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 2zh3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKVEEILEKA LELVIPDEEE VRKGREAEEE LRRRLDELGV EYVFVGSYAR DATA SEQUENCE NTWLKGSLEI DVFLLFPEEF SKEELRERGL EIGKAVLDSY EIRYAEHPYV DATA SEQUENCE HGVVKGVEVD VVPCYKLKEP KNIKSAVDRT PFHHKWLEGR IKGKENEVRL DATA SEQUENCE LKGFLKANGI YGAEYKVRGF SGYLCELLIV FYGSFLETVK NARRWTRRTV DATA SEQUENCE IDVAKGEVRK GEEFFVVDPV DEKRNVAANL SLDNLARFVH LCREFMEAPS DATA SEQUENCE LGFFKPKHPL EIEPERLRKI VEERGTAVFA VKFRKPDIVD DNLYPQLERA DATA SEQUENCE SRKIFEFLER ENFMPLRSAF KASEEFCYLL FECQIKEISR VFRRMGPQFE DATA SEQUENCE DERNVKKFLS RNRAFRPFIE NGRWWAFEMR KFTTPEEGVR SYASTHWHTL DATA SEQUENCE GKNVGESIRE YFEIISGEKL FKEPVTAELC EMMGVKD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.273 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.022 0.000 1.302 2 K N 0.611 120.984 120.400 -0.046 0.000 2.238 2 K HA 0.624 4.935 4.320 -0.015 0.000 0.239 2 K C 1.225 177.789 176.600 -0.060 0.000 0.987 2 K CA -0.379 55.868 56.287 -0.066 0.000 0.857 2 K CB 2.731 35.200 32.500 -0.052 0.000 1.154 2 K HN -0.152 nan 8.250 nan 0.000 0.439 3 V N 1.990 121.853 119.914 -0.085 0.000 2.230 3 V HA -0.396 3.715 4.120 -0.015 0.000 0.256 3 V C 1.875 177.997 176.094 0.046 0.000 1.064 3 V CA 2.489 64.773 62.300 -0.025 0.000 1.050 3 V CB -1.024 30.794 31.823 -0.008 0.000 0.666 3 V HN 0.914 nan 8.190 nan 0.000 0.457 4 E N 0.186 120.398 120.200 0.020 0.000 2.114 4 E HA -0.263 4.078 4.350 -0.015 0.000 0.199 4 E C 2.156 178.755 176.600 -0.002 0.000 1.008 4 E CA 1.557 57.965 56.400 0.013 0.000 0.810 4 E CB -0.362 29.337 29.700 -0.002 0.000 0.739 4 E HN 0.735 nan 8.360 nan 0.000 0.456 5 E N 0.935 121.131 120.200 -0.007 0.000 2.017 5 E HA -0.194 4.147 4.350 -0.015 0.000 0.193 5 E C 2.330 178.922 176.600 -0.014 0.000 0.997 5 E CA 1.105 57.497 56.400 -0.014 0.000 0.804 5 E CB -0.442 29.249 29.700 -0.015 0.000 0.757 5 E HN 0.338 nan 8.360 nan 0.000 0.448 6 I N 1.533 122.112 120.570 0.014 0.000 2.208 6 I HA -0.266 3.895 4.170 -0.015 0.000 0.245 6 I C 2.604 178.691 176.117 -0.049 0.000 1.097 6 I CA 1.036 62.359 61.300 0.038 0.000 1.363 6 I CB -0.420 37.665 38.000 0.142 0.000 1.051 6 I HN 0.000 nan 8.210 nan 0.000 0.413 7 L N -0.140 121.064 121.223 -0.031 0.000 2.131 7 L HA -0.167 4.164 4.340 -0.015 0.000 0.210 7 L C 2.615 179.371 176.870 -0.189 0.000 1.092 7 L CA 1.074 55.819 54.840 -0.158 0.000 0.759 7 L CB -0.740 41.286 42.059 -0.054 0.000 0.903 7 L HN 0.279 nan 8.230 nan 0.000 0.435 8 E N 0.950 121.083 120.200 -0.113 0.000 2.051 8 E HA -0.197 4.144 4.350 -0.015 0.000 0.192 8 E C 2.152 178.674 176.600 -0.129 0.000 0.991 8 E CA 1.284 57.621 56.400 -0.105 0.000 0.799 8 E CB -0.061 29.599 29.700 -0.066 0.000 0.748 8 E HN 0.507 nan 8.360 nan 0.000 0.449 9 K N 0.567 120.894 120.400 -0.121 0.000 2.148 9 K HA -0.024 4.287 4.320 -0.015 0.000 0.204 9 K C 2.130 178.615 176.600 -0.193 0.000 1.050 9 K CA 1.014 57.230 56.287 -0.118 0.000 0.942 9 K CB -0.088 32.367 32.500 -0.074 0.000 0.724 9 K HN 0.023 nan 8.250 nan 0.000 0.446 10 A N 1.617 124.239 122.820 -0.330 0.000 1.930 10 A HA -0.106 4.205 4.320 -0.015 0.000 0.217 10 A C 2.111 179.441 177.584 -0.423 0.000 1.175 10 A CA 1.089 52.779 52.037 -0.578 0.000 0.627 10 A CB -0.645 17.593 19.000 -1.269 0.000 0.815 10 A HN 0.158 nan 8.150 nan 0.000 0.443 11 L N -0.780 120.249 121.223 -0.323 0.000 2.081 11 L HA -0.253 4.078 4.340 -0.015 0.000 0.212 11 L C 2.496 179.264 176.870 -0.171 0.000 1.080 11 L CA 1.860 56.561 54.840 -0.231 0.000 0.754 11 L CB -0.483 41.471 42.059 -0.176 0.000 0.893 11 L HN 0.522 nan 8.230 nan 0.000 0.433 12 E N 0.144 120.255 120.200 -0.148 0.000 2.333 12 E HA -0.173 4.168 4.350 -0.015 0.000 0.198 12 E C 1.918 178.469 176.600 -0.082 0.000 1.007 12 E CA 0.709 57.050 56.400 -0.098 0.000 0.845 12 E CB 0.107 29.759 29.700 -0.079 0.000 0.766 12 E HN 0.511 nan 8.360 nan 0.000 0.507 13 L N -0.920 120.240 121.223 -0.104 0.000 2.638 13 L HA 0.090 4.421 4.340 -0.015 0.000 0.232 13 L C 1.831 178.671 176.870 -0.051 0.000 1.099 13 L CA 0.024 54.829 54.840 -0.058 0.000 0.883 13 L CB 0.634 42.671 42.059 -0.038 0.000 1.136 13 L HN 0.117 nan 8.230 nan 0.000 0.492 14 V N -3.815 116.041 119.914 -0.096 0.000 3.307 14 V HA 0.265 4.376 4.120 -0.015 0.000 0.244 14 V C 1.100 177.118 176.094 -0.126 0.000 1.196 14 V CA -0.123 62.122 62.300 -0.093 0.000 1.132 14 V CB 0.156 31.911 31.823 -0.114 0.000 0.875 14 V HN 0.048 nan 8.190 nan 0.000 0.468 15 I N 3.075 123.559 120.570 -0.144 0.000 2.416 15 I HA 0.337 4.498 4.170 -0.015 0.000 0.288 15 I C -2.318 173.714 176.117 -0.142 0.000 1.051 15 I CA -1.736 59.456 61.300 -0.181 0.000 1.375 15 I CB 0.938 38.840 38.000 -0.163 0.000 1.407 15 I HN 0.115 nan 8.210 nan 0.000 0.516 16 P HA 0.012 nan 4.420 nan 0.000 0.268 16 P C -1.095 176.198 177.300 -0.012 0.000 1.204 16 P CA -0.234 62.836 63.100 -0.049 0.000 0.768 16 P CB 0.309 31.988 31.700 -0.035 0.000 0.842 17 D N 1.323 121.745 120.400 0.037 0.000 2.344 17 D HA 0.009 4.640 4.640 -0.015 0.000 0.244 17 D C 0.933 177.271 176.300 0.064 0.000 1.134 17 D CA -0.353 53.667 54.000 0.033 0.000 0.930 17 D CB 0.308 41.129 40.800 0.034 0.000 1.175 17 D HN 0.368 nan 8.370 nan 0.000 0.437 18 E N -0.043 120.187 120.200 0.049 0.000 2.136 18 E HA -0.267 4.074 4.350 -0.015 0.000 0.202 18 E C 1.602 178.255 176.600 0.088 0.000 1.019 18 E CA 1.615 58.054 56.400 0.065 0.000 0.819 18 E CB 0.016 29.742 29.700 0.043 0.000 0.739 18 E HN 0.551 nan 8.360 nan 0.000 0.458 19 E N 0.692 120.939 120.200 0.078 0.000 2.153 19 E HA -0.228 4.113 4.350 -0.015 0.000 0.194 19 E C 1.824 178.489 176.600 0.109 0.000 0.988 19 E CA 1.073 57.521 56.400 0.080 0.000 0.811 19 E CB -0.308 29.430 29.700 0.063 0.000 0.746 19 E HN 0.458 nan 8.360 nan 0.000 0.466 20 E N 0.936 121.224 120.200 0.146 0.000 2.158 20 E HA -0.069 4.272 4.350 -0.015 0.000 0.191 20 E C 2.075 178.853 176.600 0.298 0.000 0.982 20 E CA 0.504 57.029 56.400 0.208 0.000 0.823 20 E CB 0.319 30.174 29.700 0.258 0.000 0.766 20 E HN 0.034 nan 8.360 nan 0.000 0.468 21 V N 1.469 121.568 119.914 0.308 0.000 2.244 21 V HA -0.246 3.865 4.120 -0.015 0.000 0.244 21 V C 2.627 178.877 176.094 0.260 0.000 1.042 21 V CA 2.173 64.702 62.300 0.381 0.000 1.006 21 V CB -0.677 31.298 31.823 0.253 0.000 0.641 21 V HN 0.306 nan 8.190 nan 0.000 0.446 22 R N 0.635 121.235 120.500 0.166 0.000 2.094 22 R HA -0.279 4.052 4.340 -0.015 0.000 0.239 22 R C 2.412 178.772 176.300 0.101 0.000 1.137 22 R CA 2.474 58.644 56.100 0.117 0.000 0.943 22 R CB -0.421 29.928 30.300 0.082 0.000 0.850 22 R HN 0.475 nan 8.270 nan 0.000 0.433 23 K N -0.706 119.749 120.400 0.092 0.000 2.089 23 K HA -0.152 4.159 4.320 -0.015 0.000 0.210 23 K C 1.946 178.559 176.600 0.023 0.000 1.048 23 K CA 1.930 58.249 56.287 0.053 0.000 0.926 23 K CB -0.438 32.094 32.500 0.054 0.000 0.714 23 K HN 0.434 nan 8.250 nan 0.000 0.448 24 G N 0.593 109.423 108.800 0.049 0.000 2.394 24 G HA2 -0.183 3.768 3.960 -0.015 0.000 0.215 24 G HA3 -0.183 3.768 3.960 -0.015 0.000 0.215 24 G C 1.409 176.331 174.900 0.037 0.000 1.165 24 G CA 0.121 45.191 45.100 -0.051 0.000 0.784 24 G HN 0.164 nan 8.290 nan 0.000 0.535 25 R N 0.646 121.249 120.500 0.172 0.000 2.083 25 R HA -0.056 4.275 4.340 -0.015 0.000 0.237 25 R C 2.363 178.710 176.300 0.078 0.000 1.137 25 R CA 1.319 57.521 56.100 0.170 0.000 0.951 25 R CB -0.629 29.762 30.300 0.151 0.000 0.851 25 R HN 0.492 nan 8.270 nan 0.000 0.434 26 E N 0.265 120.496 120.200 0.051 0.000 2.110 26 E HA -0.143 4.197 4.350 -0.015 0.000 0.193 26 E C 1.925 178.527 176.600 0.003 0.000 0.988 26 E CA 1.196 57.611 56.400 0.025 0.000 0.804 26 E CB -0.030 29.683 29.700 0.022 0.000 0.745 26 E HN 0.345 nan 8.360 nan 0.000 0.458 27 A N 1.272 124.079 122.820 -0.022 0.000 1.930 27 A HA -0.199 4.112 4.320 -0.015 0.000 0.215 27 A C 2.030 179.600 177.584 -0.024 0.000 1.176 27 A CA 1.371 53.378 52.037 -0.049 0.000 0.632 27 A CB -0.354 18.582 19.000 -0.107 0.000 0.819 27 A HN 0.308 nan 8.150 nan 0.000 0.445 28 E N 0.143 120.337 120.200 -0.009 0.000 2.077 28 E HA -0.284 4.057 4.350 -0.015 0.000 0.193 28 E C 1.872 178.492 176.600 0.033 0.000 0.989 28 E CA 1.646 58.089 56.400 0.072 0.000 0.800 28 E CB -0.219 29.541 29.700 0.100 0.000 0.746 28 E HN 0.551 nan 8.360 nan 0.000 0.452 29 E N 1.055 121.263 120.200 0.013 0.000 2.023 29 E HA -0.271 4.070 4.350 -0.015 0.000 0.196 29 E C 1.981 178.588 176.600 0.011 0.000 1.003 29 E CA 1.938 58.342 56.400 0.005 0.000 0.809 29 E CB -0.362 29.345 29.700 0.011 0.000 0.755 29 E HN 0.299 nan 8.360 nan 0.000 0.449 30 E N -0.264 119.940 120.200 0.006 0.000 2.118 30 E HA -0.166 4.175 4.350 -0.015 0.000 0.195 30 E C 1.903 178.499 176.600 -0.007 0.000 0.992 30 E CA 1.059 57.457 56.400 -0.002 0.000 0.804 30 E CB -0.538 29.155 29.700 -0.011 0.000 0.741 30 E HN 0.362 nan 8.360 nan 0.000 0.458 31 L N 0.503 121.730 121.223 0.008 0.000 2.093 31 L HA -0.046 4.285 4.340 -0.015 0.000 0.208 31 L C 2.126 178.984 176.870 -0.020 0.000 1.085 31 L CA 1.621 56.459 54.840 -0.003 0.000 0.755 31 L CB -0.425 41.667 42.059 0.055 0.000 0.904 31 L HN 0.038 nan 8.230 nan 0.000 0.435 32 R N -0.246 120.278 120.500 0.040 0.000 2.070 32 R HA -0.109 4.222 4.340 -0.015 0.000 0.233 32 R C 2.294 178.613 176.300 0.031 0.000 1.137 32 R CA 1.603 57.727 56.100 0.041 0.000 0.945 32 R CB -0.551 29.793 30.300 0.074 0.000 0.845 32 R HN 0.410 nan 8.270 nan 0.000 0.430 33 R N 0.327 120.841 120.500 0.024 0.000 2.096 33 R HA -0.132 4.199 4.340 -0.015 0.000 0.240 33 R C 2.455 178.758 176.300 0.005 0.000 1.139 33 R CA 1.647 57.760 56.100 0.021 0.000 0.952 33 R CB -0.309 29.998 30.300 0.011 0.000 0.854 33 R HN 0.235 nan 8.270 nan 0.000 0.436 34 R N 0.378 120.865 120.500 -0.021 0.000 2.075 34 R HA -0.079 4.252 4.340 -0.015 0.000 0.232 34 R C 2.365 178.638 176.300 -0.046 0.000 1.126 34 R CA 1.163 57.242 56.100 -0.035 0.000 0.963 34 R CB -0.357 29.911 30.300 -0.053 0.000 0.858 34 R HN 0.212 nan 8.270 nan 0.000 0.435 35 L N 0.650 121.819 121.223 -0.090 0.000 2.093 35 L HA -0.164 4.167 4.340 -0.015 0.000 0.208 35 L C 1.693 178.599 176.870 0.059 0.000 1.085 35 L CA 1.092 55.870 54.840 -0.104 0.000 0.755 35 L CB -0.279 41.511 42.059 -0.448 0.000 0.904 35 L HN 0.123 nan 8.230 nan 0.000 0.435 36 D N -0.456 120.008 120.400 0.107 0.000 2.178 36 D HA -0.190 4.441 4.640 -0.015 0.000 0.202 36 D C 1.974 178.313 176.300 0.066 0.000 0.974 36 D CA 0.809 54.889 54.000 0.134 0.000 0.841 36 D CB 0.024 40.900 40.800 0.127 0.000 0.953 36 D HN 0.184 nan 8.370 nan 0.000 0.478 37 E N 0.410 120.633 120.200 0.037 0.000 2.409 37 E HA -0.056 4.285 4.350 -0.015 0.000 0.198 37 E C 1.502 178.113 176.600 0.018 0.000 1.024 37 E CA 0.459 56.872 56.400 0.022 0.000 0.861 37 E CB -0.116 29.590 29.700 0.009 0.000 0.788 37 E HN 0.303 nan 8.360 nan 0.000 0.521 38 L N -1.694 119.543 121.223 0.023 0.000 2.766 38 L HA 0.375 4.706 4.340 -0.015 0.000 0.242 38 L C 1.072 177.959 176.870 0.029 0.000 1.136 38 L CA 0.049 54.900 54.840 0.018 0.000 0.933 38 L CB 0.021 42.084 42.059 0.007 0.000 1.241 38 L HN 0.176 nan 8.230 nan 0.000 0.522 39 G N 2.015 110.842 108.800 0.045 0.000 2.371 39 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.299 39 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.299 39 G C -0.068 174.857 174.900 0.041 0.000 1.014 39 G CA 0.083 45.209 45.100 0.044 0.000 1.097 39 G HN 0.133 nan 8.290 nan 0.000 0.512 40 V N -0.000 119.968 119.914 0.091 0.000 2.481 40 V HA 0.395 4.506 4.120 -0.015 0.000 0.286 40 V C 0.743 176.901 176.094 0.107 0.000 1.042 40 V CA -0.519 61.827 62.300 0.077 0.000 0.928 40 V CB 1.892 33.767 31.823 0.085 0.000 0.986 40 V HN 0.568 nan 8.190 nan 0.000 0.462 41 E N 4.643 124.802 120.200 -0.068 0.000 2.129 41 E HA 0.395 4.736 4.350 -0.015 0.000 0.283 41 E C -1.283 175.250 176.600 -0.111 0.000 1.080 41 E CA -0.342 55.960 56.400 -0.163 0.000 0.867 41 E CB 0.412 29.979 29.700 -0.223 0.000 1.056 41 E HN 0.668 nan 8.360 nan 0.000 0.404 42 Y N 1.208 121.458 120.300 -0.085 0.000 2.615 42 Y HA 0.715 5.256 4.550 -0.015 0.000 0.341 42 Y C -1.637 174.285 175.900 0.037 0.000 1.089 42 Y CA -1.420 56.652 58.100 -0.046 0.000 1.049 42 Y CB 1.322 39.767 38.460 -0.027 0.000 1.296 42 Y HN 0.127 nan 8.280 nan 0.000 0.470 43 V N 3.038 123.099 119.914 0.246 0.000 2.655 43 V HA 0.473 4.584 4.120 -0.015 0.000 0.301 43 V C -1.707 174.538 176.094 0.252 0.000 1.082 43 V CA -0.889 61.540 62.300 0.216 0.000 0.899 43 V CB 1.006 32.862 31.823 0.055 0.000 1.014 43 V HN 0.684 nan 8.190 nan 0.000 0.429 44 F N 6.570 126.572 119.950 0.087 0.000 2.495 44 F HA 0.546 5.063 4.527 -0.016 0.000 0.365 44 F C 0.699 176.337 175.800 -0.270 0.000 1.090 44 F CA 0.570 58.579 58.000 0.016 0.000 1.235 44 F CB 1.331 40.395 39.000 0.105 0.000 1.119 44 F HN 0.539 nan 8.300 nan 0.000 0.562 45 V N 0.192 119.987 119.914 -0.199 0.000 3.119 45 V HA 1.049 5.160 4.120 -0.015 0.000 0.309 45 V C 0.230 176.226 176.094 -0.162 0.000 1.304 45 V CA -0.628 61.346 62.300 -0.543 0.000 1.057 45 V CB 0.941 32.385 31.823 -0.631 0.000 1.150 45 V HN 1.323 nan 8.190 nan 0.000 0.474 46 G N 0.491 109.250 108.800 -0.067 0.000 2.828 46 G HA2 -0.072 3.878 3.960 -0.015 0.000 0.463 46 G HA3 -0.072 3.878 3.960 -0.015 0.000 0.463 46 G C 0.734 175.770 174.900 0.227 0.000 1.394 46 G CA 0.630 45.793 45.100 0.105 0.000 0.862 46 G HN 2.448 nan 8.290 nan 0.000 0.540 47 S N -1.326 114.540 115.700 0.278 0.000 2.440 47 S HA -0.231 4.230 4.470 -0.015 0.000 0.240 47 S C 1.922 176.786 174.600 0.440 0.000 1.014 47 S CA 2.348 60.759 58.200 0.352 0.000 0.980 47 S CB -0.319 63.120 63.200 0.397 0.000 0.775 47 S HN 1.493 nan 8.310 nan 0.000 0.499 48 Y N 2.430 122.903 120.300 0.289 0.000 2.220 48 Y HA 0.250 4.791 4.550 -0.015 0.000 0.291 48 Y C 2.575 178.652 175.900 0.295 0.000 1.129 48 Y CA 0.604 58.850 58.100 0.244 0.000 1.161 48 Y CB -0.932 37.487 38.460 -0.068 0.000 0.997 48 Y HN 0.296 nan 8.280 nan 0.000 0.522 49 A N 0.661 123.579 122.820 0.164 0.000 1.972 49 A HA -0.154 4.157 4.320 -0.015 0.000 0.219 49 A C 2.016 179.669 177.584 0.115 0.000 1.169 49 A CA 1.719 53.830 52.037 0.123 0.000 0.635 49 A CB -0.462 18.628 19.000 0.149 0.000 0.810 49 A HN 0.546 nan 8.150 nan 0.000 0.446 50 R N -0.499 120.111 120.500 0.184 0.000 2.468 50 R HA 0.129 4.460 4.340 -0.015 0.000 0.280 50 R C -0.444 175.919 176.300 0.106 0.000 0.963 50 R CA 0.054 56.249 56.100 0.157 0.000 1.083 50 R CB 0.085 30.505 30.300 0.200 0.000 1.200 50 R HN 0.502 nan 8.270 nan 0.000 0.541 51 N N 1.178 119.950 118.700 0.120 0.000 2.725 51 N HA -0.163 4.568 4.740 -0.015 0.000 0.251 51 N C 0.267 175.761 175.510 -0.027 0.000 1.031 51 N CA 1.658 54.746 53.050 0.064 0.000 0.720 51 N CB -1.201 37.260 38.487 -0.043 0.000 0.930 51 N HN 0.479 nan 8.380 nan 0.000 0.543 52 T N -5.024 109.603 114.554 0.122 0.000 3.043 52 T HA 0.161 4.502 4.350 -0.015 0.000 0.272 52 T C 0.492 175.263 174.700 0.118 0.000 0.990 52 T CA -0.535 61.610 62.100 0.074 0.000 0.897 52 T CB -0.144 68.813 68.868 0.149 0.000 1.111 52 T HN 0.405 nan 8.240 nan 0.000 0.529 53 W N 2.238 123.602 121.300 0.108 0.000 2.181 53 W HA 0.601 5.253 4.660 -0.014 0.000 0.335 53 W C -0.374 176.200 176.519 0.092 0.000 1.310 53 W CA -1.792 55.633 57.345 0.133 0.000 1.226 53 W CB 0.223 29.794 29.460 0.184 0.000 1.155 53 W HN 0.009 nan 8.180 nan 0.000 0.565 54 L N 4.979 126.322 121.223 0.200 0.000 2.397 54 L HA 0.186 4.517 4.340 -0.015 0.000 0.271 54 L C 0.814 177.770 176.870 0.144 0.000 1.148 54 L CA -0.654 