 0.551 100 A N 0.610 123.140 122.820 -0.483 0.000 1.902 100 A HA -0.011 4.308 4.320 -0.001 0.000 0.217 100 A C 2.179 178.971 177.584 -1.319 0.000 1.181 100 A CA 2.199 53.636 52.037 -1.000 0.000 0.623 100 A CB -0.427 17.711 19.000 -1.437 0.000 0.818 100 A HN 0.382 nan 8.150 nan 0.000 0.443 101 E N -0.435 119.324 120.200 -0.737 0.000 2.085 101 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 101 E C 1.784 178.159 176.600 -0.375 0.000 0.994 101 E CA 1.189 57.346 56.400 -0.405 0.000 0.801 101 E CB -0.344 29.241 29.700 -0.191 0.000 0.743 101 E HN 0.437 nan 8.360 nan 0.000 0.453 102 L N 0.647 121.562 121.223 -0.513 0.000 2.046 102 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 102 L C 1.799 178.593 176.870 -0.127 0.000 1.077 102 L CA 1.830 56.465 54.840 -0.341 0.000 0.747 102 L CB -0.311 41.489 42.059 -0.431 0.000 0.896 102 L HN -0.025 nan 8.230 nan 0.000 0.432 103 K N -0.818 119.472 120.400 -0.183 0.000 2.148 103 K HA -0.095 4.225 4.320 -0.001 0.000 0.204 103 K C 2.017 178.801 176.600 0.307 0.000 1.050 103 K CA 1.200 57.559 56.287 0.119 0.000 0.942 103 K CB -0.506 31.965 32.500 -0.049 0.000 0.724 103 K HN 0.293 nan 8.250 nan 0.000 0.446 104 F N 0.766 120.770 119.950 0.090 0.000 2.407 104 F HA 0.020 4.546 4.527 -0.001 0.000 0.299 104 F C 2.202 177.969 175.800 -0.055 0.000 1.097 104 F CA 0.249 58.290 58.000 0.069 0.000 1.422 104 F CB -1.075 37.933 39.000 0.014 0.000 1.067 104 F HN -0.052 nan 8.300 nan 0.000 0.539 105 A N -0.452 122.398 122.820 0.050 0.000 2.119 105 A HA 0.394 4.714 4.320 -0.001 0.000 0.216 105 A C 1.969 179.262 177.584 -0.486 0.000 1.152 105 A CA 0.987 52.975 52.037 -0.082 0.000 0.708 105 A CB -0.932 18.106 19.000 0.064 0.000 0.805 105 A HN 0.591 nan 8.150 nan 0.000 0.460 106 G N -2.601 105.765 108.800 -0.724 0.000 2.141 106 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.195 106 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.195 106 G C -0.319 173.592 174.900 -1.649 0.000 1.012 106 G CA 0.108 44.187 45.100 -1.701 0.000 0.696 106 G HN 0.468 nan 8.290 nan 0.000 0.508 107 Y N -0.635 119.398 120.300 -0.446 0.000 2.545 107 Y HA 0.602 5.152 4.550 -0.001 0.000 0.348 107 Y C 0.681 176.682 175.900 0.168 0.000 1.002 107 Y CA -1.132 56.908 58.100 -0.101 0.000 1.039 107 Y CB 1.493 39.912 38.460 -0.068 0.000 1.271 107 Y HN -0.031 nan 8.280 nan 0.000 0.467 108 D N 0.661 121.327 120.400 0.442 0.000 2.277 108 D HA 0.356 4.995 4.640 -0.001 0.000 0.209 108 D C 0.259 176.717 176.300 0.263 0.000 0.970 108 D CA 0.904 55.135 54.000 0.385 0.000 0.874 108 D CB 0.664 41.744 40.800 0.467 0.000 0.982 108 D HN 0.533 nan 8.370 nan 0.000 0.504 109 A N -0.163 122.825 122.820 0.280 0.000 2.581 109 A HA 0.693 5.012 4.320 -0.001 0.000 0.290 109 A C -1.711 175.972 177.584 0.165 0.000 1.119 109 A CA -0.602 51.533 52.037 0.163 0.000 0.670 109 A CB 1.135 20.164 19.000 0.048 0.000 1.280 109 A HN -0.006 nan 8.150 nan 0.000 0.425 110 I N 0.719 121.344 120.570 0.092 0.000 2.512 110 I HA 0.406 4.575 4.170 -0.001 0.000 0.287 110 I C -1.130 175.022 176.117 0.058 0.000 1.069 110 I CA -0.841 60.503 61.300 0.073 0.000 1.056 110 I CB 2.055 40.073 38.000 0.031 0.000 1.229 110 I HN 0.280 nan 8.210 nan 0.000 0.429 111 V N 7.118 127.089 119.914 0.095 0.000 2.328 111 V HA 0.313 4.433 4.120 -0.001 0.000 0.278 111 V C 0.098 176.220 176.094 0.046 0.000 1.021 111 V CA -0.595 61.734 62.300 0.048 0.000 0.838 111 V CB 1.654 33.525 31.823 0.081 0.000 0.999 111 V HN 0.402 nan 8.190 nan 0.000 0.447 112 V N 5.683 125.609 119.914 0.021 0.000 2.439 112 V HA 0.519 4.639 4.120 -0.001 0.000 0.282 112 V C 0.055 176.155 176.094 0.010 0.000 1.039 112 V CA -0.449 61.861 62.300 0.017 0.000 0.913 112 V CB 1.523 33.357 31.823 0.018 0.000 0.983 112 V HN 0.961 nan 8.190 nan 0.000 0.460 113 E N 2.116 122.322 120.200 0.009 0.000 2.410 113 E HA 0.738 5.088 4.350 -0.001 0.000 0.269 113 E C 0.376 176.976 176.600 0.000 0.000 0.937 113 E CA -0.290 56.112 56.400 0.004 0.000 0.793 113 E CB 2.075 31.779 29.700 0.007 0.000 1.314 113 E HN 0.972 nan 8.360 nan 0.000 0.447 114 G N 1.297 110.096 108.800 -0.003 0.000 2.569 114 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.259 114 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.259 114 G C -0.596 174.300 174.900 -0.008 0.000 1.263 114 G CA 0.489 45.585 45.100 -0.007 0.000 0.928 114 G HN 0.632 nan 8.290 nan 0.000 0.572 115 K N -0.734 119.658 120.400 -0.015 0.000 2.571 115 K HA 0.652 4.972 4.320 -0.001 0.000 0.252 115 K C 0.111 176.691 176.600 -0.033 0.000 0.956 115 K CA -0.068 56.207 56.287 -0.019 0.000 0.822 115 K CB 1.296 33.784 32.500 -0.020 0.000 1.286 115 K HN 1.690 nan 8.250 nan 0.000 0.439 116 A N 2.805 125.599 122.820 -0.043 0.000 2.366 116 A HA 0.186 4.505 4.320 -0.001 0.000 0.249 116 A C 0.526 178.062 177.584 -0.081 0.000 1.084 116 A CA -0.062 51.939 52.037 -0.060 0.000 0.794 116 A CB 0.319 19.279 19.000 -0.067 0.000 1.034 116 A HN 0.963 nan 8.150 nan 0.000 0.491 117 E N -0.241 119.910 120.200 -0.082 0.000 2.230 117 E HA -0.036 4.314 4.350 -0.001 0.000 0.192 117 E C -0.219 176.303 176.600 -0.130 0.000 0.987 117 E CA 1.149 57.495 56.400 -0.089 0.000 0.841 117 E CB 0.030 29.689 29.700 -0.069 0.000 0.783 117 E HN 0.640 nan 8.360 nan 0.000 0.481 118 K N -0.030 120.278 120.400 -0.153 0.000 2.508 118 K HA 0.344 4.664 4.320 -0.001 0.000 0.260 118 K C -2.987 173.454 176.600 -0.264 0.000 0.949 118 K CA -2.431 53.726 56.287 -0.217 0.000 0.834 118 K CB 0.855 33.265 32.500 -0.150 0.000 1.365 118 K HN -0.332 nan 8.250 nan 0.000 0.437 119 P HA -0.037 nan 4.420 nan 0.000 0.263 119 P C -0.365 176.867 177.300 -0.113 0.000 1.175 119 P CA -0.224 62.635 63.100 -0.401 0.000 0.761 119 P CB 0.508 31.811 31.700 -0.662 0.000 0.794 120 V N 1.284 121.191 119.914 -0.012 0.000 3.182 120 V HA 0.833 4.952 4.120 -0.001 0.000 0.308 120 V C -1.331 174.863 176.094 0.168 0.000 1.240 120 V CA -1.189 61.134 62.300 0.039 0.000 1.063 120 V CB 2.020 33.826 31.823 -0.028 0.000 1.076 120 V HN 0.613 nan 8.190 nan 0.000 0.446 121 Y N -0.764 119.553 120.300 0.030 0.000 2.544 121 Y HA 0.845 5.395 4.550 -0.001 0.000 0.342 121 Y C -1.244 174.688 175.900 0.053 0.000 1.062 121 Y CA -1.603 56.523 58.100 0.044 0.000 1.023 121 Y CB 1.611 40.096 38.460 0.040 0.000 1.308 121 Y HN 0.675 nan 8.280 nan 0.000 0.457 122 I N 4.592 125.293 120.570 0.218 0.000 2.304 122 I HA 0.179 4.349 4.170 -0.001 0.000 0.291 122 I C -1.123 175.141 176.117 0.244 0.000 1.018 122 I CA -0.792 60.572 61.300 0.106 0.000 1.260 122 I CB 0.706 38.740 38.000 0.057 0.000 1.390 122 I HN 0.628 nan 8.210 nan 0.000 0.475 123 Y N 8.305 128.595 120.300 -0.017 0.000 2.328 123 Y HA 0.630 5.180 4.550 -0.001 0.000 0.337 123 Y C -0.676 175.184 175.900 -0.066 0.000 1.008 123 Y CA -1.333 56.792 58.100 0.041 0.000 1.129 123 Y CB 0.820 39.298 38.460 0.029 0.000 1.185 123 Y HN 0.354 nan 8.280 nan 0.000 0.476 124 I N 6.854 127.206 120.570 -0.364 0.000 2.466 124 I HA 0.374 4.544 4.170 -0.001 0.000 0.289 124 I C -0.840 175.001 176.117 -0.460 0.000 1.026 124 I CA -0.874 60.175 61.300 -0.419 0.000 1.078 124 I CB 1.952 39.830 38.000 -0.203 0.000 1.249 124 I HN 0.478 nan 8.210 nan 0.000 0.429 125 K N 6.614 126.778 120.400 -0.393 0.000 2.675 125 K HA 0.254 4.573 4.320 -0.001 0.000 0.224 125 K C -0.677 175.901 176.600 -0.037 0.000 1.003 125 K CA -0.309 55.867 56.287 -0.184 0.000 1.034 125 K CB 0.610 33.012 32.500 -0.164 0.000 1.218 125 K HN 0.702 nan 8.250 nan 0.000 0.507 126 D N 2.009 122.409 120.400 -0.000 0.000 3.996 126 D HA -0.260 4.379 4.640 -0.001 0.000 0.140 126 D C 0.530 176.870 176.300 0.067 0.000 0.829 126 D CA 1.923 55.913 54.000 -0.017 0.000 1.111 126 D CB -0.251 40.519 40.800 -0.051 0.000 0.516 126 D HN 0.687 nan 8.370 nan 0.000 0.517 127 E N 0.068 120.282 120.200 0.024 0.000 2.427 127 E HA -0.007 4.342 4.350 -0.001 0.000 0.196 127 E C 0.685 177.353 176.600 0.113 0.000 1.028 127 E CA 0.469 56.919 56.400 0.083 0.000 0.864 127 E CB -0.130 29.574 29.700 0.006 0.000 0.813 127 E HN 0.367 nan 8.360 nan 0.000 0.514 128 H N 0.852 119.894 119.070 -0.046 0.000 2.864 128 H HA 0.277 4.833 4.556 -0.001 0.000 0.281 128 H C -0.699 174.539 175.328 -0.150 0.000 1.093 128 H CA -0.534 55.458 56.048 -0.093 0.000 1.453 128 H CB -0.272 29.420 29.762 -0.116 0.000 1.462 128 H HN -0.056 nan 8.280 nan 0.000 0.480 129 I N 4.530 124.893 120.570 -0.344 0.000 2.404 129 I HA 0.332 4.502 4.170 -0.001 0.000 0.293 129 I C -0.136 175.714 176.117 -0.445 0.000 0.992 129 I CA -0.583 60.488 61.300 -0.382 0.000 1.149 129 I CB 1.738 39.584 38.000 -0.256 0.000 1.315 129 I HN 0.583 nan 8.210 nan 0.000 0.446 130 E N 6.132 126.098 120.200 -0.389 0.000 2.343 130 E HA 0.531 4.880 4.350 -0.001 0.000 0.278 130 E C -1.640 174.866 176.600 -0.156 0.000 0.910 130 E CA -0.672 55.568 56.400 -0.267 0.000 0.757 130 E CB 2.519 32.035 29.700 -0.307 0.000 1.218 130 E HN 0.508 nan 8.360 nan 0.000 0.435 131 I N 4.198 124.688 120.570 -0.133 0.000 2.328 131 I HA 0.403 4.572 4.170 -0.001 0.000 0.287 131 I C 0.031 176.038 176.117 -0.184 0.000 1.012 131 I CA -0.459 60.758 61.300 -0.139 0.000 1.195 131 I CB 1.050 38.995 38.000 -0.092 0.000 1.350 131 I HN 0.304 nan 8.210 nan 0.000 0.464 132 R N 3.222 123.514 120.500 -0.347 0.000 2.720 132 R HA 0.356 4.695 4.340 -0.001 0.000 0.272 132 R C -0.790 175.349 176.300 -0.268 0.000 0.991 132 R CA -0.984 54.880 56.100 -0.392 0.000 1.010 132 R CB 1.548 31.408 30.300 -0.734 0.000 1.141 132 R HN 0.470 nan 8.270 nan 0.000 0.494 133 D N 0.170 120.520 120.400 -0.084 0.000 2.390 133 D HA 0.188 4.828 4.640 -0.001 0.000 0.249 133 D C -0.180 176.234 176.300 0.190 0.000 1.144 133 D CA 0.073 54.102 54.000 0.048 0.000 0.880 133 D CB 1.127 41.978 40.800 0.085 0.000 1.182 133 D HN 0.586 nan 8.370 nan 0.000 0.451 134 A N 2.625 125.516 122.820 0.119 0.000 2.589 134 A HA 0.172 4.491 4.320 -0.001 0.000 0.283 134 A C 1.674 179.232 177.584 -0.044 0.000 1.187 134 A CA -0.359 51.698 52.037 0.034 0.000 0.957 134 A CB 0.068 19.187 19.000 0.197 0.000 1.175 134 A HN 0.489 nan 8.150 nan 0.000 0.532 135 S N 0.860 116.599 115.700 0.064 0.000 2.440 135 S HA -0.163 4.306 4.470 -0.001 0.000 0.238 135 S C 1.747 176.429 174.600 0.137 0.000 1.010 135 S CA 1.620 59.863 58.200 0.073 0.000 0.972 135 S CB -0.481 62.765 63.200 0.076 0.000 0.774 135 S HN 0.933 nan 8.310 nan 0.000 0.501 136 H N -0.524 118.605 119.070 0.098 0.000 2.553 136 H HA 0.317 4.873 4.556 -0.001 0.000 0.265 136 H C 1.464 176.849 175.328 0.095 0.000 0.964 136 H CA 0.257 56.357 56.048 0.086 0.000 1.156 136 H CB -0.246 29.554 29.762 0.063 0.000 1.411 136 H HN 0.435 nan 8.280 nan 0.000 0.558 137 I N -0.869 119.554 120.570 -0.244 0.000 3.790 137 I HA 0.011 4.181 4.170 -0.001 0.000 0.305 137 I C 0.912 177.040 176.117 0.019 0.000 1.253 137 I CA -0.156 61.061 61.300 -0.139 0.000 1.355 137 I CB 0.261 38.118 38.000 -0.238 0.000 1.137 137 I HN 0.115 nan 8.210 nan 0.000 0.435 138 W N 3.873 125.101 121.300 -0.120 0.000 2.417 138 W HA 0.125 4.785 4.660 -0.000 0.000 0.332 138 W C 0.932 177.418 176.519 -0.055 0.000 1.413 138 W CA 1.610 58.911 57.345 -0.073 0.000 1.299 138 W CB 0.455 29.886 29.460 -0.050 0.000 1.304 138 W HN 0.397 nan 8.180 nan 0.000 0.565 139 G N 3.718 112.339 108.800 -0.298 0.000 2.231 139 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.206 139 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.206 139 G C 0.129 174.930 174.900 -0.165 0.000 0.996 139 G CA -0.322 44.645 45.100 -0.222 0.000 0.645 139 G HN 0.445 nan 8.290 nan 0.000 0.498 140 K N 1.039 121.352 120.400 -0.146 0.000 2.098 140 K HA 0.515 4.834 4.320 -0.001 0.000 0.261 140 K C 0.493 177.004 176.600 -0.147 0.000 0.987 140 K CA -0.563 55.655 56.287 -0.117 0.000 0.916 140 K CB 1.102 33.552 32.500 -0.083 0.000 1.039 140 K HN 0.172 nan 8.250 nan 0.000 0.455 141 K N 0.572 120.899 120.400 -0.121 0.000 2.230 141 K HA 0.001 4.321 4.320 -0.001 0.000 0.253 141 K C 1.340 177.856 176.600 -0.139 0.000 1.008 141 K CA -0.484 55.723 56.287 -0.134 0.000 0.910 141 K CB 0.549 32.982 32.500 -0.111 0.000 0.994 141 K HN 0.230 nan 8.250 nan 0.000 0.495 142 V N 1.304 121.121 119.914 -0.160 0.000 2.250 142 V HA -0.338 3.782 4.120 -0.001 0.000 0.250 142 V C 2.516 178.528 176.094 -0.137 0.000 1.060 142 V CA 2.537 64.741 62.300 -0.161 0.000 1.030 142 V CB -0.803 30.904 31.823 -0.194 0.000 0.643 142 V HN 1.035 nan 8.190 nan 0.000 0.445 143 S N 0.029 115.650 115.700 -0.132 0.000 2.370 143 S HA -0.295 4.175 4.470 -0.001 0.000 0.226 143 S C 1.789 176.354 174.600 -0.059 0.000 1.033 143 S CA 1.948 60.099 58.200 -0.082 0.000 1.011 143 S CB -0.611 62.562 63.200 -0.046 0.000 0.852 143 S HN 0.760 nan 8.310 nan 0.000 0.457 144 E N 0.862 121.024 120.200 -0.063 0.000 2.047 144 E HA -0.086 4.264 4.350 -0.001 0.000 0.191 144 E C 2.302 178.862 176.600 -0.068 0.000 0.987 144 E CA 1.564 57.933 56.400 -0.051 0.000 0.799 144 E CB -0.635 29.036 29.700 -0.049 0.000 0.752 144 E HN 0.594 nan 8.360 nan 0.000 0.449 145 T N 1.503 115.999 114.554 -0.096 0.000 2.684 145 T HA -0.190 4.160 4.350 -0.001 0.000 0.267 145 T C 1.694 176.317 174.700 -0.129 0.000 1.036 145 T CA 1.464 63.490 62.100 -0.125 0.000 1.148 145 T CB -0.223 68.559 68.868 -0.142 0.000 0.863 145 T HN 0.236 nan 8.240 nan 0.000 0.436 146 E N 0.868 121.008 120.200 -0.100 0.000 2.072 146 E HA -0.027 4.323 4.350 -0.001 0.000 0.191 146 E C 2.623 179.187 176.600 -0.059 0.000 0.985 146 E CA 0.893 57.247 56.400 -0.078 0.000 0.801 146 E CB -0.216 29.455 29.700 -0.048 0.000 0.750 146 E HN 0.486 nan 8.360 nan 0.000 0.452 147 A N 1.127 123.920 122.820 -0.045 0.000 1.877 147 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 147 A C 2.418 179.985 177.584 -0.029 0.000 1.186 147 A CA 1.985 54.007 52.037 -0.025 0.000 0.620 147 A CB -0.988 18.004 19.000 -0.014 0.000 0.822 147 A HN 0.174 nan 8.150 nan 0.000 0.443 148 T N 0.547 115.077 114.554 -0.039 0.000 2.652 148 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 148 T C 1.825 176.498 174.700 -0.045 0.000 1.039 148 T CA 1.700 63.786 62.100 -0.023 0.000 1.153 148 T CB -0.491 68.364 68.868 -0.022 0.000 0.863 148 T HN 0.416 nan 8.240 nan 0.000 0.428 149 I N 0.625 121.120 120.570 -0.125 0.000 2.163 149 I HA -0.204 3.966 4.170 -0.001 0.000 0.243 149 I C 2.840 178.899 176.117 -0.096 0.000 1.085 149 I CA 1.400 62.589 61.300 -0.185 0.000 1.347 149 I CB -0.381 37.410 38.000 -0.349 0.000 1.044 149 I HN 0.152 nan 8.210 nan 0.000 0.408 150 R N 0.802 121.266 120.500 -0.060 0.000 2.096 150 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 150 R C 2.265 178.556 176.300 -0.014 0.000 1.127 150 R CA 1.222 57.308 56.100 -0.023 0.000 0.968 150 R CB -0.223 30.075 30.300 -0.004 0.000 0.861 150 R HN 0.414 nan 8.270 nan 0.000 0.440 151 K N 0.458 120.851 120.400 -0.012 0.000 2.103 151 K HA -0.111 4.209 4.320 -0.001 0.000 0.204 151 K C 1.963 178.563 176.600 0.001 0.000 1.052 151 K CA 1.084 57.371 56.287 0.000 0.000 0.945 151 K CB 0.051 32.555 32.500 0.007 0.000 0.722 151 K HN 0.253 nan 8.250 nan 0.000 0.443 152 E N 0.530 120.731 120.200 0.001 0.000 2.047 152 E HA -0.145 4.205 4.350 -0.001 0.000 0.191 152 E C 1.873 178.459 176.600 -0.022 0.000 0.987 152 E CA 1.573 57.982 56.400 0.015 0.000 0.799 152 E CB 0.089 29.835 29.700 0.076 0.000 0.752 152 E HN 0.194 nan 8.360 nan 0.000 0.449 153 V N -2.182 117.684 119.914 -0.080 0.000 3.623 153 V HA 0.281 4.401 4.120 -0.001 0.000 0.271 153 V C 1.107 177.178 176.094 -0.038 0.000 1.248 153 V CA 0.451 62.660 62.300 -0.150 0.000 1.156 153 V CB -0.561 31.010 31.823 -0.419 0.000 0.870 153 V HN 0.282 nan 8.190 nan 0.000 0.453 154 G N 0.397 109.189 108.800 -0.013 0.000 2.350 154 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.298 154 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.298 154 G C 0.032 174.950 174.900 0.030 0.000 1.037 154 G CA 0.769 45.877 45.100 0.012 0.000 1.074 154 G HN 1.471 nan 8.290 nan 0.000 0.511 155 S N -1.139 114.580 115.700 0.032 0.000 2.592 155 S HA 0.526 4.995 4.470 -0.001 0.000 0.275 155 S C 0.471 175.101 174.600 0.050 0.000 1.169 155 S CA -0.239 57.993 58.200 0.054 0.000 0.958 155 S CB 1.581 64.837 63.200 0.093 0.000 1.095 155 S HN 0.197 nan 8.310 nan 0.000 0.471 156 E N 2.323 122.551 120.200 0.046 0.000 2.447 156 E HA 0.041 4.391 4.350 -0.001 0.000 0.195 156 E C 1.115 177.746 176.600 0.052 0.000 1.028 156 E CA 0.315 56.740 56.400 0.041 0.000 0.876 156 E CB 0.266 29.984 29.700 0.030 0.000 0.885 156 E HN 0.660 nan 8.360 nan 0.000 0.500 157 K N 0.372 120.811 120.400 0.066 0.000 2.366 157 K HA 0.035 4.355 4.320 -0.001 0.000 0.198 157 K C 1.131 177.794 176.600 0.105 0.000 1.044 157 K CA 0.035 56.368 56.287 0.078 0.000 0.973 157 K CB -0.794 31.754 32.500 0.080 0.000 0.767 157 K HN -0.076 nan 8.250 nan 0.000 0.475 158 V N 3.585 123.570 119.914 0.118 0.000 2.529 158 V HA 0.005 4.125 4.120 -0.001 0.000 0.292 158 V C -0.241 175.939 176.094 0.144 0.000 1.028 158 V CA -0.063 62.328 62.300 0.152 0.000 1.074 158 V CB 0.199 32.130 31.823 0.180 0.000 0.958 158 V HN 0.125 nan 8.190 nan 0.000 0.481 159 K N 7.474 127.976 120.400 0.169 0.000 2.172 159 K HA 0.588 4.907 4.320 -0.001 0.000 0.276 159 K C -0.594 176.204 176.600 0.330 0.000 1.013 159 K CA -0.176 56.250 56.287 0.233 0.000 0.913 159 K CB 1.687 34.330 32.500 0.239 0.000 1.055 159 K HN 0.634 nan 8.250 nan 0.000 0.461 160 I N 0.888 121.618 120.570 0.268 0.000 2.608 160 I HA 0.461 4.631 4.170 -0.001 0.000 0.295 160 I C -0.511 175.577 176.117 -0.048 0.000 1.049 160 I CA -1.193 60.203 61.300 0.159 0.000 1.063 160 I CB 2.241 40.264 38.000 0.037 0.000 1.248 160 I HN 0.488 nan 8.210 nan 0.000 0.424 161 A N 4.175 126.839 122.820 -0.260 0.000 2.311 161 A HA 0.835 5.155 4.320 -0.001 0.000 0.306 161 A C -0.362 177.087 177.584 -0.225 0.000 1.189 161 A CA -0.373 51.378 52.037 -0.478 0.000 0.791 161 A CB 1.064 19.423 19.000 -1.069 0.000 1.172 161 A HN 0.764 nan 8.150 nan 0.000 0.481 162 S N 1.756 117.356 115.700 -0.167 0.000 2.685 162 S HA 0.853 5.322 4.470 -0.001 0.000 0.282 162 S C -0.434 174.094 174.600 -0.121 0.000 1.159 162 S