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 2hit_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HG 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.616 177.584 0.054 0.000 1.274 1 A CA 0.000 52.059 52.037 0.037 0.000 0.836 1 A CB 0.000 19.022 19.000 0.036 0.000 0.831 2 E N 0.433 120.660 120.200 0.045 0.000 2.384 2 E HA 0.323 4.673 4.350 0.000 0.000 0.266 2 E C -0.606 176.046 176.600 0.087 0.000 1.012 2 E CA -0.193 56.241 56.400 0.056 0.000 0.901 2 E CB 0.443 30.155 29.700 0.021 0.000 0.967 2 E HN 0.775 nan 8.360 nan 0.000 0.435 3 Y N 3.114 123.407 120.300 -0.013 0.000 2.393 3 Y HA 0.046 4.596 4.550 0.000 0.000 0.338 3 Y C 0.505 176.393 175.900 -0.019 0.000 1.029 3 Y CA -0.391 57.705 58.100 -0.007 0.000 1.239 3 Y CB 1.019 39.477 38.460 -0.003 0.000 1.170 3 Y HN 0.501 nan 8.280 nan 0.000 0.515 4 Q N 3.679 123.158 119.800 -0.535 0.000 2.389 4 Q HA -0.072 4.268 4.340 0.000 0.000 0.204 4 Q C 0.563 176.133 176.000 -0.716 0.000 0.944 4 Q CA 0.934 56.431 55.803 -0.511 0.000 0.908 4 Q CB -0.277 28.313 28.738 -0.248 0.000 1.002 4 Q HN 0.907 nan 8.270 nan 0.000 0.493 5 N N -0.531 117.415 118.700 -1.256 0.000 2.776 5 N HA -0.153 4.587 4.740 0.000 0.000 0.249 5 N C 0.189 175.489 175.510 -0.349 0.000 1.111 5 N CA 0.403 53.012 53.050 -0.734 0.000 0.711 5 N CB -0.938 37.245 38.487 -0.506 0.000 1.065 5 N HN 0.159 nan 8.380 nan 0.000 0.556 6 I N -1.445 118.926 120.570 -0.331 0.000 2.494 6 I HA 0.104 4.274 4.170 0.000 0.000 0.250 6 I C 0.903 176.692 176.117 -0.547 0.000 1.112 6 I CA 1.024 62.069 61.300 -0.426 0.000 1.438 6 I CB -0.702 37.021 38.000 -0.462 0.000 1.111 6 I HN 0.011 nan 8.210 nan 0.000 0.431 7 F N 0.367 120.422 119.950 0.174 0.000 2.541 7 F HA 0.450 4.977 4.527 0.000 0.000 0.331 7 F C 0.947 176.958 175.800 0.351 0.000 1.057 7 F CA -0.911 57.260 58.000 0.285 0.000 0.975 7 F CB 0.735 39.901 39.000 0.277 0.000 1.246 7 F HN -0.329 nan 8.300 nan 0.000 0.484 8 S N 0.443 116.500 115.700 0.595 0.000 2.584 8 S HA 0.155 4.625 4.470 0.000 0.000 0.273 8 S C 0.744 175.611 174.600 0.445 0.000 1.311 8 S CA -0.653 57.825 58.200 0.463 0.000 1.034 8 S CB 1.340 64.739 63.200 0.332 0.000 0.939 8 S HN 0.659 nan 8.310 nan 0.000 0.513 9 Q N 0.536 120.438 119.800 0.169 0.000 2.123 9 Q HA 0.072 4.412 4.340 0.000 0.000 0.196 9 Q C -0.177 175.948 176.000 0.209 0.000 0.958 9 Q CA 0.739 56.589 55.803 0.079 0.000 0.841 9 Q CB 0.045 28.654 28.738 -0.215 0.000 0.915 9 Q HN 0.473 nan 8.270 nan 0.000 0.455 10 V N 1.238 121.237 119.914 0.142 0.000 2.588 10 V HA 0.244 4.364 4.120 0.000 0.000 0.304 10 V C -0.689 175.421 176.094 0.027 0.000 1.042 10 V CA -0.914 61.449 62.300 0.106 0.000 0.877 10 V CB 1.775 33.614 31.823 0.027 0.000 0.996 10 V HN 0.113 nan 8.190 nan 0.000 0.425 11 Q N 2.374 122.121 119.800 -0.088 0.000 2.243 11 Q HA 0.646 4.986 4.340 0.000 0.000 0.252 11 Q C -0.477 175.457 176.000 -0.110 0.000 0.909 11 Q CA -0.549 55.148 55.803 -0.177 0.000 0.922 11 Q CB 2.348 30.851 28.738 -0.392 0.000 1.215 11 Q HN 0.818 nan 8.270 nan 0.000 0.427 12 V N 0.157 120.022 119.914 -0.082 0.000 2.667 12 V HA 0.744 4.864 4.120 0.000 0.000 0.308 12 V C -0.620 175.429 176.094 -0.076 0.000 1.048 12 V CA -0.968 61.291 62.300 -0.069 0.000 0.928 12 V CB 1.884 33.680 31.823 -0.045 0.000 1.004 12 V HN 0.801 nan 8.190 nan 0.000 0.444 13 R N 1.815 122.257 120.500 -0.097 0.000 2.750 13 R HA 0.831 5.171 4.340 0.000 0.000 0.281 13 R C -0.176 176.050 176.300 -0.123 0.000 0.972 13 R CA 0.074 56.098 56.100 -0.126 0.000 0.912 13 R CB 2.270 32.430 30.300 -0.232 0.000 1.187 13 R HN 1.184 nan 8.270 nan 0.000 0.464 14 G N 1.964 110.698 108.800 -0.111 0.000 3.022 14 G HA2 0.537 4.497 3.960 0.000 0.000 0.284 14 G HA3 0.537 4.497 3.960 0.000 0.000 0.284 14 G C -2.637 172.208 174.900 -0.091 0.000 1.375 14 G CA -1.123 43.926 45.100 -0.085 0.000 0.902 14 G HN 0.470 nan 8.290 nan 0.000 0.538 15 P HA 0.395 nan 4.420 nan 0.000 0.267 15 P C 0.191 177.526 177.300 0.058 0.000 1.200 15 P CA -0.019 63.070 63.100 -0.019 0.000 0.772 15 P CB 0.552 32.248 31.700 -0.007 0.000 0.855 16 A N 2.194 125.088 122.820 0.124 0.000 2.565 16 A HA 0.024 4.344 4.320 0.000 0.000 0.237 16 A C 0.456 178.118 177.584 0.131 0.000 1.053 16 A CA 0.161 52.354 52.037 0.260 0.000 0.755 16 A CB -0.318 18.839 19.000 0.261 0.000 0.980 16 A HN 0.535 nan 8.150 nan 0.000 0.506 17 D N 2.485 122.954 120.400 0.116 0.000 2.339 17 D HA 0.255 4.895 4.640 0.000 0.000 0.241 17 D C 0.756 177.072 176.300 0.026 0.000 1.183 17 D CA -0.060 53.972 54.000 0.052 0.000 0.859 17 D CB 0.655 41.477 40.800 0.038 0.000 1.067 17 D HN 0.470 nan 8.370 nan 0.000 0.484 18 L N 2.857 124.091 121.223 0.020 0.000 2.509 18 L HA 0.234 4.574 4.340 0.000 0.000 0.222 18 L C 1.364 178.235 176.870 0.002 0.000 1.123 18 L CA 0.373 55.220 54.840 0.011 0.000 0.856 18 L CB -0.464 41.603 42.059 0.013 0.000 0.985 18 L HN 0.637 nan 8.230 nan 0.000 0.456 19 G N -0.062 108.737 108.800 -0.002 0.000 2.592 19 G HA2 -0.139 3.821 3.960 0.000 0.000 0.684 19 G HA3 -0.139 3.821 3.960 0.000 0.000 0.684 19 G C -0.577 174.315 174.900 -0.014 0.000 1.291 19 G CA -0.906 44.187 45.100 -0.012 0.000 0.891 19 G HN -0.167 nan 8.290 nan 0.000 0.544 20 M N 0.239 119.825 119.600 -0.024 0.000 2.288 20 M HA 0.427 4.907 4.480 0.000 0.000 0.334 20 M C 1.565 177.849 176.300 -0.026 0.000 1.150 20 M CA 0.124 55.408 55.300 -0.027 0.000 1.118 20 M CB 0.554 33.131 32.600 -0.038 0.000 1.501 20 M HN 0.694 nan 8.290 nan 0.000 0.462 21 T N -0.567 113.974 114.554 -0.022 0.000 2.980 21 T HA 0.041 4.391 4.350 0.000 0.000 0.239 21 T C 0.692 175.374 174.700 -0.029 0.000 1.011 21 T CA 0.080 62.169 62.100 -0.017 0.000 1.171 21 T CB 0.198 69.060 68.868 -0.010 0.000 0.873 21 T HN 0.591 nan 8.240 nan 0.000 0.431 22 E N 1.263 121.444 120.200 -0.032 0.000 3.439 22 E HA -0.225 4.125 4.350 0.000 0.000 0.385 22 E C 0.092 176.672 176.600 -0.034 0.000 1.557 22 E CA 1.674 58.051 56.400 -0.038 0.000 1.684 22 E CB -1.214 28.453 29.700 -0.056 0.000 1.677 22 E HN 0.398 nan 8.360 nan 0.000 0.455 23 D N 1.038 121.411 120.400 -0.045 0.000 2.395 23 D HA 0.180 4.820 4.640 0.000 0.000 0.226 23 D C -0.186 176.094 176.300 -0.034 0.000 1.146 23 D CA 0.090 54.068 54.000 -0.037 0.000 0.830 23 D CB 0.233 41.007 40.800 -0.044 0.000 0.958 23 D HN -0.080 nan 8.370 nan 0.000 0.501 24 V N 1.868 121.764 119.914 -0.029 0.000 2.583 24 V HA 0.008 4.128 4.120 0.000 0.000 0.287 24 V C 0.733 176.869 176.094 0.069 0.000 1.051 24 V CA -0.752 61.543 62.300 -0.008 0.000 1.010 24 V CB 1.243 33.062 31.823 -0.007 0.000 0.988 24 V HN 0.070 nan 8.190 nan 0.000 0.478 25 N N 4.617 123.402 118.700 0.142 0.000 2.406 25 N HA 0.118 4.858 4.740 0.000 0.000 0.269 25 N C 0.772 176.358 175.510 0.128 0.000 1.210 25 N CA 0.158 53.284 53.050 0.127 0.000 0.966 25 N CB 0.227 38.789 38.487 0.125 0.000 1.293 25 N HN 0.647 nan 8.380 nan 0.000 0.491 26 L N 2.353 123.614 121.223 0.062 0.000 2.353 26 L HA -0.116 4.224 4.340 0.000 0.000 0.220 26 L C 2.224 179.077 176.870 -0.030 0.000 1.133 26 L CA 0.862 55.719 54.840 0.028 0.000 0.798 26 L CB -0.500 41.568 42.059 0.015 0.000 0.922 26 L HN 0.593 nan 8.230 nan 0.000 0.445 27 A N 0.876 123.672 122.820 -0.040 0.000 1.948 27 A HA -0.257 4.064 4.320 0.000 0.000 0.220 27 A C 1.891 179.390 177.584 -0.140 0.000 1.177 27 A CA 2.207 54.201 52.037 -0.071 0.000 0.636 27 A CB -0.743 18.223 19.000 -0.056 0.000 0.815 27 A HN 0.585 nan 8.150 nan 0.000 0.449 28 N N -1.008 117.546 118.700 -0.244 0.000 2.398 28 N HA 0.048 4.788 4.740 0.000 0.000 0.188 28 N C 0.045 175.226 175.510 -0.548 0.000 1.122 28 N CA -0.157 52.600 53.050 -0.489 0.000 0.866 28 N CB 0.179 38.126 38.487 -0.901 0.000 0.970 28 N HN 0.382 nan 8.380 nan 0.000 0.462 29 R N 1.214 121.548 120.500 -0.276 0.000 2.297 29 R HA 0.191 4.532 4.340 0.000 0.000 0.308 29 R C 0.533 176.771 176.300 -0.103 0.000 1.029 29 R CA -0.348 55.666 56.100 -0.143 0.000 0.929 29 R CB 1.226 31.518 30.300 -0.013 0.000 1.046 29 R HN 0.130 nan 8.270 nan 0.000 0.461 30 S N 1.370 117.021 115.700 -0.082 0.000 2.611 30 S HA 0.130 4.600 4.470 0.000 0.000 0.252 30 S C 0.727 175.307 174.600 -0.034 0.000 1.369 30 S CA -0.433 57.735 58.200 -0.054 0.000 0.975 30 S CB 0.599 63.775 63.200 -0.041 0.000 0.937 30 S HN 0.663 nan 8.310 nan 0.000 0.584 31 G N -0.667 108.118 108.800 -0.025 0.000 2.528 31 G HA2 0.498 4.458 3.960 0.000 0.000 0.289 31 G HA3 0.498 4.458 3.960 0.000 0.000 0.289 31 G C 0.155 175.046 174.900 -0.014 0.000 1.192 31 G CA -0.528 44.565 45.100 -0.012 0.000 0.921 31 G HN 1.530 nan 8.290 nan 0.000 0.512 32 V N -0.395 119.516 119.914 -0.005 0.000 2.901 32 V HA 0.528 4.648 4.120 0.000 0.000 0.307 32 V C 1.085 177.164 176.094 -0.025 0.000 1.084 32 V CA -0.008 62.278 62.300 -0.024 0.000 1.184 32 V CB 0.151 31.981 31.823 0.012 0.000 0.941 32 V HN 0.937 nan 8.190 nan 0.000 0.493 33 G N 3.469 112.226 108.800 -0.072 0.000 2.531 33 G HA2 0.657 4.617 3.960 0.000 0.000 0.281 33 G HA3 0.657 4.617 3.960 0.000 0.000 0.281 33 G C -2.405 172.462 174.900 -0.055 0.000 1.382 33 G CA -1.119 43.948 45.100 -0.054 0.000 1.045 33 G HN 0.793 nan 8.290 nan 0.000 0.533 34 P HA 0.318 nan 4.420 nan 0.000 0.274 34 P C -1.180 176.110 177.300 -0.016 0.000 1.260 34 P CA -0.255 62.881 63.100 0.059 0.000 0.793 34 P CB 0.543 32.272 31.700 0.048 0.000 1.048 35 F N -0.961 118.980 119.950 -0.015 0.000 2.480 35 F HA 0.395 4.922 4.527 0.000 0.000 0.329 35 F C 0.851 176.637 175.800 -0.024 0.000 1.091 35 F CA -0.314 57.672 58.000 -0.024 0.000 0.972 35 F CB 1.722 40.702 39.000 -0.035 0.000 1.150 35 F HN 0.074 nan 8.300 nan 0.000 0.467 36 S N 1.687 117.453 115.700 0.109 0.000 2.594 36 S HA 0.225 4.696 4.470 0.000 0.000 0.322 36 S C 0.777 175.398 174.600 0.035 0.000 1.085 36 S CA -0.461 57.777 58.200 0.064 0.000 1.116 36 S CB 0.975 64.196 63.200 0.035 0.000 0.979 36 S HN 0.736 nan 8.310 nan 0.000 0.465 37 T N 5.302 119.863 114.554 0.011 0.000 2.803 37 T HA -0.107 4.243 4.350 0.000 0.000 0.269 37 T C 1.657 176.285 174.700 -0.121 0.000 1.052 37 T CA 1.530 63.570 62.100 -0.101 0.000 1.136 37 T CB -0.310 68.523 68.868 -0.058 0.000 0.864 37 T HN 0.541 nan 8.240 nan 0.000 0.467 38 L N 0.568 121.828 121.223 0.061 0.000 1.976 38 L HA -0.001 4.339 4.340 0.000 0.000 0.209 38 L C 2.318 179.298 176.870 0.183 0.000 1.071 38 L CA 1.546 56.502 54.840 0.192 0.000 0.746 38 L CB -0.612 41.538 42.059 0.153 0.000 0.890 38 L HN 0.254 nan 8.230 nan 0.000 0.432 39 L N -0.957 120.336 121.223 0.117 0.000 2.051 39 L HA -0.250 4.090 4.340 0.000 0.000 0.214 39 L C 2.488 179.447 176.870 0.148 0.000 1.076 39 L CA 1.483 56.411 54.840 0.147 0.000 