54.216 54.840 0.051 0.000 0.825 54 L CB 0.327 42.402 42.059 0.027 0.000 1.117 54 L HN 0.644 nan 8.230 nan 0.000 0.456 55 K N 3.915 124.324 120.400 0.016 0.000 2.491 55 K HA 0.273 4.584 4.320 -0.015 0.000 0.279 55 K C 0.905 177.610 176.600 0.175 0.000 1.026 55 K CA 1.075 57.419 56.287 0.096 0.000 1.070 55 K CB -0.200 32.312 32.500 0.021 0.000 0.887 55 K HN 0.920 nan 8.250 nan 0.000 0.481 56 G N 2.474 111.424 108.800 0.249 0.000 2.176 56 G HA2 -0.223 3.728 3.960 -0.015 0.000 0.232 56 G HA3 -0.223 3.728 3.960 -0.015 0.000 0.232 56 G C 0.137 175.162 174.900 0.208 0.000 0.986 56 G CA 0.216 45.432 45.100 0.194 0.000 0.643 56 G HN 0.573 nan 8.290 nan 0.000 0.522 57 S N 0.007 115.888 115.700 0.301 0.000 2.661 57 S HA 0.432 4.893 4.470 -0.015 0.000 0.245 57 S C 0.106 174.818 174.600 0.186 0.000 1.117 57 S CA -0.346 58.007 58.200 0.254 0.000 1.091 57 S CB 0.790 64.164 63.200 0.290 0.000 0.887 57 S HN 0.738 nan 8.310 nan 0.000 0.491 58 L N 3.228 124.484 121.223 0.055 0.000 2.477 58 L HA 0.361 4.692 4.340 -0.015 0.000 0.272 58 L C 0.084 176.821 176.870 -0.222 0.000 1.157 58 L CA 1.085 55.719 54.840 -0.342 0.000 0.889 58 L CB 0.100 41.994 42.059 -0.274 0.000 1.158 58 L HN 0.313 nan 8.230 nan 0.000 0.473 59 E N 5.180 125.222 120.200 -0.263 0.000 2.311 59 E HA 0.356 4.697 4.350 -0.015 0.000 0.281 59 E C -1.478 175.009 176.600 -0.189 0.000 0.905 59 E CA -0.606 55.708 56.400 -0.143 0.000 0.778 59 E CB 1.217 30.929 29.700 0.021 0.000 1.240 59 E HN 0.641 nan 8.360 nan 0.000 0.410 60 I N 3.426 123.838 120.570 -0.264 0.000 2.353 60 I HA 0.271 4.432 4.170 -0.015 0.000 0.293 60 I C -0.437 175.591 176.117 -0.149 0.000 0.992 60 I CA -0.515 60.623 61.300 -0.270 0.000 1.268 60 I CB 1.128 38.880 38.000 -0.414 0.000 1.387 60 I HN 0.350 nan 8.210 nan 0.000 0.478 61 D N 6.657 127.017 120.400 -0.066 0.000 2.381 61 D HA 0.331 4.962 4.640 -0.015 0.000 0.235 61 D C -0.784 175.425 176.300 -0.152 0.000 1.068 61 D CA -0.178 53.803 54.000 -0.031 0.000 0.832 61 D CB 2.772 43.621 40.800 0.083 0.000 1.101 61 D HN 0.073 nan 8.370 nan 0.000 0.515 62 V N 3.760 123.560 119.914 -0.190 0.000 2.350 62 V HA 0.291 4.401 4.120 -0.015 0.000 0.285 62 V C -0.504 175.619 176.094 0.048 0.000 1.014 62 V CA -0.720 61.403 62.300 -0.295 0.000 0.831 62 V CB 0.821 32.305 31.823 -0.564 0.000 1.000 62 V HN 0.326 nan 8.190 nan 0.000 0.433 63 F N 4.875 124.730 119.950 -0.158 0.000 2.408 63 F HA 0.559 5.077 4.527 -0.015 0.000 0.344 63 F C 0.248 176.009 175.800 -0.064 0.000 1.112 63 F CA -1.065 56.879 58.000 -0.094 0.000 1.096 63 F CB 1.497 40.448 39.000 -0.081 0.000 1.129 63 F HN 0.237 nan 8.300 nan 0.000 0.486 64 L N 5.371 126.593 121.223 -0.002 0.000 2.260 64 L HA 0.288 4.619 4.340 -0.015 0.000 0.289 64 L C -0.651 176.103 176.870 -0.193 0.000 1.057 64 L CA -0.888 53.891 54.840 -0.102 0.000 0.811 64 L CB 0.661 42.658 42.059 -0.104 0.000 1.184 64 L HN 0.296 nan 8.230 nan 0.000 0.429 65 L N 4.167 125.220 121.223 -0.283 0.000 2.349 65 L HA 0.391 4.722 4.340 -0.015 0.000 0.275 65 L C -0.412 176.098 176.870 -0.599 0.000 1.115 65 L CA 0.607 55.281 54.840 -0.276 0.000 0.820 65 L CB 0.406 42.352 42.059 -0.189 0.000 1.135 65 L HN 0.231 nan 8.230 nan 0.000 0.445 66 F N 2.985 122.782 119.950 -0.255 0.000 2.578 66 F HA 0.494 5.012 4.527 -0.015 0.000 0.311 66 F C -2.007 173.546 175.800 -0.412 0.000 1.094 66 F CA -2.211 55.513 58.000 -0.460 0.000 0.923 66 F CB 1.588 40.258 39.000 -0.550 0.000 1.230 66 F HN 0.363 nan 8.300 nan 0.000 0.450 67 P HA -0.016 nan 4.420 nan 0.000 0.265 67 P C 0.731 178.113 177.300 0.137 0.000 1.187 67 P CA 0.386 63.381 63.100 -0.175 0.000 0.766 67 P CB 0.664 32.206 31.700 -0.265 0.000 0.820 68 E N 1.632 121.964 120.200 0.220 0.000 2.130 68 E HA -0.291 4.050 4.350 -0.015 0.000 0.196 68 E C 1.048 177.835 176.600 0.312 0.000 0.998 68 E CA 1.554 58.126 56.400 0.287 0.000 0.806 68 E CB 0.064 29.842 29.700 0.130 0.000 0.738 68 E HN 0.469 nan 8.360 nan 0.000 0.459 69 E N -0.358 120.025 120.200 0.304 0.000 2.268 69 E HA -0.071 4.270 4.350 -0.015 0.000 0.195 69 E C -0.014 176.840 176.600 0.422 0.000 0.995 69 E CA 0.234 56.817 56.400 0.306 0.000 0.836 69 E CB -0.112 29.740 29.700 0.253 0.000 0.763 69 E HN 0.122 nan 8.360 nan 0.000 0.491 70 F N 1.708 121.776 119.950 0.197 0.000 2.602 70 F HA -0.029 4.489 4.527 -0.015 0.000 0.367 70 F C 1.266 177.150 175.800 0.141 0.000 1.126 70 F CA -0.801 57.263 58.000 0.108 0.000 1.321 70 F CB 0.062 39.058 39.000 -0.006 0.000 1.094 70 F HN -0.186 nan 8.300 nan 0.000 0.594 71 S N 3.177 118.955 115.700 0.131 0.000 2.585 71 S HA 0.144 4.605 4.470 -0.015 0.000 0.273 71 S C 1.151 175.787 174.600 0.059 0.000 1.339 71 S CA -0.456 57.793 58.200 0.081 0.000 1.028 71 S CB 0.867 64.057 63.200 -0.016 0.000 0.906 71 S HN 0.767 nan 8.310 nan 0.000 0.528 72 K N 1.026 121.469 120.400 0.072 0.000 2.152 72 K HA -0.205 4.106 4.320 -0.015 0.000 0.206 72 K C 1.047 177.580 176.600 -0.113 0.000 1.048 72 K CA 1.845 58.118 56.287 -0.023 0.000 0.933 72 K CB -0.344 32.135 32.500 -0.036 0.000 0.721 72 K HN 0.634 nan 8.250 nan 0.000 0.447 73 E N 1.267 121.422 120.200 -0.075 0.000 2.072 73 E HA -0.110 4.231 4.350 -0.015 0.000 0.190 73 E C 2.001 178.520 176.600 -0.134 0.000 0.982 73 E CA 0.957 57.306 56.400 -0.086 0.000 0.803 73 E CB -0.128 29.539 29.700 -0.055 0.000 0.755 73 E HN 0.319 nan 8.360 nan 0.000 0.453 74 E N 0.265 120.371 120.200 -0.157 0.000 2.077 74 E HA -0.149 4.192 4.350 -0.015 0.000 0.193 74 E C 1.988 178.395 176.600 -0.322 0.000 0.989 74 E CA 0.607 56.885 56.400 -0.203 0.000 0.800 74 E CB -0.155 29.403 29.700 -0.237 0.000 0.746 74 E HN 0.165 nan 8.360 nan 0.000 0.452 75 L N 0.970 121.927 121.223 -0.443 0.000 1.990 75 L HA -0.256 4.075 4.340 -0.015 0.000 0.213 75 L C 2.554 179.143 176.870 -0.470 0.000 1.072 75 L CA 2.235 56.618 54.840 -0.762 0.000 0.755 75 L CB -0.691 40.971 42.059 -0.662 0.000 0.889 75 L HN 0.144 nan 8.230 nan 0.000 0.432 76 R N -0.478 119.857 120.500 -0.276 0.000 2.075 76 R HA -0.110 4.221 4.340 -0.015 0.000 0.232 76 R C 1.938 178.158 176.300 -0.133 0.000 1.126 76 R CA 1.482 57.483 56.100 -0.165 0.000 0.963 76 R CB -1.007 29.233 30.300 -0.101 0.000 0.858 76 R HN 0.379 nan 8.270 nan 0.000 0.435 77 E N 0.481 120.603 120.200 -0.129 0.000 2.031 77 E HA -0.084 4.257 4.350 -0.015 0.000 0.193 77 E C 2.206 178.759 176.600 -0.078 0.000 0.994 77 E CA 1.001 57.347 56.400 -0.091 0.000 0.800 77 E CB -0.082 29.570 29.700 -0.080 0.000 0.752 77 E HN 0.228 nan 8.360 nan 0.000 0.447 78 R N 0.200 120.648 120.500 -0.088 0.000 2.115 78 R HA -0.043 4.288 4.340 -0.015 0.000 0.230 78 R C 2.372 178.708 176.300 0.061 0.000 1.111 78 R CA 1.061 57.170 56.100 0.015 0.000 0.976 78 R CB -0.647 29.711 30.300 0.097 0.000 0.870 78 R HN 0.256 nan 8.270 nan 0.000 0.445 79 G N 1.285 110.073 108.800 -0.019 0.000 2.422 79 G HA2 -0.228 3.723 3.960 -0.015 0.000 0.218 79 G HA3 -0.228 3.723 3.960 -0.015 0.000 0.218 79 G C 1.423 176.304 174.900 -0.032 0.000 1.146 79 G CA 0.282 45.398 45.100 0.027 0.000 0.769 79 G HN 0.227 nan 8.290 nan 0.000 0.547 80 L N 0.352 121.531 121.223 -0.073 0.000 2.072 80 L HA 0.194 4.525 4.340 -0.015 0.000 0.205 80 L C 2.510 179.289 176.870 -0.152 0.000 1.079 80 L CA 1.959 56.728 54.840 -0.118 0.000 0.752 80 L CB -0.492 41.502 42.059 -0.108 0.000 0.906 80 L HN 0.170 nan 8.230 nan 0.000 0.436 81 E N -0.137 120.003 120.200 -0.100 0.000 2.077 81 E HA -0.174 4.167 4.350 -0.015 0.000 0.193 81 E C 2.148 178.689 176.600 -0.098 0.000 0.989 81 E CA 1.770 58.111 56.400 -0.100 0.000 0.800 81 E CB -0.253 29.418 29.700 -0.047 0.000 0.746 81 E HN 0.582 nan 8.360 nan 0.000 0.452 82 I N -0.427 120.110 120.570 -0.054 0.000 2.252 82 I HA -0.179 3.982 4.170 -0.015 0.000 0.245 82 I C 2.325 178.384 176.117 -0.098 0.000 1.102 82 I CA 1.237 62.507 61.300 -0.051 0.000 1.385 82 I CB -0.532 37.466 38.000 -0.002 0.000 1.064 82 I HN 0.204 nan 8.210 nan 0.000 0.414 83 G N 0.686 109.415 108.800 -0.118 0.000 2.408 83 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.217 83 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.217 83 G C 1.690 176.475 174.900 -0.193 0.000 1.150 83 G CA 0.577 45.593 45.100 -0.139 0.000 0.776 83 G HN 0.293 nan 8.290 nan 0.000 0.542 84 K N 0.569 120.792 120.400 -0.296 0.000 1.991 84 K HA -0.052 4.259 4.320 -0.015 0.000 0.212 84 K C 2.698 179.169 176.600 -0.214 0.000 1.049 84 K CA 1.511 57.539 56.287 -0.431 0.000 0.932 84 K CB -0.341 31.879 32.500 -0.467 0.000 0.717 84 K HN 0.201 nan 8.250 nan 0.000 0.441 85 A N 0.261 122.994 122.820 -0.146 0.000 2.066 85 A HA -0.034 4.277 4.320 -0.015 0.000 0.218 85 A C 1.951 179.492 177.584 -0.072 0.000 1.157 85 A CA 1.067 53.052 52.037 -0.087 0.000 0.670 85 A CB 0.007 18.966 19.000 -0.067 0.000 0.804 85 A HN 0.258 nan 8.150 nan 0.000 0.453 86 V N -0.436 119.425 119.914 -0.088 0.000 3.590 86 V HA 0.279 4.390 4.120 -0.015 0.000 0.265 86 V C 0.406 176.454 176.094 -0.078 0.000 1.239 86 V CA 0.311 62.560 62.300 -0.084 0.000 1.117 86 V CB -0.195 31.562 31.823 -0.110 0.000 0.818 86 V HN 0.427 nan 8.190 nan 0.000 0.451 87 L N -0.203 120.980 121.223 -0.066 0.000 2.344 87 L HA 0.454 4.785 4.340 -0.015 0.000 0.272 87 L C 0.993 177.858 176.870 -0.007 0.000 1.035 87 L CA -0.536 54.277 54.840 -0.044 0.000 0.807 87 L CB 1.153 43.195 42.059 -0.029 0.000 1.237 87 L HN -0.007 nan 8.230 nan 0.000 0.442 88 D N -0.172 120.221 120.400 -0.013 0.000 2.183 88 D HA -0.020 4.611 4.640 -0.015 0.000 0.203 88 D C -0.165 176.151 176.300 0.028 0.000 0.969 88 D CA 1.111 55.111 54.000 0.001 0.000 0.842 88 D CB 0.324 41.117 40.800 -0.013 0.000 0.957 88 D HN 0.407 nan 8.370 nan 0.000 0.484 89 S N -1.157 114.565 115.700 0.037 0.000 2.546 89 S HA 0.476 4.937 4.470 -0.015 0.000 0.272 89 S C -1.015 173.647 174.600 0.104 0.000 1.140 89 S CA -1.039 57.191 58.200 0.051 0.000 0.920 89 S CB 1.619 64.822 63.200 0.004 0.000 1.083 89 S HN 0.263 nan 8.310 nan 0.000 0.476 90 Y N 0.039 120.320 120.300 -0.032 0.000 2.659 90 Y HA 0.865 5.406 4.550 -0.015 0.000 0.333 90 Y C -0.608 175.282 175.900 -0.016 0.000 1.064 90 Y CA -0.942 57.136 58.100 -0.036 0.000 1.141 90 Y CB 1.433 39.864 38.460 -0.048 0.000 1.316 90 Y HN 0.683 nan 8.280 nan 0.000 0.509 91 E N 2.534 122.785 120.200 0.085 0.000 2.651 91 E HA 0.233 4.574 4.350 -0.015 0.000 0.360 91 E C -1.750 174.855 176.600 0.009 0.000 0.932 91 E CA -0.362 56.010 56.400 -0.046 0.000 0.761 91 E CB 0.925 30.611 29.700 -0.023 0.000 1.462 91 E HN 0.849 nan 8.360 nan 0.000 0.392 92 I N 3.263 123.842 120.570 0.015 0.000 2.752 92 I HA -0.018 4.143 4.170 -0.015 0.000 0.289 92 I C 0.714 176.639 176.117 -0.321 0.000 1.197 92 I CA 0.774 61.970 61.300 -0.173 0.000 1.432 92 I CB 0.218 38.132 38.000 -0.144 0.000 1.359 92 I HN 0.425 nan 8.210 nan 0.000 0.571 93 R N 4.691 124.778 120.500 -0.689 0.000 2.923 93 R HA 0.667 4.998 4.340 -0.015 0.000 0.252 93 R C -1.507 174.236 176.300 -0.928 0.000 1.130 93 R CA -0.481 55.216 56.100 -0.672 0.000 1.043 93 R CB 1.440 31.174 30.300 -0.943 0.000 1.205 93 R HN 0.342 nan 8.270 nan 0.000 0.495 94 Y N -0.916 119.247 120.300 -0.229 0.000 2.669 94 Y HA 0.838 5.378 4.550 -0.015 0.000 0.335 94 Y C 0.022 176.027 175.900 0.176 0.000 1.116 94 Y CA -0.211 57.886 58.100 -0.004 0.000 1.081 94 Y CB 2.160 40.621 38.460 0.002 0.000 1.297 94 Y HN 0.734 nan 8.280 nan 0.000 0.484 95 A N -0.112 122.911 122.820 0.339 0.000 3.929 95 A HA 0.264 4.575 4.320 -0.015 0.000 0.264 95 A C 0.768 178.428 177.584 0.126 0.000 0.988 95 A CA -0.049 52.121 52.037 0.222 0.000 0.553 95 A CB -0.291 18.846 19.000 0.227 0.000 1.716 95 A HN 0.724 nan 8.150 nan 0.000 0.835 96 E N -0.451 119.756 120.200 0.012 0.000 2.136 96 E HA -0.235 4.106 4.350 -0.015 0.000 0.202 96 E C 0.013 176.408 176.600 -0.343 0.000 1.019 96 E CA 1.945 58.229 56.400 -0.193 0.000 0.819 96 E CB -0.139 29.395 29.700 -0.276 0.000 0.739 96 E HN 0.528 nan 8.360 nan 0.000 0.458 97 H N -1.610 117.541 119.070 0.135 0.000 2.895 97 H HA 0.321 4.868 4.556 -0.015 0.000 0.373 97 H C -2.348 173.067 175.328 0.144 0.000 1.174 97 H CA -2.248 53.872 56.048 0.121 0.000 1.144 97 H CB 1.541 31.347 29.762 0.074 0.000 1.793 97 H HN 0.074 nan 8.280 nan 0.000 0.551 98 P HA 0.186 nan 4.420 nan 0.000 0.276 98 P C -1.009 176.298 177.300 0.011 0.000 1.244 98 P CA 0.022 63.069 63.100 -0.089 0.000 0.801 98 P CB 1.388 32.947 31.700 -0.235 0.000 1.006 99 Y N -1.877 118.265 120.300 -0.264 0.000 2.905 99 Y HA 0.683 5.224 4.550 -0.015 0.000 0.322 99 Y C -1.779 174.025 175.900 -0.159 0.000 1.455 99 Y CA -1.311 56.679 58.100 -0.184 0.000 1.083 99 Y CB 0.336 38.702 38.460 -0.157 0.000 1.473 99 Y HN 0.085 nan 8.280 nan 0.000 0.449 100 V N 1.265 121.198 119.914 0.032 0.000 2.487 100 V HA 0.388 4.499 4.120 -0.015 0.000 0.298 100 V C -1.147 175.010 176.094 0.106 0.000 1.028 100 V CA -0.445 61.839 62.300 -0.026 0.000 0.860 100 V CB 1.153 32.963 31.823 -0.022 0.000 0.991 100 V HN 0.938 nan 8.190 nan 0.000 0.427 101 H N 2.268 121.324 119.070 -0.023 0.000 2.567 101 H HA 0.896 5.442 4.556 -0.015 0.000 0.345 101 H C 0.124 175.474 175.328 0.036 0.000 1.169 101 H CA 0.659 56.734 56.048 0.044 0.000 1.227 101 H CB 2.039 31.818 29.762 0.029 0.000 1.607 101 H HN 0.922 nan 8.280 nan 0.000 0.534 102 G N 0.858 109.336 108.800 -0.536 0.000 2.427 102 G HA2 0.420 4.371 3.960 -0.015 0.000 0.306 102 G HA3 0.420 4.371 3.960 -0.015 0.000 0.306 102 G C -1.870 172.864 174.900 -0.277 0.000 1.280 102 G CA -0.186 44.779 45.100 -0.226 0.000 0.837 102 G HN 0.643 nan 8.290 nan 0.000 0.482 103 V N -0.965 118.874 119.914 -0.124 0.000 3.001 103 V HA 0.873 4.984 4.120 -0.015 0.000 0.314 103 V C -0.561 175.482 176.094 -0.086 0.000 1.099 103 V CA -0.721 61.519 62.300 -0.101 0.000 0.989 103 V CB 1.999 33.795 31.823 -0.044 0.000 1.040 103 V HN 0.900 nan 8.190 nan 0.000 0.434 104 V N 2.113 121.976 119.914 -0.085 0.000 2.697 104 V HA 0.382 4.493 4.120 -0.015 0.000 0.296 104 V C -0.139 175.918 176.094 -0.060 0.000 1.140 104 V CA -1.154 61.103 62.300 -0.071 0.000 0.921 104 V CB 1.649 33.419 31.823 -0.089 0.000 1.036 104 V HN 0.888 nan 8.190 nan 0.000 0.438 105 K N 3.458 123.834 120.400 -0.039 0.000 3.177 105 K HA -0.276 4.035 4.320 -0.015 0.000 0.266 105 K C 1.201 177.783 176.600 -0.030 0.000 0.937 105 K CA 0.917 57.187 56.287 -0.029 0.000 0.702 105 K CB -1.235 31.250 32.500 -0.026 0.000 1.365 105 K HN 1.735 nan 8.250 nan 0.000 0.466 106 G N -1.373 107.410 108.800 -0.029 0.000 2.225 106 G HA2 -0.328 3.623 3.960 -0.015 0.000 0.254 106 G HA3 -0.328 3.623 3.960 -0.015 0.000 0.254 106 G C 0.116 174.994 174.900 -0.037 0.000 0.988 106 G CA 0.218 45.304 45.100 -0.023 0.000 0.625 106 G HN 0.916 nan 8.290 nan 0.000 0.527 107 V N -1.635 118.237 119.914 -0.069 0.000 2.581 107 V HA 0.836 4.947 4.120 -0.015 0.000 0.303 107 V C 0.158 176.181 176.094 -0.119 0.000 1.041 107 V CA -1.403 60.838 62.300 -0.099 0.000 0.907 107 V CB 1.914 33.639 31.823 -0.163 0.000 0.994 107 V HN 0.191 nan 8.190 nan 0.000 0.442 108 E N 2.887 123.031 120.200 -0.093 0.000 2.414 108 E HA 0.378 4.719 4.350 -0.015 0.000 0.263 108 E C -0.552 175.923 176.600 -0.209 0.000 1.000 108 E CA 0.127 56.466 56.400 -0.103 0.000 0.914 108 E CB 1.532 31.278 29.700 0.077 0.000 0.948 108 E HN 0.669 nan 8.360 nan 0.000 0.444 109 V N 2.873 122.562 119.914 -0.376 0.000 2.760 109 V HA 0.221 4.332 4.120 -0.015 0.000 0.309 109 V C -0.577 175.321 176.094 -0.326 0.000 1.077 109 V CA -0.934 61.178 62.300 -0.313 0.000 0.910 109 V CB 2.461 34.122 31.823 -0.271 0.000 1.008 109 V HN 