CA -0.615 57.512 58.200 -0.123 0.000 0.833 162 S CB 0.965 64.090 63.200 -0.125 0.000 1.151 162 S HN 1.373 nan 8.310 nan 0.000 0.485 163 I N -1.155 119.340 120.570 -0.125 0.000 2.603 163 I HA 0.912 5.081 4.170 -0.001 0.000 0.300 163 I C 0.391 176.385 176.117 -0.205 0.000 1.017 163 I CA -1.044 60.166 61.300 -0.150 0.000 1.098 163 I CB 1.457 39.369 38.000 -0.147 0.000 1.279 163 I HN 0.829 nan 8.210 nan 0.000 0.437 164 G N 3.053 111.729 108.800 -0.207 0.000 2.568 164 G HA2 0.492 4.452 3.960 -0.001 0.000 0.293 164 G HA3 0.492 4.452 3.960 -0.001 0.000 0.293 164 G C -2.152 172.572 174.900 -0.294 0.000 1.347 164 G CA -1.541 43.421 45.100 -0.230 0.000 1.039 164 G HN 0.486 nan 8.290 nan 0.000 0.523 165 P HA -0.122 nan 4.420 nan 0.000 0.218 165 P C 1.936 179.080 177.300 -0.260 0.000 1.146 165 P CA 2.052 64.970 63.100 -0.303 0.000 0.813 165 P CB 0.175 31.745 31.700 -0.215 0.000 0.778 166 A N -0.344 122.348 122.820 -0.214 0.000 1.898 166 A HA -0.066 4.254 4.320 -0.001 0.000 0.216 166 A C 2.480 179.939 177.584 -0.207 0.000 1.181 166 A CA 2.006 53.922 52.037 -0.202 0.000 0.620 166 A CB -1.802 17.086 19.000 -0.187 0.000 0.819 166 A HN 0.280 nan 8.150 nan 0.000 0.442 167 G N -0.360 108.315 108.800 -0.208 0.000 2.402 167 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.216 167 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.216 167 G C 1.383 176.172 174.900 -0.184 0.000 1.162 167 G CA 0.946 45.941 45.100 -0.175 0.000 0.777 167 G HN 0.659 nan 8.290 nan 0.000 0.539 168 E N 0.745 120.743 120.200 -0.336 0.000 2.118 168 E HA -0.095 4.255 4.350 -0.001 0.000 0.195 168 E C 1.634 178.170 176.600 -0.105 0.000 0.992 168 E CA 0.831 56.985 56.400 -0.409 0.000 0.804 168 E CB -0.038 29.073 29.700 -0.980 0.000 0.741 168 E HN 0.296 nan 8.360 nan 0.000 0.458 169 N N 0.434 119.051 118.700 -0.139 0.000 2.383 169 N HA 0.016 4.756 4.740 -0.001 0.000 0.192 169 N C -0.247 175.221 175.510 -0.070 0.000 1.141 169 N CA 0.230 53.234 53.050 -0.075 0.000 0.851 169 N CB 0.550 38.978 38.487 -0.099 0.000 0.976 169 N HN 0.008 nan 8.380 nan 0.000 0.465 170 L N -0.319 120.859 121.223 -0.074 0.000 3.717 170 L HA -0.186 4.154 4.340 -0.001 0.000 0.414 170 L C -0.430 176.368 176.870 -0.120 0.000 1.228 170 L CA 0.249 55.047 54.840 -0.070 0.000 0.918 170 L CB -2.510 39.532 42.059 -0.029 0.000 1.865 170 L HN -0.114 nan 8.230 nan 0.000 0.922 171 V N 0.778 120.575 119.914 -0.194 0.000 2.540 171 V HA -0.043 4.076 4.120 -0.001 0.000 0.297 171 V C 2.051 177.956 176.094 -0.316 0.000 1.024 171 V CA -0.126 61.976 62.300 -0.330 0.000 1.105 171 V CB 0.887 32.418 31.823 -0.486 0.000 0.938 171 V HN 0.394 nan 8.190 nan 0.000 0.482 172 K N 4.409 124.663 120.400 -0.243 0.000 2.286 172 K HA -0.165 4.154 4.320 -0.001 0.000 0.203 172 K C 0.903 177.531 176.600 0.046 0.000 1.045 172 K CA 1.548 57.804 56.287 -0.052 0.000 0.935 172 K CB -0.206 32.339 32.500 0.076 0.000 0.737 172 K HN 0.860 nan 8.250 nan 0.000 0.460 173 F N -0.967 118.985 119.950 0.003 0.000 2.855 173 F HA 0.517 5.043 4.527 -0.000 0.000 0.317 173 F C 0.218 176.016 175.800 -0.003 0.000 1.169 173 F CA -1.422 56.583 58.000 0.007 0.000 1.299 173 F CB -0.277 38.735 39.000 0.021 0.000 0.962 173 F HN -0.262 nan 8.300 nan 0.000 0.506 174 A N 1.327 124.085 122.820 -0.103 0.000 2.462 174 A HA 0.717 5.036 4.320 -0.001 0.000 0.243 174 A C 0.369 177.943 177.584 -0.015 0.000 1.076 174 A CA 0.214 52.194 52.037 -0.095 0.000 0.773 174 A CB -0.056 18.862 19.000 -0.136 0.000 1.010 174 A HN 0.720 nan 8.150 nan 0.000 0.493 175 A N 1.814 124.626 122.820 -0.013 0.000 2.288 175 A HA 0.778 5.098 4.320 -0.001 0.000 0.328 175 A C -0.329 177.233 177.584 -0.037 0.000 1.123 175 A CA -0.627 51.407 52.037 -0.004 0.000 0.861 175 A CB 0.643 19.652 19.000 0.015 0.000 1.272 175 A HN 0.760 nan 8.150 nan 0.000 0.490 176 I N 1.604 122.154 120.570 -0.034 0.000 2.362 176 I HA 0.284 4.453 4.170 -0.001 0.000 0.289 176 I C -0.567 175.517 176.117 -0.056 0.000 0.994 176 I CA -0.256 61.013 61.300 -0.052 0.000 1.158 176 I CB 1.465 39.443 38.000 -0.036 0.000 1.315 176 I HN 0.507 nan 8.210 nan 0.000 0.451 177 M N 5.412 124.964 119.600 -0.081 0.000 2.537 177 M HA 0.444 4.924 4.480 -0.001 0.000 0.324 177 M C -0.723 175.518 176.300 -0.097 0.000 1.187 177 M CA -0.680 54.574 55.300 -0.077 0.000 0.993 177 M CB 1.438 33.975 32.600 -0.104 0.000 1.666 177 M HN 0.609 nan 8.290 nan 0.000 0.461 178 N N -1.220 117.450 118.700 -0.051 0.000 2.331 178 N HA 0.380 5.119 4.740 -0.001 0.000 0.280 178 N C -1.284 174.261 175.510 0.058 0.000 1.155 178 N CA -0.623 52.401 53.050 -0.042 0.000 0.822 178 N CB 1.585 40.017 38.487 -0.091 0.000 1.619 178 N HN 0.624 nan 8.380 nan 0.000 0.476 179 D N 0.502 120.957 120.400 0.093 0.000 2.837 179 D HA -0.201 4.439 4.640 -0.001 0.000 0.230 179 D C 1.119 177.481 176.300 0.104 0.000 1.152 179 D CA 1.859 55.950 54.000 0.151 0.000 0.736 179 D CB -1.412 39.550 40.800 0.270 0.000 1.084 179 D HN 1.199 nan 8.370 nan 0.000 0.429 180 G N 0.189 108.980 108.800 -0.017 0.000 2.990 180 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.225 180 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.225 180 G C 0.570 175.181 174.900 -0.481 0.000 1.304 180 G CA 0.574 45.558 45.100 -0.193 0.000 0.816 180 G HN 0.565 nan 8.290 nan 0.000 0.528 181 H N 0.218 119.320 119.070 0.052 0.000 3.052 181 H HA 0.240 4.796 4.556 -0.000 0.000 0.257 181 H C 0.549 175.910 175.328 0.056 0.000 1.193 181 H CA -0.330 55.746 56.048 0.047 0.000 1.072 181 H CB 0.723 30.526 29.762 0.069 0.000 1.685 181 H HN 0.233 nan 8.280 nan 0.000 0.630 182 R N 1.550 122.128 120.500 0.130 0.000 2.297 182 R HA 0.638 4.978 4.340 -0.001 0.000 0.308 182 R C -0.187 176.142 176.300 0.049 0.000 1.029 182 R CA -0.345 55.816 56.100 0.102 0.000 0.929 182 R CB 1.667 32.041 30.300 0.122 0.000 1.046 182 R HN 0.179 nan 8.270 nan 0.000 0.461 183 A N 1.481 124.318 122.820 0.029 0.000 2.356 183 A HA 0.667 4.987 4.320 -0.001 0.000 0.310 183 A C -0.599 176.959 177.584 -0.042 0.000 1.075 183 A CA -0.677 51.360 52.037 0.000 0.000 0.746 183 A CB 1.700 20.715 19.000 0.024 0.000 1.221 183 A HN 0.679 nan 8.150 nan 0.000 0.443 184 A N 1.883 124.665 122.820 -0.064 0.000 2.774 184 A HA 0.538 4.857 4.320 -0.001 0.000 0.326 184 A C 1.116 178.680 177.584 -0.033 0.000 1.478 184 A CA 0.188 52.165 52.037 -0.101 0.000 1.099 184 A CB -0.589 18.343 19.000 -0.113 0.000 1.148 184 A HN 1.474 nan 8.150 nan 0.000 0.519 185 G N 1.412 110.209 108.800 -0.005 0.000 2.492 185 G HA2 0.073 4.032 3.960 -0.001 0.000 0.214 185 G HA3 0.073 4.032 3.960 -0.001 0.000 0.214 185 G C 0.859 175.797 174.900 0.063 0.000 1.147 185 G CA -0.110 45.012 45.100 0.036 0.000 0.809 185 G HN 0.632 nan 8.290 nan 0.000 0.533 186 R N -0.967 119.569 120.500 0.059 0.000 2.643 186 R HA 0.531 4.871 4.340 -0.001 0.000 0.272 186 R C 0.856 177.195 176.300 0.065 0.000 0.995 186 R CA -0.049 56.099 56.100 0.080 0.000 1.032 186 R CB 1.349 31.705 30.300 0.093 0.000 1.126 186 R HN 0.245 nan 8.270 nan 0.000 0.505 187 G N -0.433 108.417 108.800 0.084 0.000 2.194 187 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.236 187 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.236 187 G C 0.711 175.649 174.900 0.063 0.000 0.987 187 G CA 0.202 45.343 45.100 0.068 0.000 0.635 187 G HN 1.260 nan 8.290 nan 0.000 0.520 188 G N -1.388 107.457 108.800 0.075 0.000 2.142 188 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.225 188 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.225 188 G C 1.742 176.652 174.900 0.015 0.000 1.015 188 G CA 1.652 46.782 45.100 0.049 0.000 0.716 188 G HN 2.125 nan 8.290 nan 0.000 0.508 189 V N -1.952 117.970 119.914 0.013 0.000 2.568 189 V HA 0.064 4.184 4.120 -0.001 0.000 0.253 189 V C 2.668 178.757 176.094 -0.009 0.000 1.072 189 V CA 2.601 64.900 62.300 -0.001 0.000 1.084 189 V CB -1.072 30.748 31.823 -0.005 0.000 0.676 189 V HN 0.999 nan 8.190 nan 0.000 0.469 190 G N -0.215 108.574 108.800 -0.017 0.000 2.421 190 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.217 190 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.217 190 G C 1.681 176.557 174.900 -0.040 0.000 1.143 190 G CA 0.933 46.010 45.100 -0.038 0.000 0.784 190 G HN 0.835 nan 8.290 nan 0.000 0.541 191 A N 0.272 123.069 122.820 -0.038 0.000 1.930 191 A HA 0.136 4.456 4.320 -0.001 0.000 0.217 191 A C 2.569 180.149 177.584 -0.006 0.000 1.175 191 A CA 1.608 53.624 52.037 -0.034 0.000 0.627 191 A CB -0.486 18.489 19.000 -0.042 0.000 0.815 191 A HN 0.221 nan 8.150 nan 0.000 0.443 192 V N -0.295 119.617 119.914 -0.003 0.000 2.295 192 V HA -0.323 3.797 4.120 -0.001 0.000 0.246 192 V C 2.581 178.686 176.094 0.019 0.000 1.049 192 V CA 2.355 64.658 62.300 0.006 0.000 1.024 192 V CB -0.717 31.106 31.823 0.000 0.000 0.648 192 V HN 0.696 nan 8.190 nan 0.000 0.447 193 M N 0.585 120.195 119.600 0.018 0.000 2.117 193 M HA -0.103 4.377 4.480 -0.001 0.000 0.262 193 M C 2.039 178.386 176.300 0.079 0.000 1.065 193 M CA 2.249 57.571 55.300 0.036 0.000 1.114 193 M CB -0.581 32.030 32.600 0.020 0.000 1.361 193 M HN 0.401 nan 8.290 nan 0.000 0.408 194 G N -0.796 108.046 108.800 0.071 0.000 2.432 194 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.219 194 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.219 194 G C 1.485 176.496 174.900 0.186 0.000 1.135 194 G CA 1.054 46.247 45.100 0.154 0.000 0.767 194 G HN 0.627 nan 8.290 nan 0.000 0.550 195 S N 0.227 115.983 115.700 0.092 0.000 2.447 195 S HA 0.037 4.507 4.470 -0.001 0.000 0.233 195 S C 1.877 176.508 174.600 0.052 0.000 1.006 195 S CA 1.050 59.289 58.200 0.065 0.000 0.957 195 S CB -0.087 63.132 63.200 0.031 0.000 0.773 195 S HN 0.420 nan 8.310 nan 0.000 0.507 196 K N 0.804 121.239 120.400 0.058 0.000 2.404 196 K HA 0.218 4.537 4.320 -0.001 0.000 0.194 196 K C -0.093 176.522 176.600 0.026 0.000 1.023 196 K CA 0.037 56.343 56.287 0.032 0.000 1.094 196 K CB -0.040 32.479 32.500 0.031 0.000 0.841 196 K HN 0.194 nan 8.250 nan 0.000 0.523 197 N N 0.933 119.674 118.700 0.068 0.000 2.776 197 N HA -0.174 4.566 4.740 -0.001 0.000 0.250 197 N C -1.082 174.476 175.510 0.081 0.000 1.112 197 N CA 0.458 53.495 53.050 -0.021 0.000 0.733 197 N CB -1.110 37.248 38.487 -0.216 0.000 1.097 197 N HN 0.107 nan 8.380 nan 0.000 0.558 198 L N 0.857 122.187 121.223 0.177 0.000 2.270 198 L HA 0.305 4.645 4.340 -0.001 0.000 0.286 198 L C 1.225 178.239 176.870 0.239 0.000 1.059 198 L CA -0.034 54.906 54.840 0.166 0.000 0.839 198 L CB 1.199 43.318 42.059 0.100 0.000 1.221 198 L HN -0.036 nan 8.230 nan 0.000 0.431 199 K N 4.152 124.734 120.400 0.303 0.000 2.103 199 K HA 0.406 4.725 4.320 -0.001 0.000 0.204 199 K C 0.121 176.771 176.600 0.083 0.000 1.052 199 K CA 1.205 57.637 56.287 0.242 0.000 0.945 199 K CB 0.260 32.952 32.500 0.320 0.000 0.722 199 K HN 0.695 nan 8.250 nan 0.000 0.443 200 A N -0.724 122.163 122.820 0.112 0.000 2.586 200 A HA 0.625 4.945 4.320 -0.001 0.000 0.290 200 A C -1.616 176.047 177.584 0.132 0.000 1.086 200 A CA -0.812 51.253 52.037 0.047 0.000 0.665 200 A CB 0.893 19.854 19.000 -0.066 0.000 1.279 200 A HN 0.059 nan 8.150 nan 0.000 0.423 201 I N 0.407 121.040 120.570 0.105 0.000 2.512 201 I HA 0.588 4.757 4.170 -0.001 0.000 0.287 201 I C 0.042 176.320 176.117 0.268 0.000 1.069 201 I CA -0.497 60.924 61.300 0.201 0.000 1.056 201 I CB 1.997 40.107 38.000 0.185 0.000 1.229 201 I HN 0.857 nan 8.210 nan 0.000 0.429 202 A N 6.663 129.678 122.820 0.325 0.000 2.318 202 A HA 0.878 5.198 4.320 -0.001 0.000 0.317 202 A C -0.846 176.933 177.584 0.324 0.000 1.159 202 A CA -0.491 51.745 52.037 0.332 0.000 0.799 202 A CB 1.340 20.524 19.000 0.308 0.000 1.194 202 A HN 0.418 nan 8.150 nan 0.000 0.479 203 V N 1.698 121.743 119.914 0.219 0.000 2.769 203 V HA 0.627 4.747 4.120 -0.001 0.000 0.312 203 V C -0.211 175.935 176.094 0.087 0.000 1.061 203 V CA -0.609 61.730 62.300 0.064 0.000 0.931 203 V CB 1.929 33.654 31.823 -0.164 0.000 1.010 203 V HN 0.956 nan 8.190 nan 0.000 0.433 204 E N 0.932 121.168 120.200 0.060 0.000 2.278 204 E HA 0.642 4.992 4.350 -0.001 0.000 0.272 204 E C -0.558 176.080 176.600 0.064 0.000 0.890 204 E CA -0.383 56.072 56.400 0.093 0.000 0.770 204 E CB 2.424 32.208 29.700 0.139 0.000 1.212 204 E HN 0.954 nan 8.360 nan 0.000 0.415 205 G N -0.041 108.825 108.800 0.110 0.000 2.605 205 G HA2 0.456 4.416 3.960 -0.001 0.000 0.296 205 G HA3 0.456 4.416 3.960 -0.001 0.000 0.296 205 G C 0.069 175.035 174.900 0.110 0.000 1.304 205 G CA -0.512 44.661 45.100 0.121 0.000 0.941 205 G HN 0.440 nan 8.290 nan 0.000 0.475 206 S N -1.201 114.532 115.700 0.054 0.000 2.817 206 S HA 0.273 4.743 4.470 -0.001 0.000 0.262 206 S C 0.414 175.001 174.600 -0.022 0.000 1.051 206 S CA -0.360 57.835 58.200 -0.009 0.000 1.185 206 S CB 0.234 63.428 63.200 -0.010 0.000 1.152 206 S HN 0.487 nan 8.310 nan 0.000 0.653 207 K N 1.664 122.091 120.400 0.044 0.000 2.107 207 K HA 0.526 4.845 4.320 -0.001 0.000 0.251 207 K C -0.667 176.050 176.600 0.195 0.000 1.012 207 K CA -0.200 56.158 56.287 0.118 0.000 0.920 207 K CB 0.529 33.095 32.500 0.110 0.000 1.033 207 K HN 0.003 nan 8.250 nan 0.000 0.478 208 T N 1.192 115.884 114.554 0.231 0.000 2.771 208 T HA 0.186 4.536 4.350 -0.001 0.000 0.281 208 T C -0.232 174.607 174.700 0.232 0.000 0.982 208 T CA -0.737 61.469 62.100 0.177 0.000 0.978 208 T CB 1.140 70.054 68.868 0.076 0.000 0.930 208 T HN 0.182 nan 8.240 nan 0.000 0.447 209 V N 7.470 127.480 119.914 0.160 0.000 2.540 209 V HA 0.147 4.267 4.120 -0.001 0.000 0.297 209 V C -1.546 174.374 176.094 -0.289 0.000 1.024 209 V CA -1.318 60.823 62.300 -0.266 0.000 1.105 209 V CB -0.125 31.590 31.823 -0.180 0.000 0.938 209 V HN 0.726 nan 8.190 nan 0.000 0.482 210 P HA 0.302 nan 4.420 nan 0.000 0.271 210 P C -0.835 176.397 177.300 -0.114 0.000 1.216 210 P CA -0.180 62.815 63.100 -0.175 0.000 0.771 210 P CB 1.093 32.693 31.700 -0.168 0.000 0.864 211 I N 2.323 122.839 120.570 -0.090 0.000 2.509 211 I HA 0.296 4.465 4.170 -0.001 0.000 0.293 211 I C 1.411 177.251 176.117 -0.460 0.000 1.020 211 I CA -0.626 60.502 61.300 -0.286 0.000 1.088 211 I CB 1.660 39.434 38.000 -0.375 0.000 1.267 211 I HN 0.402 nan 8.210 nan 0.000 0.430 212 A N 3.682 126.021 122.820 -0.802 0.000 1.851 212 A HA -0.135 4.185 4.320 -0.001 0.000 0.216 212 A C 0.888 178.108 177.584 -0.606 0.000 1.195 212 A CA 1.801 53.091 52.037 -1.246 0.000 0.622 212 A CB -0.208 18.276 19.000 -0.860 0.000 0.831 212 A HN 0.688 nan 8.150 nan 0.000 0.444 213 D N -1.539 118.654 120.400 -0.345 0.000 2.375 213 D HA 0.260 4.899 4.640 -0.001 0.000 0.259 213 D C 0.638 176.912 176.300 -0.043 0.000 1.235 213 D CA -0.426 53.477 54.000 -0.162 0.000 0.924 213 D CB 0.615 41.354 40.800 -0.102 0.000 1.143 213 D HN -0.020 nan 8.370 nan 0.000 0.529 214 K N 1.685 122.067 120.400 -0.030 0.000 2.020 214 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 214 K C 1.561 178.215 176.600 0.090 0.000 1.050 214 K CA 1.414 57.741 56.287 0.066 0.000 0.929 214 K CB 0.054 32.575 32.500 0.035 0.000 0.714 214 K HN 0.414 nan 8.250 nan 0.000 0.443 215 Q N 0.840 120.663 119.800 0.038 0.000 2.030 215 Q HA -0.201 4.139 4.340 -0.001 0.000 0.204 215 Q C 2.029 178.047 176.000 0.031 0.000 0.986 215 Q CA 2.218 58.036 55.803 0.026 0.000 0.843 215 Q CB -0.180 28.564 28.738 0.009 0.000 0.904 215 Q HN 0.110 nan 8.270 nan 0.000 0.420 216 K N -0.459 119.964 120.400 0.039 0.000 2.057 216 K HA -0.156 4.164 4.320 -0.001 0.000 0.207 216 K C 1.706 178.356 176.600 0.083 0.000 1.049 216 K CA 1.323 57.636 56.287 0.044 0.000 0.931 216 K CB -0.682 31.839 32.500 0.036 0.000 0.714 216 K HN 0.226 nan 8.250 nan 0.000 0.440 217 F N 0.741 120.658 119.950 -0.055 0.000 2.102 217 F HA -0.148 4.379 4.527 0.000 0.000 0.298 217 F C 1.744 177.521 175.800 -0.037 0.000 1.105 217 F CA 1.528 59.495 58.000 -0.054 0.000 1.239 217 F CB -0.237 38.723 39.000 -0.068 0.000 0.991 217 F HN 0.012 nan 8.300 nan 0.000 0.474 218 M N -0.688 118.858 119.600 -0.091 0.000 2.296 218 M HA -0.123 4.357 4.480 -0.001 0.000 0.265 218 M C 2.201 178.404 176.300 -0.162 0.000 1.064 218 M CA 1.021 56.211 55.300 -0.183 0.000 1.109 218 M CB -1.547 31.020 32.600 -0.056 0.000 1.396 218 M HN 0.261 nan 8.290 nan 0.000 0.430 219 L N -0.159 121.006 121.223 -0.097 0.000 2.005 219 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 219 L C 2.466 179.275 176.870 -0.102 0.000 1.072 219 L CA 1.364 56.160 54.840 -0.073 0.000 0.744 219 L CB -0.711 41.327 42.059 -0.035 0.000 0.895 219 L HN 0.013 nan 8.230 nan 0.000 0.433 220 V N -1.316 118.529 119.914 -0.114 0.000 2.287 220 V HA -0.313 3.806 4.120 -0.001 0.000 0.248 220 V C 2.462 178.441 176.094 -0.190 0.000 1.053 220 V CA 1.707 63.935 62.300 -0.121 0.000 1.027 220 V CB -0.574 31.201 31.823 -0.079 0.000 0.646 220 V HN 0.298 nan 8.190 nan 0.000 0.447 221 V N -0.257 119.455 119.914 -0.337 0.000 2.282 221 V HA -0.330 3.790 4.120 -0.001 0.000 0.249 221 V C 2.607 178.583 176.094 -0.195 0.000 1.057 221 V CA 2.502 64.593 62.300 -0.349 0.000 1.032 221 V CB -0.749 30.761 31.823 -0.522 0.000 0.645 221 V HN 0.424 nan 8.190 nan 0.000 0.447 222 R N -0.234 120.171 120.500 -0.158 0.000 2.148 222 R HA -0.128 4.211 4.340 -0.001 0.000 0.227 222 R C 2.306 178.559 176.300 -0.077 0.000 1.103 222 R CA 1.486 57.525 56.100 -0.100 0.000 0.983 222 R CB -0.335 29.917 30.300 -0.080 0.000 0.874 222 R HN 0.693 nan 8.270 nan 0.000 0.451 223 E N -0.044 120.107 120.200 -0.081 0.000 2.072 223 E HA -0.178 4.172 4.350 -0.001 0.000 0.190 223 E C 1.063 177.626 176.600 -0.062 0.000 0.982 223 E CA 0.940 57.303 56.400 -0.062 0.000 0.803 223 E CB 0.207 29.872 29.700 -0.059 0.000 0.755 223 E HN 0.065 nan 8.360 nan 0.000 0.453 224 K N 0.443 120.794 120.400 -0.081 0.000 2.057 224 K HA -0.063 4.257 4.320 -0.001 0.000 0.206 224 K C 2.250 178.819 176.600 -0.053 0.000 1.050 224 K CA 0.727 56.967 56.287 -0.077 0.000 0.935 224 K CB -0.809 31.632 32.500 -0.097 0.000 0.715 224 K HN 0.096 nan 8.250 nan 0.000 0.439 225 V N 2.922 122.801 119.914 -0.057 0.000 2.392 225 V HA -0.255 3.865 4.120 -0.001 0.000 0.249 225 