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 2elc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDAVKKAILG EVLEEEEAYE VMRALMAGEV SPVRAAGLLV ALSLRGERPH DATA SEQUENCE EIAAMARAMR EAARPLRVHR RPLLDIVGTG GDGKGLMNLS TLAALVAAAG DATA SEQUENCE GVAVAKHGNR AASSRAGSAD LLEALGVDLE APPERVGEAI EELGFGFLFA DATA SEQUENCE RVFHPAMRHV APVRAELGVR TVFNLLGPLT NPAGADAYVL GVFSPEWLAP DATA SEQUENCE MAEALERLGA RGLVVHGEGA DELVLGENRV VEVGKGAYAL TPEEVGLKRA DATA SEQUENCE PLEALKGGGP EENAALARRL LKGEEKGPLA DAVALAAGAG FYAAGKTPSL DATA SEQUENCE KEGVALAREV LASGEAYLLL ERYVAFLRA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.306 176.300 0.010 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.605 32.600 0.008 0.000 1.302 2 D N 3.729 124.135 120.400 0.010 0.000 2.357 2 D HA 0.292 4.932 4.640 0.000 0.000 0.242 2 D C 0.737 177.045 176.300 0.013 0.000 1.153 2 D CA 0.365 54.372 54.000 0.011 0.000 0.918 2 D CB 1.425 42.230 40.800 0.009 0.000 1.181 2 D HN 0.741 nan 8.370 nan 0.000 0.435 3 A N 1.978 124.808 122.820 0.016 0.000 1.933 3 A HA -0.099 4.222 4.320 0.000 0.000 0.218 3 A C 2.362 179.952 177.584 0.011 0.000 1.175 3 A CA 1.465 53.512 52.037 0.018 0.000 0.628 3 A CB -0.722 18.293 19.000 0.025 0.000 0.814 3 A HN 0.464 nan 8.150 nan 0.000 0.444 4 V N 0.144 120.062 119.914 0.008 0.000 2.358 4 V HA -0.257 3.863 4.120 0.000 0.000 0.246 4 V C 2.526 178.622 176.094 0.005 0.000 1.047 4 V CA 2.344 64.646 62.300 0.003 0.000 1.035 4 V CB -0.606 31.218 31.823 0.003 0.000 0.658 4 V HN 0.690 nan 8.190 nan 0.000 0.452 5 K N 0.401 120.805 120.400 0.006 0.000 2.057 5 K HA -0.241 4.079 4.320 0.000 0.000 0.207 5 K C 2.293 178.897 176.600 0.007 0.000 1.049 5 K CA 1.774 58.065 56.287 0.006 0.000 0.931 5 K CB -0.154 32.350 32.500 0.007 0.000 0.714 5 K HN 0.375 nan 8.250 nan 0.000 0.440 6 K N 0.138 120.543 120.400 0.009 0.000 2.063 6 K HA -0.152 4.168 4.320 0.000 0.000 0.208 6 K C 1.927 178.533 176.600 0.010 0.000 1.048 6 K CA 1.307 57.601 56.287 0.011 0.000 0.928 6 K CB -0.171 32.338 32.500 0.015 0.000 0.713 6 K HN 0.231 nan 8.250 nan 0.000 0.442 7 A N 1.254 124.078 122.820 0.006 0.000 1.877 7 A HA -0.125 4.195 4.320 0.000 0.000 0.216 7 A C 2.064 179.649 177.584 0.003 0.000 1.186 7 A CA 1.454 53.492 52.037 0.001 0.000 0.620 7 A CB -0.551 18.445 19.000 -0.007 0.000 0.822 7 A HN 0.350 nan 8.150 nan 0.000 0.443 8 I N -0.291 120.281 120.570 0.004 0.000 2.361 8 I HA -0.220 3.950 4.170 0.000 0.000 0.251 8 I C 1.810 177.931 176.117 0.007 0.000 1.133 8 I CA 0.934 62.237 61.300 0.006 0.000 1.413 8 I CB -0.222 37.782 38.000 0.006 0.000 1.073 8 I HN 0.260 nan 8.210 nan 0.000 0.424 9 L N 0.479 121.706 121.223 0.007 0.000 2.610 9 L HA 0.070 4.410 4.340 0.000 0.000 0.232 9 L C 1.569 178.445 176.870 0.009 0.000 1.149 9 L CA 0.636 55.481 54.840 0.008 0.000 0.872 9 L CB -0.529 41.535 42.059 0.008 0.000 0.992 9 L HN 0.512 nan 8.230 nan 0.000 0.447 10 G N -0.423 108.382 108.800 0.009 0.000 2.143 10 G HA2 -0.211 3.749 3.960 0.000 0.000 0.249 10 G HA3 -0.211 3.749 3.960 0.000 0.000 0.249 10 G C 0.102 175.010 174.900 0.012 0.000 0.981 10 G CA -0.244 44.862 45.100 0.010 0.000 0.665 10 G HN 0.303 nan 8.290 nan 0.000 0.528 11 E N -0.077 120.131 120.200 0.014 0.000 2.313 11 E HA 0.469 4.819 4.350 0.000 0.000 0.272 11 E C 0.740 177.355 176.600 0.025 0.000 1.038 11 E CA -0.618 55.793 56.400 0.019 0.000 0.863 11 E CB 1.947 31.658 29.700 0.019 0.000 1.060 11 E HN 0.130 nan 8.360 nan 0.000 0.402 12 V N 3.556 123.493 119.914 0.037 0.000 2.637 12 V HA 0.047 4.167 4.120 0.000 0.000 0.296 12 V C 0.669 176.810 176.094 0.078 0.000 1.046 12 V CA -0.053 62.281 62.300 0.057 0.000 1.066 12 V CB 0.185 32.062 31.823 0.090 0.000 0.968 12 V HN 0.407 nan 8.190 nan 0.000 0.483 13 L N 4.387 125.657 121.223 0.077 0.000 2.375 13 L HA 0.422 4.762 4.340 0.000 0.000 0.271 13 L C 0.643 177.636 176.870 0.204 0.000 1.107 13 L CA -0.413 54.483 54.840 0.093 0.000 0.806 13 L CB 0.716 42.801 42.059 0.043 0.000 1.146 13 L HN 0.635 nan 8.230 nan 0.000 0.447 14 E N 1.015 121.301 120.200 0.144 0.000 2.392 14 E HA -0.041 4.309 4.350 0.000 0.000 0.259 14 E C 0.556 177.277 176.600 0.202 0.000 1.108 14 E CA -0.185 56.298 56.400 0.139 0.000 0.916 14 E CB 1.019 30.753 29.700 0.057 0.000 0.989 14 E HN 0.574 nan 8.360 nan 0.000 0.432 15 E N 1.407 121.753 120.200 0.244 0.000 2.086 15 E HA -0.271 4.079 4.350 0.000 0.000 0.200 15 E C 1.269 177.964 176.600 0.159 0.000 1.012 15 E CA 1.431 57.986 56.400 0.259 0.000 0.812 15 E CB 0.218 30.029 29.700 0.185 0.000 0.743 15 E HN 0.378 nan 8.360 nan 0.000 0.453 16 E N 0.157 120.419 120.200 0.103 0.000 2.347 16 E HA -0.119 4.231 4.350 0.000 0.000 0.196 16 E C 1.715 178.387 176.600 0.120 0.000 1.008 16 E CA 0.581 57.037 56.400 0.093 0.000 0.852 16 E CB 0.050 29.761 29.700 0.018 0.000 0.783 16 E HN 0.456 nan 8.360 nan 0.000 0.505 17 E N 0.597 120.856 120.200 0.098 0.000 2.112 17 E HA -0.045 4.305 4.350 0.000 0.000 0.190 17 E C 1.996 178.642 176.600 0.078 0.000 0.979 17 E CA 0.776 57.223 56.400 0.079 0.000 0.814 17 E CB 0.029 29.766 29.700 0.061 0.000 0.762 17 E HN 0.161 nan 8.360 nan 0.000 0.460 18 A N 0.777 123.646 122.820 0.082 0.000 1.898 18 A HA -0.203 4.117 4.320 0.000 0.000 0.216 18 A C 2.002 179.615 177.584 0.049 0.000 1.181 18 A CA 1.162 53.220 52.037 0.035 0.000 0.620 18 A CB -0.708 18.295 19.000 0.006 0.000 0.819 18 A HN 0.370 nan 8.150 nan 0.000 0.442 19 Y N 0.756 121.055 120.300 -0.003 0.000 2.145 19 Y HA -0.226 4.324 4.550 0.000 0.000 0.286 19 Y C 2.390 178.289 175.900 -0.001 0.000 1.145 19 Y CA 2.397 60.496 58.100 -0.002 0.000 1.148 19 Y CB -0.249 38.216 38.460 0.008 0.000 0.981 19 Y HN 0.424 nan 8.280 nan 0.000 0.507 20 E N -0.066 120.277 120.200 0.238 0.000 2.085 20 E HA -0.164 4.186 4.350 0.000 0.000 0.194 20 E C 2.125 178.742 176.600 0.029 0.000 0.994 20 E CA 1.857 58.345 56.400 0.146 0.000 0.801 20 E CB -0.721 29.051 29.700 0.120 0.000 0.743 20 E HN 0.328 nan 8.360 nan 0.000 0.453 21 V N 0.431 120.349 119.914 0.006 0.000 2.287 21 V HA -0.263 3.857 4.120 0.000 0.000 0.248 21 V C 2.443 178.505 176.094 -0.053 0.000 1.053 21 V CA 2.062 64.349 62.300 -0.022 0.000 1.027 21 V CB -0.542 31.265 31.823 -0.028 0.000 0.646 21 V HN 0.376 nan 8.190 nan 0.000 0.447 22 M N -0.155 119.382 119.600 -0.105 0.000 2.200 22 M HA -0.065 4.415 4.480 0.000 0.000 0.265 