0.502 nan 8.190 nan 0.000 0.424 110 D N 2.569 122.889 120.400 -0.132 0.000 2.381 110 D HA 0.462 5.093 4.640 -0.015 0.000 0.235 110 D C -0.771 175.488 176.300 -0.068 0.000 1.068 110 D CA -0.071 53.935 54.000 0.011 0.000 0.832 110 D CB 2.299 43.152 40.800 0.089 0.000 1.101 110 D HN 0.249 nan 8.370 nan 0.000 0.515 111 V N 3.360 123.251 119.914 -0.039 0.000 2.328 111 V HA 0.312 4.423 4.120 -0.015 0.000 0.278 111 V C 0.158 176.183 176.094 -0.115 0.000 1.021 111 V CA -0.612 61.626 62.300 -0.104 0.000 0.838 111 V CB 1.480 33.245 31.823 -0.095 0.000 0.999 111 V HN 0.234 nan 8.190 nan 0.000 0.447 112 V N 7.556 127.273 119.914 -0.329 0.000 2.540 112 V HA 0.512 4.623 4.120 -0.015 0.000 0.302 112 V C -2.630 173.180 176.094 -0.473 0.000 1.035 112 V CA -2.125 59.841 62.300 -0.556 0.000 0.873 112 V CB 2.318 33.362 31.823 -1.298 0.000 0.992 112 V HN 0.667 nan 8.190 nan 0.000 0.428 113 P HA 0.604 nan 4.420 nan 0.000 0.296 113 P C -0.919 176.320 177.300 -0.102 0.000 1.306 113 P CA -0.314 62.759 63.100 -0.045 0.000 0.818 113 P CB 1.069 32.758 31.700 -0.019 0.000 0.969 114 C N 1.411 120.722 119.300 0.018 0.000 3.318 114 C HA 0.609 5.060 4.460 -0.015 0.000 0.329 114 C C -1.193 173.810 174.990 0.022 0.000 1.449 114 C CA -1.082 57.966 59.018 0.050 0.000 1.397 114 C CB 0.450 28.311 27.740 0.201 0.000 1.810 114 C HN 0.403 nan 8.230 nan 0.000 0.449 115 Y N 1.092 121.467 120.300 0.124 0.000 2.341 115 Y HA 0.455 4.996 4.550 -0.015 0.000 0.340 115 Y C 0.873 176.805 175.900 0.053 0.000 0.997 115 Y CA 0.015 58.173 58.100 0.098 0.000 1.149 115 Y CB 0.823 39.337 38.460 0.090 0.000 1.171 115 Y HN 0.686 nan 8.280 nan 0.000 0.494 116 K N 5.329 125.805 120.400 0.126 0.000 2.402 116 K HA 0.322 4.633 4.320 -0.015 0.000 0.285 116 K C -1.198 175.454 176.600 0.087 0.000 1.054 116 K CA 0.262 56.569 56.287 0.033 0.000 1.001 116 K CB -0.040 32.436 32.500 -0.041 0.000 0.946 116 K HN 0.739 nan 8.250 nan 0.000 0.473 117 L N 2.832 124.098 121.223 0.072 0.000 2.170 117 L HA 0.624 4.955 4.340 -0.015 0.000 0.247 117 L C -0.918 176.063 176.870 0.186 0.000 1.078 117 L CA -1.273 53.668 54.840 0.168 0.000 0.936 117 L CB 1.766 44.011 42.059 0.311 0.000 1.528 117 L HN 0.510 nan 8.230 nan 0.000 0.455 118 K N 0.339 120.927 120.400 0.314 0.000 2.542 118 K HA 0.373 4.684 4.320 -0.015 0.000 0.259 118 K C -1.857 174.925 176.600 0.304 0.000 0.932 118 K CA -0.399 56.096 56.287 0.346 0.000 0.820 118 K CB 1.565 34.170 32.500 0.174 0.000 1.345 118 K HN 0.507 nan 8.250 nan 0.000 0.432 119 E N 1.904 122.263 120.200 0.265 0.000 7.494 119 E HA -0.113 4.228 4.350 -0.015 0.000 0.356 119 E C -2.419 173.987 176.600 -0.322 0.000 0.670 119 E CA 0.141 56.524 56.400 -0.028 0.000 1.219 119 E CB -0.438 29.268 29.700 0.009 0.000 0.933 119 E HN 0.584 nan 8.360 nan 0.000 0.264 120 P HA -0.220 nan 4.420 nan 0.000 0.218 120 P C 0.413 177.498 177.300 -0.358 0.000 1.150 120 P CA 1.701 64.299 63.100 -0.837 0.000 0.841 120 P CB 0.213 31.582 31.700 -0.552 0.000 0.784 121 K N -0.649 119.629 120.400 -0.203 0.000 2.234 121 K HA 0.016 4.327 4.320 -0.015 0.000 0.251 121 K C 0.850 177.414 176.600 -0.059 0.000 1.011 121 K CA 0.191 56.418 56.287 -0.101 0.000 0.889 121 K CB -0.123 32.340 32.500 -0.063 0.000 1.011 121 K HN 0.022 nan 8.250 nan 0.000 0.505 122 N N -1.001 117.677 118.700 -0.035 0.000 2.936 122 N HA -0.233 4.498 4.740 -0.015 0.000 0.236 122 N C -0.018 175.479 175.510 -0.022 0.000 0.930 122 N CA 0.806 53.843 53.050 -0.022 0.000 0.966 122 N CB -1.390 37.100 38.487 0.005 0.000 1.090 122 N HN 0.544 nan 8.380 nan 0.000 0.592 123 I N 0.904 121.466 120.570 -0.014 0.000 3.246 123 I HA -0.086 4.075 4.170 -0.015 0.000 0.280 123 I C 1.384 177.498 176.117 -0.005 0.000 1.239 123 I CA 0.938 62.251 61.300 0.022 0.000 1.336 123 I CB 0.554 38.558 38.000 0.007 0.000 1.383 123 I HN 0.060 nan 8.210 nan 0.000 0.617 124 K N 1.241 121.658 120.400 0.029 0.000 2.585 124 K HA 0.267 4.577 4.320 -0.015 0.000 0.210 124 K C -0.489 176.180 176.600 0.116 0.000 1.504 124 K CA -0.058 56.246 56.287 0.028 0.000 1.029 124 K CB 0.869 33.327 32.500 -0.070 0.000 1.332 124 K HN 0.507 nan 8.250 nan 0.000 0.569 125 S N -0.662 115.133 115.700 0.159 0.000 2.607 125 S HA 0.444 4.905 4.470 -0.015 0.000 0.273 125 S C 0.250 174.928 174.600 0.131 0.000 1.148 125 S CA -0.332 57.972 58.200 0.174 0.000 0.833 125 S CB 1.732 65.124 63.200 0.319 0.000 1.130 125 S HN 0.168 nan 8.310 nan 0.000 0.470 126 A N 1.099 123.973 122.820 0.091 0.000 1.948 126 A HA -0.116 4.195 4.320 -0.015 0.000 0.220 126 A C 2.116 179.760 177.584 0.100 0.000 1.177 126 A CA 2.395 54.470 52.037 0.063 0.000 0.636 126 A CB -1.397 17.631 19.000 0.048 0.000 0.815 126 A HN 1.239 nan 8.150 nan 0.000 0.449 127 V N -1.562 118.453 119.914 0.169 0.000 2.469 127 V HA -0.251 3.860 4.120 -0.015 0.000 0.251 127 V C 1.625 177.907 176.094 0.314 0.000 1.064 127 V CA 2.323 64.792 62.300 0.282 0.000 1.066 127 V CB -0.996 30.949 31.823 0.203 0.000 0.667 127 V HN 0.437 nan 8.190 nan 0.000 0.461 128 D N 0.359 120.908 120.400 0.248 0.000 2.224 128 D HA -0.095 4.536 4.640 -0.015 0.000 0.205 128 D C 2.268 178.716 176.300 0.247 0.000 0.965 128 D CA 1.356 55.514 54.000 0.264 0.000 0.852 128 D CB -0.274 40.697 40.800 0.286 0.000 0.947 128 D HN 0.528 nan 8.370 nan 0.000 0.494 129 R N 0.545 121.126 120.500 0.136 0.000 2.153 129 R HA -0.048 4.282 4.340 -0.015 0.000 0.218 129 R C 1.617 177.793 176.300 -0.205 0.000 1.072 129 R CA 0.963 57.070 56.100 0.012 0.000 0.990 129 R CB -0.001 30.163 30.300 -0.227 0.000 0.889 129 R HN -0.002 nan 8.270 nan 0.000 0.452 130 T N 1.311 115.766 114.554 -0.165 0.000 2.720 130 T HA -0.078 4.262 4.350 -0.015 0.000 0.268 130 T C -1.224 173.345 174.700 -0.217 0.000 1.037 130 T CA 1.277 63.224 62.100 -0.255 0.000 1.144 130 T CB -0.801 67.841 68.868 -0.377 0.000 0.864 130 T HN 0.329 nan 8.240 nan 0.000 0.444 131 P HA 0.027 nan 4.420 nan 0.000 0.217 131 P C 1.004 178.242 177.300 -0.103 0.000 1.151 131 P CA 0.858 63.841 63.100 -0.195 0.000 0.828 131 P CB -0.202 31.327 31.700 -0.284 0.000 0.788 132 F N -1.559 118.394 119.950 0.005 0.000 2.186 132 F HA -0.155 4.363 4.527 -0.016 0.000 0.299 132 F C 2.515 178.420 175.800 0.174 0.000 1.090 132 F CA 1.417 59.458 58.000 0.069 0.000 1.307 132 F CB -1.190 37.822 39.000 0.019 0.000 1.019 132 F HN 0.112 nan 8.300 nan 0.000 0.489 133 H N -2.294 116.885 119.070 0.181 0.000 2.353 133 H HA -0.225 4.322 4.556 -0.014 0.000 0.300 133 H C 2.108 177.545 175.328 0.181 0.000 1.090 133 H CA 1.375 57.458 56.048 0.057 0.000 1.327 133 H CB -0.174 29.362 29.762 -0.376 0.000 1.383 133 H HN 0.234 nan 8.280 nan 0.000 0.508 134 H N 1.174 120.339 119.070 0.157 0.000 2.321 134 H HA -0.092 4.455 4.556 -0.015 0.000 0.300 134 H C 2.079 177.502 175.328 0.159 0.000 1.087 134 H CA 1.408 57.526 56.048 0.116 0.000 1.319 134 H CB 0.194 29.954 29.762 -0.003 0.000 1.379 134 H HN -0.005 nan 8.280 nan 0.000 0.501 135 K N -0.240 120.190 120.400 0.050 0.000 2.026 135 K HA -0.195 4.116 4.320 -0.015 0.000 0.208 135 K C 2.237 178.882 176.600 0.075 0.000 1.048 135 K CA 1.357 57.646 56.287 0.004 0.000 0.929 135 K CB -1.131 31.425 32.500 0.093 0.000 0.713 135 K HN 0.449 nan 8.250 nan 0.000 0.439 136 W N 1.109 122.449 121.300 0.067 0.000 2.342 136 W HA -0.206 4.443 4.660 -0.017 0.000 0.297 136 W C 1.699 178.250 176.519 0.054 0.000 1.213 136 W CA 1.019 58.418 57.345 0.089 0.000 1.251 136 W CB -0.028 29.532 29.460 0.167 0.000 1.136 136 W HN -0.012 nan 8.180 nan 0.000 0.526 137 L N 0.723 122.127 121.223 0.302 0.000 2.162 137 L HA -0.081 4.250 4.340 -0.015 0.000 0.205 137 L C 2.530 179.382 176.870 -0.031 0.000 1.086 137 L CA 2.225 57.178 54.840 0.188 0.000 0.778 137 L CB -1.392 40.856 42.059 0.315 0.000 0.928 137 L HN 0.238 nan 8.230 nan 0.000 0.446 138 E N -1.394 118.711 120.200 -0.158 0.000 2.160 138 E HA -0.178 4.163 4.350 -0.015 0.000 0.195 138 E C 2.032 178.562 176.600 -0.117 0.000 0.991 138 E CA 1.338 57.638 56.400 -0.167 0.000 0.810 138 E CB -0.655 28.875 29.700 -0.283 0.000 0.742 138 E HN 0.400 nan 8.360 nan 0.000 0.466 139 G N 1.047 109.756 108.800 -0.152 0.000 2.426 139 G HA2 -0.133 3.818 3.960 -0.015 0.000 0.214 139 G HA3 -0.133 3.818 3.960 -0.015 0.000 0.214 139 G C 1.683 176.490 174.900 -0.155 0.000 1.156 139 G CA 0.254 45.266 45.100 -0.146 0.000 0.802 139 G HN 0.106 nan 8.290 nan 0.000 0.534 140 R N -0.656 119.712 120.500 -0.219 0.000 2.200 140 R HA 0.202 4.533 4.340 -0.015 0.000 0.208 140 R C 1.949 178.197 176.300 -0.087 0.000 1.033 140 R CA 0.418 56.394 56.100 -0.207 0.000 1.000 140 R CB -0.079 29.977 30.300 -0.406 0.000 0.906 140 R HN 0.367 nan 8.270 nan 0.000 0.462 141 I N 1.131 121.679 120.570 -0.037 0.000 3.645 141 I HA 0.008 4.169 4.170 -0.015 0.000 0.300 141 I C 0.261 176.383 176.117 0.008 0.000 1.260 141 I CA 0.011 61.323 61.300 0.021 0.000 1.365 141 I CB 0.091 38.136 38.000 0.074 0.000 1.077 141 I HN -0.230 nan 8.210 nan 0.000 0.439 142 K N 0.991 121.382 120.400 -0.015 0.000 2.504 142 K HA 0.258 4.568 4.320 -0.015 0.000 0.278 142 K C 1.181 177.772 176.600 -0.015 0.000 1.025 142 K CA 1.297 57.574 56.287 -0.016 0.000 1.093 142 K CB -0.302 32.179 32.500 -0.031 0.000 0.873 142 K HN 0.430 nan 8.250 nan 0.000 0.483 143 G N 3.829 112.621 108.800 -0.013 0.000 2.234 143 G HA2 -0.277 3.674 3.960 -0.015 0.000 0.235 143 G HA3 -0.277 3.674 3.960 -0.015 0.000 0.235 143 G C 0.423 175.320 174.900 -0.005 0.000 0.997 143 G CA 0.397 45.490 45.100 -0.013 0.000 0.623 143 G HN 0.598 nan 8.290 nan 0.000 0.514 144 K N 0.890 121.294 120.400 0.008 0.000 2.537 144 K HA 0.185 4.496 4.320 -0.015 0.000 0.206 144 K C 1.741 178.356 176.600 0.024 0.000 1.041 144 K CA 0.305 56.606 56.287 0.023 0.000 1.090 144 K CB 0.456 32.984 32.500 0.048 0.000 0.833 144 K HN 0.511 nan 8.250 nan 0.000 0.493 145 E N 0.720 120.921 120.200 0.001 0.000 2.160 145 E HA -0.219 4.122 4.350 -0.015 0.000 0.195 145 E C 0.821 177.399 176.600 -0.038 0.000 0.991 145 E CA 1.218 57.611 56.400 -0.013 0.000 0.810 145 E CB -0.179 29.494 29.700 -0.046 0.000 0.742 145 E HN 0.222 nan 8.360 nan 0.000 0.466 146 N N 0.759 119.430 118.700 -0.048 0.000 2.416 146 N HA -0.056 4.675 4.740 -0.015 0.000 0.177 146 N C 1.548 177.030 175.510 -0.046 0.000 1.036 146 N CA 0.556 53.562 53.050 -0.073 0.000 0.901 146 N CB 0.065 38.499 38.487 -0.089 0.000 0.976 146 N HN 0.216 nan 8.380 nan 0.000 0.444 147 E N 0.780 120.986 120.200 0.010 0.000 2.106 147 E HA -0.033 4.308 4.350 -0.015 0.000 0.192 147 E C 2.105 178.769 176.600 0.106 0.000 0.984 147 E CA 0.385 56.829 56.400 0.074 0.000 0.806 147 E CB -0.262 29.508 29.700 0.117 0.000 0.750 147 E HN 0.089 nan 8.360 nan 0.000 0.458 148 V N 1.477 121.443 119.914 0.086 0.000 2.295 148 V HA -0.264 3.847 4.120 -0.015 0.000 0.246 148 V C 2.421 178.549 176.094 0.056 0.000 1.049 148 V CA 1.878 64.241 62.300 0.105 0.000 1.024 148 V CB -0.444 31.440 31.823 0.103 0.000 0.648 148 V HN 0.178 nan 8.190 nan 0.000 0.447 149 R N -0.454 120.038 120.500 -0.013 0.000 2.081 149 R HA -0.107 4.224 4.340 -0.015 0.000 0.235 149 R C 2.298 178.553 176.300 -0.075 0.000 1.131 149 R CA 1.405 57.465 56.100 -0.067 0.000 0.960 149 R CB -0.447 29.779 30.300 -0.124 0.000 0.856 149 R HN 0.409 nan 8.270 nan 0.000 0.436 150 L N 0.275 121.424 121.223 -0.123 0.000 2.046 150 L HA -0.197 4.134 4.340 -0.015 0.000 0.208 150 L C 2.323 179.104 176.870 -0.149 0.000 1.077 150 L CA 0.693 55.371 54.840 -0.269 0.000 0.747 150 L CB -0.367 41.330 42.059 -0.604 0.000 0.896 150 L HN 0.206 nan 8.230 nan 0.000 0.432 151 L N -0.140 121.162 121.223 0.133 0.000 2.056 151 L HA -0.190 4.141 4.340 -0.015 0.000 0.207 151 L C 2.415 179.401 176.870 0.193 0.000 1.078 151 L CA 1.805 56.889 54.840 0.405 0.000 0.749 151 L CB -0.496 41.784 42.059 0.369 0.000 0.901 151 L HN 0.086 nan 8.230 nan 0.000 0.433 152 K N -0.831 119.581 120.400 0.020 0.000 2.057 152 K HA -0.030 4.281 4.320 -0.015 0.000 0.206 152 K C 2.008 178.468 176.600 -0.233 0.000 1.050 152 K CA 1.094 57.226 56.287 -0.258 0.000 0.935 152 K CB -0.678 31.585 32.500 -0.394 0.000 0.715 152 K HN 0.506 nan 8.250 nan 0.000 0.439 153 G N 0.897 109.661 108.800 -0.060 0.000 2.422 153 G HA2 -0.272 3.679 3.960 -0.015 0.000 0.218 153 G HA3 -0.272 3.679 3.960 -0.015 0.000 0.218 153 G C 1.329 176.286 174.900 0.094 0.000 1.146 153 G CA 0.455 45.580 45.100 0.042 0.000 0.769 153 G HN 0.192 nan 8.290 nan 0.000 0.547 154 F N 1.192 121.093 119.950 -0.082 0.000 2.075 154 F HA 0.015 4.534 4.527 -0.013 0.000 0.297 154 F C 2.534 178.263 175.800 -0.119 0.000 1.113 154 F CA 1.267 59.093 58.000 -0.289 0.000 1.218 154 F CB -0.298 38.607 39.000 -0.159 0.000 0.984 154 F HN 0.046 nan 8.300 nan 0.000 0.472 155 L N -0.010 121.249 121.223 0.060 0.000 2.017 155 L HA -0.233 4.098 4.340 -0.015 0.000 0.208 155 L C 2.472 179.350 176.870 0.013 0.000 1.073 155 L CA 1.885 56.725 54.840 -0.000 0.000 0.745 155 L CB -0.783 41.291 42.059 0.025 0.000 0.894 155 L HN 0.094 nan 8.230 nan 0.000 0.432 156 K N 0.562 120.967 120.400 0.007 0.000 2.002 156 K HA -0.154 4.157 4.320 -0.015 0.000 0.209 156 K C 2.121 178.722 176.600 0.001 0.000 1.048 156 K CA 1.431 57.756 56.287 0.063 0.000 0.930 156 K CB -0.264 32.238 32.500 0.002 0.000 0.714 156 K HN 0.210 nan 8.250 nan 0.000 0.438 157 A N 0.960 123.743 122.820 -0.061 0.000 2.032 157 A HA -0.152 4.159 4.320 -0.015 0.000 0.221 157 A C 1.221 178.723 177.584 -0.137 0.000 1.165 157 A CA 1.780 53.762 52.037 -0.091 0.000 0.645 157 A CB -0.439 18.486 19.000 -0.124 0.000 0.807 157 A HN 0.469 nan 8.150 nan 0.000 0.453 158 N N -0.797 117.799 118.700 -0.172 0.000 2.273 158 N HA 0.218 4.949 4.740 -0.015 0.000 0.231 158 N C 0.814 176.294 175.510 -0.050 0.000 1.134 158 N CA 0.672 53.628 53.050 -0.156 0.000 0.856 158 N CB 0.497 38.827 38.487 -0.261 0.000 1.068 158 N HN 0.544 nan 8.380 nan 0.000 0.510 159 G N 2.090 110.886 108.800 -0.007 0.000 2.283 159 G HA2 -0.258 3.693 3.960 -0.015 0.000 0.280 159 G HA3 -0.258 3.693 3.960 -0.015 0.000 0.280 159 G C 0.489 175.432 174.900 0.071 0.000 1.029 159 G CA 0.728 45.849 45.100 0.035 0.000 0.840 159 G HN 0.593 nan 8.290 nan 0.000 0.505 160 I N -4.808 115.828 120.570 0.110 0.000 3.597 160 I HA 0.426 4.587 4.170 -0.015 0.000 0.323 160 I C 1.249 177.515 176.117 0.247 0.000 1.535 160 I CA -0.905 60.496 61.300 0.169 0.000 1.028 160 I CB -0.138 37.988 38.000 0.210 0.000 1.354 160 I HN -0.001 nan 8.210 nan 0.000 0.544 161 Y N 2.812 123.158 120.300 0.077 0.000 2.231 161 Y HA 0.451 4.991 4.550 -0.016 0.000 0.294 161 Y C 1.581 177.552 175.900 0.119 0.000 1.120 161 Y CA 0.542 58.697 58.100 0.091 0.000 1.141 161 Y CB -0.405 38.096 38.460 0.068 0.000 1.022 161 Y HN 0.197 nan 8.280 nan 0.000 0.523 162 G N -0.584 108.049 108.800 -0.279 0.000 2.537 162 G HA2 0.408 4.359 3.960 -0.015 0.000 0.273 162 G HA3 0.408 4.359 3.960 -0.015 0.000 0.273 162 G C 0.312 175.100 174.900 -0.186 0.000 1.189 162 G CA -0.098 44.775 45.100 -0.380 0.000 0.881 162 G HN 0.516 nan 8.290 nan 0.000 0.535 163 A N 0.040 122.747 122.820 -0.188 0.000 2.308 163 A HA 0.261 4.572 4.320 -0.015 0.000 0.217 163 A C 1.166 178.618 177.584 -0.221 0.000 1.216 163 A CA 0.077 52.014 52.037 -0.167 0.000 0.864 163 A CB -0.252 18.662 19.000 -0.143 0.000 0.902 163 A HN 0.698 nan 8.150 nan 0.000 0.499 164 E N -0.514 119.575 120.200 -0.184 0.000 2.392 164 E HA 0.030 4.371 4.350 -0.015 0.000 0.256 164 E C -0.033 176.453 176.600 -0.190 0.000 1.145 164 E CA -0.376 55.909 56.400 -0.192 0.000 0.929 164 E CB 0.187 29.834 29.700 -0.088 0.000 