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 2pc4_1_D DATA FIRST_RESID 3 DATA SEQUENCE CTEYMNAPKK LPADVAEELA TTAQKLVQAG KGILAADEST QTIKKRFDNI DATA SEQUENCE KLENTIENRA SYRDLLFGTK GLGKFISGAI LFEETLFQKN EAGVPMVNLL DATA SEQUENCE HNENIIPGIK VDKGLVNIPC TDEEKSTQGL DGLAERCKEY YKAGARFAKW DATA SEQUENCE RTVLVIDTAK GKPTDLSIHE TAWGLARYAS ICQQNRLVPI VEPEILADGP DATA SEQUENCE HSIEVCAVVT QKVLSCVFKA LQENGVLLEG ALLKPNMVTA GYECTAKTTT DATA SEQUENCE QDVGFLTVRT LRRTVPPALP GVVFLSGGQS EEEASVNLNS INALGPHPWA DATA SEQUENCE LTFSYGRALQ ASVLNTWQGK KENVAKAREV LLQRAEANSL ATYGKYKGGA DATA SEQUENCE G 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 3 C HA 0.000 nan 4.460 nan 0.000 0.325 3 C C 0.000 175.003 174.990 0.022 0.000 1.270 3 C CA 0.000 59.030 59.018 0.019 0.000 1.963 3 C CB 0.000 27.748 27.740 0.013 0.000 2.134 4 T N 2.839 117.407 114.554 0.024 0.000 2.799 4 T HA 0.351 4.706 4.350 0.009 0.000 0.296 4 T C -0.199 174.524 174.700 0.040 0.000 0.947 4 T CA 0.629 62.744 62.100 0.024 0.000 1.141 4 T CB 0.235 69.115 68.868 0.020 0.000 0.891 4 T HN 0.473 nan 8.240 nan 0.000 0.533 5 E N 3.509 123.730 120.200 0.034 0.000 2.481 5 E HA 0.012 4.367 4.350 0.009 0.000 0.263 5 E C -0.695 175.954 176.600 0.082 0.000 0.992 5 E CA 0.304 56.736 56.400 0.053 0.000 0.938 5 E CB 0.061 29.775 29.700 0.024 0.000 0.933 5 E HN 0.609 nan 8.360 nan 0.000 0.453 6 Y N 3.717 124.018 120.300 0.001 0.000 2.650 6 Y HA 0.001 4.556 4.550 0.008 0.000 0.342 6 Y C 0.857 176.759 175.900 0.004 0.000 1.110 6 Y CA 0.071 58.173 58.100 0.003 0.000 1.438 6 Y CB 0.285 38.747 38.460 0.004 0.000 1.181 6 Y HN 0.652 nan 8.280 nan 0.000 0.526 7 M N 3.826 123.162 119.600 -0.440 0.000 2.334 7 M HA 0.004 4.489 4.480 0.009 0.000 0.266 7 M C 0.739 176.811 176.300 -0.381 0.000 1.082 7 M CA 0.787 55.905 55.300 -0.304 0.000 1.141 7 M CB -0.207 32.279 32.600 -0.191 0.000 1.380 7 M HN 0.616 nan 8.290 nan 0.000 0.440 8 N N 1.529 119.823 118.700 -0.676 0.000 3.103 8 N HA 0.415 5.161 4.740 0.009 0.000 0.305 8 N C -1.587 173.796 175.510 -0.211 0.000 1.232 8 N CA 0.130 52.944 53.050 -0.394 0.000 1.190 8 N CB -0.337 37.963 38.487 -0.312 0.000 1.461 8 N HN 0.260 nan 8.380 nan 0.000 0.538 9 A N 1.473 124.230 122.820 -0.104 0.000 2.594 9 A HA 0.493 4.819 4.320 0.009 0.000 0.296 9 A C -2.771 174.818 177.584 0.009 0.000 1.061 9 A CA -1.094 50.961 52.037 0.031 0.000 0.689 9 A CB 0.863 19.952 19.000 0.149 0.000 1.280 9 A HN 0.293 nan 8.150 nan 0.000 0.406 10 P HA 0.291 nan 4.420 nan 0.000 0.271 10 P C -0.422 176.877 177.300 -0.001 0.000 1.216 10 P CA 0.108 63.208 63.100 -0.001 0.000 0.771 10 P CB 0.558 32.254 31.700 -0.008 0.000 0.864 11 K N 1.912 122.304 120.400 -0.013 0.000 2.276 11 K HA 0.137 4.462 4.320 0.009 0.000 0.259 11 K C 0.778 177.368 176.600 -0.017 0.000 1.001 11 K CA -0.194 56.085 56.287 -0.012 0.000 0.927 11 K CB 0.459 32.947 32.500 -0.020 0.000 0.969 11 K HN 0.326 nan 8.250 nan 0.000 0.490 12 K N 1.222 121.615 120.400 -0.013 0.000 2.219 12 K HA 0.123 4.448 4.320 0.009 0.000 0.258 12 K C -0.154 176.429 176.600 -0.028 0.000 1.008 12 K CA -0.591 55.686 56.287 -0.017 0.000 0.928 12 K CB 0.416 32.910 32.500 -0.010 0.000 0.983 12 K HN 0.219 nan 8.250 nan 0.000 0.484 13 L N 2.996 124.200 121.223 -0.033 0.000 2.439 13 L HA 0.187 4.533 4.340 0.009 0.000 0.269 13 L C -1.880 174.970 176.870 -0.033 0.000 1.179 13 L CA -1.638 53.178 54.840 -0.040 0.000 0.828 13 L CB -0.277 41.755 42.059 -0.045 0.000 1.106 13 L HN 0.476 nan 8.230 nan 0.000 0.467 14 P HA 0.001 nan 4.420 nan 0.000 0.264 14 P C 0.490 177.773 177.300 -0.028 0.000 1.183 14 P CA 0.123 63.204 63.100 -0.032 0.000 0.763 14 P CB 0.535 32.212 31.700 -0.038 0.000 0.807 15 A N 3.905 126.713 122.820 -0.021 0.000 1.929 15 A HA -0.317 4.008 4.320 0.009 0.000 0.221 15 A C 1.611 179.184 177.584 -0.019 0.000 1.211 15 A CA 2.681 54.708 52.037 -0.017 0.000 0.657 15 A CB -1.512 17.479 19.000 -0.013 0.000 0.827 15 A HN 0.658 nan 8.150 nan 0.000 0.462 16 D N -0.959 119.428 120.400 -0.021 0.000 2.097 16 D HA -0.068 4.577 4.640 0.009 0.000 0.197 16 D C 1.803 178.088 176.300 -0.024 0.000 0.984 16 D CA 1.247 55.235 54.000 -0.020 0.000 0.826 16 D CB -0.449 40.338 40.800 -0.022 0.000 0.973 16 D HN 0.277 nan 8.370 nan 0.000 0.460 17 V N 0.643 120.535 119.914 -0.038 0.000 2.379 17 V HA -0.117 4.008 4.120 0.009 0.000 0.245 17 V C 2.114 178.187 176.094 -0.036 0.000 1.044 17 V CA 1.897 64.167 62.300 -0.049 0.000 1.036 17 V CB -0.493 31.287 31.823 -0.073 0.000 0.664 17 V HN 0.235 nan 8.190 nan 0.000 0.453 18 A N -0.650 122.150 122.820 -0.033 0.000 1.902 18 A HA -0.278 4.047 4.320 0.009 0.000 0.217 18 A C 2.154 179.728 177.584 -0.017 0.000 1.181 18 A CA 2.141 54.161 52.037 -0.027 0.000 0.623 18 A CB -0.674 18.312 19.000 -0.024 0.000 0.818 18 A HN 0.706 nan 8.150 nan 0.000 0.443 19 E N -0.747 119.445 120.200 -0.013 0.000 2.106 19 E HA -0.199 4.156 4.350 0.009 0.000 0.192 19 E C 2.053 178.652 176.600 -0.001 0.000 0.984 19 E CA 1.214 57.610 56.400 -0.007 0.000 0.806 19 E CB -0.073 29.624 29.700 -0.006 0.000 0.750 19 E HN 0.768 nan 8.360 nan 0.000 0.458 20 E N 0.074 120.276 120.200 0.004 0.000 2.072 20 E HA -0.169 4.187 4.350 0.009 0.000 0.191 20 E C 2.096 178.711 176.600 0.024 0.000 0.985 20 E CA 0.608 57.021 56.400 0.022 0.000 0.801 20 E CB 0.054 29.779 29.700 0.041 0.000 0.750 20 E HN 0.250 nan 8.360 nan 0.000 0.452 21 L N 0.432 121.662 121.223 0.011 0.000 2.046 21 L HA -0.172 4.173 4.340 0.009 0.000 0.208 21 L C 2.661 179.529 176.870 -0.005 0.000 1.077 21 L CA 1.124 55.968 54.840 0.007 0.000 0.747 21 L CB -0.478 41.573 42.059 -0.014 0.000 0.896 21 L HN 0.188 nan 8.230 nan 0.000 0.432 22 A N -0.753 122.062 122.820 -0.008 0.000 1.883 22 A HA -0.272 4.053 4.320 0.009 0.000 0.217 22 A C 2.464 180.039 177.584 -0.015 0.000 1.186 22 A CA 2.556 54.587 52.037 -0.011 0.000 0.624 22 A CB -1.000 17.995 19.000 -0.008 0.000 0.822 22 A HN 0.399 nan 8.150 nan 0.000 0.444 23 T N -1.585 112.963 114.554 -0.010 0.000 2.857 23 T HA -0.102 4.254 4.350 0.009 0.000 0.266 23 T C 1.947 176.633 174.700 -0.023 0.000 1.048 23 T CA 2.266 64.358 62.100 -0.014 0.000 1.139 23 T CB -0.537 68.327 68.868 -0.006 0.000 0.874 23 T HN 0.473 nan 8.240 nan 0.000 0.455 24 T N 1.644 116.189 114.554 -0.014 0.000 2.746 24 T HA 0.035 4.391 4.350 0.009 0.000 0.267 24 T C 2.247 176.900 174.700 -0.079 0.000 1.039 24 T CA 1.323 63.407 62.100 -0.027 0.000 1.142 24 T CB -0.718 68.163 68.868 0.021 0.000 0.866 24 T HN 0.503 nan 8.240 nan 0.000 0.444 25 A N 1.254 124.034 122.820 -0.067 0.000 1.902 25 A HA -0.134 4.191 4.320 0.009 0.000 0.217 25 A C 2.388 179.913 177.584 -0.099 0.000 1.181 25 A CA 1.173 53.153 52.037 -0.095 0.000 0.623 25 A CB -0.493 18.471 19.000 -0.059 0.000 0.818 25 A HN 0.313 nan 8.150 nan 0.000 0.443 26 Q N -0.069 119.691 119.800 -0.066 0.000 2.079 26 Q HA -0.139 4.206 4.340 0.009 0.000 0.200 26 Q C 2.020 177.972 176.000 -0.080 0.000 0.974 26 Q CA 1.663 57.431 55.803 -0.059 0.000 0.840 26 Q CB -0.339 28.378 28.738 -0.034 0.000 0.898 26 Q HN 0.720 nan 8.270 nan 0.000 0.430 27 K N 0.156 120.506 120.400 -0.083 0.000 2.063 27 K HA -0.147 4.178 4.320 0.009 0.000 0.208 27 K C 2.065 178.577 176.600 -0.146 0.000 1.048 27 K CA 0.876 57.107 56.287 -0.094 0.000 0.928 27 K CB -0.120 32.332 32.500 -0.079 0.000 0.713 27 K HN 0.030 nan 8.250 nan 0.000 0.442 28 L N 0.230 121.330 121.223 -0.205 0.000 2.187 28 L HA -0.128 4.217 4.340 0.009 0.000 0.213 28 L C 1.687 178.391 176.870 -0.277 0.000 1.100 28 L CA 1.402 56.056 54.840 -0.309 0.000 0.765 28 L CB -0.406 41.387 42.059 -0.445 0.000 0.904 28 L HN 0.095 nan 8.230 nan 0.000 0.437 29 V N -4.071 115.720 119.914 -0.205 0.000 2.982 29 V HA 0.279 4.404 4.120 0.009 0.000 0.368 29 V C 0.688 176.701 176.094 -0.133 0.000 1.350 29 V CA -0.746 61.444 62.300 -0.184 0.000 1.251 29 V CB -0.778 30.959 31.823 -0.143 0.000 1.284 29 V HN 0.224 nan 8.190 nan 0.000 0.533 30 Q N 1.865 121.590 119.800 -0.124 0.000 2.354 30 Q HA 0.380 4.725 4.340 0.009 0.000 0.310 30 Q C 0.922 176.874 176.000 -0.080 0.000 1.104 30 Q CA 0.629 56.384 55.803 -0.080 0.000 0.968 30 Q CB 0.662 29.360 28.738 -0.066 0.000 1.251 30 Q HN 0.847 nan 8.270 nan 0.000 0.411 31 A N 1.942 124.738 122.820 -0.041 0.000 2.566 31 A HA 0.325 4.650 4.320 0.009 0.000 0.245 31 A C 1.229 178.775 177.584 -0.064 0.000 1.056 31 A CA 0.652 52.654 52.037 -0.057 0.000 0.757 31 A CB -0.717 18.325 19.000 0.070 0.000 0.979 31 A HN 1.090 nan 8.150 nan 0.000 0.508 32 G N 1.768 110.366 108.800 -0.336 0.000 2.155 32 G HA2 -0.245 3.720 3.960 0.009 0.000 0.257 32 G HA3 -0.245 3.720 3.960 0.009 0.000 0.257 32 G C 0.127 175.064 174.900 0.063 0.000 0.983 32 G CA 1.063 46.050 45.100 -0.188 0.000 0.676 32 G HN 0.918 nan 8.290 nan 0.000 0.528 33 K N -0.802 119.567 120.400 -0.050 0.000 2.385 33 K HA 0.728 5.054 4.320 0.009 0.000 0.248 33 K C 0.449 176.820 176.600 -0.380 0.000 0.955 33 K CA -0.217 56.025 56.287 -0.075 0.000 0.816 33 K CB 2.149 34.602 32.500 -0.078 0.000 1.250 33 K HN 0.444 nan 8.250 nan 0.000 0.434 34 G N 0.833 109.223 108.800 -0.683 0.000 2.870 34 G HA2 0.612 4.577 3.960 0.009 0.000 0.299 34 G HA3 0.612 4.577 3.960 0.009 0.000 0.299 34 G C -1.396 173.033 174.900 -0.785 0.000 1.324 34 G CA -0.729 43.526 45.100 -1.407 0.000 0.808 34 G HN 0.427 nan 8.290 nan 0.000 0.535 35 I N 0.265 120.436 120.570 -0.666 0.000 2.493 35 I HA 0.365 4.540 4.170 0.009 0.000 0.298 35 I C -0.870 175.290 176.117 0.072 0.000 0.998 35 I CA -0.768 60.413 61.300 -0.199 0.000 1.137 35 I CB 2.079 39.980 38.000 -0.166 0.000 1.310 35 I HN 0.267 nan 8.210 nan 0.000 0.445 36 L N 6.728 128.034 121.223 0.138 0.000 2.257 36 L HA 0.538 4.883 4.340 0.009 0.000 0.290 36 L C 0.181 177.164 176.870 0.189 0.000 1.044 36 L CA -0.115 54.851 54.840 0.209 0.000 0.810 36 L CB 0.921 43.101 42.059 0.201 0.000 1.193 36 L HN 0.656 nan 8.230 nan 0.000 0.425 37 A N 4.985 127.928 122.820 0.204 0.000 2.539 37 A HA 0.618 4.943 4.320 0.009 0.000 0.306 37 A C 0.705 178.388 177.584 0.165 0.000 1.392 37 A CA 0.225 52.367 52.037 0.173 0.000 1.060 37 A CB -0.231 18.873 19.000 0.173 0.000 1.134 37 A HN 1.046 nan 8.150 nan 0.000 0.542 38 A N 2.815 125.740 122.820 0.175 0.000 2.630 38 A HA 0.338 4.663 4.320 0.009 0.000 0.290 38 A C 0.507 178.186 177.584 0.159 0.000 1.267 38 A CA 0.175 52.329 52.037 0.194 0.000 0.950 38 A CB -0.057 19.165 19.000 0.370 0.000 1.144 38 A HN 0.717 nan 8.150 nan 0.000 0.527 39 D N -0.261 120.208 120.400 0.115 0.000 2.460 39 D HA 0.110 4.755 4.640 0.009 0.000 0.229 39 D C -0.499 175.814 176.300 0.020 0.000 1.170 39 D CA -0.165 53.906 54.000 0.119 0.000 0.827 39 D CB -0.095 40.765 40.800 0.100 0.000 0.973 39 D HN 0.274 nan 8.370 nan 0.000 0.496 40 E N 1.032 121.196 120.200 -0.059 0.000 2.376 40 E HA 0.147 4.502 4.350 0.009 0.000 0.266 40 E C 0.518 176.774 176.600 -0.573 0.000 1.009 40 E CA -0.130 56.141 56.400 -0.214 0.000 0.902 40 E CB 0.760 30.371 29.700 -0.148 0.000 0.972 40 E HN 0.281 nan 8.360 nan 0.000 0.439 41 S N 1.714 116.961 115.700 -0.755 0.000 2.614 41 S HA 0.095 4.571 4.470 0.009 0.000 0.265 41 S C 1.065 175.277 174.600 -0.647 0.000 1.303 41 S CA -0.418 57.051 58.200 -1.219 0.000 1.000 41 S CB 1.231 63.988 63.200 -0.738 0.000 0.935 41 S HN 0.493 nan 8.310 nan 0.000 0.551 42 T N 1.437 115.686 114.554 -0.509 0.000 2.653 42 T HA -0.268 4.087 4.350 0.009 0.000 0.268 42 T C 1.893 176.461 174.700 -0.219 0.000 1.035 42 T CA 2.185 64.128 62.100 -0.262 0.000 1.154 42 T CB -0.773 68.031 68.868 -0.106 0.000 0.862 42 T HN 0.844 nan 8.240 nan 0.000 0.441 43 Q N 1.153 120.843 119.800 -0.183 0.000 2.096 43 Q HA -0.202 4.143 4.340 0.009 0.000 0.208 43 Q C 2.317 178.229 176.000 -0.146 0.000 0.993 43 Q CA 2.931 58.655 55.803 -0.133 0.000 0.862 43 Q CB -0.752 27.922 28.738 -0.106 0.000 0.915 43 Q HN 0.664 nan 8.270 nan 0.000 0.416 44 T N -2.307 112.133 114.554 -0.189 0.000 3.010 44 T HA 0.025 4.380 4.350 0.009 0.000 0.252 44 T C 1.711 176.299 174.700 -0.186 0.000 1.047 44 T CA 0.603 62.608 62.100 -0.160 0.000 1.140 44 T CB -0.259 68.522 68.868 -0.145 0.000 0.885 44 T HN 0.262 nan 8.240 nan 0.000 0.464 45 I N 1.259 121.664 120.570 -0.276 0.000 2.676 45 I HA 0.211 4.387 4.170 0.009 0.000 0.259 45 I C 2.354 178.188 176.117 -0.473 0.000 1.194 45 I CA 0.961 62.023 61.300 -0.396 0.000 1.473 45 I CB -0.371 37.315 38.000 -0.523 0.000 1.096 