0.758 39 L CB -1.390 40.722 42.059 0.087 0.000 0.890 39 L HN 0.503 nan 8.230 nan 0.000 0.433 40 G N -0.632 108.164 108.800 -0.005 0.000 2.550 40 G HA2 -0.301 3.659 3.960 0.000 0.000 0.222 40 G HA3 -0.301 3.659 3.960 0.000 0.000 0.222 40 G C 1.071 175.886 174.900 -0.141 0.000 1.113 40 G CA 0.901 45.920 45.100 -0.135 0.000 0.748 40 G HN 0.499 nan 8.290 nan 0.000 0.585 41 W N -1.540 119.879 121.300 0.199 0.000 2.595 41 W HA 0.304 4.964 4.660 0.000 0.000 0.257 41 W C 1.933 178.722 176.519 0.450 0.000 1.267 41 W CA -0.221 57.287 57.345 0.272 0.000 1.300 41 W CB -0.132 29.447 29.460 0.199 0.000 1.120 41 W HN 0.172 nan 8.180 nan 0.000 0.618 42 F N -0.936 119.256 119.950 0.404 0.000 2.537 42 F HA 0.450 4.977 4.527 0.000 0.000 0.275 42 F C 1.588 177.472 175.800 0.140 0.000 0.947 42 F CA 1.164 59.349 58.000 0.308 0.000 1.238 42 F CB -0.406 38.787 39.000 0.323 0.000 1.071 42 F HN -0.259 nan 8.300 nan 0.000 0.749 43 G N -0.409 108.505 108.800 0.191 0.000 3.257 43 G HA2 0.210 4.170 3.960 0.000 0.000 0.205 43 G HA3 0.210 4.170 3.960 0.000 0.000 0.205 43 G C -1.160 173.769 174.900 0.048 0.000 1.234 43 G CA -0.775 44.354 45.100 0.048 0.000 0.918 43 G HN -0.026 nan 8.290 nan 0.000 0.602 44 N N 0.552 119.269 118.700 0.027 0.000 2.513 44 N HA 0.316 5.056 4.740 0.000 0.000 0.268 44 N C 1.137 176.653 175.510 0.009 0.000 1.180 44 N CA 0.421 53.478 53.050 0.012 0.000 0.948 44 N CB 1.694 40.176 38.487 -0.010 0.000 1.083 44 N HN 0.518 nan 8.380 nan 0.000 0.455 45 A N 2.323 125.158 122.820 0.024 0.000 2.016 45 A HA -0.110 4.210 4.320 0.000 0.000 0.217 45 A C 1.012 178.529 177.584 -0.112 0.000 1.162 45 A CA 0.688 52.749 52.037 0.039 0.000 0.662 45 A CB -0.208 18.885 19.000 0.156 0.000 0.812 45 A HN 0.763 nan 8.150 nan 0.000 0.450 46 Q N 0.328 119.954 119.800 -0.290 0.000 2.304 46 Q HA 0.486 4.826 4.340 0.000 0.000 0.260 46 Q C -1.242 174.480 176.000 -0.464 0.000 0.965 46 Q CA -0.138 55.159 55.803 -0.844 0.000 0.898 46 Q CB 0.419 28.722 28.738 -0.726 0.000 1.196 46 Q HN 0.504 nan 8.270 nan 0.000 0.402 47 L N 3.612 124.553 121.223 -0.470 0.000 2.334 47 L HA 0.693 5.033 4.340 0.000 0.000 0.276 47 L C 0.549 177.288 176.870 -0.220 0.000 1.014 47 L CA -0.227 54.466 54.840 -0.244 0.000 0.815 47 L CB 1.685 43.649 42.059 -0.158 0.000 1.268 47 L HN 1.027 nan 8.230 nan 0.000 0.428 48 G N 2.799 111.521 108.800 -0.131 0.000 2.855 48 G HA2 -0.159 3.801 3.960 0.000 0.000 0.352 48 G HA3 -0.159 3.801 3.960 0.000 0.000 0.352 48 G C -2.887 171.956 174.900 -0.095 0.000 1.415 48 G CA -0.933 44.112 45.100 -0.091 0.000 0.871 48 G HN 0.453 nan 8.290 nan 0.000 0.543 49 P HA 0.595 nan 4.420 nan 0.000 0.274 49 P C -0.180 177.111 177.300 -0.014 0.000 1.256 49 P CA -0.447 62.634 63.100 -0.032 0.000 0.795 49 P CB 1.079 32.768 31.700 -0.018 0.000 1.038 50 I N 0.202 120.769 120.570 -0.005 0.000 2.603 50 I HA 0.363 4.533 4.170 0.000 0.000 0.300 50 I C -1.023 175.115 176.117 0.036 0.000 1.017 50 I CA -1.361 59.952 61.300 0.022 0.000 1.098 50 I CB 1.646 39.659 38.000 0.022 0.000 1.279 50 I HN 0.199 nan 8.210 nan 0.000 0.437 51 Y N 7.359 127.621 120.300 -0.063 0.000 2.350 51 Y HA 0.504 5.054 4.550 0.000 0.000 0.340 51 Y C -1.142 174.714 175.900 -0.073 0.000 1.006 51 Y CA -0.405 57.651 58.100 -0.074 0.000 1.166 51 Y CB 0.747 39.146 38.460 -0.102 0.000 1.168 51 Y HN 0.349 nan 8.280 nan 0.000 0.502 52 L N 7.593 128.630 121.223 -0.310 0.000 2.433 52 L HA 0.401 4.741 4.340 0.000 0.000 0.256 52 L C 0.670 177.374 176.870 -0.276 0.000 1.063 52 L CA -0.494 54.249 54.840 -0.161 0.000 0.922 52 L CB 0.658 42.667 42.059 -0.084 0.000 1.238 52 L HN 0.889 nan 8.230 nan 0.000 0.466 53 G N 0.710 109.419 108.800 -0.151 0.000 2.525 53 G HA2 0.141 4.102 3.960 0.000 0.000 0.276 53 G HA3 0.141 4.102 3.960 0.000 0.000 0.276 53 G C 0.893 175.792 174.900 -0.002 0.000 1.388 53 G CA -0.135 44.943 45.100 -0.037 0.000 1.050 53 G HN 0.512 nan 8.290 nan 0.000 0.520 54 S N -0.764 114.945 115.700 0.015 0.000 2.383 54 S HA -0.131 4.339 4.470 0.000 0.000 0.227 54 S C 2.262 176.884 174.600 0.036 0.000 1.026 54 S CA 0.842 59.051 58.200 0.015 0.000 0.981 54 S CB -0.297 62.911 63.200 0.013 0.000 0.818 54 S HN 0.329 nan 8.310 nan 0.000 0.472 55 L N 1.882 123.130 121.223 0.042 0.000 2.141 55 L HA 0.095 4.435 4.340 0.000 0.000 0.209 55 L C 2.224 179.125 176.870 0.052 0.000 1.094 55 L CA 1.502 56.368 54.840 0.044 0.000 0.763 55 L CB -1.035 41.033 42.059 0.015 0.000 0.908 55 L HN 0.332 nan 8.230 nan 0.000 0.437 56 G N -1.676 107.146 108.800 0.037 0.000 2.403 56 G HA2 -0.122 3.839 3.960 0.000 0.000 0.216 56 G HA3 -0.122 3.839 3.960 0.000 0.000 0.216 56 G C 1.487 176.453 174.900 0.109 0.000 1.154 56 G CA 0.803 45.935 45.100 0.053 0.000 0.784 56 G HN 0.274 nan 8.290 nan 0.000 0.538 57 V N 0.856 120.814 119.914 0.073 0.000 2.343 57 V HA -0.136 3.984 4.120 0.000 0.000 0.247 57 V C 2.657 178.828 176.094 0.128 0.000 1.051 57 V CA 1.562 63.909 62.300 0.077 0.000 1.036 57 V CB -0.517 31.321 31.823 0.024 0.000 0.654 57 V HN 0.341 nan 8.190 nan 0.000 0.451 58 L N 0.217 121.512 121.223 0.121 0.000 1.989 58 L HA -0.158 4.182 4.340 0.000 0.000 0.211 58 L C 2.662 179.663 176.870 0.218 0.000 1.071 58 L CA 2.493 57.434 54.840 0.168 0.000 0.749 58 L CB -0.989 41.151 42.059 0.136 0.000 0.890 58 L HN 0.321 nan 8.230 nan 0.000 0.431 59 S N -0.929 114.891 115.700 0.201 0.000 2.359 59 S HA -0.207 4.263 4.470 0.000 0.000 0.223 59 S C 2.046 176.755 174.600 0.182 0.000 1.039 59 S CA 1.917 60.256 58.200 0.231 0.000 1.042 59 S CB -0.472 62.962 63.200 0.390 0.000 0.915 59 S HN 0.465 nan 8.310 nan 0.000 0.439 60 L N -0.161 121.176 121.223 0.190 0.000 1.994 60 L HA -0.074 4.266 4.340 0.000 0.000 0.208 60 L C 2.335 179.232 176.870 0.044 0.000 1.071 60 L CA 1.868 56.765 54.840 0.095 0.000 0.745 60 L CB -0.729 41.392 42.059 0.103 0.000 0.892 60 L HN 0.383 nan 8.230 nan 0.000 0.431 61 F N 0.307 120.240 119.950 -0.029 0.000 2.095 61 F HA -0.303 4.224 4.527 0.000 0.000 0.298 61 F C 2.844 178.574 175.800 -0.117 0.000 1.104 61 F CA 1.913 59.867 58.000 -0.078 0.000 1.232 61 F CB -0.346 38.634 39.000 -0.033 0.000 0.987 61 F HN -0.005 nan 8.300 nan 0.000 0.475 62 S N -0.070 115.644 115.700 0.025 0.000 2.355 62 S HA -0.063 4.407 4.470 0.000 0.000 0.222 62 S C 2.395 176.905 174.600 -0.149 0.000 1.031 62 S CA 1.292 59.464 58.200 -0.047 0.000 0.993 62 S CB -1.259 62.050 63.200 0.181 0.000 0.859 62 S HN 0.576 nan 8.310 nan 0.000 0.453 63 G N 2.024 110.776 108.800 -0.080 0.000 2.476 63 G HA2 -0.173 3.787 3.960 0.000 0.000 0.218 63 G HA3 -0.173 3.787 3.960 0.000 0.000 0.218 63 G C 1.425 176.279 174.900 -0.076 0.000 1.164 63 G CA 1.084 46.162 45.100 -0.036 0.000 0.768 63 G HN 0.520 nan 8.290 nan 0.000 0.560 64 L N -0.292 120.741 121.223 -0.316 0.000 2.083 64 L HA -0.071 4.269 4.340 0.000 0.000 0.209 64 L C 3.023 179.451 176.870 -0.736 0.000 1.083 64 L CA 0.736 55.218 54.840 -0.598 0.000 0.752 64 L CB -0.396 41.215 42.059 -0.748 0.000 0.899 64 L HN 0.171 nan 8.230 nan 0.000 0.433 65 M N -1.373 117.736 119.600 -0.819 0.000 2.296 65 M HA -0.207 4.273 4.480 0.000 0.000 0.265 65 M C 1.982 177.949 176.300 -0.556 0.000 1.064 65 M CA 1.400 56.114 55.300 -0.976 0.000 1.109 65 M CB -1.147 30.366 32.600 -1.811 0.000 1.396 65 M HN 0.425 nan 8.290 nan 0.000 0.430 66 W N 0.301 121.330 121.300 -0.452 0.000 2.378 66 W HA -0.230 4.430 4.660 0.000 0.000 0.313 66 W C 2.182 178.616 176.519 -0.142 0.000 1.197 66 W CA 1.255 58.489 57.345 -0.184 0.000 1.304 66 W CB -1.018 28.366 29.460 -0.127 0.000 1.148 66 W HN 0.199 nan 8.180 nan 0.000 0.494 67 F N -0.349 119.383 119.950 -0.363 0.000 2.333 67 F HA -0.134 4.393 4.527 0.000 0.000 0.300 67 F C 1.583 177.431 175.800 0.080 0.000 1.083 67 F CA 1.497 59.286 58.000 -0.351 0.000 1.395 67 F CB -0.390 38.509 39.000 -0.169 0.000 1.056 67 F HN -0.193 nan 8.300 nan 0.000 0.529 68 F N -0.656 119.168 119.950 -0.211 0.000 2.698 68 F HA 0.098 4.625 4.527 0.000 0.000 0.295 68 F C 2.353 178.027 175.800 -0.211 0.000 1.124 68 F CA 0.541 58.415 58.000 -0.210 0.000 1.426 68 F CB -1.537 37.398 39.000 -0.108 0.000 1.120 68 F HN -0.165 nan 8.300 nan 0.000 0.583 69 T N 0.822 115.347 114.554 -0.048 0.000 2.812 69 T HA -0.066 4.284 4.350 0.000 0.000 0.264 69 T C 2.313 176.946 174.700 -0.112 0.000 1.042 69 T CA 1.141 63.226 62.100 -0.024 0.000 1.140 69 T CB -0.244 68.659 68.868 0.059 0.000 0.870 69 T HN 0.099 nan 8.240 nan 0.000 0.445 70 I N 1.219 121.576 120.570 -0.355 0.000 2.113 70 I HA -0.114 4.056 4.170 0.000 0.000 0.238 70 I C 2.938 178.708 176.117 -0.579 0.000 1.070 70 I CA 1.398 62.368 61.300 -0.551 0.000 1.332 70 I CB -0.899 36.557 38.000 -0.906 0.000 1.044 70 I HN 0.313 nan 8.210 nan 0.000 0.402 71 G N 1.429 109.895 108.800 -0.558 0.000 2.529 71 G HA2 -0.277 3.683 3.960 0.000 0.000 0.219 71 G HA3 -0.277 3.683 3.960 0.000 0.000 0.219 71 G C 1.653 176.584 174.900 0.052 0.000 1.177 71 G CA 0.722 45.661 45.100 -0.268 0.000 0.773 71 G HN 0.226 nan 8.290 nan 0.000 0.573 72 I N -0.231 120.364 120.570 0.041 0.000 2.118 72 I HA -0.186 3.984 4.170 0.000 0.000 0.241 72 I C 2.471 178.715 176.117 0.212 0.000 1.070 72 I CA 1.447 62.849 61.300 0.170 0.000 1.327 72 I CB -0.839 37.264 38.000 0.171 0.000 1.034 72 I HN 0.517 nan 8.210 nan 0.000 0.405 73 W N 1.219 122.521 121.300 0.005 0.000 2.335 73 W HA -0.320 4.340 4.660 0.000 0.000 0.311 73 W C 2.496 179.114 176.519 0.165 0.000 1.213 73 W CA 1.316 58.708 57.345 0.079 0.000 1.274 73 W CB -0.438 29.066 29.460 0.074 0.000 1.148 73 W HN 0.030 nan 8.180 nan 0.000 0.498 74 F N -0.259 119.565 119.950 -0.209 0.000 2.046 74 F HA -0.192 4.335 4.527 0.000 0.000 0.297 74 F C 2.166 177.465 175.800 -0.836 0.000 1.123 74 F CA 1.283 58.879 58.000 -0.674 0.000 1.199 74 F CB -1.865 36.868 39.000 -0.444 0.000 0.972 74 F HN -0.052 nan 8.300 nan 0.000 0.474 75 W N -0.960 120.192 121.300 -0.246 0.000 2.325 75 W HA -0.286 4.374 4.660 0.000 0.000 0.299 75 W C 2.675 178.571 176.519 -1.039 0.000 1.215 75 W CA 2.024 59.111 57.345 -0.431 0.000 1.244 75 W CB -1.182 28.113 29.460 -0.275 0.000 1.140 75 W HN 0.133 nan 8.180 nan 0.000 0.523 76 Y N 0.915 120.577 120.300 -1.063 0.000 2.145 76 Y HA -0.299 4.251 4.550 0.000 0.000 0.286 76 Y C 2.440 177.772 175.900 -0.947 0.000 1.145 76 Y CA 2.267 59.581 58.100 -1.311 0.000 1.148 76 Y CB -0.876 37.130 38.460 -0.756 0.000 0.981 76 Y HN -0.024 nan 8.280 nan 0.000 0.507 77 Q N -0.249 118.970 119.800 -0.968 0.000 2.248 77 Q HA -0.177 4.163 4.340 0.000 0.000 0.208 77 Q C 1.835 177.516 176.000 -0.532 0.000 0.984 77 Q CA 1.169 56.496 55.803 -0.794 0.000 0.875 77 Q CB -0.296 28.081 28.738 -0.600 0.000 0.910 77 Q HN 0.607 nan 8.270 nan 0.000 0.433 78 A N -0.142 122.294 122.820 -0.640 0.000 2.327 78 A HA 0.312 4.633 4.320 0.000 0.000 0.228 78 A C 1.207 178.607 177.584 -0.306 0.000 1.275 78 A CA 0.521 52.381 52.037 -0.295 0.000 0.875 78 A CB -0.409 18.440 19.000 -0.251 0.000 0.925 78 A HN 0.402 nan 8.150 nan 0.000 0.493 79 G N -1.646 106.841 108.800 -0.522 0.000 2.341 79 G HA2 -0.330 3.630 3.960 0.000 0.000 0.292 79 G HA3 -0.330 3.630 3.960 0.000 0.000 0.292 79 G C 0.450 175.280 174.900 -0.116 0.000 1.021 79 G CA 0.471 45.343 45.100 -0.380 0.000 0.905 79 G HN 1.129 nan 8.290 nan 0.000 0.508 80 W N -2.644 118.693 121.300 0.062 0.000 2.929 80 W HA -0.241 4.419 4.660 0.000 0.000 0.272 80 W C 0.947 177.634 176.519 0.280 0.000 1.040 80 W CA 0.534 58.007 57.345 0.213 0.000 0.569 80 W CB -1.693 27.823 29.460 0.093 0.000 2.058 80 W HN 0.648 nan 8.180 nan 0.000 1.477 81 N N 1.539 120.411 118.700 0.287 0.000 2.430 81 N HA 0.134 4.874 4.740 0.000 0.000 0.265 81 N C -1.134 174.485 175.510 0.182 0.000 1.100 81 N CA -1.434 51.748 53.050 0.221 0.000 0.961 81 N CB 1.372 39.921 38.487 0.103 0.000 1.075 81 N HN -0.203 nan 8.380 nan 0.000 0.478 82 P HA -0.006 nan 4.420 nan 0.000 0.221 82 P C 0.755 178.092 177.300 0.062 0.000 1.150 82 P CA 0.825 63.998 63.100 0.122 0.000 0.800 82 P CB 0.240 32.126 31.700 0.311 0.000 0.787 83 A N -0.220 122.636 122.820 0.061 0.000 1.858 83 A HA -0.146 4.174 4.320 0.000 0.000 0.216 83 A C 2.346 179.915 177.584 -0.025 0.000 1.190 83 A CA 1.859 53.906 52.037 0.017 0.000 0.617 83 A CB -1.689 17.318 19.000 0.012 0.000 0.827 83 A HN 0.020 nan 8.150 nan 0.000 0.443 84 V N -0.975 118.925 119.914 -0.024 0.000 2.332 84 V HA -0.267 3.853 4.120 0.000 0.000 0.248 84 V C 2.283 178.359 176.094 -0.029 0.000 1.055 84 V CA 2.213 64.480 62.300 -0.055 0.000 1.038 84 V CB -1.002 30.800 31.823 -0.035 0.000 0.651 84 V HN 0.622 nan 8.190 nan 0.000 0.450 85 F N 0.081 119.899 119.950 -0.219 0.000 2.069 85 F HA -0.237 4.290 4.527 0.000 0.000 0.298 85 F C 2.105 177.794 175.800 -0.184 0.000 1.113 85 F CA 1.841 59.648 58.000 -0.321 0.000 1.214 85 F CB -0.317 38.059 39.000 -1.040 0.000 0.978 85 F HN 0.054 nan 8.300 nan 0.000 0.474 86 L N 0.843 122.012 121.223 -0.091 0.000 2.083 86 L HA -0.163 4.177 4.340 0.000 0.000 0.209 86 L C 2.588 179.301 176.870 -0.261 0.000 1.083 86 L CA 1.681 56.426 54.840 -0.158 0.000 0.752 86 L CB -1.378 40.668 42.059 -0.022 0.000 0.899 86 L HN 0.235 nan 8.230 nan 0.000 0.433 87 R N -0.399 119.964 120.500 -0.229 0.000 2.062 87 R HA -0.133 4.207 4.340 0.000 0.000 0.231 87 R C 0.999 177.066 176.300 -0.388 0.000 1.136 87 R CA 1.735 57.676 56.100 -0.265 0.000 0.948 87 R CB -0.021 30.142 30.300 -0.228 0.000 0.845 87 R HN 0.255 nan 8.270 nan 0.000 0.430 88 D N 0.666 120.754 120.400 -0.521 0.000 2.328 88 D HA -0.031 4.609 4.640 0.000 0.000 0.221 88 D C 1.406 177.179 176.300 -0.878 0.000 1.072 88 D CA -0.016 53.490 54.000 -0.823 0.000 0.850 88 D CB 0.259 40.362 40.800 -1.162 0.000 0.922 88 D HN 0.143 nan 8.370 nan 0.000 0.516 89 L N 0.016 120.879 121.223 -0.600 0.000 2.137 89 L HA -0.198 4.143 4.340 0.000 0.000 0.213 89 L C 1.310 178.048 176.870 -0.221 0.000 1.085 89 L CA 1.586 56.144 54.840 -0.471 0.000 0.760 89 L CB -0.340 41.409 42.059 -0.516 0.000 0.893 89 L HN -0.031 nan 8.230 nan 0.000 0.434 90 F N -1.968 117.701 119.950 -0.469 0.000 2.789 90 F HA 0.138 4.665 4.527 0.000 0.000 0.300 90 F C 1.634 176.908 175.800 -0.876 0.000 1.132 90 F CA 0.028 57.532 58.000 -0.826 0.000 1.404 90 F CB -0.846 37.273 39.000 -1.469 0.000 1.114 90 F HN 0.071 nan 8.300 nan 0.000 0.584 91 F N -2.191 117.460 119.950 -0.498 0.000 2.731 91 F HA 0.160 4.687 4.527 0.000 0.000 0.298 91 F C 0.644 176.220 175.800 -0.372 0.000 1.106 91 F CA -0.429 57.383 58.000 -0.313 0.000 1.329 91 F CB -0.174 38.626 39.000 -0.334 0.000 1.100 91 F HN -0.353 nan 8.300 nan 0.000 0.592 92 F N 0.664 120.422 119.950 -0.320 0.000 2.450 92 F HA 0.389 4.916 4.527 0.000 0.000 0.339 92 F C 0.652 176.277 175.800 -0.292 0.000 1.146 92 F CA -0.597 57.055 58.000 -0.579 0.000 1.267 92 F CB 0.777 38.807 39.000 -1.617 0.000 1.178 92 F HN -0.362 nan 8.300 nan 0.000 0.585 93 S N 2.308 118.257 115.700 0.414 0.000 2.566 93 S HA 0.500 4.970 4.470 0.000 0.000 0.273 93 S C -1.764 173.348 174.600 0.853 0.000 1.157 93 S CA -0.678 57.895 58.200 0.622 0.000 0.938 93 S CB 0.829 64.267 63.200 0.396 0.000 1.087 93 S HN 0.538 nan 8.310 nan 0.000 0.474 94 L N 5.149 126.841 121.223 0.780 0.000 2.259 94 L HA 0.589 4.930 4.340 0.000 0.000 0.288 94 L C -0.264 176.820 176.870 0.358 0.000 1.051 94 L CA 0.228 55.316 54.840 0.414 0.000 0.824 94 L CB 0.499 42.763 42.059 0.342 0.000 1.206 94 L HN 0.580 nan 8.230 nan 0.000 0.429 95 E N 6.478 126.775 120.200 0.162 0.000 2.277 95 E HA 0.451 4.801 4.350 0.000 0.000 0.274 95 E C -2.397 174.049 176.600 -0.257 0.000 1.022 95 E CA -1.938 54.463 56.400 0.003 0.000 0.853 95 E CB 0.735 30.462 29.700 0.045 0.000 1.086 95 E HN 0.435 nan 8.360 nan 0.000 0.397 96 P HA 0.190 nan 4.420 nan 0.000 0.274 96 P C -2.458 174.596 177.300 -0.409 0.000 1.256 96 P CA -1.340 61.090 63.100 -1.116 0.000 0.795 96 P CB -0.588 30.145 31.700 -1.612 0.000 1.038 97 P HA 0.070 nan 4.420 nan 0.000 0.272 97 P C -0.166 177.177 177.300 0.073 0.000 1.223 97 P CA 0.036 63.112 63.100 -0.040 0.000 0.784 97 P CB 0.167 31.877 31.700 0.017 0.000 0.923 98 A N 4.032 126.977 122.820 0.208 0.000 2.492 98 A HA 0.123 4.443 4.320 0.000 0.000 0.236 98 A C -1.127 176.548 177.584 0.153 0.000 1.078 98 A CA -0.589 51.555 52.037 0.179 0.000 0.773 98 A CB -1.454 17.665 19.000 0.197 0.000 1.023 98 A HN 0.409 nan 8.150 nan 0.000 0.504 99 P HA -0.157 nan 4.420 nan 0.000 0.218 99 P C 0.727 178.025 177.300 -0.003 0.000 1.146 99 P CA 1.668 64.783 63.100 0.025 0.000 0.813 99 P CB 0.095 31.794 31.700 -0.002 0.000 0.778 100 E N -2.140 118.032 120.200 -0.048 0.000 2.268 100 E HA -0.152 4.198 4.350 0.000 0.000 0.195 100 E C 0.876 177.325 176.600 -0.251 0.000 0.995 100 E CA 0.976 57.266 56.400 -0.183 0.000 0.836 100 E CB -0.666 28.862 29.700 -0.286 0.000 0.763 100 E HN 0.482 nan 8.360 nan 0.000 0.491 101 Y N -0.335 119.980 120.300 0.026 0.000 2.468 101 Y HA 0.270 4.820 4.550 0.000 0.000 0.268 101 Y C 1.670 177.589 175.900 0.031 0.000 1.177 101 Y CA 0.005 58.134 58.100 0.049 0.000 1.265 101 Y CB 0.039 38.559 38.460 0.101 0.000 1.103 101 Y HN 0.058 nan 8.280 nan 0.000 0.522 102 G N 1.196 110.046 108.800 0.084 0.000 2.661 102 G HA2 -0.375 3.585 3.960 0.000 0.000 0.327 102 G HA3 -0.375 3.585 3.960 0.000 0.000 0.327 102 G C 0.783 175.600 174.900 -0.138 0.000 1.320 102 G CA 0.918 45.995 45.100 -0.039 0.000 0.997 102 G HN 0.328 nan 8.290 nan 0.000 0.543 103 L N 1.988 123.042 121.223 -0.282 0.000 2.611 103 L HA 0.308 4.648 4.340 0.000 0.000 0.229 103 L C 1.904 178.700 176.870 -0.124 0.000 1.137 103 L CA 0.523 55.020 54.840 -0.573 0.000 0.901 103 L CB -0.186 41.532 42.059 -0.568 0.000 1.098 103 L HN 0.653 nan 8.230 nan 0.000 0.456 104 S N -0.943 114.777 115.700 0.032 0.000 2.608 104 S HA 0.175 4.645 4.470 0.000 0.000 0.261 104 S C 0.300 175.027 174.600 0.211 0.000 1.314 104 S CA -0.318 57.885 58.200 0.004 0.000 0.992 104 S CB 0.553 63.803 63.200 0.085 0.000 0.935 104 S HN 0.118 nan 8.310 nan 0.000 0.564 105 F N 0.058 120.136 119.950 0.214 0.000 2.668 105 F HA 0.485 5.012 4.527 0.000 0.000 0.297 105 F C 1.842 177.666 175.800 0.039 0.000 1.124 105 F CA -0.952 57.110 58.000 0.105 0.000 1.353 105 F CB -1.182 37.850 39.000 0.053 0.000 0.992 105 F HN 0.747 nan 8.300 nan 0.000 0.524 106 A N 0.182 123.125 122.820 0.205 0.000 2.119 106 A HA 0.383 4.703 4.320 0.000 0.000 0.216 106 A C 1.663 179.241 177.584 -0.010 0.000 1.152 106 A CA 0.587 52.715 52.037 0.151 0.000 0.708 106 A CB -0.680 18.470 19.000 0.250 0.000 0.805 106 A HN 0.191 nan 8.150 nan 0.000 0.460 107 A N 0.951 123.585 122.820 -0.310 0.000 2.462 107 A HA 0.491 4.811 4.320 0.000 0.000 0.243 107 A C -2.122 175.281 177.584 -0.303 0.000 1.076 107 A CA -1.022 50.548 52.037 -0.778 0.000 0.773 107 A CB -0.463 17.975 19.000 -0.937 0.000 1.010 107 A HN 0.262 nan 8.150 nan 0.000 0.493 108 P HA 0.031 nan 4.420 nan 0.000 0.267 108 P C 0.981 178.217 177.300 -0.106 0.000 1.201 108 P CA -0.166 62.879 63.100 -0.091 0.000 0.775 108 P CB 0.365 32.051 31.700 -0.024 0.000 0.854 109 L N 1.543 122.725 121.223 -0.068 0.000 2.012 109 L HA -0.214 4.126 4.340 0.000 0.000 0.210 109 L C 2.000 178.785 176.870 -0.140 0.000 1.073 109 L CA 1.876 56.667 54.840 -0.081 0.000 0.748 109 L CB -0.574 41.463 42.059 -0.037 0.000 0.891 109 L HN 0.460 nan 8.230 nan 0.000 0.431 110 K N -0.131 120.219 120.400 -0.084 0.000 2.504 110 K HA -0.084 4.236 4.320 0.000 0.000 0.195 110 K C 0.294 176.798 176.600 -0.160 0.000 1.036 110 K CA 0.746 56.977 56.287 -0.092 0.000 0.984 110 K CB 0.126 32.714 32.500 0.147 0.000 0.788 110 K HN 0.382 nan 8.250 nan 0.000 0.488 111 E N -1.088 119.035 120.200 -0.128 0.000 3.428 111 E HA 0.152 4.503 4.350 0.000 0.000 0.191 111 E C 0.221 176.738 176.600 -0.138 0.000 0.980 111 E CA -0.231 56.120 56.400 -0.083 0.000 1.305 111 E CB 1.504 31.215 29.700 0.018 0.000 1.105 111 E HN 0.307 nan 8.360 nan 0.000 0.455 112 G N -0.237 108.462 108.800 -0.168 0.000 3.675 112 G HA2 -0.200 3.760 3.960 0.000 0.000 0.206 112 G HA3 -0.200 3.760 3.960 0.000 0.000 0.206 112 G C 1.172 176.045 174.900 -0.045 0.000 1.086 112 G CA -0.062 44.967 45.100 -0.118 0.000 0.894 112 G HN 0.348 nan 8.290 nan 0.000 0.412 113 G N 1.445 110.182 108.800 -0.104 0.000 2.491 113 G HA2 -0.108 3.852 3.960 0.000 0.000 0.218 113 G HA3 -0.108 3.852 3.960 0.000 0.000 0.218 113 G C 1.761 176.623 174.900 -0.064 0.000 1.180 113 G CA 1.560 46.611 45.100 -0.082 0.000 0.774 113 G HN 0.436 nan 8.290 nan 0.000 0.562 114 L N -0.635 120.536 121.223 -0.086 0.000 2.079 114 L HA -0.064 4.276 4.340 0.000 0.000 0.210 114 L C 2.347 179.226 176.870 0.014 0.000 1.081 114 L CA 1.355 56.158 54.840 -0.062 0.000 0.752 114 L CB -1.350 40.620 42.059 -0.147 0.000 0.896 114 L HN 0.603 nan 8.230 nan 0.000 0.433 115 W N 0.308 121.534 121.300 -0.123 0.000 2.358 115 W HA -0.203 4.457 4.660 0.000 0.000 0.303 115 W C 2.417 178.942 176.519 0.011 0.000 1.208 115 W CA 1.264 58.616 57.345 0.011 0.000 1.274 115 W CB -0.159 29.267 29.460 -0.057 0.000 1.138 115 W HN 0.024 nan 8.180 nan 0.000 0.515 116 L N 0.183 121.448 121.223 0.070 0.000 2.017 116 L HA -0.249 4.092 4.340 0.000 0.000 0.208 116 L C 2.479 179.187 176.870 -0.270 0.000 1.073 116 L CA 1.560 56.270 54.840 -0.216 0.000 0.745 116 L CB -0.922 41.001 42.059 -0.227 0.000 0.894 116 L