22 M C 2.166 178.385 176.300 -0.134 0.000 1.066 22 M CA 1.630 56.853 55.300 -0.129 0.000 1.127 22 M CB -0.775 31.706 32.600 -0.198 0.000 1.379 22 M HN 0.173 nan 8.290 nan 0.000 0.420 23 R N -0.261 120.119 120.500 -0.201 0.000 2.073 23 R HA -0.125 4.215 4.340 0.000 0.000 0.234 23 R C 1.929 178.195 176.300 -0.057 0.000 1.134 23 R CA 1.730 57.740 56.100 -0.150 0.000 0.952 23 R CB -0.511 29.737 30.300 -0.086 0.000 0.850 23 R HN 0.448 nan 8.270 nan 0.000 0.433 24 A N 1.230 124.027 122.820 -0.038 0.000 1.902 24 A HA -0.163 4.157 4.320 0.000 0.000 0.217 24 A C 2.060 179.614 177.584 -0.050 0.000 1.181 24 A CA 1.117 53.134 52.037 -0.034 0.000 0.623 24 A CB -0.586 18.403 19.000 -0.019 0.000 0.818 24 A HN 0.362 nan 8.150 nan 0.000 0.443 25 L N -0.771 120.437 121.223 -0.024 0.000 2.017 25 L HA -0.142 4.198 4.340 0.000 0.000 0.208 25 L C 2.376 179.250 176.870 0.005 0.000 1.073 25 L CA 1.969 56.815 54.840 0.010 0.000 0.745 25 L CB -0.492 41.619 42.059 0.085 0.000 0.894 25 L HN 0.312 nan 8.230 nan 0.000 0.432 26 M N -1.203 118.413 119.600 0.027 0.000 2.374 26 M HA -0.012 4.468 4.480 0.000 0.000 0.264 26 M C 2.062 178.378 176.300 0.026 0.000 1.067 26 M CA 1.322 56.667 55.300 0.075 0.000 1.103 26 M CB -1.427 31.209 32.600 0.061 0.000 1.402 26 M HN 0.405 nan 8.290 nan 0.000 0.444 27 A N -0.589 122.183 122.820 -0.080 0.000 2.251 27 A HA 0.414 4.734 4.320 0.000 0.000 0.209 27 A C 1.630 179.016 177.584 -0.329 0.000 1.187 27 A CA 0.840 52.806 52.037 -0.118 0.000 0.823 27 A CB -0.642 18.321 19.000 -0.062 0.000 0.846 27 A HN 0.607 nan 8.150 nan 0.000 0.486 28 G N -0.464 107.962 108.800 -0.624 0.000 2.147 28 G HA2 -0.264 3.696 3.960 0.000 0.000 0.244 28 G HA3 -0.264 3.696 3.960 0.000 0.000 0.244 28 G C 0.372 175.086 174.900 -0.309 0.000 1.005 28 G CA 0.611 45.207 45.100 -0.841 0.000 0.713 28 G HN 0.607 nan 8.290 nan 0.000 0.515 29 E N -1.097 118.989 120.200 -0.191 0.000 2.447 29 E HA 0.231 4.581 4.350 0.000 0.000 0.195 29 E C 0.738 177.301 176.600 -0.062 0.000 1.028 29 E CA 0.361 56.703 56.400 -0.096 0.000 0.876 29 E CB 0.682 30.344 29.700 -0.064 0.000 0.885 29 E HN 0.397 nan 8.360 nan 0.000 0.500 30 V N 2.338 122.214 119.914 -0.062 0.000 2.394 30 V HA 0.114 4.234 4.120 0.000 0.000 0.282 30 V C 0.335 176.421 176.094 -0.015 0.000 1.031 30 V CA -0.882 61.403 62.300 -0.026 0.000 0.881 30 V CB 1.447 33.265 31.823 -0.008 0.000 0.982 30 V HN 0.149 nan 8.190 nan 0.000 0.451 31 S N 4.987 120.684 115.700 -0.005 0.000 2.579 31 S HA 0.224 4.694 4.470 0.000 0.000 0.275 31 S C -1.708 172.900 174.600 0.013 0.000 1.345 31 S CA -0.717 57.485 58.200 0.003 0.000 1.031 31 S CB 0.865 64.067 63.200 0.003 0.000 0.892 31 S HN 0.544 nan 8.310 nan 0.000 0.529 32 P HA -0.091 nan 4.420 nan 0.000 0.216 32 P C 1.542 178.852 177.300 0.018 0.000 1.150 32 P CA 0.654 63.766 63.100 0.020 0.000 0.837 32 P CB -0.063 31.647 31.700 0.016 0.000 0.786 33 V N -0.174 119.748 119.914 0.013 0.000 2.295 33 V HA -0.227 3.893 4.120 0.000 0.000 0.246 33 V C 2.486 178.588 176.094 0.014 0.000 1.049 33 V CA 1.766 64.073 62.300 0.012 0.000 1.024 33 V CB -0.817 31.011 31.823 0.009 0.000 0.648 33 V HN 0.084 nan 8.190 nan 0.000 0.447 34 R N -0.238 120.270 120.500 0.013 0.000 2.115 34 R HA -0.038 4.302 4.340 0.000 0.000 0.230 34 R C 2.362 178.673 176.300 0.018 0.000 1.111 34 R CA 1.288 57.396 56.100 0.012 0.000 0.976 34 R CB -0.532 29.773 30.300 0.008 0.000 0.870 34 R HN 0.542 nan 8.270 nan 0.000 0.445 35 A N 1.397 124.233 122.820 0.026 0.000 1.898 35 A HA -0.083 4.237 4.320 0.000 0.000 0.216 35 A C 2.394 180.006 177.584 0.047 0.000 1.181 35 A CA 1.635 53.699 52.037 0.045 0.000 0.620 35 A CB -0.516 18.520 19.000 0.059 0.000 0.819 35 A HN 0.350 nan 8.150 nan 0.000 0.442 36 A N -0.421 122.420 122.820 0.036 0.000 1.877 36 A HA 0.104 4.424 4.320 0.000 0.000 0.216 36 A C 2.433 180.031 177.584 0.025 0.000 1.186 36 A CA 2.019 54.075 52.037 0.031 0.000 0.620 36 A CB -1.447 17.566 19.000 0.022 0.000 0.822 36 A HN 0.734 nan 8.150 nan 0.000 0.443 37 G N 0.498 109.310 108.800 0.019 0.000 2.421 37 G HA2 -0.138 3.822 3.960 0.000 0.000 0.216 37 G HA3 -0.138 3.822 3.960 0.000 0.000 0.216 37 G C 1.508 176.415 174.900 0.012 0.000 1.171 37 G CA 1.401 46.509 45.100 0.014 0.000 0.775 37 G HN 0.886 nan 8.290 nan 0.000 0.543 38 L N -0.588 120.642 121.223 0.011 0.000 2.093 38 L HA 0.219 4.559 4.340 0.000 0.000 0.208 38 L C 2.525 179.393 176.870 -0.004 0.000 1.085 38 L CA 1.273 56.114 54.840 0.002 0.000 0.755 38 L CB -0.697 41.360 42.059 -0.003 0.000 0.904 38 L HN 0.126 nan 8.230 nan 0.000 0.435 39 L N -0.602 120.626 121.223 0.008 0.000 2.093 39 L HA -0.131 4.209 4.340 0.000 0.000 0.208 39 L C 2.591 179.466 176.870 0.007 0.000 1.085 39 L CA 0.849 55.691 54.840 0.004 0.000 0.755 39 L CB -0.540 41.550 42.059 0.052 0.000 0.904 39 L HN 0.184 nan 8.230 nan 0.000 0.435 40 V N -0.080 119.843 119.914 0.015 0.000 2.358 40 V HA -0.252 3.868 4.120 0.000 0.000 0.246 40 V C 2.729 178.833 176.094 0.016 0.000 1.047 40 V CA 1.720 64.030 62.300 0.017 0.000 1.035 40 V CB -0.746 31.087 31.823 0.016 0.000 0.658 40 V HN 0.464 nan 8.190 nan 0.000 0.452 41 A N -0.286 122.541 122.820 0.011 0.000 1.877 41 A HA -0.191 4.129 4.320 0.000 0.000 0.216 41 A C 2.130 179.721 177.584 0.012 0.000 1.186 41 A CA 1.889 53.933 52.037 0.011 0.000 0.620 41 A CB -0.613 18.392 19.000 0.007 0.000 0.822 41 A HN 0.413 nan 8.150 nan 0.000 0.443 42 L N 0.706 121.931 121.223 0.002 0.000 2.046 42 L HA -0.179 4.161 4.340 0.000 0.000 0.208 42 L C 3.060 179.950 176.870 0.032 0.000 1.077 42 L CA 2.401 57.241 54.840 0.000 0.000 0.747 42 L CB -0.637 41.400 42.059 -0.037 0.000 0.896 42 L HN 0.613 nan 8.230 nan 0.000 0.432 43 S N -1.223 114.498 115.700 0.035 0.000 2.368 43 S HA -0.164 4.306 4.470 0.000 0.000 0.224 43 S C 2.051 176.706 174.600 0.091 0.000 1.029 43 S CA 1.122 59.368 58.200 0.076 0.000 0.988 43 S CB -0.816 62.417 63.200 0.054 0.000 0.838 43 S HN 0.391 nan 8.310 nan 0.000 0.462 44 L N 1.674 122.931 121.223 0.057 0.000 2.056 44 L HA -0.025 4.315 4.340 0.000 0.000 0.207 44 L C 3.008 179.904 176.870 0.043 0.000 1.078 44 L CA 1.696 56.565 54.840 0.049 0.000 0.749 44 L CB -0.427 41.651 42.059 0.032 0.000 0.901 44 L HN 0.502 nan 8.230 nan 0.000 0.433 45 R N 0.479 121.002 120.500 0.038 0.000 2.246 45 R HA 0.218 4.558 4.340 0.000 0.000 