45 I HN 0.201 nan 8.210 nan 0.000 0.443 46 K N 0.178 120.390 120.400 -0.313 0.000 2.209 46 K HA -0.205 4.120 4.320 0.009 0.000 0.204 46 K C 2.208 178.765 176.600 -0.072 0.000 1.048 46 K CA 1.011 57.195 56.287 -0.172 0.000 0.940 46 K CB 0.002 32.438 32.500 -0.108 0.000 0.729 46 K HN 0.041 nan 8.250 nan 0.000 0.451 47 K N 0.657 121.006 120.400 -0.085 0.000 2.025 47 K HA -0.081 4.244 4.320 0.009 0.000 0.207 47 K C 1.955 178.554 176.600 -0.003 0.000 1.049 47 K CA 1.166 57.430 56.287 -0.039 0.000 0.933 47 K CB 0.091 32.562 32.500 -0.050 0.000 0.714 47 K HN 0.100 nan 8.250 nan 0.000 0.438 48 R N -0.067 120.428 120.500 -0.008 0.000 2.090 48 R HA -0.042 4.303 4.340 0.009 0.000 0.228 48 R C 2.313 178.731 176.300 0.197 0.000 1.110 48 R CA 0.784 56.921 56.100 0.061 0.000 0.973 48 R CB -0.918 29.407 30.300 0.041 0.000 0.869 48 R HN 0.170 nan 8.270 nan 0.000 0.440 49 F N 1.865 121.770 119.950 -0.075 0.000 2.234 49 F HA -0.086 4.446 4.527 0.008 0.000 0.299 49 F C 1.568 177.326 175.800 -0.070 0.000 1.087 49 F CA 0.726 58.682 58.000 -0.074 0.000 1.340 49 F CB -0.595 38.371 39.000 -0.055 0.000 1.031 49 F HN -0.012 nan 8.300 nan 0.000 0.500 50 D N -0.677 119.805 120.400 0.136 0.000 2.269 50 D HA -0.094 4.551 4.640 0.009 0.000 0.208 50 D C 1.717 178.027 176.300 0.015 0.000 0.963 50 D CA 0.791 54.821 54.000 0.049 0.000 0.864 50 D CB -0.493 40.324 40.800 0.028 0.000 0.936 50 D HN 0.334 nan 8.370 nan 0.000 0.505 51 N N -0.164 118.549 118.700 0.021 0.000 2.376 51 N HA 0.001 4.746 4.740 0.009 0.000 0.177 51 N C 1.181 176.680 175.510 -0.017 0.000 1.024 51 N CA 0.355 53.405 53.050 0.000 0.000 0.893 51 N CB 0.202 38.692 38.487 0.005 0.000 0.980 51 N HN 0.242 nan 8.380 nan 0.000 0.439 52 I N -1.458 119.096 120.570 -0.025 0.000 3.884 52 I HA 0.274 4.449 4.170 0.009 0.000 0.330 52 I C -0.663 175.376 176.117 -0.131 0.000 1.451 52 I CA -0.451 60.799 61.300 -0.083 0.000 1.165 52 I CB -0.204 37.734 38.000 -0.103 0.000 1.097 52 I HN -0.137 nan 8.210 nan 0.000 0.404 53 K N 0.571 120.921 120.400 -0.083 0.000 3.278 53 K HA -0.184 4.141 4.320 0.009 0.000 0.270 53 K C -0.555 175.965 176.600 -0.133 0.000 0.955 53 K CA 0.431 56.665 56.287 -0.088 0.000 0.723 53 K CB -1.508 30.940 32.500 -0.087 0.000 1.382 53 K HN 0.492 nan 8.250 nan 0.000 0.461 54 L N 0.431 121.574 121.223 -0.133 0.000 2.370 54 L HA 0.369 4.714 4.340 0.009 0.000 0.266 54 L C -0.270 176.575 176.870 -0.041 0.000 1.002 54 L CA -0.581 54.142 54.840 -0.195 0.000 0.818 54 L CB 1.895 43.674 42.059 -0.466 0.000 1.325 54 L HN 0.037 nan 8.230 nan 0.000 0.418 55 E N 1.653 121.837 120.200 -0.026 0.000 2.313 55 E HA 0.191 4.546 4.350 0.009 0.000 0.276 55 E C -0.524 176.187 176.600 0.186 0.000 1.031 55 E CA 0.139 56.575 56.400 0.060 0.000 0.857 55 E CB 0.531 30.247 29.700 0.027 0.000 1.040 55 E HN 0.367 nan 8.360 nan 0.000 0.408 56 N N 2.320 121.152 118.700 0.220 0.000 2.895 56 N HA 0.018 4.763 4.740 0.009 0.000 0.277 56 N C -1.166 174.447 175.510 0.172 0.000 1.185 56 N CA -0.084 53.129 53.050 0.272 0.000 1.106 56 N CB -0.175 38.364 38.487 0.087 0.000 1.422 56 N HN 0.465 nan 8.380 nan 0.000 0.521 57 T N -0.795 113.884 114.554 0.207 0.000 2.944 57 T HA 0.276 4.632 4.350 0.009 0.000 0.284 57 T C 1.530 176.327 174.700 0.163 0.000 1.010 57 T CA -0.858 61.327 62.100 0.141 0.000 1.025 57 T CB 0.954 69.885 68.868 0.105 0.000 1.079 57 T HN 0.120 nan 8.240 nan 0.000 0.516 58 I N 0.552 121.195 120.570 0.121 0.000 2.394 58 I HA -0.066 4.109 4.170 0.009 0.000 0.251 58 I C 1.865 178.063 176.117 0.135 0.000 1.136 58 I CA 1.564 62.937 61.300 0.122 0.000 1.425 58 I CB -0.699 37.358 38.000 0.096 0.000 1.079 58 I HN 0.776 nan 8.210 nan 0.000 0.425 59 E N 0.617 120.892 120.200 0.124 0.000 2.107 59 E HA -0.142 4.213 4.350 0.009 0.000 0.191 59 E C 1.878 178.575 176.600 0.161 0.000 0.982 59 E CA 0.878 57.350 56.400 0.119 0.000 0.809 59 E CB -0.158 29.595 29.700 0.088 0.000 0.756 59 E HN 0.427 nan 8.360 nan 0.000 0.459 60 N N 0.588 119.407 118.700 0.199 0.000 2.142 60 N HA -0.094 4.651 4.740 0.009 0.000 0.186 60 N C 1.646 177.425 175.510 0.448 0.000 1.023 60 N CA 0.901 54.113 53.050 0.270 0.000 0.852 60 N CB -0.131 38.495 38.487 0.233 0.000 0.998 60 N HN 0.101 nan 8.380 nan 0.000 0.424 61 R N 0.669 121.441 120.500 0.454 0.000 2.081 61 R HA 0.017 4.363 4.340 0.009 0.000 0.235 61 R C 2.163 178.610 176.300 0.246 0.000 1.131 61 R CA 1.312 57.645 56.100 0.388 0.000 0.960 61 R CB -0.296 30.122 30.300 0.198 0.000 0.856 61 R HN 0.190 nan 8.270 nan 0.000 0.436 62 A N 0.349 123.274 122.820 0.175 0.000 1.930 62 A HA -0.125 4.200 4.320 0.009 0.000 0.217 62 A C 2.186 179.805 177.584 0.060 0.000 1.175 62 A CA 1.649 53.744 52.037 0.097 0.000 0.627 62 A CB -0.328 18.728 19.000 0.094 0.000 0.815 62 A HN 0.224 nan 8.150 nan 0.000 0.443 63 S N -1.775 113.997 115.700 0.120 0.000 2.402 63 S HA -0.112 4.364 4.470 0.009 0.000 0.229 63 S C 1.825 176.424 174.600 -0.001 0.000 1.021 63 S CA 1.286 59.545 58.200 0.098 0.000 0.974 63 S CB -0.465 62.857 63.200 0.205 0.000 0.800 63 S HN 0.698 nan 8.310 nan 0.000 0.484 64 Y N 2.358 122.585 120.300 -0.122 0.000 2.220 64 Y HA 0.018 4.573 4.550 0.008 0.000 0.291 64 Y C 2.162 177.811 175.900 -0.418 0.000 1.129 64 Y CA 1.278 59.138 58.100 -0.400 0.000 1.161 64 Y CB -0.215 38.158 38.460 -0.145 0.000 0.997 64 Y HN -0.031 nan 8.280 nan 0.000 0.522 65 R N 0.758 120.968 120.500 -0.484 0.000 2.115 65 R HA -0.109 4.236 4.340 0.009 0.000 0.226 65 R C 2.144 177.931 176.300 -0.855 0.000 1.100 65 R CA 1.313 56.856 56.100 -0.929 0.000 0.980 65 R CB -0.909 29.014 30.300 -0.629 0.000 0.875 65 R HN 0.463 nan 8.270 nan 0.000 0.445 66 D N 0.305 120.471 120.400 -0.390 0.000 2.097 66 D HA -0.178 4.467 4.640 0.009 0.000 0.195 66 D C 1.806 177.952 176.300 -0.257 0.000 0.989 66 D CA 0.976 54.846 54.000 -0.218 0.000 0.827 66 D CB 0.071 40.818 40.800 -0.089 0.000 0.966 66 D HN 0.199 nan 8.370 nan 0.000 0.456 67 L N 0.427 121.441 121.223 -0.348 0.000 1.990 67 L HA -0.216 4.129 4.340 0.009 0.000 0.213 67 L C 2.658 179.318 176.870 -0.351 0.000 1.072 67 L CA 1.217 55.843 54.840 -0.357 0.000 0.755 67 L CB -0.280 41.455 42.059 -0.541 0.000 0.889 67 L HN 0.081 nan 8.230 nan 0.000 0.432 68 L N -1.301 119.590 121.223 -0.553 0.000 1.988 68 L HA -0.204 4.142 4.340 0.009 0.000 0.207 68 L C 2.458 179.280 176.870 -0.080 0.000 1.071 68 L CA 1.169 55.767 54.840 -0.405 0.000 0.744 68 L CB -0.676 40.993 42.059 -0.650 0.000 0.893 68 L HN 0.209 nan 8.230 nan 0.000 0.433 69 F N -0.019 119.839 119.950 -0.154 0.000 2.456 69 F HA 0.056 4.588 4.527 0.008 0.000 0.298 69 F C 2.293 178.049 175.800 -0.074 0.000 1.104 69 F CA 0.495 58.435 58.000 -0.100 0.000 1.435 69 F CB -1.530 37.407 39.000 -0.106 0.000 1.078 69 F HN -0.013 nan 8.300 nan 0.000 0.546 70 G N -0.601 108.240 108.800 0.069 0.000 3.088 70 G HA2 -0.007 3.958 3.960 0.009 0.000 0.212 70 G HA3 -0.007 3.958 3.960 0.009 0.000 0.212 70 G C 0.372 175.284 174.900 0.020 0.000 1.173 70 G CA -0.015 45.105 45.100 0.033 0.000 0.779 70 G HN 0.155 nan 8.290 nan 0.000 0.540 71 T N 1.214 115.784 114.554 0.026 0.000 2.799 71 T HA 0.199 4.554 4.350 0.009 0.000 0.296 71 T C 0.338 175.061 174.700 0.038 0.000 0.947 71 T CA 0.104 62.221 62.100 0.029 0.000 1.141 71 T CB 1.461 70.354 68.868 0.042 0.000 0.891 71 T HN 0.146 nan 8.240 nan 0.000 0.533 72 K N 1.858 122.277 120.400 0.031 0.000 2.298 72 K HA 0.393 4.718 4.320 0.009 0.000 0.280 72 K C 1.241 177.853 176.600 0.021 0.000 1.032 72 K CA 0.431 56.731 56.287 0.022 0.000 0.958 72 K CB 0.354 32.866 32.500 0.019 0.000 0.978 72 K HN 0.866 nan 8.250 nan 0.000 0.472 73 G N 3.033 111.828 108.800 -0.010 0.000 2.143 73 G HA2 -0.254 3.712 3.960 0.009 0.000 0.249 73 G HA3 -0.254 3.712 3.960 0.009 0.000 0.249 73 G C 0.400 175.246 174.900 -0.090 0.000 0.981 73 G CA 0.347 45.412 45.100 -0.058 0.000 0.665 73 G HN 0.601 nan 8.290 nan 0.000 0.528 74 L N 1.173 122.392 121.223 -0.007 0.000 2.109 74 L HA 0.347 4.692 4.340 0.009 0.000 0.207 74 L C 2.721 179.579 176.870 -0.020 0.000 1.086 74 L CA 2.916 57.789 54.840 0.056 0.000 0.760 74 L CB -0.768 41.350 42.059 0.099 0.000 0.910 74 L HN 0.323 nan 8.230 nan 0.000 0.437 75 G N -0.774 107.991 108.800 -0.058 0.000 2.501 75 G HA2 -0.277 3.688 3.960 0.009 0.000 0.220 75 G HA3 -0.277 3.688 3.960 0.009 0.000 0.220 75 G C 1.624 176.438 174.900 -0.144 0.000 1.114 75 G CA 0.812 45.868 45.100 -0.073 0.000 0.757 75 G HN 0.415 nan 8.290 nan 0.000 0.559 76 K N -0.650 119.559 120.400 -0.318 0.000 2.097 76 K HA -0.022 4.303 4.320 0.009 0.000 0.206 76 K C 1.610 177.961 176.600 -0.415 0.000 1.049 76 K CA 1.120 57.106 56.287 -0.502 0.000 0.933 76 K CB -0.148 31.777 32.500 -0.958 0.000 0.717 76 K HN 0.472 nan 8.250 nan 0.000 0.442 77 F N -0.357 119.647 119.950 0.090 0.000 2.724 77 F HA 0.314 4.846 4.527 0.007 0.000 0.306 77 F C 0.640 176.515 175.800 0.124 0.000 1.100 77 F CA -0.398 57.682 58.000 0.134 0.000 1.255 77 F CB 0.411 39.512 39.000 0.169 0.000 1.072 77 F HN -0.217 nan 8.300 nan 0.000 0.589 78 I N 0.350 121.029 120.570 0.181 0.000 2.436 78 I HA 0.168 4.343 4.170 0.009 0.000 0.289 78 I C 1.049 177.156 176.117 -0.016 0.000 1.010 78 I CA -0.301 61.055 61.300 0.094 0.000 1.098 78 I CB 1.952 40.036 38.000 0.141 0.000 1.266 78 I HN -0.014 nan 8.210 nan 0.000 0.434 79 S N 3.482 119.126 115.700 -0.093 0.000 2.441 79 S HA 0.324 4.799 4.470 0.009 0.000 0.224 79 S C 0.728 175.257 174.600 -0.117 0.000 1.043 79 S CA 0.185 58.311 58.200 -0.123 0.000 0.948 79 S CB 0.431 63.516 63.200 -0.191 0.000 0.810 79 S HN 0.705 nan 8.310 nan 0.000 0.504 80 G N -0.182 108.546 108.800 -0.119 0.000 2.690 80 G HA2 0.690 4.655 3.960 0.009 0.000 0.291 80 G HA3 0.690 4.655 3.960 0.009 0.000 0.291 80 G C -1.742 173.208 174.900 0.083 0.000 1.403 80 G CA -0.447 44.643 45.100 -0.016 0.000 0.864 80 G HN 0.676 nan 8.290 nan 0.000 0.480 81 A N 0.652 123.562 122.820 0.150 0.000 2.353 81 A HA 0.717 5.042 4.320 0.009 0.000 0.299 81 A C -0.425 177.162 177.584 0.006 0.000 1.089 81 A CA -0.559 51.484 52.037 0.010 0.000 0.736 81 A CB 0.702 19.495 19.000 -0.345 0.000 1.195 81 A HN 0.655 nan 8.150 nan 0.000 0.447 82 I N 3.626 124.240 120.570 0.073 0.000 2.379 82 I HA 0.210 4.385 4.170 0.009 0.000 0.290 82 I C -0.255 175.831 176.117 -0.052 0.000 1.063 82 I CA 0.187 61.455 61.300 -0.053 0.000 1.351 82 I CB 0.491 38.533 38.000 0.070 0.000 1.410 82 I HN 0.475 nan 8.210 nan 0.000 0.505 83 L N 5.728 126.858 121.223 -0.154 0.000 2.334 83 L HA 0.493 4.838 4.340 0.009 0.000 0.270 83 L C -0.267 176.599 176.870 -0.006 0.000 1.018 83 L CA -0.774 54.032 54.840 -0.056 0.000 0.811 83 L CB 1.587 43.553 42.059 -0.157 0.000 1.271 83 L HN 0.386 nan 8.230 nan 0.000 0.443 84 F N 0.912 120.817 119.950 -0.076 0.000 2.371 84 F HA 0.121 4.652 4.527 0.008 0.000 0.329 84 F C 1.475 177.221 175.800 -0.090 0.000 1.107 84 F CA -0.103 57.851 58.000 -0.076 0.000 1.137 84 F CB 0.908 39.892 39.000 -0.025 0.000 1.214 84 F HN 0.639 nan 8.300 nan 0.000 0.536 85 E N 2.223 121.949 120.200 -0.789 0.000 2.065 85 E HA -0.326 4.030 4.350 0.009 0.000 0.201 85 E C 1.870 178.398 176.600 -0.119 0.000 1.016 85 E CA 2.045 58.174 56.400 -0.452 0.000 0.818 85 E CB -0.201 29.242 29.700 -0.429 0.000 0.749 85 E HN 0.888 nan 8.360 nan 0.000 0.453 86 E N -0.708 119.417 120.200 -0.125 0.000 2.068 86 E HA -0.245 4.110 4.350 0.009 0.000 0.207 86 E C 1.966 178.650 176.600 0.140 0.000 1.032 86 E CA 2.406 58.878 56.400 0.121 0.000 0.839 86 E CB -0.118 29.717 29.700 0.226 0.000 0.758 86 E HN 0.303 nan 8.360 nan 0.000 0.457 87 T N 1.366 115.994 114.554 0.125 0.000 2.759 87 T HA -0.179 4.176 4.350 0.009 0.000 0.269 87 T C 1.762 176.462 174.700 0.000 0.000 1.042 87 T CA 1.128 63.293 62.100 0.108 0.000 1.140 87 T CB -0.274 68.697 68.868 0.172 0.000 0.864 87 T HN 0.129 nan 8.240 nan 0.000 0.455 88 L N 0.343 121.472 121.223 -0.157 0.000 2.131 88 L HA 0.089 4.434 4.340 0.009 0.000 0.210 88 L C 1.278 177.857 176.870 -0.485 0.000 1.092 88 L CA 1.663 56.258 54.840 -0.409 0.000 0.759 88 L CB -0.601 41.057 42.059 -0.667 0.000 0.903 88 L HN 0.213 nan 8.230 nan 0.000 0.435 89 F N -1.420 118.531 119.950 0.001 0.000 2.695 89 F HA 0.284 4.817 4.527 0.010 0.000 0.303 89 F C 1.339 177.155 175.800 0.027 0.000 1.091 89 F CA -0.404 57.607 58.000 0.018 0.000 1.300 89 F CB -0.463 38.552 39.000 0.024 0.000 1.071 89 F HN 0.096 nan 8.300 