HN 0.015 nan 8.230 nan 0.000 0.432 117 I N -0.085 120.370 120.570 -0.192 0.000 2.091 117 I HA -0.371 3.799 4.170 0.000 0.000 0.239 117 I C 2.843 178.936 176.117 -0.040 0.000 1.061 117 I CA 1.466 62.657 61.300 -0.182 0.000 1.317 117 I CB -0.623 37.336 38.000 -0.069 0.000 1.031 117 I HN 0.243 nan 8.210 nan 0.000 0.401 118 A N 0.373 123.224 122.820 0.051 0.000 1.892 118 A HA -0.245 4.075 4.320 0.000 0.000 0.218 118 A C 2.473 180.134 177.584 0.128 0.000 1.188 118 A CA 2.564 54.708 52.037 0.178 0.000 0.631 118 A CB -0.888 18.051 19.000 -0.102 0.000 0.822 118 A HN 0.471 nan 8.150 nan 0.000 0.447 119 S N -1.083 114.538 115.700 -0.132 0.000 2.383 119 S HA -0.116 4.354 4.470 0.000 0.000 0.227 119 S C 1.633 176.309 174.600 0.127 0.000 1.026 119 S CA 1.282 59.432 58.200 -0.084 0.000 0.981 119 S CB -0.563 62.255 63.200 -0.637 0.000 0.818 119 S HN 0.631 nan 8.310 nan 0.000 0.472 120 F N 2.197 122.057 119.950 -0.149 0.000 2.065 120 F HA -0.171 4.356 4.527 0.000 0.000 0.298 120 F C 1.723 177.505 175.800 -0.030 0.000 1.112 120 F CA 1.361 59.250 58.000 -0.184 0.000 1.212 120 F CB -0.568 38.152 39.000 -0.466 0.000 0.975 120 F HN 0.104 nan 8.300 nan 0.000 0.476 121 F N 0.012 119.963 119.950 0.002 0.000 2.171 121 F HA -0.217 4.310 4.527 0.000 0.000 0.300 121 F C 2.656 178.343 175.800 -0.188 0.000 1.090 121 F CA 1.680 59.631 58.000 -0.082 0.000 1.293 121 F CB -1.002 38.049 39.000 0.085 0.000 1.013 121 F HN 0.088 nan 8.300 nan 0.000 0.486 122 M N -1.434 118.103 119.600 -0.106 0.000 2.200 122 M HA -0.186 4.294 4.480 0.000 0.000 0.265 122 M C 2.263 178.506 176.300 -0.095 0.000 1.066 122 M CA 1.475 56.510 55.300 -0.442 0.000 1.127 122 M CB -0.348 31.731 32.600 -0.869 0.000 1.379 122 M HN 0.192 nan 8.290 nan 0.000 0.420 123 F N 0.412 120.360 119.950 -0.005 0.000 2.075 123 F HA -0.231 4.296 4.527 0.000 0.000 0.297 123 F C 1.886 177.715 175.800 0.049 0.000 1.113 123 F CA 1.948 60.007 58.000 0.099 0.000 1.218 123 F CB -0.443 38.453 39.000 -0.173 0.000 0.984 123 F HN -0.112 nan 8.300 nan 0.000 0.472 124 V N 0.689 120.651 119.914 0.079 0.000 2.332 124 V HA -0.352 3.768 4.120 0.000 0.000 0.248 124 V C 2.704 178.827 176.094 0.048 0.000 1.055 124 V CA 1.822 64.146 62.300 0.039 0.000 1.038 124 V CB -1.692 30.071 31.823 -0.101 0.000 0.651 124 V HN 0.525 nan 8.190 nan 0.000 0.450 125 A N -0.142 122.669 122.820 -0.016 0.000 1.858 125 A HA -0.170 4.150 4.320 0.000 0.000 0.216 125 A C 2.397 179.957 177.584 -0.041 0.000 1.190 125 A CA 2.267 54.290 52.037 -0.024 0.000 0.617 125 A CB -0.768 18.153 19.000 -0.131 0.000 0.827 125 A HN 0.337 nan 8.150 nan 0.000 0.443 126 V N -2.390 117.363 119.914 -0.267 0.000 2.358 126 V HA -0.274 3.847 4.120 0.000 0.000 0.246 126 V C 2.267 178.221 176.094 -0.233 0.000 1.047 126 V CA 1.790 63.842 62.300 -0.414 0.000 1.035 126 V CB -1.023 30.131 31.823 -1.115 0.000 0.658 126 V HN 0.775 nan 8.190 nan 0.000 0.452 127 W N 0.878 122.079 121.300 -0.163 0.000 2.381 127 W HA -0.171 4.489 4.660 0.000 0.000 0.301 127 W C 3.004 179.602 176.519 0.132 0.000 1.205 127 W CA 1.665 58.962 57.345 -0.080 0.000 1.285 127 W CB -0.477 28.790 29.460 -0.322 0.000 1.133 127 W HN 0.336 nan 8.180 nan 0.000 0.521 128 S N -0.638 115.241 115.700 0.298 0.000 2.368 128 S HA -0.288 4.182 4.470 0.000 0.000 0.225 128 S C 1.714 176.454 174.600 0.233 0.000 1.030 128 S CA 1.115 59.461 58.200 0.244 0.000 0.999 128 S CB -1.461 61.852 63.200 0.188 0.000 0.844 128 S HN 0.475 nan 8.310 nan 0.000 0.459 129 W N 1.058 122.413 121.300 0.092 0.000 2.338 129 W HA -0.160 4.500 4.660 0.000 0.000 0.304 129 W C 2.035 178.662 176.519 0.179 0.000 1.212 129 W CA 1.332 58.725 57.345 0.080 0.000 1.264 129 W CB -0.632 28.847 29.460 0.032 0.000 1.142 129 W HN 0.497 nan 8.180 nan 0.000 0.512 130 W N 1.541 123.045 121.300 0.341 0.000 2.318 130 W HA -0.201 4.459 4.660 0.000 0.000 0.313 130 W C 2.499 179.091 176.519 0.122 0.000 1.221 130 W CA 3.561 61.076 57.345 0.284 0.000 1.266 130 W CB -0.968 28.485 29.460 -0.012 0.000 1.150 130 W HN -0.097 nan 8.180 nan 0.000 0.496 131 G N -0.039 108.811 108.800 0.083 0.000 2.432 131 G HA2 -0.274 3.686 3.960 0.000 0.000 0.219 131 G HA3 -0.274 3.686 3.960 0.000 0.000 0.219 131 G C 1.609 176.315 174.900 -0.322 0.000 1.135 131 G CA 0.921 45.899 45.100 -0.203 0.000 0.767 131 G HN 0.292 nan 8.290 nan 0.000 0.550 132 R N 0.077 120.379 120.500 -0.329 0.000 2.083 132 R HA -0.123 4.217 4.340 0.000 0.000 0.237 132 R C 3.108 179.104 176.300 -0.508 0.000 1.137 132 R CA 2.020 57.841 56.100 -0.465 0.000 0.951 132 R CB -0.556 29.290 30.300 -0.757 0.000 0.851 132 R HN 0.533 nan 8.270 nan 0.000 0.434 133 T N -2.062 112.171 114.554 -0.535 0.000 2.803 133 T HA -0.231 4.119 4.350 0.000 0.000 0.269 133 T C 1.770 176.178 174.700 -0.486 0.000 1.052 133 T CA 1.352 63.169 62.100 -0.470 0.000 1.136 133 T CB -0.501 68.160 68.868 -0.346 0.000 0.864 133 T HN 0.352 nan 8.240 nan 0.000 0.467 134 Y N 1.656 121.526 120.300 -0.716 0.000 2.176 134 Y HA 0.237 4.787 4.550 0.000 0.000 0.291 134 Y C 2.226 177.851 175.900 -0.458 0.000 1.122 134 Y CA 0.837 58.535 58.100 -0.669 0.000 1.128 134 Y CB -0.374 37.571 38.460 -0.859 0.000 1.005 134 Y HN 0.119 nan 8.280 nan 0.000 0.509 135 L N -0.229 120.889 121.223 -0.175 0.000 2.046 135 L HA -0.249 4.091 4.340 0.000 0.000 0.208 135 L C 2.550 179.236 176.870 -0.307 0.000 1.077 135 L CA 1.140 55.875 54.840 -0.176 0.000 0.747 135 L CB -0.494 41.467 42.059 -0.163 0.000 0.896 135 L HN 0.145 nan 8.230 nan 0.000 0.432 136 R N 0.163 120.432 120.500 -0.384 0.000 2.096 136 R HA -0.096 4.244 4.340 0.000 0.000 0.235 136 R C 2.290 178.384 176.300 -0.343 0.000 1.127 136 R CA 1.406 57.259 56.100 -0.412 0.000 0.968 136 R CB -1.089 28.965 30.300 -0.409 0.000 0.861 136 R HN 0.367 nan 8.270 nan 0.000 0.440 137 A N 1.088 123.689 122.820 -0.364 0.000 1.908 137 A HA -0.237 4.083 4.320 0.000 0.000 0.218 137 A C 2.221 179.613 177.584 -0.319 0.000 1.181 137 A CA 1.665 53.492 52.037 -0.350 0.000 0.627 137 A CB -0.500 18.232 19.000 -0.446 0.000 0.818 137 A HN 0.424 nan 8.150 nan 0.000 0.445 138 Q N -0.700 118.891 119.800 -0.348 0.000 2.079 138 Q HA -0.069 4.271 4.340 0.000 0.000 0.200 138 Q C 2.149 178.039 176.000 -0.183 0.000 0.974 138 Q CA 1.423 57.071 55.803 -0.259 0.000 0.840 138 Q CB -0.338 28.285 28.738 -0.192 0.000 0.898 138 Q HN 0.592 nan 8.270 nan 0.000 0.430 139 A N 0.431 123.130 122.820 -0.201 0.000 1.972 139 A HA -0.105 4.215 4.320 0.000 0.000 0.219 139 A C 1.815 179.312 177.584 -0.144 0.000 1.169 139 A CA 1.042 52.978 52.037 -0.169 0.000 0.635 139 A CB -0.353 18.512 19.000 -0.225 0.000 0.810 139 A HN 0.449 nan 8.150 nan 0.000 0.446 140 L N -1.732 119.393 121.223 -0.163 0.000 2.567 140 L HA 0.264 4.604 4.340 0.000 0.000 0.225 140 L C 1.580 178.382 176.870 -0.115 0.000 1.119 140 L CA 0.523 55.284 54.840 -0.131 0.000 0.871 140 L CB 0.067 42.041 42.059 -0.142 0.000 1.036 140 L HN 0.539 nan 8.230 nan 0.000 0.459 141 G N 0.090 108.816 108.800 -0.124 0.000 2.141 141 G HA2 -0.270 3.690 3.960 0.000 0.000 0.242 141 G HA3 -0.270 3.690 3.960 0.000 0.000 0.242 141 G C 0.195 175.031 174.900 -0.105 0.000 0.982 141 G CA 0.001 45.041 45.100 -0.101 0.000 0.662 141 G HN 0.222 nan 8.290 nan 0.000 0.527 142 M N 0.503 120.020 119.600 -0.138 0.000 2.368 142 M HA 0.560 5.041 4.480 0.000 0.000 0.311 142 M C 1.399 177.619 176.300 -0.132 0.000 1.168 142 M CA -0.012 55.210 55.300 -0.130 0.000 1.044 142 M CB 0.772 33.281 32.600 -0.152 0.000 1.506 142 M HN 0.215 nan 8.290 nan 0.000 0.475 143 G N 0.635 109.406 108.800 -0.049 0.000 2.699 143 G HA2 0.133 4.093 3.960 0.000 0.000 0.246 143 G HA3 0.133 4.093 3.960 0.000 0.000 0.246 143 G C 0.205 175.086 174.900 -0.032 0.000 1.219 143 G CA -0.506 44.641 45.100 0.079 0.000 0.866 143 G HN 0.654 nan 8.290 nan 0.000 0.572 144 K N -0.145 120.163 120.400 -0.153 0.000 2.498 144 K HA 0.125 4.445 4.320 0.000 0.000 0.207 144 K C 1.273 177.581 176.600 -0.487 0.000 1.033 144 K CA -0.183 55.787 56.287 -0.529 0.000 1.138 144 K CB 0.186 32.151 32.500 -0.892 0.000 0.860 144 K HN 0.586 nan 8.250 nan 0.000 0.490 145 H N 0.805 119.748 119.070 -0.213 0.000 2.319 145 H HA -0.100 4.456 4.556 0.000 0.000 0.299 145 H C 1.776 177.053 175.328 -0.085 0.000 1.092 145 H CA 2.197 58.209 56.048 -0.061 0.000 1.302 145 H CB -0.569 29.162 29.762 -0.051 0.000 1.373 145 H HN 0.078 nan 8.280 nan 0.000 0.497 146 T N 0.472 115.024 114.554 -0.003 0.000 2.624 146 T HA -0.269 4.081 4.350 0.000 0.000 0.268 146 T C 2.355 177.045 174.700 -0.017 0.000 1.041 146 T CA 1.780 63.856 62.100 -0.040 0.000 1.159 146 T CB -0.682 68.115 68.868 -0.117 0.000 0.863 146 T HN 0.551 nan 8.240 nan 0.000 0.434 147 A N 0.118 122.812 122.820 -0.210 0.000 1.930 147 A HA -0.033 4.287 4.320 0.000 0.000 0.217 147 A C 2.149 179.895 177.584 0.271 0.000 1.175 147 A CA 1.119 53.054 52.037 -0.170 0.000 0.627 147 A CB -1.059 17.550 19.000 -0.651 0.000 0.815 147 A HN 0.747 nan 8.150 nan 0.000 0.443 148 W N -0.333 121.101 121.300 0.224 0.000 2.379 148 W HA -0.038 4.622 4.660 0.000 0.000 0.307 148 W C 2.787 179.368 176.519 0.103 0.000 1.200 148 W CA 0.588 58.030 57.345 0.163 0.000 1.297 148 W CB -0.206 29.258 29.460 0.007 0.000 1.140 148 W HN 0.371 nan 8.180 nan 0.000 0.507 149 A N 0.394 123.376 122.820 0.269 0.000 1.917 149 A HA -0.292 4.028 4.320 0.000 0.000 0.219 149 A C 1.772 179.520 177.584 0.274 0.000 1.182 149 A CA 1.780 53.911 52.037 0.156 0.000 0.633 149 A CB -1.227 17.822 19.000 0.081 0.000 0.819 149 A HN 0.383 nan 8.150 nan 0.000 0.448 150 F N -0.075 119.979 119.950 0.174 0.000 2.234 150 F HA -0.052 4.475 4.527 0.000 0.000 0.299 150 F C 1.714 177.642 175.800 0.214 0.000 1.087 150 F CA 0.918 59.031 58.000 0.187 0.000 1.340 150 F CB -0.567 38.562 39.000 0.215 0.000 1.031 150 F HN 0.160 nan 8.300 nan 0.000 0.500 151 L N -0.048 121.332 121.223 0.262 0.000 2.081 151 L HA -0.219 4.121 4.340 0.000 0.000 0.212 151 L C 2.806 179.716 176.870 0.066 0.000 1.080 151 L CA 2.112 56.975 54.840 0.038 0.000 0.754 151 L CB -1.431 40.770 42.059 0.236 0.000 0.893 151 L HN 0.299 nan 8.230 nan 0.000 0.433 152 S N -1.349 114.430 115.700 0.132 0.000 2.368 152 S HA -0.173 4.297 4.470 0.000 0.000 0.225 152 S C 2.141 176.875 174.600 0.224 0.000 1.030 152 S CA 1.188 59.487 58.200 0.166 0.000 0.999 152 S CB -0.253 63.014 63.200 0.112 0.000 0.844 152 S HN 0.565 nan 8.310 nan 0.000 0.459 153 A N 1.250 124.178 122.820 0.180 0.000 1.873 153 A HA 0.034 4.354 4.320 0.000 0.000 0.215 153 A C 2.094 179.749 177.584 0.118 0.000 1.186 153 A CA 1.451 53.592 52.037 0.174 0.000 0.616 153 A CB -0.814 18.329 19.000 0.238 0.000 