0.998 164 E HN 0.440 nan 8.360 nan 0.000 0.442 165 Y N 0.591 120.877 120.300 -0.023 0.000 2.298 165 Y HA -0.221 4.320 4.550 -0.015 0.000 0.287 165 Y C 2.635 178.510 175.900 -0.042 0.000 1.164 165 Y CA 1.919 60.019 58.100 -0.000 0.000 1.229 165 Y CB -0.131 38.359 38.460 0.051 0.000 0.977 165 Y HN 0.544 nan 8.280 nan 0.000 0.538 166 K N -0.203 120.153 120.400 -0.073 0.000 2.283 166 K HA -0.108 4.203 4.320 -0.015 0.000 0.202 166 K C 1.271 177.799 176.600 -0.119 0.000 1.048 166 K CA 1.298 57.359 56.287 -0.376 0.000 0.948 166 K CB 0.093 32.188 32.500 -0.674 0.000 0.742 166 K HN 0.192 nan 8.250 nan 0.000 0.458 167 V N -0.486 119.395 119.914 -0.055 0.000 3.013 167 V HA 0.113 4.224 4.120 -0.015 0.000 0.238 167 V C 0.435 176.537 176.094 0.014 0.000 1.161 167 V CA 0.024 62.316 62.300 -0.014 0.000 1.170 167 V CB -0.165 31.640 31.823 -0.030 0.000 0.917 167 V HN 0.283 nan 8.190 nan 0.000 0.478 168 R N 0.523 121.009 120.500 -0.024 0.000 3.516 168 R HA -0.171 4.160 4.340 -0.015 0.000 0.271 168 R C 0.689 176.970 176.300 -0.032 0.000 1.098 168 R CA 0.387 56.465 56.100 -0.037 0.000 0.732 168 R CB -1.700 28.623 30.300 0.039 0.000 1.152 168 R HN 0.651 nan 8.270 nan 0.000 0.455 169 G N -0.339 108.452 108.800 -0.014 0.000 3.019 169 G HA2 0.572 4.523 3.960 -0.015 0.000 0.152 169 G HA3 0.572 4.523 3.960 -0.015 0.000 0.152 169 G C -0.699 174.216 174.900 0.025 0.000 1.320 169 G CA -0.674 44.482 45.100 0.093 0.000 1.013 169 G HN 0.073 nan 8.290 nan 0.000 0.593 170 F N 1.647 121.563 119.950 -0.056 0.000 2.334 170 F HA 0.422 4.939 4.527 -0.017 0.000 0.367 170 F C 1.224 176.995 175.800 -0.048 0.000 1.115 170 F CA -1.237 56.740 58.000 -0.038 0.000 1.116 170 F CB 1.019 40.019 39.000 -0.000 0.000 1.230 170 F HN 0.361 nan 8.300 nan 0.000 0.484 171 S N 1.386 117.130 115.700 0.074 0.000 2.580 171 S HA 0.211 4.671 4.470 -0.015 0.000 0.261 171 S C 1.522 176.219 174.600 0.162 0.000 1.366 171 S CA -0.198 58.012 58.200 0.016 0.000 0.996 171 S CB 0.928 64.156 63.200 0.046 0.000 0.902 171 S HN 0.792 nan 8.310 nan 0.000 0.566 172 G N 0.337 109.245 108.800 0.180 0.000 2.421 172 G HA2 -0.221 3.730 3.960 -0.015 0.000 0.216 172 G HA3 -0.221 3.730 3.960 -0.015 0.000 0.216 172 G C 1.161 176.251 174.900 0.316 0.000 1.171 172 G CA 1.011 46.324 45.100 0.355 0.000 0.775 172 G HN 0.846 nan 8.290 nan 0.000 0.543 173 Y N 1.128 121.501 120.300 0.121 0.000 2.114 173 Y HA -0.165 4.377 4.550 -0.013 0.000 0.282 173 Y C 2.474 178.409 175.900 0.060 0.000 1.165 173 Y CA 1.552 59.691 58.100 0.064 0.000 1.148 173 Y CB -0.653 37.789 38.460 -0.029 0.000 0.972 173 Y HN 0.148 nan 8.280 nan 0.000 0.504 174 L N -0.086 121.133 121.223 -0.006 0.000 2.042 174 L HA -0.229 4.102 4.340 -0.015 0.000 0.210 174 L C 2.405 179.306 176.870 0.053 0.000 1.076 174 L CA 2.041 56.830 54.840 -0.085 0.000 0.749 174 L CB -1.433 40.651 42.059 0.042 0.000 0.893 174 L HN 0.423 nan 8.230 nan 0.000 0.432 175 C N -0.199 119.213 119.300 0.186 0.000 2.425 175 C HA -0.138 4.313 4.460 -0.015 0.000 0.277 175 C C 2.572 177.671 174.990 0.181 0.000 1.280 175 C CA 0.995 60.147 59.018 0.224 0.000 1.744 175 C CB -0.996 26.903 27.740 0.266 0.000 1.989 175 C HN 0.598 nan 8.230 nan 0.000 0.491 176 E N 0.592 120.881 120.200 0.149 0.000 2.072 176 E HA -0.118 4.223 4.350 -0.015 0.000 0.191 176 E C 2.094 178.770 176.600 0.126 0.000 0.985 176 E CA 0.898 57.391 56.400 0.155 0.000 0.801 176 E CB -0.181 29.639 29.700 0.200 0.000 0.750 176 E HN 0.631 nan 8.360 nan 0.000 0.452 177 L N 0.722 121.935 121.223 -0.018 0.000 2.083 177 L HA -0.201 4.130 4.340 -0.015 0.000 0.209 177 L C 2.441 179.367 176.870 0.094 0.000 1.083 177 L CA 0.883 55.703 54.840 -0.034 0.000 0.752 177 L CB -0.418 41.430 42.059 -0.352 0.000 0.899 177 L HN 0.185 nan 8.230 nan 0.000 0.433 178 L N -0.711 120.595 121.223 0.137 0.000 2.093 178 L HA -0.207 4.124 4.340 -0.015 0.000 0.208 178 L C 2.507 179.597 176.870 0.366 0.000 1.085 178 L CA 0.781 55.799 54.840 0.296 0.000 0.755 178 L CB -0.325 41.985 42.059 0.418 0.000 0.904 178 L HN 0.233 nan 8.230 nan 0.000 0.435 179 I N -0.775 119.963 120.570 0.280 0.000 2.353 179 I HA -0.178 3.983 4.170 -0.015 0.000 0.248 179 I C 2.511 178.756 176.117 0.215 0.000 1.119 179 I CA 1.159 62.611 61.300 0.253 0.000 1.417 179 I CB -0.795 37.324 38.000 0.199 0.000 1.078 179 I HN 0.036 nan 8.210 nan 0.000 0.421 180 V N 0.365 120.404 119.914 0.209 0.000 2.515 180 V HA -0.274 3.837 4.120 -0.015 0.000 0.250 180 V C 2.318 178.515 176.094 0.172 0.000 1.058 180 V CA 1.576 63.985 62.300 0.182 0.000 1.064 180 V CB -0.661 31.316 31.823 0.257 0.000 0.675 180 V HN 0.237 nan 8.190 nan 0.000 0.461 181 F N -0.322 119.630 119.950 0.002 0.000 2.098 181 F HA -0.116 4.400 4.527 -0.018 0.000 0.294 181 F C 2.119 177.784 175.800 -0.225 0.000 1.107 181 F CA 1.674 59.573 58.000 -0.168 0.000 1.234 181 F CB -0.168 38.617 39.000 -0.357 0.000 1.002 181 F HN 0.161 nan 8.300 nan 0.000 0.472 182 Y N -0.236 120.249 120.300 0.308 0.000 2.517 182 Y HA 0.254 4.796 4.550 -0.013 0.000 0.281 182 Y C 2.143 178.089 175.900 0.077 0.000 1.125 182 Y CA 0.521 58.725 58.100 0.173 0.000 1.283 182 Y CB -0.272 38.314 38.460 0.210 0.000 1.042 182 Y HN 0.256 nan 8.280 nan 0.000 0.547 183 G N -0.192 108.729 108.800 0.201 0.000 2.258 183 G HA2 -0.245 3.706 3.960 -0.015 0.000 0.233 183 G HA3 -0.245 3.706 3.960 -0.015 0.000 0.233 183 G C 0.315 175.290 174.900 0.126 0.000 1.006 183 G CA 0.329 45.502 45.100 0.122 0.000 0.620 183 G HN 0.755 nan 8.290 nan 0.000 0.511 184 S N -1.684 114.113 115.700 0.161 0.000 2.627 184 S HA 0.596 5.057 4.470 -0.015 0.000 0.268 184 S C 0.333 175.025 174.600 0.153 0.000 1.130 184 S CA 0.320 58.607 58.200 0.146 0.000 0.819 184 S CB 0.740 64.004 63.200 0.106 0.000 1.100 184 S HN 1.304 nan 8.310 nan 0.000 0.465 185 F N 1.301 121.258 119.950 0.012 0.000 2.043 185 F HA -0.067 4.453 4.527 -0.012 0.000 0.297 185 F C 1.982 177.712 175.800 -0.117 0.000 1.121 185 F CA 2.230 60.201 58.000 -0.049 0.000 1.199 185 F CB -0.373 38.582 39.000 -0.075 0.000 0.968 185 F HN 0.593 nan 8.300 nan 0.000 0.478 186 L N 1.012 122.218 121.223 -0.028 0.000 2.013 186 L HA -0.245 4.086 4.340 -0.015 0.000 0.212 186 L C 2.315 179.029 176.870 -0.260 0.000 1.073 186 L CA 2.001 56.742 54.840 -0.164 0.000 0.753 186 L CB -1.052 41.027 42.059 0.034 0.000 0.890 186 L HN 0.192 nan 8.230 nan 0.000 0.432 187 E N -0.853 119.262 120.200 -0.142 0.000 2.110 187 E HA -0.161 4.180 4.350 -0.015 0.000 0.193 187 E C 2.113 178.486 176.600 -0.379 0.000 0.988 187 E CA 1.663 57.978 56.400 -0.142 0.000 0.804 187 E CB -0.452 29.276 29.700 0.046 0.000 0.745 187 E HN 0.564 nan 8.360 nan 0.000 0.458 188 T N 1.004 115.339 114.554 -0.366 0.000 2.708 188 T HA -0.099 4.242 4.350 -0.015 0.000 0.266 188 T C 2.140 176.393 174.700 -0.746 0.000 1.037 188 T CA 1.268 63.028 62.100 -0.567 0.000 1.146 188 T CB -0.263 68.543 68.868 -0.103 0.000 0.865 188 T HN -0.027 nan 8.240 nan 0.000 0.435 189 V N 1.357 120.805 119.914 -0.777 0.000 2.343 189 V HA -0.158 3.953 4.120 -0.015 0.000 0.247 189 V C 2.498 178.192 176.094 -0.666 0.000 1.051 189 V CA 1.564 63.343 62.300 -0.868 0.000 1.036 189 V CB -0.457 30.702 31.823 -1.107 0.000 0.654 189 V HN 0.447 nan 8.190 nan 0.000 0.451 190 K N 0.058 120.153 120.400 -0.508 0.000 2.063 190 K HA -0.166 4.145 4.320 -0.015 0.000 0.208 190 K C 1.956 178.328 176.600 -0.380 0.000 1.048 190 K CA 1.655 57.726 56.287 -0.360 0.000 0.928 190 K CB -0.251 32.103 32.500 -0.242 0.000 0.713 190 K HN 0.515 nan 8.250 nan 0.000 0.442 191 N N 0.279 118.681 118.700 -0.496 0.000 2.376 191 N HA -0.043 4.688 4.740 -0.015 0.000 0.177 191 N C 1.673 176.805 175.510 -0.631 0.000 1.024 191 N CA 0.645 53.440 53.050 -0.425 0.000 0.893 191 N CB 0.121 38.364 38.487 -0.407 0.000 0.980 191 N HN 0.126 nan 8.380 nan 0.000 0.439 192 A N 1.834 123.989 122.820 -1.108 0.000 2.070 192 A HA -0.103 4.208 4.320 -0.015 0.000 0.220 192 A C 2.082 179.177 177.584 -0.815 0.000 1.159 192 A CA 0.842 51.788 52.037 -1.819 0.000 0.656 192 A CB -0.357 17.605 19.000 -1.730 0.000 0.800 192 A HN 0.237 nan 8.150 nan 0.000 0.453 193 R N -0.754 119.434 120.500 -0.521 0.000 2.193 193 R HA -0.049 4.282 4.340 -0.015 0.000 0.229 193 R C 1.193 177.432 176.300 -0.102 0.000 1.110 193 R CA 0.957 56.894 56.100 -0.272 0.000 0.988 193 R CB -0.083 30.077 30.300 -0.234 0.000 0.871 193 R HN 0.328 nan 8.270 nan 0.000 0.458 194 R N -0.747 119.721 120.500 -0.053 0.000 2.362 194 R HA 0.054 4.384 4.340 -0.015 0.000 0.227 194 R C -0.219 176.260 176.300 0.298 0.000 0.905 194 R CA -0.068 56.096 56.100 0.108 0.000 1.067 194 R CB 0.125 30.495 30.300 0.117 0.000 1.078 194 R HN 0.053 nan 8.270 nan 0.000 0.516 195 W N 2.439 123.806 121.300 0.112 0.000 2.158 195 W HA 0.136 4.789 4.660 -0.011 0.000 0.339 195 W C 1.306 177.906 176.519 0.134 0.000 1.294 195 W CA -0.367 57.086 57.345 0.181 0.000 1.231 195 W CB 0.232 29.830 29.460 0.230 0.000 1.143 195 W HN -0.041 nan 8.180 nan 0.000 0.571 196 T N -0.903 113.866 114.554 0.360 0.000 2.773 196 T HA 0.473 4.814 4.350 -0.015 0.000 0.278 196 T C 0.895 175.722 174.700 0.213 0.000 1.011 196 T CA -0.936 61.300 62.100 0.226 0.000 1.014 196 T CB 1.631 70.602 68.868 0.171 0.000 1.293 196 T HN 0.513 nan 8.240 nan 0.000 0.554 197 R N -0.251 120.338 120.500 0.149 0.000 2.323 197 R HA 0.215 4.546 4.340 -0.015 0.000 0.198 197 R C 1.117 177.519 176.300 0.169 0.000 0.988 197 R CA -0.071 56.112 56.100 0.139 0.000 1.041 197 R CB -0.024 30.328 30.300 0.088 0.000 0.926 197 R HN 0.263 nan 8.270 nan 0.000 0.476 198 R N 0.713 121.306 120.500 0.156 0.000 2.397 198 R HA 0.169 4.500 4.340 -0.015 0.000 0.241 198 R C -0.215 176.137 176.300 0.086 0.000 0.914 198 R CA 0.119 56.284 56.100 0.108 0.000 1.071 198 R CB 0.771 31.118 30.300 0.078 0.000 1.116 198 R HN 0.072 nan 8.270 nan 0.000 0.524 199 T N 1.328 115.968 114.554 0.143 0.000 2.916 199 T HA 0.188 4.528 4.350 -0.015 0.000 0.303 199 T C 0.013 174.568 174.700 -0.241 0.000 1.025 199 T CA 0.326 62.435 62.100 0.016 0.000 1.142 199 T CB 1.478 70.402 68.868 0.093 0.000 0.947 199 T HN -0.229 nan 8.240 nan 0.000 0.544 200 V N 5.418 125.178 119.914 -0.257 0.000 2.443 200 V HA 0.425 4.536 4.120 -0.015 0.000 0.293 200 V C -0.147 175.728 176.094 -0.364 0.000 1.021 200 V CA -0.725 61.375 62.300 -0.334 0.000 0.848 200 V CB 1.435 33.109 31.823 -0.249 0.000 0.998 200 V HN 0.768 nan 8.190 nan 0.000 0.424 201 I N 4.066 124.324 120.570 -0.520 0.000 2.330 201 I HA 0.378 4.539 4.170 -0.015 0.000 0.289 201 I C -0.460 175.376 176.117 -0.469 0.000 1.001 201 I CA -0.140 60.804 61.300 -0.592 0.000 1.193 201 I CB 1.441 38.944 38.000 -0.828 0.000 1.345 201 I HN 0.512 nan 8.210 nan 0.000 0.461 202 D N 6.794 127.005 120.400 -0.315 0.000 2.473 202 D HA 0.188 4.819 4.640 -0.015 0.000 0.226 202 D C 0.980 177.269 176.300 -0.019 0.000 1.089 202 D CA -0.393 53.510 54.000 -0.163 0.000 0.883 202 D CB 1.480 42.222 40.800 -0.096 0.000 1.029 202 D HN 0.255 nan 8.370 nan 0.000 0.517 203 V N 3.844 123.708 119.914 -0.083 0.000 2.231 203 V HA -0.316 3.795 4.120 -0.015 0.000 0.250 203 V C 2.640 178.876 176.094 0.237 0.000 1.058 203 V CA 2.320 64.708 62.300 0.147 0.000 1.022 203 V CB -1.101 30.684 31.823 -0.064 0.000 0.640 203 V HN 0.624 nan 8.190 nan 0.000 0.445 204 A N -0.232 122.652 122.820 0.106 0.000 1.917 204 A HA -0.259 4.052 4.320 -0.015 0.000 0.219 204 A C 2.199 179.869 177.584 0.142 0.000 1.182 204 A CA 2.205 54.341 52.037 0.165 0.000 0.633 204 A CB -0.476 18.567 19.000 0.071 0.000 0.819 204 A HN 0.620 nan 8.150 nan 0.000 0.448 205 K N -1.206 119.256 120.400 0.103 0.000 2.404 205 K HA 0.233 4.543 4.320 -0.015 0.000 0.194 205 K C 0.885 177.544 176.600 0.097 0.000 1.023 205 K CA 0.377 56.711 56.287 0.079 0.000 1.094 205 K CB -0.088 32.437 32.500 0.041 0.000 0.841 205 K HN 0.603 nan 8.250 nan 0.000 0.523 206 G N 2.838 111.735 108.800 0.162 0.000 2.390 206 G HA2 -0.312 3.639 3.960 -0.015 0.000 0.299 206 G HA3 -0.312 3.639 3.960 -0.015 0.000 0.299 206 G C -0.312 174.647 174.900 0.098 0.000 1.002 206 G CA 0.803 45.938 45.100 0.059 0.000 0.979 206 G HN 0.485 nan 8.290 nan 0.000 0.513 207 E N -1.325 119.051 120.200 0.293 0.000 2.343 207 E HA 0.677 5.018 4.350 -0.015 0.000 0.270 207 E C -0.935 175.820 176.600 0.259 0.000 0.895 207 E CA -0.977 55.556 56.400 0.222 0.000 0.767 207 E CB 2.329 32.083 29.700 0.090 0.000 1.248 207 E HN 0.147 nan 8.360 nan 0.000 0.440 208 V N 3.850 123.879 119.914 0.191 0.000 2.531 208 V HA 0.546 4.657 4.120 -0.015 0.000 0.301 208 V C -0.382 175.741 176.094 0.049 0.000 1.034 208 V CA -0.536 61.825 62.300 0.102 0.000 0.865 208 V CB 1.498 33.445 31.823 0.207 0.000 0.995 208 V HN 0.728 nan 8.190 nan 0.000 0.424 209 R N 3.165 123.654 120.500 -0.018 0.000 2.885 209 R HA 0.708 5.038 4.340 -0.015 0.000 0.260 209 R C -1.058 175.224 176.300 -0.031 0.000 1.107 209 R CA -1.127 54.962 56.100 -0.018 0.000 0.978 209 R CB 1.627 31.902 30.300 -0.041 0.000 1.227 209 R HN 0.317 nan 8.270 nan 0.000 0.473 210 K N 0.704 121.093 120.400 -0.018 0.000 2.263 210 K HA 0.403 4.714 4.320 -0.015 0.000 0.272 210 K C -0.796 175.783 176.600 -0.034 0.000 1.033 210 K CA -0.230 56.051 56.287 -0.009 0.000 0.884 210 K CB 1.432 33.941 32.500 0.016 0.000 1.107 210 K HN 0.808 nan 8.250 nan 0.000 0.460 211 G N 2.623 111.397 108.800 -0.043 0.000 3.122 211 G HA2 0.201 4.152 3.960 -0.015 0.000 0.180 211 G HA3 0.201 4.152 3.960 -0.015 0.000 0.180 211 G C 0.061 174.953 174.900 -0.012 0.000 1.279 211 G CA -0.218 44.846 45.100 -0.059 0.000 0.987 211 G HN 0.614 nan 8.290 nan 0.000 0.589 212 E N -0.483 119.716 120.200 -0.002 0.000 2.400 212 E HA 0.178 4.519 4.350 -0.015 0.000 0.195 212 E C 0.169 176.805 176.600 0.061 0.000 1.012 212 E CA 0.476 56.894 56.400 0.029 0.000 0.875 212 E CB 0.354 30.070 29.700 0.026 0.000 0.859 212 E HN 0.623 nan 8.360 nan 0.000 0.498 213 E N -1.001 119.251 120.200 0.086 0.000 2.445 213 E HA 0.221 4.561 4.350 -0.015 0.000 0.279 213 E C -1.030 175.660 176.600 0.150 0.000 1.018 213 E CA -0.999 55.474 56.400 0.122 0.000 0.816 213 E CB 0.577 30.351 29.700 0.124 0.000 1.356 213 E HN -0.154 nan 8.360 nan 0.000 0.462 214 F N 1.812 121.757 119.950 -0.009 0.000 2.541 214 F HA 0.354 4.870 4.527 -0.018 0.000 0.378 214 F C -1.058 174.722 175.800 -0.033 0.000 1.068 214 F CA 0.023 57.981 58.000 -0.070 0.000 1.199 214 F CB 0.095 39.013 39.000 -0.136 0.000 1.091 214 F HN 0.430 nan 8.300 nan 0.000 0.555 215 F N 6.206 125.739 119.950 -0.696 0.000 2.617 215 F HA 0.494 5.011 4.527 -0.016 0.000 0.325 215 F C -1.540 173.861 175.800 -0.665 0.000 1.179 215 F CA -0.949 56.736 58.000 -0.526 0.000 0.965 215 F CB 1.273 40.093 39.000 -0.301 0.000 1.232 215 F HN 0.038 nan 8.300 nan 0.000 0.461 216 V N 7.281 127.013 119.914 -0.303 0.000 2.277 216 V HA 0.188 4.299 4.120 -0.015 0.000 0.269 216 V C -0.104 175.938 176.094 -0.088 0.000 1.036 216 V CA -0.787 61.318 62.300 -0.324 0.000 0.821 216 V CB 1.073 32.636 31.823 -0.432 0.000 1.052 216 V HN 0.571 nan 8.190 nan 0.000 0.462 217 V N 2.556 122.503 119.914 0.054 0.000 2.585 217 V HA 0.285 4.396 4.120 -0.015 0.000 0.296 217 V C 0.379 176.427 176.094 -0.077 0.000 1.035 217 V CA -0.142 62.230 62.300 0.119 0.000 1.084 217 V CB 1.326 33.151 31.823 0.003 0.000 0.953 217 V HN 0.797 nan 8.190 nan 0.000 0.483 218 D N 6.537 126.915 120.400 -0.036 0.000 2.401 218 D HA 0.252 4.883 4.640 -0.015 0.000 0.254 218 D C -1.648 174.549 176.300 -0.171 0.000 1.192 218 D CA -1.844 52.103 54.000 -0.087 0.000 0.885 218 D CB 1.865 42.701 