nan 0.000 0.578 90 Q N 1.736 121.627 119.800 0.152 0.000 2.368 90 Q HA 0.273 4.619 4.340 0.009 0.000 0.237 90 Q C -0.461 175.594 176.000 0.092 0.000 0.987 90 Q CA -0.064 55.813 55.803 0.124 0.000 0.896 90 Q CB 0.849 29.655 28.738 0.115 0.000 1.241 90 Q HN 0.153 nan 8.270 nan 0.000 0.485 91 K N 1.660 122.110 120.400 0.084 0.000 2.340 91 K HA 0.297 4.623 4.320 0.009 0.000 0.244 91 K C -0.677 175.960 176.600 0.061 0.000 0.973 91 K CA -1.045 55.282 56.287 0.067 0.000 0.828 91 K CB 1.212 33.750 32.500 0.062 0.000 1.226 91 K HN 0.765 nan 8.250 nan 0.000 0.437 92 N N 0.330 119.060 118.700 0.051 0.000 2.327 92 N HA -0.074 4.671 4.740 0.009 0.000 0.257 92 N C 0.783 176.322 175.510 0.048 0.000 1.281 92 N CA -0.162 52.916 53.050 0.045 0.000 0.942 92 N CB 0.322 38.829 38.487 0.034 0.000 1.199 92 N HN 0.627 nan 8.380 nan 0.000 0.532 93 E N -0.357 119.872 120.200 0.049 0.000 2.160 93 E HA -0.136 4.219 4.350 0.009 0.000 0.195 93 E C 1.596 178.220 176.600 0.040 0.000 0.991 93 E CA 1.744 58.173 56.400 0.048 0.000 0.810 93 E CB -0.740 28.990 29.700 0.051 0.000 0.742 93 E HN 0.669 nan 8.360 nan 0.000 0.466 94 A N -0.372 122.471 122.820 0.037 0.000 2.067 94 A HA 0.196 4.521 4.320 0.009 0.000 0.219 94 A C 1.838 179.442 177.584 0.033 0.000 1.158 94 A CA 1.256 53.312 52.037 0.033 0.000 0.661 94 A CB -0.755 18.263 19.000 0.030 0.000 0.801 94 A HN 0.681 nan 8.150 nan 0.000 0.452 95 G N -2.058 106.765 108.800 0.037 0.000 2.140 95 G HA2 -0.091 3.875 3.960 0.009 0.000 0.211 95 G HA3 -0.091 3.875 3.960 0.009 0.000 0.211 95 G C -0.122 174.802 174.900 0.039 0.000 1.013 95 G CA 0.043 45.166 45.100 0.039 0.000 0.705 95 G HN 0.872 nan 8.290 nan 0.000 0.508 96 V N 0.968 120.906 119.914 0.039 0.000 2.495 96 V HA 0.535 4.660 4.120 0.009 0.000 0.298 96 V C -1.867 174.251 176.094 0.040 0.000 1.031 96 V CA -1.927 60.396 62.300 0.038 0.000 0.871 96 V CB 2.180 34.024 31.823 0.034 0.000 0.988 96 V HN 0.096 nan 8.190 nan 0.000 0.432 97 P HA 0.023 nan 4.420 nan 0.000 0.261 97 P C 0.902 178.213 177.300 0.018 0.000 1.173 97 P CA 0.217 63.335 63.100 0.030 0.000 0.760 97 P CB 0.351 32.065 31.700 0.023 0.000 0.783 98 M N 3.390 123.009 119.600 0.031 0.000 2.149 98 M HA -0.124 4.361 4.480 0.009 0.000 0.261 98 M C 1.875 178.167 176.300 -0.013 0.000 1.064 98 M CA 1.724 57.070 55.300 0.077 0.000 1.102 98 M CB -1.684 31.005 32.600 0.149 0.000 1.369 98 M HN 0.249 nan 8.290 nan 0.000 0.408 99 V N -0.849 118.982 119.914 -0.139 0.000 2.407 99 V HA -0.214 3.911 4.120 0.009 0.000 0.248 99 V C 1.911 177.718 176.094 -0.478 0.000 1.055 99 V CA 2.045 64.126 62.300 -0.366 0.000 1.049 99 V CB -1.374 30.217 31.823 -0.387 0.000 0.662 99 V HN 0.282 nan 8.190 nan 0.000 0.455 100 N N 0.876 119.456 118.700 -0.200 0.000 2.289 100 N HA 0.007 4.752 4.740 0.009 0.000 0.184 100 N C 1.654 177.144 175.510 -0.032 0.000 1.016 100 N CA 1.519 54.538 53.050 -0.052 0.000 0.872 100 N CB -0.587 37.926 38.487 0.043 0.000 0.973 100 N HN 0.535 nan 8.380 nan 0.000 0.433 101 L N -0.121 121.080 121.223 -0.037 0.000 2.141 101 L HA -0.054 4.291 4.340 0.009 0.000 0.209 101 L C 1.826 178.681 176.870 -0.025 0.000 1.094 101 L CA 0.705 55.551 54.840 0.010 0.000 0.763 101 L CB -0.301 41.806 42.059 0.081 0.000 0.908 101 L HN 0.163 nan 8.230 nan 0.000 0.437 102 L N -1.595 119.543 121.223 -0.141 0.000 2.095 102 L HA -0.120 4.226 4.340 0.009 0.000 0.204 102 L C 2.704 179.530 176.870 -0.074 0.000 1.080 102 L CA 0.542 55.274 54.840 -0.181 0.000 0.759 102 L CB -0.798 41.045 42.059 -0.359 0.000 0.914 102 L HN 0.254 nan 8.230 nan 0.000 0.439 103 H N 0.536 119.565 119.070 -0.069 0.000 2.387 103 H HA -0.125 4.436 4.556 0.008 0.000 0.299 103 H C 2.067 177.372 175.328 -0.038 0.000 1.099 103 H CA 1.309 57.324 56.048 -0.055 0.000 1.315 103 H CB -0.355 29.377 29.762 -0.050 0.000 1.380 103 H HN 0.336 nan 8.280 nan 0.000 0.513 104 N N 0.701 119.457 118.700 0.094 0.000 2.216 104 N HA -0.097 4.648 4.740 0.009 0.000 0.183 104 N C 1.463 176.987 175.510 0.023 0.000 1.017 104 N CA 0.614 53.693 53.050 0.048 0.000 0.861 104 N CB -0.002 38.508 38.487 0.038 0.000 0.986 104 N HN 0.335 nan 8.380 nan 0.000 0.428 105 E N 0.763 120.971 120.200 0.013 0.000 2.476 105 E HA 0.066 4.421 4.350 0.009 0.000 0.191 105 E C -0.431 176.163 176.600 -0.010 0.000 1.064 105 E CA -0.131 56.267 56.400 -0.003 0.000 0.866 105 E CB -0.555 29.143 29.700 -0.003 0.000 0.952 105 E HN 0.387 nan 8.360 nan 0.000 0.492 106 N N 0.265 118.969 118.700 0.007 0.000 2.747 106 N HA -0.194 4.551 4.740 0.009 0.000 0.249 106 N C -0.532 174.975 175.510 -0.004 0.000 1.107 106 N CA 0.233 53.287 53.050 0.006 0.000 0.707 106 N CB -1.263 37.217 38.487 -0.012 0.000 1.054 106 N HN 0.197 nan 8.380 nan 0.000 0.555 107 I N 1.123 121.686 120.570 -0.012 0.000 2.385 107 I HA 0.335 4.510 4.170 0.009 0.000 0.294 107 I C 0.712 176.817 176.117 -0.020 0.000 0.988 107 I CA -0.824 60.455 61.300 -0.035 0.000 1.265 107 I CB 1.171 39.128 38.000 -0.072 0.000 1.388 107 I HN 0.013 nan 8.210 nan 0.000 0.480 108 I N 7.816 128.392 120.570 0.010 0.000 2.416 108 I HA 0.216 4.391 4.170 0.009 0.000 0.288 108 I C -2.079 174.120 176.117 0.138 0.000 1.051 108 I CA -1.690 59.661 61.300 0.085 0.000 1.375 108 I CB 0.742 38.808 38.000 0.109 0.000 1.407 108 I HN 0.267 nan 8.210 nan 0.000 0.516 109 P HA 0.290 nan 4.420 nan 0.000 0.284 109 P C -0.396 176.665 177.300 -0.398 0.000 1.253 109 P CA -0.137 62.845 63.100 -0.197 0.000 0.800 109 P CB 1.618 33.138 31.700 -0.300 0.000 0.961 110 G N 1.292 109.589 108.800 -0.838 0.000 2.730 110 G HA2 0.667 4.632 3.960 0.009 0.000 0.289 110 G HA3 0.667 4.632 3.960 0.009 0.000 0.289 110 G C -1.785 172.638 174.900 -0.795 0.000 1.341 110 G CA -0.625 43.537 45.100 -1.563 0.000 0.932 110 G HN 0.510 nan 8.290 nan 0.000 0.481 111 I N -0.329 119.854 120.570 -0.644 0.000 2.571 111 I HA 0.427 4.603 4.170 0.009 0.000 0.289 111 I C -0.190 175.766 176.117 -0.269 0.000 1.115 111 I CA -1.250 59.766 61.300 -0.473 0.000 1.045 111 I CB 2.009 39.581 38.000 -0.712 0.000 1.238 111 I HN 0.493 nan 8.210 nan 0.000 0.424 112 K N 6.318 126.617 120.400 -0.168 0.000 2.412 112 K HA 0.307 4.632 4.320 0.009 0.000 0.284 112 K C 0.350 176.928 176.600 -0.036 0.000 1.046 112 K CA 0.288 56.549 56.287 -0.044 0.000 0.999 112 K CB 0.692 33.215 32.500 0.039 0.000 0.941 112 K HN 0.615 nan 8.250 nan 0.000 0.474 113 V N 0.104 120.062 119.914 0.073 0.000 3.605 113 V HA 0.090 4.215 4.120 0.009 0.000 0.284 113 V C 0.086 176.272 176.094 0.152 0.000 1.386 113 V CA 0.108 62.525 62.300 0.194 0.000 1.053 113 V CB -0.650 31.396 31.823 0.372 0.000 0.857 113 V HN 0.866 nan 8.190 nan 0.000 0.436 114 D N 0.656 121.021 120.400 -0.058 0.000 2.357 114 D HA 0.195 4.840 4.640 0.009 0.000 0.242 114 D C 0.284 176.432 176.300 -0.253 0.000 1.153 114 D CA -0.308 53.424 54.000 -0.446 0.000 0.918 114 D CB 0.745 40.878 40.800 -1.113 0.000 1.181 114 D HN 0.215 nan 8.370 nan 0.000 0.435 115 K N 1.111 121.344 120.400 -0.277 0.000 2.681 115 K HA 0.397 4.723 4.320 0.009 0.000 0.211 115 K C 0.400 176.912 176.600 -0.148 0.000 1.075 115 K CA -0.211 56.000 56.287 -0.126 0.000 1.141 115 K CB 0.321 32.790 32.500 -0.051 0.000 0.896 115 K HN 0.742 nan 8.250 nan 0.000 0.470 116 G N 1.071 109.736 108.800 -0.226 0.000 2.698 116 G HA2 -0.239 3.726 3.960 0.009 0.000 0.225 116 G HA3 -0.239 3.726 3.960 0.009 0.000 0.225 116 G C -0.819 173.968 174.900 -0.190 0.000 1.345 116 G CA -1.006 43.987 45.100 -0.178 0.000 0.871 116 G HN 0.134 nan 8.290 nan 0.000 0.540 117 L N -0.195 120.954 121.223 -0.124 0.000 2.331 117 L HA 0.830 5.175 4.340 0.009 0.000 0.275 117 L C 0.802 177.640 176.870 -0.053 0.000 1.022 117 L CA -1.122 53.662 54.840 -0.093 0.000 0.812 117 L CB 1.665 43.681 42.059 -0.072 0.000 1.257 117 L HN 1.121 nan 8.230 nan 0.000 0.435 118 V N -1.769 118.125 119.914 -0.032 0.000 3.078 118 V HA 0.560 4.685 4.120 0.009 0.000 0.311 118 V C -0.687 175.407 176.094 -0.000 0.000 1.138 118 V CA -1.099 61.194 62.300 -0.012 0.000 1.007 118 V CB 1.888 33.709 31.823 -0.003 0.000 1.045 118 V HN 0.660 nan 8.190 nan 0.000 0.432 119 N N 1.543 120.245 118.700 0.005 0.000 2.513 119 N HA 0.431 5.176 4.740 0.009 0.000 0.268 119 N C -0.320 175.200 175.510 0.017 0.000 1.180 119 N CA -0.059 52.997 53.050 0.010 0.000 0.948 119 N CB 0.985 39.477 38.487 0.009 0.000 1.083 119 N HN 0.746 nan 8.380 nan 0.000 0.455 120 I N 3.395 123.978 120.570 0.022 0.000 2.396 120 I HA 0.137 4.312 4.170 0.009 0.000 0.289 120 I C -1.870 174.260 176.117 0.021 0.000 1.056 120 I CA -1.663 59.654 61.300 0.027 0.000 1.365 120 I CB 0.603 38.623 38.000 0.034 0.000 1.407 120 I HN 0.188 nan 8.210 nan 0.000 0.509 121 P HA 0.066 nan 4.420 nan 0.000 0.269 121 P C 0.207 177.516 177.300 0.015 0.000 1.209 121 P CA -0.162 62.948 63.100 0.016 0.000 0.776 121 P CB 0.424 32.133 31.700 0.015 0.000 0.876 122 C N -0.573 118.735 119.300 0.013 0.000 4.593 122 C HA -0.128 4.337 4.460 0.009 0.000 0.263 122 C C 0.977 175.975 174.990 0.013 0.000 1.378 122 C CA 1.200 60.225 59.018 0.012 0.000 1.666 122 C CB -3.235 24.511 27.740 0.011 0.000 1.603 122 C HN 0.860 nan 8.230 nan 0.000 0.704 123 T N -2.844 111.719 114.554 0.015 0.000 2.949 123 T HA 0.569 4.924 4.350 0.009 0.000 0.287 123 T C -0.564 174.145 174.700 0.014 0.000 1.034 123 T CA -0.060 62.050 62.100 0.016 0.000 1.018 123 T CB 1.889 70.769 68.868 0.020 0.000 1.135 123 T HN 0.152 nan 8.240 nan 0.000 0.532 124 D N 1.219 121.628 120.400 0.014 0.000 2.558 124 D HA 0.125 4.770 4.640 0.009 0.000 0.221 124 D C 0.251 176.559 176.300 0.014 0.000 1.143 124 D CA 0.117 54.125 54.000 0.013 0.000 1.010 124 D CB -0.822 39.985 40.800 0.013 0.000 1.068 124 D HN 0.614 nan 8.370 nan 0.000 0.511 125 E N 0.915 121.122 120.200 0.013 0.000 2.476 125 E HA -0.229 4.126 4.350 0.009 0.000 0.251 125 E C -0.574 176.035 176.600 0.014 0.000 1.130 125 E CA 0.652 57.060 56.400 0.013 0.000 0.736 125 E CB -0.904 28.803 29.700 0.012 0.000 1.298 125 E HN 0.708 nan 8.360 nan 0.000 0.400 126 E N 0.359 120.569 120.200 0.017 0.000 2.319 126 E HA 0.253 4.608 4.350 0.009 0.000 0.268 126 E C 0.235 176.846 176.600 0.020 0.000 1.050 126 E CA -0.466 55.945 56.400 0.019 0.000 0.878 126 E CB 0.895 30.608 29.700 0.023 0.000 1.066 126 E HN -0.081 nan 8.360 nan 0.000 0.406 127 K N 1.211 121.623 120.400 0.019 0.000 2.159 127 K HA 0.307 4.632 4.320 0.009 0.000 0.266 127 K C -0.478 176.137 176.600 0.025 0.000 0.975 127 K CA -0.464 55.831 56.287 0.013 0.000 0.865 127 K CB 1.884 34.384 32.500 -0.000 0.000 1.087 127 K HN 0.388 nan 8.250 nan 0.000 0.446 128 S N 1.217 116.931 115.700 0.023 0.000 2.472 128 S HA 0.398 4.873 4.470 0.009 0.000 0.303 128 S C -0.614 173.992 174.600 0.010 0.000 1.099 128 S CA -0.456 57.772 58.200 0.046 0.000 1.077 128 S CB 0.864 64.101 63.200 0.061 0.000 1.031 128 S HN 0.413 nan 8.310 nan 0.000 0.487 129 T N 5.374 119.943 114.554 0.025 0.000 2.743 129 T HA 0.330 4.685 4.350 0.009 0.000 0.293 129 T C -0.103 174.541 174.700 -0.094 0.000 0.945 129 T CA -0.451 61.558 62.100 -0.150 0.000 1.030 129 T CB 0.822 69.476 68.868 -0.356 0.000 0.912 129 T HN 0.645 nan 8.240 nan 0.000 0.483 130 Q N 1.140 120.825 119.800 -0.191 0.000 2.260 130 Q HA 0.550 4.895 4.340 0.009 0.000 0.238 130 Q C 0.959 176.834 176.000 -0.208 0.000 0.948 130 Q CA -0.355 55.402 55.803 -0.076 0.000 0.895 130 Q CB 1.581 30.291 28.738 -0.047 0.000 1.218 130 Q HN 1.004 nan 8.270 nan 0.000 0.470 131 G N 0.046 108.913 108.800 0.111 0.000 3.509 131 G HA2 -0.156 3.809 3.960 0.009 0.000 0.220 131 G HA3 -0.156 3.809 3.960 0.009 0.000 0.220 131 G C 0.649 175.797 174.900 0.413 0.000 0.951 131 G CA -0.378 44.857 45.100 0.224 0.000 0.844 131 G HN 0.491 nan 8.290 nan 0.000 0.568 132 L N 1.256 122.723 121.223 0.407 0.000 2.275 132 L HA 0.170 4.515 4.340 0.009 0.000 0.215 132 L C 0.280 177.234 176.870 0.140 0.000 1.119 132 L CA 0.529 55.509 54.840 0.234 0.000 0.790 132 L CB -0.192 41.958 42.059 0.151 0.000 0.919 132 L HN 0.047 nan 8.230 nan 0.000 0.443 133 D N 0.936 121.411 120.400 0.125 0.000 2.358 133 D HA 0.252 4.898 4.640 0.009 0.000 0.258 133 D C 1.170 177.508 176.300 0.064 0.000 1.223 133 D CA 1.018 55.064 54.000 0.077 0.000 0.886 133 D CB 1.023 41.861 40.800 0.063 0.000 1.120 133 D HN 0.257 nan 8.370 nan 0.000 0.482 134 G N 2.151 110.975 108.800 0.041 0.000 2.155 134 G HA2 -0.337 3.629 3.960 0.009 0.000 0.257 134 G HA3 -0.337 