0.199 45 R C 0.496 176.813 176.300 0.030 0.000 0.984 45 R CA 0.690 56.806 56.100 0.026 0.000 1.015 45 R CB 0.021 30.333 30.300 0.019 0.000 0.930 45 R HN 0.125 nan 8.270 nan 0.000 0.475 46 G N 1.463 110.303 108.800 0.066 0.000 3.439 46 G HA2 -0.156 3.804 3.960 0.000 0.000 0.686 46 G HA3 -0.156 3.804 3.960 0.000 0.000 0.686 46 G C -1.421 173.540 174.900 0.102 0.000 1.075 46 G CA -0.696 44.462 45.100 0.096 0.000 0.926 46 G HN 0.300 nan 8.290 nan 0.000 0.485 47 E N 2.248 122.573 120.200 0.208 0.000 2.376 47 E HA 0.354 4.704 4.350 0.000 0.000 0.266 47 E C 1.166 177.835 176.600 0.115 0.000 1.009 47 E CA -0.018 56.452 56.400 0.117 0.000 0.902 47 E CB 0.680 30.433 29.700 0.089 0.000 0.972 47 E HN 0.533 nan 8.360 nan 0.000 0.439 48 R N 4.190 124.669 120.500 -0.035 0.000 2.528 48 R HA 0.153 4.493 4.340 0.000 0.000 0.271 48 R C -1.768 174.472 176.300 -0.100 0.000 1.056 48 R CA -1.820 54.246 56.100 -0.056 0.000 1.117 48 R CB -0.058 30.190 30.300 -0.086 0.000 1.085 48 R HN 0.355 nan 8.270 nan 0.000 0.530 49 P HA -0.226 nan 4.420 nan 0.000 0.215 49 P C 1.191 178.501 177.300 0.017 0.000 1.157 49 P CA 1.568 64.687 63.100 0.031 0.000 0.874 49 P CB -0.199 31.543 31.700 0.069 0.000 0.790 50 H N -0.262 118.821 119.070 0.022 0.000 2.421 50 H HA -0.043 4.513 4.556 0.000 0.000 0.298 50 H C 1.410 176.751 175.328 0.022 0.000 1.087 50 H CA 1.301 57.361 56.048 0.019 0.000 1.330 50 H CB -0.777 28.995 29.762 0.015 0.000 1.388 50 H HN 0.230 nan 8.280 nan 0.000 0.526 51 E N 0.869 120.757 120.200 -0.519 0.000 2.046 51 E HA -0.023 4.327 4.350 0.000 0.000 0.190 51 E C 2.585 179.099 176.600 -0.142 0.000 0.982 51 E CA 0.927 57.147 56.400 -0.301 0.000 0.800 51 E CB 0.121 29.605 29.700 -0.360 0.000 0.756 51 E HN 0.429 nan 8.360 nan 0.000 0.449 52 I N 1.452 121.945 120.570 -0.130 0.000 2.163 52 I HA -0.289 3.881 4.170 0.000 0.000 0.243 52 I C 2.588 178.664 176.117 -0.068 0.000 1.085 52 I CA 1.083 62.323 61.300 -0.100 0.000 1.347 52 I CB -0.334 37.624 38.000 -0.071 0.000 1.044 52 I HN 0.085 nan 8.210 nan 0.000 0.408 53 A N 0.691 123.494 122.820 -0.029 0.000 1.902 53 A HA -0.152 4.168 4.320 0.000 0.000 0.217 53 A C 2.549 180.152 177.584 0.031 0.000 1.181 53 A CA 1.850 53.887 52.037 0.000 0.000 0.623 53 A CB -0.866 18.149 19.000 0.026 0.000 0.818 53 A HN 0.432 nan 8.150 nan 0.000 0.443 54 A N -0.523 122.331 122.820 0.058 0.000 1.902 54 A HA -0.130 4.190 4.320 0.000 0.000 0.217 54 A C 2.266 179.887 177.584 0.062 0.000 1.181 54 A CA 1.839 53.961 52.037 0.142 0.000 0.623 54 A CB -0.544 18.558 19.000 0.171 0.000 0.818 54 A HN 0.531 nan 8.150 nan 0.000 0.443 55 M N -0.692 118.880 119.600 -0.047 0.000 2.229 55 M HA -0.107 4.373 4.480 0.000 0.000 0.264 55 M C 2.508 178.732 176.300 -0.127 0.000 1.063 55 M CA 1.192 56.407 55.300 -0.142 0.000 1.114 55 M CB -0.424 32.070 32.600 -0.178 0.000 1.387 55 M HN 0.500 nan 8.290 nan 0.000 0.420 56 A N 0.738 123.513 122.820 -0.076 0.000 1.902 56 A HA -0.156 4.164 4.320 0.000 0.000 0.217 56 A C 2.176 179.751 177.584 -0.014 0.000 1.181 56 A CA 1.471 53.480 52.037 -0.048 0.000 0.623 56 A CB -0.570 18.405 19.000 -0.042 0.000 0.818 56 A HN 0.426 nan 8.150 nan 0.000 0.443 57 R N -0.625 119.890 120.500 0.025 0.000 2.092 57 R HA -0.057 4.283 4.340 0.000 0.000 0.231 57 R C 2.471 178.793 176.300 0.037 0.000 1.119 57 R CA 1.136 57.294 56.100 0.098 0.000 0.970 57 R CB -0.451 29.987 30.300 0.229 0.000 0.864 57 R HN 0.515 nan 8.270 nan 0.000 0.440 58 A N 0.999 123.675 122.820 -0.240 0.000 1.933 58 A HA -0.147 4.173 4.320 0.000 0.000 0.218 58 A C 2.160 179.632 177.584 -0.186 0.000 1.175 58 A CA 1.232 52.941 52.037 -0.548 0.000 0.628 58 A CB -0.353 18.068 19.000 -0.965 0.000 0.814 58 A HN 0.183 nan 8.150 nan 0.000 0.444 59 M N -1.255 118.288 119.600 -0.096 0.000 2.132 59 M HA -0.128 4.352 4.480 0.000 0.000 0.263 59 M C 2.406 178.756 176.300 0.084 0.000 1.065 59 M CA 1.385 56.693 55.300 0.012 0.000 1.122 59 M CB -0.277 32.332 32.600 0.015 0.000 1.365 59 M HN 0.364 nan 8.290 nan 0.000 0.411 60 R N -0.224 120.318 120.500 0.070 0.000 2.096 60 R HA -0.184 4.156 4.340 0.000 0.000 0.235 60 R C 2.014 178.360 176.300 0.078 0.000 1.127 60 R CA 1.331 57.487 56.100 0.093 0.000 0.968 60 R CB -0.321 30.016 30.300 0.063 0.000 0.861 60 R HN 0.245 nan 8.270 nan 0.000 0.440 61 E N 0.676 120.918 120.200 0.070 0.000 2.204 61 E HA -0.089 4.261 4.350 0.000 0.000 0.194 61 E C 1.455 178.095 176.600 0.067 0.000 0.989 61 E CA 1.308 57.754 56.400 0.077 0.000 0.824 61 E CB 0.037 29.805 29.700 0.114 0.000 0.756 61 E HN 0.349 nan 8.360 nan 0.000 0.477 62 A N -0.206 122.655 122.820 0.068 0.000 2.178 62 A HA 0.486 4.806 4.320 0.000 0.000 0.211 62 A C 1.239 178.873 177.584 0.083 0.000 1.157 62 A CA 0.519 52.599 52.037 0.073 0.000 0.780 62 A CB -0.289 18.756 19.000 0.075 0.000 0.828 62 A HN 0.287 nan 8.150 nan 0.000 0.476 63 A N 0.268 123.144 122.820 0.093 0.000 2.346 63 A HA 0.503 4.823 4.320 0.000 0.000 0.252 63 A C 0.416 178.012 177.584 0.020 0.000 1.089 63 A CA -0.524 51.539 52.037 0.043 0.000 0.797 63 A CB 0.109 19.092 19.000 -0.029 0.000 1.047 63 A HN 0.514 nan 8.150 nan 0.000 0.494 64 R N 1.220 121.725 120.500 0.008 0.000 2.491 64 R HA 0.246 4.586 4.340 0.000 0.000 0.283 64 R C -2.213 174.138 176.300 0.085 0.000 1.072 64 R CA -1.164 54.945 56.100 0.016 0.000 1.048 64 R CB 0.027 30.283 30.300 -0.074 0.000 0.983 64 R HN 0.574 nan 8.270 nan 0.000 0.450 65 P HA 0.027 nan 4.420 nan 0.000 0.269 65 P C -0.956 176.394 177.300 0.084 0.000 1.209 65 P CA -0.139 62.990 63.100 0.049 0.000 0.776 65 P CB 0.791 32.507 31.700 0.027 0.000 0.876 66 L N 1.909 123.157 121.223 0.040 0.000 2.753 66 L HA 0.375 4.715 4.340 0.000 0.000 0.259 66 L C -0.799 176.035 176.870 -0.061 0.000 0.958 66 L CA -0.365 54.492 54.840 0.027 0.000 0.955 66 L CB 1.404 43.499 42.059 0.059 0.000 1.317 66 L HN 0.326 nan 8.230 nan 0.000 0.436 67 R N 4.139 124.587 120.500 -0.086 0.000 2.255 67 R HA 0.796 5.136 4.340 0.000 0.000 0.326 67 R C -1.579 174.546 176.300 -0.292 0.000 0.986 67 R CA -0.514 55.488 56.100 -0.162 0.000 0.847 67 R CB 1.375 31.588 30.300 -0.145 0.000 1.111 67 R HN 0.498 nan 8.270 nan 0.000 0.452 68 V N 5.551 125.308 119.914 -0.262 0.000 2.384 68 V HA 0.192 4.312 4.120 0.000 0.000 0.287 68 V C 0.727 176.679 176.094 -0.236 0.000 1.020 68 V CA -0.710 61.433 62.300 -0.261 