40.800 0.060 0.000 1.147 218 D HN 0.471 nan 8.370 nan 0.000 0.478 219 P HA -0.111 nan 4.420 nan 0.000 0.219 219 P C 1.148 178.253 177.300 -0.326 0.000 1.146 219 P CA 0.511 63.283 63.100 -0.547 0.000 0.808 219 P CB 0.382 31.164 31.700 -1.531 0.000 0.779 220 V N -1.299 118.503 119.914 -0.188 0.000 3.541 220 V HA 0.063 4.174 4.120 -0.015 0.000 0.267 220 V C 0.526 176.585 176.094 -0.059 0.000 1.213 220 V CA 0.874 63.144 62.300 -0.050 0.000 1.149 220 V CB -0.609 31.288 31.823 0.122 0.000 0.822 220 V HN 0.128 nan 8.190 nan 0.000 0.462 221 D N -0.225 120.153 120.400 -0.037 0.000 2.296 221 D HA 0.074 4.705 4.640 -0.015 0.000 0.224 221 D C 0.785 177.084 176.300 -0.001 0.000 1.324 221 D CA -0.183 53.801 54.000 -0.028 0.000 0.940 221 D CB 0.903 41.693 40.800 -0.016 0.000 1.492 221 D HN -0.086 nan 8.370 nan 0.000 0.531 222 E N 1.412 121.602 120.200 -0.017 0.000 2.393 222 E HA -0.147 4.194 4.350 -0.015 0.000 0.201 222 E C 1.146 177.765 176.600 0.032 0.000 1.025 222 E CA 0.732 57.124 56.400 -0.014 0.000 0.856 222 E CB 0.303 29.975 29.700 -0.046 0.000 0.771 222 E HN 0.422 nan 8.360 nan 0.000 0.526 223 K N 0.227 120.661 120.400 0.057 0.000 2.356 223 K HA 0.063 4.374 4.320 -0.015 0.000 0.195 223 K C 0.930 177.654 176.600 0.207 0.000 1.037 223 K CA -0.043 56.309 56.287 0.110 0.000 1.014 223 K CB 0.371 32.901 32.500 0.050 0.000 0.815 223 K HN -0.013 nan 8.250 nan 0.000 0.507 224 R N 2.290 122.876 120.500 0.143 0.000 2.254 224 R HA 0.093 4.424 4.340 -0.015 0.000 0.318 224 R C -0.425 175.840 176.300 -0.058 0.000 1.031 224 R CA -0.263 55.868 56.100 0.051 0.000 0.905 224 R CB 0.444 30.769 30.300 0.042 0.000 1.050 224 R HN -0.169 nan 8.270 nan 0.000 0.456 225 N N 3.771 122.203 118.700 -0.447 0.000 2.439 225 N HA 0.043 4.774 4.740 -0.015 0.000 0.249 225 N C 0.439 175.680 175.510 -0.448 0.000 1.003 225 N CA -0.269 52.206 53.050 -0.958 0.000 0.942 225 N CB 1.565 39.069 38.487 -1.639 0.000 1.115 225 N HN 0.419 nan 8.380 nan 0.000 0.505 226 V N 2.638 122.368 119.914 -0.306 0.000 2.913 226 V HA -0.067 4.044 4.120 -0.015 0.000 0.260 226 V C 1.501 177.476 176.094 -0.199 0.000 1.098 226 V CA 1.910 64.105 62.300 -0.175 0.000 1.121 226 V CB -0.758 30.952 31.823 -0.190 0.000 0.714 226 V HN 0.797 nan 8.190 nan 0.000 0.487 227 A N -0.817 121.833 122.820 -0.283 0.000 2.630 227 A HA 0.671 4.982 4.320 -0.015 0.000 0.290 227 A C 1.896 179.342 177.584 -0.229 0.000 1.267 227 A CA 0.568 52.464 52.037 -0.236 0.000 0.950 227 A CB -0.064 18.834 19.000 -0.171 0.000 1.144 227 A HN 0.377 nan 8.150 nan 0.000 0.527 228 A N 0.726 123.387 122.820 -0.265 0.000 1.940 228 A HA -0.200 4.111 4.320 -0.015 0.000 0.219 228 A C 1.693 179.185 177.584 -0.153 0.000 1.176 228 A CA 1.991 53.888 52.037 -0.232 0.000 0.631 228 A CB -0.369 18.496 19.000 -0.225 0.000 0.814 228 A HN 0.513 nan 8.150 nan 0.000 0.446 229 N N -1.008 117.593 118.700 -0.165 0.000 2.268 229 N HA 0.117 4.848 4.740 -0.015 0.000 0.204 229 N C -0.161 175.258 175.510 -0.152 0.000 1.124 229 N CA -0.255 52.699 53.050 -0.161 0.000 0.838 229 N CB -0.265 38.065 38.487 -0.262 0.000 0.994 229 N HN 0.346 nan 8.380 nan 0.000 0.489 230 L N 1.633 122.749 121.223 -0.178 0.000 2.369 230 L HA 0.301 4.632 4.340 -0.015 0.000 0.279 230 L C 0.346 177.137 176.870 -0.132 0.000 1.108 230 L CA -0.394 54.312 54.840 -0.222 0.000 0.852 230 L CB 0.066 41.882 42.059 -0.405 0.000 1.169 230 L HN 0.147 nan 8.230 nan 0.000 0.452 231 S N 4.256 119.913 115.700 -0.072 0.000 2.579 231 S HA 0.084 4.544 4.470 -0.015 0.000 0.275 231 S C 1.156 175.736 174.600 -0.033 0.000 1.345 231 S CA -0.252 57.935 58.200 -0.021 0.000 1.031 231 S CB 0.727 63.941 63.200 0.024 0.000 0.892 231 S HN 0.804 nan 8.310 nan 0.000 0.529 232 L N 1.088 122.305 121.223 -0.010 0.000 2.042 232 L HA -0.089 4.242 4.340 -0.015 0.000 0.210 232 L C 1.730 178.603 176.870 0.004 0.000 1.076 232 L CA 2.105 56.940 54.840 -0.008 0.000 0.749 232 L CB -1.079 40.987 42.059 0.013 0.000 0.893 232 L HN 0.775 nan 8.230 nan 0.000 0.432 233 D N -0.770 119.641 120.400 0.017 0.000 2.183 233 D HA -0.134 4.497 4.640 -0.015 0.000 0.203 233 D C 1.946 178.278 176.300 0.054 0.000 0.969 233 D CA 1.258 55.276 54.000 0.029 0.000 0.842 233 D CB -0.224 40.588 40.800 0.021 0.000 0.957 233 D HN 0.563 nan 8.370 nan 0.000 0.484 234 N N 0.015 118.749 118.700 0.057 0.000 2.270 234 N HA -0.092 4.639 4.740 -0.015 0.000 0.181 234 N C 1.773 177.386 175.510 0.172 0.000 1.016 234 N CA 0.068 53.186 53.050 0.112 0.000 0.870 234 N CB 0.135 38.680 38.487 0.096 0.000 0.979 234 N HN 0.020 nan 8.380 nan 0.000 0.431 235 L N 1.168 122.428 121.223 0.061 0.000 2.027 235 L HA -0.008 4.323 4.340 -0.015 0.000 0.206 235 L C 2.158 179.133 176.870 0.174 0.000 1.074 235 L CA 1.404 56.272 54.840 0.047 0.000 0.745 235 L CB -0.653 41.282 42.059 -0.206 0.000 0.898 235 L HN 0.029 nan 8.230 nan 0.000 0.433 236 A N -0.049 122.837 122.820 0.110 0.000 1.902 236 A HA -0.217 4.093 4.320 -0.015 0.000 0.217 236 A C 2.381 180.065 177.584 0.166 0.000 1.181 236 A CA 1.855 53.963 52.037 0.118 0.000 0.623 236 A CB -0.602 18.437 19.000 0.064 0.000 0.818 236 A HN 0.545 nan 8.150 nan 0.000 0.443 237 R N -2.001 118.601 120.500 0.169 0.000 2.105 237 R HA -0.137 4.194 4.340 -0.015 0.000 0.239 237 R C 2.003 178.460 176.300 0.262 0.000 1.135 237 R CA 1.566 57.777 56.100 0.186 0.000 0.967 237 R CB -0.553 29.837 30.300 0.150 0.000 0.861 237 R HN 0.590 nan 8.270 nan 0.000 0.442 238 F N 1.362 121.412 119.950 0.168 0.000 2.113 238 F HA -0.162 4.359 4.527 -0.011 0.000 0.297 238 F C 2.128 177.994 175.800 0.109 0.000 1.103 238 F CA 1.126 59.226 58.000 0.166 0.000 1.248 238 F CB -0.329 38.855 39.000 0.307 0.000 0.999 238 F HN -0.303 nan 8.300 nan 0.000 0.475 239 V N 0.318 120.297 119.914 0.107 0.000 2.343 239 V HA -0.344 3.767 4.120 -0.015 0.000 0.247 239 V C 2.608 178.653 176.094 -0.082 0.000 1.051 239 V CA 2.377 64.636 62.300 -0.069 0.000 1.036 239 V CB -1.051 30.834 31.823 0.103 0.000 0.654 239 V HN 0.518 nan 8.190 nan 0.000 0.451 240 H N -0.379 118.669 119.070 -0.037 0.000 2.357 240 H HA -0.074 4.474 4.556 -0.013 0.000 0.301 240 H C 2.306 177.625 175.328 -0.015 0.000 1.082 240 H CA 1.651 57.689 56.048 -0.018 0.000 1.342 240 H CB 0.084 29.859 29.762 0.022 0.000 1.389 240 H HN 0.333 nan 8.280 nan 0.000 0.511 241 L N -0.168 121.061 121.223 0.011 0.000 2.083 241 L HA -0.230 4.101 4.340 -0.015 0.000 0.209 241 L C 3.003 179.849 176.870 -0.038 0.000 1.083 241 L CA 1.052 55.926 54.840 0.057 0.000 0.752 241 L CB -0.332 41.791 42.059 0.107 0.000 0.899 241 L HN 0.391 nan 8.230 nan 0.000 0.433 242 C N -0.548 118.573 119.300 -0.299 0.000 2.440 242 C HA -0.109 4.342 4.460 -0.015 0.000 0.278 242 C C 2.857 177.681 174.990 -0.277 0.000 1.295 242 C CA 0.429 59.198 59.018 -0.414 0.000 1.738 242 C CB -0.911 26.396 27.740 -0.721 0.000 1.987 242 C HN 0.448 nan 8.230 nan 0.000 0.492 243 R N 0.930 121.271 120.500 -0.265 0.000 2.073 243 R HA -0.137 4.194 4.340 -0.015 0.000 0.234 243 R C 2.099 178.278 176.300 -0.202 0.000 1.134 243 R CA 1.473 57.438 56.100 -0.226 0.000 0.952 243 R CB -0.359 29.807 30.300 -0.222 0.000 0.850 243 R HN 0.652 nan 8.270 nan 0.000 0.433 244 E N -0.095 119.980 120.200 -0.208 0.000 2.110 244 E HA -0.201 4.140 4.350 -0.015 0.000 0.193 244 E C 1.719 178.253 176.600 -0.109 0.000 0.988 244 E CA 1.038 57.382 56.400 -0.093 0.000 0.804 244 E CB -0.150 29.573 29.700 0.038 0.000 0.745 244 E HN 0.218 nan 8.360 nan 0.000 0.458 245 F N 1.236 120.942 119.950 -0.406 0.000 2.102 245 F HA -0.203 4.314 4.527 -0.017 0.000 0.298 245 F C 2.185 177.755 175.800 -0.384 0.000 1.105 245 F CA 1.250 58.826 58.000 -0.707 0.000 1.239 245 F CB -0.030 38.511 39.000 -0.765 0.000 0.991 245 F HN -0.057 nan 8.300 nan 0.000 0.474 246 M N 0.187 119.632 119.600 -0.258 0.000 2.279 246 M HA -0.202 4.269 4.480 -0.015 0.000 0.264 246 M C 2.123 178.262 176.300 -0.270 0.000 1.062 246 M CA 1.493 56.633 55.300 -0.266 0.000 1.099 246 M CB -1.356 31.139 32.600 -0.175 0.000 1.394 246 M HN 0.391 nan 8.290 nan 0.000 0.426 247 E N -0.395 119.668 120.200 -0.228 0.000 2.170 247 E HA 0.087 4.428 4.350 -0.015 0.000 0.191 247 E C 0.034 176.532 176.600 -0.171 0.000 0.981 247 E CA 0.649 56.949 56.400 -0.166 0.000 0.830 247 E CB 0.372 30.004 29.700 -0.113 0.000 0.775 247 E HN 0.318 nan 8.360 nan 0.000 0.470 248 A N 1.708 124.400 122.820 -0.213 0.000 3.300 248 A HA 0.362 4.673 4.320 -0.015 0.000 0.300 248 A C -2.719 174.708 177.584 -0.262 0.000 1.099 248 A CA -1.189 50.751 52.037 -0.161 0.000 0.846 248 A CB 0.447 19.429 19.000 -0.030 0.000 1.255 248 A HN -0.004 nan 8.150 nan 0.000 0.519 249 P HA 0.170 nan 4.420 nan 0.000 0.261 249 P C 0.049 177.233 177.300 -0.193 0.000 1.183 249 P CA 0.925 63.529 63.100 -0.826 0.000 0.761 249 P CB 0.872 32.116 31.700 -0.759 0.000 0.785 250 S N 2.532 118.322 115.700 0.149 0.000 2.556 250 S HA 0.318 4.779 4.470 -0.015 0.000 0.271 250 S C 0.294 175.244 174.600 0.583 0.000 1.135 250 S CA -0.641 57.780 58.200 0.369 0.000 0.858 250 S CB 0.818 64.270 63.200 0.419 0.000 1.114 250 S HN 0.245 nan 8.310 nan 0.000 0.468 251 L N 4.571 126.023 121.223 0.382 0.000 2.376 251 L HA 0.332 4.663 4.340 -0.015 0.000 0.219 251 L C 2.096 179.219 176.870 0.422 0.000 1.133 251 L CA 2.255 57.333 54.840 0.398 0.000 0.816 251 L CB -0.945 41.221 42.059 0.179 0.000 0.933 251 L HN 0.917 nan 8.230 nan 0.000 0.449 252 G N -1.024 107.961 108.800 0.308 0.000 2.479 252 G HA2 -0.300 3.651 3.960 -0.015 0.000 0.220 252 G HA3 -0.300 3.651 3.960 -0.015 0.000 0.220 252 G C 1.280 176.211 174.900 0.052 0.000 1.115 252 G CA 0.661 45.830 45.100 0.115 0.000 0.757 252 G HN 0.434 nan 8.290 nan 0.000 0.560 253 F N -0.489 119.543 119.950 0.137 0.000 2.546 253 F HA 0.214 4.735 4.527 -0.010 0.000 0.298 253 F C 1.362 176.940 175.800 -0.370 0.000 1.120 253 F CA 0.410 58.335 58.000 -0.125 0.000 1.456 253 F CB -0.012 38.987 39.000 -0.002 0.000 1.088 253 F HN 0.099 nan 8.300 nan 0.000 0.572 254 F N -0.426 119.616 119.950 0.154 0.000 2.661 254 F HA 0.230 4.747 4.527 -0.018 0.000 0.306 254 F C 0.470 176.269 175.800 -0.002 0.000 1.094 254 F CA -0.332 57.703 58.000 0.059 0.000 1.254 254 F CB -0.115 38.920 39.000 0.059 0.000 1.040 254 F HN -0.374 nan 8.300 nan 0.000 0.562 255 K N 1.516 121.984 120.400 0.112 0.000 2.235 255 K HA 0.377 4.688 4.320 -0.015 0.000 0.266 255 K C -2.648 173.933 176.600 -0.031 0.000 0.980 255 K CA -1.939 54.370 56.287 0.035 0.000 0.849 255 K CB 1.158 33.659 32.500 0.002 0.000 1.098 255 K HN -0.228 nan 8.250 nan 0.000 0.445 256 P HA -0.054 nan 4.420 nan 0.000 0.265 256 P C -0.825 176.455 177.300 -0.033 0.000 1.193 256 P CA -0.007 63.087 63.100 -0.010 0.000 0.765 256 P CB 0.422 32.144 31.700 0.036 0.000 0.823 257 K N 2.535 122.906 120.400 -0.048 0.000 2.382 257 K HA 0.105 4.416 4.320 -0.015 0.000 0.275 257 K C 0.335 176.967 176.600 0.053 0.000 1.009 257 K CA 0.146 56.398 56.287 -0.058 0.000 0.970 257 K CB -0.070 32.390 32.500 -0.066 0.000 0.934 257 K HN 0.588 nan 8.250 nan 0.000 0.479 258 H N 2.627 121.680 119.070 -0.028 0.000 2.803 258 H HA 0.003 4.551 4.556 -0.014 0.000 0.330 258 H C -1.163 174.153 175.328 -0.021 0.000 1.057 258 H CA -1.541 54.495 56.048 -0.019 0.000 1.458 258 H CB 0.651 30.404 29.762 -0.016 0.000 1.470 258 H HN 0.356 nan 8.280 nan 0.000 0.560 259 P HA -0.204 nan 4.420 nan 0.000 0.220 259 P C -0.033 177.279 177.300 0.019 0.000 1.142 259 P CA 0.588 63.707 63.100 0.032 0.000 0.801 259 P CB 0.115 31.819 31.700 0.007 0.000 0.764 260 L N -0.258 120.984 121.223 0.033 0.000 3.701 260 L HA -0.226 4.105 4.340 -0.015 0.000 0.574 260 L C 0.074 176.940 176.870 -0.006 0.000 1.049 260 L CA 0.617 55.467 54.840 0.017 0.000 0.951 260 L CB -1.425 40.646 42.059 0.020 0.000 1.081 260 L HN 0.136 nan 8.230 nan 0.000 0.729 261 E N 2.894 123.085 120.200 -0.015 0.000 2.391 261 E HA 0.607 4.948 4.350 -0.015 0.000 0.255 261 E C 0.121 176.705 176.600 -0.026 0.000 1.187 261 E CA -0.028 56.359 56.400 -0.022 0.000 0.941 261 E CB 1.064 30.751 29.700 -0.023 0.000 1.010 261 E HN 0.559 nan 8.360 nan 0.000 0.458 262 I N 1.037 121.587 120.570 -0.034 0.000 2.686 262 I HA 0.137 4.298 4.170 -0.015 0.000 0.295 262 I C -0.852 175.234 176.117 -0.052 0.000 1.114 262 I CA -0.835 60.438 61.300 -0.046 0.000 1.038 262 I CB 1.336 39.300 38.000 -0.060 0.000 1.238 262 I HN 0.531 nan 8.210 nan 0.000 0.420 263 E N 8.525 128.692 120.200 -0.055 0.000 2.384 263 E HA 0.124 4.465 4.350 -0.015 0.000 0.266 263 E C -2.253 174.293 176.600 -0.090 0.000 1.012 263 E CA -1.489 54.878 56.400 -0.055 0.000 0.901 263 E CB 0.674 30.347 29.700 -0.046 0.000 0.967 263 E HN 0.417 nan 8.360 nan 0.000 0.435 264 P HA -0.217 nan 4.420 nan 0.000 0.220 264 P C 1.087 178.253 177.300 -0.223 0.000 1.144 264 P CA 1.264 64.286 63.100 -0.130 0.000 0.800 264 P CB 0.420 32.123 31.700 0.005 0.000 0.772 265 E N 0.834 120.959 120.200 -0.126 0.000 2.051 265 E HA -0.182 4.159 4.350 -0.015 0.000 0.192 265 E C 2.391 178.895 176.600 -0.160 0.000 0.991 265 E CA 1.193 57.524 56.400 -0.116 0.000 0.799 265 E CB -0.774 28.891 29.700 -0.057 0.000 0.748 265 E HN 0.050 nan 8.360 nan 0.000 0.449 266 R N -0.312 120.100 120.500 -0.145 0.000 2.081 266 R HA -0.132 4.198 4.340 -0.015 0.000 0.235 266 R C 2.333 178.510 176.300 -0.204 0.000 1.131 266 R CA 1.331 57.350 56.100 -0.136 0.000 0.960 266 R CB -0.439 29.802 30.300 -0.099 0.000 0.856 266 R HN 0.299 nan 8.270 nan 0.000 0.436 267 L N 1.573 122.611 121.223 -0.308 0.000 2.012 267 L HA -0.209 4.122 4.340 -0.015 0.000 0.210 267 L C 2.553 179.081 176.870 -0.570 0.000 1.073 267 L CA 1.900 56.480 54.840 -0.432 0.000 0.748 267 L CB -0.661 41.050 42.059 -0.579 0.000 0.891 267 L HN 0.145 nan 8.230 nan 0.000 0.431 268 R N -0.360 119.673 120.500 -0.778 0.000 2.094 268 R HA -0.221 4.109 4.340 -0.015 0.000 0.239 268 R C 2.353 178.570 176.300 -0.138 0.000 1.137 268 R CA 2.065 57.882 56.100 -0.471 0.000 0.943 268 R CB -0.231 29.946 30.300 -0.206 0.000 0.850 268 R HN 0.375 nan 8.270 nan 0.000 0.433 269 K N 0.113 120.439 120.400 -0.123 0.000 2.103 269 K HA -0.155 4.156 4.320 -0.015 0.000 0.207 269 K C 2.144 178.720 176.600 -0.041 0.000 1.048 269 K CA 1.744 57.997 56.287 -0.055 0.000 0.930 269 K CB -0.183 32.285 32.500 -0.053 0.000 0.716 269 K HN 0.313 nan 8.250 nan 0.000 0.444 270 I N 0.505 121.034 120.570 -0.069 0.000 2.252 270 I HA -0.243 3.918 4.170 -0.015 0.000 0.245 270 I C 2.183 178.298 176.117 -0.003 0.000 1.102 270 I CA 0.893 62.169 61.300 -0.039 0.000 1.385 270 I CB -0.169 37.797 38.000 -0.056 0.000 1.064 270 I HN -0.084 nan 8.210 nan 0.000 0.414 271 V N 0.676 120.597 119.914 0.011 0.000 2.515 271 V HA -0.270 3.841 4.120 -0.015 0.000 0.250 271 V C 2.446 178.590 176.094 0.083 0.000 1.058 271 V CA 1.919 64.270 62.300 0.085 0.000 1.064 271 V CB -0.594 31.353 31.823 0.206 0.000 0.675 271 V HN 0.486 nan 8.190 nan 0.000 0.461 272 E N 0.208 120.447 120.200 0.066 0.000 2.072 272 E HA -0.235 4.106 4.350 -0.015 0.000 0.191 272 E C 2.161 178.786 176.600 0.042 0.000 0.985 272 E CA 1.299 57.734 56.400 0.060 0.000 0.801 272 E CB -0.025 29.703 29.700 0.048 0.000 0.750 272 E HN 0.703 nan 8.360 nan 0.000 0.452 273 E N 0.098 120.314 120.200 0.027 0.000 2.110 273 E HA -0.176 4.165 4.350 -0.015 0.000 0.193 273 E C 2.204 178.821 176.600 0.028 0.000 0.988 273 E CA 0.946 57.358 56.400 0.021 0.000 0.804 273 E CB 0.018 29.723 29.700 0.008 0.000 0.745 273 E HN 0.213 nan 8.360 nan 0.000 0.458 274 R N -0.608 119.913 120.500 0.036 0.000 2.153 274 R HA 0.018 4.349 4.340 -0.015 0.000 0.218 274 R C 1.502 177.832 176.300 0.050 0.000 1.072 274 R CA 0.652 56.777 56.100 0.041 0.000 0.990 274 R CB 0.039 30.367 30.300 0.047 0.000 0.889 274 R HN 0.256 nan 8.270 nan 0.000 0.452 275 G N 1.813 110.647 108.800 0.057 0.000 2.179 275 G HA2 -0.318 3.633 3.960 -0.015 0.000 0.257 275 G HA3 -0.318 3.633 3.960 -0.015 0.000 0.257 275 G C 0.321 175.265 174.900 0.073 0.000 1.010 275 G CA 0.825 45.962 45.100 0.061 0.000 0.736 275 G HN 0.503 nan 8.290 nan 0.000 0.513 276 T N -2.424 112.180 114.554 0.083 0.000 2.897 276 T HA 0.803 5.144 4.350 -0.015 0.000 0.278 276 T C 0.343 175.113 174.700 0.118 0.000 0.981 276 T CA 0.147 62.305 62.100 0.097 0.000 0.973 276 T CB 2.216 71.138 68.868 0.090 0.000 1.092 276 T HN 1.641 nan 8.240 nan 0.000 0.543 277 A N 1.010 123.915 122.820 0.141 0.000 2.260 277 A HA 0.647 4.958 4.320 -0.015 0.000 0.308 277 A C -0.484 177.223 177.584 0.205 0.000 1.254 277 A CA -0.701 51.453 52.037 0.195 0.000 0.874 277 A CB 0.169 19.309 19.000 0.234 0.000 1.153 277 A HN 0.771 nan 8.150 nan 0.000 0.527 278 V N 4.065 124.100 119.914 0.202 0.000 2.531 278 V HA 0.733 4.844 4.120 -0.015 0.000 0.301 278 V C -0.685 175.518 176.094 0.181 0.000 1.034 278 V CA -0.265 62.095 62.300 0.101 0.000 0.865 278 V CB 0.712 32.600 31.823 0.108 0.000 0.995 278 V HN 0.933 nan 8.190 nan 0.000 0.424 279 F N 2.517 122.521 119.950 0.090 0.000 2.745 279 F HA 1.014 5.532 4.527 -0.015 0.000 0.316 279 F C -0.515 175.384 175.800 0.165 0.000 1.155 279 F CA -1.162 56.884 58.000 0.077 0.000 0.937 279 F CB 1.514 40.551 39.000 0.062 0.000 1.361 279 F HN 0.629 nan 8.300 nan 0.000 0.472 280 A N 0.575 123.658 122.820 0.439 0.000 2.539 280 A HA 0.762 5.073 4.320 -0.015 0.000 0.296 280 A C -2.020 175.837 177.584 0.455 0.000 1.073 280 A CA -0.906 51.355 52.037 0.373 0.000 0.700 280 A CB 1.720 20.866 19.000 0.243 0.000 1.296 280 A HN 0.907 nan 8.150 nan 0.000 0.405 281 V N 2.027 122.219 119.914 0.462 0.000 2.370 281 V HA 0.455 4.565 4.120 -0.015 0.000 0.279 281 V C 0.159 176.458 176.094 0.342 0.000 1.029 281 V CA -0.339 62.213 62.300 0.421 0.000 0.870 281 V CB 1.167 33.240 31.823 0.418 0.000 0.984 281 V HN 0.859 nan 8.190 nan 0.000 0.451 282 K N 5.943 126.479 120.400 0.227 0.000 2.292 282 K HA 0.756 5.067 4.320 -0.015 0.000 0.257 282 K C -1.185 175.411 176.600 -0.006 0.000 0.940 282 K CA -0.464 55.791 56.287 -0.053 0.000 0.811 282 K CB 1.436 33.858 32.500 -0.130 0.000 1.120 282 K HN 0.575 nan 8.250 nan 0.000 0.428 283 F N -0.572 119.310 119.950 -0.114 0.000 2.745 283 F HA 0.537 5.054 4.527 -0.015 0.000 0.316 283 F C -1.030 174.939 175.800 0.283 0.000 1.155 283 F CA -1.490 56.495 58.000 -0.025 0.000 0.937 283 F CB 0.870 39.836 39.000 -0.056 0.000 1.361 283 F HN 0.238 nan 8.300 nan 0.000 0.472 284 R N 1.381 122.183 120.500 0.504 0.000 2.390 284 R HA 0.259 4.590 4.340 -0.015 0.000 0.291 284 R C -0.438 175.917 176.300 0.091 0.000 1.070 284 R CA -0.898 55.332 56.100 0.217 0.000 1.014 284 R CB 1.176 31.585 30.300 0.181 0.000 1.007 284 R HN 0.638 nan 8.270 nan 0.000 0.466 285 K N 4.753 125.091 120.400 -0.103 0.000 2.412 285 K HA 0.097 4.408 4.320 -0.015 0.000 0.284 285 K C -2.139 174.462 176.600 0.002 0.000 1.046 285 K CA -1.284 54.963 56.287 -0.067 0.000 0.999 285 K CB 0.458 32.888 32.500 -0.117 0.000 0.941 285 K HN 0.223 nan 8.250 nan 0.000 0.474 286 P HA 0.002 nan 4.420 nan 0.000 0.271 286 P C -1.001 176.303 177.300 0.007 0.000 1.218 286 P CA -0.217 62.906 63.100 0.039 0.000 0.780 286 P CB 0.521 32.252 31.700 0.052 0.000 0.901 287 D N 2.807 123.205 120.400 -0.004 0.000 2.545 287 D HA 0.157 4.788 4.640 -0.015 0.000 0.227 287 D C -0.128 176.169 176.300 -0.004 0.000 1.150 287 D CA 0.035 54.029 54.000 -0.010 0.000 1.046 287 D CB -1.025 39.763 40.800 -0.021 0.000 1.098 287 D HN 0.233 nan 8.370 nan 0.000 0.502 288 I N -1.332 119.243 120.570 0.009 0.000 3.145 288 I HA 0.564 4.725 4.170 -0.015 0.000 0.313 288 I C -0.004 176.137 176.117 0.041 0.000 1.122 288 I CA -1.512 59.798 61.300 0.015 0.000 0.987 288 I CB 1.536 39.544 38.000 0.013 0.000 1.236 288 I HN -0.121 nan 8.210 nan 0.000 0.453 289 V N -0.410 119.536 119.914 0.053 0.000 2.881 289 V HA 0.227 4.338 4.120 -0.015 0.000 0.303 289 V C 0.705 176.881 176.094 0.137 0.000 1.070 289 V CA 0.052 62.403 62.300 0.086 0.000 1.074 289 V CB 0.754 32.627 31.823 0.084 0.000 1.012 289 V HN 0.840 nan 8.190 nan 0.000 0.482 290 D N 1.450 121.962 120.400 0.186 0.000 2.203 290 D HA -0.179 4.452 4.640 -0.015 0.000 0.199 290 D C 1.550 178.037 176.300 0.311 0.000 0.997 290 D CA 2.003 56.197 54.000 0.323 0.000 0.863 290 D CB -0.125 40.800 40.800 0.209 0.000 0.928 290 D HN 0.805 nan 8.370 nan 0.000 0.458 291 D N -0.396 120.130 120.400 0.210 0.000 2.310 291 D HA -0.044 4.587 4.640 -0.015 0.000 0.212 291 D C 1.442 177.836 176.300 0.157 0.000 0.965 291 D CA 0.475 54.622 54.000 0.244 0.000 0.879 291 D CB 0.039 40.977 40.800 0.229 0.000 0.921 291 D HN 0.216 nan 8.370 nan 0.000 0.510 292 N N -0.178 118.583 118.700 0.102 0.000 2.454 292 N HA -0.010 4.721 4.740 -0.015 0.000 0.177 292 N C 1.749 177.258 175.510 -0.002 0.000 1.049 292 N CA -0.050 53.012 53.050 0.019 0.000 0.887 292 N CB 0.307 38.803 38.487 0.016 0.000 1.095 292 N HN 0.144 nan 8.380 nan 0.000 0.446 293 L N 0.459 121.713 121.223 0.052 0.000 2.023 293 L HA -0.024 4.306 4.340 -0.015 0.000 0.205 293 L C 1.846 178.648 176.870 -0.113 0.000 1.073 293 L CA 1.621 56.449 54.840 -0.020 0.000 0.745 293 L CB -0.770 41.279 42.059 -0.017 0.000 0.900 293 L HN -0.010 nan 8.230 nan 0.000 0.435 294 Y N 0.019 120.291 120.300 -0.047 0.000 2.181 294 Y HA -0.109 4.432 4.550 -0.015 0.000 0.288 294 Y C -0.374 175.402 175.900 -0.207 0.000 1.146 294 Y CA 1.673 59.716 58.100 -0.095 0.000 1.164 294 Y CB -2.076 36.435 38.460 0.085 0.000 0.982 294 Y HN 0.299 nan 8.280 nan 0.000 0.515 295 P HA -0.143 nan 4.420 nan 0.000 0.220 295 P C 1.116 178.294 177.300 -0.204 0.000 1.148 295 P CA 1.658 64.619 63.100 -0.232 0.000 0.803 295 P CB 0.008 31.426 31.700 -0.470 0.000 0.782 296 Q N -1.034 118.652 119.800 -0.190 0.000 2.137 296 Q HA -0.016 4.315 4.340 -0.015 0.000 0.198 296 Q C 2.074 177.943 176.000 -0.219 0.000 0.960 296 Q CA 0.926 56.627 55.803 -0.171 0.000 0.847 296 Q CB -0.488 28.173 28.738 -0.127 0.000 0.915 296 Q HN 0.287 nan 8.270 nan 0.000 0.448 297 L N 0.544 121.551 121.223 -0.360 0.000 2.046 297 L HA -0.197 4.134 4.340 -0.015 0.000 0.208 297 L C 2.118 178.626 176.870 -0.604 0.000 1.077 297 L CA 1.218 55.724 54.840 -0.557 0.000 0.747 297 L CB -0.333 41.099 42.059 -1.045 0.000 0.896 297 L HN 0.260 nan 8.230 nan 0.000 0.432 298 E N -0.192 119.676 120.200 -0.554 0.000 2.077 298 E HA -0.266 4.075 4.350 -0.015 0.000 0.193 298 E C 2.268 178.825 176.600 -0.072 0.000 0.989 298 E CA 1.158 57.427 56.400 -0.218 0.000 0.800 298 E CB -0.068 29.596 29.700 -0.059 0.000 0.746 298 E HN 0.321 nan 8.360 nan 0.000 0.452 299 R N 0.798 121.244 120.500 -0.090 0.000 2.070 299 R HA -0.136 4.195 4.340 -0.015 0.000 0.232 299 R C 2.333 178.639 176.300 0.010 0.000 1.138 299 R CA 1.445 57.525 56.100 -0.033 0.000 0.936 299 R CB -0.336 29.928 30.300 -0.061 0.000 0.839 299 R HN 0.137 nan 8.270 nan 0.000 0.429 300 A N 0.273 123.080 122.820 -0.023 0.000 1.917 300 A HA -0.220 4.091 4.320 -0.015 0.000 0.219 300 A C 2.280 179.955 177.584 0.153 0.000 1.182 300 A CA 2.134 54.187 52.037 0.026 0.000 0.633 300 A CB -0.978 17.999 19.000 -0.039 0.000 0.819 300 A HN 0.519 nan 8.150 nan 0.000 0.448 301 S N -1.188 114.604 115.700 0.154 0.000 2.368 301 S HA -0.195 4.266 4.470 -0.015 0.000 0.225 301 S C 2.228 177.049 174.600 0.369 0.000 1.030 301 S CA 1.592 59.974 58.200 0.302 0.000 0.999 301 S CB -0.334 62.996 63.200 0.217 0.000 0.844 301 S HN 0.641 nan 8.310 nan 0.000 0.459 302 R N 0.366 121.001 120.500 0.224 0.000 2.073 302 R HA -0.009 4.322 4.340 -0.015 0.000 0.229 302 R C 2.016 178.454 176.300 0.231 0.000 1.120 302 R CA 1.085 57.315 56.100 0.217 0.000 0.967 302 R CB -0.102 30.267 30.300 0.116 0.000 0.862 302 R HN 0.176 nan 8.270 nan 0.000 0.436 303 K N 0.664 121.171 120.400 0.178 0.000 2.097 303 K HA -0.118 4.193 4.320 -0.015 0.000 0.206 303 K C 2.051 178.681 176.600 0.050 0.000 1.049 303 K CA 1.220 57.599 56.287 0.152 0.000 0.933 303 K CB -0.256 32.368 32.500 0.206 0.000 0.717 303 K HN 0.343 nan 8.250 nan 0.000 0.442 304 I N -0.221 120.410 120.570 0.102 0.000 2.286 304 I HA -0.212 3.949 4.170 -0.015 0.000 0.245 304 I C 2.259 178.335 176.117 -0.067 0.000 1.104 304 I CA 0.697 61.930 61.300 -0.111 0.000 1.397 304 I CB -0.266 37.691 38.000 -0.071 0.000 1.072 304 I HN -0.071 nan 8.210 nan 0.000 0.417 305 F N 2.060 122.051 119.950 0.069 0.000 2.126 305 F HA -0.250 4.268 4.527 -0.015 0.000 0.299 305 F C 2.416 178.235 175.800 0.031 0.000 1.096 305 F CA 1.866 59.936 58.000 0.116 0.000 1.255 305 F CB -0.132 39.002 39.000 0.223 0.000 0.997 305 F HN 0.024 nan 8.300 nan 0.000 0.479 306 E N -0.787 119.527 120.200 0.190 0.000 2.106 306 E HA -0.227 4.114 4.350 -0.015 0.000 0.192 306 E C 2.016 178.577 176.600 -0.066 0.000 0.984 306 E CA 1.306 57.754 56.400 0.080 0.000 0.806 306 E CB -0.402 29.365 29.700 0.111 0.000 0.750 306 E HN 0.542 nan 8.360 nan 0.000 0.458 307 F N 1.071 120.816 119.950 -0.341 0.000 2.146 307 F HA -0.138 4.379 4.527 -0.015 0.000 0.298 307 F C 1.745 177.377 175.800 -0.280 0.000 1.096 307 F CA 1.167 58.890 58.000 -0.461 0.000 1.275 307 F CB -0.084 38.311 39.000 -1.007 0.000 1.008 307 F HN -0.087 nan 8.300 nan 0.000 0.480 308 L N 0.572 121.637 121.223 -0.263 0.000 2.131 308 L HA -0.194 4.137 4.340 -0.015 0.000 0.210 308 L C 2.494 179.200 176.870 -0.272 0.000 1.092 308 L CA 1.843 56.537 54.840 -0.244 0.000 0.759 308 L CB -0.817 41.098 42.059 -0.239 0.000 0.903 308 L HN 0.334 nan 8.230 nan 0.000 0.435 309 E N 0.745 120.756 120.200 -0.316 0.000 2.076 309 E HA -0.211 4.130 4.350 -0.015 0.000 0.190 309 E C 2.093 178.566 176.600 -0.211 0.000 0.979 309 E CA 0.814 57.069 56.400 -0.241 0.000 0.807 309 E CB -0.300 29.297 29.700 -0.171 0.000 0.761 309 E HN 0.565 nan 8.360 nan 0.000 0.454 310 R N 0.982 121.352 120.500 -0.217 0.000 2.189 310 R HA -0.006 4.325 4.340 -0.015 0.000 0.218 310 R C 1.380 177.506 176.300 -0.290 0.000 1.074 310 R CA 1.164 57.145 56.100 -0.199 0.000 0.991 310 R CB -0.119 30.096 30.300 -0.143 0.000 0.883 310 R HN -0.011 nan 8.270 nan 0.000 0.457 311 E N 1.226 121.175 120.200 -0.418 0.000 2.445 311 E HA 0.036 4.377 4.350 -0.015 0.000 0.189 311 E C -0.657 175.578 176.600 -0.608 0.000 1.069 311 E CA -0.066 56.039 56.400 -0.492 0.000 0.871 311 E CB -0.419 28.915 29.700 -0.610 0.000 0.991 311 E HN 0.444 nan 8.360 nan 0.000 0.481 312 N N -1.107 117.329 118.700 -0.440 0.000 2.735 312 N HA -0.230 4.501 4.740 -0.015 0.000 0.248 312 N C -0.331 174.889 175.510 -0.484 0.000 1.083 312 N CA 0.388 53.196 53.050 -0.404 0.000 0.703 312 N CB -1.201 37.070 38.487 -0.359 0.000 1.005 312 N HN 0.132 nan 8.380 nan 0.000 0.550 313 F N 0.117 119.977 119.950 -0.149 0.000 2.765 313 F HA 0.326 4.844 4.527 -0.015 0.000 0.302 313 F C 1.043 176.793 175.800 -0.082 0.000 1.111 313 F CA 0.104 58.046 58.000 -0.097 0.000 1.359 313 F CB 0.054 38.995 39.000 -0.097 0.000 1.097 313 F HN 0.108 nan 8.300 nan 0.000 0.577 314 M N 0.297 119.893 119.600 -0.006 0.000 2.573 314 M HA -0.177 4.294 4.480 -0.015 0.000 0.184 314 M C -2.593 173.702 176.300 -0.008 0.000 0.953 314 M CA -0.282 55.010 55.300 -0.014 0.000 0.592 314 M CB -1.738 30.873 32.600 0.018 0.000 1.151 314 M HN -0.166 nan 8.290 nan 0.000 0.850 315 P HA 0.181 nan 4.420 nan 0.000 0.271 315 P C 0.338 177.685 177.300 0.078 0.000 1.216 315 P CA -0.024 62.974 63.100 -0.170 0.000 0.776 315 P CB 0.770 31.952 31.700 -0.864 0.000 0.881 316 L N 1.714 123.068 121.223 0.218 0.000 2.265 316 L HA 0.231 4.562 4.340 -0.015 0.000 0.195 316 L C 1.169 178.256 176.870 0.361 0.000 1.083 316 L CA 0.973 55.963 54.840 0.249 0.000 0.798 316 L CB -0.071 42.075 42.059 0.146 0.000 0.989 316 L HN 0.361 nan 8.230 nan 0.000 0.472 317 R N -1.273 119.451 120.500 0.373 0.000 2.734 317 R HA 0.428 4.759 4.340 -0.015 0.000 0.271 317 R C -1.199 175.253 176.300 0.253 0.000 1.021 317 R CA -0.421 55.815 56.100 0.227 0.000 0.893 317 R CB 2.217 32.547 30.300 0.050 0.000 1.244 317 R HN 0.101 nan 8.270 nan 0.000 0.464 318 S N -0.004 115.722 115.700 0.043 0.000 2.638 318 S HA 0.973 5.434 4.470 -0.015 0.000 0.302 318 S C -0.826 173.674 174.600 -0.166 0.000 1.096 318 S CA -0.465 57.704 58.200 -0.051 0.000 0.953 318 S CB 2.490 65.756 63.200 0.111 0.000 1.107 318 S HN 0.825 nan 8.310 nan 0.000 0.503 319 A N 0.420 123.082 122.820 -0.263 0.000 2.536 319 A HA 0.898 5.209 4.320 -0.015 0.000 0.293 319 A C -1.707 175.811 177.584 -0.110 0.000 1.119 319 A CA -0.807 51.088 52.037 -0.237 0.000 0.654 319 A CB 0.704 19.554 19.000 -0.250 0.000 1.291 319 A HN 2.015 nan 8.150 nan 0.000 0.439 320 F N -1.693 118.211 119.950 -0.077 0.000 2.708 320 F HA 0.819 5.337 4.527 -0.015 0.000 0.309 320 F C -1.174 174.642 175.800 0.027 0.000 1.120 320 F CA -0.824 57.160 58.000 -0.026 0.000 0.978 320 F CB 1.403 40.392 39.000 -0.018 0.000 1.283 320 F HN 0.597 nan 8.300 nan 0.000 0.439 321 K N 2.274 122.844 120.400 0.284 0.000 2.468 321 K HA 0.842 5.153 4.320 -0.015 0.000 0.252 321 K C -1.682 175.080 176.600 0.270 0.000 0.932 321 K CA -0.552 55.876 56.287 0.235 0.000 0.794 321 K CB 2.303 34.879 32.500 0.126 0.000 1.241 321 K HN 1.176 nan 8.250 nan 0.000 0.428 322 A N 2.095 125.033 122.820 0.197 0.000 2.325 322 A HA 0.788 5.099 4.320 -0.015 0.000 0.333 322 A C -0.709 176.966 177.584 0.151 0.000 1.155 322 A CA -0.419 51.671 52.037 0.089 0.000 0.814 322 A CB 1.132 20.100 19.000 -0.053 0.000 1.206 322 A HN 0.698 nan 8.150 nan 0.000 0.482 323 S N -0.476 115.291 115.700 0.112 0.000 2.806 323 S HA 0.391 4.851 4.470 -0.015 0.000 0.306 323 S C 0.457 175.086 174.600 0.047 0.000 1.167 323 S CA -0.660 57.614 58.200 0.124 0.000 0.847 323 S CB 1.022 64.349 63.200 0.211 0.000 1.216 323 S HN 0.688 nan 8.310 nan 0.000 0.532 324 E N 1.758 121.979 120.200 0.034 0.000 2.047 324 E HA -0.159 4.182 4.350 -0.015 0.000 0.191 324 E C 1.862 178.400 176.600 -0.105 0.000 0.987 324 E CA 1.519 57.908 56.400 -0.018 0.000 0.799 324 E CB -0.272 29.423 29.700 -0.009 0.000 0.752 324 E HN 0.785 nan 8.360 nan 0.000 0.449 325 E N -0.119 119.994 120.200 -0.144 0.000 2.004 325 E HA -0.069 4.272 4.350 -0.015 0.000 0.193 325 E C 0.481 176.685 176.600 -0.661 0.000 0.985 325 E CA 0.695 56.820 56.400 -0.458 0.000 0.832 325 E CB -0.284 29.224 29.700 -0.321 0.000 0.787 325 E HN 0.045 nan 8.360 nan 0.000 0.466 326 F N -0.134 119.733 119.950 -0.137 0.000 2.712 326 F HA 0.532 5.050 4.527 -0.015 0.000 0.367 326 F C -0.117 175.373 175.800 -0.516 0.000 1.132 326 F CA -1.273 56.514 58.000 -0.354 0.000 1.066 326 F CB 1.247 39.960 39.000 -0.479 0.000 1.416 326 F HN 0.122 nan 8.300 nan 0.000 0.515 327 C N -0.059 118.826 119.300 -0.692 0.000 2.707 327 C HA 0.712 5.162 4.460 -0.015 0.000 0.313 327 C C -1.505 172.942 174.990 -0.904 0.000 1.209 327 C CA -1.092 57.480 59.018 -0.743 0.000 1.635 327 C CB 1.139 28.301 27.740 -0.962 0.000 2.206 327 C HN 0.595 nan 8.230 nan 0.000 0.485 328 Y N 1.699 121.902 120.300 -0.161 0.000 2.346 328 Y HA 0.588 5.129 4.550 -0.015 0.000 0.332 328 Y C -0.186 175.757 175.900 0.072 0.000 0.985 328 Y CA -0.681 57.403 58.100 -0.027 0.000 1.112 328 Y CB 0.793 39.247 38.460 -0.010 0.000 1.170 328 Y HN 0.367 nan 8.280 nan 0.000 0.447 329 L N 5.527 126.916 121.223 0.276 0.000 2.257 