3.629 3.960 0.009 0.000 0.257 134 G C 0.990 175.904 174.900 0.023 0.000 0.983 134 G CA 0.481 45.593 45.100 0.020 0.000 0.676 134 G HN 0.505 nan 8.290 nan 0.000 0.528 135 L N 0.634 121.891 121.223 0.057 0.000 2.056 135 L HA 0.403 4.748 4.340 0.009 0.000 0.207 135 L C 2.926 179.817 176.870 0.034 0.000 1.078 135 L CA 3.009 57.901 54.840 0.086 0.000 0.749 135 L CB -0.975 41.172 42.059 0.146 0.000 0.901 135 L HN 0.689 nan 8.230 nan 0.000 0.433 136 A N -0.701 122.122 122.820 0.004 0.000 1.883 136 A HA -0.203 4.122 4.320 0.009 0.000 0.217 136 A C 2.148 179.708 177.584 -0.039 0.000 1.186 136 A CA 1.867 53.889 52.037 -0.024 0.000 0.624 136 A CB -0.586 18.394 19.000 -0.033 0.000 0.822 136 A HN 0.544 nan 8.150 nan 0.000 0.444 137 E N -0.375 119.798 120.200 -0.045 0.000 2.152 137 E HA -0.104 4.251 4.350 0.009 0.000 0.192 137 E C 2.221 178.746 176.600 -0.126 0.000 0.983 137 E CA 0.528 56.888 56.400 -0.068 0.000 0.818 137 E CB -0.354 29.311 29.700 -0.057 0.000 0.758 137 E HN 0.540 nan 8.360 nan 0.000 0.467 138 R N 0.155 120.560 120.500 -0.158 0.000 2.081 138 R HA -0.089 4.256 4.340 0.009 0.000 0.235 138 R C 2.481 178.504 176.300 -0.462 0.000 1.131 138 R CA 1.237 57.108 56.100 -0.383 0.000 0.960 138 R CB -0.548 29.603 30.300 -0.247 0.000 0.856 138 R HN 0.224 nan 8.270 nan 0.000 0.436 139 C N 0.675 119.905 119.300 -0.118 0.000 2.432 139 C HA -0.083 4.383 4.460 0.009 0.000 0.277 139 C C 2.498 177.517 174.990 0.048 0.000 1.249 139 C CA 0.729 59.774 59.018 0.045 0.000 1.725 139 C CB -0.611 27.162 27.740 0.055 0.000 2.028 139 C HN 0.472 nan 8.230 nan 0.000 0.477 140 K N 0.546 120.938 120.400 -0.014 0.000 2.063 140 K HA -0.215 4.110 4.320 0.009 0.000 0.208 140 K C 2.090 178.727 176.600 0.061 0.000 1.048 140 K CA 1.497 57.792 56.287 0.014 0.000 0.928 140 K CB -0.277 32.208 32.500 -0.025 0.000 0.713 140 K HN 0.587 nan 8.250 nan 0.000 0.442 141 E N -0.054 120.128 120.200 -0.031 0.000 2.072 141 E HA -0.186 4.169 4.350 0.009 0.000 0.191 141 E C 1.766 178.461 176.600 0.159 0.000 0.985 141 E CA 1.153 57.557 56.400 0.007 0.000 0.801 141 E CB 0.049 29.667 29.700 -0.138 0.000 0.750 141 E HN 0.295 nan 8.360 nan 0.000 0.452 142 Y N -0.872 119.515 120.300 0.145 0.000 2.242 142 Y HA -0.183 4.373 4.550 0.009 0.000 0.291 142 Y C 2.075 177.995 175.900 0.034 0.000 1.137 142 Y CA 0.853 58.987 58.100 0.056 0.000 1.181 142 Y CB -1.057 37.411 38.460 0.014 0.000 0.989 142 Y HN 0.240 nan 8.280 nan 0.000 0.527 143 Y N 0.994 121.374 120.300 0.134 0.000 2.181 143 Y HA -0.207 4.348 4.550 0.008 0.000 0.288 143 Y C 2.188 178.123 175.900 0.057 0.000 1.146 143 Y CA 1.717 59.857 58.100 0.067 0.000 1.164 143 Y CB -0.155 38.332 38.460 0.044 0.000 0.982 143 Y HN -0.033 nan 8.280 nan 0.000 0.515 144 K N -0.389 120.147 120.400 0.227 0.000 2.148 144 K HA -0.096 4.229 4.320 0.009 0.000 0.204 144 K C 2.125 178.772 176.600 0.079 0.000 1.050 144 K CA 0.932 57.306 56.287 0.145 0.000 0.942 144 K CB -0.253 32.343 32.500 0.160 0.000 0.724 144 K HN 0.359 nan 8.250 nan 0.000 0.446 145 A N 0.163 123.039 122.820 0.094 0.000 2.168 145 A HA 0.081 4.406 4.320 0.009 0.000 0.215 145 A C 1.513 179.028 177.584 -0.115 0.000 1.152 145 A CA 1.339 53.371 52.037 -0.010 0.000 0.716 145 A CB -0.203 18.652 19.000 -0.241 0.000 0.794 145 A HN 0.456 nan 8.150 nan 0.000 0.465 146 G N -2.659 106.063 108.800 -0.130 0.000 2.229 146 G HA2 0.195 4.161 3.960 0.009 0.000 0.189 146 G HA3 0.195 4.161 3.960 0.009 0.000 0.189 146 G C 0.382 175.166 174.900 -0.193 0.000 1.000 146 G CA 0.006 45.019 45.100 -0.144 0.000 0.663 146 G HN 1.450 nan 8.290 nan 0.000 0.493 147 A N 0.506 123.205 122.820 -0.201 0.000 2.488 147 A HA 0.688 5.013 4.320 0.009 0.000 0.249 147 A C 1.302 178.814 177.584 -0.119 0.000 1.083 147 A CA 0.395 52.310 52.037 -0.203 0.000 0.768 147 A CB 0.307 19.176 19.000 -0.220 0.000 1.017 147 A HN 0.249 nan 8.150 nan 0.000 0.496 148 R N 0.892 121.367 120.500 -0.041 0.000 2.446 148 R HA 0.208 4.553 4.340 0.009 0.000 0.254 148 R C -0.690 175.771 176.300 0.268 0.000 0.918 148 R CA 0.435 56.611 56.100 0.127 0.000 1.069 148 R CB -0.000 30.380 30.300 0.133 0.000 1.194 148 R HN 0.796 nan 8.270 nan 0.000 0.534 149 F N -1.722 118.235 119.950 0.011 0.000 2.685 149 F HA 0.847 5.381 4.527 0.013 0.000 0.315 149 F C -1.351 174.471 175.800 0.036 0.000 1.126 149 F CA -1.881 56.130 58.000 0.019 0.000 0.950 149 F CB 1.030 40.025 39.000 -0.008 0.000 1.360 149 F HN -0.150 nan 8.300 nan 0.000 0.469 150 A N 1.535 124.458 122.820 0.171 0.000 2.479 150 A HA 0.815 5.140 4.320 0.009 0.000 0.296 150 A C -1.595 176.165 177.584 0.293 0.000 1.121 150 A CA -0.990 51.133 52.037 0.143 0.000 0.743 150 A CB 2.072 21.236 19.000 0.273 0.000 1.323 150 A HN 0.929 nan 8.150 nan 0.000 0.415 151 K N 0.632 121.163 120.400 0.218 0.000 2.422 151 K HA 0.483 4.808 4.320 0.009 0.000 0.251 151 K C -2.104 174.527 176.600 0.052 0.000 0.933 151 K CA -0.485 55.907 56.287 0.176 0.000 0.798 151 K CB 1.812 34.374 32.500 0.103 0.000 1.238 151 K HN 0.764 nan 8.250 nan 0.000 0.428 152 W N 5.971 127.032 121.300 -0.397 0.000 2.934 152 W HA 0.327 4.991 4.660 0.005 0.000 0.333 152 W C -1.775 174.535 176.519 -0.348 0.000 1.035 152 W CA -0.589 56.395 57.345 -0.603 0.000 1.256 152 W CB 1.169 29.689 29.460 -1.567 0.000 1.306 152 W HN 0.674 nan 8.180 nan 0.000 0.430 153 R N 4.099 124.444 120.500 -0.258 0.000 2.229 153 R HA 0.463 4.808 4.340 0.009 0.000 0.328 153 R C -0.026 176.165 176.300 -0.182 0.000 1.009 153 R CA 0.212 56.228 56.100 -0.140 0.000 0.864 153 R CB 1.209 31.441 30.300 -0.114 0.000 1.085 153 R HN 0.440 nan 8.270 nan 0.000 0.453 154 T N 0.054 114.598 114.554 -0.015 0.000 2.940 154 T HA 0.562 4.917 4.350 0.009 0.000 0.288 154 T C -0.661 174.044 174.700 0.009 0.000 1.033 154 T CA -0.735 61.371 62.100 0.009 0.000 1.033 154 T CB 1.838 70.777 68.868 0.118 0.000 1.079 154 T HN 0.235 nan 8.240 nan 0.000 0.496 155 V N 2.872 122.790 119.914 0.007 0.000 2.525 155 V HA 0.534 4.659 4.120 0.009 0.000 0.299 155 V C -0.795 175.310 176.094 0.018 0.000 1.034 155 V CA -0.751 61.555 62.300 0.010 0.000 0.863 155 V CB 1.239 33.061 31.823 -0.001 0.000 0.999 155 V HN 0.848 nan 8.190 nan 0.000 0.423 156 L N 5.317 126.551 121.223 0.018 0.000 2.322 156 L HA 0.831 5.176 4.340 0.009 0.000 0.269 156 L C -0.437 176.436 176.870 0.005 0.000 1.012 156 L CA -0.746 54.102 54.840 0.014 0.000 0.815 156 L CB 2.083 44.151 42.059 0.014 0.000 1.295 156 L HN 0.344 nan 8.230 nan 0.000 0.438 157 V N 1.774 121.688 119.914 -0.001 0.000 2.735 157 V HA 0.486 4.611 4.120 0.009 0.000 0.310 157 V C -0.353 175.720 176.094 -0.035 0.000 1.061 157 V CA -0.516 61.780 62.300 -0.006 0.000 0.913 157 V CB 2.184 34.014 31.823 0.012 0.000 1.005 157 V HN 0.496 nan 8.190 nan 0.000 0.428 158 I N 3.461 123.988 120.570 -0.071 0.000 2.307 158 I HA 0.433 4.608 4.170 0.009 0.000 0.289 158 I C -0.730 175.351 176.117 -0.060 0.000 1.021 158 I CA 0.178 61.387 61.300 -0.150 0.000 1.224 158 I CB 1.129 38.852 38.000 -0.461 0.000 1.376 158 I HN 0.588 nan 8.210 nan 0.000 0.470 159 D N 4.672 125.053 120.400 -0.032 0.000 2.364 159 D HA 0.144 4.789 4.640 0.009 0.000 0.251 159 D C 0.877 177.179 176.300 0.003 0.000 1.282 159 D CA -0.251 53.755 54.000 0.010 0.000 0.927 159 D CB 1.177 41.989 40.800 0.020 0.000 1.267 159 D HN 0.399 nan 8.370 nan 0.000 0.531 160 T N 0.920 115.477 114.554 0.005 0.000 2.624 160 T HA -0.223 4.132 4.350 0.009 0.000 0.268 160 T C 1.907 176.614 174.700 0.012 0.000 1.041 160 T CA 2.180 64.283 62.100 0.005 0.000 1.159 160 T CB -0.040 68.839 68.868 0.019 0.000 0.863 160 T HN 0.528 nan 8.240 nan 0.000 0.434 161 A N 1.464 124.296 122.820 0.020 0.000 1.892 161 A HA -0.161 4.164 4.320 0.009 0.000 0.218 161 A C 2.001 179.593 177.584 0.014 0.000 1.188 161 A CA 1.675 53.723 52.037 0.018 0.000 0.631 161 A CB -0.414 18.599 19.000 0.021 0.000 0.822 161 A HN 0.519 nan 8.150 nan 0.000 0.447 162 K N -0.674 119.734 120.400 0.014 0.000 2.504 162 K HA 0.249 4.574 4.320 0.009 0.000 0.199 162 K C 0.771 177.376 176.600 0.008 0.000 1.028 162 K CA 0.331 56.625 56.287 0.012 0.000 1.164 162 K CB -0.355 32.153 32.500 0.014 0.000 0.877 162 K HN 0.593 nan 8.250 nan 0.000 0.508 163 G N 2.626 111.430 108.800 0.006 0.000 2.421 163 G HA2 -0.318 3.647 3.960 0.009 0.000 0.300 163 G HA3 -0.318 3.647 3.960 0.009 0.000 0.300 163 G C 0.418 175.318 174.900 0.000 0.000 0.974 163 G CA 0.542 45.643 45.100 0.002 0.000 1.062 163 G HN 0.208 nan 8.290 nan 0.000 0.514 164 K N 0.804 121.203 120.400 -0.003 0.000 2.990 164 K HA 0.141 4.466 4.320 0.009 0.000 0.348 164 K C -1.326 175.269 176.600 -0.008 0.000 1.055 164 K CA -0.312 55.973 56.287 -0.004 0.000 1.075 164 K CB -0.604 31.891 32.500 -0.008 0.000 0.940 164 K HN 0.195 nan 8.250 nan 0.000 0.452 165 P HA -0.131 nan 4.420 nan 0.000 0.231 165 P C -0.661 176.645 177.300 0.011 0.000 1.048 165 P CA 0.570 63.671 63.100 0.002 0.000 0.925 165 P CB -1.262 30.437 31.700 -0.002 0.000 0.852 166 T N -0.399 114.165 114.554 0.016 0.000 2.802 166 T HA 0.048 4.403 4.350 0.009 0.000 0.305 166 T C 1.119 175.837 174.700 0.029 0.000 1.053 166 T CA -0.350 61.762 62.100 0.019 0.000 1.058 166 T CB 0.705 69.584 68.868 0.018 0.000 0.988 166 T HN 0.094 nan 8.240 nan 0.000 0.539 167 D N 0.045 120.461 120.400 0.026 0.000 2.133 167 D HA -0.111 4.534 4.640 0.009 0.000 0.195 167 D C 1.969 178.304 176.300 0.060 0.000 0.997 167 D CA 0.930 54.950 54.000 0.034 0.000 0.840 167 D CB -0.305 40.501 40.800 0.011 0.000 0.947 167 D HN 0.507 nan 8.370 nan 0.000 0.452 168 L N 0.288 121.540 121.223 0.048 0.000 2.012 168 L HA -0.236 4.109 4.340 0.009 0.000 0.210 168 L C 2.381 179.298 176.870 0.079 0.000 1.073 168 L CA 1.548 56.424 54.840 0.061 0.000 0.748 168 L CB -0.358 41.725 42.059 0.040 0.000 0.891 168 L HN 0.062 nan 8.230 nan 0.000 0.431 169 S N -0.130 115.608 115.700 0.062 0.000 2.368 169 S HA -0.185 4.290 4.470 0.009 0.000 0.225 169 S C 1.893 176.541 174.600 0.081 0.000 1.030 169 S CA 1.312 59.550 58.200 0.062 0.000 0.999 169 S CB -0.288 62.938 63.200 0.044 0.000 0.844 169 S HN 0.408 nan 8.310 nan 0.000 0.459 170 I N 0.406 121.030 120.570 0.089 0.000 2.179 170 I HA -0.160 4.015 4.170 0.009 0.000 0.242 170 I C 2.639 178.855 176.117 0.166 0.000 1.088 170 I CA 1.635 62.999 61.300 0.108 0.000 1.357 170 I CB -0.470 37.587 38.000 0.096 0.000 1.051 170 I HN 0.468 nan 8.210 nan 0.000 0.409 171 H N 0.089 119.199 119.070 0.066 0.000 2.436 171 H HA -0.142 4.419 4.556 0.007 0.000 0.294 171 H C 2.152 177.563 175.328 0.138 0.000 1.048 171 H CA 1.226 57.330 56.048 0.092 0.000 1.353 171 H CB 0.469 30.256 29.762 0.042 0.000 1.414 171 H HN 0.244 nan 8.280 nan 0.000 0.536 172 E N 0.499 120.765 120.200 0.109 0.000 2.038 172 E HA -0.132 4.224 4.350 0.009 0.000 0.195 172 E C 2.121 178.787 176.600 0.110 0.000 1.000 172 E CA 2.241 58.699 56.400 0.096 0.000 0.803 172 E CB -0.568 29.189 29.700 0.095 0.000 0.750 172 E HN 0.218 nan 8.360 nan 0.000 0.448 173 T N 0.363 114.978 114.554 0.102 0.000 2.652 173 T HA -0.181 4.174 4.350 0.009 0.000 0.267 173 T C 1.802 176.546 174.700 0.074 0.000 1.039 173 T CA 2.115 64.278 62.100 0.106 0.000 1.153 173 T CB -0.713 68.206 68.868 0.085 0.000 0.863 173 T HN 0.404 nan 8.240 nan 0.000 0.428 174 A N 0.643 123.493 122.820 0.050 0.000 1.902 174 A HA -0.089 4.236 4.320 0.009 0.000 0.217 174 A C 2.203 179.765 177.584 -0.036 0.000 1.181 174 A CA 1.195 53.241 52.037 0.015 0.000 0.623 174 A CB -0.972 18.080 19.000 0.088 0.000 0.818 174 A HN 0.740 nan 8.150 nan 0.000 0.443 175 W N 0.576 121.705 121.300 -0.285 0.000 2.409 175 W HA -0.104 4.561 4.660 0.008 0.000 0.299 175 W C 2.154 178.570 176.519 -0.172 0.000 1.203 175 W CA 1.429 58.604 57.345 -0.283 0.000 1.298 175 W CB -0.392 28.837 29.460 -0.385 0.000 1.127 175 W HN 0.397 nan 8.180 nan 0.000 0.528 176 G N 1.083 109.887 108.800 0.005 0.000 2.418 176 G HA2 -0.279 3.686 3.960 0.009 0.000 0.217 176 G HA3 -0.279 3.686 3.960 0.009 0.000 0.217 176 G C 1.599 176.282 174.900 -0.361 0.000 1.158 176 G CA 0.977 46.039 45.100 -0.065 0.000 0.771 176 G HN 0.228 nan 8.290 nan 0.000 0.545 177 L N 0.590 121.662 121.223 -0.251 0.000 2.083 177 L HA -0.068 4.277 4.340 0.009 0.000 0.209 177 L C 3.349 180.029 176.870 -0.318 0.000 1.083 177 L CA 1.057 55.709 54.840 -0.313 0.000 0.752 177 L CB -0.240 41.744 42.059 -0.124 0.000 0.899 177 L HN 0.322 nan 8.230 nan 0.000 