0.823 153 A HN 0.600 nan 8.150 nan 0.000 0.442 154 I N -1.107 119.423 120.570 -0.067 0.000 2.264 154 I HA -0.306 3.864 4.170 0.000 0.000 0.248 154 I C 2.450 178.699 176.117 0.221 0.000 1.111 154 I CA 1.531 62.772 61.300 -0.099 0.000 1.382 154 I CB -0.263 37.377 38.000 -0.599 0.000 1.060 154 I HN 0.768 nan 8.210 nan 0.000 0.418 155 W N 1.473 122.779 121.300 0.011 0.000 2.354 155 W HA -0.296 4.364 4.660 0.000 0.000 0.315 155 W C 2.323 178.886 176.519 0.072 0.000 1.206 155 W CA 1.251 58.620 57.345 0.041 0.000 1.290 155 W CB -0.381 29.091 29.460 0.021 0.000 1.152 155 W HN 0.157 nan 8.180 nan 0.000 0.489 156 L N 1.277 122.459 121.223 -0.069 0.000 2.012 156 L HA -0.178 4.162 4.340 0.000 0.000 0.210 156 L C 2.336 179.163 176.870 -0.072 0.000 1.073 156 L CA 2.893 57.614 54.840 -0.198 0.000 0.748 156 L CB -1.694 40.361 42.059 -0.008 0.000 0.891 156 L HN 0.281 nan 8.230 nan 0.000 0.431 157 W N -0.208 121.036 121.300 -0.093 0.000 2.355 157 W HA -0.236 4.424 4.660 0.000 0.000 0.309 157 W C 2.252 178.798 176.519 0.045 0.000 1.206 157 W CA 1.867 59.188 57.345 -0.039 0.000 1.284 157 W CB -0.325 29.102 29.460 -0.054 0.000 1.145 157 W HN 0.093 nan 8.180 nan 0.000 0.502 158 M N 0.351 119.764 119.600 -0.311 0.000 2.117 158 M HA -0.185 4.295 4.480 0.000 0.000 0.262 158 M C 1.917 178.095 176.300 -0.203 0.000 1.065 158 M CA 1.533 56.601 55.300 -0.386 0.000 1.114 158 M CB -1.506 31.048 32.600 -0.076 0.000 1.361 158 M HN 0.014 nan 8.290 nan 0.000 0.408 159 V N 0.583 120.293 119.914 -0.339 0.000 2.261 159 V HA -0.280 3.840 4.120 0.000 0.000 0.246 159 V C 2.500 178.479 176.094 -0.192 0.000 1.047 159 V CA 1.557 63.638 62.300 -0.366 0.000 1.015 159 V CB -0.696 30.718 31.823 -0.680 0.000 0.642 159 V HN 0.397 nan 8.190 nan 0.000 0.446 160 L N 0.204 121.311 121.223 -0.192 0.000 2.042 160 L HA -0.123 4.218 4.340 0.000 0.000 0.210 160 L C 2.320 179.098 176.870 -0.154 0.000 1.076 160 L CA 1.895 56.653 54.840 -0.137 0.000 0.749 160 L CB -0.706 41.257 42.059 -0.160 0.000 0.893 160 L HN 0.497 nan 8.230 nan 0.000 0.432 161 G N -2.687 105.959 108.800 -0.255 0.000 2.833 161 G HA2 0.060 4.020 3.960 0.000 0.000 0.210 161 G HA3 0.060 4.020 3.960 0.000 0.000 0.210 161 G C 0.896 175.380 174.900 -0.693 0.000 1.139 161 G CA 0.010 44.832 45.100 -0.464 0.000 0.771 161 G HN 0.238 nan 8.290 nan 0.000 0.535 162 F N -0.662 119.300 119.950 0.021 0.000 2.212 162 F HA 0.382 4.909 4.527 0.000 0.000 0.262 162 F C 2.168 178.022 175.800 0.090 0.000 0.906 162 F CA -0.290 57.801 58.000 0.151 0.000 1.127 162 F CB -0.078 38.963 39.000 0.069 0.000 1.178 162 F HN -0.091 nan 8.300 nan 0.000 0.779 163 I N 0.508 121.196 120.570 0.196 0.000 2.202 163 I HA -0.218 3.952 4.170 0.000 0.000 0.242 163 I C 2.589 178.736 176.117 0.050 0.000 1.091 163 I CA 1.426 62.789 61.300 0.105 0.000 1.368 163 I CB -0.343 37.692 38.000 0.058 0.000 1.058 163 I HN 0.093 nan 8.210 nan 0.000 0.410 164 R N 0.910 121.426 120.500 0.027 0.000 2.066 164 R HA -0.126 4.214 4.340 0.000 0.000 0.232 164 R C -0.459 175.868 176.300 0.044 0.000 1.131 164 R CA 1.649 57.772 56.100 0.039 0.000 0.955 164 R CB -1.079 29.263 30.300 0.070 0.000 0.851 164 R HN 0.210 nan 8.270 nan 0.000 0.432 165 P HA -0.126 nan 4.420 nan 0.000 0.218 165 P C 1.044 178.258 177.300 -0.143 0.000 1.148 165 P CA 1.269 64.371 63.100 0.002 0.000 0.822 165 P CB -0.006 31.753 31.700 0.098 0.000 0.784 166 I N -1.236 119.258 120.570 -0.126 0.000 2.179 166 I HA -0.222 3.948 4.170 0.000 0.000 0.242 166 I C 2.211 178.259 176.117 -0.115 0.000 1.088 166 I CA 1.390 62.582 61.300 -0.180 0.000 1.357 166 I CB -0.640 37.316 38.000 -0.074 0.000 1.051 166 I HN -0.124 nan 8.210 nan 0.000 0.409 167 L N -0.324 120.870 121.223 -0.049 0.000 2.191 167 L HA -0.177 4.163 4.340 0.000 0.000 0.212 167 L C 2.254 179.101 176.870 -0.039 0.000 1.103 167 L CA 0.804 55.625 54.840 -0.032 0.000 0.769 167 L CB -0.388 41.670 42.059 -0.002 0.000 0.908 167 L HN 0.327 nan 8.230 nan 0.000 0.438 168 M N -0.674 118.902 119.600 -0.040 0.000 2.618 168 M HA 0.147 4.627 4.480 0.000 0.000 0.240 168 M C 1.625 177.880 176.300 -0.075 0.000 1.123 168 M CA 0.864 56.142 55.300 -0.035 0.000 1.060 168 M CB -0.699 31.901 32.600 0.000 0.000 1.535 168 M HN 0.405 nan 8.290 nan 0.000 0.507 169 G N 1.600 110.325 108.800 -0.125 0.000 2.184 169 G HA2 -0.234 3.726 3.960 0.000 0.000 0.264 169 G HA3 -0.234 3.726 3.960 0.000 0.000 0.264 169 G C 0.172 174.950 174.900 -0.203 0.000 0.975 169 G CA 0.576 45.581 45.100 -0.159 0.000 0.642 169 G HN 0.662 nan 8.290 nan 0.000 0.536 170 S N -2.327 113.243 115.700 -0.217 0.000 2.537 170 S HA 0.516 4.986 4.470 0.000 0.000 0.271 170 S C 0.312 174.803 174.600 -0.182 0.000 1.148 170 S CA -0.157 57.907 58.200 -0.225 0.000 0.868 170 S CB 0.570 63.723 63.200 -0.079 0.000 1.115 170 S HN 0.393 nan 8.310 nan 0.000 0.461 171 W N 1.580 122.873 121.300 -0.011 0.000 2.421 171 W HA -0.048 4.612 4.660 0.000 0.000 0.270 171 W C 2.543 178.904 176.519 -0.264 0.000 1.233 171 W CA 0.721 58.004 57.345 -0.103 0.000 1.226 171 W CB -0.175 29.238 29.460 -0.079 0.000 1.121 171 W HN 0.918 nan 8.180 nan 0.000 0.579 172 S N -0.082 115.638 115.700 0.034 0.000 2.469 172 S HA -0.163 4.307 4.470 0.000 0.000 0.238 172 S C 1.367 175.996 174.600 0.048 0.000 0.998 172 S CA 1.046 59.232 58.200 -0.022 0.000 0.957 172 S CB -0.275 62.937 63.200 0.019 0.000 0.764 172 S HN 0.248 nan 8.310 nan 0.000 0.514 173 E N 1.575 121.833 120.200 0.097 0.000 2.482 173 E HA 0.310 4.660 4.350 0.000 0.000 0.196 173 E C 0.996 177.809 176.600 0.355 0.000 1.047 173 E CA 0.448 56.987 56.400 0.231 0.000 0.869 173 E CB -0.212 29.599 29.700 0.184 0.000 0.836 173 E HN 0.718 nan 8.360 nan 0.000 0.520 174 A N 0.840 123.743 122.820 0.137 0.000 2.272 174 A HA 0.361 4.681 4.320 0.000 0.000 0.275 174 A C 0.324 177.762 177.584 -0.242 0.000 1.096 174 A CA -0.484 51.562 52.037 0.015 0.000 0.822 174 A CB 0.694 19.766 19.000 0.120 0.000 1.088 174 A HN -0.039 nan 8.150 nan 0.000 0.495 175 V N 2.385 121.975 119.914 -0.541 0.000 2.546 175 V HA 0.339 4.459 4.120 0.000 0.000 0.284 175 V C -1.869 174.006 176.094 -0.366 0.000 1.050 175 V CA -1.145 60.581 62.300 -0.956 0.000 0.981 175 V CB 1.015 32.242 31.823 -0.994 0.000 0.990 175 V HN 0.862 nan 8.190 nan 0.000 0.474 176 P HA 0.233 nan 4.420 nan 0.000 0.276 176 P C -1.490 175.796 177.300 -0.023 0.000 1.244 176 P CA -0.423 62.665 63.100 -0.020 0.000 0.801 176 P CB 0.550 32.312 31.700 0.102 0.000 1.006 177 Y N 0.249 120.755 120.300 0.342 0.000 2.454 177 Y HA 0.599 5.149 4.550 0.000 0.000 0.345 177 Y C 1.275 177.368 175.900 0.322 0.000 0.970 177 Y CA 0.399 58.641 58.100 0.236 0.000 1.204 177 Y CB 0.637 39.177 38.460 0.133 0.000 1.122 177 Y HN 0.609 nan 8.280 nan 0.000 0.514 178 G N 2.459 111.489 108.800 0.385 0.000 2.473 178 G HA2 0.262 4.222 3.960 0.000 0.000 0.298 178 G HA3 0.262 4.222 3.960 0.000 0.000 0.298 178 G C -0.227 174.793 174.900 0.200 0.000 1.575 178 G CA -0.766 44.568 45.100 0.390 0.000 0.846 178 G HN 0.301 nan 8.290 nan 0.000 0.585 179 I N 0.860 121.468 120.570 0.064 0.000 2.141 179 I HA 0.039 4.209 4.170 0.000 0.000 0.236 179 I C 2.536 178.732 176.117 0.131 0.000 1.071 179 I CA 1.268 62.513 61.300 -0.092 0.000 1.345 179 I CB -0.916 36.721 38.000 -0.604 0.000 1.066 179 I HN 0.470 nan 8.210 nan 0.000 0.406 180 F N 1.954 121.863 119.950 -0.068 0.000 2.146 180 F HA -0.158 4.369 4.527 0.000 0.000 0.298 180 F C 3.045 178.873 175.800 0.046 0.000 1.096 180 F CA 1.253 59.205 58.000 -0.080 0.000 1.275 180 F CB -1.713 37.134 39.000 -0.255 0.000 1.008 180 F HN 0.175 nan 8.300 nan 0.000 0.480 181 S N 0.097 115.968 115.700 0.285 0.000 2.383 181 S HA -0.279 4.192 4.470 0.000 0.000 0.229 181 S C 2.106 176.899 174.600 0.321 0.000 1.030 181 S CA 1.627 59.990 58.200 0.273 0.000 1.002 181 S CB -1.251 62.111 63.200 0.270 0.000 0.829 181 S HN 0.655 nan 8.310 nan 0.000 0.467 182 H N 2.239 121.418 119.070 0.181 0.000 2.462 182 H HA 0.159 4.715 4.556 0.000 0.000 0.292 182 H C 1.932 177.399 175.328 0.231 0.000 1.049 182 H CA 1.216 57.369 56.048 0.175 0.000 1.334 182 H CB -0.744 29.072 29.762 0.090 0.000 1.404 182 H HN 0.456 nan 8.280 nan 0.000 0.544 183 L N 0.793 121.914 121.223 -0.171 0.000 2.017 183 L HA -0.159 4.181 4.340 0.000 0.000 0.208 183 L C 2.344 179.226 176.870 0.020 0.000 1.073 183 L CA 1.513 56.263 54.840 -0.151 0.000 0.745 183 L CB -0.395 41.623 42.059 -0.067 0.000 0.894 183 L HN 0.152 nan 8.230 nan 0.000 0.432 184 D N -0.705 119.747 120.400 0.086 0.000 2.123 184 D HA -0.245 4.395 4.640 0.000 0.000 0.196 184 D C 1.719 178.101 176.300 0.138 0.000 0.992 184 D CA 1.172 55.224 54.000 0.087 0.000 0.833 184 D CB -0.350 40.511 40.800 0.101 0.000 0.954 184 D HN 0.401 nan 8.370 nan 0.000 0.455 185 W N 1.719 123.043 121.300 0.039 0.000 2.318 185 W HA -0.250 4.410 4.660 0.000 0.000 0.313 185 W C 2.312 178.877 176.519 0.077 0.000 1.221 185 W CA 2.464 59.851 57.345 0.070 0.000 1.266 185 W CB -0.476 29.037 29.460 0.088 0.000 1.150 185 W HN -0.124 nan 8.180 nan 0.000 0.496 186 T N 0.230 114.991 114.554 0.346 0.000 2.746 186 T HA -0.296 4.054 4.350 0.000 0.000 0.267 186 T C 1.414 176.123 174.700 0.016 0.000 1.039 186 T CA 1.770 63.980 62.100 0.184 0.000 1.142 186 T CB -0.705 68.241 68.868 0.129 0.000 0.866 186 T HN 0.252 nan 8.240 nan 0.000 0.444 187 N N 1.501 120.198 118.700 -0.005 0.000 2.084 187 N HA -0.113 4.628 4.740 0.000 0.000 0.190 187 N C 1.687 177.154 175.510 -0.071 0.000 1.030 187 N CA 1.786 54.808 53.050 -0.046 0.000 0.849 187 N CB -0.506 37.954 38.487 -0.045 0.000 1.012 187 N HN 0.440 nan 8.380 nan 0.000 0.423 188 N N -1.054 117.590 118.700 -0.094 0.000 2.120 188 N HA -0.161 4.579 4.740 0.000 0.000 0.188 188 N C 1.642 177.032 175.510 -0.200 0.000 1.024 188 N CA 1.041 54.002 53.050 -0.147 0.000 0.852 188 N CB -0.463 37.933 38.487 -0.153 0.000 1.003 188 N HN 0.266 nan 8.380 nan 0.000 0.424 189 F N 0.642 120.317 119.950 -0.459 0.000 2.115 189 F HA -0.228 4.299 4.527 0.000 0.000 0.300 189 F C 2.699 178.443 175.800 -0.094 0.000 1.092 189 F CA 1.793 59.554 58.000 -0.399 0.000 1.245 189 F CB -0.704 37.890 39.000 -0.677 0.000 0.995 189 F HN 0.128 nan 8.300 nan 0.000 0.481 190 S N -0.034 115.720 115.700 0.092 0.000 2.357 190 S HA -0.109 4.361 4.470 0.000 0.000 0.221 190 S C 2.160 176.736 174.600 -0.040 0.000 1.031 190 S CA 1.155 59.378 58.200 0.039 0.000 0.982 190 S CB -0.533 62.616 63.200 -0.085 0.000 0.853 190 S HN 0.417 nan 8.310 nan 0.000 0.458 191 L N 1.111 122.280 121.223 -0.091 0.000 2.013 191 L HA -0.102 4.238 4.340 0.000 0.000 0.212 191 L C 2.438 179.226 176.870 -0.137 0.000 1.073 191 