0.000 0.850 68 V CB 1.414 33.143 31.823 -0.157 0.000 0.987 68 V HN 0.873 nan 8.190 nan 0.000 0.436 69 H N 3.045 122.108 119.070 -0.012 0.000 2.470 69 H HA 0.132 4.688 4.556 0.000 0.000 0.289 69 H C 0.968 176.288 175.328 -0.013 0.000 1.033 69 H CA 0.429 56.472 56.048 -0.009 0.000 1.331 69 H CB 0.326 30.088 29.762 -0.001 0.000 1.414 69 H HN 0.464 nan 8.280 nan 0.000 0.545 70 R N 1.881 122.426 120.500 0.075 0.000 2.537 70 R HA 0.225 4.565 4.340 0.000 0.000 0.280 70 R C 0.128 176.431 176.300 0.005 0.000 1.058 70 R CA 0.104 56.226 56.100 0.035 0.000 1.057 70 R CB 0.810 31.118 30.300 0.014 0.000 0.973 70 R HN 0.016 nan 8.270 nan 0.000 0.438 71 R N 2.412 122.917 120.500 0.008 0.000 2.626 71 R HA 0.350 4.690 4.340 0.000 0.000 0.274 71 R C -2.346 173.953 176.300 -0.002 0.000 1.031 71 R CA -1.820 54.276 56.100 -0.005 0.000 0.898 71 R CB 1.338 31.640 30.300 0.002 0.000 1.222 71 R HN 0.618 nan 8.270 nan 0.000 0.455 72 P HA 0.252 nan 4.420 nan 0.000 0.272 72 P C -0.863 176.408 177.300 -0.049 0.000 1.230 72 P CA -0.582 62.501 63.100 -0.028 0.000 0.788 72 P CB 0.853 32.536 31.700 -0.028 0.000 0.949 73 L N 2.397 123.569 121.223 -0.085 0.000 2.343 73 L HA 0.413 4.753 4.340 0.000 0.000 0.278 73 L C -0.913 175.834 176.870 -0.205 0.000 0.996 73 L CA -0.923 53.842 54.840 -0.126 0.000 0.831 73 L CB 1.111 43.092 42.059 -0.129 0.000 1.232 73 L HN 0.317 nan 8.230 nan 0.000 0.413 74 L N 4.572 125.676 121.223 -0.199 0.000 2.325 74 L HA 0.701 5.041 4.340 0.000 0.000 0.279 74 L C -1.059 175.635 176.870 -0.294 0.000 1.054 74 L CA 0.291 54.975 54.840 -0.261 0.000 0.804 74 L CB 1.454 43.415 42.059 -0.163 0.000 1.200 74 L HN 0.689 nan 8.230 nan 0.000 0.436 75 D N 3.799 123.958 120.400 -0.401 0.000 2.879 75 D HA 0.458 5.098 4.640 0.000 0.000 0.236 75 D C -1.328 174.914 176.300 -0.096 0.000 1.171 75 D CA -0.134 53.715 54.000 -0.252 0.000 0.868 75 D CB 1.660 42.278 40.800 -0.304 0.000 1.598 75 D HN 0.498 nan 8.370 nan 0.000 0.497 76 I N 3.340 123.919 120.570 0.014 0.000 2.411 76 I HA 0.470 4.640 4.170 0.000 0.000 0.284 76 I C -0.566 175.616 176.117 0.109 0.000 1.012 76 I CA -0.926 60.412 61.300 0.063 0.000 1.119 76 I CB 1.796 39.816 38.000 0.033 0.000 1.261 76 I HN 0.099 nan 8.210 nan 0.000 0.448 77 V N 5.116 125.113 119.914 0.139 0.000 3.216 77 V HA 0.931 5.051 4.120 0.000 0.000 0.302 77 V C -0.824 175.334 176.094 0.107 0.000 1.286 77 V CA -0.174 62.206 62.300 0.132 0.000 1.048 77 V CB 2.446 34.369 31.823 0.167 0.000 1.081 77 V HN 0.748 nan 8.190 nan 0.000 0.442 78 G N 0.493 109.342 108.800 0.083 0.000 2.658 78 G HA2 0.508 4.468 3.960 0.000 0.000 0.292 78 G HA3 0.508 4.468 3.960 0.000 0.000 0.292 78 G C 0.568 175.503 174.900 0.059 0.000 1.320 78 G CA 0.293 45.438 45.100 0.075 0.000 0.933 78 G HN 1.318 nan 8.290 nan 0.000 0.476 79 T N -2.241 112.359 114.554 0.077 0.000 3.055 79 T HA 0.400 4.750 4.350 0.000 0.000 0.265 79 T C 1.465 176.199 174.700 0.058 0.000 1.111 79 T CA 1.163 63.305 62.100 0.071 0.000 1.118 79 T CB -0.519 68.438 68.868 0.147 0.000 0.909 79 T HN 2.384 nan 8.240 nan 0.000 0.501 80 G N 0.359 109.204 108.800 0.075 0.000 2.828 80 G HA2 0.293 4.253 3.960 0.000 0.000 0.463 80 G HA3 0.293 4.253 3.960 0.000 0.000 0.463 80 G C 0.732 175.634 174.900 0.003 0.000 1.394 80 G CA -0.082 45.041 45.100 0.038 0.000 0.862 80 G HN 1.597 nan 8.290 nan 0.000 0.540 81 G N -0.642 108.147 108.800 -0.017 0.000 2.180 81 G HA2 -0.167 3.793 3.960 0.000 0.000 0.263 81 G HA3 -0.167 3.793 3.960 0.000 0.000 0.263 81 G C 1.029 175.907 174.900 -0.038 0.000 0.989 81 G CA 1.518 46.584 45.100 -0.056 0.000 0.692 81 G HN 2.477 nan 8.290 nan 0.000 0.526 82 D N -0.792 119.636 120.400 0.047 0.000 2.315 82 D HA 0.200 4.840 4.640 0.000 0.000 0.211 82 D C 2.149 178.493 176.300 0.073 0.000 0.977 82 D CA 2.032 56.101 54.000 0.117 0.000 0.894 82 D CB -0.674 40.226 40.800 0.166 0.000 0.910 82 D HN 1.701 nan 8.370 nan 0.000 0.490 83 G N 0.034 108.855 108.800 0.035 0.000 2.268 83 G HA2 -0.371 3.589 3.960 0.000 0.000 0.240 83 G HA3 -0.371 3.589 3.960 0.000 0.000 0.240 83 G C 1.260 176.178 174.900 0.030 0.000 1.010 83 G CA 0.383 45.498 45.100 0.026 0.000 0.618 83 G HN 0.290 nan 8.290 nan 0.000 0.516 84 K N 1.075 121.499 120.400 0.040 0.000 2.281 84 K HA 0.045 4.365 4.320 0.000 0.000 0.203 84 K C 2.074 178.686 176.600 0.021 0.000 1.046 84 K CA 1.363 57.668 56.287 0.030 0.000 0.938 84 K CB -0.918 31.599 32.500 0.028 0.000 0.737 84 K HN 1.615 nan 8.250 nan 0.000 0.458 85 G N 1.897 110.710 108.800 0.021 0.000 2.296 85 G HA2 -0.281 3.679 3.960 0.000 0.000 0.282 85 G HA3 -0.281 3.679 3.960 0.000 0.000 0.282 85 G C 0.188 175.096 174.900 0.013 0.000 1.014 85 G CA 0.399 45.508 45.100 0.015 0.000 0.812 85 G HN 0.229 nan 8.290 nan 0.000 0.508 86 L N -0.889 120.343 121.223 0.015 0.000 2.472 86 L HA 0.364 4.704 4.340 0.000 0.000 0.260 86 L C 1.538 178.415 176.870 0.011 0.000 1.209 86 L CA -0.660 54.187 54.840 0.011 0.000 0.817 86 L CB 0.531 42.594 42.059 0.008 0.000 1.106 86 L HN 0.339 nan 8.230 nan 0.000 0.479 87 M N 2.353 121.958 119.600 0.008 0.000 2.248 87 M HA -0.019 4.461 4.480 0.000 0.000 0.345 87 M C 0.284 176.591 176.300 0.012 0.000 1.243 87 M CA 0.066 55.370 55.300 0.007 0.000 1.090 87 M CB 0.242 32.843 32.600 0.002 0.000 1.683 87 M HN 0.468 nan 8.290 nan 0.000 0.450 88 N N 5.425 124.134 118.700 0.015 0.000 2.402 88 N HA 0.084 4.824 4.740 0.000 0.000 0.259 88 N C 0.173 175.694 175.510 0.019 0.000 1.167 88 N CA 0.180 53.244 53.050 0.024 0.000 0.949 88 N CB 0.206 38.712 38.487 0.031 0.000 1.212 88 N HN 0.781 nan 8.380 nan 0.000 0.493 89 L N 2.027 123.261 121.223 0.019 0.000 2.529 89 L HA -0.038 4.302 4.340 0.000 0.000 0.223 89 L C 2.263 179.145 176.870 0.020 0.000 1.113 89 L CA 0.143 54.991 54.840 0.013 0.000 0.861 89 L CB -0.244 41.821 42.059 0.010 0.000 1.012 89 L HN 0.486 nan 8.230 nan 0.000 0.461 90 S N -0.291 115.431 115.700 0.037 0.000 2.387 90 S HA -0.238 4.232 4.470 0.000 0.000 0.230 90 S C 2.104 176.741 174.600 0.062 0.000 1.035 90 S CA 1.851 60.082 58.200 0.052 0.000 1.014 90 S CB -1.023 62.222 63.200 0.076 0.000 0.836 90 S HN 0.575 nan 8.310 nan 0.000 0.466 91 T N 1.766 116.358 114.554 0.064 0.000 2.746 91 T HA 0.047 4.397 4.350 0.000 0.000 0.267 91 T C 1.905 176.615 174.700 0.016 0.000 1.039 91 T CA 1.366 63.508 62.100 0.070 0.000 1.142 91 T CB -0.907 67.969 68.868 0.014 0.000 0.866 91 T HN 0.420 nan 8.240 nan 0.000 0.444 92 L N 1.114 122.330 121.223 -0.012 0.000 2.056 92 L HA 0.067 4.407 4.340 0.000 0.000 0.207 92 L C 3.367 180.212 176.870 -0.042 0.000 1.078 92 L CA 1.211 56.028 54.840 -0.037 0.000 0.749 92 L CB -0.929 41.117 42.059 -0.023 0.000 0.901 92 L HN 0.369 nan 8.230 nan 0.000 0.433 93 A N 0.299 123.104 122.820 -0.025 0.000 1.933 93 A HA -0.114 4.206 4.320 0.000 0.000 0.218 93 A C 2.560 180.098 177.584 -0.077 0.000 1.175 93 A CA 1.621 53.629 52.037 -0.048 0.000 0.628 93 A CB -0.579 18.402 19.000 -0.031 0.000 0.814 93 A HN 0.390 nan 8.150 nan 0.000 0.444 94 A N -0.297 122.514 122.820 -0.015 0.000 1.902 94 A HA -0.020 4.300 4.320 0.000 0.000 0.217 94 A C 2.146 179.739 177.584 0.014 0.000 1.181 94 A CA 1.446 53.507 52.037 0.040 0.000 0.623 94 A CB -0.548 18.569 19.000 0.194 0.000 0.818 94 A HN 0.465 nan 8.150 nan 0.000 0.443 95 L N -0.671 120.484 121.223 -0.114 0.000 2.093 95 L HA -0.139 4.201 4.340 0.000 0.000 0.208 95 L C 2.510 179.281 176.870 -0.165 0.000 1.085 95 L CA 0.840 55.488 54.840 -0.319 0.000 0.755 95 L CB -0.416 41.401 42.059 -0.403 0.000 0.904 95 L HN 0.245 nan 8.230 nan 0.000 0.435 96 V N -0.029 119.821 119.914 -0.107 0.000 2.295 96 V HA -0.292 3.828 4.120 0.000 0.000 0.246 96 V C 2.740 178.798 176.094 -0.060 0.000 1.049 96 V CA 1.819 64.091 62.300 -0.047 0.000 1.024 96 V CB -0.841 30.966 31.823 -0.028 0.000 0.648 96 V HN 0.484 nan 8.190 nan 0.000 0.447 97 A N -0.032 122.623 122.820 -0.275 0.000 1.908 97 A HA -0.143 4.177 4.320 0.000 0.000 0.218 97 A C 2.406 179.954 177.584 -0.060 0.000 1.181 97 A CA 2.181 53.904 52.037 -0.523 0.000 0.627 97 A CB -0.765 17.898 19.000 -0.562 0.000 0.818 97 A HN 0.579 nan 8.150 nan 0.000 0.445 98 A N -0.279 122.535 122.820 -0.010 0.000 1.930 98 A HA 0.217 4.537 4.320 0.000 0.000 0.217 98 A C 2.436 180.060 177.584 0.067 0.000 1.175 98 A CA 1.838 53.914 52.037 0.064 0.000 0.627 98 A CB -0.899 18.174 19.000 0.122 0.000 0.815 98 A HN 1.083 nan 8.150 nan 0.000 0.443 99 A N -0.667 122.179 122.820 0.043 0.000 2.067 99 A HA 0.197 4.517 4.320 0.000 0.000 0.219 99 A C 2.075 179.732 177.584 0.121 0.000 1.158 99 A CA 1.510 53.581 52.037 0.056 0.000 0.661 99 A CB -0.878 18.142 19.000 0.033 0.000 0.801 99 A HN 0.744 nan 8.150 nan 0.000 0.452 100 G N -2.150 106.793 108.800 0.239 0.000 2.985 100 G HA2 0.377 4.337 3.960 0.000 0.000 0.209 100 G HA3 0.377 4.337 3.960 0.000 0.000 0.209 100 G C 1.049 176.079 174.900 0.217 0.000 1.165 100 G CA 0.478 45.758 45.100 0.300 0.000 0.776 100 G HN 1.568 nan 8.290 nan 0.000 0.541 101 G N -1.383 107.519 108.800 0.170 0.000 2.179 101 G HA2 -0.221 3.739 3.960 0.000 0.000 0.220 101 G HA3 -0.221 3.739 3.960 0.000 0.000 0.220 101 G C 0.141 175.112 174.900 0.119 0.000 0.990 101 G CA 0.030 45.199 45.100 0.114 0.000 0.646 101 G HN 0.630 nan 8.290 nan 0.000 0.517 102 V N 1.565 121.575 119.914 0.160 0.000 2.465 102 V HA 0.715 4.835 4.120 0.000 0.000 0.279 102 V C 1.028 177.151 176.094 0.049 0.000 1.045 102 V CA -0.210 62.153 62.300 0.105 0.000 0.938 102 V CB 1.467 33.358 31.823 0.112 0.000 0.986 102 V HN 1.113 nan 8.190 nan 0.000 0.467 103 A N 5.279 128.109 122.820 0.017 0.000 2.454 103 A HA 0.546 4.866 4.320 0.000 0.000 0.260 103 A C -0.316 177.239 177.584 -0.048 0.000 1.106 103 A CA -0.036 51.994 52.037 -0.012 0.000 0.780 103 A CB 0.102 19.087 19.000 -0.025 0.000 1.044 103 A HN 0.688 nan 8.150 nan 0.000 0.498 104 V N 1.763 121.644 119.914 -0.055 0.000 2.604 104 V HA 0.699 4.819 4.120 0.000 0.000 0.305 104 V C 0.237 176.170 176.094 -0.268 0.000 1.043 104 V CA -0.015 62.221 62.300 -0.107 0.000 0.888 104 V CB 1.812 33.659 31.823 0.040 0.000 0.995 104 V HN 1.224 nan 8.190 nan 0.000 0.429 105 A N 4.126 126.777 122.820 -0.281 0.000 2.763 105 A HA 0.529 4.849 4.320 0.000 0.000 0.325 105 A C -0.321 177.096 177.584 -0.279 0.000 1.209 105 A CA -0.554 51.275 52.037 -0.347 0.000 0.764 105 A CB 0.530 19.351 19.000 -0.300 0.000 1.120 105 A HN 0.540 nan 8.150 nan 0.000 0.463 106 K N 2.160 122.402 120.400 -0.264 0.000 2.312 106 K HA 0.140 4.460 4.320 0.000 0.000 0.287 106 K C -0.832 175.747 176.600 -0.035 0.000 1.062 106 K CA -0.100 56.166 56.287 -0.035 0.000 0.934 106 K CB 0.115 32.713 32.500 0.163 0.000 1.027 106 K HN 0.890 nan 8.250 nan 0.000 0.478 107 H N 2.102 121.109 119.070 -0.105 0.000 2.562 107 H HA 0.437 4.993 4.556 0.000 0.000 0.314 107 H C -0.215 175.096 175.328 -0.027 0.000 1.079 107 H CA -0.460 55.493 56.048 -0.159 0.000 1.349 107 H CB 1.017 30.747 29.762 -0.053 0.000 1.432 107 H HN 0.845 nan 8.280 nan 0.000 0.479 108 G N 3.578 112.315 108.800 -0.105 0.000 2.645 108 G HA2 0.172 4.132 3.960 0.000 0.000 0.292 108 G HA3 0.172 4.132 3.960 0.000 0.000 0.292 108 G C -1.626 173.438 174.900 0.273 0.000 1.415 108 G CA -0.627 44.582 45.100 0.181 0.000 0.785 108 G HN 0.636 nan 8.290 nan 0.000 0.483 109 N N -1.241 117.687 118.700 0.380 0.000 3.243 109 N HA 0.395 5.135 4.740 0.000 0.000 0.280 109 N C -0.699 175.044 175.510 0.388 0.000 1.545 109 N CA -0.681 52.626 53.050 0.427 0.000 0.854 109 N CB 1.937 40.511 38.487 0.145 0.000 1.612 109 N HN 0.513 nan 8.380 nan 0.000 0.577 110 R N -0.118 120.602 120.500 0.366 0.000 2.546 110 R HA 0.672 5.012 4.340 0.000 0.000 0.266 110 R C -0.550 175.825 176.300 0.124 0.000 1.086 110 R CA -0.542 55.692 56.100 0.223 0.000 1.160 110 R CB 0.706 31.145 30.300 0.232 0.000 1.138 110 R HN 0.522 nan 8.270 nan 0.000 0.567 111 A N 0.978 123.848 122.820 0.082 0.000 2.664 111 A HA 0.423 4.743 4.320 0.000 0.000 0.338 111 A C 0.830 178.435 177.584 0.034 0.000 1.280 111 A CA -0.269 51.797 52.037 0.048 0.000 0.809 111 A CB 0.864 19.887 19.000 0.039 0.000 1.114 111 A HN 0.867 nan 8.150 nan 0.000 0.479 112 A N 1.306 124.143 122.820 0.029 0.000 2.038 112 A HA -0.066 4.254 4.320 0.000 0.000 0.224 112 A C 1.337 178.930 177.584 0.014 0.000 1.190 112 A CA 2.371 54.420 52.037 0.020 0.000 0.668 112 A CB -0.252 18.754 19.000 0.009 0.000 0.820 112 A HN 0.706 nan 8.150 nan 0.000 0.474 113 S N -2.334 113.373 115.700 0.012 0.000 2.634 113 S HA 0.420 4.890 4.470 0.000 0.000 0.296 113 S C 0.603 175.211 174.600 0.013 0.000 1.104 113 S CA 0.123 58.329 58.200 0.010 0.000 0.920 113 S CB 1.735 64.938 63.200 0.005 0.000 1.111 113 S HN 0.504 nan 8.310 nan 0.000 0.493 114 S N 1.708 