0.433 178 A N -0.626 121.956 122.820 -0.396 0.000 1.929 178 A HA -0.114 4.211 4.320 0.009 0.000 0.216 178 A C 2.364 179.627 177.584 -0.536 0.000 1.176 178 A CA 0.857 52.613 52.037 -0.470 0.000 0.628 178 A CB -0.258 18.401 19.000 -0.568 0.000 0.816 178 A HN 0.212 nan 8.150 nan 0.000 0.444 179 R N -1.213 118.924 120.500 -0.605 0.000 2.062 179 R HA -0.146 4.199 4.340 0.009 0.000 0.231 179 R C 2.127 178.173 176.300 -0.424 0.000 1.136 179 R CA 1.746 57.549 56.100 -0.495 0.000 0.948 179 R CB -1.268 28.780 30.300 -0.420 0.000 0.845 179 R HN 0.750 nan 8.270 nan 0.000 0.430 180 Y N 1.457 121.345 120.300 -0.686 0.000 2.069 180 Y HA -0.287 4.267 4.550 0.006 0.000 0.278 180 Y C 2.223 177.869 175.900 -0.423 0.000 1.175 180 Y CA 1.783 59.451 58.100 -0.720 0.000 1.134 180 Y CB -0.645 36.981 38.460 -1.391 0.000 0.965 180 Y HN 0.069 nan 8.280 nan 0.000 0.498 181 A N 0.187 122.495 122.820 -0.854 0.000 1.933 181 A HA -0.168 4.158 4.320 0.009 0.000 0.218 181 A C 2.459 179.722 177.584 -0.534 0.000 1.175 181 A CA 2.308 53.836 52.037 -0.848 0.000 0.628 181 A CB -1.336 17.379 19.000 -0.476 0.000 0.814 181 A HN 0.694 nan 8.150 nan 0.000 0.444 182 S N -0.090 115.361 115.700 -0.415 0.000 2.387 182 S HA -0.046 4.429 4.470 0.009 0.000 0.226 182 S C 1.841 176.290 174.600 -0.253 0.000 1.026 182 S CA 1.207 59.230 58.200 -0.294 0.000 0.972 182 S CB -0.686 62.353 63.200 -0.267 0.000 0.814 182 S HN 0.449 nan 8.310 nan 0.000 0.477 183 I N 1.491 121.900 120.570 -0.267 0.000 2.252 183 I HA -0.178 3.997 4.170 0.009 0.000 0.245 183 I C 2.658 178.668 176.117 -0.179 0.000 1.102 183 I CA 0.855 62.043 61.300 -0.187 0.000 1.385 183 I CB -0.677 37.237 38.000 -0.143 0.000 1.064 183 I HN 0.384 nan 8.210 nan 0.000 0.414 184 C N 0.379 119.522 119.300 -0.263 0.000 2.388 184 C HA -0.229 4.237 4.460 0.009 0.000 0.277 184 C C 2.871 177.768 174.990 -0.156 0.000 1.210 184 C CA 1.086 59.980 59.018 -0.207 0.000 1.743 184 C CB -1.197 26.332 27.740 -0.351 0.000 2.047 184 C HN 0.514 nan 8.230 nan 0.000 0.458 185 Q N -0.185 119.501 119.800 -0.191 0.000 2.135 185 Q HA -0.288 4.057 4.340 0.009 0.000 0.204 185 Q C 2.292 178.220 176.000 -0.120 0.000 0.981 185 Q CA 1.623 57.343 55.803 -0.138 0.000 0.856 185 Q CB -0.356 28.296 28.738 -0.145 0.000 0.902 185 Q HN 0.725 nan 8.270 nan 0.000 0.425 186 Q N 0.461 120.185 119.800 -0.127 0.000 2.124 186 Q HA -0.121 4.225 4.340 0.009 0.000 0.202 186 Q C 0.644 176.573 176.000 -0.118 0.000 0.977 186 Q CA 0.903 56.639 55.803 -0.112 0.000 0.850 186 Q CB 0.255 28.929 28.738 -0.106 0.000 0.901 186 Q HN 0.348 nan 8.270 nan 0.000 0.429 187 N N 0.439 119.069 118.700 -0.118 0.000 2.320 187 N HA 0.106 4.851 4.740 0.009 0.000 0.237 187 N C -0.730 174.680 175.510 -0.168 0.000 1.129 187 N CA 0.064 53.035 53.050 -0.133 0.000 0.854 187 N CB 0.548 38.985 38.487 -0.084 0.000 1.083 187 N HN 0.201 nan 8.380 nan 0.000 0.504 188 R N -0.145 120.260 120.500 -0.159 0.000 3.532 188 R HA -0.130 4.215 4.340 0.009 0.000 0.284 188 R C -0.825 175.500 176.300 0.042 0.000 1.140 188 R CA 0.559 56.567 56.100 -0.154 0.000 0.768 188 R CB -2.165 27.845 30.300 -0.483 0.000 1.252 188 R HN 0.235 nan 8.270 nan 0.000 0.454 189 L N 0.420 121.669 121.223 0.043 0.000 2.362 189 L HA 0.455 4.800 4.340 0.009 0.000 0.275 189 L C 0.537 177.438 176.870 0.052 0.000 0.998 189 L CA -1.180 53.725 54.840 0.109 0.000 0.820 189 L CB 2.256 44.384 42.059 0.114 0.000 1.270 189 L HN -0.201 nan 8.230 nan 0.000 0.415 190 V N 5.238 125.218 119.914 0.111 0.000 2.446 190 V HA 0.117 4.242 4.120 0.009 0.000 0.276 190 V C -1.817 174.329 176.094 0.086 0.000 1.030 190 V CA -0.938 61.403 62.300 0.069 0.000 1.033 190 V CB 0.657 32.523 31.823 0.073 0.000 0.993 190 V HN 0.550 nan 8.190 nan 0.000 0.477 191 P HA 0.330 nan 4.420 nan 0.000 0.286 191 P C -0.484 176.886 177.300 0.117 0.000 1.269 191 P CA -0.298 62.787 63.100 -0.025 0.000 0.787 191 P CB 0.981 32.397 31.700 -0.473 0.000 0.920 192 I N 3.771 124.508 120.570 0.278 0.000 2.337 192 I HA 0.114 4.290 4.170 0.009 0.000 0.291 192 I C 0.330 176.593 176.117 0.243 0.000 1.046 192 I CA -0.711 60.703 61.300 0.190 0.000 1.324 192 I CB 1.060 39.169 38.000 0.183 0.000 1.409 192 I HN 0.023 nan 8.210 nan 0.000 0.494 193 V N 6.942 126.925 119.914 0.116 0.000 2.353 193 V HA 0.146 4.271 4.120 0.009 0.000 0.264 193 V C 0.366 176.468 176.094 0.014 0.000 1.049 193 V CA -0.371 61.978 62.300 0.082 0.000 0.896 193 V CB 0.840 32.620 31.823 -0.071 0.000 1.025 193 V HN 0.702 nan 8.190 nan 0.000 0.475 194 E N 8.153 128.383 120.200 0.051 0.000 2.121 194 E HA 0.367 4.722 4.350 0.009 0.000 0.255 194 E C -2.595 174.030 176.600 0.043 0.000 0.906 194 E CA -2.007 54.413 56.400 0.035 0.000 0.745 194 E CB 1.713 31.438 29.700 0.043 0.000 1.155 194 E HN 0.435 nan 8.360 nan 0.000 0.424 195 P HA 0.180 nan 4.420 nan 0.000 0.227 195 P C -0.911 176.407 177.300 0.029 0.000 1.815 195 P CA -0.377 62.740 63.100 0.028 0.000 1.134 195 P CB 0.208 31.915 31.700 0.011 0.000 1.795 196 E N 3.370 123.590 120.200 0.033 0.000 2.265 196 E HA 0.135 4.491 4.350 0.009 0.000 0.272 196 E C -0.521 176.096 176.600 0.028 0.000 1.067 196 E CA -0.408 56.015 56.400 0.038 0.000 0.900 196 E CB 0.121 29.846 29.700 0.042 0.000 1.017 196 E HN 0.353 nan 8.360 nan 0.000 0.431 197 I N 6.540 127.125 120.570 0.025 0.000 2.322 197 I HA 0.088 4.263 4.170 0.009 0.000 0.292 197 I C 0.352 176.470 176.117 0.001 0.000 1.060 197 I CA -0.384 60.919 61.300 0.006 0.000 1.309 197 I CB 0.511 38.506 38.000 -0.009 0.000 1.415 197 I HN 0.488 nan 8.210 nan 0.000 0.492 198 L N 5.426 126.651 121.223 0.002 0.000 2.499 198 L HA 0.042 4.388 4.340 0.009 0.000 0.281 198 L C 1.464 178.304 176.870 -0.050 0.000 1.234 198 L CA 0.065 54.905 54.840 0.000 0.000 0.839 198 L CB 0.607 42.685 42.059 0.031 0.000 1.104 198 L HN 0.726 nan 8.230 nan 0.000 0.500 199 A N 1.108 123.807 122.820 -0.200 0.000 2.278 199 A HA 0.054 4.379 4.320 0.009 0.000 0.212 199 A C 0.243 177.503 177.584 -0.539 0.000 1.213 199 A CA -0.236 51.523 52.037 -0.463 0.000 0.840 199 A CB -0.546 17.886 19.000 -0.947 0.000 0.866 199 A HN 0.758 nan 8.150 nan 0.000 0.489 200 D N 0.373 120.676 120.400 -0.160 0.000 2.455 200 D HA 0.450 5.095 4.640 0.009 0.000 0.241 200 D C 0.855 177.221 176.300 0.109 0.000 1.138 200 D CA 1.909 55.956 54.000 0.078 0.000 0.877 200 D CB 0.607 41.499 40.800 0.152 0.000 1.187 200 D HN 0.610 nan 8.370 nan 0.000 0.451 201 G N 2.326 111.177 108.800 0.084 0.000 2.434 201 G HA2 -0.037 3.928 3.960 0.009 0.000 0.671 201 G HA3 -0.037 3.928 3.960 0.009 0.000 0.671 201 G C -2.653 172.199 174.900 -0.079 0.000 1.280 201 G CA -0.707 44.435 45.100 0.070 0.000 0.975 201 G HN 0.399 nan 8.290 nan 0.000 0.510 202 P HA 0.190 nan 4.420 nan 0.000 0.280 202 P C 0.431 177.668 177.300 -0.104 0.000 1.431 202 P CA -0.070 62.979 63.100 -0.085 0.000 1.058 202 P CB -0.223 31.474 31.700 -0.005 0.000 1.521 203 H N -0.153 118.915 119.070 -0.003 0.000 2.771 203 H HA 0.286 4.846 4.556 0.006 0.000 0.364 203 H C 0.164 175.489 175.328 -0.004 0.000 1.133 203 H CA -0.212 55.834 56.048 -0.004 0.000 1.423 203 H CB 0.181 29.936 29.762 -0.012 0.000 1.425 203 H HN -0.020 nan 8.280 nan 0.000 0.606 204 S N 1.598 117.371 115.700 0.123 0.000 2.614 204 S HA 0.056 4.532 4.470 0.009 0.000 0.265 204 S C 1.471 176.148 174.600 0.129 0.000 1.303 204 S CA -0.567 57.678 58.200 0.075 0.000 1.000 204 S CB 0.802 64.041 63.200 0.066 0.000 0.935 204 S HN 0.774 nan 8.310 nan 0.000 0.551 205 I N 0.476 121.095 120.570 0.082 0.000 2.361 205 I HA -0.153 4.022 4.170 0.009 0.000 0.251 205 I C 2.013 178.181 176.117 0.084 0.000 1.133 205 I CA 1.536 62.888 61.300 0.086 0.000 1.413 205 I CB -0.224 37.815 38.000 0.064 0.000 1.073 205 I HN 0.763 nan 8.210 nan 0.000 0.424 206 E N 0.073 120.320 120.200 0.080 0.000 2.072 206 E HA -0.178 4.178 4.350 0.009 0.000 0.191 206 E C 2.152 178.783 176.600 0.052 0.000 0.985 206 E CA 1.417 57.857 56.400 0.067 0.000 0.801 206 E CB -0.299 29.442 29.700 0.068 0.000 0.750 206 E HN 0.331 nan 8.360 nan 0.000 0.452 207 V N 0.545 120.497 119.914 0.062 0.000 2.343 207 V HA -0.321 3.804 4.120 0.009 0.000 0.247 207 V C 2.421 178.506 176.094 -0.016 0.000 1.051 207 V CA 1.713 64.031 62.300 0.029 0.000 1.036 207 V CB -0.503 31.349 31.823 0.048 0.000 0.654 207 V HN 0.548 nan 8.190 nan 0.000 0.451 208 C N 0.427 119.738 119.300 0.020 0.000 2.413 208 C HA -0.158 4.308 4.460 0.009 0.000 0.276 208 C C 3.077 178.061 174.990 -0.010 0.000 1.248 208 C CA 0.974 59.980 59.018 -0.020 0.000 1.742 208 C CB -1.267 26.519 27.740 0.076 0.000 2.017 208 C HN 0.589 nan 8.230 nan 0.000 0.481 209 A N -0.102 122.724 122.820 0.009 0.000 1.877 209 A HA -0.080 4.246 4.320 0.009 0.000 0.216 209 A C 2.374 179.955 177.584 -0.004 0.000 1.186 209 A CA 2.333 54.369 52.037 -0.002 0.000 0.620 209 A CB -0.975 18.022 19.000 -0.005 0.000 0.822 209 A HN 0.479 nan 8.150 nan 0.000 0.443 210 V N -0.374 119.540 119.914 -0.000 0.000 2.287 210 V HA -0.248 3.877 4.120 0.009 0.000 0.248 210 V C 2.591 178.681 176.094 -0.006 0.000 1.053 210 V CA 2.137 64.437 62.300 0.000 0.000 1.027 210 V CB -0.752 31.073 31.823 0.003 0.000 0.646 210 V HN 0.386 nan 8.190 nan 0.000 0.447 211 V N -0.384 119.516 119.914 -0.024 0.000 2.307 211 V HA -0.234 3.891 4.120 0.009 0.000 0.245 211 V C 2.549 178.637 176.094 -0.011 0.000 1.045 211 V CA 2.502 64.784 62.300 -0.029 0.000 1.024 211 V CB -1.003 30.777 31.823 -0.073 0.000 0.651 211 V HN 0.606 nan 8.190 nan 0.000 0.449 212 T N -0.646 113.902 114.554 -0.010 0.000 2.788 212 T HA -0.287 4.068 4.350 0.009 0.000 0.268 212 T C 1.892 176.606 174.700 0.023 0.000 1.044 212 T CA 1.864 63.970 62.100 0.009 0.000 1.139 212 T CB -0.218 68.657 68.868 0.013 0.000 0.867 212 T HN 0.525 nan 8.240 nan 0.000 0.454 213 Q N 0.767 120.576 119.800 0.016 0.000 2.079 213 Q HA -0.126 4.219 4.340 0.009 0.000 0.200 213 Q C 2.381 178.403 176.000 0.037 0.000 0.974 213 Q CA 1.430 57.246 55.803 0.022 0.000 0.840 213 Q CB -0.060 28.685 28.738 0.010 0.000 0.898 213 Q HN 0.435 nan 8.270 nan 0.000 0.430 214 K N -0.437 119.981 120.400 0.031 0.000 2.026 214 K HA -0.127 4.198 4.320 0.009 0.000 0.208 214 K C 1.975 178.609 176.600 0.057 0.000 1.048 214 K CA 1.396 57.706 56.287 0.039 0.000 0.929 214 K CB -0.021 32.494 32.500 0.026 0.000 0.713 214 K HN 0.097 nan 8.250 nan 0.000 0.439 215 V N 1.928 121.872 119.914 0.050 0.000 2.287 215 V HA -0.281 3.845 4.120 0.009 0.000 0.248 215 V C 2.374 178.520 176.094 0.087 0.000 1.053 215 V CA 1.701 64.037 62.300 0.061 0.000 1.027 215 V CB -0.371 31.478 31.823 0.042 0.000 0.646 215 V HN 0.361 nan 8.190 nan 0.000 0.447 216 L N -0.331 120.953 121.223 0.101 0.000 2.056 216 L HA -0.147 4.198 4.340 0.009 0.000 0.207 216 L C 2.649 179.677 176.870 0.263 0.000 1.078 216 L CA 1.694 56.645 54.840 0.184 0.000 0.749 216 L CB -0.680 41.488 42.059 0.183 0.000 0.901 216 L HN 0.356 nan 8.230 nan 0.000 0.433 217 S N -0.754 115.044 115.700 0.164 0.000 2.370 217 S HA -0.266 4.209 4.470 0.009 0.000 0.226 217 S C 2.111 176.815 174.600 0.174 0.000 1.033 217 S CA 1.604 59.895 58.200 0.151 0.000 1.011 217 S CB -0.666 62.587 63.200 0.088 0.000 0.852 217 S HN 0.561 nan 8.310 nan 0.000 0.457 218 C N 1.361 120.749 119.300 0.148 0.000 2.446 218 C HA -0.002 4.463 4.460 0.009 0.000 0.277 218 C C 2.617 177.702 174.990 0.159 0.000 1.275 218 C CA 0.640 59.755 59.018 0.161 0.000 1.727 218 C CB -1.328 26.504 27.740 0.153 0.000 2.010 218 C HN 0.397 nan 8.230 nan 0.000 0.486 219 V N 0.295 120.273 119.914 0.105 0.000 2.255 219 V HA -0.193 3.932 4.120 0.009 0.000 0.247 219 V C 2.196 178.244 176.094 -0.077 0.000 1.051 219 V CA 2.553 64.840 62.300 -0.021 0.000 1.018 219 V CB -0.881 30.871 31.823 -0.118 0.000 0.641 219 V HN 0.528 nan 8.190 nan 0.000 0.445 220 F N 0.294 120.253 119.950 0.016 0.000 2.234 220 F HA -0.111 4.420 4.527 0.007 0.000 0.299 220 F C 2.346 178.162 175.800 0.025 0.000 1.087 220 F CA 1.758 59.761 58.000 0.005 0.000 1.340 220 F CB -0.392 38.608 39.000 0.000 0.000 1.031 220 F HN 0.063 nan 8.300 nan 0.000 0.500 221 K N 1.142 121.674 120.400 0.220 0.000 2.032 221 K HA -0.137 4.189 4.320 0.009 0.000 0.209 221 K C 2.091 178.788 176.600 0.161 0.000 1.048 221 K CA 1.631 58.024 56.287 0.176 0.000 0.927 221 K CB -0.815 31.790 32.500 0.175 0.000 0.712 221 K HN 0.115 nan 8.250 nan 0.000 0.441 222 A N 0.476 123.388 122.820 0.154 0.000 1.902 