L CA 1.329 56.109 54.840 -0.101 0.000 0.753 191 L CB -0.631 41.363 42.059 -0.108 0.000 0.890 191 L HN 0.259 nan 8.230 nan 0.000 0.432 192 V N -1.526 118.240 119.914 -0.247 0.000 3.129 192 V HA -0.184 3.936 4.120 0.000 0.000 0.259 192 V C 0.924 176.698 176.094 -0.532 0.000 1.116 192 V CA 1.148 63.211 62.300 -0.395 0.000 1.127 192 V CB -0.683 30.828 31.823 -0.519 0.000 0.742 192 V HN 0.464 nan 8.190 nan 0.000 0.474 193 H N -0.310 118.640 119.070 -0.199 0.000 2.524 193 H HA 0.453 5.009 4.556 0.000 0.000 0.297 193 H C 1.464 176.850 175.328 0.096 0.000 1.115 193 H CA 0.452 56.436 56.048 -0.106 0.000 1.027 193 H CB 0.079 29.764 29.762 -0.128 0.000 1.591 193 H HN 0.338 nan 8.280 nan 0.000 0.543 194 G N 1.703 110.583 108.800 0.133 0.000 2.179 194 G HA2 -0.386 3.574 3.960 0.000 0.000 0.257 194 G HA3 -0.386 3.574 3.960 0.000 0.000 0.257 194 G C -0.236 174.886 174.900 0.369 0.000 1.010 194 G CA 0.285 45.520 45.100 0.225 0.000 0.736 194 G HN 0.694 nan 8.290 nan 0.000 0.513 195 N N -2.577 116.268 118.700 0.241 0.000 4.073 195 N HA -0.131 4.609 4.740 0.000 0.000 0.298 195 N C 0.627 176.220 175.510 0.138 0.000 2.176 195 N CA 0.778 53.912 53.050 0.140 0.000 2.735 195 N CB -1.076 37.518 38.487 0.178 0.000 0.403 195 N HN 0.562 nan 8.380 nan 0.000 0.602 196 L N 4.198 125.334 121.223 -0.144 0.000 2.478 196 L HA 0.236 4.576 4.340 0.000 0.000 0.223 196 L C 1.672 178.348 176.870 -0.323 0.000 1.140 196 L CA 0.929 55.585 54.840 -0.307 0.000 0.842 196 L CB -0.447 41.296 42.059 -0.526 0.000 0.953 196 L HN 0.631 nan 8.230 nan 0.000 0.452 197 F N -1.624 118.158 119.950 -0.280 0.000 2.408 197 F HA -0.185 4.342 4.527 0.000 0.000 0.300 197 F C 1.681 177.361 175.800 -0.200 0.000 1.090 197 F CA 0.676 58.551 58.000 -0.209 0.000 1.427 197 F CB -0.954 37.874 39.000 -0.287 0.000 1.070 197 F HN 0.162 nan 8.300 nan 0.000 0.549 198 Y N -1.320 119.134 120.300 0.257 0.000 2.490 198 Y HA 0.072 4.622 4.550 0.000 0.000 0.281 198 Y C 1.094 177.096 175.900 0.169 0.000 1.174 198 Y CA -0.423 57.850 58.100 0.289 0.000 1.295 198 Y CB -0.600 38.121 38.460 0.435 0.000 1.062 198 Y HN -0.149 nan 8.280 nan 0.000 0.522 199 N N 2.555 121.202 118.700 -0.088 0.000 2.408 199 N HA 0.052 4.792 4.740 0.000 0.000 0.257 199 N C -1.851 173.454 175.510 -0.343 0.000 1.064 199 N CA -2.036 50.564 53.050 -0.749 0.000 0.952 199 N CB 1.339 38.978 38.487 -1.413 0.000 1.093 199 N HN -0.006 nan 8.380 nan 0.000 0.490 200 P HA -0.123 nan 4.420 nan 0.000 0.216 200 P C 1.141 178.253 177.300 -0.314 0.000 1.150 200 P CA 1.222 64.192 63.100 -0.217 0.000 0.837 200 P CB 0.020 31.592 31.700 -0.214 0.000 0.786 201 F N -0.687 119.159 119.950 -0.172 0.000 2.186 201 F HA -0.140 4.387 4.527 0.000 0.000 0.299 201 F C 2.887 178.660 175.800 -0.045 0.000 1.090 201 F CA 1.167 59.122 58.000 -0.075 0.000 1.307 201 F CB -1.530 37.425 39.000 -0.074 0.000 1.019 201 F HN 0.095 nan 8.300 nan 0.000 0.489 202 H N 0.115 119.161 119.070 -0.039 0.000 2.319 202 H HA -0.140 4.416 4.556 0.000 0.000 0.299 202 H C 2.421 177.735 175.328 -0.024 0.000 1.092 202 H CA 1.610 57.637 56.048 -0.034 0.000 1.302 202 H CB -0.517 29.193 29.762 -0.087 0.000 1.373 202 H HN 0.341 nan 8.280 nan 0.000 0.497 203 G N 0.875 109.663 108.800 -0.020 0.000 2.418 203 G HA2 -0.200 3.761 3.960 0.000 0.000 0.217 203 G HA3 -0.200 3.761 3.960 0.000 0.000 0.217 203 G C 2.054 176.851 174.900 -0.171 0.000 1.158 203 G CA 0.705 45.745 45.100 -0.101 0.000 0.771 203 G HN 0.338 nan 8.290 nan 0.000 0.545 204 L N 0.383 121.540 121.223 -0.110 0.000 2.046 204 L HA -0.076 4.264 4.340 0.000 0.000 0.208 204 L C 3.112 179.960 176.870 -0.036 0.000 1.077 204 L CA 1.223 55.995 54.840 -0.113 0.000 0.747 204 L CB -0.472 41.643 42.059 0.093 0.000 0.896 204 L HN 0.291 nan 8.230 nan 0.000 0.432 205 S N 0.136 115.875 115.700 0.066 0.000 2.359 205 S HA -0.188 4.282 4.470 0.000 0.000 0.224 205 S C 1.966 176.525 174.600 -0.068 0.000 1.035 205 S CA 1.423 59.684 58.200 0.102 0.000 1.018 205 S CB -0.252 62.959 63.200 0.020 0.000 0.876 205 S HN 0.270 nan 8.310 nan 0.000 0.448 206 I N 1.412 121.806 120.570 -0.292 0.000 2.226 206 I HA -0.201 3.969 4.170 0.000 0.000 0.245 206 I C 2.692 178.496 176.117 -0.521 0.000 1.100 206 I CA 1.088 62.083 61.300 -0.509 0.000 1.374 206 I CB -0.512 37.106 38.000 -0.636 0.000 1.057 206 I HN 0.340 nan 8.210 nan 0.000 0.413 207 A N 0.831 123.413 122.820 -0.398 0.000 1.917 207 A HA -0.231 4.089 4.320 0.000 0.000 0.219 207 A C 2.040 179.475 177.584 -0.249 0.000 1.182 207 A CA 1.833 53.654 52.037 -0.361 0.000 0.633 207 A CB -0.958 17.728 19.000 -0.524 0.000 0.819 207 A HN 0.360 nan 8.150 nan 0.000 0.448 208 F N -1.197 118.753 119.950 -0.001 0.000 2.293 208 F HA 0.018 4.545 4.527 0.000 0.000 0.297 208 F C 1.961 177.808 175.800 0.078 0.000 1.089 208 F CA 0.829 58.867 58.000 0.063 0.000 1.377 208 F CB -0.579 38.472 39.000 0.085 0.000 1.051 208 F HN 0.224 nan 8.300 nan 0.000 0.511 209 L N -0.984 120.348 121.223 0.182 0.000 2.023 209 L HA -0.181 4.159 4.340 0.000 0.000 0.205 209 L C 2.220 179.240 176.870 0.250 0.000 1.073 209 L CA 1.854 56.796 54.840 0.169 0.000 0.745 209 L CB -1.124 40.980 42.059 0.075 0.000 0.900 209 L HN 0.034 nan 8.230 nan 0.000 0.435 210 Y N 0.110 120.458 120.300 0.079 0.000 2.224 210 Y HA -0.061 4.489 4.550 0.000 0.000 0.289 210 Y C 2.557 178.504 175.900 0.077 0.000 1.146 210 Y CA 0.834 58.970 58.100 0.061 0.000 1.182 210 Y CB -1.601 36.871 38.460 0.021 0.000 0.983 210 Y HN 0.262 nan 8.280 nan 0.000 0.524 211 G N -1.406 107.545 108.800 0.251 0.000 2.422 211 G HA2 -0.177 3.783 3.960 0.000 0.000 0.218 211 G HA3 -0.177 3.783 3.960 0.000 0.000 0.218 211 G C 1.929 176.946 174.900 0.194 0.000 1.140 211 G CA 1.033 46.249 45.100 0.193 0.000 0.775 211 G HN 0.371 nan 8.290 nan 0.000 0.545 212 S N 0.953 116.789 115.700 0.225 0.000 2.368 212 S HA 0.018 4.488 4.470 0.000 0.000 0.224 212 S C 2.780 177.516 174.600 0.226 0.000 1.029 212 S CA 1.103 59.430 58.200 0.211 0.000 0.988 212 S CB -0.282 63.047 63.200 0.215 0.000 0.838 212 S HN 0.565 nan 8.310 nan 0.000 0.462 213 A N 1.565 124.512 122.820 0.212 0.000 1.873 213 A HA -0.028 4.292 4.320 0.000 0.000 0.215 213 A C 2.108 179.784 177.584 0.154 0.000 1.186 213 A CA 1.363 53.509 52.037 0.182 0.000 0.616 213 A CB -0.855 18.231 19.000 0.143 0.000 0.823 213 A HN 0.406 nan 8.150 nan 0.000 0.442 214 L N -0.692 120.608 121.223 0.128 0.000 1.997 214 L HA -0.193 4.147 4.340 0.000 0.000 0.216 214 L C 2.259 179.181 176.870 0.087 0.000 1.074 214 L CA 2.346 57.240 54.840 0.091 0.000 0.763 214 L CB -0.663 41.438 42.059 0.069 0.000 0.890 214 L HN 0.343 nan 8.230 nan 0.000 0.434 215 L N -1.801 119.477 121.223 0.091 0.000 2.093 215 L HA -0.157 4.183 4.340 0.000 0.000 0.208 215 L C 2.166 179.136 176.870 0.167 0.000 1.085 215 L CA 1.648 56.514 54.840 0.042 0.000 0.755 215 L CB -0.850 41.218 42.059 0.014 0.000 0.904 215 L HN 0.331 nan 8.230 nan 0.000 0.435 216 F N -0.259 119.730 119.950 0.064 0.000 2.416 216 F HA 0.183 4.710 4.527 0.000 0.000 0.296 216 F C 2.321 178.168 175.800 0.078 0.000 1.099 216 F CA 0.440 58.498 58.000 0.095 0.000 1.427 216 F CB -0.811 38.248 39.000 0.098 0.000 1.079 216 F HN 0.147 nan 8.300 nan 0.000 0.536 217 A N 0.222 123.187 122.820 0.242 0.000 1.902 217 A HA -0.220 4.100 4.320 0.000 0.000 0.217 217 A C 2.333 180.003 177.584 0.144 0.000 1.181 217 A CA 1.865 53.978 52.037 0.126 0.000 0.623 217 A CB -0.687 18.368 19.000 0.091 0.000 0.818 217 A HN 0.374 nan 8.150 nan 0.000 0.443 218 M N -1.994 117.700 119.600 0.156 0.000 2.059 218 M HA -0.165 4.315 4.480 0.000 0.000 0.259 218 M C 2.339 178.758 176.300 0.198 0.000 1.072 218 M CA 2.167 57.572 55.300 0.174 0.000 1.117 218 M CB -0.553 31.999 32.600 -0.079 0.000 1.320 218 M HN 0.705 nan 8.290 nan 0.000 0.408 219 H N -0.120 119.000 119.070 0.083 0.000 2.293 219 H HA -0.068 4.488 4.556 0.000 0.000 0.300 219 H C 1.952 177.369 175.328 0.148 0.000 1.082 219 H CA 2.282 58.377 56.048 0.078 0.000 1.308 219 H CB -0.760 29.018 29.762 0.026 0.000 1.375 219 H HN 0.330 nan 8.280 nan 0.000 0.495 220 G N -0.116 108.750 108.800 0.110 0.000 2.418 220 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 220 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 220 G C 1.927 176.770 174.900 -0.095 0.000 1.158 220 G CA 1.111 46.188 45.100 -0.037 0.000 0.771 220 G HN 0.641 nan 8.290 nan 0.000 0.545 221 A N 0.031 122.828 122.820 -0.039 0.000 1.972 221 A HA 0.005 4.325 4.320 0.000 0.000 0.219 221 A C 2.509 180.029 177.584 -0.107 0.000 1.169 221 A CA 2.416 54.410 52.037 -0.072 0.000 0.635 221 A CB -0.750 18.226 19.000 -0.040 0.000 0.810 221 A HN 0.310 nan 8.150 nan 0.000 0.446 222 T N 0.282 114.796 114.554 -0.066 0.000 2.732 222 T HA -0.051 4.299 4.350 0.000 0.000 0.261 222 T C 1.809 176.454 174.700 -0.093 0.000 1.040 222 T CA 1.266 63.327 62.100 -0.065 0.000 1.145 222 T CB -0.256 68.700 68.868 0.146 0.000 0.866 222 T HN 0.278 nan 8.240 nan 0.000 0.427 223 I N 1.531 122.010 120.570 -0.151 0.000 2.194 223 I HA -0.119 4.051 4.170 0.000 0.000 0.246 223 I C 2.335 178.391 176.117 -0.102 0.000 1.093 223 I CA 1.264 62.488 61.300 -0.127 0.000 1.355 223 I CB -1.395 36.487 38.000 -0.197 0.000 1.046 223 I HN 0.275 nan 8.210 nan 0.000 0.413 224 L N 0.435 121.580 121.223 -0.131 0.000 1.994 224 L HA -0.183 4.157 4.340 0.000 0.000 0.208 224 L C 2.796 179.587 176.870 -0.133 0.000 1.071 224 L CA 1.491 56.245 54.840 -0.142 0.000 0.745 224 L CB -0.867 41.091 42.059 -0.169 0.000 0.892 224 L HN 0.190 nan 8.230 nan 0.000 0.431 225 A N 0.146 122.886 122.820 -0.133 0.000 1.986 225 A HA -0.178 4.142 4.320 0.000 0.000 0.220 225 A C 1.909 179.470 177.584 -0.039 0.000 1.171 225 A CA 2.093 54.058 52.037 -0.119 0.000 0.640 225 A CB -0.808 18.081 19.000 -0.185 0.000 0.811 225 A HN 0.406 nan 8.150 nan 0.000 0.451 226 V N -1.781 118.140 119.914 0.011 0.000 3.342 226 V HA 0.161 4.281 4.120 0.000 0.000 0.322 226 V C 1.554 177.696 176.094 0.079 0.000 1.370 226 V CA 0.891 63.297 62.300 0.177 0.000 1.170 226 V CB -0.762 31.203 31.823 0.237 0.000 1.101 226 V HN 0.591 nan 8.190 nan 0.000 0.442 227 S N 2.182 117.851 115.700 -0.051 0.000 2.447 227 S HA -0.204 4.266 4.470 0.000 0.000 0.233 227 S C 1.960 176.476 174.600 -0.140 0.000 1.006 227 S CA 1.098 59.256 58.200 -0.070 0.000 0.957 227 S CB -0.662 62.487 63.200 -0.084 0.000 0.773 227 S HN 0.865 nan 8.310 nan 0.000 0.507 228 R N 0.399 120.710 120.500 -0.314 0.000 2.285 228 R HA 0.053 4.393 4.340 0.000 0.000 0.213 228 R C 0.409 176.308 176.300 -0.669 0.000 1.068 228 R CA 1.039 56.840 56.100 -0.498 0.000 1.004 228 R CB -0.722 29.198 30.300 -0.633 