117.415 115.700 0.011 0.000 3.110 114 S HA 0.013 4.483 4.470 0.000 0.000 0.253 114 S C 0.574 175.181 174.600 0.011 0.000 1.074 114 S CA -0.049 58.157 58.200 0.009 0.000 1.201 114 S CB -0.915 62.288 63.200 0.006 0.000 0.889 114 S HN 0.599 nan 8.310 nan 0.000 0.490 115 R N -0.295 120.216 120.500 0.017 0.000 3.121 115 R HA -0.239 4.101 4.340 0.000 0.000 0.233 115 R C 0.594 176.903 176.300 0.016 0.000 0.884 115 R CA 0.687 56.801 56.100 0.023 0.000 0.600 115 R CB -1.900 28.415 30.300 0.025 0.000 1.023 115 R HN 0.623 nan 8.270 nan 0.000 0.482 116 A N 0.075 122.905 122.820 0.015 0.000 2.577 116 A HA 0.298 4.618 4.320 0.000 0.000 0.280 116 A C 1.100 178.696 177.584 0.020 0.000 1.331 116 A CA 0.293 52.336 52.037 0.010 0.000 0.935 116 A CB 0.408 19.413 19.000 0.008 0.000 1.082 116 A HN 0.456 nan 8.150 nan 0.000 0.525 117 G N -0.472 108.349 108.800 0.036 0.000 2.699 117 G HA2 0.295 4.255 3.960 0.000 0.000 0.246 117 G HA3 0.295 4.255 3.960 0.000 0.000 0.246 117 G C 1.237 176.165 174.900 0.047 0.000 1.219 117 G CA 0.369 45.506 45.100 0.061 0.000 0.866 117 G HN 0.737 nan 8.290 nan 0.000 0.572 118 S N 0.189 115.940 115.700 0.086 0.000 2.383 118 S HA -0.130 4.340 4.470 0.000 0.000 0.229 118 S C 2.536 177.062 174.600 -0.124 0.000 1.030 118 S CA 1.641 59.860 58.200 0.031 0.000 1.002 118 S CB -0.494 62.811 63.200 0.175 0.000 0.829 118 S HN 1.067 nan 8.310 nan 0.000 0.467 119 A N 2.323 125.182 122.820 0.064 0.000 1.933 119 A HA -0.103 4.217 4.320 0.000 0.000 0.218 119 A C 1.989 179.473 177.584 -0.166 0.000 1.175 119 A CA 1.554 53.542 52.037 -0.082 0.000 0.628 119 A CB -0.763 18.329 19.000 0.153 0.000 0.814 119 A HN 0.549 nan 8.150 nan 0.000 0.444 120 D N -0.305 120.060 120.400 -0.059 0.000 2.097 120 D HA -0.141 4.499 4.640 0.000 0.000 0.195 120 D C 1.890 178.142 176.300 -0.080 0.000 0.989 120 D CA 1.450 55.416 54.000 -0.056 0.000 0.827 120 D CB -0.389 40.406 40.800 -0.009 0.000 0.966 120 D HN 0.375 nan 8.370 nan 0.000 0.456 121 L N 0.965 122.136 121.223 -0.087 0.000 2.017 121 L HA -0.118 4.222 4.340 0.000 0.000 0.208 121 L C 2.286 179.087 176.870 -0.115 0.000 1.073 121 L CA 1.372 56.161 54.840 -0.084 0.000 0.745 121 L CB -0.605 41.408 42.059 -0.075 0.000 0.894 121 L HN -0.009 nan 8.230 nan 0.000 0.432 122 L N -0.646 120.453 121.223 -0.206 0.000 2.083 122 L HA -0.214 4.127 4.340 0.000 0.000 0.209 122 L C 2.593 179.385 176.870 -0.131 0.000 1.083 122 L CA 1.640 56.353 54.840 -0.211 0.000 0.752 122 L CB -0.513 41.285 42.059 -0.434 0.000 0.899 122 L HN 0.463 nan 8.230 nan 0.000 0.433 123 E N 0.392 120.504 120.200 -0.146 0.000 2.077 123 E HA -0.244 4.106 4.350 0.000 0.000 0.193 123 E C 2.128 178.694 176.600 -0.058 0.000 0.989 123 E CA 1.159 57.501 56.400 -0.097 0.000 0.800 123 E CB 0.003 29.635 29.700 -0.113 0.000 0.746 123 E HN 0.460 nan 8.360 nan 0.000 0.452 124 A N 0.497 123.284 122.820 -0.055 0.000 2.125 124 A HA -0.067 4.253 4.320 0.000 0.000 0.219 124 A C 1.896 179.469 177.584 -0.018 0.000 1.156 124 A CA 0.721 52.740 52.037 -0.031 0.000 0.671 124 A CB -0.232 18.752 19.000 -0.028 0.000 0.794 124 A HN 0.316 nan 8.150 nan 0.000 0.459 125 L N -2.021 119.188 121.223 -0.024 0.000 2.607 125 L HA 0.280 4.620 4.340 0.000 0.000 0.228 125 L C 1.555 178.422 176.870 -0.005 0.000 1.123 125 L CA 0.583 55.421 54.840 -0.003 0.000 0.890 125 L CB 0.271 42.326 42.059 -0.006 0.000 1.103 125 L HN 0.548 nan 8.230 nan 0.000 0.468 126 G N -0.528 108.265 108.800 -0.012 0.000 2.255 126 G HA2 -0.212 3.749 3.960 0.000 0.000 0.196 126 G HA3 -0.212 3.749 3.960 0.000 0.000 0.196 126 G C 0.211 175.107 174.900 -0.007 0.000 0.998 126 G CA -0.298 44.796 45.100 -0.011 0.000 0.656 126 G HN -0.008 nan 8.290 nan 0.000 0.490 127 V N 1.965 121.883 119.914 0.006 0.000 2.585 127 V HA 0.370 4.490 4.120 0.000 0.000 0.296 127 V C 0.478 176.570 176.094 -0.002 0.000 1.035 127 V CA 0.548 62.868 62.300 0.033 0.000 1.084 127 V CB 1.527 33.405 31.823 0.092 0.000 0.953 127 V HN 0.402 nan 8.190 nan 0.000 0.483 128 D N 4.384 124.782 120.400 -0.004 0.000 2.411 128 D HA 0.207 4.847 4.640 0.000 0.000 0.225 128 D C 0.923 177.234 176.300 0.019 0.000 1.156 128 D CA -0.123 53.872 54.000 -0.008 0.000 0.874 128 D CB 0.714 41.503 40.800 -0.019 0.000 1.034 128 D HN 0.452 nan 8.370 nan 0.000 0.502 129 L N 2.663 123.876 121.223 -0.016 0.000 2.450 129 L HA -0.043 4.297 4.340 0.000 0.000 0.224 129 L C 1.568 178.505 176.870 0.111 0.000 1.149 129 L CA 0.788 55.613 54.840 -0.025 0.000 0.816 129 L CB -0.178 41.686 42.059 -0.324 0.000 0.932 129 L HN 0.480 nan 8.230 nan 0.000 0.449 130 E N 0.510 120.752 120.200 0.071 0.000 2.489 130 E HA 0.128 4.478 4.350 0.000 0.000 0.193 130 E C 0.893 177.517 176.600 0.041 0.000 1.057 130 E CA -0.174 56.268 56.400 0.070 0.000 0.866 130 E CB 0.226 29.948 29.700 0.037 0.000 0.916 130 E HN 0.393 nan 8.360 nan 0.000 0.500 131 A N 3.740 126.590 122.820 0.049 0.000 2.546 131 A HA 0.109 4.429 4.320 0.000 0.000 0.243 131 A C -1.938 175.652 177.584 0.009 0.000 1.063 131 A CA -0.999 51.056 52.037 0.029 0.000 0.757 131 A CB -0.189 18.841 19.000 0.050 0.000 0.991 131 A HN -0.022 nan 8.150 nan 0.000 0.503 132 P HA 0.171 nan 4.420 nan 0.000 0.272 132 P C -2.257 175.002 177.300 -0.069 0.000 1.223 132 P CA -1.366 61.691 63.100 -0.072 0.000 0.784 132 P CB 0.295 31.963 31.700 -0.053 0.000 0.923 133 P HA -0.203 nan 4.420 nan 0.000 0.216 133 P C 1.599 178.954 177.300 0.092 0.000 1.154 133 P CA 1.616 64.652 63.100 -0.106 0.000 0.865 133 P CB 0.002 31.537 31.700 -0.275 0.000 0.789 134 E N -0.947 119.276 120.200 0.038 0.000 2.077 134 E HA -0.264 4.086 4.350 0.000 0.000 0.193 134 E C 2.206 178.864 176.600 0.096 0.000 0.989 134 E CA 0.927 57.363 56.400 0.061 0.000 0.800 134 E CB -0.106 29.612 29.700 0.030 0.000 0.746 134 E HN -0.122 nan 8.360 nan 0.000 0.452 135 R N 0.174 120.727 120.500 0.089 0.000 2.075 135 R HA -0.087 4.253 4.340 0.000 0.000 0.232 135 R C 2.111 178.553 176.300 0.237 0.000 1.126 135 R CA 1.213 57.394 56.100 0.134 0.000 0.963 135 R CB -0.697 29.638 30.300 0.059 0.000 0.858 135 R HN 0.087 nan 8.270 nan 0.000 0.435 136 V N -0.069 119.971 119.914 0.211 0.000 2.343 136 V HA -0.126 3.994 4.120 0.000 0.000 0.247 136 V C 2.243 178.456 176.094 0.200 0.000 1.051 136 V CA 2.060 64.517 62.300 0.262 0.000 1.036 136 V CB -1.065 30.949 31.823 0.319 0.000 0.654 