222 A HA -0.116 4.210 4.320 0.009 0.000 0.217 222 A C 2.006 179.537 177.584 -0.087 0.000 1.181 222 A CA 1.538 53.635 52.037 0.099 0.000 0.623 222 A CB -0.680 18.355 19.000 0.060 0.000 0.818 222 A HN 0.293 nan 8.150 nan 0.000 0.443 223 L N 0.091 121.252 121.223 -0.103 0.000 2.043 223 L HA -0.232 4.113 4.340 0.009 0.000 0.212 223 L C 2.754 179.581 176.870 -0.071 0.000 1.075 223 L CA 1.912 56.667 54.840 -0.141 0.000 0.752 223 L CB -1.020 40.943 42.059 -0.159 0.000 0.891 223 L HN 0.487 nan 8.230 nan 0.000 0.432 224 Q N -1.046 118.762 119.800 0.013 0.000 2.096 224 Q HA -0.175 4.171 4.340 0.009 0.000 0.197 224 Q C 2.103 178.119 176.000 0.027 0.000 0.964 224 Q CA 0.796 56.620 55.803 0.035 0.000 0.838 224 Q CB -0.205 28.578 28.738 0.077 0.000 0.906 224 Q HN 0.419 nan 8.270 nan 0.000 0.444 225 E N 1.702 121.935 120.200 0.055 0.000 2.086 225 E HA -0.205 4.150 4.350 0.009 0.000 0.205 225 E C 1.384 177.983 176.600 -0.003 0.000 1.027 225 E CA 1.670 58.124 56.400 0.091 0.000 0.830 225 E CB -0.220 29.617 29.700 0.228 0.000 0.751 225 E HN 0.353 nan 8.360 nan 0.000 0.456 226 N N -1.455 117.158 118.700 -0.145 0.000 2.461 226 N HA 0.125 4.870 4.740 0.009 0.000 0.188 226 N C 0.398 175.824 175.510 -0.141 0.000 1.134 226 N CA 0.747 53.666 53.050 -0.218 0.000 0.878 226 N CB 0.897 39.135 38.487 -0.415 0.000 0.972 226 N HN 0.269 nan 8.380 nan 0.000 0.456 227 G N -0.315 108.433 108.800 -0.087 0.000 2.149 227 G HA2 -0.256 3.709 3.960 0.009 0.000 0.235 227 G HA3 -0.256 3.709 3.960 0.009 0.000 0.235 227 G C -0.146 174.707 174.900 -0.079 0.000 1.018 227 G CA -0.029 45.035 45.100 -0.061 0.000 0.728 227 G HN 0.158 nan 8.290 nan 0.000 0.508 228 V N 0.789 120.641 119.914 -0.103 0.000 2.585 228 V HA 0.326 4.451 4.120 0.009 0.000 0.296 228 V C 1.090 177.146 176.094 -0.063 0.000 1.035 228 V CA -0.028 62.203 62.300 -0.115 0.000 1.084 228 V CB 1.474 33.205 31.823 -0.154 0.000 0.953 228 V HN 0.500 nan 8.190 nan 0.000 0.483 229 L N 5.991 127.177 121.223 -0.062 0.000 2.325 229 L HA 0.258 4.603 4.340 0.009 0.000 0.284 229 L C 0.960 177.820 176.870 -0.017 0.000 1.089 229 L CA 0.532 55.353 54.840 -0.031 0.000 0.836 229 L CB 0.301 42.340 42.059 -0.035 0.000 1.184 229 L HN 0.592 nan 8.230 nan 0.000 0.444 230 L N 2.853 124.088 121.223 0.020 0.000 2.141 230 L HA -0.139 4.206 4.340 0.009 0.000 0.209 230 L C 1.774 178.668 176.870 0.039 0.000 1.094 230 L CA 0.990 55.864 54.840 0.056 0.000 0.763 230 L CB -0.249 41.882 42.059 0.121 0.000 0.908 230 L HN 0.691 nan 8.230 nan 0.000 0.437 231 E N 0.189 120.405 120.200 0.026 0.000 2.204 231 E HA -0.123 4.232 4.350 0.009 0.000 0.195 231 E C 1.669 178.268 176.600 -0.002 0.000 0.990 231 E CA 1.090 57.500 56.400 0.017 0.000 0.821 231 E CB -0.174 29.533 29.700 0.011 0.000 0.750 231 E HN 0.416 nan 8.360 nan 0.000 0.477 232 G N -0.654 108.138 108.800 -0.014 0.000 3.820 232 G HA2 0.537 4.502 3.960 0.009 0.000 0.293 232 G HA3 0.537 4.502 3.960 0.009 0.000 0.293 232 G C -0.326 174.551 174.900 -0.040 0.000 1.152 232 G CA 0.264 45.348 45.100 -0.027 0.000 0.921 232 G HN 0.247 nan 8.290 nan 0.000 0.544 233 A N -0.085 122.713 122.820 -0.036 0.000 2.566 233 A HA 0.892 5.217 4.320 0.009 0.000 0.292 233 A C -1.343 176.213 177.584 -0.047 0.000 1.112 233 A CA -0.565 51.442 52.037 -0.050 0.000 0.707 233 A CB 1.548 20.506 19.000 -0.069 0.000 1.302 233 A HN 0.223 nan 8.150 nan 0.000 0.409 234 L N 0.364 121.552 121.223 -0.058 0.000 2.371 234 L HA 0.646 4.991 4.340 0.009 0.000 0.262 234 L C -1.303 175.513 176.870 -0.091 0.000 1.006 234 L CA -0.898 53.893 54.840 -0.083 0.000 0.818 234 L CB 2.151 44.144 42.059 -0.111 0.000 1.354 234 L HN 0.676 nan 8.230 nan 0.000 0.415 235 L N 2.236 123.379 121.223 -0.133 0.000 2.322 235 L HA 0.444 4.789 4.340 0.009 0.000 0.281 235 L C -0.451 176.307 176.870 -0.186 0.000 1.014 235 L CA -0.101 54.649 54.840 -0.151 0.000 0.815 235 L CB 1.329 43.305 42.059 -0.138 0.000 1.247 235 L HN 0.522 nan 8.230 nan 0.000 0.421 236 K N 6.966 127.294 120.400 -0.120 0.000 2.533 236 K HA 0.503 4.829 4.320 0.009 0.000 0.207 236 K C -2.696 173.876 176.600 -0.047 0.000 1.052 236 K CA -1.594 54.638 56.287 -0.092 0.000 1.030 236 K CB 0.728 33.219 32.500 -0.015 0.000 1.522 236 K HN 0.384 nan 8.250 nan 0.000 0.543 237 P HA 0.125 nan 4.420 nan 0.000 0.283 237 P C -1.058 176.334 177.300 0.153 0.000 1.271 237 P CA -0.620 62.491 63.100 0.018 0.000 0.841 237 P CB 0.760 32.452 31.700 -0.013 0.000 1.122 238 N N 1.447 120.232 118.700 0.142 0.000 2.479 238 N HA 0.052 4.797 4.740 0.009 0.000 0.257 238 N C 0.247 175.894 175.510 0.227 0.000 1.232 238 N CA -0.018 53.132 53.050 0.167 0.000 0.920 238 N CB 0.188 38.727 38.487 0.087 0.000 1.105 238 N HN 0.402 nan 8.380 nan 0.000 0.444 239 M N 0.684 120.386 119.600 0.170 0.000 2.245 239 M HA 0.052 4.537 4.480 0.009 0.000 0.330 239 M C -0.021 176.292 176.300 0.022 0.000 1.098 239 M CA -0.418 54.892 55.300 0.016 0.000 1.172 239 M CB 0.755 33.267 32.600 -0.146 0.000 1.467 239 M HN 0.241 nan 8.290 nan 0.000 0.454 240 V N 2.508 122.421 119.914 -0.002 0.000 2.370 240 V HA 0.185 4.310 4.120 0.009 0.000 0.257 240 V C 0.457 176.553 176.094 0.004 0.000 1.064 240 V CA -0.160 62.144 62.300 0.007 0.000 0.975 240 V CB -0.270 31.551 31.823 -0.004 0.000 1.067 240 V HN 0.988 nan 8.190 nan 0.000 0.485 241 T N 2.460 117.022 114.554 0.013 0.000 2.930 241 T HA 0.862 5.217 4.350 0.009 0.000 0.290 241 T C 0.063 174.775 174.700 0.020 0.000 1.052 241 T CA -0.338 61.766 62.100 0.006 0.000 1.017 241 T CB 2.022 70.879 68.868 -0.018 0.000 1.137 241 T HN 0.736 nan 8.240 nan 0.000 0.511 242 A N 0.514 123.327 122.820 -0.011 0.000 2.310 242 A HA 0.696 5.021 4.320 0.009 0.000 0.260 242 A C 0.986 178.422 177.584 -0.246 0.000 1.112 242 A CA -0.161 51.835 52.037 -0.069 0.000 0.804 242 A CB -0.751 18.215 19.000 -0.055 0.000 1.081 242 A HN 1.343 nan 8.150 nan 0.000 0.499 243 G N -1.784 106.664 108.800 -0.586 0.000 2.527 243 G HA2 0.368 4.333 3.960 0.009 0.000 0.248 243 G HA3 0.368 4.333 3.960 0.009 0.000 0.248 243 G C 0.325 175.055 174.900 -0.284 0.000 1.231 243 G CA -0.120 44.522 45.100 -0.763 0.000 0.838 243 G HN 0.567 nan 8.290 nan 0.000 0.570 244 Y N 0.522 120.733 120.300 -0.149 0.000 2.081 244 Y HA -0.121 4.435 4.550 0.011 0.000 0.280 244 Y C 2.363 178.219 175.900 -0.073 0.000 1.163 244 Y CA 1.745 59.799 58.100 -0.077 0.000 1.135 244 Y CB -0.256 38.180 38.460 -0.040 0.000 0.970 244 Y HN 0.530 nan 8.280 nan 0.000 0.498 245 E N -1.018 119.239 120.200 0.094 0.000 2.338 245 E HA 0.151 4.506 4.350 0.009 0.000 0.231 245 E C 0.599 177.195 176.600 -0.007 0.000 1.231 245 E CA -0.194 56.231 56.400 0.040 0.000 1.490 245 E CB -0.237 29.490 29.700 0.045 0.000 1.360 245 E HN 0.234 nan 8.360 nan 0.000 0.435 246 C N -0.242 119.037 119.300 -0.035 0.000 1.434 246 C HA 0.241 4.707 4.460 0.009 0.000 0.198 246 C C 1.808 176.788 174.990 -0.016 0.000 3.065 246 C CA 0.879 59.869 59.018 -0.048 0.000 1.792 246 C CB 0.093 27.785 27.740 -0.079 0.000 2.106 246 C HN 0.670 nan 8.230 nan 0.000 0.271 247 T N -1.090 113.457 114.554 -0.012 0.000 3.304 247 T HA 0.351 4.707 4.350 0.009 0.000 0.269 247 T C 0.420 175.120 174.700 0.001 0.000 0.895 247 T CA 0.567 62.666 62.100 -0.002 0.000 0.948 247 T CB -1.039 67.830 68.868 0.001 0.000 1.242 247 T HN 1.090 nan 8.240 nan 0.000 0.522 248 A N 1.750 124.571 122.820 0.000 0.000 2.547 248 A HA 0.429 4.755 4.320 0.009 0.000 0.233 248 A C 1.245 178.833 177.584 0.006 0.000 1.067 248 A CA 0.095 52.135 52.037 0.005 0.000 0.763 248 A CB 0.183 19.188 19.000 0.008 0.000 1.007 248 A HN 0.289 nan 8.150 nan 0.000 0.506 249 K N 0.134 120.539 120.400 0.008 0.000 2.432 249 K HA 0.030 4.356 4.320 0.009 0.000 0.196 249 K C 0.591 177.198 176.600 0.013 0.000 1.038 249 K CA 1.173 57.466 56.287 0.009 0.000 0.986 249 K CB -0.267 32.238 32.500 0.009 0.000 0.782 249 K HN 0.973 nan 8.250 nan 0.000 0.485 250 T N 1.442 116.004 114.554 0.014 0.000 2.481 250 T HA -0.184 4.171 4.350 0.009 0.000 0.509 250 T C -0.218 174.495 174.700 0.022 0.000 0.816 250 T CA 0.604 62.715 62.100 0.019 0.000 2.695 250 T CB -1.353 67.523 68.868 0.014 0.000 1.693 250 T HN 0.546 nan 8.240 nan 0.000 0.491 251 T N 2.238 116.808 114.554 0.027 0.000 2.899 251 T HA 0.402 4.757 4.350 0.009 0.000 0.295 251 T C 1.564 176.285 174.700 0.035 0.000 1.033 251 T CA 0.209 62.326 62.100 0.028 0.000 1.084 251 T CB 1.599 70.483 68.868 0.028 0.000 0.979 251 T HN 0.564 nan 8.240 nan 0.000 0.532 252 T N 0.447 115.022 114.554 0.034 0.000 2.995 252 T HA -0.083 4.273 4.350 0.009 0.000 0.269 252 T C 1.786 176.516 174.700 0.051 0.000 1.091 252 T CA 1.289 63.411 62.100 0.037 0.000 1.128 252 T CB -0.386 68.505 68.868 0.038 0.000 0.891 252 T HN 0.681 nan 8.240 nan 0.000 0.492 253 Q N 0.775 120.610 119.800 0.058 0.000 2.083 253 Q HA 0.009 4.354 4.340 0.009 0.000 0.198 253 Q C 2.097 178.167 176.000 0.117 0.000 0.969 253 Q CA 1.483 57.333 55.803 0.078 0.000 0.838 253 Q CB -0.199 28.572 28.738 0.056 0.000 0.900 253 Q HN 0.431 nan 8.270 nan 0.000 0.436 254 D N -0.511 119.951 120.400 0.104 0.000 2.144 254 D HA -0.109 4.536 4.640 0.009 0.000 0.199 254 D C 1.781 178.171 176.300 0.150 0.000 0.984 254 D CA 0.747 54.838 54.000 0.152 0.000 0.834 254 D CB -0.061 40.802 40.800 0.105 0.000 0.955 254 D HN 0.038 nan 8.370 nan 0.000 0.465 255 V N 0.670 120.633 119.914 0.082 0.000 2.295 255 V HA -0.177 3.948 4.120 0.009 0.000 0.246 255 V C 2.509 178.617 176.094 0.022 0.000 1.049 255 V CA 2.083 64.403 62.300 0.035 0.000 1.024 255 V CB -0.998 30.826 31.823 0.002 0.000 0.648 255 V HN 0.266 nan 8.190 nan 0.000 0.447 256 G N -0.911 107.922 108.800 0.055 0.000 2.418 256 G HA2 -0.307 3.658 3.960 0.009 0.000 0.217 256 G HA3 -0.307 3.658 3.960 0.009 0.000 0.217 256 G C 1.532 176.503 174.900 0.119 0.000 1.158 256 G CA 1.069 46.207 45.100 0.063 0.000 0.771 256 G HN 0.501 nan 8.290 nan 0.000 0.545 257 F N 1.156 121.133 119.950 0.045 0.000 2.084 257 F HA 0.119 4.670 4.527 0.040 0.000 0.296 257 F C 2.343 178.179 175.800 0.060 0.000 1.111 257 F CA 1.093 59.129 58.000 0.061 0.000 1.224 257 F CB -0.442 38.589 39.000 0.051 0.000 0.991 257 F HN 0.034 nan 8.300 nan 0.000 0.471 258 L N -0.041 121.004 121.223 -0.296 0.000 2.201 258 L HA -0.174 4.171 4.340 0.009 0.000 0.212 258 L C 2.313 179.045 176.870 -0.229 0.000 1.105 258 L CA 1.675 56.286 54.840 -0.381 0.000 0.775 258 L CB -1.016 41.003 42.059 -0.067 0.000 0.913 258 L HN 0.195 nan 8.230 nan 0.000 0.440 259 T N -1.106 113.374 114.554 -0.122 0.000 2.737 259 T HA -0.142 4.214 4.350 0.009 0.000 0.265 259 T C 2.004 176.683 174.700 -0.034 0.000 1.038 259 T CA 1.365 63.430 62.100 -0.059 0.000 1.144 259 T CB -0.224 68.590 68.868 -0.090 0.000 0.866 259 T HN 0.038 nan 8.240 nan 0.000 0.434 260 V N 1.501 121.391 119.914 -0.040 0.000 2.343 260 V HA -0.172 3.954 4.120 0.009 0.000 0.247 260 V C 2.659 178.757 176.094 0.007 0.000 1.051 260 V CA 1.726 64.048 62.300 0.037 0.000 1.036 260 V CB -0.612 31.287 31.823 0.127 0.000 0.654 260 V HN 0.358 nan 8.190 nan 0.000 0.451 261 R N 0.469 120.856 120.500 -0.188 0.000 2.080 261 R HA -0.211 4.134 4.340 0.009 0.000 0.236 261 R C 2.541 178.789 176.300 -0.086 0.000 1.137 261 R CA 2.402 58.379 56.100 -0.205 0.000 0.943 261 R CB -0.658 29.333 30.300 -0.514 0.000 0.846 261 R HN 0.710 nan 8.270 nan 0.000 0.431 262 T N -0.800 113.694 114.554 -0.100 0.000 2.833 262 T HA -0.107 4.248 4.350 0.009 0.000 0.269 262 T C 2.044 176.728 174.700 -0.026 0.000 1.054 262 T CA 1.255 63.327 62.100 -0.048 0.000 1.135 262 T CB -0.310 68.535 68.868 -0.039 0.000 0.869 262 T HN 0.223 nan 8.240 nan 0.000 0.466 263 L N 0.014 121.220 121.223 -0.028 0.000 2.072 263 L HA 0.097 4.442 4.340 0.009 0.000 0.205 263 L C 3.289 180.193 176.870 0.055 0.000 1.079 263 L CA 1.116 55.891 54.840 -0.107 0.000 0.752 263 L CB -0.423 41.472 42.059 -0.273 0.000 0.906 263 L HN 0.157 nan 8.230 nan 0.000 0.436 264 R N -0.076 120.568 120.500 0.241 0.000 2.120 264 R HA -0.101 4.245 4.340 0.009 0.000 0.234 264 R C 2.260 178.649 176.300 0.148 0.000 1.123 264 R CA 0.994 57.284 56.100 0.318 0.000 0.975 264 R CB -0.147 30.283 30.300 0.216 0.000 0.866 264 R HN 0.380 nan 8.270 nan 0.000 0.446 265 R N -0.466 120.074 120.500 0.067 0.000 2.240 265 R HA -0.005 4.340 4.340 0.009 0.000 0.203 265 R C 1.570 177.867 176.300 -0.005 0.000 1.011 265 R CA 1.587 57.703 56.100 0.027 0.000 1.007 