V C 2.388 178.468 176.094 -0.023 0.000 1.059 225 V CA 1.830 64.107 62.300 -0.037 0.000 1.051 225 V CB -0.605 31.189 31.823 -0.048 0.000 0.658 225 V HN 0.471 nan 8.190 nan 0.000 0.455 226 N N 0.091 118.774 118.700 -0.028 0.000 2.166 226 N HA -0.196 4.543 4.740 -0.001 0.000 0.186 226 N C 1.927 177.434 175.510 -0.005 0.000 1.019 226 N CA 1.332 54.372 53.050 -0.017 0.000 0.856 226 N CB 0.012 38.487 38.487 -0.021 0.000 0.993 226 N HN 0.512 nan 8.380 nan 0.000 0.426 227 K N 0.587 120.983 120.400 -0.008 0.000 2.025 227 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 227 K C 2.258 178.877 176.600 0.031 0.000 1.049 227 K CA 0.851 57.143 56.287 0.007 0.000 0.933 227 K CB -0.112 32.383 32.500 -0.008 0.000 0.714 227 K HN 0.210 nan 8.250 nan 0.000 0.438 228 L N 0.279 121.519 121.223 0.028 0.000 2.046 228 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 228 L C 2.540 179.437 176.870 0.045 0.000 1.077 228 L CA 1.106 55.978 54.840 0.053 0.000 0.747 228 L CB -0.315 41.773 42.059 0.049 0.000 0.896 228 L HN 0.060 nan 8.230 nan 0.000 0.432 229 R N 0.201 120.716 120.500 0.025 0.000 2.120 229 R HA -0.090 4.250 4.340 -0.001 0.000 0.234 229 R C 1.849 178.161 176.300 0.020 0.000 1.123 229 R CA 1.023 57.133 56.100 0.017 0.000 0.975 229 R CB -0.175 30.128 30.300 0.005 0.000 0.866 229 R HN 0.329 nan 8.270 nan 0.000 0.446 230 N N 0.242 118.958 118.700 0.026 0.000 2.412 230 N HA -0.066 4.673 4.740 -0.001 0.000 0.184 230 N C -0.514 175.026 175.510 0.049 0.000 1.101 230 N CA 0.372 53.440 53.050 0.030 0.000 0.881 230 N CB 0.031 38.532 38.487 0.025 0.000 0.969 230 N HN 0.249 nan 8.380 nan 0.000 0.459 231 D N 0.963 121.404 120.400 0.068 0.000 2.304 231 D HA 0.101 4.741 4.640 -0.001 0.000 0.250 231 D C -1.263 175.082 176.300 0.075 0.000 1.107 231 D CA -1.823 52.242 54.000 0.108 0.000 0.885 231 D CB 1.814 42.710 40.800 0.161 0.000 1.192 231 D HN -0.032 nan 8.370 nan 0.000 0.436 232 P HA -0.161 nan 4.420 nan 0.000 0.217 232 P C 1.215 178.507 177.300 -0.014 0.000 1.150 232 P CA 0.689 63.815 63.100 0.043 0.000 0.832 232 P CB 0.293 32.032 31.700 0.065 0.000 0.787 233 V N 1.222 121.103 119.914 -0.056 0.000 2.256 233 V HA -0.098 4.021 4.120 -0.001 0.000 0.240 233 V C 2.893 178.861 176.094 -0.210 0.000 1.036 233 V CA 2.217 64.356 62.300 -0.269 0.000 1.008 233 V CB -1.803 29.594 31.823 -0.710 0.000 0.648 233 V HN 0.060 nan 8.190 nan 0.000 0.453 234 A N 0.205 122.965 122.820 -0.101 0.000 2.070 234 A HA -0.019 4.301 4.320 -0.001 0.000 0.220 234 A C 2.128 179.712 177.584 0.001 0.000 1.159 234 A CA 1.882 53.919 52.037 -0.000 0.000 0.656 234 A CB -0.754 18.311 19.000 0.108 0.000 0.800 234 A HN 0.607 nan 8.150 nan 0.000 0.453 235 G N -2.554 106.243 108.800 -0.004 0.000 2.939 235 G HA2 0.392 4.352 3.960 -0.001 0.000 0.216 235 G HA3 0.392 4.352 3.960 -0.001 0.000 0.216 235 G C 0.934 175.820 174.900 -0.024 0.000 1.125 235 G CA 1.079 46.176 45.100 -0.005 0.000 0.766 235 G HN 0.688 nan 8.290 nan 0.000 0.541 236 G N 0.225 109.002 108.800 -0.038 0.000 2.619 236 G HA2 0.323 4.283 3.960 -0.001 0.000 0.201 236 G HA3 0.323 4.283 3.960 -0.001 0.000 0.201 236 G C 1.517 176.377 174.900 -0.067 0.000 1.188 236 G CA 1.084 46.157 45.100 -0.045 0.000 0.663 236 G HN 0.307 nan 8.290 nan 0.000 0.757 237 G N 1.315 110.084 108.800 -0.052 0.000 2.480 237 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.216 237 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.216 237 G C 1.816 176.685 174.900 -0.051 0.000 1.200 237 G CA 1.020 46.109 45.100 -0.019 0.000 0.782 237 G HN 0.334 nan 8.290 nan 0.000 0.554 238 L N 1.329 122.478 121.223 -0.124 0.000 2.017 238 L HA -0.045 4.295 4.340 -0.001 0.000 0.208 238 L C 0.283 177.119 176.870 -0.057 0.000 1.073 238 L CA 1.305 56.083 54.840 -0.104 0.000 0.745 238 L CB -1.173 40.804 42.059 -0.137 0.000 0.894 238 L HN 0.237 nan 8.230 nan 0.000 0.432 239 P HA -0.181 nan 4.420 nan 0.000 0.219 239 P C 1.338 178.564 177.300 -0.124 0.000 1.150 239 P CA 1.482 64.546 63.100 -0.059 0.000 0.814 239 P CB 0.079 31.750 31.700 -0.048 0.000 0.787 240 K N -0.918 119.342 120.400 -0.233 0.000 2.044 240 K HA -0.079 4.240 4.320 -0.001 0.000 0.204 240 K C 1.174 177.411 176.600 -0.606 0.000 1.049 240 K CA 1.253 57.243 56.287 -0.494 0.000 0.945 240 K CB -0.041 32.022 32.500 -0.728 0.000 0.724 240 K HN 0.068 nan 8.250 nan 0.000 0.440 241 Y N -0.496 119.787 120.300 -0.029 0.000 2.527 241 Y HA 0.336 4.883 4.550 -0.005 0.000 0.247 241 Y C 0.643 176.532 175.900 -0.017 0.000 1.138 241 Y CA -0.150 57.934 58.100 -0.027 0.000 1.228 241 Y CB 0.939 39.371 38.460 -0.047 0.000 1.252 241 Y HN 0.252 nan 8.280 nan 0.000 0.531 242 G N 0.848 109.695 108.800 0.079 0.000 2.752 242 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.234 242 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.234 242 G C 1.094 176.022 174.900 0.045 0.000 1.367 242 G CA 0.272 45.416 45.100 0.072 0.000 0.879 242 G HN 0.447 nan 8.290 nan 0.000 0.563 243 T N -2.173 112.421 114.554 0.068 0.000 2.929 243 T HA 0.178 4.527 4.350 -0.001 0.000 0.271 243 T C 2.505 177.246 174.700 0.067 0.000 1.085 243 T CA 2.165 64.286 62.100 0.035 0.000 1.125 243 T CB -0.319 68.657 68.868 0.180 0.000 0.874 243 T HN 2.099 nan 8.240 nan 0.000 0.494 244 A N 1.661 124.562 122.820 0.134 0.000 2.259 244 A HA 0.179 4.498 4.320 -0.001 0.000 0.212 244 A C 2.495 180.090 177.584 0.018 0.000 1.178 244 A CA 1.068 53.198 52.037 0.155 0.000 0.734 244 A CB -1.043 18.049 19.000 0.154 0.000 0.774 244 A HN 0.713 nan 8.150 nan 0.000 0.481 245 V N -2.433 117.458 119.914 -0.038 0.000 2.594 245 V HA -0.211 3.909 4.120 -0.001 0.000 0.253 245 V C 2.105 178.078 176.094 -0.202 0.000 1.069 245 V CA 1.684 63.914 62.300 -0.117 0.000 1.082 245 V CB -1.092 30.684 31.823 -0.079 0.000 0.680 245 V HN 0.493 nan 8.190 nan 0.000 0.469 246 L N -0.193 120.854 121.223 -0.294 0.000 2.191 246 L HA -0.105 4.235 4.340 -0.001 0.000 0.212 246 L C 2.650 179.269 176.870 -0.420 0.000 1.103 246 L CA 1.021 55.580 54.840 -0.468 0.000 0.769 246 L CB -0.697 40.817 42.059 -0.909 0.000 0.908 246 L HN 0.221 nan 8.230 nan 0.000 0.438 247 V N 0.750 120.514 119.914 -0.250 0.000 2.233 247 V HA -0.418 3.701 4.120 -0.001 0.000 0.252 247 V C 2.009 177.899 176.094 -0.339 0.000 1.063 247 V CA 2.706 64.864 62.300 -0.237 0.000 1.032 247 V CB -0.802 30.954 31.823 -0.111 0.000 0.645 247 V HN 0.585 nan 8.190 nan 0.000 0.446 248 N N -0.499 118.071 118.700 -0.217 0.000 2.244 248 N HA -0.070 4.670 4.740 -0.001 0.000 0.183 248 N C 1.750 177.186 175.510 -0.124 0.000 1.016 248 N CA 1.226 54.193 53.050 -0.138 0.000 0.866 248 N CB -0.167 38.277 38.487 -0.072 0.000 0.980 248 N HN 0.473 nan 8.380 nan 0.000 0.430 249 I N 0.775 121.256 120.570 -0.148 0.000 2.163 249 I HA -0.198 3.972 4.170 -0.001 0.000 0.240 249 I C 1.799 177.864 176.117 -0.087 0.000 1.081 249 I CA 0.792 62.025 61.300 -0.111 0.000 1.353 249 I CB -0.198 37.728 38.000 -0.124 0.000 1.054 249 I HN 0.120 nan 8.210 nan 0.000 0.407 250 I N 0.861 121.366 120.570 -0.108 0.000 2.286 250 I HA -0.293 3.877 4.170 -0.001 0.000 0.248 250 I C 2.328 178.457 176.117 0.021 0.000 1.115 250 I CA 1.522 62.815 61.300 -0.010 0.000 1.392 250 I CB -1.628 36.410 38.000 0.063 0.000 1.065 250 I HN 0.462 nan 8.210 nan 0.000 0.418 251 N N 1.054 119.707 118.700 -0.079 0.000 2.106 251 N HA -0.230 4.510 4.740 -0.001 0.000 0.188 251 N C 1.865 177.396 175.510 0.036 0.000 1.029 251 N CA 1.089 54.147 53.050 0.012 0.000 0.848 251 N CB 0.094 38.532 38.487 -0.081 0.000 1.007 251 N HN 0.407 nan 8.380 nan 0.000 0.423 252 E N 0.281 120.478 120.200 -0.005 0.000 2.204 252 E HA -0.099 4.251 4.350 -0.001 0.000 0.195 252 E C 0.975 177.583 176.600 0.015 0.000 0.990 252 E CA 0.701 57.103 56.400 0.004 0.000 0.821 252 E CB 0.047 29.738 29.700 -0.013 0.000 0.750 252 E HN 0.382 nan 8.360 nan 0.000 0.477 253 N N -0.274 118.435 118.700 0.015 0.000 2.398 253 N HA -0.016 4.723 4.740 -0.001 0.000 0.188 253 N C 0.658 176.197 175.510 0.048 0.000 1.122 253 N CA 0.821 53.882 53.050 0.018 0.000 0.866 253 N CB 0.868 39.351 38.487 -0.006 0.000 0.970 253 N HN 0.278 nan 8.380 nan 0.000 0.462 254 G N 1.568 110.414 108.800 0.075 0.000 2.198 254 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.257 254 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.257 254 G C 0.196 175.173 174.900 0.128 0.000 1.042 254 G CA 0.419 45.581 45.100 0.104 0.000 0.791 254 G HN 0.292 nan 8.290 nan 0.000 0.502 255 L N -2.878 118.431 121.223 0.144 0.000 3.366 255 L HA 0.497 4.837 4.340 -0.001 0.000 0.304 255 L C -0.031 176.944 176.870 0.176 0.000 1.292 255 L CA -2.012 52.923 54.840 0.157 0.000 1.012 255 L CB -1.339 40.799 42.059 0.133 0.000 1.414 255 L HN 0.150 nan 8.230 nan 0.000 0.603 256 Y N 4.067 124.386 120.300 0.031 0.000 2.556 256 Y HA 0.633 5.185 4.550 0.003 0.000 0.352 256 Y C -2.279 173.611 175.900 -0.017 0.000 1.006 256 Y CA -3.010 55.081 58.100 -0.014 0.000 1.277 256 Y CB 0.609 39.117 38.460 0.080 0.000 1.136 256 Y HN 0.122 nan 8.280 nan 0.000 0.523 257 P HA 0.018 nan 4.420 nan 0.000 0.263 257 P C -1.073 176.087 177.300 -0.233 0.000 1.195 257 P CA 0.415 63.328 63.100 -0.310 0.000 0.762 257 P CB 0.634 31.820 31.700 -0.857 0.000 0.799 258 V N 5.416 125.204 119.914 -0.209 0.000 2.540 258 V HA 0.289 4.408 4.120 -0.001 0.000 0.302 258 V C 0.219 176.130 176.094 -0.306 0.000 1.035 258 V CA -0.803 61.333 62.300 -0.273 0.000 0.873 258 V CB 1.424 33.161 31.823 -0.143 0.000 0.992 258 V HN 0.566 nan 8.190 nan 0.000 0.428 259 K N 3.898 124.043 120.400 -0.426 0.000 3.653 259 K HA -0.210 4.110 4.320 -0.001 0.000 0.275 259 K C 0.349 176.743 176.600 -0.344 0.000 0.962 259 K CA 0.711 56.560 56.287 -0.730 0.000 0.773 259 K CB -0.997 30.759 32.500 -1.240 0.000 1.463 259 K HN 0.883 nan 8.250 nan 0.000 0.450 260 N N 0.234 118.927 118.700 -0.010 0.000 2.738 260 N HA -0.221 4.519 4.740 -0.001 0.000 0.249 260 N C -0.543 175.207 175.510 0.400 0.000 1.047 260 N CA 1.484 54.694 53.050 0.266 0.000 0.707 260 N CB -1.284 37.424 38.487 0.368 0.000 0.937 260 N HN 0.528 nan 8.380 nan 0.000 0.545 261 F N -2.744 117.283 119.950 0.128 0.000 3.057 261 F HA -0.334 4.192 4.527 -0.001 0.000 0.287 261 F C 1.569 177.412 175.800 0.072 0.000 0.834 261 F CA 1.258 59.361 58.000 0.171 0.000 1.147 261 F CB -1.886 37.313 39.000 0.332 0.000 1.245 261 F HN 0.486 nan 8.300 nan 0.000 0.509 262 Q N -1.175 118.679 119.800 0.091 0.000 2.245 262 Q HA 0.061 4.401 4.340 -0.001 0.000 0.201 262 Q C 1.279 177.301 176.000 0.037 0.000 0.955 262 Q CA 1.510 57.329 55.803 0.026 0.000 0.870 262 Q CB 0.407 29.096 28.738 -0.082 0.000 0.945 262 Q HN 0.469 nan 8.270 nan 0.000 0.461 263 T N -2.810 111.764 114.554 0.033 0.000 2.762 263 T HA 0.525 4.874 4.350 -0.001 0.000 0.301 263 T C -0.692 174.054 174.700 0.077 0.000 1.299 263 T CA -0.270 61.864 62.100 0.058 0.000 1.005 263 T CB 1.748 70.631 68.868 0.025 0.000 1.377 263 T HN 0.040 nan 8.240 nan 0.000 0.504 264 G N 0.716 109.579 108.800 0.106 0.000 3.993 264 G HA2 0.528 4.487 3.960 -0.001 0.000 0.294 264 G HA3 0.528 4.487 3.960 -0.001 0.000 0.294 264 G C -0.785 174.213 174.900 0.162 0.000 1.043 264 G CA -0.083 45.095 45.100 0.130 0.000 0.839 264 G HN 0.690 nan 8.290 nan 0.000 0.516 265 V N 0.622 120.630 119.914 0.155 0.000 2.668 265 V HA 0.418 4.538 4.120 -0.001 0.000 0.304 265 V C -1.720 174.510 176.094 0.228 0.000 1.071 265 V CA -1.074 61.332 62.300 0.178 0.000 0.894 265 V CB 1.945 33.827 31.823 0.098 0.000 1.008 265 V HN 0.240 nan 8.190 nan 0.000 0.425 266 Y N 8.038 128.417 120.300 0.131 0.000 2.328 266 Y HA 0.570 5.119 4.550 -0.002 0.000 0.336 266 Y C -1.682 174.219 175.900 0.003 0.000 0.960 266 Y CA -2.392 55.764 58.100 0.093 0.000 1.134 266 Y CB 2.738 41.345 38.460 0.245 0.000 1.166 266 Y HN 0.475 nan 8.280 nan 0.000 0.464 267 P HA -0.151 nan 4.420 nan 0.000 0.222 267 P C -0.028 176.820 177.300 -0.753 0.000 1.147 267 P CA 1.548 64.258 63.100 -0.651 0.000 0.790 267 P CB 0.277 31.475 31.700 -0.836 0.000 0.780 268 Y N -0.824 119.075 120.300 -0.669 0.000 2.658 268 Y HA 0.495 5.044 4.550 -0.001 0.000 0.276 268 Y C 2.309 178.201 175.900 -0.014 0.000 1.167 268 Y CA -0.594 57.300 58.100 -0.345 0.000 1.230 268 Y CB -0.953 37.289 38.460 -0.362 0.000 1.144 268 Y HN -0.058 nan 8.280 nan 0.000 0.529 269 A N -0.342 122.604 122.820 0.210 0.000 1.940 269 A HA -0.295 4.025 4.320 -0.001 0.000 0.219 269 A C 1.921 179.627 177.584 0.203 0.000 1.176 269 A CA 1.717 53.974 52.037 0.366 0.000 0.631 269 A CB -1.011 18.125 19.000 0.226 0.000 0.814 269 A HN 0.599 nan 8.150 nan 0.000 0.446 270 Y N 0.949 121.295 120.300 0.077 0.000 2.207 270 Y HA -0.226 4.321 4.550 -0.005 0.000 0.287 270 Y C 2.175 178.119 175.900 0.072 0.000 1.156 270 Y CA 2.198 60.322 58.100 0.039 0.000 1.182 270 Y CB -0.212 38.255 38.460 0.012 0.000 0.979 270 Y HN 0.506 nan 8.280 nan 0.000 0.521 271 E N -0.369 119.951 120.200 0.200 0.000 2.265 271 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 271 E C 1.292 177.942 176.600 0.084 0.000 0.996 271 E CA 1.265 57.755 56.400 0.150 0.000 0.832 271 E CB -0.133 29.683 29.700 0.194 0.000 0.756 271 E HN 0.736 nan 8.360 nan 0.000 0.491 272 Q N 0.464 120.319 119.800 0.092 0.000 2.157 272 Q HA 0.156 4.495 4.340 -0.001 0.000 0.229 272 Q C 0.024 176.042 176.000 0.030 0.000 0.827 272 Q CA -0.281 55.583 55.803 0.100 0.000 1.055 272 Q CB 0.726 29.573 28.738 0.182 0.000 1.157 272 Q HN -0.016 nan 8.270 nan 0.000 0.482 273 S N -0.763 114.861 115.700 -0.127 0.000 2.632 273 S HA 0.463 4.932 4.470 -0.001 0.000 0.267 273 S C 1.300 175.804 174.600 -0.159 0.000 1.276 273 S CA -0.114 57.971 58.200 -0.192 0.000 0.998 273 S CB 1.286 64.243 63.200 -0.406 0.000 0.953 273 S HN 0.313 nan 8.310 nan 0.000 0.547 274 G N 0.533 109.262 108.800 -0.119 0.000 2.442 274 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.219 274 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.219 274 G C 1.060 175.930 174.900 -0.049 0.000 1.141 274 G CA 0.923 46.010 45.100 -0.021 0.000 0.763 274 G HN 0.795 nan 8.290 nan 0.000 0.554 275 E N 0.698 120.698 120.200 -0.334 0.000 2.077 275 E HA 0.069 4.419 4.350 -0.001 0.000 0.193 275 E C 2.815 179.316 176.600 -0.164 0.000 0.989 275 E CA 1.177 57.375 56.400 -0.336 0.000 0.800 275 E CB -0.351 29.069 29.700 -0.466 0.000 0.746 275 E HN 0.382 nan 8.360 nan 0.000 0.452 276 A N 0.749 123.362 122.820 -0.345 0.000 1.930 276 A HA -0.147 4.173 4.320 -0.001 0.000 0.217 276 A C 2.160 179.693 177.584 -0.086 0.000 1.175 276 A CA 1.454 53.358 52.037 -0.222 0.000 0.627 276 A CB -0.501 18.305 19.000 -0.324 0.000 0.815 276 A HN 0.281 nan 8.150 nan 0.000 0.443 277 M N -0.238 119.347 119.600 -0.025 0.000 2.086 277 M HA -0.161 4.319 4.480 -0.001 0.000 0.261 277 M C 2.263 178.601 176.300 0.063 0.000 1.067 277 M CA 1.785 57.132 55.300 0.079 0.000 1.116 277 M CB -0.262 32.410 32.600 0.121 0.000 1.348 277 M HN 0.419 nan 8.290 nan 0.000 0.407 278 A N -0.037 122.836 122.820 0.089 0.000 1.972 278 A HA -0.043 4.277 4.320 -0.001 0.000 0.219 278 A C 2.178 179.790 177.584 0.045 0.000 1.169 278 A CA 1.854 53.952 52.037 0.101 0.000 0.635 278 A CB -0.915 18.209 19.000 0.206 0.000 0.810 278 A HN 0.674 nan 8.150 nan 0.000 0.446 279 A N -1.006 121.823 122.820 0.015 0.000 2.021 279 A HA 0.081 4.401 4.320 -0.001 0.000 0.216 279 A C 2.056 179.573 177.584 -0.111 0.000 1.163 279 A CA 1.358 53.384 52.037 -0.018 0.000 0.676 279 A CB -0.094 18.912 19.000 0.010 0.000 0.818 279 A HN 0.498 nan 8.150 nan 0.000 0.453 280 K N -2.262 117.996 120.400 -0.237 0.000 2.214 280 K HA 0.138 4.458 4.320 -0.001 0.000 0.201 280 K C 0.671 176.895 176.600 -0.626 0.000 1.049 280 K CA 1.010 56.964 56.287 -0.555 0.000 0.978 280 K CB 0.138 32.050 32.500 -0.980 0.000 0.842 280 K HN 0.548 nan 8.250 nan 0.000 0.474 281 Y N -0.341 119.974 120.300 0.024 0.000 2.448 281 Y HA 0.241 4.791 4.550 -0.000 0.000 0.257 281 Y C 0.091 176.000 175.900 0.015 0.000 1.089 281 Y CA -1.069 57.041 58.100 0.016 0.000 1.245 281 Y CB 0.252 38.718 38.460 0.011 0.000 1.282 281 Y HN -0.108 nan 8.280 nan 0.000 0.529 282 L N 0.487 121.788 121.223 0.130 0.000 2.499 282 L HA 0.099 4.438 4.340 -0.001 0.000 0.273 282 L C 0.795 177.702 176.870 0.062 0.000 1.195 282 L CA 0.449 55.344 54.840 0.091 0.000 0.882 282 L CB 0.852 42.953 42.059 0.069 0.000 1.133 282 L HN 0.074 nan 8.230 nan 0.000 0.483 283 V N 4.799 124.746 119.914 0.054 0.000 2.581 283 V HA 0.238 4.357 4.120 -0.001 0.000 0.240 283 V C 0.738 176.850 176.094 0.030 0.000 1.054 283 V CA 1.272 63.596 62.300 0.040 0.000 1.076 283 V CB -0.402 31.444 31.823 0.037 0.000 0.748 283 V HN 1.008 nan 8.190 nan 0.000 0.474 284 R N 0.592 121.110 120.500 0.031 0.000 2.855 284 R HA 0.293 4.633 4.340 -0.001 0.000 0.274 284 R C -1.350 174.967 176.300 0.029 0.000 0.997 284 R CA -0.571 55.544 56.100 0.024 0.000 0.856 284 R CB 0.789 31.104 30.300 0.026 0.000 1.378 284 R HN 0.328 nan 8.270 nan 0.000 0.462 285 N N 0.009 118.724 118.700 0.026 0.000 2.477 285 N HA 0.455 5.195 4.740 -0.001 0.000 0.284 285 N C -1.313 174.231 175.510 0.056 0.000 1.182 285 N CA -1.033 52.038 53.050 0.036 0.000 0.949 285 N CB 2.041 40.539 38.487 0.019 0.000 1.204 285 N HN 0.655 nan 8.380 nan 0.000 0.526 286 K N 0.330 120.776 120.400 0.075 0.000 2.535 286 K HA 0.429 4.748 4.320 -0.001 0.000 0.250 286 K C -3.038 173.633 176.600 0.118 0.000 0.948 286 K CA -1.807 54.543 56.287 0.104 0.000 0.796 286 K CB 2.035 34.607 32.500 0.120 0.000 1.216 286 K HN 0.539 nan 8.250 nan 0.000 0.432 287 P HA 0.327 nan 4.420 nan 0.000 0.287 287 P C -0.389 176.973 177.300 0.105 0.000 1.270 287 P CA -0.603 62.562 63.100 0.108 0.000 0.844 287 P CB 1.212 32.965 31.700 0.089 0.000 1.068 288 C N 0.872 120.170 119.300 -0.004 0.000 2.480 288 C HA 0.222 4.682 4.460 -0.001 0.000 0.344 288 C C 0.787 175.581 174.990 -0.327 0.000 1.380 288 C CA -0.253 58.648 59.018 -0.196 0.000 2.386 288 C CB -0.832 26.840 27.740 -0.113 0.000 2.210 288 C HN 0.585 nan 8.230 nan 0.000 0.640 289 Y N 1.261 121.119 120.300 -0.737 0.000 2.805 289 Y HA 0.272 4.822 4.550 -0.000 0.000 0.331 289 Y C 1.012 176.867 175.900 -0.076 0.000 1.241 289 Y CA 1.086 58.944 58.100 -0.403 0.000 1.546 289 Y CB -0.115 38.169 38.460 -0.293 0.000 1.248 289 Y HN 0.991 nan 8.280 nan 0.000 0.559 290 A N 3.224 125.633 122.820 -0.686 0.000 2.832 290 A HA -0.292 4.028 4.320 -0.001 0.000 0.280 290 A C 0.314 177.801 177.584 -0.161 0.000 1.464 290 A CA 0.792 52.556 52.037 -0.454 0.000 0.804 290 A CB -2.166 16.544 19.000 -0.483 0.000 1.020 290 A HN 0.958 nan 8.150 nan 0.000 0.563 291 C N 0.935 120.176 119.300 -0.099 0.000 2.295 291 C HA 0.708 5.167 4.460 -0.001 0.000 0.331 291 C C -0.365 174.621 174.990 -0.006 0.000 1.280 291 C CA -0.849 58.153 59.018 -0.026 0.000 1.746 291 C CB 0.727 28.468 27.740 0.003 0.000 2.328 291 C HN 0.530 nan 8.230 nan 0.000 0.521 292 P HA 0.167 nan 4.420 nan 0.000 0.261 292 P C 0.924 178.239 177.300 0.025 0.000 1.268 292 P CA 0.582 63.687 63.100 0.008 0.000 0.833 292 P CB 0.237 31.937 31.700 0.001 0.000 1.231 293 I N -0.498 120.099 120.570 0.045 0.000 2.729 293 I HA 0.174 4.344 4.170 -0.001 0.000 0.256 293 I C 1.236 177.383 176.117 0.050 0.000 1.115 293 I CA 0.833 62.167 61.300 0.057 0.000 1.446 293 I CB -0.854 37.209 38.000 0.105 0.000 1.176 293 I HN -0.027 nan 8.210 nan 0.000 0.446 294 G N 1.663 110.501 108.800 0.064 0.000 2.333 294 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.296 294 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.296 294 G C 0.824 175.764 174.900 0.067 0.000 1.059 294 G CA 0.380 45.518 45.100 0.063 0.000 1.050 294 G HN 0.646 nan 8.290 nan 0.000 0.508 295 C N -0.308 119.053 119.300 0.102 0.000 2.514 295 C HA 0.547 5.006 4.460 -0.001 0.000 0.271 295 C C 1.991 177.050 174.990 0.115 0.000 1.399 295 C CA 0.216 59.298 59.018 0.107 0.000 1.765 295 C CB -0.850 26.991 27.740 0.169 0.000 1.893 295 C HN 1.476 nan 8.230 nan 0.000 0.531 296 G N 1.709 110.579 108.800 0.118 0.000 2.414 296 G HA2 0.423 4.382 3.960 -0.001 0.000 0.236 296 G HA3 0.423 4.382 3.960 -0.001 0.000 0.236 296 G C -0.152 174.802 174.900 0.089 0.000 1.293 296 G CA -0.241 44.928 45.100 0.113 0.000 0.869 296 G HN 0.575 nan 8.290 nan 0.000 0.556 297 R N 0.542 121.091 120.500 0.082 0.000 2.604 297 R HA 0.499 4.838 4.340 -0.001 0.000 0.287 297 R C -1.009 175.315 176.300 0.041 0.000 0.970 297 R CA -0.839 55.299 56.100 0.064 0.000 0.946 297 R CB 1.997 32.340 30.300 0.072 0.000 1.127 297 R HN 0.252 nan 8.270 nan 0.000 0.473 298 V N 3.751 123.687 119.914 0.037 0.000 2.380 298 V HA 0.285 4.404 4.120 -0.001 0.000 0.286 298 V C -0.334 175.776 176.094 0.027 0.000 1.015 298 V CA -0.821 61.490 62.300 0.019 0.000 0.834 298 V CB 1.441 33.283 31.823 0.031 0.000 1.009 298 V HN 0.627 nan 8.190 nan 0.000 0.428 299 N N 3.439 122.145 118.700 0.010 0.000 2.459 299 N HA 0.585 5.325 4.740 -0.001 0.000 0.288 299 N C -0.746 174.770 175.510 0.009 0.000 1.186 299 N CA -0.790 52.282 53.050 0.036 0.000 0.917 299 N CB 2.387 40.893 38.487 0.032 0.000 1.219 299 N HN 0.375 nan 8.380 nan 0.000 0.525 300 R N 1.585 122.111 120.500 0.043 0.000 2.532 300 R HA 0.491 4.831 4.340 -0.001 0.000 0.297 300 R C -1.451 174.859 176.300 0.017 0.000 0.984 300 R CA -0.435 55.675 56.100 0.017 0.000 0.884 300 R CB 0.732 31.057 30.300 0.042 0.000 1.182 300 R HN 0.563 nan 8.270 nan 0.000 0.442 301 L N 5.929 127.116 121.223 -0.059 0.000 2.362 301 L HA 0.500 4.840 4.340 -0.001 0.000 0.271 301 L C -1.257 175.587 176.870 -0.042 0.000 1.002 301 L CA -2.073 52.713 54.840 -0.090 0.000 0.818 301 L CB 2.840 44.780 42.059 -0.197 0.000 1.298 301 L HN 0.402 nan 8.230 nan 0.000 0.420 302 P HA -0.118 nan 4.420 nan 0.000 0.222 302 P C 1.083 178.374 177.300 -0.014 0.000 1.147 302 P CA 1.136 64.239 63.100 0.005 0.000 0.790 302 P CB 0.104 31.821 31.700 0.029 0.000 0.780 303 T N -1.615 112.919 114.554 -0.033 0.000 2.818 303 T HA -0.035 4.314 4.350 -0.001 0.000 0.246 303 T C 1.911 176.577 174.700 -0.056 0.000 1.036 303 T CA 1.348 63.429 62.100 -0.031 0.000 1.160 303 T CB -1.388 67.469 68.868 -0.019 0.000 0.869 303 T HN 0.029 nan 8.240 nan 0.000 0.419 304 V N -0.750 119.099 119.914 -0.109 0.000 3.541 304 V HA 0.590 4.709 4.120 -0.001 0.000 0.267 304 V C 1.464 177.446 176.094 -0.188 0.000 1.213 304 V CA 0.141 62.335 62.300 -0.177 0.000 1.149 304 V CB -1.355 30.266 31.823 -0.337 0.000 0.822 304 V HN 1.075 nan 8.190 nan 0.000 0.462 305 G N 0.707 109.431 108.800 -0.127 0.000 2.527 305 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.227 305 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.227 305 G C -0.300 174.540 174.900 -0.099 0.000 1.291 305 G CA 0.204 45.253 45.100 -0.086 0.000 0.904 305 G HN 0.818 nan 8.290 nan 0.000 0.577 306 E N -0.052 120.116 120.200 -0.054 0.000 2.338 306 E HA 0.547 4.897 4.350 -0.001 0.000 0.272 306 E C 0.215 176.784 176.600 -0.052 0.000 1.029 306 E CA 0.589 56.968 56.400 -0.036 0.000 0.872 306 E CB 0.804 30.507 29.700 0.004 0.000 1.015 306 E HN 0.758 nan 8.360 nan 0.000 0.417 307 T N 2.693 117.199 114.554 -0.079 0.000 2.762 307 T HA 0.321 4.671 4.350 -0.001 0.000 0.301 307 T C -1.551 173.013 174.700 -0.227 0.000 1.299 307 T CA -0.685 61.340 62.100 -0.126 0.000 1.005 307 T CB 1.300 70.103 68.868 -0.109 0.000 1.377 307 T HN 0.515 nan 8.240 nan 0.000 0.504 308 E N 0.103 119.975 120.200 -0.547 0.000 2.244 308 E HA 0.617 4.967 4.350 -0.001 0.000 0.266 308 E C 0.112 176.601 176.600 -0.185 0.000 0.914 308 E CA -0.316 55.878 56.400 -0.342 0.000 0.794 308 E CB 1.776 31.288 29.700 -0.312 0.000 1.210 308 E HN 1.160 nan 8.360 nan 0.000 0.414 309 G N 2.207 110.990 108.800 -0.029 0.000 2.660 309 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.215 309 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.215 309 G C -2.770 172.152 174.900 0.037 0.000 1.345 309 G CA -0.884 44.242 45.100 0.042 0.000 0.877 309 G HN 0.444 nan 8.290 nan 0.000 0.549 310 P HA 0.398 nan 4.420 nan 0.000 0.279 310 P C -0.448 176.924 177.300 0.119 0.000 1.252 310 P CA -0.226 62.924 63.100 0.084 0.000 0.811 310 P CB 1.181 32.921 31.700 0.067 0.000 1.035 311 E N 0.700 120.985 120.200 0.143 0.000 2.312 311 E HA 0.024 4.373 4.350 -0.001 0.000 0.259 311 E C 0.965 177.693 176.600 0.214 0.000 1.122 311 E CA -0.489 56.028 56.400 0.195 0.000 0.922 311 E CB 0.081 29.913 29.700 0.221 0.000 1.109 311 E HN 0.483 nan 8.360 nan 0.000 0.442 312 Y N 1.790 122.175 120.300 0.140 0.000 2.069 312 Y HA -0.324 4.228 4.550 0.004 0.000 0.278 312 Y C 2.015 178.020 175.900 0.176 0.000 1.175 312 Y CA 2.619 60.800 58.100 0.136 0.000 1.134 312 Y CB -0.066 38.459 38.460 0.109 0.000 0.965 312 Y HN 0.564 nan 8.280 nan 0.000 0.498 313 E N -0.104 120.080 120.200 -0.026 0.000 2.118 313 E HA -0.172 4.178 4.350 -0.001 0.000 0.195 313 E C 2.339 178.961 176.600 0.037 0.000 0.992 313 E CA 1.834 58.185 56.400 -0.082 0.000 0.804 313 E CB -0.334 29.436 29.700 0.117 0.000 0.741 313 E HN 0.530 nan 8.360 nan 0.000 0.458 314 S N -0.903 114.831 115.700 0.058 0.000 2.387 314 S HA -0.079 4.391 4.470 -0.001 0.000 0.226 314 S C 2.052 176.647 174.600 -0.009 0.000 1.026 314 S CA 0.815 59.037 58.200 0.036 0.000 0.972 314 S CB -0.101 63.138 63.200 0.065 0.000 0.814 314 S HN 0.086 nan 8.310 nan 0.000 0.477 315 V N 0.614 120.539 119.914 0.018 0.000 2.343 315 V HA -0.182 3.937 4.120 -0.001 0.000 0.247 315 V C 1.896 177.979 176.094 -0.017 0.000 1.051 315 V CA 1.805 64.123 62.300 0.030 0.000 1.036 315 V CB -0.588 31.300 31.823 0.108 0.000 0.654 315 V HN 0.732 nan 8.190 nan 0.000 0.451 316 W N 1.091 122.246 121.300 -0.241 0.000 2.380 316 W HA -0.111 4.548 4.660 -0.000 0.000 0.317 316 W C 2.473 178.802 176.519 -0.316 0.000 1.196 316 W CA 1.881 59.022 57.345 -0.340 0.000 1.307 316 W CB -0.627 28.487 29.460 -0.578 0.000 1.157 316 W HN 0.153 nan 8.180 nan 0.000 0.483 317 A N 0.507 122.922 122.820 -0.674 0.000 1.948 317 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 317 A C 1.976 179.175 177.584 -0.642 0.000 1.177 317 A CA 2.099 53.575 52.037 -0.935 0.000 0.636 317 A CB -1.005 17.793 19.000 -0.337 0.000 0.815 317 A HN 0.451 nan 8.150 nan 0.000 0.449 318 L N -2.042 118.950 121.223 -0.384 0.000 2.640 318 L HA 0.282 4.622 4.340 -0.001 0.000 0.230 318 L C 1.791 178.527 176.870 -0.224 0.000 1.123 318 L CA 0.168 54.861 54.840 -0.245 0.000 0.900 318 L CB 0.123 42.104 42.059 -0.131 0.000 1.146 318 L HN 0.432 nan 8.230 nan 0.000 0.484 319 G N -0.618 107.995 108.800 -0.311 0.000 2.694 319 G HA2 0.264 4.224 3.960 -0.001 0.000 0.212 319 G HA3 0.264 4.224 3.960 -0.001 0.000 0.212 319 G C 1.326 175.992 174.900 -0.390 0.000 2.030 319 G CA 0.520 45.480 45.100 -0.232 0.000 0.731 319 G HN 0.060 nan 8.290 nan 0.000 0.795 320 A N 0.558 123.054 122.820 -0.540 0.000 1.948 320 A HA -0.175 4.145 4.320 -0.001 0.000 0.220 320 A C 2.048 179.189 177.584 -0.737 0.000 1.177 320 A CA 2.209 53.702 52.037 -0.906 0.000 0.636 320 A CB -0.997 17.413 19.000 -0.984 0.000 0.815 320 A HN 0.579 nan 8.150 nan 0.000 0.449 321 N N -0.238 117.935 118.700 -0.878 0.000 2.137 321 N HA -0.125 4.614 4.740 -0.001 0.000 0.190 321 N C 1.199 176.494 175.510 -0.359 0.000 1.017 321 N CA 1.378 53.947 53.050 -0.801 0.000 0.859 321 N CB -0.130 37.500 38.487 -1.427 0.000 1.002 321 N HN 0.535 nan 8.380 nan 0.000 0.428 322 L N -0.392 120.668 121.223 -0.272 0.000 2.667 322 L HA 0.280 4.620 4.340 -0.001 0.000 0.232 322 L C 1.087 178.039 176.870 0.135 0.000 1.138 322 L CA 0.182 55.046 54.840 0.040 0.000 0.921 322 L CB 0.305 42.342 42.059 -0.037 0.000 1.180 322 L HN 0.213 nan 8.230 nan 0.000 0.487 323 G N 1.496 110.248 108.800 -0.080 0.000 2.198 323 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 323 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 323 G C 0.064 175.032 174.900 0.113 0.000 1.025 323 G CA 0.070 45.172 45.100 0.004 0.000 0.769 323 G HN 0.342 nan 8.290 nan 0.000 0.507 324 I N 0.996 121.574 120.570 0.013 0.000 2.377 324 I HA 0.251 4.421 4.170 -0.001 0.000 0.293 324 I C 1.391 177.599 176.117 0.153 0.000 0.987 324 I CA -0.701 60.650 61.300 0.084 0.000 1.185 324 I CB 1.276 39.291 38.000 0.025 0.000 1.341 324 I HN 0.264 nan 8.210 nan 0.000 0.455 325 N N 3.874 122.715 118.700 0.235 0.000 2.432 325 N HA -0.074 4.666 4.740 -0.001 0.000 0.174 325 N C 0.495 176.106 175.510 0.168 0.000 1.037 325 N CA 0.084 53.308 53.050 0.290 0.000 0.892 325 N CB -0.005 38.583 38.487 0.169 0.000 1.049 325 N HN 0.499 nan 8.380 nan 0.000 0.442 326 D N 1.649 122.113 120.400 0.106 0.000 2.433 326 D HA -0.071 4.568 4.640 -0.001 0.000 0.274 326 D C 1.175 177.526 176.300 0.085 0.000 1.344 326 D CA -0.143 53.911 54.000 0.089 0.000 0.989 326 D CB 0.399 41.244 40.800 0.074 0.000 1.116 326 D HN 0.110 nan 8.370 nan 0.000 0.533 327 L N 5.187 126.484 121.223 0.122 0.000 2.083 327 L HA -0.090 4.250 4.340 -0.001 0.000 0.209 327 L C 2.125 179.000 176.870 0.008 0.000 1.083 327 L CA 2.134 57.046 54.840 0.119 0.000 0.752 327 L CB -0.723 41.475 42.059 0.232 0.000 0.899 327 L HN 0.466 nan 8.230 nan 0.000 0.433 328 A N -1.611 121.192 122.820 -0.027 0.000 1.902 328 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 328 A C 2.402 179.900 177.584 -0.143 0.000 1.181 328 A CA 1.980 53.875 52.037 -0.237 0.000 0.623 328 A CB -0.944 17.962 19.000 -0.157 0.000 0.818 328 A HN 0.500 nan 8.150 nan 0.000 0.443 329 S N -0.293 115.375 115.700 -0.053 0.000 2.399 329 S HA -0.079 4.390 4.470 -0.001 0.000 0.231 329 S C 1.757 176.285 174.600 -0.119 0.000 1.022 329 S CA 1.356 59.503 58.200 -0.089 0.000 0.983 329 S CB -0.465 62.737 63.200 0.003 0.000 0.803 329 S HN 0.542 nan 8.310 nan 0.000 0.480 330 I N 1.075 121.606 120.570 -0.066 0.000 2.252 330 I HA -0.155 4.015 4.170 -0.001 0.000 0.245 330 I C 1.964 178.048 176.117 -0.055 0.000 1.102 330 I CA 1.134 62.402 61.300 -0.053 0.000 1.385 330 I CB -0.329 37.662 38.000 -0.015 0.000 1.064 330 I HN 0.253 nan 8.210 nan 0.000 0.414 331 I N 0.561 121.082 120.570 -0.081 0.000 2.252 331 I HA -0.254 3.916 4.170 -0.001 0.000 0.245 331 I C 2.425 178.504 176.117 -0.063 0.000 1.102 331 I CA 1.434 62.685 61.300 -0.083 0.000 1.385 331 I CB -0.344 37.551 38.000 -0.175 0.000 1.064 331 I HN 0.239 nan 8.210 nan 0.000 0.414 332 E N 0.988 121.124 120.200 -0.107 0.000 2.051 332 E HA -0.220 4.129 4.350 -0.001 0.000 0.192 332 E C 2.358 178.939 176.600 -0.031 0.000 0.991 332 E CA 1.345 57.696 56.400 -0.083 0.000 0.799 332 E CB -0.205 29.402 29.700 -0.155 0.000 0.748 332 E HN 0.506 nan 8.360 nan 0.000 0.449 333 A N 1.483 124.254 122.820 -0.081 0.000 1.933 333 A HA -0.264 4.055 4.320 -0.001 0.000 0.218 333 A C 1.930 179.519 177.584 0.008 0.000 1.175 333 A CA 1.918 53.924 52.037 -0.052 0.000 0.628 333 A CB -0.717 18.239 19.000 -0.073 0.000 0.814 333 A HN 0.222 nan 8.150 nan 0.000 0.444 334 N N -1.022 117.693 118.700 0.025 0.000 2.084 334 N HA -0.227 4.513 4.740 -0.001 0.000 0.190 334 N C 1.694 177.268 175.510 0.108 0.000 1.030 334 N CA 1.988 55.074 53.050 0.060 0.000 0.849 334 N CB -0.405 38.118 38.487 0.059 0.000 1.012 334 N HN 0.668 nan 8.380 nan 0.000 0.423 335 H N -0.304 118.786 119.070 0.033 0.000 2.352 335 H HA -0.000 4.555 4.556 -0.001 0.000 0.299 335 H C 1.944 177.308 175.328 0.059 0.000 1.097 335 H CA 2.067 58.165 56.048 0.084 0.000 1.311 335 H CB -0.068 29.722 29.762 0.047 0.000 1.377 335 H HN 0.267 nan 8.280 nan 0.000 0.504 336 M N -1.068 118.564 119.600 0.053 0.000 2.175 336 M HA -0.176 4.304 4.480 -0.001 0.000 0.264 336 M C 2.465 178.736 176.300 -0.049 0.000 1.063 336 M CA 1.148 56.436 55.300 -0.020 0.000 1.119 336 M CB -0.179 32.430 32.600 0.014 0.000 1.377 336 M HN 0.420 nan 8.290 nan 0.000 0.415 337 C N 0.607 119.901 119.300 -0.009 0.000 2.425 337 C HA -0.143 4.317 4.460 -0.001 0.000 0.277 337 C C 2.217 177.187 174.990 -0.034 0.000 1.280 337 C CA 0.861 59.881 59.018 0.003 0.000 1.744 337 C CB -0.994 26.770 27.740 0.041 0.000 1.989 337 C HN 0.533 nan 8.230 nan 0.000 0.491 338 D N 0.499 120.868 120.400 -0.052 0.000 2.097 338 D HA -0.089 4.550 4.640 -0.001 0.000 0.197 338 D C 2.268 178.444 176.300 -0.206 0.000 0.984 338 D CA 1.026 54.963 54.000 -0.104 0.000 0.826 338 D CB -0.485 40.286 40.800 -0.047 0.000 0.973 338 D HN 0.475 nan 8.370 nan 0.000 0.460 339 E N 0.208 120.246 120.200 -0.270 0.000 2.110 339 E HA -0.085 4.264 4.350 -0.001 0.000 0.193 339 E C 2.304 178.798 176.600 -0.178 0.000 0.988 339 E CA 0.480 56.724 56.400 -0.260 0.000 0.804 339 E CB -0.093 29.439 29.700 -0.281 0.000 0.745 339 E HN 0.361 nan 8.360 nan 0.000 0.458 340 L N -0.713 120.426 121.223 -0.140 0.000 2.446 340 L HA 0.129 4.468 4.340 -0.001 0.000 0.219 340 L C 1.102 177.895 176.870 -0.128 0.000 1.116 340 L CA 0.454 55.219 54.840 -0.125 0.000 0.844 340 L CB -0.003 42.000 42.059 -0.093 0.000 0.970 340 L HN 0.164 nan 8.230 nan 0.000 0.457 341 G N 1.290 110.024 108.800 -0.110 0.000 2.370 341 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.268 341 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.268 341 G C -0.475 174.389 174.900 -0.060 0.000 1.122 341 G CA -0.351 44.692 45.100 -0.096 0.000 0.963 341 G HN 0.154 nan 8.290 nan 0.000 0.500 342 L N -0.008 121.209 121.223 -0.009 0.000 2.362 342 L HA 0.506 4.845 4.340 -0.001 0.000 0.271 342 L C -0.078 176.870 176.870 0.129 0.000 1.002 342 L CA -1.218 53.666 54.840 0.073 0.000 0.818 342 L CB 1.890 44.014 42.059 0.109 0.000 1.298 342 L HN 0.229 nan 8.230 nan 0.000 0.420 343 D N 0.767 121.299 120.400 0.219 0.000 2.358 343 D HA 0.021 4.661 4.640 -0.001 0.000 0.258 343 D C 1.283 177.665 176.300 0.137 0.000 1.223 343 D CA 0.013 54.115 54.000 0.170 0.000 0.886 343 D CB 1.388 42.303 40.800 0.190 0.000 1.120 343 D HN 0.665 nan 8.370 nan 0.000 0.482 344 T N 1.939 116.548 114.554 0.092 0.000 2.788 344 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 344 T C 2.141 176.847 174.700 0.011 0.000 1.044 344 T CA 0.862 62.993 62.100 0.052 0.000 1.139 344 T CB -0.312 68.588 68.868 0.053 0.000 0.867 344 T HN 0.516 nan 8.240 nan 0.000 0.454 345 I N 1.322 121.920 120.570 0.048 0.000 2.163 345 I HA -0.127 4.043 4.170 -0.001 0.000 0.240 345 I C 2.945 179.035 176.117 -0.045 0.000 1.081 345 I CA 1.236 62.572 61.300 0.061 0.000 1.353 345 I CB -0.520 37.574 38.000 0.157 0.000 1.054 345 I HN 0.243 nan 8.210 nan 0.000 0.407 346 S N 0.158 115.781 115.700 -0.128 0.000 2.402 346 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 346 S C 2.037 176.216 174.600 -0.703 0.000 1.021 346 S CA 1.693 59.643 58.200 -0.416 0.000 0.974 346 S CB -0.289 62.597 63.200 -0.523 0.000 0.800 346 S HN 0.457 nan 8.310 nan 0.000 0.484 347 T N 1.559 115.835 114.554 -0.462 0.000 2.674 347 T HA -0.072 4.277 4.350 -0.001 0.000 0.265 347 T C 2.086 176.675 174.700 -0.185 0.000 1.039 347 T CA 1.461 63.422 62.100 -0.233 0.000 1.150 347 T CB -0.907 68.003 68.868 0.070 0.000 0.864 347 T HN 0.537 nan 8.240 nan 0.000 0.427 348 G N 0.745 109.441 108.800 -0.175 0.000 2.422 348 G HA2 -0.033 3.927 3.960 -0.001 0.000 0.218 348 G HA3 -0.033 3.927 3.960 -0.001 0.000 0.218 348 G C 1.719 176.484 174.900 -0.226 0.000 1.146 348 G CA 0.948 45.917 45.100 -0.219 0.000 0.769 348 G HN 0.574 nan 8.290 nan 0.000 0.547 349 G N 0.074 108.760 108.800 -0.190 0.000 2.408 349 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.217 349 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.217 349 G C 1.807 176.641 174.900 -0.110 0.000 1.150 349 G CA 1.669 46.716 45.100 -0.089 0.000 0.776 349 G HN 0.385 nan 8.290 nan 0.000 0.542 350 T N 1.247 115.680 114.554 -0.202 0.000 2.812 350 T HA 0.042 4.391 4.350 -0.001 0.000 0.264 350 T C 2.400 177.002 174.700 -0.162 0.000 1.042 350 T CA 0.558 62.556 62.100 -0.172 0.000 1.140 350 T CB -0.139 68.604 68.868 -0.209 0.000 0.870 350 T HN 0.139 nan 8.240 nan 0.000 0.445 351 L N 0.773 121.903 121.223 -0.154 0.000 2.141 351 L HA -0.013 4.327 4.340 -0.001 0.000 0.209 351 L C 2.961 179.706 176.870 -0.209 0.000 1.094 351 L CA 0.908 55.642 54.840 -0.177 0.000 0.763 351 L CB -0.578 41.440 42.059 -0.068 0.000 0.908 351 L HN 0.242 nan 8.230 nan 0.000 0.437 352 A N -0.479 122.264 122.820 -0.128 0.000 1.930 352 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 352 A C 2.360 179.919 177.584 -0.042 0.000 1.175 352 A CA 