136 V HN 0.610 nan 8.190 nan 0.000 0.451 137 G N -0.531 108.365 108.800 0.160 0.000 2.422 137 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 137 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 137 G C 1.447 176.397 174.900 0.084 0.000 1.146 137 G CA 0.761 45.909 45.100 0.080 0.000 0.769 137 G HN 0.582 nan 8.290 nan 0.000 0.547 138 E N 0.539 120.835 120.200 0.160 0.000 2.150 138 E HA -0.001 4.349 4.350 0.000 0.000 0.193 138 E C 2.889 179.554 176.600 0.109 0.000 0.985 138 E CA 0.632 57.157 56.400 0.208 0.000 0.814 138 E CB -0.132 29.772 29.700 0.341 0.000 0.752 138 E HN 0.425 nan 8.360 nan 0.000 0.466 139 A N 1.334 124.198 122.820 0.074 0.000 1.898 139 A HA -0.155 4.165 4.320 0.000 0.000 0.216 139 A C 2.177 179.671 177.584 -0.150 0.000 1.181 139 A CA 0.974 52.809 52.037 -0.336 0.000 0.620 139 A CB -0.538 18.510 19.000 0.081 0.000 0.819 139 A HN 0.120 nan 8.150 nan 0.000 0.442 140 I N -0.282 120.268 120.570 -0.033 0.000 2.226 140 I HA -0.233 3.937 4.170 0.000 0.000 0.245 140 I C 2.480 178.569 176.117 -0.047 0.000 1.100 140 I CA 1.323 62.588 61.300 -0.058 0.000 1.374 140 I CB -0.350 37.600 38.000 -0.083 0.000 1.057 140 I HN 0.307 nan 8.210 nan 0.000 0.413 141 E N 0.640 120.824 120.200 -0.027 0.000 2.047 141 E HA -0.178 4.172 4.350 0.000 0.000 0.191 141 E C 2.119 178.713 176.600 -0.010 0.000 0.987 141 E CA 1.121 57.523 56.400 0.004 0.000 0.799 141 E CB -0.176 29.554 29.700 0.049 0.000 0.752 141 E HN 0.493 nan 8.360 nan 0.000 0.449 142 E N 0.269 120.433 120.200 -0.059 0.000 2.086 142 E HA 0.018 4.368 4.350 0.000 0.000 0.190 142 E C 2.325 178.863 176.600 -0.103 0.000 0.975 142 E CA 0.498 56.852 56.400 -0.075 0.000 0.813 142 E CB 0.022 29.662 29.700 -0.100 0.000 0.768 142 E HN 0.252 nan 8.360 nan 0.000 0.457 143 L N -0.973 120.149 121.223 -0.169 0.000 2.513 143 L HA 0.251 4.591 4.340 0.000 0.000 0.222 143 L C 1.413 178.283 176.870 -0.000 0.000 1.096 143 L CA 0.496 55.286 54.840 -0.084 0.000 0.857 143 L CB 0.186 42.187 42.059 -0.096 0.000 1.026 143 L HN 0.251 nan 8.230 nan 0.000 0.469 144 G N 0.564 109.362 108.800 -0.003 0.000 2.176 144 G HA2 -0.329 3.631 3.960 0.000 0.000 0.253 144 G HA3 -0.329 3.631 3.960 0.000 0.000 0.253 144 G C -0.107 174.837 174.900 0.073 0.000 0.979 144 G CA 0.134 45.250 45.100 0.027 0.000 0.641 144 G HN 0.231 nan 8.290 nan 0.000 0.530 145 F N 0.272 120.153 119.950 -0.114 0.000 2.601 145 F HA 0.676 5.203 4.527 0.000 0.000 0.309 145 F C -0.006 175.660 175.800 -0.223 0.000 1.089 145 F CA 0.155 58.043 58.000 -0.186 0.000 0.940 145 F CB 1.976 40.820 39.000 -0.260 0.000 1.273 145 F HN 0.600 nan 8.300 nan 0.000 0.450 146 G N 3.564 111.570 108.800 -1.322 0.000 2.755 146 G HA2 0.473 4.433 3.960 0.000 0.000 0.297 146 G HA3 0.473 4.433 3.960 0.000 0.000 0.297 146 G C -2.652 171.691 174.900 -0.928 0.000 1.441 146 G CA -0.681 43.944 45.100 -0.792 0.000 0.964 146 G HN 0.635 nan 8.290 nan 0.000 0.540 147 F N 2.727 122.399 119.950 -0.464 0.000 2.426 147 F HA 0.658 5.185 4.527 0.000 0.000 0.348 147 F C -0.351 175.500 175.800 0.086 0.000 1.124 147 F CA -1.418 56.474 58.000 -0.180 0.000 1.008 147 F CB 1.290 40.332 39.000 0.069 0.000 1.139 147 F HN 0.279 nan 8.300 nan 0.000 0.452 148 L N 7.770 128.635 121.223 -0.598 0.000 2.282 148 L HA 0.223 4.563 4.340 0.000 0.000 0.287 148 L C -0.585 176.080 176.870 -0.342 0.000 1.075 148 L CA -0.600 54.013 54.840 -0.378 0.000 0.839 148 L CB 0.021 41.728 42.059 -0.586 0.000 1.219 148 L HN 0.510 nan 8.230 nan 0.000 0.434 149 F N 3.016 122.868 119.950 -0.163 0.000 2.471 149 F HA 0.283 4.810 4.527 0.000 0.000 0.365 149 F C 1.287 177.208 175.800 0.203 0.000 1.095 149 F CA -0.787 57.203 58.000 -0.017 0.000 1.174 149 F CB 1.070 40.179 39.000 0.182 0.000 1.105 149 F HN 0.586 nan 8.300 nan 0.000 0.535 150 A N 7.343 130.216 122.820 0.089 0.000 1.927 150 A HA -0.241 4.079 4.320 0.000 0.000 0.220 150 A C 2.402 179.915 177.584 -0.119 0.000 1.185 150 A CA 1.919 54.045 52.037 0.149 0.000 0.639 150 A CB -0.487 18.556 19.000 0.072 0.000 0.820 150 A HN 0.846 nan 8.150 nan 0.000 0.451 151 R N -0.967 119.115 120.500 -0.697 0.000 2.152 151 R HA -0.057 4.283 4.340 0.000 0.000 0.232 151 R C 1.912 177.986 176.300 -0.377 0.000 1.117 151 R CA 1.351 57.096 56.100 -0.591 0.000 0.981 151 R CB -0.443 29.342 30.300 -0.858 0.000 0.870 151 R HN 0.438 nan 8.270 nan 0.000 0.451 152 V N -0.180 119.516 119.914 -0.363 0.000 2.446 152 V HA -0.123 3.997 4.120 0.000 0.000 0.244 152 V C 1.547 177.406 176.094 -0.391 0.000 1.039 152 V CA 1.499 63.628 62.300 -0.285 0.000 1.045 152 V CB -0.284 31.398 31.823 -0.235 0.000 0.681 152 V HN 0.141 nan 8.190 nan 0.000 0.459 153 F N -0.693 119.124 119.950 -0.221 0.000 2.569 153 F HA 0.136 4.663 4.527 0.000 0.000 0.295 153 F C 1.187 176.699 175.800 -0.481 0.000 1.115 153 F CA 0.608 58.393 58.000 -0.358 0.000 1.450 153 F CB -0.123 38.584 39.000 -0.488 0.000 1.107 153 F HN 0.251 nan 8.300 nan 0.000 0.563 154 H N 0.177 119.279 119.070 0.053 0.000 2.351 154 H HA 0.182 4.738 4.556 0.000 0.000 0.232 154 H C -1.661 173.626 175.328 -0.068 0.000 1.452 154 H CA -1.648 54.404 56.048 0.006 0.000 1.236 154 H CB 0.072 29.843 29.762 0.015 0.000 1.579 154 H HN -0.076 nan 8.280 nan 0.000 0.535 155 P HA -0.173 nan 4.420 nan 0.000 0.222 155 P C 1.393 178.642 177.300 -0.084 0.000 1.147 155 P CA 1.021 64.080 63.100 -0.068 0.000 0.790 155 P CB 0.397 32.052 31.700 -0.076 0.000 0.780 156 A N -0.310 122.505 122.820 -0.007 0.000 2.121 156 A HA -0.058 4.262 4.320 0.000 0.000 0.218 156 A C 2.084 179.651 177.584 -0.029 0.000 1.154 156 A CA 1.003 53.057 52.037 0.027 0.000 0.679 156 A CB -1.136 17.946 19.000 0.137 0.000 0.795 156 A HN 0.025 nan 8.150 nan 0.000 0.458 157 M N 0.320 119.879 119.600 -0.068 0.000 2.700 157 M HA -0.104 4.376 4.480 0.000 0.000 0.249 157 M C 1.984 178.161 176.300 -0.205 0.000 1.082 157 M CA 1.074 56.277 55.300 -0.161 0.000 1.077 157 M CB -0.988 31.500 32.600 -0.187 0.000 1.477 157 M HN 0.707 nan 8.290 nan 0.000 0.529 158 R N -1.066 119.287 120.500 -0.246 0.000 2.189 158 R HA -0.111 4.229 4.340 0.000 0.000 0.223 158 R C 1.215 177.360 176.300 -0.258 0.000 1.092 158 R CA 1.054 56.991 56.100 -0.272 0.000 0.989 158 R CB -0.679 29.427 30.300 -0.323 0.000 0.876 158 R HN 0.404 nan 8.270 nan 0.000 0.457 159 H N 0.554 119.577 119.070 -0.078 0.000 2.547 159 