265 R CB 0.195 30.503 30.300 0.013 0.000 0.911 265 R HN 0.331 nan 8.270 nan 0.000 0.468 266 T N -4.055 110.473 114.554 -0.042 0.000 2.993 266 T HA 0.189 4.545 4.350 0.009 0.000 0.260 266 T C 0.436 174.904 174.700 -0.385 0.000 0.939 266 T CA -0.260 61.764 62.100 -0.128 0.000 0.886 266 T CB 0.443 69.274 68.868 -0.061 0.000 1.209 266 T HN -0.155 nan 8.240 nan 0.000 0.518 267 V N 4.302 124.009 119.914 -0.345 0.000 2.328 267 V HA 0.473 4.598 4.120 0.009 0.000 0.278 267 V C -2.595 173.431 176.094 -0.112 0.000 1.021 267 V CA -2.166 59.772 62.300 -0.604 0.000 0.838 267 V CB 1.071 32.489 31.823 -0.675 0.000 0.999 267 V HN 0.224 nan 8.190 nan 0.000 0.447 268 P HA 0.220 nan 4.420 nan 0.000 0.271 268 P C -2.183 175.265 177.300 0.248 0.000 1.218 268 P CA -1.528 61.584 63.100 0.020 0.000 0.780 268 P CB 0.236 31.907 31.700 -0.049 0.000 0.901 269 P HA -0.062 nan 4.420 nan 0.000 0.230 269 P C 1.014 178.396 177.300 0.137 0.000 1.158 269 P CA 0.910 64.067 63.100 0.095 0.000 0.769 269 P CB -0.313 31.310 31.700 -0.128 0.000 0.807 270 A N -0.152 122.735 122.820 0.111 0.000 2.070 270 A HA -0.085 4.240 4.320 0.009 0.000 0.220 270 A C 1.199 178.855 177.584 0.121 0.000 1.159 270 A CA 0.479 52.569 52.037 0.088 0.000 0.656 270 A CB -1.107 17.930 19.000 0.062 0.000 0.800 270 A HN 0.178 nan 8.150 nan 0.000 0.453 271 L N 1.733 123.065 121.223 0.182 0.000 2.530 271 L HA 0.110 4.455 4.340 0.009 0.000 0.273 271 L C -1.380 175.606 176.870 0.194 0.000 1.141 271 L CA -1.155 53.784 54.840 0.164 0.000 0.905 271 L CB 1.020 43.169 42.059 0.149 0.000 1.202 271 L HN 0.138 nan 8.230 nan 0.000 0.473 272 P HA 0.020 nan 4.420 nan 0.000 0.223 272 P C 0.467 177.826 177.300 0.099 0.000 1.151 272 P CA 0.643 63.798 63.100 0.091 0.000 0.787 272 P CB 0.511 32.224 31.700 0.023 0.000 0.788 273 G N -1.641 107.178 108.800 0.030 0.000 2.547 273 G HA2 0.436 4.401 3.960 0.009 0.000 0.291 273 G HA3 0.436 4.401 3.960 0.009 0.000 0.291 273 G C -2.095 172.695 174.900 -0.183 0.000 1.471 273 G CA -0.362 44.717 45.100 -0.035 0.000 0.798 273 G HN -0.146 nan 8.290 nan 0.000 0.504 274 V N 0.800 120.542 119.914 -0.287 0.000 2.409 274 V HA 0.564 4.689 4.120 0.009 0.000 0.291 274 V C 0.265 176.056 176.094 -0.505 0.000 1.020 274 V CA -0.735 61.273 62.300 -0.488 0.000 0.848 274 V CB 1.456 32.816 31.823 -0.772 0.000 0.990 274 V HN 1.142 nan 8.190 nan 0.000 0.430 275 V N 2.172 121.834 119.914 -0.419 0.000 2.277 275 V HA 0.571 4.696 4.120 0.009 0.000 0.269 275 V C -0.349 175.607 176.094 -0.230 0.000 1.036 275 V CA -0.563 61.552 62.300 -0.308 0.000 0.821 275 V CB -0.008 31.668 31.823 -0.245 0.000 1.052 275 V HN 0.489 nan 8.190 nan 0.000 0.462 276 F N 5.165 125.082 119.950 -0.055 0.000 2.563 276 F HA 0.466 4.912 4.527 -0.136 0.000 0.363 276 F C 0.541 176.433 175.800 0.154 0.000 1.123 276 F CA -0.379 57.649 58.000 0.045 0.000 1.307 276 F CB 0.822 39.881 39.000 0.099 0.000 1.115 276 F HN 0.636 nan 8.300 nan 0.000 0.592 277 L N 0.801 122.249 121.223 0.377 0.000 2.375 277 L HA 0.463 4.808 4.340 0.009 0.000 0.271 277 L C 0.891 177.989 176.870 0.379 0.000 1.107 277 L CA -0.055 54.997 54.840 0.354 0.000 0.806 277 L CB 1.004 43.188 42.059 0.208 0.000 1.146 277 L HN 0.618 nan 8.230 nan 0.000 0.447 278 S N 0.984 116.855 115.700 0.286 0.000 2.458 278 S HA 0.400 4.875 4.470 0.009 0.000 0.223 278 S C 1.253 175.880 174.600 0.045 0.000 1.019 278 S CA 0.212 58.429 58.200 0.027 0.000 0.937 278 S CB -0.946 62.048 63.200 -0.344 0.000 0.788 278 S HN 1.754 nan 8.310 nan 0.000 0.511 279 G N 1.362 110.214 108.800 0.086 0.000 2.561 279 G HA2 -0.196 3.770 3.960 0.009 0.000 0.289 279 G HA3 -0.196 3.770 3.960 0.009 0.000 0.289 279 G C 0.716 175.672 174.900 0.095 0.000 1.169 279 G CA 0.070 45.233 45.100 0.105 0.000 0.980 279 G HN 1.364 nan 8.290 nan 0.000 0.550 280 G N 0.469 109.373 108.800 0.175 0.000 3.233 280 G HA2 0.437 4.403 3.960 0.009 0.000 0.227 280 G HA3 0.437 4.403 3.960 0.009 0.000 0.227 280 G C 0.690 175.617 174.900 0.044 0.000 1.175 280 G CA 0.958 46.120 45.100 0.104 0.000 0.781 280 G HN 0.751 nan 8.290 nan 0.000 0.542 281 Q N 0.903 120.724 119.800 0.034 0.000 2.454 281 Q HA 0.345 4.690 4.340 0.009 0.000 0.247 281 Q C 0.656 176.614 176.000 -0.070 0.000 1.028 281 Q CA -0.180 55.612 55.803 -0.018 0.000 0.910 281 Q CB 0.949 29.653 28.738 -0.055 0.000 1.276 281 Q HN 0.376 nan 8.270 nan 0.000 0.489 282 S N 0.313 115.972 115.700 -0.068 0.000 2.614 282 S HA 0.068 4.543 4.470 0.009 0.000 0.265 282 S C 0.680 175.208 174.600 -0.120 0.000 1.303 282 S CA -0.656 57.498 58.200 -0.077 0.000 1.000 282 S CB 0.946 64.116 63.200 -0.050 0.000 0.935 282 S HN 0.665 nan 8.310 nan 0.000 0.551 283 E N 0.495 120.628 120.200 -0.111 0.000 2.097 283 E HA -0.243 4.112 4.350 0.009 0.000 0.196 283 E C 1.824 178.335 176.600 -0.149 0.000 1.000 283 E CA 1.704 58.017 56.400 -0.145 0.000 0.804 283 E CB -0.147 29.500 29.700 -0.088 0.000 0.740 283 E HN 0.831 nan 8.360 nan 0.000 0.454 284 E N 0.805 120.958 120.200 -0.079 0.000 2.072 284 E HA -0.149 4.206 4.350 0.009 0.000 0.190 284 E C 1.837 178.415 176.600 -0.036 0.000 0.982 284 E CA 0.948 57.330 56.400 -0.029 0.000 0.803 284 E CB 0.140 29.857 29.700 0.027 0.000 0.755 284 E HN 0.133 nan 8.360 nan 0.000 0.453 285 E N 0.094 120.264 120.200 -0.050 0.000 2.150 285 E HA -0.140 4.215 4.350 0.009 0.000 0.193 285 E C 1.960 178.509 176.600 -0.085 0.000 0.985 285 E CA 0.924 57.298 56.400 -0.042 0.000 0.814 285 E CB -0.231 29.449 29.700 -0.034 0.000 0.752 285 E HN 0.365 nan 8.360 nan 0.000 0.466 286 A N 1.055 123.770 122.820 -0.174 0.000 1.933 286 A HA -0.143 4.182 4.320 0.009 0.000 0.218 286 A C 2.434 179.931 177.584 -0.145 0.000 1.175 286 A CA 1.749 53.616 52.037 -0.283 0.000 0.628 286 A CB -0.241 18.347 19.000 -0.687 0.000 0.814 286 A HN 0.155 nan 8.150 nan 0.000 0.444 287 S N -0.830 114.761 115.700 -0.181 0.000 2.404 287 S HA -0.020 4.456 4.470 0.009 0.000 0.223 287 S C 1.852 176.384 174.600 -0.114 0.000 1.040 287 S CA 0.953 58.996 58.200 -0.261 0.000 0.957 287 S CB -0.272 62.556 63.200 -0.619 0.000 0.826 287 S HN 0.303 nan 8.310 nan 0.000 0.491 288 V N 3.529 123.456 119.914 0.022 0.000 2.295 288 V HA -0.178 3.948 4.120 0.009 0.000 0.246 288 V C 2.073 178.208 176.094 0.068 0.000 1.049 288 V CA 1.630 64.006 62.300 0.128 0.000 1.024 288 V CB -0.754 31.137 31.823 0.113 0.000 0.648 288 V HN 0.429 nan 8.190 nan 0.000 0.447 289 N N 0.069 118.778 118.700 0.015 0.000 2.188 289 N HA -0.106 4.640 4.740 0.009 0.000 0.184 289 N C 1.664 177.152 175.510 -0.037 0.000 1.018 289 N CA 1.112 54.153 53.050 -0.015 0.000 0.858 289 N CB -0.527 37.932 38.487 -0.048 0.000 0.989 289 N HN 0.385 nan 8.380 nan 0.000 0.426 290 L N 1.604 122.819 121.223 -0.013 0.000 2.083 290 L HA -0.082 4.263 4.340 0.009 0.000 0.209 290 L C 1.749 178.658 176.870 0.065 0.000 1.083 290 L CA 1.617 56.466 54.840 0.014 0.000 0.752 290 L CB -1.013 41.116 42.059 0.116 0.000 0.899 290 L HN 0.071 nan 8.230 nan 0.000 0.433 291 N N -1.082 117.670 118.700 0.085 0.000 2.106 291 N HA -0.169 4.576 4.740 0.009 0.000 0.188 291 N C 1.815 177.404 175.510 0.132 0.000 1.029 291 N CA 1.596 54.730 53.050 0.141 0.000 0.848 291 N CB -0.135 38.476 38.487 0.206 0.000 1.007 291 N HN 0.392 nan 8.380 nan 0.000 0.423 292 S N -0.031 115.729 115.700 0.100 0.000 2.399 292 S HA -0.057 4.418 4.470 0.009 0.000 0.231 292 S C 1.936 176.605 174.600 0.114 0.000 1.022 292 S CA 0.829 59.087 58.200 0.096 0.000 0.983 292 S CB -0.287 62.955 63.200 0.070 0.000 0.803 292 S HN 0.350 nan 8.310 nan 0.000 0.480 293 I N 2.001 122.619 120.570 0.081 0.000 2.252 293 I HA -0.155 4.020 4.170 0.009 0.000 0.245 293 I C 2.016 178.306 176.117 0.289 0.000 1.102 293 I CA 0.962 62.321 61.300 0.098 0.000 1.385 293 I CB -0.272 37.692 38.000 -0.059 0.000 1.064 293 I HN 0.266 nan 8.210 nan 0.000 0.414 294 N N 0.694 119.562 118.700 0.280 0.000 2.424 294 N HA 0.051 4.796 4.740 0.009 0.000 0.178 294 N C 1.819 177.475 175.510 0.244 0.000 1.060 294 N CA 0.920 54.195 53.050 0.374 0.000 0.901 294 N CB 0.184 38.831 38.487 0.267 0.000 0.979 294 N HN 0.281 nan 8.380 nan 0.000 0.451 295 A N 1.148 124.082 122.820 0.190 0.000 2.019 295 A HA -0.011 4.314 4.320 0.009 0.000 0.219 295 A C 1.879 179.530 177.584 0.111 0.000 1.164 295 A CA 0.634 52.750 52.037 0.133 0.000 0.644 295 A CB -0.536 18.533 19.000 0.116 0.000 0.805 295 A HN 0.211 nan 8.150 nan 0.000 0.449 296 L N -0.032 121.291 121.223 0.166 0.000 2.762 296 L HA 0.209 4.554 4.340 0.009 0.000 0.250 296 L C 1.114 177.965 176.870 -0.032 0.000 1.160 296 L CA 0.254 55.184 54.840 0.151 0.000 0.951 296 L CB -1.492 40.738 42.059 0.286 0.000 1.148 296 L HN 0.599 nan 8.230 nan 0.000 0.424 297 G N 0.164 108.879 108.800 -0.142 0.000 2.712 297 G HA2 -0.148 3.817 3.960 0.009 0.000 0.686 297 G HA3 -0.148 3.817 3.960 0.009 0.000 0.686 297 G C -2.723 171.888 174.900 -0.482 0.000 1.321 297 G CA -1.344 43.631 45.100 -0.209 0.000 0.813 297 G HN -0.001 nan 8.290 nan 0.000 0.599 298 P HA 0.009 nan 4.420 nan 0.000 0.255 298 P C 0.092 177.211 177.300 -0.301 0.000 1.151 298 P CA 0.698 63.670 63.100 -0.213 0.000 0.767 298 P CB -0.013 31.630 31.700 -0.095 0.000 0.736 299 H N 4.314 123.384 119.070 0.001 0.000 2.496 299 H HA 0.202 4.978 4.556 0.367 0.000 0.342 299 H C -1.330 173.848 175.328 -0.250 0.000 1.170 299 H CA -1.861 54.141 56.048 -0.077 0.000 1.274 299 H CB 0.227 30.075 29.762 0.144 0.000 1.538 299 H HN 0.249 nan 8.280 nan 0.000 0.542 300 P HA -0.046 nan 4.420 nan 0.000 0.230 300 P C -0.198 176.736 177.300 -0.609 0.000 1.158 300 P CA 1.022 63.698 63.100 -0.706 0.000 0.769 300 P CB 0.373 31.413 31.700 -1.101 0.000 0.807 301 W N -1.487 119.843 121.300 0.050 0.000 2.975 301 W HA 0.694 5.218 4.660 -0.226 0.000 0.342 301 W C -0.674 175.858 176.519 0.022 0.000 1.168 301 W CA -1.820 55.530 57.345 0.009 0.000 1.141 301 W CB 0.784 30.227 29.460 -0.029 0.000 1.445 301 W HN -0.332 nan 8.180 nan 0.000 0.560 302 A N 2.207 125.180 122.820 0.254 0.000 2.451 302 A HA 0.426 4.751 4.320 0.009 0.000 0.266 302 A C -0.720 176.924 177.584 0.101 0.000 1.119 302 A CA -0.118 51.998 52.037 0.132 0.000 0.786 302 A CB -0.053 18.960 19.000 0.022 0.000 1.061 302 A HN 0.426 nan 8.150 nan 0.000 0.503 303 L N 3.757 125.064 121.223 0.139 0.000 2.272 303 L HA 0.502 4.847 4.340 0.009 0.000 0.284 303 L C 0.793 177.750 176.870 0.145 0.000 1.045 303 L CA 0.693 55.609 54.840 0.126 0.000 0.842 303 L CB 0.487 42.665 42.059 0.198 0.000 1.224 303 L HN 0.922 nan 8.230 nan 0.000 0.430 304 T N 2.694 117.271 114.554 0.039 0.000 2.565 304 T HA 0.720 5.075 4.350 0.009 0.000 0.266 304 T C -1.291 173.416 174.700 0.013 0.000 0.905 304 T CA -0.360 61.741 62.100 0.002 0.000 1.122 304 T CB 0.813 69.537 68.868 -0.240 0.000 1.437 304 T HN 0.120 nan 8.240 nan 0.000 0.506 305 F N 0.195 119.990 119.950 -0.257 0.000 2.563 305 F HA 0.817 5.343 4.527 -0.002 0.000 0.316 305 F C -0.283 175.254 175.800 -0.438 0.000 1.076 305 F CA -1.054 56.598 58.000 -0.580 0.000 0.921 305 F CB 1.895 40.129 39.000 -1.276 0.000 1.209 305 F HN 0.357 nan 8.300 nan 0.000 0.462 306 S N 2.801 118.391 115.700 -0.184 0.000 2.399 306 S HA 0.504 4.980 4.470 0.009 0.000 0.215 306 S C -1.856 172.896 174.600 0.254 0.000 1.456 306 S CA -0.338 57.871 58.200 0.015 0.000 1.199 306 S CB -0.421 62.797 63.200 0.031 0.000 1.063 306 S HN 0.510 nan 8.310 nan 0.000 0.476 307 Y N 1.842 122.325 120.300 0.304 0.000 2.352 307 Y HA 0.624 5.177 4.550 0.004 0.000 0.339 307 Y C 1.071 177.062 175.900 0.150 0.000 0.992 307 Y CA -1.034 57.182 58.100 0.194 0.000 1.100 307 Y CB 1.692 40.227 38.460 0.125 0.000 1.192 307 Y HN 0.564 nan 8.280 nan 0.000 0.458 308 G N 2.325 111.286 108.800 0.268 0.000 2.687 308 G HA2 -0.017 3.949 3.960 0.009 0.000 0.222 308 G HA3 -0.017 3.949 3.960 0.009 0.000 0.222 308 G C 1.499 176.473 174.900 0.123 0.000 1.445 308 G CA -0.001 45.205 45.100 0.177 0.000 0.836 308 G HN 0.559 nan 8.290 nan 0.000 0.598 309 R N 0.613 121.159 120.500 0.077 0.000 2.119 309 R HA -0.095 4.250 4.340 0.009 0.000 0.246 309 R C 2.555 178.849 176.300 -0.010 0.000 1.146 309 R CA 1.914 58.032 56.100 0.031 0.000 0.962 309 R CB -0.442 29.861 30.300 0.005 0.000 0.863 309 R HN 0.292 nan 8.270 nan 0.000 0.442 310 A N 0.098 122.874 122.820 -0.074 0.000 2.121 310 A HA -0.015 4.310 4.320 0.009 0.000 0.218 310 A C 1.899 179.428 177.584 -0.092 0.000 1.154 310 A CA 0.831 