2.061 54.085 52.037 -0.022 0.000 0.627 352 A CB -0.737 18.300 19.000 0.062 0.000 0.815 352 A HN 0.335 nan 8.150 nan 0.000 0.443 353 T N 0.355 114.866 114.554 -0.071 0.000 2.746 353 T HA -0.032 4.318 4.350 -0.001 0.000 0.267 353 T C 2.223 176.799 174.700 -0.206 0.000 1.039 353 T CA 1.572 63.628 62.100 -0.074 0.000 1.142 353 T CB -0.418 68.416 68.868 -0.056 0.000 0.866 353 T HN 0.580 nan 8.240 nan 0.000 0.444 354 A N 1.223 123.820 122.820 -0.372 0.000 1.933 354 A HA -0.023 4.297 4.320 -0.001 0.000 0.218 354 A C 2.327 179.544 177.584 -0.612 0.000 1.175 354 A CA 1.382 53.037 52.037 -0.636 0.000 0.628 354 A CB -0.640 17.629 19.000 -1.218 0.000 0.814 354 A HN 0.450 nan 8.150 nan 0.000 0.444 355 M N -1.397 117.844 119.600 -0.599 0.000 2.175 355 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 355 M C 2.185 178.040 176.300 -0.742 0.000 1.063 355 M CA 1.841 56.663 55.300 -0.797 0.000 1.119 355 M CB -0.250 31.591 32.600 -1.264 0.000 1.377 355 M HN 0.628 nan 8.290 nan 0.000 0.415 356 E N 0.746 120.730 120.200 -0.361 0.000 2.112 356 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 356 E C 1.965 178.548 176.600 -0.029 0.000 0.979 356 E CA 0.641 57.058 56.400 0.028 0.000 0.814 356 E CB 0.099 29.945 29.700 0.244 0.000 0.762 356 E HN 0.444 nan 8.360 nan 0.000 0.460 357 L N 0.099 121.263 121.223 -0.098 0.000 2.083 357 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 357 L C 2.402 179.182 176.870 -0.151 0.000 1.083 357 L CA 1.264 56.054 54.840 -0.084 0.000 0.752 357 L CB -0.434 41.492 42.059 -0.222 0.000 0.899 357 L HN 0.298 nan 8.230 nan 0.000 0.433 358 Y N 0.670 120.790 120.300 -0.301 0.000 2.200 358 Y HA -0.273 4.276 4.550 -0.001 0.000 0.290 358 Y C 2.677 178.439 175.900 -0.231 0.000 1.137 358 Y CA 1.891 59.834 58.100 -0.261 0.000 1.163 358 Y CB -0.024 38.295 38.460 -0.235 0.000 0.988 358 Y HN 0.186 nan 8.280 nan 0.000 0.518 359 E N 0.105 120.271 120.200 -0.057 0.000 2.077 359 E HA -0.203 4.147 4.350 -0.001 0.000 0.193 359 E C 1.418 177.939 176.600 -0.132 0.000 0.989 359 E CA 1.216 57.599 56.400 -0.028 0.000 0.800 359 E CB 0.035 29.839 29.700 0.172 0.000 0.746 359 E HN 0.277 nan 8.360 nan 0.000 0.452 360 K N -0.570 119.710 120.400 -0.201 0.000 2.487 360 K HA 0.042 4.362 4.320 -0.001 0.000 0.192 360 K C 1.083 177.293 176.600 -0.650 0.000 1.027 360 K CA 0.772 56.843 56.287 -0.360 0.000 1.054 360 K CB 0.377 32.680 32.500 -0.328 0.000 0.824 360 K HN 0.346 nan 8.250 nan 0.000 0.510 361 G N 1.764 110.239 108.800 -0.542 0.000 2.143 361 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.248 361 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.248 361 G C 0.579 175.211 174.900 -0.447 0.000 0.991 361 G CA 0.442 45.246 45.100 -0.493 0.000 0.689 361 G HN 0.405 nan 8.290 nan 0.000 0.522 362 H N -0.608 118.347 119.070 -0.192 0.000 2.482 362 H HA 0.247 4.803 4.556 -0.001 0.000 0.286 362 H C 1.503 176.749 175.328 -0.138 0.000 1.017 362 H CA 0.790 56.764 56.048 -0.123 0.000 1.322 362 H CB 0.499 30.168 29.762 -0.155 0.000 1.426 362 H HN 0.461 nan 8.280 nan 0.000 0.546 363 I N 2.292 122.763 120.570 -0.166 0.000 2.355 363 I HA 0.164 4.334 4.170 -0.001 0.000 0.288 363 I C -0.341 175.737 176.117 -0.066 0.000 0.999 363 I CA -0.615 60.631 61.300 -0.091 0.000 1.163 363 I CB 1.419 39.348 38.000 -0.119 0.000 1.316 363 I HN -0.177 nan 8.210 nan 0.000 0.454 364 K N 3.825 124.236 120.400 0.018 0.000 2.095 364 K HA 0.293 4.613 4.320 -0.001 0.000 0.252 364 K C 0.236 176.856 176.600 0.034 0.000 0.977 364 K CA -0.508 55.757 56.287 -0.036 0.000 0.900 364 K CB 1.029 33.526 32.500 -0.006 0.000 1.060 364 K HN 0.383 nan 8.250 nan 0.000 0.449 365 D N 1.172 121.583 120.400 0.018 0.000 2.149 365 D HA -0.182 4.457 4.640 -0.001 0.000 0.198 365 D C 1.113 177.436 176.300 0.039 0.000 0.990 365 D CA 1.193 55.230 54.000 0.061 0.000 0.839 365 D CB 0.222 41.047 40.800 0.041 0.000 0.948 365 D HN 0.559 nan 8.370 nan 0.000 0.460 366 E N 0.959 121.180 120.200 0.036 0.000 2.265 366 E HA -0.239 4.111 4.350 -0.001 0.000 0.196 366 E C 1.646 178.290 176.600 0.073 0.000 0.996 366 E CA 0.792 57.218 56.400 0.043 0.000 0.832 366 E CB -0.340 29.383 29.700 0.038 0.000 0.756 366 E HN 0.511 nan 8.360 nan 0.000 0.491 367 E N 0.624 120.884 120.200 0.101 0.000 2.250 367 E HA 0.014 4.364 4.350 -0.001 0.000 0.192 367 E C 2.093 178.788 176.600 0.160 0.000 0.986 367 E CA 0.060 56.560 56.400 0.167 0.000 0.849 367 E CB 0.164 30.009 29.700 0.241 0.000 0.797 367 E HN 0.219 nan 8.360 nan 0.000 0.482 368 L N -0.521 120.737 121.223 0.058 0.000 2.209 368 L HA 0.182 4.522 4.340 -0.001 0.000 0.207 368 L C 1.684 178.563 176.870 0.015 0.000 1.094 368 L CA 0.497 55.331 54.840 -0.011 0.000 0.790 368 L CB -0.416 41.574 42.059 -0.115 0.000 0.932 368 L HN 0.369 nan 8.230 nan 0.000 0.447 369 G N 0.598 109.408 108.800 0.015 0.000 2.559 369 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.282 369 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.282 369 G C 0.292 175.166 174.900 -0.044 0.000 1.177 369 G CA 0.337 45.440 45.100 0.006 0.000 0.960 369 G HN 0.248 nan 8.290 nan 0.000 0.540 370 D N 2.233 122.595 120.400 -0.063 0.000 2.369 370 D HA 0.515 5.154 4.640 -0.001 0.000 0.211 370 D C 1.343 177.499 176.300 -0.240 0.000 1.077 370 D CA 0.869 54.799 54.000 -0.116 0.000 0.842 370 D CB 0.227 40.979 40.800 -0.081 0.000 0.947 370 D HN 0.801 nan 8.370 nan 0.000 0.509 371 A N 1.591 124.237 122.820 -0.289 0.000 2.386 371 A HA 0.403 4.722 4.320 -0.001 0.000 0.248 371 A C -2.215 175.025 177.584 -0.575 0.000 1.082 371 A CA -0.955 50.708 52.037 -0.623 0.000 0.789 371 A CB -0.070 18.684 19.000 -0.409 0.000 1.025 371 A HN -0.103 nan 8.150 nan 0.000 0.490 372 P HA 0.136 nan 4.420 nan 0.000 0.261 372 P C -2.418 174.571 177.300 -0.518 0.000 1.173 372 P CA -0.197 62.593 63.100 -0.516 0.000 0.760 372 P CB -0.193 31.220 31.700 -0.480 0.000 0.783 373 P HA 0.069 nan 4.420 nan 0.000 0.271 373 P C -0.446 176.327 177.300 -0.878 0.000 1.216 373 P CA 0.077 62.801 63.100 -0.626 0.000 0.776 373 P CB 0.157 31.637 31.700 -0.366 0.000 0.881 374 F N 2.231 121.471 119.950 -1.182 0.000 2.651 374 F HA 0.167 4.693 4.527 -0.001 0.000 0.369 374 F C 1.529 176.685 175.800 -1.073 0.000 1.187 374 F CA 0.328 57.733 58.000 -0.992 0.000 1.335 374 F CB -0.600 37.906 39.000 -0.822 0.000 1.707 374 F HN 0.070 nan 8.300 nan 0.000 0.637 375 R N 0.773 120.914 120.500 -0.599 0.000 2.312 375 R HA 0.270 4.609 4.340 -0.001 0.000 0.311 375 R C -0.704 175.487 176.300 -0.181 0.000 1.004 375 R CA -0.745 55.150 56.100 -0.341 0.000 0.902 375 R CB 0.717 30.914 30.300 -0.172 0.000 1.073 375 R HN 0.329 nan 8.270 nan 0.000 0.457 376 W N 3.429 124.731 121.300 0.003 0.000 2.293 376 W HA 0.082 4.742 4.660 0.000 0.000 0.342 376 W C 1.562 178.089 176.519 0.012 0.000 1.274 376 W CA 1.311 58.660 57.345 0.006 0.000 1.290 376 W CB 0.379 29.855 29.460 0.026 0.000 1.176 376 W HN 0.969 nan 8.180 nan 0.000 0.570 377 G N 1.711 110.670 108.800 0.265 0.000 2.184 377 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.264 377 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.264 377 G C 0.270 175.226 174.900 0.095 0.000 0.975 377 G CA 0.183 45.385 45.100 0.169 0.000 0.642 377 G HN 0.681 nan 8.290 nan 0.000 0.536 378 N N 1.205 119.938 118.700 0.054 0.000 2.402 378 N HA 0.293 5.033 4.740 -0.001 0.000 0.259 378 N C 1.900 177.429 175.510 0.032 0.000 1.167 378 N CA 0.567 53.621 53.050 0.007 0.000 0.949 378 N CB 0.293 38.739 38.487 -0.069 0.000 1.212 378 N HN 0.340 nan 8.380 nan 0.000 0.493 379 T N 0.215 114.804 114.554 0.059 0.000 3.007 379 T HA -0.165 4.185 4.350 -0.001 0.000 0.270 379 T C 1.331 176.154 174.700 0.205 0.000 1.107 379 T CA 0.840 63.014 62.100 0.124 0.000 1.118 379 T CB -0.056 68.902 68.868 0.150 0.000 0.889 379 T HN 0.591 nan 8.240 nan 0.000 0.506 380 E N 0.600 120.850 120.200 0.083 0.000 2.268 380 E HA -0.066 4.284 4.350 -0.001 0.000 0.195 380 E C 1.912 178.573 176.600 0.100 0.000 0.995 380 E CA 0.452 56.886 56.400 0.057 0.000 0.836 380 E CB -0.156 29.492 29.700 -0.087 0.000 0.763 380 E HN 0.408 nan 8.360 nan 0.000 0.491 381 V N 1.045 121.014 119.914 0.093 0.000 2.490 381 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 381 V C 2.234 178.497 176.094 0.282 0.000 1.061 381 V CA 1.343 63.770 62.300 0.212 0.000 1.064 381 V CB -0.322 31.581 31.823 0.133 0.000 0.670 381 V HN 0.377 nan 8.190 nan 0.000 0.461 382 L N -1.067 120.263 121.223 0.178 0.000 2.109 382 L HA -0.116 4.224 4.340 -0.001 0.000 0.207 382 L C 2.486 179.386 176.870 0.050 0.000 1.086 382 L CA 1.487 56.381 54.840 0.089 0.000 0.760 382 L CB -0.650 41.395 42.059 -0.024 0.000 0.910 382 L HN 0.389 nan 8.230 nan 0.000 0.437 383 H N -2.489 116.617 119.070 0.060 0.000 2.462 383 H HA -0.148 4.407 4.556 -0.001 0.000 0.292 383 H C 1.632 176.981 175.328 0.036 0.000 1.049 383 H CA 1.549 57.620 56.048 0.038 0.000 1.334 383 H CB 0.099 29.875 29.762 0.023 0.000 1.404 383 H HN 0.271 nan 8.280 nan 0.000 0.544 384 Y N -0.917 119.389 120.300 0.010 0.000 2.284 384 Y HA -0.072 4.478 4.550 -0.001 0.000 0.293 384 Y C 1.489 177.280 175.900 -0.182 0.000 1.140 384 Y CA 0.715 58.713 58.100 -0.169 0.000 1.153 384 Y CB -0.257 37.964 38.460 -0.398 0.000 1.114 384 Y HN 0.008 nan 8.280 nan 0.000 0.521 385 Y N 0.383 120.810 120.300 0.212 0.000 2.242 385 Y HA -0.191 4.358 4.550 -0.001 0.000 0.291 385 Y C 2.345 178.292 175.900 0.078 0.000 1.137 385 Y CA 1.566 59.765 58.100 0.164 0.000 1.181 385 Y CB -0.653 37.974 38.460 0.279 0.000 0.989 385 Y HN 0.136 nan 8.280 nan 0.000 0.527 386 I N 0.056 120.744 120.570 0.198 0.000 2.194 386 I HA -0.356 3.814 4.170 -0.001 0.000 0.246 386 I C 2.484 178.632 176.117 0.052 0.000 1.093 386 I CA 1.949 63.322 61.300 0.123 0.000 1.355 386 I CB -0.310 37.735 38.000 0.075 0.000 1.046 386 I HN 0.313 nan 8.210 nan 0.000 0.413 387 E N 0.984 121.175 120.200 -0.015 0.000 2.107 387 E HA -0.189 4.161 4.350 -0.001 0.000 0.191 387 E C 2.067 178.630 176.600 -0.063 0.000 0.982 387 E CA 0.725 57.088 56.400 -0.061 0.000 0.809 387 E CB 0.233 29.870 29.700 -0.106 0.000 0.756 387 E HN 0.256 nan 8.360 nan 0.000 0.459 388 K N 0.515 120.875 120.400 -0.067 0.000 2.147 388 K HA -0.119 4.200 4.320 -0.001 0.000 0.205 388 K C 2.110 178.744 176.600 0.055 0.000 1.049 388 K CA 0.844 57.121 56.287 -0.018 0.000 0.936 388 K CB -0.245 32.278 32.500 0.039 0.000 0.722 388 K HN 0.341 nan 8.250 nan 0.000 0.446 389 I N 0.960 121.586 120.570 0.093 0.000 2.163 389 I HA -0.231 3.938 4.170 -0.001 0.000 0.240 389 I C 2.458 178.553 176.117 -0.036 0.000 1.081 389 I CA 1.051 62.393 61.300 0.069 0.000 1.353 389 I CB -0.463 37.619 38.000 0.136 0.000 1.054 389 I HN 0.034 nan 8.210 nan 0.000 0.407 390 A N 0.832 123.623 122.820 -0.048 0.000 1.948 390 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 390 A C 2.130 179.651 177.584 -0.105 0.000 1.177 390 A CA 1.809 53.787 52.037 -0.100 0.000 0.636 390 A CB -0.420 18.525 19.000 -0.092 0.000 0.815 390 A HN 0.402 nan 8.150 nan 0.000 0.449 391 K N -1.673 118.682 120.400 -0.075 0.000 2.358 391 K HA 0.221 4.541 4.320 -0.001 0.000 0.197 391 K C -0.125 176.449 176.600 -0.044 0.000 1.025 391 K CA -0.181 56.066 56.287 -0.067 0.000 1.104 391 K CB 0.335 32.798 32.500 -0.060 0.000 0.855 391 K HN 0.370 nan 8.250 nan 0.000 0.531 392 R N 1.647 122.124 120.500 -0.037 0.000 3.416 392 R HA -0.193 4.147 4.340 -0.001 0.000 0.263 392 R C -0.646 175.657 176.300 0.005 0.000 1.053 392 R CA 0.581 56.669 56.100 -0.020 0.000 0.705 392 R CB -1.758 28.520 30.300 -0.036 0.000 1.124 392 R HN 0.391 nan 8.270 nan 0.000 0.444 393 E N -0.036 120.177 120.200 0.021 0.000 2.174 393 E HA 0.391 4.740 4.350 -0.001 0.000 0.282 393 E C 1.187 177.846 176.600 0.097 0.000 0.992 393 E CA 0.408 56.829 56.400 0.035 0.000 0.803 393 E CB 0.957 30.657 29.700 -0.001 0.000 1.090 393 E HN 0.341 nan 8.360 nan 0.000 0.396 394 G N 4.131 112.997 108.800 0.110 0.000 2.591 394 G HA2 -0.407 3.552 3.960 -0.001 0.000 0.298 394 G HA3 -0.407 3.552 3.960 -0.001 0.000 0.298 394 G C 0.455 175.499 174.900 0.239 0.000 1.195 394 G CA 0.446 45.660 45.100 0.188 0.000 0.989 394 G HN 0.667 nan 8.290 nan 0.000 0.551 395 F N 3.274 123.371 119.950 0.246 0.000 2.451 395 F HA 0.223 4.749 4.527 -0.001 0.000 0.299 395 F C 2.676 178.621 175.800 0.242 0.000 1.101 395 F CA 2.009 60.172 58.000 0.271 0.000 1.436 395 F CB -0.402 38.836 39.000 0.398 0.000 1.074 395 F HN 0.533 nan 8.300 nan 0.000 0.553 396 G N -0.608 108.399 108.800 0.344 0.000 2.479 396 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.220 396 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.220 396 G C 1.310 176.255 174.900 0.074 0.000 1.115 396 G CA 1.108 46.346 45.100 0.230 0.000 0.757 396 G HN 0.386 nan 8.290 nan 0.000 0.560 397 D N 0.064 120.473 120.400 0.014 0.000 2.183 397 D HA 0.001 4.640 4.640 -0.001 0.000 0.203 397 D C 2.444 178.691 176.300 -0.089 0.000 0.969 397 D CA 0.816 54.793 54.000 -0.039 0.000 0.842 397 D CB -0.045 40.733 40.800 -0.037 0.000 0.957 397 D HN 0.251 nan 8.370 nan 0.000 0.484 398 K N -0.358 119.924 120.400 -0.197 0.000 2.116 398 K HA 0.025 4.344 4.320 -0.001 0.000 0.203 398 K C 2.184 178.715 176.600 -0.115 0.000 1.052 398 K CA 0.503 56.639 56.287 -0.251 0.000 0.952 398 K CB 0.035 32.183 32.500 -0.586 0.000 0.729 398 K HN 0.229 nan 8.250 nan 0.000 0.446 399 L N 0.564 121.756 121.223 -0.052 0.000 2.141 399 L HA -0.085 4.254 4.340 -0.001 0.000 0.209 399 L C 2.378 179.368 176.870 0.200 0.000 1.094 399 L CA 0.672 55.572 54.840 0.100 0.000 0.763 399 L CB -0.487 41.681 42.059 0.181 0.000 0.908 399 L HN 0.140 nan 8.230 nan 0.000 0.437 400 A N -0.513 122.354 122.820 0.078 0.000 2.225 400 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 400 A C 2.007 179.593 177.584 0.003 0.000 1.164 400 A CA 1.144 53.150 52.037 -0.052 0.000 0.710 400 A CB -0.255 18.671 19.000 -0.122 0.000 0.780 400 A HN 0.324 nan 8.150 nan 0.000 0.473 401 E N -0.773 119.488 120.200 0.101 0.000 2.385 401 E HA 0.275 4.625 4.350 -0.001 0.000 0.194 401 E C 1.084 177.818 176.600 0.223 0.000 1.013 401 E CA 0.796 57.262 56.400 0.110 0.000 0.866 401 E CB -0.186 29.543 29.700 0.048 0.000 0.832 401 E HN 0.750 nan 8.360 nan 0.000 0.500 402 G N 0.787 109.795 108.800 0.346 0.000 2.662 402 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.686 402 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.686 402 G C 0.607 175.569 174.900 0.105 0.000 1.271 402 G CA 0.072 45.321 45.100 0.248 0.000 0.816 402 G HN 0.050 nan 8.290 nan 0.000 0.608 403 S N -0.510 115.208 115.700 0.029 0.000 2.368 403 S HA -0.242 4.228 4.470 -0.001 0.000 0.226 403 S C 1.975 176.616 174.600 0.069 0.000 1.044 403 S CA 2.734 60.952 58.200 0.030 0.000 1.062 403 S CB -0.489 62.726 63.200 0.026 0.000 0.931 403 S HN 1.177 nan 8.310 nan 0.000 0.440 404 Y N 1.943 122.256 120.300 0.022 0.000 2.070 404 Y HA -0.085 4.464 4.550 -0.001 0.000 0.280 404 Y C 2.571 178.490 175.900 0.032 0.000 1.148 404 Y CA 2.198 60.315 58.100 0.028 0.000 1.125 404 Y CB -0.468 38.008 38.460 0.026 0.000 0.975 404 Y HN 0.236 nan 8.280 nan 0.000 0.492 405 R N -0.558 119.998 120.500 0.092 0.000 2.105 405 R HA -0.186 4.154 4.340 -0.001 0.000 0.239 405 R C 2.151 178.429 176.300 -0.036 0.000 1.135 405 R CA 1.532 57.642 56.100 0.018 0.000 0.967 405 R CB -0.697 29.649 30.300 0.077 0.000 0.861 405 R HN 0.366 nan 8.270 nan 0.000 0.442 406 L N 0.599 121.826 121.223 0.006 0.000 2.017 406 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 406 L C 2.268 179.201 176.870 0.105 0.000 1.073 406 L CA 2.055 56.928 54.840 0.055 0.000 0.745 406 L CB -0.592 41.497 42.059 0.050 0.000 0.894 406 L HN 0.133 nan 8.230 nan 0.000 0.432 407 A N -1.028 121.787 122.820 -0.007 0.000 1.898 407 A HA -0.245 4.075 4.320 -0.001 0.000 0.216 407 A C 2.324 179.868 177.584 -0.068 0.000 1.181 407 A CA 1.663 53.693 52.037 -0.013 0.000 0.620 407 A CB -0.750 18.198 19.000 -0.087 0.000 0.819 407 A HN 0.621 nan 8.150 nan 0.000 0.442 408 E N 0.523 120.573 120.200 -0.250 0.000 2.110 408 E HA -0.190 4.160 4.350 -0.001 0.000 0.193 408 E C 2.071 178.585 176.600 -0.143 0.000 0.988 408 E CA 1.545 57.784 56.400 -0.268 0.000 0.804 408 E CB -0.142 29.330 29.700 -0.380 0.000 0.745 408 E HN 0.714 nan 8.360 nan 0.000 0.458 409 S N -0.831 114.802 115.700 -0.111 0.000 2.500 409 S HA -0.144 4.325 4.470 -0.001 0.000 0.239 409 S C 1.194 175.626 174.600 -0.279 0.000 0.989 409 S CA 0.633 58.722 58.200 -0.184 0.000 0.951 409 S CB -0.314 62.754 63.200 -0.220 0.000 0.759 409 S HN 0.387 nan 8.310 nan 0.000 0.523 410 Y N 1.212 121.475 120.300 -0.062 0.000 2.507 410 Y HA 0.437 4.986 4.550 -0.001 0.000 0.254 410 Y C 1.759 177.615 175.900 -0.072 0.000 1.171 410 Y CA -0.246 57.845 58.100 -0.015 0.000 1.238 410 Y CB 0.326 38.811 38.460 0.042 0.000 1.148 410 Y HN 0.377 nan 8.280 nan 0.000 0.525 411 G N 0.279 109.028 108.800 -0.085 0.000 2.143 411 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.248 411 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.248 411 G C -0.096 174.421 174.900 -0.638 0.000 0.991 411 G CA 0.205 45.124 45.100 -0.302 0.000 0.689 411 G HN 0.544 nan 8.290 nan 0.000 0.522 412 H N -0.603 118.381 119.070 -0.144 0.000 2.511 412 H HA 0.186 4.741 4.556 -0.001 0.000 0.228 412 H C -1.831 173.417 175.328 -0.133 0.000 1.424 412 H CA -0.542 55.410 56.048 -0.159 0.000 1.321 412 H CB 1.464 31.067 29.762 -0.265 0.000 1.720 412 H HN 0.275 nan 8.280 nan 0.000 0.512 413 P HA -0.147 nan 4.420 nan 0.000 0.225 413 P C 1.349 178.635 177.300 -0.024 0.000 1.148 413 P CA 0.902 63.889 63.100 -0.189 0.000 0.779 413 P CB 0.413 31.950 31.700 -0.271 0.000 0.780 414 E N 0.780 120.993 120.200 0.021 0.000 2.347 414 E HA -0.093 4.257 4.350 -0.001 0.000 0.196 414 E C 1.689 178.309 176.600 0.034 0.000 1.008 414 E CA 0.600 57.026 56.400 0.042 0.000 0.852 414 E CB -0.998 28.729 29.700 0.044 0.000 0.783 414 E HN 0.338 nan 8.360 nan 0.000 0.505 415 L N 1.187 122.436 121.223 0.044 0.000 2.591 415 L HA 0.117 4.457 4.340 -0.001 0.000 0.228 415 L C 1.268 178.168 176.870 0.049 0.000 1.133 415 L CA -0.030 54.839 