0.000 0.873 228 R HN 0.575 nan 8.270 nan 0.000 0.467 229 F N 0.166 120.114 119.950 -0.003 0.000 2.668 229 F HA 0.476 5.003 4.527 0.000 0.000 0.301 229 F C 1.133 176.934 175.800 0.002 0.000 1.106 229 F CA -0.182 57.818 58.000 0.000 0.000 1.289 229 F CB 1.152 40.150 39.000 -0.004 0.000 1.006 229 F HN 0.179 nan 8.300 nan 0.000 0.535 230 G N 0.596 109.442 108.800 0.076 0.000 2.137 230 G HA2 -0.269 3.691 3.960 0.000 0.000 0.237 230 G HA3 -0.269 3.691 3.960 0.000 0.000 0.237 230 G C 1.396 176.339 174.900 0.071 0.000 1.002 230 G CA 0.112 45.250 45.100 0.062 0.000 0.702 230 G HN 0.668 nan 8.290 nan 0.000 0.515 231 G N 1.304 110.156 108.800 0.088 0.000 2.505 231 G HA2 -0.232 3.728 3.960 0.000 0.000 0.220 231 G HA3 -0.232 3.728 3.960 0.000 0.000 0.220 231 G C 1.496 176.431 174.900 0.058 0.000 1.145 231 G CA 1.673 46.822 45.100 0.081 0.000 0.761 231 G HN 0.958 nan 8.290 nan 0.000 0.571 232 E N 0.860 121.078 120.200 0.031 0.000 2.478 232 E HA -0.082 4.268 4.350 0.000 0.000 0.198 232 E C 1.003 177.624 176.600 0.034 0.000 1.046 232 E CA 0.141 56.557 56.400 0.027 0.000 0.870 232 E CB -0.197 29.501 29.700 -0.003 0.000 0.818 232 E HN 0.353 nan 8.360 nan 0.000 0.527 233 R N 1.581 122.102 120.500 0.034 0.000 3.701 233 R HA 0.147 4.487 4.340 0.000 0.000 0.210 233 R C 0.745 177.063 176.300 0.031 0.000 1.598 233 R CA -0.046 56.069 56.100 0.024 0.000 1.427 233 R CB 0.164 30.477 30.300 0.022 0.000 1.339 233 R HN 0.256 nan 8.270 nan 0.000 0.720 234 E N 0.815 121.033 120.200 0.031 0.000 2.107 234 E HA -0.150 4.201 4.350 0.000 0.000 0.191 234 E C 1.399 178.001 176.600 0.002 0.000 0.982 234 E CA 0.892 57.318 56.400 0.044 0.000 0.809 234 E CB 0.107 29.843 29.700 0.060 0.000 0.756 234 E HN 0.453 nan 8.360 nan 0.000 0.459 235 L N 0.850 122.054 121.223 -0.031 0.000 2.046 235 L HA -0.198 4.142 4.340 0.000 0.000 0.208 235 L C 2.527 179.389 176.870 -0.012 0.000 1.077 235 L CA 1.169 55.986 54.840 -0.038 0.000 0.747 235 L CB -0.207 41.821 42.059 -0.053 0.000 0.896 235 L HN 0.071 nan 8.230 nan 0.000 0.432 236 E N -0.485 119.714 120.200 -0.002 0.000 2.285 236 E HA -0.161 4.189 4.350 0.000 0.000 0.194 236 E C 2.214 178.825 176.600 0.018 0.000 0.997 236 E CA 0.729 57.133 56.400 0.006 0.000 0.845 236 E CB 0.124 29.828 29.700 0.008 0.000 0.782 236 E HN 0.330 nan 8.360 nan 0.000 0.491 237 Q N -0.300 119.517 119.800 0.028 0.000 2.172 237 Q HA -0.047 4.293 4.340 0.000 0.000 0.200 237 Q C 2.227 178.250 176.000 0.039 0.000 0.964 237 Q CA 0.800 56.627 55.803 0.040 0.000 0.855 237 Q CB 0.071 28.844 28.738 0.058 0.000 0.918 237 Q HN 0.427 nan 8.270 nan 0.000 0.444 238 I N 0.618 121.208 120.570 0.033 0.000 2.179 238 I HA -0.244 3.927 4.170 0.000 0.000 0.242 238 I C 2.215 178.345 176.117 0.021 0.000 1.088 238 I CA 1.240 62.557 61.300 0.030 0.000 1.357 238 I CB -0.285 37.723 38.000 0.014 0.000 1.051 238 I HN 0.046 nan 8.210 nan 0.000 0.409 239 A N -0.977 121.850 122.820 0.012 0.000 2.167 239 A HA -0.110 4.210 4.320 0.000 0.000 0.214 239 A C 0.566 178.158 177.584 0.013 0.000 1.151 239 A CA 1.164 53.207 52.037 0.009 0.000 0.735 239 A CB -0.090 18.912 19.000 0.003 0.000 0.802 239 A HN 0.450 nan 8.150 nan 0.000 0.467 240 D N -1.211 119.199 120.400 0.017 0.000 2.881 240 D HA 0.067 4.707 4.640 0.000 0.000 0.238 240 D C -0.438 175.875 176.300 0.020 0.000 1.368 240 D CA -0.393 53.617 54.000 0.017 0.000 0.871 240 D CB -0.119 40.690 40.800 0.015 0.000 1.516 240 D HN 0.227 nan 8.370 nan 0.000 0.544 241 R N 1.004 121.516 120.500 0.021 0.000 2.566 241 R HA 0.395 4.735 4.340 0.000 0.000 0.273 241 R C 0.315 176.624 176.300 0.014 0.000 0.981 241 R CA 0.805 56.918 56.100 0.021 0.000 1.091 241 R CB 0.372 30.684 30.300 0.020 0.000 0.924 241 R HN 0.392 nan 8.270 nan 0.000 0.411 242 G N 0.394 109.202 108.800 0.013 0.000 2.788 242 G HA2 0.108 4.068 3.960 0.000 0.000 0.293 242 G HA3 0.108 4.068 3.960 0.000 0.000 0.293 242 G C 0.381 175.262 174.900 -0.032 0.000 1.305 242 G CA -0.346 44.757 45.100 0.005 0.000 1.005 242 G HN 0.560 nan 8.290 nan 0.000 0.496 243 T N -0.297 114.218 114.554 -0.064 0.000 2.929 243 T HA -0.055 4.295 4.350 0.000 0.000 0.271 243 T C 2.540 177.071 174.700 -0.283 0.000 1.085 243 T CA 2.433 64.417 62.100 -0.194 0.000 1.125 243 T CB -0.506 68.189 68.868 -0.289 0.000 0.874 243 T HN 0.677 nan 8.240 nan 0.000 0.494 244 A N 1.110 123.862 122.820 -0.113 0.000 1.865 244 A HA 0.154 4.474 4.320 0.000 0.000 0.217 244 A C 2.736 180.311 177.584 -0.014 0.000 1.191 244 A CA 2.073 54.115 52.037 0.008 0.000 0.623 244 A CB -1.396 17.702 19.000 0.164 0.000 0.826 244 A HN 0.631 nan 8.150 nan 0.000 0.444 245 A N -0.375 122.447 122.820 0.003 0.000 1.933 245 A HA -0.166 4.154 4.320 0.000 0.000 0.218 245 A C 1.927 179.500 177.584 -0.017 0.000 1.175 245 A CA 1.680 53.730 52.037 0.021 0.000 0.628 245 A CB -0.530 18.492 19.000 0.038 0.000 0.814 245 A HN 0.663 nan 8.150 nan 0.000 0.444 246 E N -0.531 119.630 120.200 -0.065 0.000 2.072 246 E HA -0.155 4.195 4.350 0.000 0.000 0.191 246 E C 2.302 178.809 176.600 -0.155 0.000 0.985 246 E CA 1.013 57.357 56.400 -0.093 0.000 0.801 246 E CB -0.149 29.491 29.700 -0.099 0.000 0.750 246 E HN 0.555 nan 8.360 nan 0.000 0.452 247 R N 0.721 121.098 120.500 -0.204 0.000 2.092 247 R HA -0.052 4.288 4.340 0.000 0.000 0.231 247 R C 2.377 178.583 176.300 -0.158 0.000 1.119 247 R CA 1.021 56.975 56.100 -0.244 0.000 0.970 247 R CB -0.293 29.823 30.300 -0.306 0.000 0.864 247 R HN 0.092 nan 8.270 nan 0.000 0.440 248 A N 1.571 124.354 122.820 -0.062 0.000 1.865 248 A HA -0.184 4.136 4.320 0.000 0.000 0.217 248 A C 2.429 180.091 177.584 0.130 0.000 1.191 248 A CA 1.874 53.940 52.037 0.049 0.000 0.623 248 A CB -0.965 18.091 19.000 0.093 0.000 0.826 248 A HN 0.391 nan 8.150 nan 0.000 0.444 249 A N -0.632 122.223 122.820 0.058 0.000 1.917 249 A HA -0.121 4.199 4.320 0.000 0.000 0.219 249 A C 2.203 179.755 177.584 -0.054 0.000 1.182 249 A CA 1.761 53.830 52.037 0.052 0.000 0.633 249 A CB -0.614 18.393 19.000 0.012 0.000 0.819 249 A HN 0.492 nan 8.150 nan 0.000 0.448 250 L N -2.395 118.675 121.223 -0.255 0.000 2.240 250 L HA -0.027 4.313 4.340 0.000 0.000 0.211 250 L C 2.349 178.731 176.870 -0.813 0.000 1.106 250 L CA 0.808 55.254 54.840 -0.657 0.000 0.793 250 L CB -0.360 41.170 42.059 -0.882 0.000 0.927 250 L HN 0.522 nan 8.230 nan 0.000 0.446 251 F N -0.106 119.481 119.950 -0.605 0.000 2.120 251 F HA -0.283 4.244 4.527 0.000 0.000 0.300 251 F C 1.855 177.341 175.800 -0.524 0.000 1.095 251 F CA 1.827 59.476 58.000 -0.585 0.000 1.249 251 F CB -0.254 38.341 39.000 -0.675 0.000 0.995 251 F HN 0.009 nan 8.300 nan 0.000 0.480 252 W N 0.083 121.327 121.300 -0.093 0.000 2.494 252 W HA 0.082 4.742 4.660 0.000 0.000 0.286 252 W C 2.744 179.143 176.519 -0.200 0.000 1.218 252 W CA 0.782 58.048 57.345 -0.132 0.000 1.313 252 W CB -0.458 28.941 29.460 -0.102 0.000 1.105 252 W HN -0.169 nan 8.180 nan 0.000 0.561 253 R N -0.093 120.420 120.500 0.022 0.000 2.083 253 R HA -0.197 4.143 4.340 0.000 0.000 0.237 253 R C 1.874 178.292 176.300 0.197 0.000 1.137 253 R CA 2.256 58.407 56.100 0.086 0.000 0.951 253 R CB -0.692 29.651 30.300 0.071 0.000 0.851 253 R HN 0.105 nan 8.270 nan 0.000 0.434 254 W N 0.330 121.551 121.300 -0.133 0.000 2.467 254 W HA 0.030 4.690 4.660 0.000 0.000 0.275 254 W C 2.100 178.474 176.519 -0.242 0.000 1.239 254 W CA 0.940 58.178 57.345 -0.179 0.000 1.266 254 W CB -1.103 28.228 29.460 -0.216 0.000 1.112 254 W HN 0.144 nan 8.180 nan 0.000 0.576 255 T N 1.022 115.468 114.554 -0.179 0.000 2.668 255 T HA -0.138 4.212 4.350 0.000 0.000 0.258 255 T C 1.737 176.453 174.700 0.026 0.000 1.051 255 T CA 1.987 63.971 62.100 -0.192 0.000 1.155 255 T CB -0.397 68.212 68.868 -0.432 0.000 0.864 255 T HN 0.199 nan 8.240 nan 0.000 0.413 256 M N -0.631 119.039 119.600 0.116 0.000 2.313 256 M HA 0.596 5.076 4.480 0.000 0.000 0.273 256 M C 1.397 177.872 176.300 0.291 0.000 1.049 256 M CA 0.388 55.810 55.300 0.205 0.000 1.004 256 M CB 0.968 33.717 32.600 0.249 0.000 1.461 256 M HN 0.355 nan 8.290 nan 0.000 0.514 257 G N 2.062 111.004 108.800 0.237 0.000 2.175 257 G HA2 -0.244 3.716 3.960 0.000 0.000 0.244 257 G HA3 -0.244 3.716 3.960 0.000 0.000 0.244 257 G C -0.214 174.913 174.900 0.378 0.000 0.982 257 G CA 0.342 45.605 45.100 0.272 0.000 0.641 257 G HN 0.778 nan 8.290 nan 0.000 0.527 258 F N -0.241 119.770 119.950 0.102 0.000 2.745 258 F HA 0.804 5.331 4.527 0.000 0.000 0.316 258 F C -0.758 175.105 175.800 0.104 0.000 1.155 258 F CA -1.275 56.780 58.000 0.092 0.000 0.937 258 F CB 0.756 39.798 39.000 0.069 0.000 1.361 258 F HN 0.486 nan 8.300 nan 0.000 0.472 259 N N 0.804 119.463 118.700 -0.068 0.000 3.339 259 N HA 0.654 5.394 4.740 0.000 0.000 0.275 259 N C -1.969 173.541 175.510 -0.000 0.000 1.514 259 N CA -0.585 52.369 53.050 -0.160 0.000 0.879 259 N CB 1.617 40.108 38.487 0.006 0.000 1.557 259 N HN 1.110 nan 8.380 nan 0.000 0.524 260 A N -0.063 122.751 122.820 -0.010 0.000 2.282 260 A HA 0.785 5.105 4.320 0.000 0.000 0.324 260 A C 0.220 177.866 177.584 0.104 0.000 1.119 260 A CA -0.160 51.934 52.037 0.094 0.000 0.880 260 A CB 0.565 19.590 19.000 0.041 0.000 1.294 260 A HN 0.829 nan 8.150 nan 0.000 0.493 261 T N -2.246 112.382 114.554 0.124 0.000 2.948 261 T HA 0.415 4.765 4.350 0.000 0.000 0.285 261 T C 1.091 175.861 174.700 0.118 0.000 1.019 261 T CA -0.704 61.459 62.100 0.106 0.000 1.013 261 T CB 0.791 69.719 68.868 0.099 0.000 1.117 261 T HN 0.371 nan 8.240 nan 0.000 0.533 262 M N 0.250 119.926 119.600 0.125 0.000 2.159 262 M HA -0.052 4.428 4.480 0.000 0.000 0.263 262 M C 2.133 178.581 176.300 0.248 0.000 1.063 262 M CA 1.714 57.121 55.300 0.179 0.000 1.110 262 M CB -1.100 31.590 32.600 0.151 0.000 1.374 262 M HN 0.968 nan 8.290 nan 0.000 0.411 263 E N -0.675 119.628 120.200 0.171 0.000 2.042 263 E HA -0.080 4.271 4.350 0.000 0.000 0.189 263 E C 1.990 178.701 176.600 0.185 0.000 0.974 263 E CA 1.016 57.519 56.400 0.171 0.000 0.806 263 E CB -0.207 29.542 29.700 0.081 0.000 0.769 263 E HN 0.474 nan 8.360 nan 0.000 0.451 264 G N 1.649 110.529 108.800 0.132 0.000 2.475 264 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 264 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 264 G C 1.528 176.523 174.900 0.159 0.000 1.125 264 G CA 0.907 46.078 45.100 0.118 0.000 0.755 264 G HN 0.352 nan 8.290 nan 0.000 0.565 265 I N 0.650 121.279 120.570 0.099 0.000 2.335 265 I HA -0.126 4.044 4.170 0.000 0.000 0.251 265 I C 2.274 178.244 176.117 -0.244 0.000 1.129 265 I CA 1.126 62.389 61.300 -0.061 0.000 1.402 265 I CB -0.368 37.443 38.000 -0.315 0.000 1.069 