52.750 52.037 -0.198 0.000 0.679 310 A CB -0.035 18.601 19.000 -0.607 0.000 0.795 310 A HN 0.391 nan 8.150 nan 0.000 0.458 311 L N -2.334 118.908 121.223 0.031 0.000 2.609 311 L HA 0.110 4.455 4.340 0.009 0.000 0.230 311 L C 2.223 179.135 176.870 0.069 0.000 1.087 311 L CA 0.375 55.251 54.840 0.060 0.000 0.874 311 L CB 0.180 42.323 42.059 0.141 0.000 1.114 311 L HN 0.365 nan 8.230 nan 0.000 0.488 312 Q N -0.932 118.920 119.800 0.087 0.000 2.316 312 Q HA 0.191 4.536 4.340 0.009 0.000 0.235 312 Q C 2.199 178.271 176.000 0.120 0.000 0.863 312 Q CA 0.554 56.436 55.803 0.133 0.000 0.939 312 Q CB 0.586 29.443 28.738 0.197 0.000 1.108 312 Q HN 0.417 nan 8.270 nan 0.000 0.522 313 A N 0.875 123.737 122.820 0.069 0.000 1.859 313 A HA -0.229 4.096 4.320 0.009 0.000 0.217 313 A C 2.163 179.782 177.584 0.060 0.000 1.198 313 A CA 2.176 54.244 52.037 0.051 0.000 0.629 313 A CB -0.663 18.346 19.000 0.014 0.000 0.830 313 A HN 0.233 nan 8.150 nan 0.000 0.446 314 S N -0.868 114.861 115.700 0.050 0.000 2.461 314 S HA -0.012 4.463 4.470 0.009 0.000 0.228 314 S C 1.792 176.442 174.600 0.083 0.000 1.005 314 S CA 0.922 59.154 58.200 0.054 0.000 0.942 314 S CB -0.204 63.017 63.200 0.035 0.000 0.776 314 S HN 0.327 nan 8.310 nan 0.000 0.514 315 V N 1.573 121.545 119.914 0.096 0.000 2.392 315 V HA -0.150 3.975 4.120 0.009 0.000 0.249 315 V C 2.166 178.375 176.094 0.192 0.000 1.059 315 V CA 1.463 63.836 62.300 0.121 0.000 1.051 315 V CB -0.516 31.372 31.823 0.108 0.000 0.658 315 V HN 0.358 nan 8.190 nan 0.000 0.455 316 L N 0.217 121.559 121.223 0.199 0.000 2.068 316 L HA -0.037 4.308 4.340 0.009 0.000 0.204 316 L C 2.281 179.277 176.870 0.210 0.000 1.076 316 L CA 1.701 56.678 54.840 0.227 0.000 0.753 316 L CB -0.618 41.508 42.059 0.112 0.000 0.910 316 L HN 0.293 nan 8.230 nan 0.000 0.439 317 N N -0.919 117.855 118.700 0.122 0.000 2.244 317 N HA -0.105 4.640 4.740 0.009 0.000 0.183 317 N C 1.230 176.787 175.510 0.078 0.000 1.016 317 N CA 1.587 54.680 53.050 0.072 0.000 0.866 317 N CB -0.416 38.097 38.487 0.042 0.000 0.980 317 N HN 0.481 nan 8.380 nan 0.000 0.430 318 T N -3.370 111.253 114.554 0.115 0.000 3.330 318 T HA 0.117 4.472 4.350 0.009 0.000 0.249 318 T C 0.835 175.658 174.700 0.205 0.000 0.980 318 T CA -0.498 61.672 62.100 0.115 0.000 0.920 318 T CB -0.456 68.468 68.868 0.092 0.000 1.065 318 T HN 0.320 nan 8.240 nan 0.000 0.588 319 W N 0.979 122.270 121.300 -0.015 0.000 4.359 319 W HA 0.293 4.959 4.660 0.010 0.000 0.200 319 W C 0.598 177.082 176.519 -0.059 0.000 1.068 319 W CA 0.275 57.607 57.345 -0.021 0.000 1.787 319 W CB 0.407 29.867 29.460 0.000 0.000 0.717 319 W HN 0.161 nan 8.180 nan 0.000 0.930 320 Q N 0.454 120.097 119.800 -0.261 0.000 2.422 320 Q HA -0.216 4.129 4.340 0.009 0.000 0.245 320 Q C 1.280 176.754 176.000 -0.877 0.000 0.922 320 Q CA 2.172 57.701 55.803 -0.457 0.000 1.192 320 Q CB -1.837 26.743 28.738 -0.262 0.000 1.641 320 Q HN 1.012 nan 8.270 nan 0.000 0.552 321 G N -0.770 106.898 108.800 -1.887 0.000 2.213 321 G HA2 -0.289 3.676 3.960 0.009 0.000 0.236 321 G HA3 -0.289 3.676 3.960 0.009 0.000 0.236 321 G C 0.062 174.270 174.900 -1.153 0.000 0.991 321 G CA 0.337 44.256 45.100 -1.968 0.000 0.629 321 G HN 0.269 nan 8.290 nan 0.000 0.517 322 K N 0.647 120.551 120.400 -0.828 0.000 2.205 322 K HA 0.400 4.725 4.320 0.009 0.000 0.279 322 K C 1.109 177.703 176.600 -0.009 0.000 1.027 322 K CA -0.248 55.864 56.287 -0.291 0.000 0.932 322 K CB 1.711 34.090 32.500 -0.203 0.000 1.032 322 K HN 0.147 nan 8.250 nan 0.000 0.466 323 K N 2.268 122.702 120.400 0.057 0.000 2.211 323 K HA -0.186 4.140 4.320 0.009 0.000 0.203 323 K C 0.768 177.441 176.600 0.121 0.000 1.050 323 K CA 1.571 57.943 56.287 0.140 0.000 0.945 323 K CB 0.291 32.843 32.500 0.087 0.000 0.732 323 K HN 0.476 nan 8.250 nan 0.000 0.451 324 E N 0.574 120.818 120.200 0.072 0.000 2.077 324 E HA -0.142 4.213 4.350 0.009 0.000 0.193 324 E C 1.272 177.929 176.600 0.095 0.000 0.989 324 E CA 1.186 57.623 56.400 0.062 0.000 0.800 324 E CB -0.081 29.637 29.700 0.030 0.000 0.746 324 E HN 0.274 nan 8.360 nan 0.000 0.452 325 N N 0.205 118.984 118.700 0.132 0.000 2.521 325 N HA -0.022 4.723 4.740 0.009 0.000 0.188 325 N C 1.216 176.891 175.510 0.276 0.000 1.146 325 N CA 0.152 53.314 53.050 0.186 0.000 0.893 325 N CB 0.177 38.768 38.487 0.174 0.000 0.975 325 N HN 0.018 nan 8.380 nan 0.000 0.451 326 V N 1.335 121.399 119.914 0.250 0.000 2.223 326 V HA -0.257 3.868 4.120 0.009 0.000 0.244 326 V C 2.454 178.588 176.094 0.067 0.000 1.045 326 V CA 2.041 64.424 62.300 0.139 0.000 1.000 326 V CB -1.067 30.817 31.823 0.101 0.000 0.635 326 V HN 0.312 nan 8.190 nan 0.000 0.445 327 A N -0.714 122.145 122.820 0.065 0.000 1.958 327 A HA -0.299 4.027 4.320 0.009 0.000 0.221 327 A C 2.332 179.949 177.584 0.054 0.000 1.178 327 A CA 2.270 54.337 52.037 0.049 0.000 0.642 327 A CB -0.528 18.500 19.000 0.047 0.000 0.816 327 A HN 0.398 nan 8.150 nan 0.000 0.453 328 K N -0.460 119.983 120.400 0.072 0.000 2.155 328 K HA 0.067 4.392 4.320 0.009 0.000 0.203 328 K C 2.161 178.808 176.600 0.077 0.000 1.052 328 K CA 1.192 57.522 56.287 0.071 0.000 0.948 328 K CB -0.393 32.153 32.500 0.077 0.000 0.728 328 K HN 0.412 nan 8.250 nan 0.000 0.448 329 A N 1.098 123.975 122.820 0.094 0.000 1.897 329 A HA -0.090 4.236 4.320 0.009 0.000 0.215 329 A C 2.130 179.731 177.584 0.029 0.000 1.181 329 A CA 0.908 52.992 52.037 0.079 0.000 0.620 329 A CB -0.307 18.740 19.000 0.078 0.000 0.821 329 A HN 0.259 nan 8.150 nan 0.000 0.443 330 R N -0.144 120.361 120.500 0.009 0.000 2.120 330 R HA -0.138 4.207 4.340 0.009 0.000 0.234 330 R C 2.003 178.325 176.300 0.038 0.000 1.123 330 R CA 1.520 57.624 56.100 0.006 0.000 0.975 330 R CB -0.291 30.009 30.300 0.001 0.000 0.866 330 R HN 0.681 nan 8.270 nan 0.000 0.446 331 E N 0.100 120.327 120.200 0.045 0.000 2.077 331 E HA -0.163 4.193 4.350 0.009 0.000 0.193 331 E C 1.941 178.571 176.600 0.050 0.000 0.989 331 E CA 1.472 57.903 56.400 0.053 0.000 0.800 331 E CB 0.022 29.752 29.700 0.049 0.000 0.746 331 E HN 0.109 nan 8.360 nan 0.000 0.452 332 V N 1.233 121.175 119.914 0.046 0.000 2.626 332 V HA -0.200 3.925 4.120 0.009 0.000 0.252 332 V C 2.170 178.285 176.094 0.035 0.000 1.067 332 V CA 0.987 63.311 62.300 0.041 0.000 1.081 332 V CB -0.322 31.531 31.823 0.050 0.000 0.686 332 V HN 0.199 nan 8.190 nan 0.000 0.468 333 L N -0.224 121.022 121.223 0.040 0.000 2.005 333 L HA -0.077 4.269 4.340 0.009 0.000 0.207 333 L C 2.215 179.121 176.870 0.059 0.000 1.072 333 L CA 1.853 56.719 54.840 0.044 0.000 0.744 333 L CB -0.464 41.615 42.059 0.035 0.000 0.895 333 L HN 0.171 nan 8.230 nan 0.000 0.433 334 L N -0.701 120.575 121.223 0.087 0.000 2.079 334 L HA -0.258 4.087 4.340 0.009 0.000 0.210 334 L C 2.669 179.537 176.870 -0.003 0.000 1.081 334 L CA 1.658 56.581 54.840 0.139 0.000 0.752 334 L CB -0.685 41.492 42.059 0.196 0.000 0.896 334 L HN 0.526 nan 8.230 nan 0.000 0.433 335 Q N 0.149 119.946 119.800 -0.005 0.000 2.030 335 Q HA -0.237 4.109 4.340 0.009 0.000 0.204 335 Q C 2.429 178.370 176.000 -0.098 0.000 0.986 335 Q CA 1.597 57.375 55.803 -0.041 0.000 0.843 335 Q CB 0.063 28.802 28.738 0.003 0.000 0.904 335 Q HN 0.380 nan 8.270 nan 0.000 0.420 336 R N -0.337 120.116 120.500 -0.078 0.000 2.092 336 R HA -0.048 4.297 4.340 0.009 0.000 0.231 336 R C 2.224 178.405 176.300 -0.200 0.000 1.119 336 R CA 1.024 57.053 56.100 -0.119 0.000 0.970 336 R CB -0.545 29.713 30.300 -0.069 0.000 0.864 336 R HN 0.365 nan 8.270 nan 0.000 0.440 337 A N 1.151 123.880 122.820 -0.153 0.000 1.902 337 A HA -0.203 4.123 4.320 0.009 0.000 0.217 337 A C 2.065 179.373 177.584 -0.460 0.000 1.181 337 A CA 1.535 53.497 52.037 -0.125 0.000 0.623 337 A CB -0.386 18.718 19.000 0.173 0.000 0.818 337 A HN 0.396 nan 8.150 nan 0.000 0.443 338 E N -0.268 119.362 120.200 -0.949 0.000 2.107 338 E HA -0.053 4.302 4.350 0.009 0.000 0.191 338 E C 2.125 178.486 176.600 -0.399 0.000 0.982 338 E CA 0.789 56.475 56.400 -1.188 0.000 0.809 338 E CB -0.218 28.831 29.700 -1.084 0.000 0.756 338 E HN 0.536 nan 8.360 nan 0.000 0.459 339 A N 1.493 124.143 122.820 -0.283 0.000 1.908 339 A HA -0.204 4.121 4.320 0.009 0.000 0.218 339 A C 1.911 179.221 177.584 -0.456 0.000 1.181 339 A CA 1.636 53.534 52.037 -0.231 0.000 0.627 339 A CB -0.503 18.337 19.000 -0.265 0.000 0.818 339 A HN 0.273 nan 8.150 nan 0.000 0.445 340 N N -0.482 117.954 118.700 -0.440 0.000 2.354 340 N HA -0.073 4.672 4.740 0.009 0.000 0.179 340 N C 1.933 177.399 175.510 -0.072 0.000 1.021 340 N CA 1.208 53.984 53.050 -0.456 0.000 0.887 340 N CB -0.242 37.607 38.487 -1.063 0.000 0.974 340 N HN 0.477 nan 8.380 nan 0.000 0.437 341 S N 1.028 116.759 115.700 0.053 0.000 2.382 341 S HA 0.040 4.515 4.470 0.009 0.000 0.228 341 S C 1.989 176.754 174.600 0.275 0.000 1.027 341 S CA 0.606 58.966 58.200 0.267 0.000 0.991 341 S CB -0.083 63.330 63.200 0.355 0.000 0.823 341 S HN 0.191 nan 8.310 nan 0.000 0.469 342 L N 0.960 122.319 121.223 0.227 0.000 2.109 342 L HA 0.027 4.372 4.340 0.009 0.000 0.207 342 L C 2.947 179.996 176.870 0.299 0.000 1.086 342 L CA 1.016 56.056 54.840 0.333 0.000 0.760 342 L CB -0.688 41.551 42.059 0.299 0.000 0.910 342 L HN 0.391 nan 8.230 nan 0.000 0.437 343 A N -0.471 122.448 122.820 0.164 0.000 1.917 343 A HA -0.271 4.054 4.320 0.009 0.000 0.219 343 A C 2.369 180.050 177.584 0.161 0.000 1.182 343 A CA 2.544 54.663 52.037 0.136 0.000 0.633 343 A CB -1.048 17.937 19.000 -0.026 0.000 0.819 343 A HN 0.364 nan 8.150 nan 0.000 0.448 344 T N -1.405 113.231 114.554 0.135 0.000 2.699 344 T HA -0.191 4.164 4.350 0.009 0.000 0.268 344 T C 1.520 176.215 174.700 -0.008 0.000 1.036 344 T CA 2.015 64.142 62.100 0.046 0.000 1.147 344 T CB -0.429 68.395 68.868 -0.074 0.000 0.862 344 T HN 0.620 nan 8.240 nan 0.000 0.446 345 Y N 0.339 120.732 120.300 0.154 0.000 2.544 345 Y HA 0.297 4.856 4.550 0.015 0.000 0.286 345 Y C 1.897 177.871 175.900 0.123 0.000 1.141 345 Y CA 0.052 58.230 58.100 0.129 0.000 1.299 345 Y CB -0.256 38.272 38.460 0.114 0.000 1.030 345 Y HN 0.322 nan 8.280 nan 0.000 0.543 346 G N 0.555 109.514 108.800 0.265 0.000 2.182 346 G HA2 -0.255 3.710 3.960 0.009 0.000 0.248 346 G HA3 -0.255 3.710 3.960 0.009 0.000 0.248 346 G C 0.239 175.257 174.900 0.197 0.000 1.042 346 G CA 0.035 45.261 45.100 0.210 0.000 0.775 346 G HN 0.210 nan 8.290 nan 0.000 0.501 347 K N -0.539 120.002 120.400 0.235 0.000 3.239 347 K HA 0.263 4.588 4.320 0.009 0.000 0.204 347 K C -0.777 175.946 176.600 0.204 0.000 1.126 347 K CA -0.586 55.809 56.287 0.180 0.000 0.948 347 K CB 0.759 33.348 32.500 0.148 0.000 0.818 347 K HN 0.453 nan 8.250 nan 0.000 0.480 348 Y N 1.169 121.514 120.300 0.075 0.000 2.352 348 Y HA 0.195 4.750 4.550 0.008 0.000 0.339 348 Y C 1.285 177.203 175.900 0.029 0.000 0.992 348 Y CA -0.692 57.436 58.100 0.047 0.000 1.100 348 Y CB 1.053 39.539 38.460 0.043 0.000 1.192 348 Y HN 0.156 nan 8.280 nan 0.000 0.458 349 K N 3.188 123.089 120.400 -0.832 0.000 2.316 349 K HA -0.314 4.011 4.320 0.009 0.000 0.197 349 K C 0.577 176.974 176.600 -0.338 0.000 0.736 349 K CA 2.053 57.921 56.287 -0.698 0.000 1.105 349 K CB -1.260 30.595 32.500 -1.076 0.000 1.063 349 K HN 1.046 nan 8.250 nan 0.000 0.624 350 G N 0.514 109.152 108.800 -0.270 0.000 2.280 350 G HA2 0.158 4.123 3.960 0.009 0.000 0.273 350 G HA3 0.158 4.123 3.960 0.009 0.000 0.273 350 G C 0.224 175.097 174.900 -0.045 0.000 0.778 350 G CA 0.618 45.672 45.100 -0.076 0.000 1.067 350 G HN 0.548 nan 8.290 nan 0.000 0.325 351 G N 1.260 110.033 108.800 -0.044 0.000 4.332 351 G HA2 0.630 4.595 3.960 0.009 0.000 0.321 351 G HA3 0.630 4.595 3.960 0.009 0.000 0.321 351 G C -0.001 174.889 174.900 -0.016 0.000 1.439 351 G CA 0.368 45.452 45.100 -0.026 0.000 0.900 351 G HN 1.182 nan 8.290 nan 0.000 0.515 352 A N 1.009 123.826 122.820 -0.005 0.000 2.838 352 A HA 0.880 5.205 4.320 0.009 0.000 0.337 352 A C 0.602 178.187 177.584 0.002 0.000 1.383 352 A CA 0.054 52.090 52.037 -0.002 0.000 0.985 352 A CB 0.307 19.308 19.000 0.002 0.000 1.157 352 A HN 1.272 nan 8.150 nan 0.000 0.497 353 G N 0.000 108.800 108.800 -0.000 0.000 5.446 353 G HA2 0.000 3.965 3.960 0.009 0.000 0.244 353 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 353 G CA 0.000 45.101 45.100 0.001 0.000 0.502 353 G HN 0.000 nan 8.290 nan 0.000 0.925