54.840 0.048 0.000 0.880 415 L CB 0.100 42.193 42.059 0.058 0.000 1.033 415 L HN -0.051 nan 8.230 nan 0.000 0.450 416 S N 1.347 117.075 115.700 0.047 0.000 2.399 416 S HA 0.274 4.743 4.470 -0.001 0.000 0.301 416 S C 0.495 175.153 174.600 0.097 0.000 1.093 416 S CA -0.678 57.570 58.200 0.079 0.000 1.077 416 S CB 0.348 63.607 63.200 0.098 0.000 0.980 416 S HN 0.061 nan 8.310 nan 0.000 0.494 417 M N 5.831 125.480 119.600 0.083 0.000 3.237 417 M HA 0.196 4.675 4.480 -0.001 0.000 0.266 417 M C 0.300 176.620 176.300 0.034 0.000 1.456 417 M CA -0.015 55.302 55.300 0.028 0.000 1.593 417 M CB -1.318 31.263 32.600 -0.033 0.000 1.129 417 M HN 0.739 nan 8.290 nan 0.000 0.547 418 T N -1.291 113.305 114.554 0.069 0.000 2.906 418 T HA 0.827 5.177 4.350 -0.001 0.000 0.295 418 T C -0.399 174.316 174.700 0.025 0.000 1.075 418 T CA -0.841 61.288 62.100 0.048 0.000 1.005 418 T CB 2.575 71.506 68.868 0.106 0.000 1.136 418 T HN 0.140 nan 8.240 nan 0.000 0.498 419 V N 2.313 122.225 119.914 -0.005 0.000 2.482 419 V HA 0.507 4.626 4.120 -0.001 0.000 0.295 419 V C -0.065 176.042 176.094 0.021 0.000 1.026 419 V CA -1.123 61.182 62.300 0.007 0.000 0.856 419 V CB 1.184 33.010 31.823 0.005 0.000 1.001 419 V HN 1.060 nan 8.190 nan 0.000 0.424 420 K N 3.825 124.233 120.400 0.013 0.000 3.117 420 K HA -0.229 4.090 4.320 -0.001 0.000 0.269 420 K C 0.596 177.197 176.600 0.000 0.000 1.098 420 K CA 0.755 57.086 56.287 0.074 0.000 0.785 420 K CB -1.153 31.481 32.500 0.223 0.000 1.242 420 K HN 0.890 nan 8.250 nan 0.000 0.491 421 K N -2.129 118.207 120.400 -0.107 0.000 3.472 421 K HA -0.227 4.093 4.320 -0.001 0.000 0.315 421 K C -0.097 176.521 176.600 0.030 0.000 1.320 421 K CA 1.327 57.572 56.287 -0.072 0.000 0.962 421 K CB -0.887 31.550 32.500 -0.105 0.000 1.251 421 K HN 0.293 nan 8.250 nan 0.000 0.443 422 L N 2.219 123.463 121.223 0.035 0.000 2.275 422 L HA 0.235 4.574 4.340 -0.001 0.000 0.288 422 L C -0.128 176.761 176.870 0.031 0.000 1.046 422 L CA -0.110 54.758 54.840 0.047 0.000 0.805 422 L CB 1.169 43.265 42.059 0.061 0.000 1.193 422 L HN -0.046 nan 8.230 nan 0.000 0.426 423 E N 4.492 124.711 120.200 0.032 0.000 2.366 423 E HA 0.199 4.549 4.350 -0.001 0.000 0.266 423 E C -0.542 176.094 176.600 0.061 0.000 1.015 423 E CA 0.309 56.737 56.400 0.046 0.000 0.906 423 E CB 0.322 30.033 29.700 0.018 0.000 0.979 423 E HN 0.490 nan 8.360 nan 0.000 0.443 424 L N 6.026 127.268 121.223 0.031 0.000 2.461 424 L HA 0.184 4.523 4.340 -0.001 0.000 0.272 424 L C -1.592 175.393 176.870 0.192 0.000 1.197 424 L CA -1.416 53.376 54.840 -0.081 0.000 0.836 424 L CB 0.087 41.929 42.059 -0.362 0.000 1.105 424 L HN 0.457 nan 8.230 nan 0.000 0.477 425 P HA 0.112 nan 4.420 nan 0.000 0.306 425 P C -0.530 176.305 177.300 -0.774 0.000 1.309 425 P CA -0.623 62.408 63.100 -0.116 0.000 0.759 425 P CB 0.712 32.380 31.700 -0.052 0.000 1.314 426 A N -0.420 121.577 122.820 -1.372 0.000 2.088 426 A HA 0.069 4.388 4.320 -0.001 0.000 0.218 426 A C -0.532 176.236 177.584 -1.359 0.000 1.420 426 A CA 0.535 51.311 52.037 -2.102 0.000 1.371 426 A CB -1.964 16.005 19.000 -1.718 0.000 0.788 426 A HN 0.420 nan 8.150 nan 0.000 0.575 427 Y N -1.210 118.923 120.300 -0.279 0.000 2.362 427 Y HA 0.271 4.820 4.550 -0.003 0.000 0.326 427 Y C -0.434 175.596 175.900 0.216 0.000 1.083 427 Y CA -1.613 56.502 58.100 0.026 0.000 1.073 427 Y CB 1.127 39.660 38.460 0.122 0.000 1.211 427 Y HN 0.226 nan 8.280 nan 0.000 0.433 428 D N 4.929 125.512 120.400 0.305 0.000 2.343 428 D HA 0.136 4.775 4.640 -0.001 0.000 0.255 428 D C -1.866 174.550 176.300 0.193 0.000 1.187 428 D CA -1.666 52.543 54.000 0.349 0.000 0.875 428 D CB 1.890 42.897 40.800 0.345 0.000 1.136 428 D HN 0.280 nan 8.370 nan 0.000 0.469 429 P HA -0.037 nan 4.420 nan 0.000 0.225 429 P C 0.973 178.285 177.300 0.019 0.000 1.148 429 P CA 0.732 63.793 63.100 -0.064 0.000 0.779 429 P CB 0.249 31.803 31.700 -0.244 0.000 0.780 430 R N -1.060 119.521 120.500 0.135 0.000 2.235 430 R HA 0.071 4.410 4.340 -0.001 0.000 0.213 430 R C 2.026 178.454 176.300 0.214 0.000 1.059 430 R CA 1.184 57.416 56.100 0.221 0.000 0.997 430 R CB -0.650 29.829 30.300 0.298 0.000 0.884 430 R HN 0.221 nan 8.270 nan 0.000 0.462 431 G N -0.710 108.149 108.800 0.097 0.000 3.277 431 G HA2 0.352 4.312 3.960 -0.001 0.000 0.243 431 G HA3 0.352 4.312 3.960 -0.001 0.000 0.243 431 G C -0.063 174.692 174.900 -0.242 0.000 1.107 431 G CA 0.254 45.342 45.100 -0.020 0.000 0.771 431 G HN 0.228 nan 8.290 nan 0.000 0.544 432 A N 0.281 122.970 122.820 -0.218 0.000 2.893 432 A HA 0.488 4.807 4.320 -0.001 0.000 0.298 432 A C 0.508 177.966 177.584 -0.210 0.000 1.227 432 A CA -0.359 51.507 52.037 -0.284 0.000 0.845 432 A CB 0.170 19.002 19.000 -0.279 0.000 1.430 432 A HN 0.130 nan 8.150 nan 0.000 0.493 433 E N 0.886 120.968 120.200 -0.198 0.000 2.153 433 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 433 E C 1.990 178.497 176.600 -0.155 0.000 0.988 433 E CA 1.262 57.593 56.400 -0.115 0.000 0.811 433 E CB 0.179 29.866 29.700 -0.022 0.000 0.746 433 E HN 0.785 nan 8.360 nan 0.000 0.466 434 G N 0.412 109.102 108.800 -0.183 0.000 2.422 434 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.218 434 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.218 434 G C 1.341 176.093 174.900 -0.247 0.000 1.140 434 G CA 0.871 45.854 45.100 -0.196 0.000 0.775 434 G HN 0.255 nan 8.290 nan 0.000 0.545 435 H N 0.802 119.621 119.070 -0.419 0.000 2.423 435 H HA 0.039 4.596 4.556 0.002 0.000 0.297 435 H C 2.629 177.536 175.328 -0.701 0.000 1.075 435 H CA 1.540 57.242 56.048 -0.577 0.000 1.342 435 H CB -0.440 28.945 29.762 -0.628 0.000 1.395 435 H HN 0.219 nan 8.280 nan 0.000 0.530 436 G N 0.569 109.078 108.800 -0.485 0.000 2.421 436 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 436 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 436 G C 1.813 176.538 174.900 -0.291 0.000 1.171 436 G CA 0.665 45.527 45.100 -0.398 0.000 0.775 436 G HN 0.450 nan 8.290 nan 0.000 0.543 437 L N 0.742 121.809 121.223 -0.260 0.000 2.079 437 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 437 L C 2.988 179.687 176.870 -0.285 0.000 1.081 437 L CA 1.461 56.148 54.840 -0.255 0.000 0.752 437 L CB -0.614 41.288 42.059 -0.262 0.000 0.896 437 L HN 0.353 nan 8.230 nan 0.000 0.433 438 G N -1.069 107.535 108.800 -0.326 0.000 2.446 438 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.217 438 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.217 438 G C 1.219 176.057 174.900 -0.104 0.000 1.168 438 G CA 0.674 45.619 45.100 -0.258 0.000 0.771 438 G HN 0.291 nan 8.290 nan 0.000 0.551 439 Y N 1.321 121.484 120.300 -0.228 0.000 2.165 439 Y HA -0.015 4.535 4.550 -0.000 0.000 0.286 439 Y C 3.125 178.977 175.900 -0.081 0.000 1.155 439 Y CA 0.291 58.298 58.100 -0.155 0.000 1.164 439 Y CB -1.023 37.311 38.460 -0.211 0.000 0.978 439 Y HN 0.277 nan 8.280 nan 0.000 0.513 440 A N -0.641 122.219 122.820 0.067 0.000 1.968 440 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 440 A C 2.201 179.805 177.584 0.033 0.000 1.169 440 A CA 2.107 54.162 52.037 0.030 0.000 0.638 440 A CB -0.946 18.043 19.000 -0.019 0.000 0.812 440 A HN 0.495 nan 8.150 nan 0.000 0.446 441 T N -3.265 111.290 114.554 0.001 0.000 3.014 441 T HA 0.081 4.431 4.350 -0.001 0.000 0.250 441 T C 0.729 175.619 174.700 0.315 0.000 1.060 441 T CA 0.025 62.185 62.100 0.101 0.000 1.040 441 T CB -0.471 68.269 68.868 -0.212 0.000 0.971 441 T HN 0.255 nan 8.240 nan 0.000 0.497 442 N N 2.843 121.709 118.700 0.276 0.000 2.359 442 N HA -0.009 4.730 4.740 -0.001 0.000 0.261 442 N C 0.621 176.224 175.510 0.155 0.000 1.267 442 N CA 0.126 53.394 53.050 0.364 0.000 0.864 442 N CB 0.315 38.960 38.487 0.263 0.000 1.063 442 N HN 0.179 nan 8.380 nan 0.000 0.474 443 N N 2.569 121.228 118.700 -0.069 0.000 2.364 443 N HA -0.176 4.564 4.740 -0.001 0.000 0.183 443 N C 1.338 176.781 175.510 -0.111 0.000 1.022 443 N CA 0.763 53.660 53.050 -0.256 0.000 0.883 443 N CB -0.058 38.062 38.487 -0.612 0.000 0.965 443 N HN 0.688 nan 8.380 nan 0.000 0.438 444 R N 0.105 120.592 120.500 -0.022 0.000 2.312 444 R HA 0.205 4.545 4.340 -0.001 0.000 0.205 444 R C 0.504 176.860 176.300 0.093 0.000 0.904 444 R CA 0.755 56.878 56.100 0.038 0.000 1.052 444 R CB 0.323 30.641 30.300 0.031 0.000 1.014 444 R HN 0.058 nan 8.270 nan 0.000 0.503 445 G N -0.507 108.349 108.800 0.093 0.000 2.318 445 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.367 445 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.367 445 G C -0.430 174.524 174.900 0.089 0.000 1.260 445 G CA -0.635 44.524 45.100 0.099 0.000 1.055 445 G HN 0.243 nan 8.290 nan 0.000 0.484 446 G N -0.357 108.468 108.800 0.042 0.000 2.789 446 G HA2 0.518 4.477 3.960 -0.001 0.000 0.281 446 G HA3 0.518 4.477 3.960 -0.001 0.000 0.281 446 G C 0.350 175.244 174.900 -0.010 0.000 0.708 446 G CA 1.191 46.264 45.100 -0.044 0.000 2.067 446 G HN 1.646 nan 8.290 nan 0.000 0.554 447 C N 3.990 123.384 119.300 0.157 0.000 2.634 447 C HA 0.699 5.158 4.460 -0.001 0.000 0.313 447 C C 1.377 176.618 174.990 0.419 0.000 1.198 447 C CA -0.820 58.360 59.018 0.269 0.000 1.605 447 C CB 1.311 29.163 27.740 0.187 0.000 2.196 447 C HN 0.829 nan 8.230 nan 0.000 0.486 448 H N 3.861 123.174 119.070 0.405 0.000 2.476 448 H HA 0.067 4.622 4.556 -0.001 0.000 0.292 448 H C 1.425 177.031 175.328 0.465 0.000 1.019 448 H CA 1.715 58.066 56.048 0.505 0.000 1.330 448 H CB -0.551 29.680 29.762 0.782 0.000 1.451 448 H HN 0.630 nan 8.280 nan 0.000 0.535 449 I N 0.383 120.616 120.570 -0.561 0.000 3.001 449 I HA -0.004 4.166 4.170 -0.001 0.000 0.268 449 I C 1.322 177.452 176.117 0.022 0.000 1.267 449 I CA 0.566 61.726 61.300 -0.233 0.000 1.472 449 I CB -0.326 37.474 38.000 -0.334 0.000 1.089 449 I HN -0.122 nan 8.210 nan 0.000 0.468 450 K N 2.146 122.598 120.400 0.086 0.000 2.487 450 K HA 0.116 4.436 4.320 -0.001 0.000 0.192 450 K C -0.281 176.460 176.600 0.235 0.000 1.027 450 K CA 0.335 56.731 56.287 0.181 0.000 1.054 450 K CB -0.883 31.762 32.500 0.242 0.000 0.824 450 K HN 0.753 nan 8.250 nan 0.000 0.510 451 N N -1.611 117.217 118.700 0.214 0.000 2.926 451 N HA -0.075 4.665 4.740 -0.001 0.000 0.201 451 N C -1.180 174.408 175.510 0.131 0.000 1.419 451 N CA -0.542 52.613 53.050 0.175 0.000 0.838 451 N CB -1.063 37.461 38.487 0.063 0.000 1.534 451 N HN -0.126 nan 8.380 nan 0.000 0.569 452 Y N 1.793 122.106 120.300 0.021 0.000 2.619 452 Y HA 0.120 4.668 4.550 -0.003 0.000 0.339 452 Y C 0.973 176.561 175.900 -0.519 0.000 1.224 452 Y CA -0.267 57.768 58.100 -0.108 0.000 1.946 452 Y CB 0.139 38.608 38.460 0.015 0.000 1.957 452 Y HN 0.421 nan 8.280 nan 0.000 0.421 453 M N 2.419 121.676 119.600 -0.572 0.000 2.700 453 M HA -0.156 4.324 4.480 -0.001 0.000 0.249 453 M C 1.481 177.250 176.300 -0.884 0.000 1.082 453 M CA 0.616 55.470 55.300 -0.743 0.000 1.077 453 M CB -0.473 31.883 32.600 -0.407 0.000 1.477 453 M HN 0.541 nan 8.290 nan 0.000 0.529 454 I N -1.082 118.691 120.570 -1.330 0.000 2.676 454 I HA -0.149 4.021 4.170 -0.001 0.000 0.259 454 I C 2.259 177.919 176.117 -0.761 0.000 1.194 454 I CA 0.701 61.273 61.300 -1.214 0.000 1.473 454 I CB -1.098 35.896 38.000 -1.677 0.000 1.096 454 I HN 0.203 nan 8.210 nan 0.000 0.443 455 S N 1.372 116.647 115.700 -0.709 0.000 2.343 455 S HA -0.079 4.391 4.470 -0.001 0.000 0.219 455 S C -0.219 174.289 174.600 -0.152 0.000 1.033 455 S CA 1.685 59.778 58.200 -0.180 0.000 1.014 455 S CB -0.936 62.287 63.200 0.038 0.000 0.915 455 S HN 0.271 nan 8.310 nan 0.000 0.435 456 P HA -0.021 nan 4.420 nan 0.000 0.214 456 P C 1.148 178.302 177.300 -0.243 0.000 1.162 456 P CA 1.057 63.992 63.100 -0.275 0.000 0.874 456 P CB -0.058 31.420 31.700 -0.369 0.000 0.784 457 E N -1.035 118.977 120.200 -0.313 0.000 2.153 457 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 457 E C 1.547 178.007 176.600 -0.232 0.000 0.988 457 E CA 0.960 57.194 56.400 -0.277 0.000 0.811 457 E CB -0.194 29.302 29.700 -0.341 0.000 0.746 457 E HN 0.229 nan 8.360 nan 0.000 0.466 458 I N -0.619 119.807 120.570 -0.241 0.000 3.971 458 I HA -0.010 4.159 4.170 -0.001 0.000 0.303 458 I C 2.026 178.094 176.117 -0.082 0.000 1.233 458 I CA 0.463 61.661 61.300 -0.169 0.000 1.346 458 I CB -0.421 37.457 38.000 -0.204 0.000 1.273 458 I HN 0.066 nan 8.210 nan 0.000 0.448 459 L N 0.786 121.985 121.223 -0.039 0.000 2.249 459 L HA 0.248 4.587 4.340 -0.001 0.000 0.207 459 L C 1.458 178.440 176.870 0.187 0.000 1.090 459 L CA 1.082 55.990 54.840 0.113 0.000 0.802 459 L CB -0.324 41.875 42.059 0.232 0.000 0.947 459 L HN 0.485 nan 8.230 nan 0.000 0.453 460 G N -0.896 107.970 108.800 0.110 0.000 2.131 460 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.201 460 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.201 460 G C -0.433 174.440 174.900 -0.045 0.000 1.000 460 G CA -0.604 44.508 45.100 0.019 0.000 0.680 460 G HN 0.202 nan 8.290 nan 0.000 0.514 461 Y N -0.930 119.400 120.300 0.050 0.000 2.350 461 Y HA 0.492 5.040 4.550 -0.003 0.000 0.338 461 Y C -1.461 174.457 175.900 0.031 0.000 0.961 461 Y CA -2.190 55.961 58.100 0.085 0.000 1.100 461 Y CB 2.271 40.835 38.460 0.174 0.000 1.179 461 Y HN -0.034 nan 8.280 nan 0.000 0.454 462 P HA -0.106 nan 4.420 nan 0.000 0.220 462 P C -1.193 176.153 177.300 0.077 0.000 1.148 462 P CA 1.538 64.689 63.100 0.086 0.000 0.803 462 P CB 0.193 31.935 31.700 0.070 0.000 0.782 463 Y N -4.974 115.336 120.300 0.017 0.000 2.677 463 Y HA 0.656 5.203 4.550 -0.004 0.000 0.334 463 Y C -0.504 175.380 175.900 -0.027 0.000 1.196 463 Y CA -2.491 55.584 58.100 -0.042 0.000 1.059 463 Y CB 0.307 38.746 38.460 -0.035 0.000 1.315 463 Y HN -0.485 nan 8.280 nan 0.000 0.455 464 K N 1.826 122.310 120.400 0.139 0.000 2.401 464 K HA 0.456 4.776 4.320 -0.001 0.000 0.278 464 K C -1.107 175.550 176.600 0.094 0.000 1.018 464 K CA 0.326 56.645 56.287 0.052 0.000 0.981 464 K CB 0.271 32.791 32.500 0.033 0.000 0.933 464 K HN 0.824 nan 8.250 nan 0.000 0.477 465 M N 2.160 121.750 119.600 -0.017 0.000 2.572 465 M HA 0.218 4.698 4.480 -0.001 0.000 0.299 465 M C -0.778 175.486 176.300 -0.059 0.000 1.205 465 M CA -1.083 54.209 55.300 -0.012 0.000 0.876 465 M CB 1.905 34.461 32.600 -0.074 0.000 1.728 465 M HN 0.606 nan 8.290 nan 0.000 0.458 466 D N 3.541 123.915 120.400 -0.042 0.000 2.390 466 D HA 0.113 4.753 4.640 -0.001 0.000 0.249 466 D C -1.658 174.557 176.300 -0.143 0.000 1.144 466 D CA -1.249 52.713 54.000 -0.064 0.000 0.880 466 D CB 1.396 42.188 40.800 -0.014 0.000 1.182 466 D HN 0.277 nan 8.370 nan 0.000 0.451 467 P HA -0.101 nan 4.420 nan 0.000 0.226 467 P C 0.365 177.348 177.300 -0.529 0.000 1.153 467 P CA 0.887 63.737 63.100 -0.416 0.000 0.777 467 P CB 0.300 31.683 31.700 -0.527 0.000 0.794 468 H N -0.525 118.480 119.070 -0.107 0.000 2.488 468 H HA 0.236 4.792 4.556 -0.001 0.000 0.294 468 H C -0.246 175.063 175.328 -0.032 0.000 1.088 468 H CA -0.443 55.558 56.048 -0.080 0.000 1.086 468 H CB -0.044 29.659 29.762 -0.099 0.000 1.569 468 H HN 0.170 nan 8.280 nan 0.000 0.548 469 D N 1.418 121.826 120.400 0.013 0.000 2.280 469 D HA 0.115 4.755 4.640 -0.001 0.000 0.236 469 D C 0.747 177.045 176.300 -0.003 0.000 1.082 469 D CA -0.730 53.279 54.000 0.015 0.000 0.834 469 D CB 1.410 42.207 40.800 -0.004 0.000 1.100 469 D HN 0.049 nan 8.370 nan 0.000 0.486 470 V N 2.041 121.963 119.914 0.013 0.000 2.887 470 V HA 0.361 4.480 4.120 -0.001 0.000 0.370 470 V C 0.402 176.495 176.094 -0.001 0.000 1.322 470 V CA -0.306 61.994 62.300 -0.000 0.000 1.267 470 V CB -0.847 30.983 31.823 0.012 0.000 1.344 470 V HN 0.450 nan 8.190 nan 0.000 0.573 471 S N -0.914 114.786 115.700 -0.001 0.000 2.681 471 S HA 0.365 4.834 4.470 -0.001 0.000 0.270 471 S C 0.688 175.287 174.600 -0.003 0.000 1.209 471 S CA -0.068 58.133 58.200 0.002 0.000 0.988 471 S CB 1.327 64.531 63.200 0.007 0.000 1.006 471 S HN 0.328 nan 8.310 nan 0.000 0.558 472 D N 0.702 121.101 120.400 -0.002 0.000 2.182 472 D HA -0.088 4.551 4.640 -0.001 0.000 0.201 472 D C 1.165 177.463 176.300 -0.004 0.000 0.986 472 D CA 1.164 55.160 54.000 -0.007 0.000 0.847 472 D CB -0.367 40.427 40.800 -0.009 0.000 0.942 472 D HN 0.556 nan 8.370 nan 0.000 0.467 473 D N 0.110 120.513 120.400 0.005 0.000 2.178 473 D HA -0.131 4.509 4.640 -0.001 0.000 0.202 473 D C 1.981 178.289 176.300 0.014 0.000 0.974 473 D CA 0.803 54.815 54.000 0.019 0.000 0.841 473 D CB 0.052 40.873 40.800 0.036 0.000 0.953 473 D HN 0.118 nan 8.370 nan 0.000 0.478 474 K N 1.030 121.427 120.400 -0.004 0.000 2.062 474 K HA 0.028 4.348 4.320 -0.001 0.000 0.205 474 K C 2.010 178.589 176.600 -0.035 0.000 1.051 474 K CA 0.643 56.912 56.287 -0.031 0.000 0.941 474 K CB -0.388 32.084 32.500 -0.046 0.000 0.719 474 K HN 0.098 nan 8.250 nan 0.000 0.440 475 I N 0.590 121.150 120.570 -0.017 0.000 2.315 475 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 475 I C 1.974 178.095 176.117 0.005 0.000 1.117 475 I CA 1.256 62.561 61.300 0.008 0.000 1.404 475 I CB -0.216 37.800 38.000 0.027 0.000 1.071 475 I HN 0.152 nan 8.210 nan 0.000 0.419 476 K N 0.105 120.498 120.400 -0.012 0.000 2.097 476 K HA -0.188 4.132 4.320 -0.001 0.000 0.205 476 K C 2.087 178.686 176.600 -0.002 0.000 1.050 476 K CA 1.352 57.627 56.287 -0.021 0.000 0.938 476 K CB -0.163 32.329 32.500 -0.013 0.000 0.718 476 K HN 0.117 nan 8.250 nan 0.000 0.442 477 M N 1.062 120.670 119.600 0.013 0.000 2.175 477 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 477 M C 1.832 178.180 176.300 0.079 0.000 1.063 477 M CA 1.252 56.581 55.300 0.049 0.000 1.119 477 M CB -0.258 32.338 32.600 -0.008 0.000 1.377 477 M HN 0.116 nan 8.290 nan 0.000 0.415 478 L N 0.143 121.365 121.223 -0.001 0.000 1.994 478 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 478 L C 2.156 179.015 176.870 -0.019 0.000 1.071 478 L CA 1.951 56.777 54.840 -0.024 0.000 0.745 478 L CB -0.841 41.184 42.059 -0.056 0.000 0.892 478 L HN 0.419 nan 8.230 nan 0.000 0.431 479 I N -0.901 119.648 120.570 -0.035 0.000 2.208 479 I HA -0.307 3.863 4.170 -0.001 0.000 0.245 479 I C 