265 I HN 0.305 nan 8.210 nan 0.000 0.424 266 H N -0.499 118.534 119.070 -0.062 0.000 2.502 266 H HA 0.115 4.671 4.556 0.000 0.000 0.283 266 H C 2.217 177.530 175.328 -0.024 0.000 1.015 266 H CA 0.887 56.873 56.048 -0.104 0.000 1.298 266 H CB -0.047 29.651 29.762 -0.105 0.000 1.411 266 H HN 0.279 nan 8.280 nan 0.000 0.556 267 R N -0.432 120.132 120.500 0.108 0.000 2.075 267 R HA -0.104 4.236 4.340 0.000 0.000 0.226 267 R C 1.530 177.930 176.300 0.167 0.000 1.114 267 R CA 1.202 57.378 56.100 0.125 0.000 0.972 267 R CB -0.354 29.991 30.300 0.076 0.000 0.869 267 R HN 0.367 nan 8.270 nan 0.000 0.437 268 W N 1.432 122.780 121.300 0.079 0.000 2.318 268 W HA -0.229 4.431 4.660 0.000 0.000 0.313 268 W C 2.648 179.176 176.519 0.015 0.000 1.221 268 W CA 1.310 58.686 57.345 0.052 0.000 1.266 268 W CB -0.407 29.030 29.460 -0.038 0.000 1.150 268 W HN 0.193 nan 8.180 nan 0.000 0.496 269 A N 0.294 123.188 122.820 0.123 0.000 1.851 269 A HA -0.254 4.066 4.320 0.000 0.000 0.216 269 A C 1.936 179.518 177.584 -0.003 0.000 1.195 269 A CA 1.925 53.933 52.037 -0.049 0.000 0.622 269 A CB -1.198 17.639 19.000 -0.272 0.000 0.831 269 A HN 0.362 nan 8.150 nan 0.000 0.444 270 I N -2.247 118.314 120.570 -0.016 0.000 2.361 270 I HA -0.269 3.901 4.170 0.000 0.000 0.251 270 I C 2.222 178.260 176.117 -0.132 0.000 1.133 270 I CA 1.487 62.724 61.300 -0.106 0.000 1.413 270 I CB -0.082 37.812 38.000 -0.177 0.000 1.073 270 I HN 0.623 nan 8.210 nan 0.000 0.424 271 W N -0.364 120.934 121.300 -0.003 0.000 2.494 271 W HA -0.120 4.540 4.660 0.000 0.000 0.286 271 W C 2.395 178.870 176.519 -0.074 0.000 1.218 271 W CA 0.528 57.845 57.345 -0.046 0.000 1.313 271 W CB -0.325 29.093 29.460 -0.071 0.000 1.105 271 W HN 0.105 nan 8.180 nan 0.000 0.561 272 M N 1.212 120.959 119.600 0.244 0.000 2.108 272 M HA -0.203 4.277 4.480 0.000 0.000 0.257 272 M C 1.972 178.347 176.300 0.126 0.000 1.071 272 M CA 2.468 57.901 55.300 0.222 0.000 1.093 272 M CB -0.832 31.921 32.600 0.255 0.000 1.345 272 M HN -0.029 nan 8.290 nan 0.000 0.403 273 A N -1.294 121.577 122.820 0.086 0.000 1.832 273 A HA -0.046 4.274 4.320 0.000 0.000 0.214 273 A C 2.164 179.771 177.584 0.038 0.000 1.204 273 A CA 1.614 53.696 52.037 0.075 0.000 0.606 273 A CB -1.345 17.685 19.000 0.049 0.000 0.849 273 A HN 0.324 nan 8.150 nan 0.000 0.445 274 V N 0.313 120.221 119.914 -0.010 0.000 2.439 274 V HA -0.267 3.853 4.120 0.000 0.000 0.253 274 V C 2.450 178.539 176.094 -0.009 0.000 1.074 274 V CA 2.054 64.339 62.300 -0.025 0.000 1.076 274 V CB -0.613 31.107 31.823 -0.172 0.000 0.664 274 V HN 0.543 nan 8.190 nan 0.000 0.461 275 L N -1.286 119.869 121.223 -0.115 0.000 2.395 275 L HA -0.070 4.270 4.340 0.000 0.000 0.218 275 L C 2.255 179.047 176.870 -0.130 0.000 1.130 275 L CA 0.290 54.952 54.840 -0.297 0.000 0.826 275 L CB -0.398 41.007 42.059 -1.089 0.000 0.941 275 L HN 0.195 nan 8.230 nan 0.000 0.451 276 V N 0.257 120.185 119.914 0.023 0.000 2.219 276 V HA -0.357 3.763 4.120 0.000 0.000 0.248 276 V C 2.634 178.830 176.094 0.170 0.000 1.053 276 V CA 2.749 65.154 62.300 0.176 0.000 1.009 276 V CB -1.058 30.866 31.823 0.168 0.000 0.636 276 V HN 0.663 nan 8.190 nan 0.000 0.445 277 T N -2.336 112.315 114.554 0.162 0.000 3.043 277 T HA 0.062 4.412 4.350 0.000 0.000 0.263 277 T C 1.886 176.771 174.700 0.309 0.000 1.094 277 T CA 0.582 62.802 62.100 0.199 0.000 1.127 277 T CB -0.152 68.832 68.868 0.194 0.000 0.905 277 T HN 0.222 nan 8.240 nan 0.000 0.490 278 L N 2.044 123.436 121.223 0.283 0.000 1.976 278 L HA -0.108 4.232 4.340 0.000 0.000 0.209 278 L C 3.282 180.360 176.870 0.347 0.000 1.071 278 L CA 2.420 57.458 54.840 0.330 0.000 0.746 278 L CB -1.333 40.810 42.059 0.140 0.000 0.890 278 L HN 0.546 nan 8.230 nan 0.000 0.432 279 T N -3.238 111.481 114.554 0.275 0.000 2.746 279 T HA -0.107 4.243 4.350 0.000 0.000 0.267 279 T C 1.902 176.760 174.700 0.263 0.000 1.039 279 T CA 1.047 63.354 62.100 0.345 0.000 1.142 279 T CB -0.969 68.181 68.868 0.471 0.000 0.866 279 T HN 0.381 nan 8.240 nan 0.000 0.444 280 G N 1.372 110.304 108.800 0.221 0.000 2.446 280 G HA2 0.018 3.978 3.960 0.000 0.000 0.217 280 G HA3 0.018 3.978 3.960 0.000 0.000 0.217 280 G C 1.718 176.645 174.900 0.044 0.000 1.168 280 G CA 0.714 45.894 45.100 0.133 0.000 0.771 280 G HN 0.682 nan 8.290 nan 0.000 0.551 281 G N 0.407 109.222 108.800 0.025 0.000 2.511 281 G HA2 0.014 3.974 3.960 0.000 0.000 0.217 281 G HA3 0.014 3.974 3.960 0.000 0.000 0.217 281 G C 1.721 176.514 174.900 -0.179 0.000 1.133 281 G CA 0.493 45.415 45.100 -0.297 0.000 0.792 281 G HN 0.448 nan 8.290 nan 0.000 0.539 282 I N 1.331 121.931 120.570 0.051 0.000 2.163 282 I HA -0.060 4.110 4.170 0.000 0.000 0.240 282 I C 3.121 179.074 176.117 -0.273 0.000 1.081 282 I CA 1.039 62.233 61.300 -0.176 0.000 1.353 282 I CB -0.541 37.089 38.000 -0.617 0.000 1.054 282 I HN 0.208 nan 8.210 nan 0.000 0.407 283 G N 1.721 110.390 108.800 -0.219 0.000 2.556 283 G HA2 -0.268 3.692 3.960 0.000 0.000 0.220 283 G HA3 -0.268 3.692 3.960 0.000 0.000 0.220 283 G C 1.543 176.461 174.900 0.030 0.000 1.156 283 G CA 1.013 46.090 45.100 -0.038 0.000 0.766 283 G HN 0.233 nan 8.290 nan 0.000 0.583 284 I N 0.291 120.864 120.570 0.005 0.000 2.353 284 I HA 0.005 4.175 4.170 0.000 0.000 0.248 284 I C 2.592 178.746 176.117 0.061 0.000 1.119 284 I CA 0.511 61.840 61.300 0.050 0.000 1.417 284 I CB -1.138 36.813 38.000 -0.081 0.000 1.078 284 I HN 0.162 nan 8.210 nan 0.000 0.421 285 L N 0.920 122.122 121.223 -0.036 0.000 2.131 285 L HA -0.092 4.248 4.340 0.000 0.000 0.210 285 L C 2.172 179.061 176.870 0.032 0.000 1.092 285 L CA 1.707 56.528 54.840 -0.031 0.000 0.759 285 L CB -0.531 41.492 42.059 -0.060 0.000 0.903 285 L HN 0.119 nan 8.230 nan 0.000 0.435 286 L N -1.216 120.047 121.223 0.066 0.000 2.478 286 L HA 0.041 4.381 4.340 0.000 0.000 0.223 286 L C 0.815 177.729 176.870 0.073 0.000 1.140 286 L CA -0.053 54.841 54.840 0.090 0.000 0.842 286 L CB -0.399 41.760 42.059 0.167 0.000 0.953 286 L HN 0.038 nan 8.230 nan 0.000 0.452 287 S N 0.418 116.190 115.700 0.120 0.000 2.422 287 S HA 0.411 4.881 4.470 0.000 0.000 0.283 287 S C 1.096 175.537 174.600 -0.265 0.000 1.163 287 S CA 0.351 58.513 58.200 -0.064 0.000 1.054 287 S CB 0.913 64.118 63.200 0.008 0.000 0.967 287 S HN 0.542 nan 8.310 nan 0.000 0.499 288 G N 3.073 111.762 108.800 -0.184 0.000 2.225 288 G HA2 -0.348 3.612 3.960 0.000 0.000 0.254 288 G HA3 -0.348 3.612 3.960 0.000 0.000 0.254 288 G C 0.917 175.811 174.900 -0.010 0.000 0.988 288 G CA 0.787 45.898 45.100 0.018 0.000 0.625 288 G HN 0.775 nan 8.290 nan 0.000 0.527 289 T N -2.663 111.873 114.554 -0.030 0.000 3.004 289 T HA 0.389 4.739 4.350 0.000 0.000 0.243 289 T C 2.036 176.716 174.700 -0.034 0.000 1.020 289 T CA 1.706 63.795 62.100 -0.018 0.000 1.145 289 T CB 0.168 69.036 68.868 0.000 0.000 0.876 289 T HN 0.521 nan 8.240 nan 0.000 0.449 290 V N 0.416 120.293 119.914 -0.061 0.000 3.455 290 V HA 0.378 4.498 4.120 0.000 0.000 0.250 290 V C 0.169 176.170 176.094 -0.156 0.000 1.230 290 V CA 0.039 62.295 62.300 -0.072 0.000 1.105 290 V CB 1.112 32.910 31.823 -0.043 0.000 0.850 290 V HN 0.328 nan 8.190 nan 0.000 0.461 291 V N 0.715 120.452 119.914 -0.294 0.000 2.525 291 V HA 0.430 4.551 4.120 0.000 0.000 0.299 291 V C -0.083 175.774 176.094 -0.395 0.000 1.034 291 V CA -0.456 61.547 62.300 -0.495 0.000 0.863 291 V CB 1.813 32.888 31.823 -1.246 0.000 0.999 291 V HN 0.232 nan 8.190 nan 0.000 0.423 292 D N 2.101 122.359 120.400 -0.237 0.000 2.346 292 D HA 0.078 4.718 4.640 0.000 0.000 0.206 292 D C 0.574 176.803 176.300 -0.118 0.000 1.001 292 D CA 0.859 54.792 54.000 -0.112 0.000 0.871 292 D CB 0.352 41.102 40.800 -0.084 0.000 0.943 292 D HN 0.474 nan 8.370 nan 0.000 0.518 293 N N -0.409 118.162 118.700 -0.215 0.000 2.599 293 N HA 0.002 4.742 4.740 0.000 0.000 0.283 293 N C -0.267 175.197 175.510 -0.076 0.000 1.160 293 N CA -0.404 52.597 53.050 -0.082 0.000 0.869 293 N CB 0.344 38.836 38.487 0.008 0.000 1.448 293 N HN -0.138 nan 8.380 nan 0.000 0.535 294 W N 1.891 123.307 121.300 0.194 0.000 2.388 294 W HA -0.101 4.559 4.660 0.000 0.000 0.294 294 W C 1.833 178.521 176.519 0.282 0.000 1.212 294 W CA 0.577 58.076 57.345 0.255 0.000 1.271 294 W CB -0.370 29.239 29.460 0.248 0.000 1.126 294 W HN 0.675 nan 8.180 nan 0.000 0.535 295 Y N 0.838 121.264 120.300 0.210 0.000 2.151 295 Y HA -0.306 4.244 4.550 0.000 0.000 0.284 295 Y C 2.167 178.004 175.900 -0.104 0.000 1.166 295 Y CA 2.072 59.981 58.100 -0.319 0.000 1.163 295 Y CB -0.794 37.430 38.460 -0.394 0.000 0.974 295 Y HN -0.198 nan 8.280 nan 0.000 0.511 296 V N -0.987 118.919 119.914 -0.014 0.000 2.307 296 V HA -0.282 3.839 4.120 0.000 0.000 0.245 296 V C 2.091 178.187 176.094 0.005 0.000 1.045 296 V CA 1.858 64.113 62.300 -0.076 0.000 1.024 296 V CB -1.128 30.710 31.823 0.024 0.000 0.651 296 V HN 0.683 nan 8.190 nan 0.000 0.449 297 W N 1.438 122.693 121.300 -0.075 0.000 2.318 297 W HA -0.185 4.475 4.660 0.000 0.000 0.313 297 W C 2.386 178.976 176.519 0.118 0.000 1.221 297 W CA 2.331 59.681 57.345 0.007 0.000 1.266 297 W CB -0.825 28.561 29.460 -0.122 0.000 1.150 297 W HN 0.272 nan 8.180 nan 0.000 0.496 298 G N -0.344 108.659 108.800 0.339 0.000 2.469 298 G HA2 -0.337 3.623 3.960 0.000 0.000 0.220 298 G HA3 -0.337 3.623 3.960 0.000 0.000 0.220 298 G C 1.397 176.223 174.900 -0.123 0.000 1.136 298 G CA 1.228 46.410 45.100 0.136 0.000 0.759 298 G HN 0.302 nan 8.290 nan 0.000 0.562 299 Q N 0.375 120.031 119.800 -0.239 0.000 2.224 299 Q HA -0.015 4.325 4.340 0.000 0.000 0.203 299 Q C 1.791 177.657 176.000 -0.224 0.000 0.970 299 Q CA 0.795 56.439 55.803 -0.266 0.000 0.865 299 Q CB -0.182 28.353 28.738 -0.338 0.000 0.922 299 Q HN 0.493 nan 8.270 nan 0.000 0.445 300 N N -0.230 118.324 118.700 -0.243 0.000 2.236 300 N HA -0.002 4.738 4.740 0.000 0.000 0.196 300 N C -0.206 174.898 175.510 -0.676 0.000 1.114 300 N CA 0.245 53.067 53.050 -0.380 0.000 0.859 300 N CB 0.564 38.843 38.487 -0.347 0.000 0.982 300 N HN 0.312 nan 8.380 nan 0.000 0.493 301 H N -0.154 118.610 119.070 -0.511 0.000 2.597 301 H HA 0.270 4.826 4.556 0.000 0.000 0.225 301 H C 0.794 175.887 175.328 -0.393 0.000 1.422 301 H CA -0.181 55.502 56.048 -0.608 0.000 1.335 301 H CB 0.631 29.590 29.762 -1.338 0.000 1.783 301 H HN 0.146 nan 8.280 nan 0.000 0.513 302 G N 0.000 108.703 108.800 -0.161 0.000 5.446 302 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 302 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 302 G CA 0.000 45.055 45.100 -0.075 0.000 0.502 302 G HN 0.000 nan 8.290 nan 0.000 0.925