329 L HA 0.496 4.827 4.340 -0.015 0.000 0.290 329 L C -1.010 175.778 176.870 -0.137 0.000 1.044 329 L CA -0.692 54.230 54.840 0.135 0.000 0.810 329 L CB 0.705 42.965 42.059 0.335 0.000 1.193 329 L HN 0.463 nan 8.230 nan 0.000 0.425 330 L N 4.096 125.054 121.223 -0.443 0.000 2.325 330 L HA 0.617 4.948 4.340 -0.015 0.000 0.278 330 L C -0.565 175.706 176.870 -0.998 0.000 1.023 330 L CA 0.072 54.614 54.840 -0.496 0.000 0.811 330 L CB 1.264 43.180 42.059 -0.239 0.000 1.249 330 L HN 0.238 nan 8.230 nan 0.000 0.431 331 F N -0.168 119.594 119.950 -0.314 0.000 2.629 331 F HA 0.647 5.165 4.527 -0.015 0.000 0.316 331 F C -0.241 175.308 175.800 -0.419 0.000 1.081 331 F CA -0.789 56.977 58.000 -0.390 0.000 0.954 331 F CB 2.008 40.610 39.000 -0.665 0.000 1.337 331 F HN 0.408 nan 8.300 nan 0.000 0.474 332 E N 1.010 121.206 120.200 -0.007 0.000 2.291 332 E HA 0.639 4.980 4.350 -0.015 0.000 0.276 332 E C -2.041 174.606 176.600 0.079 0.000 0.896 332 E CA -0.403 56.006 56.400 0.014 0.000 0.774 332 E CB 1.733 31.461 29.700 0.046 0.000 1.227 332 E HN 0.749 nan 8.360 nan 0.000 0.413 333 C N 3.287 122.647 119.300 0.100 0.000 2.634 333 C HA 0.290 4.741 4.460 -0.015 0.000 0.313 333 C C 1.231 176.295 174.990 0.123 0.000 1.198 333 C CA -0.562 58.529 59.018 0.122 0.000 1.605 333 C CB 1.835 29.679 27.740 0.173 0.000 2.196 333 C HN 0.876 nan 8.230 nan 0.000 0.486 334 Q N 0.739 120.604 119.800 0.109 0.000 2.230 334 Q HA 0.040 4.371 4.340 -0.015 0.000 0.202 334 Q C 0.112 176.179 176.000 0.112 0.000 0.963 334 Q CA 0.942 56.802 55.803 0.095 0.000 0.866 334 Q CB 0.148 28.928 28.738 0.071 0.000 0.931 334 Q HN 0.587 nan 8.270 nan 0.000 0.452 335 I N 1.490 122.156 120.570 0.159 0.000 2.306 335 I HA 0.105 4.266 4.170 -0.015 0.000 0.288 335 I C 0.808 177.069 176.117 0.239 0.000 1.036 335 I CA 0.042 61.462 61.300 0.201 0.000 1.221 335 I CB 1.159 39.305 38.000 0.243 0.000 1.385 335 I HN 0.023 nan 8.210 nan 0.000 0.472 336 K N 3.643 124.141 120.400 0.163 0.000 2.167 336 K HA 0.026 4.337 4.320 -0.015 0.000 0.203 336 K C 0.499 177.180 176.600 0.134 0.000 1.052 336 K CA 0.828 57.189 56.287 0.123 0.000 0.956 336 K CB 0.564 33.120 32.500 0.093 0.000 0.735 336 K HN 0.587 nan 8.250 nan 0.000 0.451 337 E N 0.430 120.732 120.200 0.169 0.000 2.335 337 E HA 0.358 4.699 4.350 -0.015 0.000 0.280 337 E C -1.863 174.842 176.600 0.174 0.000 0.918 337 E CA -0.455 56.053 56.400 0.181 0.000 0.765 337 E CB 1.697 31.463 29.700 0.110 0.000 1.218 337 E HN 0.013 nan 8.360 nan 0.000 0.425 338 I N 2.452 123.140 120.570 0.195 0.000 2.846 338 I HA 0.452 4.613 4.170 -0.015 0.000 0.307 338 I C -0.055 176.106 176.117 0.075 0.000 1.053 338 I CA -0.642 60.709 61.300 0.086 0.000 1.050 338 I CB 1.876 39.857 38.000 -0.032 0.000 1.239 338 I HN 0.774 nan 8.210 nan 0.000 0.439 339 S N 4.571 120.294 115.700 0.038 0.000 2.589 339 S HA 0.160 4.620 4.470 -0.015 0.000 0.265 339 S C 0.897 175.535 174.600 0.062 0.000 1.342 339 S CA -0.168 58.054 58.200 0.037 0.000 1.005 339 S CB 1.212 64.417 63.200 0.007 0.000 0.909 339 S HN 0.813 nan 8.310 nan 0.000 0.555 340 R N 0.289 120.827 120.500 0.063 0.000 2.075 340 R HA 0.088 4.419 4.340 -0.015 0.000 0.226 340 R C 0.773 177.159 176.300 0.144 0.000 1.114 340 R CA 1.022 57.177 56.100 0.093 0.000 0.972 340 R CB -0.600 29.749 30.300 0.082 0.000 0.869 340 R HN 0.763 nan 8.270 nan 0.000 0.437 341 V N -0.070 119.888 119.914 0.073 0.000 2.775 341 V HA 0.454 4.564 4.120 -0.015 0.000 0.299 341 V C -0.347 175.861 176.094 0.190 0.000 1.062 341 V CA -0.667 61.666 62.300 0.054 0.000 1.063 341 V CB 0.770 32.473 31.823 -0.200 0.000 0.994 341 V HN 0.253 nan 8.190 nan 0.000 0.483 342 F N 1.878 121.889 119.950 0.103 0.000 2.711 342 F HA 0.859 5.377 4.527 -0.015 0.000 0.313 342 F C -0.537 175.428 175.800 0.274 0.000 1.141 342 F CA -1.590 56.489 58.000 0.131 0.000 0.941 342 F CB 1.598 40.629 39.000 0.051 0.000 1.349 342 F HN 0.784 nan 8.300 nan 0.000 0.464 343 R N 1.532 122.234 120.500 0.335 0.000 2.532 343 R HA 0.705 5.036 4.340 -0.015 0.000 0.295 343 R C -1.204 175.301 176.300 0.342 0.000 0.968 343 R CA -0.957 55.300 56.100 0.262 0.000 0.916 343 R CB 2.188 32.681 30.300 0.321 0.000 1.124 343 R HN 0.936 nan 8.270 nan 0.000 0.463 344 R N 3.324 123.971 120.500 0.245 0.000 2.393 344 R HA 0.269 4.600 4.340 -0.015 0.000 0.315 344 R C -0.478 175.917 176.300 0.159 0.000 0.952 344 R CA -0.616 55.640 56.100 0.260 0.000 0.842 344 R CB 1.565 31.976 30.300 0.185 0.000 1.163 344 R HN 0.799 nan 8.270 nan 0.000 0.450 345 M N 3.670 123.205 119.600 -0.108 0.000 2.245 345 M HA 0.288 4.759 4.480 -0.015 0.000 0.344 345 M C -0.244 175.607 176.300 -0.748 0.000 1.170 345 M CA 0.594 55.359 55.300 -0.892 0.000 1.135 345 M CB 0.863 32.966 32.600 -0.828 0.000 1.574 345 M HN 0.851 nan 8.290 nan 0.000 0.452 346 G N 3.923 112.061 108.800 -1.104 0.000 3.175 346 G HA2 0.735 4.686 3.960 -0.015 0.000 0.255 346 G HA3 0.735 4.686 3.960 -0.015 0.000 0.255 346 G C -3.030 171.371 174.900 -0.832 0.000 1.352 346 G CA -1.077 43.220 45.100 -1.338 0.000 1.037 346 G HN 0.532 nan 8.290 nan 0.000 0.556 347 P HA 0.146 nan 4.420 nan 0.000 0.274 347 P C -0.661 176.535 177.300 -0.174 0.000 1.246 347 P CA -0.146 62.752 63.100 -0.336 0.000 0.795 347 P CB 0.963 32.511 31.700 -0.253 0.000 1.006 348 Q N 0.127 119.844 119.800 -0.139 0.000 2.373 348 Q HA 0.066 4.397 4.340 -0.015 0.000 0.255 348 Q C 1.203 177.199 176.000 -0.006 0.000 0.980 348 Q CA -0.138 55.608 55.803 -0.096 0.000 0.882 348 Q CB 0.144 28.770 28.738 -0.186 0.000 1.249 348 Q HN 0.484 nan 8.270 nan 0.000 0.438 349 F N 1.372 121.365 119.950 0.072 0.000 2.236 349 F HA -0.222 4.296 4.527 -0.015 0.000 0.302 349 F C 1.252 177.128 175.800 0.126 0.000 1.073 349 F CA 1.414 59.513 58.000 0.164 0.000 1.336 349 F CB -0.235 38.790 39.000 0.042 0.000 1.040 349 F HN 0.534 nan 8.300 nan 0.000 0.507 350 E N 0.139 119.956 120.200 -0.639 0.000 2.150 350 E HA -0.196 4.145 4.350 -0.015 0.000 0.193 350 E C 0.421 176.937 176.600 -0.140 0.000 0.985 350 E CA 1.030 57.173 56.400 -0.428 0.000 0.814 350 E CB -0.771 28.601 29.700 -0.547 0.000 0.752 350 E HN 0.434 nan 8.360 nan 0.000 0.466 351 D N 2.222 122.551 120.400 -0.118 0.000 2.597 351 D HA -0.050 4.581 4.640 -0.015 0.000 0.228 351 D C 1.115 177.398 176.300 -0.029 0.000 1.120 351 D CA 0.063 54.020 54.000 -0.072 0.000 1.083 351 D CB -0.028 40.717 40.800 -0.092 0.000 1.116 351 D HN 0.188 nan 8.370 nan 0.000 0.487 352 E N 2.305 122.501 120.200 -0.006 0.000 2.147 352 E HA -0.317 4.024 4.350 -0.015 0.000 0.199 352 E C 1.735 178.323 176.600 -0.020 0.000 1.005 352 E CA 1.006 57.411 56.400 0.008 0.000 0.810 352 E CB 0.221 29.932 29.700 0.018 0.000 0.736 352 E HN 0.347 nan 8.360 nan 0.000 0.460 353 R N 0.284 120.767 120.500 -0.028 0.000 2.061 353 R HA -0.089 4.242 4.340 -0.015 0.000 0.230 353 R C 2.212 178.487 176.300 -0.040 0.000 1.140 353 R CA 1.889 57.969 56.100 -0.032 0.000 0.940 353 R CB -0.144 30.138 30.300 -0.030 0.000 0.839 353 R HN 0.167 nan 8.270 nan 0.000 0.429 354 N N 0.029 118.700 118.700 -0.049 0.000 2.244 354 N HA -0.122 4.609 4.740 -0.015 0.000 0.183 354 N C 1.748 177.222 175.510 -0.059 0.000 1.016 354 N CA 1.253 54.271 53.050 -0.054 0.000 0.866 354 N CB -0.072 38.369 38.487 -0.078 0.000 0.980 354 N HN 0.093 nan 8.380 nan 0.000 0.430 355 V N 1.647 121.509 119.914 -0.086 0.000 2.295 355 V HA -0.220 3.891 4.120 -0.015 0.000 0.246 355 V C 2.505 178.501 176.094 -0.162 0.000 1.049 355 V CA 1.524 63.726 62.300 -0.163 0.000 1.024 355 V CB -0.407 31.323 31.823 -0.154 0.000 0.648 355 V HN 0.321 nan 8.190 nan 0.000 0.447 356 K N 0.066 120.400 120.400 -0.111 0.000 2.057 356 K HA -0.209 4.102 4.320 -0.015 0.000 0.207 356 K C 2.227 178.779 176.600 -0.080 0.000 1.049 356 K CA 1.546 57.772 56.287 -0.102 0.000 0.931 356 K CB -0.096 32.365 32.500 -0.065 0.000 0.714 356 K HN 0.406 nan 8.250 nan 0.000 0.440 357 K N -0.330 120.045 120.400 -0.042 0.000 2.057 357 K HA -0.146 4.165 4.320 -0.015 0.000 0.206 357 K C 1.979 178.573 176.600 -0.011 0.000 1.050 357 K CA 1.328 57.600 56.287 -0.025 0.000 0.935 357 K CB -0.244 32.253 32.500 -0.005 0.000 0.715 357 K HN 0.120 nan 8.250 nan 0.000 0.439 358 F N 1.569 121.419 119.950 -0.168 0.000 2.269 358 F HA -0.092 4.426 4.527 -0.015 0.000 0.301 358 F C 1.473 177.144 175.800 -0.214 0.000 1.082 358 F CA 1.146 59.034 58.000 -0.186 0.000 1.360 358 F CB 0.095 38.959 39.000 -0.226 0.000 1.041 358 F HN -0.092 nan 8.300 nan 0.000 0.512 359 L N -0.433 120.645 121.223 -0.242 0.000 2.592 359 L HA 0.033 4.363 4.340 -0.015 0.000 0.227 359 L C 2.233 178.967 176.870 -0.227 0.000 1.127 359 L CA 0.766 55.413 54.840 -0.322 0.000 0.884 359 L CB -0.639 41.213 42.059 -0.344 0.000 1.065 359 L HN 0.214 nan 8.230 nan 0.000 0.457 360 S N -1.176 114.417 115.700 -0.178 0.000 2.446 360 S HA 0.027 4.488 4.470 -0.015 0.000 0.225 360 S C 1.212 175.735 174.600 -0.130 0.000 1.016 360 S CA -0.160 57.964 58.200 -0.126 0.000 0.943 360 S CB -0.018 63.129 63.200 -0.089 0.000 0.786 360 S HN 0.208 nan 8.310 nan 0.000 0.508 361 R N 4.397 124.793 120.500 -0.174 0.000 2.446 361 R HA 0.102 4.433 4.340 -0.015 0.000 0.314 361 R C -0.247 175.966 176.300 -0.144 0.000 1.003 361 R CA 0.027 56.033 56.100 -0.157 0.000 1.018 361 R CB -0.271 29.905 30.300 -0.207 0.000 0.945 361 R HN 0.680 nan 8.270 nan 0.000 0.419 362 N N 4.009 122.650 118.700 -0.098 0.000 2.452 362 N HA 0.027 4.758 4.740 -0.015 0.000 0.266 362 N C -0.316 175.145 175.510 -0.082 0.000 1.209 362 N CA 0.222 53.222 53.050 -0.083 0.000 0.929 362 N CB 1.160 39.610 38.487 -0.062 0.000 1.063 362 N HN 0.359 nan 8.380 nan 0.000 0.472 363 R N 0.780 121.232 120.500 -0.081 0.000 2.854 363 R HA 0.541 4.872 4.340 -0.015 0.000 0.271 363 R C 0.472 176.726 176.300 -0.076 0.000 0.994 363 R CA -0.780 55.283 56.100 -0.061 0.000 0.945 363 R CB 1.603 31.875 30.300 -0.048 0.000 1.194 363 R HN 0.646 nan 8.270 nan 0.000 0.476 364 A N 1.035 123.789 122.820 -0.110 0.000 2.016 364 A HA 0.024 4.335 4.320 -0.015 0.000 0.217 364 A C 1.031 178.319 177.584 -0.493 0.000 1.162 364 A CA 1.073 52.916 52.037 -0.323 0.000 0.662 364 A CB -0.057 18.682 19.000 -0.436 0.000 0.812 364 A HN 0.615 nan 8.150 nan 0.000 0.450 365 F N -1.476 118.521 119.950 0.078 0.000 2.704 365 F HA 0.335 4.853 4.527 -0.015 0.000 0.304 365 F C 0.742 176.659 175.800 0.195 0.000 1.094 365 F CA 0.292 58.383 58.000 0.151 0.000 1.275 365 F CB 0.475 39.617 39.000 0.237 0.000 1.073 365 F HN 0.174 nan 8.300 nan 0.000 0.586 366 R N 1.659 122.317 120.500 0.263 0.000 1.449 366 R HA -0.107 4.224 4.340 -0.015 0.000 0.409 366 R C -3.100 173.394 176.300 0.324 0.000 1.293 366 R CA -0.368 55.877 56.100 0.242 0.000 1.031 366 R CB -0.950 29.497 30.300 0.245 0.000 3.144 366 R HN 0.006 nan 8.270 nan 0.000 0.495 367 P HA 0.324 nan 4.420 nan 0.000 0.274 367 P C -0.575 177.053 177.300 0.546 0.000 1.256 367 P CA -0.132 63.163 63.100 0.325 0.000 0.795 367 P CB 0.331 32.178 31.700 0.246 0.000 1.038 368 F N -2.037 118.114 119.950 0.335 0.000 2.664 368 F HA 0.676 5.193 4.527 -0.015 0.000 0.317 368 F C -0.869 174.882 175.800 -0.082 0.000 1.108 368 F CA -1.590 56.480 58.000 0.116 0.000 0.957 368 F CB 0.574 39.574 39.000 0.000 0.000 1.365 368 F HN 0.029 nan 8.300 nan 0.000 0.475 369 I N 1.095 121.511 120.570 -0.258 0.000 2.498 369 I HA 0.485 4.646 4.170 -0.015 0.000 0.301 369 I C -0.824 175.292 176.117 -0.001 0.000 0.984 369 I CA -0.494 60.548 61.300 -0.429 0.000 1.204 369 I CB 1.879 39.490 38.000 -0.648 0.000 1.362 369 I HN 0.811 nan 8.210 nan 0.000 0.471 370 E N 6.094 126.325 120.200 0.053 0.000 2.406 370 E HA 0.152 4.493 4.350 -0.015 0.000 0.297 370 E C -1.034 175.651 176.600 0.142 0.000 0.917 370 E CA -0.537 55.921 56.400 0.097 0.000 0.795 370 E CB 0.840 30.568 29.700 0.046 0.000 1.285 370 E HN 0.688 nan 8.360 nan 0.000 0.400 371 N N 3.065 121.808 118.700 0.071 0.000 2.721 371 N HA -0.251 4.480 4.740 -0.015 0.000 0.249 371 N C 0.622 176.206 175.510 0.124 0.000 1.072 371 N CA 1.664 54.768 53.050 0.090 0.000 0.710 371 N CB -1.150 37.403 38.487 0.110 0.000 0.993 371 N HN 1.053 nan 8.380 nan 0.000 0.547 372 G N -0.577 108.285 108.800 0.105 0.000 2.199 372 G HA2 -0.348 3.603 3.960 -0.015 0.000 0.254 372 G HA3 -0.348 3.603 3.960 -0.015 0.000 0.254 372 G C 0.037 175.067 174.900 0.217 0.000 0.982 372 G CA 0.766 46.004 45.100 0.230 0.000 0.632 372 G HN 0.851 nan 8.290 nan 0.000 0.529 373 R N -1.430 119.123 120.500 0.088 0.000 2.836 373 R HA 0.651 4.982 4.340 -0.015 0.000 0.269 373 R C -0.745 175.461 176.300 -0.156 0.000 1.010 373 R CA -1.321 54.754 56.100 -0.042 0.000 0.930 373 R CB 0.962 31.163 30.300 -0.165 0.000 1.218 373 R HN 0.099 nan 8.270 nan 0.000 0.473 374 W N 0.515 121.646 121.300 -0.280 0.000 2.237 374 W HA 0.370 5.021 4.660 -0.015 0.000 0.335 374 W C -0.644 175.495 176.519 -0.634 0.000 1.230 374 W CA 0.334 57.512 57.345 -0.280 0.000 1.253 374 W CB 0.764 30.122 29.460 -0.171 0.000 1.129 374 W HN 0.434 nan 8.180 nan 0.000 0.590 375 W N 1.011 122.184 121.300 -0.211 0.000 3.127 375 W HA 0.655 5.305 4.660 -0.015 0.000 0.330 375 W C -0.691 175.665 176.519 -0.271 0.000 1.187 375 W CA -1.135 55.971 57.345 -0.398 0.000 1.198 375 W CB 1.177 30.069 29.460 -0.946 0.000 1.408 375 W HN 0.421 nan 8.180 nan 0.000 0.529 376 A N 2.090 125.008 122.820 0.164 0.000 2.386 376 A HA 0.850 5.161 4.320 -0.015 0.000 0.311 376 A C -1.672 175.887 177.584 -0.042 0.000 1.068 376 A CA -0.754 51.300 52.037 0.028 0.000 0.743 376 A CB 0.733 19.701 19.000 -0.052 0.000 1.258 376 A HN 0.547 nan 8.150 nan 0.000 0.429 377 F N 0.923 120.959 119.950 0.143 0.000 2.410 377 F HA 0.500 5.018 4.527 -0.015 0.000 0.348 377 F C 0.774 176.498 175.800 -0.127 0.000 1.106 377 F CA 0.220 58.230 58.000 0.016 0.000 1.163 377 F CB 1.392 40.420 39.000 0.046 0.000 1.129 377 F HN 0.691 nan 8.300 nan 0.000 0.516 378 E N 2.200 122.251 120.200 -0.248 0.000 2.359 378 E HA 0.530 4.871 4.350 -0.015 0.000 0.266 378 E C -1.144 175.299 176.600 -0.262 0.000 0.920 378 E CA -0.769 55.379 56.400 -0.419 0.000 0.788 378 E CB 1.379 30.517 29.700 -0.936 0.000 1.279 378 E HN 0.279 nan 8.360 nan 0.000 0.438 379 M N 1.758 121.372 119.600 0.024 0.000 2.294 379 M HA 0.470 4.941 4.480 -0.015 0.000 0.335 379 M C -0.301 176.153 176.300 0.256 0.000 1.079 379 M CA -0.430 54.971 55.300 0.168 0.000 0.982 379 M CB 1.373 34.050 32.600 0.129 0.000 1.651 379 M HN 0.398 nan 8.290 nan 0.000 0.437 380 R N 1.274 121.906 120.500 0.220 0.000 2.582 380 R HA 0.270 4.601 4.340 -0.015 0.000 0.271 380 R C 0.968 177.196 176.300 -0.121 0.000 1.078 380 R CA -0.505 55.577 56.100 -0.030 0.000 1.127 380 R CB 1.312 31.509 30.300 -0.172 0.000 1.038 380 R HN 0.479 nan 8.270 nan 0.000 0.500 381 K N 1.478 121.682 120.400 -0.327 0.000 2.400 381 K HA 0.072 4.383 4.320 -0.015 0.000 0.194 381 K C -0.161 176.432 176.600 -0.011 0.000 1.033 381 K CA 0.685 56.891 56.287 -0.135 0.000 1.021 381 K CB 0.206 32.684 32.500 -0.038 0.000 0.808 381 K HN 0.374 nan 8.250 nan 0.000 0.505 382 F N -2.146 117.886 119.950 0.136 0.000 2.654 382 F HA 0.281 4.799 4.527 -0.015 0.000 0.308 382 F C 0.344 176.251 175.800 0.178 0.000 1.108 382 F CA -1.221 56.864 58.000 0.142 0.000 0.957 382 F CB 0.876 39.970 39.000 0.157 0.000 1.309 382 F HN -0.182 nan 8.300 nan 0.000 0.446 383 T N -2.503 112.297 114.554 0.410 0.000 3.091 383 T HA 0.385 4.726 4.350 -0.015 0.000 0.277 383 T C 0.023 174.954 174.700 0.384 0.000 0.996 383 T CA 0.484 62.797 62.100 0.356 0.000 0.897 383 T CB -0.500 68.486 68.868 0.197 