2.418 178.447 176.117 -0.147 0.000 1.097 479 I CA 1.365 62.576 61.300 -0.149 0.000 1.363 479 I CB -0.464 37.422 38.000 -0.190 0.000 1.051 479 I HN 0.381 nan 8.210 nan 0.000 0.413 480 L N 0.472 121.662 121.223 -0.056 0.000 2.017 480 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 480 L C 2.266 179.088 176.870 -0.080 0.000 1.073 480 L CA 1.958 56.764 54.840 -0.056 0.000 0.745 480 L CB -0.802 41.246 42.059 -0.018 0.000 0.894 480 L HN 0.016 nan 8.230 nan 0.000 0.432 481 F N -0.009 119.870 119.950 -0.119 0.000 2.171 481 F HA -0.237 4.288 4.527 -0.002 0.000 0.300 481 F C 2.599 178.320 175.800 -0.133 0.000 1.090 481 F CA 1.816 59.756 58.000 -0.101 0.000 1.293 481 F CB -0.355 38.592 39.000 -0.087 0.000 1.013 481 F HN 0.250 nan 8.300 nan 0.000 0.486 482 Q N -0.309 119.428 119.800 -0.105 0.000 2.079 482 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 482 Q C 1.737 177.621 176.000 -0.193 0.000 0.974 482 Q CA 1.583 57.161 55.803 -0.376 0.000 0.840 482 Q CB -0.229 27.808 28.738 -1.169 0.000 0.898 482 Q HN 0.339 nan 8.270 nan 0.000 0.430 483 D N 0.645 120.941 120.400 -0.173 0.000 2.103 483 D HA -0.126 4.514 4.640 -0.001 0.000 0.199 483 D C 1.853 178.151 176.300 -0.004 0.000 0.978 483 D CA 0.621 54.606 54.000 -0.025 0.000 0.829 483 D CB -0.242 40.533 40.800 -0.041 0.000 0.981 483 D HN 0.067 nan 8.370 nan 0.000 0.464 484 L N 0.919 122.095 121.223 -0.078 0.000 2.012 484 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 484 L C 2.104 178.896 176.870 -0.129 0.000 1.073 484 L CA 1.810 56.576 54.840 -0.124 0.000 0.748 484 L CB -1.003 40.912 42.059 -0.240 0.000 0.891 484 L HN -0.045 nan 8.230 nan 0.000 0.431 485 T N -0.118 114.385 114.554 -0.084 0.000 2.833 485 T HA -0.141 4.209 4.350 -0.001 0.000 0.269 485 T C 1.885 176.597 174.700 0.020 0.000 1.054 485 T CA 1.206 63.288 62.100 -0.031 0.000 1.135 485 T CB -0.498 68.411 68.868 0.069 0.000 0.869 485 T HN 0.545 nan 8.240 nan 0.000 0.466 486 A N 1.031 123.909 122.820 0.098 0.000 1.930 486 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 486 A C 2.199 179.832 177.584 0.081 0.000 1.175 486 A CA 1.101 53.230 52.037 0.153 0.000 0.627 486 A CB -0.640 18.521 19.000 0.269 0.000 0.815 486 A HN 0.421 nan 8.150 nan 0.000 0.443 487 L N 0.055 121.295 121.223 0.028 0.000 1.988 487 L HA -0.060 4.280 4.340 -0.001 0.000 0.207 487 L C 2.246 179.053 176.870 -0.105 0.000 1.071 487 L CA 1.780 56.617 54.840 -0.007 0.000 0.744 487 L CB -0.479 41.564 42.059 -0.025 0.000 0.893 487 L HN 0.415 nan 8.230 nan 0.000 0.433 488 I N -0.077 120.359 120.570 -0.224 0.000 2.194 488 I HA -0.331 3.839 4.170 -0.001 0.000 0.246 488 I C 2.069 178.093 176.117 -0.155 0.000 1.093 488 I CA 1.537 62.652 61.300 -0.308 0.000 1.355 488 I CB -0.628 37.134 38.000 -0.397 0.000 1.046 488 I HN 0.338 nan 8.210 nan 0.000 0.413 489 D N 0.507 120.855 120.400 -0.087 0.000 2.117 489 D HA -0.130 4.510 4.640 -0.001 0.000 0.197 489 D C 2.407 178.697 176.300 -0.016 0.000 0.987 489 D CA 1.345 55.317 54.000 -0.046 0.000 0.829 489 D CB -0.101 40.693 40.800 -0.010 0.000 0.961 489 D HN 0.175 nan 8.370 nan 0.000 0.460 490 S N 0.032 115.739 115.700 0.011 0.000 2.406 490 S HA -0.043 4.427 4.470 -0.001 0.000 0.228 490 S C 2.007 176.623 174.600 0.026 0.000 1.020 490 S CA 0.820 59.049 58.200 0.047 0.000 0.965 490 S CB -0.018 63.243 63.200 0.102 0.000 0.798 490 S HN 0.347 nan 8.310 nan 0.000 0.488 491 A N 0.685 123.491 122.820 -0.022 0.000 1.969 491 A HA 0.373 4.693 4.320 -0.001 0.000 0.218 491 A C 1.833 179.405 177.584 -0.020 0.000 1.169 491 A CA 1.342 53.353 52.037 -0.044 0.000 0.635 491 A CB -0.808 18.132 19.000 -0.100 0.000 0.810 491 A HN 1.004 nan 8.150 nan 0.000 0.445 492 G N -2.775 106.015 108.800 -0.016 0.000 2.138 492 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.193 492 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.193 492 G C -0.219 174.685 174.900 0.007 0.000 0.998 492 G CA 0.125 45.230 45.100 0.009 0.000 0.668 492 G HN 0.323 nan 8.290 nan 0.000 0.516 493 L N 0.103 121.312 121.223 -0.024 0.000 2.365 493 L HA 0.784 5.124 4.340 -0.001 0.000 0.267 493 L C 1.174 178.010 176.870 -0.057 0.000 1.033 493 L CA -1.324 53.510 54.840 -0.011 0.000 0.802 493 L CB 1.221 43.287 42.059 0.012 0.000 1.267 493 L HN 0.349 nan 8.230 nan 0.000 0.457 494 C N 1.052 120.325 119.300 -0.045 0.000 2.452 494 C HA 0.258 4.718 4.460 -0.001 0.000 0.379 494 C C 1.888 176.811 174.990 -0.113 0.000 1.275 494 C CA -0.666 58.278 59.018 -0.123 0.000 2.056 494 C CB -0.199 27.474 27.740 -0.113 0.000 2.506 494 C HN 0.771 nan 8.230 nan 0.000 0.560 495 L N 5.031 126.128 121.223 -0.209 0.000 2.187 495 L HA 0.025 4.365 4.340 -0.001 0.000 0.213 495 L C 1.649 178.560 176.870 0.069 0.000 1.100 495 L CA 2.059 56.830 54.840 -0.114 0.000 0.765 495 L CB -0.644 41.331 42.059 -0.141 0.000 0.904 495 L HN 0.788 nan 8.230 nan 0.000 0.437 496 F N -0.300 119.658 119.950 0.012 0.000 2.583 496 F HA -0.085 4.444 4.527 0.004 0.000 0.297 496 F C 2.497 178.360 175.800 0.106 0.000 1.131 496 F CA 0.967 59.030 58.000 0.105 0.000 1.467 496 F CB -2.208 36.908 39.000 0.194 0.000 1.097 496 F HN 0.313 nan 8.300 nan 0.000 0.586 497 T N -3.514 111.180 114.554 0.234 0.000 3.051 497 T HA -0.133 4.216 4.350 -0.001 0.000 0.269 497 T C 1.824 176.615 174.700 0.151 0.000 1.127 497 T CA 1.256 63.478 62.100 0.203 0.000 1.107 497 T CB -1.038 67.972 68.868 0.237 0.000 0.898 497 T HN 0.359 nan 8.240 nan 0.000 0.517 498 T N -0.964 113.618 114.554 0.047 0.000 3.051 498 T HA 0.079 4.429 4.350 -0.001 0.000 0.269 498 T C 0.400 174.971 174.700 -0.215 0.000 1.127 498 T CA 0.008 62.063 62.100 -0.075 0.000 1.107 498 T CB -0.861 67.901 68.868 -0.177 0.000 0.898 498 T HN 0.348 nan 8.240 nan 0.000 0.517 499 F N 2.269 122.225 119.950 0.011 0.000 2.606 499 F HA 0.617 5.145 4.527 0.002 0.000 0.347 499 F C 1.549 177.377 175.800 0.047 0.000 1.207 499 F CA -0.641 57.267 58.000 -0.153 0.000 1.306 499 F CB 0.077 38.895 39.000 -0.303 0.000 1.657 499 F HN 0.349 nan 8.300 nan 0.000 0.606 500 G N -0.126 108.817 108.800 0.239 0.000 3.505 500 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.210 500 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.210 500 G C -0.192 174.743 174.900 0.058 0.000 1.047 500 G CA -0.646 44.554 45.100 0.167 0.000 0.884 500 G HN 0.170 nan 8.290 nan 0.000 0.434 501 L N 1.296 122.514 121.223 -0.007 0.000 2.334 501 L HA 0.783 5.123 4.340 -0.001 0.000 0.272 501 L C 0.807 177.574 176.870 -0.172 0.000 1.020 501 L CA -0.484 54.248 54.840 -0.181 0.000 0.812 501 L CB 1.737 43.552 42.059 -0.406 0.000 1.264 501 L HN 0.299 nan 8.230 nan 0.000 0.439 502 G N -0.404 108.254 108.800 -0.237 0.000 2.788 502 G HA2 0.526 4.486 3.960 -0.001 0.000 0.293 502 G HA3 0.526 4.486 3.960 -0.001 0.000 0.293 502 G C 0.574 175.411 174.900 -0.105 0.000 1.305 502 G CA 0.069 45.112 45.100 -0.094 0.000 1.005 502 G HN 0.713 nan 8.290 nan 0.000 0.496 503 A N -0.137 122.729 122.820 0.078 0.000 1.927 503 A HA -0.136 4.184 4.320 -0.001 0.000 0.220 503 A C 1.918 179.574 177.584 0.118 0.000 1.185 503 A CA 2.577 54.723 52.037 0.183 0.000 0.639 503 A CB -0.602 18.468 19.000 0.118 0.000 0.820 503 A HN 0.529 nan 8.150 nan 0.000 0.451 504 D N 0.133 120.557 120.400 0.040 0.000 2.144 504 D HA -0.120 4.520 4.640 -0.001 0.000 0.199 504 D C 1.498 177.785 176.300 -0.023 0.000 0.984 504 D CA 1.309 55.331 54.000 0.037 0.000 0.834 504 D CB -0.466 40.346 40.800 0.020 0.000 0.955 504 D HN 0.507 nan 8.370 nan 0.000 0.465 505 D N -0.248 120.060 120.400 -0.153 0.000 2.144 505 D HA -0.159 4.481 4.640 -0.001 0.000 0.199 505 D C 1.929 178.084 176.300 -0.241 0.000 0.984 505 D CA 0.814 54.668 54.000 -0.244 0.000 0.834 505 D CB -0.134 40.426 40.800 -0.399 0.000 0.955 505 D HN 0.329 nan 8.370 nan 0.000 0.465 506 Y N 1.178 121.456 120.300 -0.038 0.000 2.242 506 Y HA -0.075 4.474 4.550 -0.001 0.000 0.291 506 Y C 2.500 178.306 175.900 -0.157 0.000 1.137 506 Y CA 0.500 58.543 58.100 -0.095 0.000 1.181 506 Y CB -0.507 37.885 38.460 -0.113 0.000 0.989 506 Y HN -0.116 nan 8.280 nan 0.000 0.527 507 R N 0.744 121.280 120.500 0.059 0.000 2.073 507 R HA -0.183 4.157 4.340 -0.001 0.000 0.234 507 R C 1.465 177.834 176.300 0.115 0.000 1.134 507 R CA 2.098 58.269 56.100 0.118 0.000 0.952 507 R CB -0.383 30.103 30.300 0.309 0.000 0.850 507 R HN 0.248 nan 8.270 nan 0.000 0.433 508 D N 0.877 121.324 120.400 0.077 0.000 2.106 508 D HA -0.202 4.438 4.640 -0.001 0.000 0.191 508 D C 2.090 178.433 176.300 0.071 0.000 0.997 508 D CA 1.432 55.471 54.000 0.066 0.000 0.834 508 D CB -0.341 40.471 40.800 0.020 0.000 0.956 508 D HN 0.283 nan 8.370 nan 0.000 0.448 509 L N 0.138 121.395 121.223 0.057 0.000 2.027 509 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 509 L C 2.669 179.593 176.870 0.091 0.000 1.074 509 L CA 0.673 55.598 54.840 0.141 0.000 0.745 509 L CB -0.368 41.771 42.059 0.133 0.000 0.898 509 L HN 0.026 nan 8.230 nan 0.000 0.433 510 L N -0.500 120.688 121.223 -0.058 0.000 2.083 510 L HA -0.229 4.110 4.340 -0.001 0.000 0.209 510 L C 2.181 178.957 176.870 -0.157 0.000 1.083 510 L CA 1.566 56.282 54.840 -0.206 0.000 0.752 510 L CB -0.608 41.150 42.059 -0.501 0.000 0.899 510 L HN 0.380 nan 8.230 nan 0.000 0.433 511 N N -0.320 118.395 118.700 0.024 0.000 2.080 511 N HA -0.149 4.590 4.740 -0.001 0.000 0.189 511 N C 1.969 177.458 175.510 -0.035 0.000 1.036 511 N CA 1.003 54.093 53.050 0.066 0.000 0.846 511 N CB -0.156 38.443 38.487 0.187 0.000 1.015 511 N HN 0.283 nan 8.380 nan 0.000 0.423 512 A N 1.086 123.916 122.820 0.016 0.000 1.940 512 A HA -0.113 4.207 4.320 -0.001 0.000 0.219 512 A C 2.235 179.732 177.584 -0.145 0.000 1.176 512 A CA 1.956 54.007 52.037 0.024 0.000 0.631 512 A CB -0.743 18.373 19.000 0.193 0.000 0.814 512 A HN 0.399 nan 8.150 nan 0.000 0.446 513 A N -0.812 121.831 122.820 -0.294 0.000 1.903 513 A HA 0.210 4.530 4.320 -0.001 0.000 0.213 513 A C 2.073 179.366 177.584 -0.486 0.000 1.185 513 A CA 1.204 52.864 52.037 -0.629 0.000 0.628 513 A CB -0.389 18.122 19.000 -0.815 0.000 0.830 513 A HN 0.434 nan 8.150 nan 0.000 0.446 514 L N -1.390 119.534 121.223 -0.498 0.000 2.270 514 L HA 0.213 4.553 4.340 -0.001 0.000 0.210 514 L C 1.585 178.211 176.870 -0.406 0.000 1.104 514 L CA 0.634 55.090 54.840 -0.640 0.000 0.804 514 L CB -0.255 40.943 42.059 -1.436 0.000 0.937 514 L HN 0.558 nan 8.230 nan 0.000 0.450 515 G N -0.993 107.636 108.800 -0.284 0.000 2.204 515 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.244 515 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.244 515 G C -0.408 174.611 174.900 0.199 0.000 1.062 515 G CA -0.398 44.663 45.100 -0.066 0.000 0.798 515 G HN 0.100 nan 8.290 nan 0.000 0.496 516 W N -0.085 121.182 121.300 -0.056 0.000 2.594 516 W HA 0.677 5.337 4.660 -0.001 0.000 0.365 516 W C 0.496 177.012 176.519 -0.005 0.000 1.196 516 W CA -0.493 56.788 57.345 -0.107 0.000 1.258 516 W CB 0.704 29.909 29.460 -0.426 0.000 1.405 516 W HN 0.273 nan 8.180 nan 0.000 0.640 517 D N 0.271 120.869 120.400 0.330 0.000 2.945 517 D HA 0.108 4.747 4.640 -0.001 0.000 0.366 517 D C -0.580 175.945 176.300 0.376 0.000 1.352 517 D CA -0.207 53.961 54.000 0.281 0.000 0.810 517 D CB -0.680 40.234 40.800 0.189 0.000 1.170 517 D HN -0.191 nan 8.370 nan 0.000 0.461 518 F N 2.164 122.139 119.950 0.042 0.000 2.382 518 F HA 0.301 4.827 4.527 -0.001 0.000 0.331 518 F C 1.778 177.541 175.800 -0.062 0.000 1.121 518 F CA -0.974 56.932 58.000 -0.156 0.000 1.183 518 F CB 1.179 39.805 39.000 -0.624 0.000 1.207 518 F HN -0.092 nan 8.300 nan 0.000 0.555 519 T N -2.156 112.434 114.554 0.059 0.000 2.824 519 T HA 0.185 4.535 4.350 -0.001 0.000 0.277 519 T C 1.147 175.935 174.700 0.147 0.000 0.975 519 T CA -0.452 61.699 62.100 0.085 0.000 0.966 519 T CB 0.786 69.662 68.868 0.013 0.000 1.054 519 T HN 0.521 nan 8.240 nan 0.000 0.533 520 T N 0.755 115.415 114.554 0.176 0.000 2.833 520 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 520 T C 1.730 176.530 174.700 0.167 0.000 1.054 520 T CA 1.612 63.853 62.100 0.234 0.000 1.135 520 T CB -0.412 68.553 68.868 0.161 0.000 0.869 520 T HN 0.717 nan 8.240 nan 0.000 0.466 521 E N 1.235 121.479 120.200 0.072 0.000 2.153 521 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 521 E C 2.029 178.616 176.600 -0.022 0.000 0.988 521 E CA 0.861 57.273 56.400 0.020 0.000 0.811 521 E CB -0.183 29.508 29.700 -0.015 0.000 0.746 521 E HN 0.426 nan 8.360 nan 0.000 0.466 522 D N -0.572 119.774 120.400 -0.090 0.000 2.123 522 D HA -0.124 4.515 4.640 -0.001 0.000 0.200 522 D C 1.615 177.867 176.300 -0.079 0.000 0.976 522 D CA 0.930 54.781 54.000 -0.249 0.000 0.831 522 D CB -0.148 40.278 40.800 -0.623 0.000 0.974 522 D HN 0.238 nan 8.370 nan 0.000 0.469 523 Y N 1.217 121.630 120.300 0.188 0.000 2.200 523 Y HA -0.046 4.504 4.550 -0.000 0.000 0.290 523 Y C 2.504 178.476 175.900 0.121 0.000 1.137 523 Y CA 0.481 58.717 58.100 0.226 0.000 1.163 523 Y CB -0.633 37.967 38.460 0.234 0.000 0.988 523 Y HN -0.063 nan 8.280 nan 0.000 0.518 524 L N -0.121 121.238 121.223 0.227 0.000 2.191 524 L HA -0.232 4.107 4.340 -0.001 0.000 0.212 524 L C 2.358 179.276 176.870 0.080 0.000 1.103 524 L CA 1.532 56.446 54.840 0.123 0.000 0.769 524 L CB -0.412 41.693 42.059 0.076 0.000 0.908 524 L HN 0.161 nan 8.230 nan 0.000 0.438 525 K N 0.849 121.280 120.400 0.050 0.000 2.217 525 K HA -0.092 4.227 4.320 -0.001 0.000 0.202 525 K C 1.992 178.605 176.600 0.021 0.000 1.051 525 K CA 0.849 57.141 56.287 0.009 0.000 0.952 525 K CB 0.059 32.528 32.500 -0.051 0.000 0.736 525 K HN 0.200 nan 8.250 nan 0.000 0.453 526 I N 0.564 121.172 120.570 0.063 0.000 2.252 526 I HA -0.169 4.000 4.170 -0.001 0.000 0.245 526 I C 2.343 178.526 176.117 0.110 0.000 1.102 526 I CA 1.358 62.697 61.300 0.066 0.000 1.385 526 I CB -0.560 37.555 38.000 0.191 0.000 1.064 526 I HN 0.407 nan 8.210 nan 0.000 0.414 527 G N 0.162 109.046 108.800 0.141 0.000 2.418 527 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.217 527 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.217 527 G C 1.549 176.570 174.900 0.202 0.000 1.158 527 G CA 0.768 45.966 45.100 0.163 0.000 0.771 527 G HN 0.449 nan 8.290 nan 0.000 0.545 528 E N 0.196 120.485 120.200 0.147 0.000 2.150 528 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 528 E C 2.447 179.185 176.600 0.230 0.000 0.985 528 E CA 0.707 57.215 56.400 0.179 0.000 0.814 528 E CB -0.118 29.636 29.700 0.090 0.000 0.752 528 E HN 0.467 nan 8.360 nan 0.000 0.466 529 R N 0.461 121.039 120.500 0.130 0.000 2.075 529 R HA -0.105 4.235 4.340 -0.001 0.000 0.232 529 R C 2.290 178.718 176.300 0.213 0.000 1.126 529 R CA 1.371 57.514 56.100 0.072 0.000 0.963 529 R CB -0.200 29.987 30.300 -0.189 0.000 0.858 529 R HN 0.225 nan 8.270 nan 0.000 0.435 530 I N -0.275 120.459 120.570 0.273 0.000 2.252 530 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 530 I C 2.356 178.672 176.117 0.331 0.000 1.102 530 I CA 1.075 62.604 61.300 0.382 0.000 1.385 530 I CB -0.496 37.706 38.000 0.336 0.000 1.064 530 I HN 0.422 nan 8.210 nan 0.000 0.414 531 W N 2.376 123.797 121.300 0.201 0.000 2.335 531 W HA -0.224 4.436 4.660 0.000 0.000 0.311 531 W C 2.300 178.980 176.519 0.268 0.000 1.213 531 W CA 1.669 59.146 57.345 0.221 0.000 1.274 531 W CB -0.379 29.215 29.460 0.224 0.000 1.148 531 W HN 0.234 nan 8.180 nan 0.000 0.498 532 N N 0.418 119.394 118.700 0.461 0.000 2.188 532 N HA -0.143 4.596 4.740 -0.001 0.000 0.184 532 N C 1.854 177.469 175.510 0.176 0.000 1.018 532 N CA 1.623 54.889 53.050 0.359 0.000 0.858 532 N CB -0.481 38.245 38.487 0.398 0.000 0.989 532 N HN 0.080 nan 8.380 nan 0.000 0.426 533 A N 1.574 124.536 122.820 0.237 0.000 1.933 533 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 533 A C 2.029 179.647 177.584 0.057 0.000 1.175 533 A CA 1.303 53.472 52.037 0.219 0.000 0.628 533 A CB -0.385 18.874 19.000 0.432 0.000 0.814 533 A HN 0.327 nan 8.150 nan 0.000 0.444 534 E N -0.990 119.196 120.200 -0.024 0.000 2.072 534 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 534 E C 2.350 178.870 176.600 -0.134 0.000 0.985 534 E CA 0.628 56.946 56.400 -0.138 0.000 0.801 534 E CB -0.142 29.386 29.700 -0.287 0.000 0.750 534 E HN 0.271 nan 8.360 nan 0.000 0.452 535 R N 1.043 121.419 120.500 -0.206 0.000 2.073 535 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 535 R C 2.331 178.512 176.300 -0.199 0.000 1.134 535 R CA 0.969 56.918 56.100 -0.251 0.000 0.952 535 R CB -0.815 29.278 30.300 -0.344 0.000 0.850 535 R HN 0.199 nan 8.270 nan 0.000 0.433 536 L N 0.331 121.478 121.223 -0.128 0.000 2.042 536 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 536 L C 2.232 179.065 176.870 -0.061 0.000 1.076 536 L CA 1.690 56.474 54.840 -0.093 0.000 0.749 536 L CB -0.843 41.213 42.059 -0.004 0.000 0.893 536 L HN 0.162 nan 8.230 nan 0.000 0.432 537 F N 0.447 120.306 119.950 -0.152 0.000 2.095 537 F HA -0.263 4.264 4.527 -0.001 0.000 0.298 537 F C 2.204 177.945 175.800 -0.097 0.000 1.104 537 F CA 2.272 60.189 58.000 -0.137 0.000 1.232 537 F CB -0.586 38.324 39.000 -0.152 0.000 0.987 537 F HN 0.269 nan 8.300 nan 0.000 0.475 538 N N 0.352 119.131 118.700 0.132 0.000 2.069 538 N HA -0.206 4.533 4.740 -0.001 0.000 0.191 538 N C 1.970 177.413 175.510 -0.110 0.000 1.031 538 N CA 1.487 54.550 53.050 0.022 0.000 0.852 538 N CB -0.314 38.036 38.487 -0.228 0.000 1.018 538 N HN 0.310 nan 8.380 nan 0.000 0.423 539 L N 1.240 122.360 121.223 -0.173 0.000 2.079 539 L HA -0.180 4.159 4.340 -0.001 0.000 0.210 539 L C 2.140 178.915 176.870 -0.158 0.000 1.081 539 L CA 1.274 56.009 54.840 -0.175 0.000 0.752 539 L CB -0.223 41.710 42.059 -0.209 0.000 0.896 539 L HN 0.163 nan 8.230 nan 0.000 0.433 540 K N -0.307 119.969 120.400 -0.206 0.000 2.228 540 K HA -0.009 4.310 4.320 -0.001 0.000 0.202 540 K C 1.990 178.439 176.600 -0.252 0.000 1.051 540 K CA 0.977 57.121 56.287 -0.237 0.000 0.960 540 K CB -0.066 32.262 32.500 -0.287 0.000 0.743 540 K HN 0.244 nan 8.250 nan 0.000 0.458 541 A N 0.501 123.157 122.820 -0.273 0.000 2.206 541 A HA 0.122 4.441 4.320 -0.001 0.000 0.211 541 A C 1.349 178.924 177.584 -0.015 0.000 1.158 541 A CA 1.106 53.027 52.037 -0.194 0.000 0.761 541 A CB -0.176 18.742 19.000 -0.137 0.000 0.801 541 A HN 0.419 nan 8.150 nan 0.000 0.473 542 G N -1.611 107.202 108.800 0.022 0.000 2.175 542 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.182 542 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.182 542 G C 0.088 175.083 174.900 0.159 0.000 1.003 542 G CA -0.068 45.068 45.100 0.061 0.000 0.666 542 G HN 0.660 nan 8.290 nan 0.000 0.506 543 L N 1.570 122.897 121.223 0.174 0.000 2.499 543 L HA 0.469 4.809 4.340 -0.001 0.000 0.273 543 L C -0.249 176.610 176.870 -0.019 0.000 1.195 543 L CA 0.007 54.861 54.840 0.025 0.000 0.882 543 L CB 0.681 42.500 42.059 -0.399 0.000 1.133 543 L HN 0.166 nan 8.230 nan 0.000 0.483 544 D N 6.708 127.121 120.400 0.023 0.000 2.460 544 D HA 0.319 4.959 4.640 -0.001 0.000 0.232 544 D C -1.812 174.495 176.300 0.012 0.000 1.079 544 D CA -2.341 51.664 54.000 0.009 0.000 0.864 544 D CB 1.729 42.549 40.800 0.034 0.000 1.048 544 D HN 0.222 nan 8.370 nan 0.000 0.523 545 P HA -0.233 nan 4.420 nan 0.000 0.218 545 P C 1.030 178.405 177.300 0.125 0.000 1.154 545 P CA 1.999 65.131 63.100 0.054 0.000 0.872 545 P CB 0.288 31.980 31.700 -0.014 0.000 0.790 546 A N -0.191 122.688 122.820 0.098 0.000 1.877 546 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 546 A C 2.400 180.037 177.584 0.088 0.000 1.186 546 A CA 1.940 54.041 52.037 0.106 0.000 0.620 546 A CB -1.073 17.976 19.000 0.081 0.000 0.822 546 A HN 0.147 nan 8.150 nan 0.000 0.443 547 R N -0.837 119.705 120.500 0.070 0.000 2.080 547 R HA -0.076 4.263 4.340 -0.001 0.000 0.222 547 R C 0.926 177.265 176.300 0.066 0.000 1.107 547 R CA 1.584 57.723 56.100 0.064 0.000 0.980 547 R CB -0.288 30.045 30.300 0.056 0.000 0.879 547 R HN 0.370 nan 8.270 nan 0.000 0.439 548 D N 0.677 121.118 120.400 0.069 0.000 2.249 548 D HA -0.034 4.605 4.640 -0.001 0.000 0.205 548 D C -0.229 176.108 176.300 0.062 0.000 0.962 548 D CA 0.706 54.746 54.000 0.066 0.000 0.860 548 D CB 0.018 40.853 40.800 0.058 0.000 0.955 548 D HN 0.194 nan 8.370 nan 0.000 0.505 549 D N 1.466 121.920 120.400 0.089 0.000 2.563 549 D HA 0.165 4.805 4.640 -0.001 0.000 0.222 549 D C 0.394 176.746 176.300 0.087 0.000 1.145 549 D CA 0.176 54.240 54.000 0.107 0.000 1.001 549 D CB 0.323 41.247 40.800 0.207 0.000 1.049 549 D HN 0.100 nan 8.370 nan 0.000 0.515 550 T N -1.834 112.762 114.554 0.070 0.000 2.618 550 T HA 0.670 5.020 4.350 -0.001 0.000 0.293 550 T C -0.779 173.968 174.700 0.078 0.000 1.093 550 T CA -0.869 61.273 62.100 0.069 0.000 1.061 550 T CB 1.498 70.411 68.868 0.075 0.000 1.498 550 T HN -0.036 nan 8.240 nan 0.000 0.494 551 L N 0.902 122.189 121.223 0.105 0.000 2.393 551 L HA 0.715 5.054 4.340 -0.001 0.000 0.260 551 L C -2.689 174.298 176.870 0.195 0.000 1.002 551 L CA -2.220 52.719 54.840 0.165 0.000 0.818 551 L CB 1.587 43.764 42.059 0.196 0.000 1.369 551 L HN 0.504 nan 8.230 nan 0.000 0.412 552 P HA 0.150 nan 4.420 nan 0.000 0.267 552 P C 0.126 177.444 177.300 0.031 0.000 1.200 552 P CA -0.064 63.094 63.100 0.097 0.000 0.772 552 P CB 0.542 32.246 31.700 0.008 0.000 0.855 553 K N 2.016 122.413 120.400 -0.006 0.000 2.218 553 K HA -0.246 4.073 4.320 -0.001 0.000 0.205 553 K C 1.984 178.532 176.600 -0.086 0.000 1.046 553 K CA 1.371 57.651 56.287 -0.012 0.000 0.933 553 K CB -0.135 32.364 32.500 -0.001 0.000 0.728 553 K HN 0.371 nan 8.250 nan 0.000 0.454 554 R N 0.578 120.927 120.500 -0.252 0.000 2.119 554 R HA -0.194 4.145 4.340 -0.001 0.000 0.246 554 R C 1.761 177.867 176.300 -0.324 0.000 1.146 554 R CA 1.891 57.767 56.100 -0.374 0.000 0.962 554 R CB -0.245 29.674 30.300 -0.635 0.000 0.863 554 R HN 0.096 nan 8.270 nan 0.000 0.442 555 F N 0.237 120.211 119.950 0.039 0.000 2.367 555 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 555 F C 1.807 177.642 175.800 0.058 0.000 1.094 555 F CA 0.609 58.643 58.000 0.056 0.000 1.409 555 F CB -0.108 38.919 39.000 0.045 0.000 1.064 555 F HN -0.004 nan 8.300 nan 0.000 0.528 556 L N -1.168 120.161 121.223 0.177 0.000 2.477 556 L HA 0.095 4.435 4.340 -0.001 0.000 0.220 556 L C 1.900 178.817 176.870 0.078 0.000 1.106 556 L CA 0.757 55.671 54.840 0.124 0.000 0.851 556 L CB -0.179 41.940 42.059 0.101 0.000 0.994 556 L HN 0.105 nan 8.230 nan 0.000 0.462 557 E N -0.096 120.136 120.200 0.052 0.000 2.421 557 E HA 0.106 4.455 4.350 -0.001 0.000 0.209 557 E C -0.022 176.595 176.600 0.028 0.000 0.871 557 E CA 0.016 56.436 56.400 0.033 0.000 1.064 557 E CB 0.873 30.583 29.700 0.018 0.000 1.075 557 E HN 0.403 nan 8.360 nan 0.000 0.513 558 E N 2.263 122.477 120.200 0.024 0.000 2.109 558 E HA 0.243 4.592 4.350 -0.001 0.000 0.278 558 E C -2.587 174.048 176.600 0.058 0.000 0.954 558 E CA -2.145 54.270 56.400 0.026 0.000 0.779 558 E CB 1.569 31.271 29.700 0.003 0.000 1.093 558 E HN -0.039 nan 8.360 nan 0.000 0.401 559 P HA -0.053 nan 4.420 nan 0.000 0.268 559 P C -0.504 176.846 177.300 0.083 0.000 1.205 559 P CA -0.355 62.779 63.100 0.057 0.000 0.771 559 P CB 0.435 32.147 31.700 0.019 0.000 0.858 560 M N 7.324 126.998 119.600 0.123 0.000 2.356 560 M HA 0.077 4.557 4.480 -0.001 0.000 0.348 560 M C -1.680 174.677 176.300 0.094 0.000 1.595 560 M CA -1.521 53.863 55.300 0.141 0.000 1.095 560 M CB -0.060 32.653 32.600 0.187 0.000 1.963 560 M HN 0.223 nan 8.290 nan 0.000 0.459 561 P HA -0.139 nan 4.420 nan 0.000 0.220 561 P C -0.751 176.578 177.300 0.048 0.000 1.148 561 P CA 1.408 64.538 63.100 0.051 0.000 0.803 561 P CB -0.098 31.626 31.700 0.040 0.000 0.782 562 E N -2.792 117.446 120.200 0.063 0.000 2.442 562 E HA 0.489 4.838 4.350 -0.001 0.000 0.278 562 E C -0.466 176.177 176.600 0.073 0.000 1.082 562 E CA -0.735 55.698 56.400 0.056 0.000 0.861 562 E CB 0.883 30.607 29.700 0.039 0.000 1.462 562 E HN 0.091 nan 8.360 nan 0.000 0.458 563 G N 0.611 109.448 108.800 0.061 0.000 2.728 563 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.294 563 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.294 563 G C -1.899 173.047 174.900 0.077 0.000 1.342 563 G CA -0.276 44.864 45.100 0.068 0.000 0.866 563 G HN 0.507 nan 8.290 nan 0.000 0.534 564 P HA -0.035 nan 4.420 nan 0.000 0.228 564 P C 0.861 178.237 177.300 0.127 0.000 1.151 564 P CA 1.126 64.276 63.100 0.083 0.000 0.770 564 P CB 0.032 31.770 31.700 0.062 0.000 0.786 565 N N -0.204 118.588 118.700 0.153 0.000 2.235 565 N HA 0.028 4.768 4.740 -0.001 0.000 0.209 565 N C 0.641 176.336 175.510 0.307 0.000 1.122 565 N CA -0.127 53.066 53.050 0.239 0.000 0.845 565 N CB 0.352 38.957 38.487 0.197 0.000 1.004 565 N HN 0.273 nan 8.380 nan 0.000 0.499 566 K N 0.451 120.961 120.400 0.183 0.000 2.550 566 K HA -0.005 4.315 4.320 -0.001 0.000 0.280 566 K C 1.056 177.690 176.600 0.057 0.000 0.987 566 K CA 1.276 57.631 56.287 0.112 0.000 1.048 566 K CB 0.152 32.691 32.500 0.065 0.000 0.879 566 K HN 0.285 nan 8.250 nan 0.000 0.491 567 G N 2.502 111.309 108.800 0.011 0.000 2.225 567 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.254 567 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.254 567 G C -0.244 174.547 174.900 -0.181 0.000 0.988 567 G CA 0.432 45.473 45.100 -0.099 0.000 0.625 567 G HN 0.814 nan 8.290 nan 0.000 0.527 568 H N 0.276 119.342 119.070 -0.007 0.000 2.547 568 H HA 0.696 5.252 4.556 0.000 0.000 0.362 568 H C 0.390 175.755 175.328 0.060 0.000 1.181 568 H CA 1.111 57.150 56.048 -0.015 0.000 1.376 568 H CB 1.455 31.184 29.762 -0.055 0.000 1.488 568 H HN 0.156 nan 8.280 nan 0.000 0.583 569 T N 1.088 115.760 114.554 0.197 0.000 2.894 569 T HA 0.294 4.643 4.350 -0.001 0.000 0.309 569 T C -1.028 173.781 174.700 0.182 0.000 1.208 569 T CA -0.771 61.432 62.100 0.171 0.000 1.016 569 T CB 1.125 70.052 68.868 0.099 0.000 1.192 569 T HN 0.260 nan 8.240 nan 0.000 0.491 570 V N 3.616 123.634 119.914 0.173 0.000 2.432 570 V HA 0.336 4.456 4.120 -0.001 0.000 0.271 570 V C 0.510 176.661 176.094 0.094 0.000 1.046 570 V CA -0.406 61.971 62.300 0.130 0.000 0.945 570 V CB 0.713 32.600 31.823 0.106 0.000 0.992 570 V HN 0.658 nan 8.190 nan 0.000 0.471 571 R N 3.760 124.306 120.500 0.076 0.000 4.164 571 R HA 0.176 4.515 4.340 -0.001 0.000 0.195 571 R C 1.013 177.328 176.300 0.025 0.000 1.712 571 R CA -0.213 55.918 56.100 0.051 0.000 1.457 571 R CB -0.171 30.159 30.300 0.050 0.000 1.387 571 R HN 0.677 nan 8.270 nan 0.000 0.785 572 L N 0.854 122.092 121.223 0.025 0.000 2.072 572 L HA -0.082 4.258 4.340 -0.001 0.000 0.205 572 L C 1.419 178.284 176.870 -0.009 0.000 1.079 572 L CA 1.814 56.653 54.840 -0.001 0.000 0.752 572 L CB -0.005 42.062 42.059 0.013 0.000 0.906 572 L HN 0.130 nan 8.230 nan 0.000 0.436 573 K N 0.283 120.691 120.400 0.012 0.000 2.113 573 K HA -0.181 4.139 4.320 -0.001 0.000 0.208 573 K C 1.989 178.591 176.600 0.003 0.000 1.047 573 K CA 1.724 58.018 56.287 0.013 0.000 0.928 573 K CB -0.271 32.246 32.500 0.027 0.000 0.716 573 K HN 0.521 nan 8.250 nan 0.000 0.446 574 E N -0.537 119.666 120.200 0.004 0.000 2.046 574 E HA -0.087 4.263 4.350 -0.001 0.000 0.190 574 E C 2.053 178.645 176.600 -0.013 0.000 0.982 574 E CA 1.163 57.564 56.400 0.002 0.000 0.800 574 E CB -0.112 29.594 29.700 0.009 0.000 0.756 574 E HN 0.239 nan 8.360 nan 0.000 0.449 575 M N 0.320 119.904 119.600 -0.027 0.000 2.099 575 M HA -0.130 4.350 4.480 -0.001 0.000 0.262 575 M C 2.339 178.594 176.300 -0.076 0.000 1.067 575 M CA 0.770 56.043 55.300 -0.044 0.000 1.124 575 M CB -0.219 32.346 32.600 -0.059 0.000 1.353 575 M HN 0.109 nan 8.290 nan 0.000 0.410 576 L N 1.409 122.556 121.223 -0.125 0.000 1.978 576 L HA -0.176 4.164 4.340 -0.001 0.000 0.218 576 L C -0.560 176.089 176.870 -0.368 0.000 1.075 576 L CA 2.610 57.291 54.840 -0.264 0.000 0.767 576 L CB -1.761 40.160 42.059 -0.230 0.000 0.890 576 L HN 0.095 nan 8.230 nan 0.000 0.434 577 P HA -0.197 nan 4.420 nan 0.000 0.217 577 P C 1.521 178.822 177.300 0.001 0.000 1.150 577 P CA 1.601 64.676 63.100 -0.042 0.000 0.832 577 P CB -0.176 31.552 31.700 0.046 0.000 0.787 578 R N -1.466 119.025 120.500 -0.014 0.000 2.115 578 R HA -0.148 4.191 4.340 -0.001 0.000 0.230 578 R C 2.626 178.918 176.300 -0.013 0.000 1.111 578 R CA 1.170 57.269 56.100 -0.002 0.000 0.976 578 R CB -0.940 29.358 30.300 -0.003 0.000 0.870 578 R HN 0.228 nan 8.270 nan 0.000 0.445 579 Y N 0.311 120.514 120.300 -0.161 0.000 2.145 579 Y HA -0.294 4.256 4.550 -0.001 0.000 0.286 579 Y C 1.744 177.574 175.900 -0.117 0.000 1.145 579 Y CA 1.462 59.454 58.100 -0.179 0.000 1.148 579 Y CB -0.299 38.024 38.460 -0.228 0.000 0.981 579 Y HN -0.031 nan 8.280 nan 0.000 0.507 580 Y N 1.063 121.359 120.300 -0.006 0.000 2.128 580 Y HA -0.244 4.305 4.550 -0.000 0.000 0.284 580 Y C 2.650 178.454 175.900 -0.160 0.000 1.154 580 Y CA 1.519 59.595 58.100 -0.039 0.000 1.149 580 Y CB -1.139 37.447 38.460 0.210 0.000 0.976 580 Y HN 0.175 nan 8.280 nan 0.000 0.505 581 K N 0.547 120.996 120.400 0.080 0.000 2.009 581 K HA -0.177 4.143 4.320 -0.001 0.000 0.210 581 K C 1.937 178.472 176.600 -0.109 0.000 1.049 581 K CA 1.583 57.876 56.287 0.010 0.000 0.929 581 K CB -0.513 32.001 32.500 0.024 0.000 0.714 581 K HN 0.301 nan 8.250 nan 0.000 0.440 582 L N 0.629 121.744 121.223 -0.180 0.000 2.362 582 L HA -0.071 4.268 4.340 -0.001 0.000 0.219 582 L C 2.455 179.099 176.870 -0.376 0.000 1.134 582 L CA 0.455 55.157 54.840 -0.229 0.000 0.807 582 L CB -0.175 41.762 42.059 -0.202 0.000 0.927 582 L HN 0.127 nan 8.230 nan 0.000 0.447 583 R N 0.121 120.257 120.500 -0.607 0.000 2.276 583 R HA 0.085 4.424 4.340 -0.001 0.000 0.196 583 R C 1.272 177.167 176.300 -0.676 0.000 0.961 583 R CA 0.813 56.357 56.100 -0.927 0.000 1.024 583 R CB 0.142 29.320 30.300 -1.870 0.000 0.940 583 R HN 0.414 nan 8.270 nan 0.000 0.480 584 G N 0.049 108.652 108.800 -0.328 0.000 2.132 584 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.234 584 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.234 584 G C -0.353 174.676 174.900 0.215 0.000 0.989 584 G CA 0.026 45.100 45.100 -0.043 0.000 0.676 584 G HN 0.096 nan 8.290 nan 0.000 0.522 585 W N 0.819 122.130 121.300 0.017 0.000 2.485 585 W HA 0.735 5.395 4.660 -0.000 0.000 0.364 585 W C 1.183 177.710 176.519 0.013 0.000 1.171 585 W CA -0.500 56.851 57.345 0.010 0.000 1.304 585 W CB -0.174 29.279 29.460 -0.012 0.000 1.335 585 W HN 0.404 nan 8.180 nan 0.000 0.643 586 T N -2.110 112.583 114.554 0.230 0.000 2.766 586 T HA 0.105 4.454 4.350 -0.001 0.000 0.295 586 T C 0.917 175.696 174.700 0.131 0.000 1.024 586 T CA -0.233 61.944 62.100 0.128 0.000 1.018 586 T CB 0.970 69.875 68.868 0.061 0.000 1.002 586 T HN 0.449 nan 8.240 nan 0.000 0.532 587 E N 0.866 121.145 120.200 0.131 0.000 2.118 587 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 587 E C 1.314 178.024 176.600 0.182 0.000 0.992 587 E CA 1.431 57.944 56.400 0.187 0.000 0.804 587 E CB -0.179 29.602 29.700 0.134 0.000 0.741 587 E HN 0.845 nan 8.360 nan 0.000 0.458 588 D N -0.431 119.997 120.400 0.048 0.000 2.323 588 D HA 0.043 4.683 4.640 -0.001 0.000 0.239 588 D C 0.940 177.093 176.300 -0.246 0.000 1.129 588 D CA 0.562 54.552 54.000 -0.016 0.000 0.865 588 D CB -0.095 40.704 40.800 -0.002 0.000 0.913 588 D HN 0.207 nan 8.370 nan 0.000 0.517 589 G N 0.228 108.656 108.800 -0.620 0.000 2.198 589 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.257 589 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.257 589 G C -0.056 174.562 174.900 -0.469 0.000 1.042 589 G CA 0.193 44.652 45.100 -1.069 0.000 0.791 589 G HN 0.487 nan 8.290 nan 0.000 0.502 590 K N -0.759 119.470 120.400 -0.284 0.000 2.281 590 K HA 0.691 5.011 4.320 -0.001 0.000 0.242 590 K C 0.214 176.656 176.600 -0.263 0.000 0.971 590 K CA -1.110 55.010 56.287 -0.279 0.000 0.834 590 K CB 1.826 34.230 32.500 -0.160 0.000 1.181 590 K HN 0.147 nan 8.250 nan 0.000 0.435 591 I N 4.160 124.528 120.570 -0.338 0.000 2.297 591 I HA 0.186 4.355 4.170 -0.001 0.000 0.291 591 I C -1.833 174.297 176.117 0.022 0.000 1.033 591 I CA -2.030 59.132 61.300 -0.231 0.000 1.253 591 I CB 0.700 38.513 38.000 -0.312 0.000 1.396 591 I HN 0.313 nan 8.210 nan 0.000 0.476 592 P HA 0.062 nan 4.420 nan 0.000 0.275 592 P C 0.314 177.659 177.300 0.074 0.000 1.228 592 P CA -0.472 62.690 63.100 0.103 0.000 0.786 592 P CB 1.395 33.143 31.700 0.080 0.000 0.927 593 K N 1.382 121.751 120.400 -0.051 0.000 2.160 593 K HA -0.221 4.099 4.320 -0.001 0.000 0.206 593 K C 1.443 177.971 176.600 -0.120 0.000 1.047 593 K CA 1.681 57.805 56.287 -0.271 0.000 0.930 593 K CB 0.026 32.048 32.500 -0.798 0.000 0.720 593 K HN 0.320 nan 8.250 nan 0.000 0.450 594 E N 0.717 120.878 120.200 -0.065 0.000 2.085 594 E HA -0.215 4.135 4.350 -0.001 0.000 0.194 594 E C 1.785 178.394 176.600 0.014 0.000 0.994 594 E CA 1.412 57.796 56.400 -0.027 0.000 0.801 594 E CB -0.071 29.624 29.700 -0.007 0.000 0.743 594 E HN 0.128 nan 8.360 nan 0.000 0.453 595 K N 0.480 120.915 120.400 0.059 0.000 2.097 595 K HA -0.018 4.302 4.320 -0.001 0.000 0.205 595 K C 1.834 178.494 176.600 0.100 0.000 1.050 595 K CA 0.927 57.277 56.287 0.105 0.000 0.938 595 K CB -0.281 32.335 32.500 0.194 0.000 0.718 595 K HN 0.104 nan 8.250 nan 0.000 0.442 596 L N 0.412 121.692 121.223 0.095 0.000 2.083 596 L HA -0.177 4.162 4.340 -0.001 0.000 0.209 596 L C 2.197 179.105 176.870 0.063 0.000 1.083 596 L CA 1.561 56.468 54.840 0.112 0.000 0.752 596 L CB -0.407 41.740 42.059 0.147 0.000 0.899 596 L HN 0.309 nan 8.230 nan 0.000 0.433 597 E N -0.288 119.921 120.200 0.015 0.000 2.106 597 E HA -0.245 4.104 4.350 -0.001 0.000 0.192 597 E C 2.063 178.659 176.600 -0.006 0.000 0.984 597 E CA 0.887 57.281 56.400 -0.010 0.000 0.806 597 E CB -0.042 29.636 29.700 -0.038 0.000 0.750 597 E HN 0.430 nan 8.360 nan 0.000 0.458 598 E N 1.073 121.275 120.200 0.004 0.000 2.077 598 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 598 E C 1.852 178.447 176.600 -0.008 0.000 0.989 598 E CA 0.849 57.248 56.400 -0.002 0.000 0.800 598 E CB 0.037 29.744 29.700 0.012 0.000 0.746 598 E HN 0.250 nan 8.360 nan 0.000 0.452 599 L N -0.334 120.898 121.223 0.016 0.000 2.599 599 L HA 0.154 4.494 4.340 -0.001 0.000 0.230 599 L C 1.309 178.158 176.870 -0.034 0.000 1.141 599 L CA 0.409 55.247 54.840 -0.002 0.000 0.877 599 L CB 0.121 42.211 42.059 0.051 0.000 1.009 599 L HN 0.356 nan 8.230 nan 0.000 0.447 600 G N 1.658 110.449 108.800 -0.015 0.000 2.198 600 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.257 600 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.257 600 G C 0.578 175.495 174.900 0.028 0.000 1.042 600 G CA 0.544 45.632 45.100 -0.022 0.000 0.791 600 G HN 0.601 nan 8.290 nan 0.000 0.502 601 I N -3.995 116.629 120.570 0.090 0.000 3.966 601 I HA 0.678 4.848 4.170 -0.001 0.000 0.324 601 I C 1.695 177.892 176.117 0.134 0.000 1.517 601 I CA 0.240 61.659 61.300 0.199 0.000 1.117 601 I CB 0.277 38.554 38.000 0.461 0.000 1.190 601 I HN 0.117 nan 8.210 nan 0.000 0.466 602 A N 2.151 125.004 122.820 0.056 0.000 2.186 602 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 602 A C 2.256 179.853 177.584 0.021 0.000 1.159 602 A CA 1.847 53.914 52.037 0.050 0.000 0.680 602 A CB -0.598 18.393 19.000 -0.014 0.000 0.787 602 A HN 0.779 nan 8.150 nan 0.000 0.467 603 E N -1.141 118.978 120.200 -0.135 0.000 2.338 603 E HA -0.141 4.209 4.350 -0.001 0.000 0.197 603 E C 0.228 176.693 176.600 -0.225 0.000 1.007 603 E CA 0.716 56.969 56.400 -0.244 0.000 0.849 603 E CB -0.265 29.182 29.700 -0.423 0.000 0.774 603 E HN 0.569 nan 8.360 nan 0.000 0.506 604 F N 0.329 120.371 119.950 0.154 0.000 2.684 604 F HA 0.248 4.774 4.527 -0.001 0.000 0.298 604 F C 0.469 176.340 175.800 0.118 0.000 1.120 604 F CA -0.999 57.071 58.000 0.117 0.000 1.332 604 F CB -0.598 38.478 39.000 0.125 0.000 0.986 604 F HN -0.008 nan 8.300 nan 0.000 0.524 605 Y N 0.000 120.381 120.300 0.135 0.000 2.660 605 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 605 Y CA 0.000 58.146 58.100 0.077 0.000 1.940 605 Y CB 0.000 38.484 38.460 0.039 0.000 1.050 605 Y HN 0.000 nan 8.280 nan 0.000 0.758