0.000 1.109 383 T HN 1.110 nan 8.240 nan 0.000 0.534 384 T N -1.499 113.207 114.554 0.253 0.000 2.903 384 T HA 0.598 4.939 4.350 -0.015 0.000 0.299 384 T C -2.615 171.663 174.700 -0.703 0.000 1.093 384 T CA -1.767 60.288 62.100 -0.076 0.000 1.002 384 T CB 2.172 70.984 68.868 -0.093 0.000 1.127 384 T HN -0.317 nan 8.240 nan 0.000 0.488 385 P HA -0.033 nan 4.420 nan 0.000 0.215 385 P C 1.114 177.854 177.300 -0.933 0.000 1.153 385 P CA 1.090 63.377 63.100 -1.356 0.000 0.853 385 P CB 0.112 31.422 31.700 -0.651 0.000 0.788 386 E N -0.056 119.596 120.200 -0.914 0.000 2.058 386 E HA -0.197 4.144 4.350 -0.015 0.000 0.194 386 E C 2.021 178.338 176.600 -0.472 0.000 0.997 386 E CA 1.253 57.146 56.400 -0.845 0.000 0.801 386 E CB -0.730 28.609 29.700 -0.601 0.000 0.746 386 E HN 0.389 nan 8.360 nan 0.000 0.450 387 E N -0.235 119.757 120.200 -0.346 0.000 2.051 387 E HA -0.146 4.195 4.350 -0.015 0.000 0.192 387 E C 2.199 178.596 176.600 -0.338 0.000 0.991 387 E CA 1.020 57.303 56.400 -0.194 0.000 0.799 387 E CB -0.338 29.355 29.700 -0.011 0.000 0.748 387 E HN 0.373 nan 8.360 nan 0.000 0.449 388 G N 0.590 109.036 108.800 -0.590 0.000 2.446 388 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.217 388 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.217 388 G C 1.696 176.324 174.900 -0.453 0.000 1.168 388 G CA 1.026 45.568 45.100 -0.931 0.000 0.771 388 G HN 0.161 nan 8.290 nan 0.000 0.551 389 V N 0.855 120.563 119.914 -0.343 0.000 2.515 389 V HA -0.113 3.997 4.120 -0.015 0.000 0.250 389 V C 2.756 178.708 176.094 -0.236 0.000 1.058 389 V CA 1.874 63.968 62.300 -0.344 0.000 1.064 389 V CB -0.453 31.220 31.823 -0.250 0.000 0.675 389 V HN 0.408 nan 8.190 nan 0.000 0.461 390 R N 0.115 120.542 120.500 -0.122 0.000 2.081 390 R HA -0.182 4.149 4.340 -0.015 0.000 0.235 390 R C 2.577 178.922 176.300 0.075 0.000 1.131 390 R CA 1.960 58.133 56.100 0.122 0.000 0.960 390 R CB -0.396 29.945 30.300 0.068 0.000 0.856 390 R HN 0.494 nan 8.270 nan 0.000 0.436 391 S N -0.379 115.281 115.700 -0.066 0.000 2.345 391 S HA -0.201 4.260 4.470 -0.015 0.000 0.220 391 S C 1.850 176.397 174.600 -0.089 0.000 1.031 391 S CA 1.195 59.385 58.200 -0.017 0.000 0.996 391 S CB -0.531 62.686 63.200 0.029 0.000 0.882 391 S HN 0.557 nan 8.310 nan 0.000 0.445 392 Y N 2.121 122.109 120.300 -0.520 0.000 2.114 392 Y HA -0.028 4.513 4.550 -0.015 0.000 0.284 392 Y C 2.459 178.114 175.900 -0.409 0.000 1.143 392 Y CA 1.510 59.166 58.100 -0.740 0.000 1.135 392 Y CB -1.022 36.439 38.460 -1.666 0.000 0.980 392 Y HN 0.312 nan 8.280 nan 0.000 0.499 393 A N -1.066 121.475 122.820 -0.465 0.000 2.019 393 A HA -0.148 4.163 4.320 -0.015 0.000 0.219 393 A C 2.376 179.764 177.584 -0.327 0.000 1.164 393 A CA 1.878 53.563 52.037 -0.586 0.000 0.644 393 A CB -0.975 17.400 19.000 -1.042 0.000 0.805 393 A HN 0.495 nan 8.150 nan 0.000 0.449 394 S N -0.772 114.900 115.700 -0.046 0.000 2.406 394 S HA -0.094 4.367 4.470 -0.015 0.000 0.228 394 S C 2.093 176.809 174.600 0.193 0.000 1.020 394 S CA 1.793 60.110 58.200 0.196 0.000 0.965 394 S CB -0.254 63.080 63.200 0.224 0.000 0.798 394 S HN 0.909 nan 8.310 nan 0.000 0.488 395 T N -1.854 112.762 114.554 0.104 0.000 3.015 395 T HA 0.148 4.489 4.350 -0.015 0.000 0.250 395 T C 0.763 175.367 174.700 -0.160 0.000 1.057 395 T CA 0.278 62.425 62.100 0.078 0.000 1.066 395 T CB -0.229 68.693 68.868 0.090 0.000 0.959 395 T HN 0.338 nan 8.240 nan 0.000 0.488 396 H N 0.782 119.589 119.070 -0.438 0.000 2.487 396 H HA 0.319 4.866 4.556 -0.015 0.000 0.290 396 H C 1.488 176.444 175.328 -0.619 0.000 1.081 396 H CA -1.115 54.554 56.048 -0.633 0.000 1.116 396 H CB -0.417 28.743 29.762 -1.003 0.000 1.560 396 H HN 0.509 nan 8.280 nan 0.000 0.548 397 W N -0.098 121.050 121.300 -0.252 0.000 2.308 397 W HA -0.271 4.380 4.660 -0.015 0.000 0.301 397 W C 1.413 177.828 176.519 -0.173 0.000 1.220 397 W CA 1.209 58.408 57.345 -0.243 0.000 1.240 397 W CB -0.981 28.371 29.460 -0.180 0.000 1.142 397 W HN 0.396 nan 8.180 nan 0.000 0.521 398 H N 0.753 118.943 119.070 -1.466 0.000 2.456 398 H HA -0.117 4.430 4.556 -0.015 0.000 0.296 398 H C 1.384 176.385 175.328 -0.546 0.000 1.079 398 H CA 2.097 57.380 56.048 -1.274 0.000 1.322 398 H CB -0.220 28.584 29.762 -1.597 0.000 1.388 398 H HN 0.101 nan 8.280 nan 0.000 0.538 399 T N 0.459 114.798 114.554 -0.357 0.000 3.144 399 T HA 0.156 4.497 4.350 -0.015 0.000 0.249 399 T C 1.187 175.795 174.700 -0.152 0.000 1.089 399 T CA -0.245 61.744 62.100 -0.184 0.000 0.989 399 T CB -0.286 68.547 68.868 -0.058 0.000 0.992 399 T HN 0.252 nan 8.240 nan 0.000 0.540 400 L N 1.367 122.470 121.223 -0.200 0.000 2.912 400 L HA 0.493 4.824 4.340 -0.015 0.000 0.240 400 L C 0.863 177.637 176.870 -0.159 0.000 1.262 400 L CA -0.587 54.166 54.840 -0.144 0.000 1.058 400 L CB -0.374 41.587 42.059 -0.164 0.000 1.383 400 L HN 0.280 nan 8.230 nan 0.000 0.512 401 G N 0.696 109.391 108.800 -0.174 0.000 2.907 401 G HA2 -0.215 3.736 3.960 -0.015 0.000 0.686 401 G HA3 -0.215 3.736 3.960 -0.015 0.000 0.686 401 G C 0.122 174.918 174.900 -0.173 0.000 1.115 401 G CA -0.145 44.861 45.100 -0.156 0.000 0.760 401 G HN 0.234 nan 8.290 nan 0.000 0.620 402 K N 1.081 121.388 120.400 -0.155 0.000 2.020 402 K HA -0.128 4.183 4.320 -0.015 0.000 0.212 402 K C 2.218 178.781 176.600 -0.061 0.000 1.050 402 K CA 2.738 58.946 56.287 -0.131 0.000 0.929 402 K CB -0.195 32.253 32.500 -0.086 0.000 0.714 402 K HN 0.516 nan 8.250 nan 0.000 0.443 403 N N -0.419 118.252 118.700 -0.047 0.000 2.258 403 N HA -0.080 4.651 4.740 -0.015 0.000 0.183 403 N C 1.884 177.384 175.510 -0.016 0.000 1.029 403 N CA 1.297 54.338 53.050 -0.015 0.000 0.857 403 N CB -0.336 38.146 38.487 -0.008 0.000 1.008 403 N HN -0.011 nan 8.380 nan 0.000 0.433 404 V N 1.726 121.615 119.914 -0.043 0.000 2.324 404 V HA -0.208 3.903 4.120 -0.015 0.000 0.250 404 V C 2.494 178.458 176.094 -0.217 0.000 1.060 404 V CA 2.234 64.476 62.300 -0.096 0.000 1.042 404 V CB -1.234 30.519 31.823 -0.117 0.000 0.650 404 V HN 0.390 nan 8.190 nan 0.000 0.450 405 G N -1.070 107.653 108.800 -0.128 0.000 2.422 405 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.218 405 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.218 405 G C 1.469 176.486 174.900 0.195 0.000 1.146 405 G CA 0.871 45.965 45.100 -0.010 0.000 0.769 405 G HN 0.576 nan 8.290 nan 0.000 0.547 406 E N 0.088 120.364 120.200 0.127 0.000 2.106 406 E HA -0.078 4.263 4.350 -0.015 0.000 0.192 406 E C 2.674 179.239 176.600 -0.057 0.000 0.984 406 E CA 0.981 57.410 56.400 0.048 0.000 0.806 406 E CB -0.078 29.651 29.700 0.049 0.000 0.750 406 E HN 0.417 nan 8.360 nan 0.000 0.458 407 S N 0.377 116.066 115.700 -0.017 0.000 2.387 407 S HA -0.076 4.385 4.470 -0.015 0.000 0.226 407 S C 1.954 176.561 174.600 0.011 0.000 1.026 407 S CA 0.582 58.807 58.200 0.042 0.000 0.972 407 S CB -0.099 63.202 63.200 0.168 0.000 0.814 407 S HN 0.181 nan 8.310 nan 0.000 0.477 408 I N 1.382 121.857 120.570 -0.158 0.000 2.315 408 I HA -0.138 4.023 4.170 -0.015 0.000 0.248 408 I C 2.838 178.942 176.117 -0.021 0.000 1.117 408 I CA 1.175 62.365 61.300 -0.182 0.000 1.404 408 I CB -0.377 37.369 38.000 -0.423 0.000 1.071 408 I HN 0.359 nan 8.210 nan 0.000 0.419 409 R N 1.750 122.157 120.500 -0.155 0.000 2.081 409 R HA -0.220 4.110 4.340 -0.015 0.000 0.235 409 R C 2.028 178.187 176.300 -0.235 0.000 1.131 409 R CA 2.128 57.971 56.100 -0.428 0.000 0.960 409 R CB -0.207 29.350 30.300 -1.239 0.000 0.856 409 R HN 0.567 nan 8.270 nan 0.000 0.436 410 E N -1.694 118.422 120.200 -0.138 0.000 2.371 410 E HA -0.124 4.217 4.350 -0.015 0.000 0.194 410 E C -0.249 176.434 176.600 0.138 0.000 1.012 410 E CA 0.353 56.734 56.400 -0.031 0.000 0.860 410 E CB 0.067 29.753 29.700 -0.023 0.000 0.811 410 E HN 0.437 nan 8.360 nan 0.000 0.502 411 Y N -0.123 120.202 120.300 0.042 0.000 2.380 411 Y HA 0.368 4.908 4.550 -0.015 0.000 0.320 411 Y C -2.118 173.930 175.900 0.246 0.000 1.272 411 Y CA -1.475 56.674 58.100 0.082 0.000 1.165 411 Y CB 1.078 39.585 38.460 0.079 0.000 1.319 411 Y HN 0.052 nan 8.280 nan 0.000 0.443 412 F N 4.570 124.002 119.950 -0.864 0.000 2.704 412 F HA 0.655 5.173 4.527 -0.015 0.000 0.312 412 F C -2.174 173.339 175.800 -0.479 0.000 1.108 412 F CA -0.579 56.954 58.000 -0.778 0.000 1.005 412 F CB 1.169 39.995 39.000 -0.289 0.000 1.277 412 F HN 0.582 nan 8.300 nan 0.000 0.445 413 E N 3.777 123.795 120.200 -0.303 0.000 2.416 413 E HA 0.741 5.082 4.350 -0.015 0.000 0.273 413 E C -1.803 174.867 176.600 0.116 0.000 0.935 413 E CA -1.180 55.109 56.400 -0.186 0.000 0.784 413 E CB 3.201 32.860 29.700 -0.069 0.000 1.301 413 E HN 0.724 nan 8.360 nan 0.000 0.454 414 I N 2.122 122.748 120.570 0.093 0.000 2.362 414 I HA 0.310 4.471 4.170 -0.015 0.000 0.289 414 I C -0.683 175.489 176.117 0.091 0.000 0.994 414 I CA -1.092 60.300 61.300 0.154 0.000 1.158 414 I CB 1.156 39.214 38.000 0.096 0.000 1.315 414 I HN 0.421 nan 8.210 nan 0.000 0.451 415 I N 5.470 126.122 120.570 0.137 0.000 2.412 415 I HA 0.486 4.646 4.170 -0.015 0.000 0.296 415 I C 0.288 176.453 176.117 0.079 0.000 0.987 415 I CA -0.234 61.111 61.300 0.075 0.000 1.180 415 I CB 1.454 39.492 38.000 0.064 0.000 1.340 415 I HN 0.604 nan 8.210 nan 0.000 0.455 416 S N 2.795 118.492 115.700 -0.005 0.000 2.638 416 S HA 0.924 5.385 4.470 -0.015 0.000 0.274 416 S C -0.047 174.444 174.600 -0.181 0.000 1.157 416 S CA -0.113 58.063 58.200 -0.041 0.000 0.826 416 S CB 1.936 65.159 63.200 0.039 0.000 1.139 416 S HN 1.455 nan 8.310 nan 0.000 0.474 417 G N 1.504 110.131 108.800 -0.289 0.000 2.601 417 G HA2 -0.230 3.721 3.960 -0.015 0.000 0.252 417 G HA3 -0.230 3.721 3.960 -0.015 0.000 0.252 417 G C 0.486 175.008 174.900 -0.630 0.000 1.294 417 G CA 0.424 45.321 45.100 -0.338 0.000 0.912 417 G HN 0.850 nan 8.290 nan 0.000 0.574 418 E N 0.305 120.385 120.200 -0.199 0.000 2.097 418 E HA -0.199 4.142 4.350 -0.015 0.000 0.196 418 E C 2.287 178.836 176.600 -0.086 0.000 1.000 418 E CA 1.587 57.989 56.400 0.003 0.000 0.804 418 E CB -0.262 29.498 29.700 0.099 0.000 0.740 418 E HN 0.654 nan 8.360 nan 0.000 0.454 419 K N 0.804 121.138 120.400 -0.110 0.000 2.360 419 K HA -0.147 4.164 4.320 -0.015 0.000 0.201 419 K C 2.064 178.597 176.600 -0.112 0.000 1.046 419 K CA 0.541 56.782 56.287 -0.076 0.000 0.945 419 K CB 0.019 32.486 32.500 -0.055 0.000 0.750 419 K HN 0.041 nan 8.250 nan 0.000 0.464 420 L N -0.094 120.973 121.223 -0.259 0.000 2.168 420 L HA 0.121 4.452 4.340 -0.015 0.000 0.203 420 L C 1.431 178.194 176.870 -0.180 0.000 1.078 420 L CA 1.261 55.947 54.840 -0.257 0.000 0.780 420 L CB -0.375 41.461 42.059 -0.371 0.000 0.939 420 L HN 0.114 nan 8.230 nan 0.000 0.451 421 F N -0.023 119.918 119.950 -0.014 0.000 2.494 421 F HA -0.153 4.365 4.527 -0.015 0.000 0.298 421 F C 1.931 177.709 175.800 -0.037 0.000 1.106 421 F CA 0.578 58.561 58.000 -0.029 0.000 1.452 421 F CB -0.227 38.764 39.000 -0.014 0.000 1.085 421 F HN 0.084 nan 8.300 nan 0.000 0.569 422 K N -0.283 120.177 120.400 0.102 0.000 2.400 422 K HA 0.003 4.314 4.320 -0.015 0.000 0.194 422 K C 0.597 177.203 176.600 0.011 0.000 1.033 422 K CA 0.174 56.494 56.287 0.056 0.000 1.021 422 K CB 0.134 32.660 32.500 0.043 0.000 0.808 422 K HN -0.013 nan 8.250 nan 0.000 0.505 423 E N 0.683 120.862 120.200 -0.036 0.000 2.371 423 E HA 0.056 4.397 4.350 -0.015 0.000 0.257 423 E C -2.247 174.255 176.600 -0.163 0.000 1.134 423 E CA -2.148 54.184 56.400 -0.113 0.000 0.919 423 E CB 0.074 29.630 29.700 -0.239 0.000 1.025 423 E HN -0.137 nan 8.360 nan 0.000 0.438 424 P HA 0.029 nan 4.420 nan 0.000 0.225 424 P C 0.321 177.479 177.300 -0.236 0.000 1.768 424 P CA 0.262 63.276 63.100 -0.142 0.000 0.943 424 P CB -0.204 31.483 31.700 -0.022 0.000 1.936 425 V N -3.844 115.921 119.914 -0.249 0.000 3.382 425 V HA 0.052 4.162 4.120 -0.015 0.000 0.296 425 V C 1.882 177.917 176.094 -0.098 0.000 1.529 425 V CA 0.552 62.720 62.300 -0.220 0.000 1.048 425 V CB -0.590 31.028 31.823 -0.341 0.000 0.878 425 V HN 0.228 nan 8.190 nan 0.000 0.442 426 T N -0.638 113.884 114.554 -0.053 0.000 2.778 426 T HA -0.163 4.178 4.350 -0.015 0.000 0.269 426 T C 1.846 176.526 174.700 -0.033 0.000 1.050 426 T CA 2.361 64.451 62.100 -0.015 0.000 1.137 426 T CB -0.377 68.484 68.868 -0.012 0.000 0.860 426 T HN 0.932 nan 8.240 nan 0.000 0.468 427 A N 1.493 124.288 122.820 -0.042 0.000 1.898 427 A HA 0.088 4.399 4.320 -0.015 0.000 0.214 427 A C 2.276 179.829 177.584 -0.051 0.000 1.183 427 A CA 1.402 53.415 52.037 -0.040 0.000 0.622 427 A CB -0.596 18.385 19.000 -0.031 0.000 0.824 427 A HN 0.511 nan 8.150 nan 0.000 0.444 428 E N 0.323 120.483 120.200 -0.066 0.000 2.110 428 E HA -0.100 4.241 4.350 -0.015 0.000 0.193 428 E C 1.858 178.409 176.600 -0.081 0.000 0.988 428 E CA 0.846 57.193 56.400 -0.090 0.000 0.804 428 E CB -0.360 29.273 29.700 -0.113 0.000 0.745 428 E HN 0.624 nan 8.360 nan 0.000 0.458 429 L N -0.438 120.750 121.223 -0.058 0.000 2.093 429 L HA -0.180 4.151 4.340 -0.015 0.000 0.208 429 L C 2.173 179.026 176.870 -0.028 0.000 1.085 429 L CA 0.686 55.507 54.840 -0.032 0.000 0.755 429 L CB -0.292 41.777 42.059 0.016 0.000 0.904 429 L HN 0.280 nan 8.230 nan 0.000 0.435 430 C N -0.224 119.056 119.300 -0.034 0.000 2.435 430 C HA -0.126 4.325 4.460 -0.015 0.000 0.279 430 C C 2.752 177.720 174.990 -0.037 0.000 1.321 430 C CA 0.952 59.949 59.018 -0.036 0.000 1.752 430 C CB -0.422 27.295 27.740 -0.039 0.000 1.959 430 C HN 0.547 nan 8.230 nan 0.000 0.500 431 E N 0.855 121.027 120.200 -0.047 0.000 2.072 431 E HA -0.157 4.184 4.350 -0.015 0.000 0.190 431 E C 2.104 178.673 176.600 -0.051 0.000 0.982 431 E CA 1.230 57.600 56.400 -0.051 0.000 0.803 431 E CB -0.551 29.110 29.700 -0.064 0.000 0.755 431 E HN 0.564 nan 8.360 nan 0.000 0.453 432 M N -0.527 119.038 119.600 -0.058 0.000 2.149 432 M HA -0.104 4.367 4.480 -0.015 0.000 0.261 432 M C 1.538 177.823 176.300 -0.025 0.000 1.064 432 M CA 1.571 56.839 55.300 -0.053 0.000 1.102 432 M CB 0.035 32.596 32.600 -0.066 0.000 1.369 432 M HN 0.211 nan 8.290 nan 0.000 0.408 433 M N -1.078 118.512 119.600 -0.018 0.000 2.495 433 M HA 0.201 4.672 4.480 -0.015 0.000 0.237 433 M C 0.983 177.278 176.300 -0.008 0.000 1.131 433 M CA 0.544 55.842 55.300 -0.004 0.000 1.032 433 M CB 0.322 32.924 32.600 0.004 0.000 1.513 433 M HN 0.526 nan 8.290 nan 0.000 0.488 434 G N 1.556 110.345 108.800 -0.018 0.000 2.198 434 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.260 434 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.260 434 G C 0.034 174.922 174.900 -0.019 0.000 1.025 434 G CA -0.204 44.884 45.100 -0.019 0.000 0.769 434 G HN 0.338 nan 8.290 nan 0.000 0.507 435 V N 0.937 120.838 119.914 -0.022 0.000 2.617 435 V HA 0.286 4.397 4.120 -0.015 0.000 0.304 435 V C 1.221 177.300 176.094 -0.024 0.000 1.040 435 V CA 1.270 63.556 62.300 -0.025 0.000 1.149 435 V CB 0.724 32.528 31.823 -0.032 0.000 0.914 435 V HN 0.818 nan 8.190 nan 0.000 0.487 436 K N 3.490 123.877 120.400 -0.022 0.000 2.264 436 K HA 0.681 4.992 4.320 -0.015 0.000 0.272 436 K C 0.012 176.599 176.600 -0.021 0.000 1.003 436 K CA -0.267 56.008 56.287 -0.021 0.000 1.266 436 K CB 0.459 32.950 32.500 -0.017 0.000 1.820 436 K HN 0.583 nan 8.250 nan 0.000 0.818 437 D N 0.000 120.389 120.400 -0.018 0.000 6.856 437 D HA 0.000 4.631 4.640 -0.015 0.000 0.175 437 D CA 0.000 53.990 54.000 -0.016 0.000 0.868 437 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 437 D HN 0.000 nan 8.370 nan 0.000 0.683