H HA 0.047 4.603 4.556 0.000 0.000 0.272 159 H C 1.846 177.128 175.328 -0.077 0.000 0.989 159 H CA 1.449 57.462 56.048 -0.059 0.000 1.214 159 H CB 0.757 30.499 29.762 -0.033 0.000 1.389 159 H HN 0.367 nan 8.280 nan 0.000 0.577 160 V N -3.997 115.880 119.914 -0.062 0.000 3.305 160 V HA 0.433 4.553 4.120 0.000 0.000 0.247 160 V C 2.443 178.407 176.094 -0.216 0.000 1.426 160 V CA 0.507 62.720 62.300 -0.144 0.000 1.162 160 V CB -0.165 31.478 31.823 -0.300 0.000 0.961 160 V HN 0.165 nan 8.190 nan 0.000 0.449 161 A N 1.843 124.511 122.820 -0.253 0.000 1.915 161 A HA -0.136 4.184 4.320 0.000 0.000 0.220 161 A C 0.596 178.102 177.584 -0.130 0.000 1.198 161 A CA 2.937 54.845 52.037 -0.214 0.000 0.647 161 A CB -2.131 16.761 19.000 -0.181 0.000 0.825 161 A HN 0.605 nan 8.150 nan 0.000 0.456 162 P HA -0.104 nan 4.420 nan 0.000 0.215 162 P C 1.601 178.875 177.300 -0.044 0.000 1.153 162 P CA 1.471 64.536 63.100 -0.058 0.000 0.853 162 P CB -0.140 31.533 31.700 -0.044 0.000 0.788 163 V N -0.173 119.717 119.914 -0.039 0.000 2.427 163 V HA -0.232 3.888 4.120 0.000 0.000 0.248 163 V C 2.419 178.505 176.094 -0.013 0.000 1.051 163 V CA 1.735 64.027 62.300 -0.014 0.000 1.048 163 V CB -1.012 30.817 31.823 0.009 0.000 0.666 163 V HN 0.080 nan 8.190 nan 0.000 0.456 164 R N 0.510 120.986 120.500 -0.039 0.000 2.070 164 R HA -0.127 4.213 4.340 0.000 0.000 0.233 164 R C 2.503 178.786 176.300 -0.029 0.000 1.137 164 R CA 1.613 57.697 56.100 -0.028 0.000 0.945 164 R CB -0.730 29.523 30.300 -0.078 0.000 0.845 164 R HN 0.514 nan 8.270 nan 0.000 0.430 165 A N 1.136 123.931 122.820 -0.043 0.000 1.902 165 A HA -0.222 4.098 4.320 0.000 0.000 0.217 165 A C 2.072 179.642 177.584 -0.022 0.000 1.181 165 A CA 1.687 53.704 52.037 -0.034 0.000 0.623 165 A CB -0.370 18.608 19.000 -0.037 0.000 0.818 165 A HN 0.274 nan 8.150 nan 0.000 0.443 166 E N 0.170 120.358 120.200 -0.019 0.000 2.110 166 E HA -0.101 4.249 4.350 0.000 0.000 0.193 166 E C 1.802 178.397 176.600 -0.007 0.000 0.988 166 E CA 1.129 57.522 56.400 -0.012 0.000 0.804 166 E CB -0.385 29.310 29.700 -0.009 0.000 0.745 166 E HN 0.598 nan 8.360 nan 0.000 0.458 167 L N -0.980 120.240 121.223 -0.004 0.000 2.093 167 L HA 0.026 4.366 4.340 0.000 0.000 0.208 167 L C 1.746 178.612 176.870 -0.006 0.000 1.085 167 L CA 0.822 55.662 54.840 -0.000 0.000 0.755 167 L CB -0.446 41.618 42.059 0.008 0.000 0.904 167 L HN 0.497 nan 8.230 nan 0.000 0.435 168 G N 0.308 109.101 108.800 -0.012 0.000 2.153 168 G HA2 -0.251 3.709 3.960 0.000 0.000 0.252 168 G HA3 -0.251 3.709 3.960 0.000 0.000 0.252 168 G C 0.173 175.058 174.900 -0.024 0.000 0.994 168 G CA 0.417 45.507 45.100 -0.018 0.000 0.698 168 G HN 0.378 nan 8.290 nan 0.000 0.521 169 V N -4.334 115.566 119.914 -0.023 0.000 3.141 169 V HA 0.859 4.979 4.120 0.000 0.000 0.312 169 V C 0.513 176.578 176.094 -0.050 0.000 1.157 169 V CA -1.936 60.343 62.300 -0.035 0.000 1.041 169 V CB 1.428 33.240 31.823 -0.018 0.000 1.071 169 V HN 0.330 nan 8.190 nan 0.000 0.441 170 R N 1.185 121.632 120.500 -0.088 0.000 2.643 170 R HA 0.593 4.933 4.340 0.000 0.000 0.270 170 R C 0.246 176.511 176.300 -0.059 0.000 1.061 170 R CA 0.528 56.552 56.100 -0.126 0.000 1.107 170 R CB 0.890 31.028 30.300 -0.271 0.000 0.999 170 R HN 1.098 nan 8.270 nan 0.000 0.460 171 T N -2.901 111.626 114.554 -0.045 0.000 2.696 171 T HA 0.106 4.456 4.350 0.000 0.000 0.291 171 T C 0.752 175.400 174.700 -0.087 0.000 1.095 171 T CA -0.851 61.235 62.100 -0.023 0.000 1.026 171 T CB 1.008 69.908 68.868 0.053 0.000 1.390 171 T HN 0.226 nan 8.240 nan 0.000 0.513 172 V N 0.062 119.876 119.914 -0.165 0.000 2.720 172 V HA 0.008 4.128 4.120 0.000 0.000 0.256 172 V C 1.899 177.811 176.094 -0.302 0.000 1.082 172 V CA 1.664 63.797 62.300 -0.277 0.000 1.101 172 V CB -1.396 30.218 31.823 -0.349 0.000 0.693 172 V HN 0.768 nan 8.190 nan 0.000 0.479 173 F N 1.035 120.916 119.950 -0.115 0.000 2.333 173 F HA -0.079 4.448 4.527 0.000 0.000 0.300 173 F C 2.021 177.741 175.800 -0.132 0.000 1.083 173 F CA 1.856 59.784 58.000 -0.120 0.000 1.395 173 F CB -0.844 38.093 39.000 -0.104 0.000 1.056 173 F HN 0.322 nan 8.300 nan 0.000 0.529 174 N N 0.087 118.790 118.700 0.004 0.000 2.188 174 N HA -0.116 4.624 4.740 0.000 0.000 0.184 174 N C 1.797 177.259 175.510 -0.080 0.000 1.018 174 N CA 0.999 54.018 53.050 -0.051 0.000 0.858 174 N CB -0.308 38.111 38.487 -0.113 0.000 0.989 174 N HN 0.214 nan 8.380 nan 0.000 0.426 175 L N -0.120 121.005 121.223 -0.163 0.000 2.131 175 L HA 0.004 4.344 4.340 0.000 0.000 0.206 175 L C 1.784 178.568 176.870 -0.144 0.000 1.087 175 L CA 0.665 55.375 54.840 -0.217 0.000 0.767 175 L CB -0.359 41.479 42.059 -0.369 0.000 0.917 175 L HN 0.171 nan 8.230 nan 0.000 0.441 176 L N -0.276 120.874 121.223 -0.122 0.000 2.217 176 L HA -0.045 4.295 4.340 0.000 0.000 0.211 176 L C 2.696 179.550 176.870 -0.027 0.000 1.107 176 L CA 0.917 55.709 54.840 -0.081 0.000 0.783 176 L CB -1.122 40.883 42.059 -0.090 0.000 0.919 176 L HN 0.294 nan 8.230 nan 0.000 0.442 177 G N 1.405 110.194 108.800 -0.020 0.000 2.553 177 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 177 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 177 G C -0.737 174.175 174.900 0.020 0.000 1.195 177 G CA 0.884 45.958 45.100 -0.043 0.000 0.779 177 G HN 0.319 nan 8.290 nan 0.000 0.577 178 P HA 0.056 nan 4.420 nan 0.000 0.223 178 P C 1.529 178.850 177.300 0.034 0.000 1.151 178 P CA 0.657 63.796 63.100 0.065 0.000 0.787 178 P CB -0.028 31.679 31.700 0.010 0.000 0.788 179 L N -1.400 119.806 121.223 -0.029 0.000 2.611 179 L HA 0.129 4.469 4.340 0.000 0.000 0.229 179 L C 0.788 177.652 176.870 -0.010 0.000 1.137 179 L CA 0.632 55.418 54.840 -0.091 0.000 0.901 179 L CB -0.642 41.351 42.059 -0.111 0.000 1.098 179 L HN 0.038 nan 8.230 nan 0.000 0.456 180 T N -4.448 110.154 114.554 0.080 0.000 3.355 180 T HA 0.096 4.446 4.350 0.000 0.000 0.276 180 T C 0.478 175.188 174.700 0.016 0.000 1.003 180 T CA -0.535 61.618 62.100 0.088 0.000 0.943 180 T CB -0.405 68.503 68.868 0.067 0.000 1.158 180 T HN 0.084 nan 8.240 nan 0.000 0.513 181 N N 3.667 122.338 118.700 -0.048 0.000 2.374 181 N HA 0.008 4.748 4.740 0.000 0.000 0.269 181 N C -1.285 174.021 175.510 -0.341 0.000 1.310 181 N CA -0.865 51.993 53.050 -0.319 0.000 0.877 181 N CB 1.296 39.765 38.487 -0.030 0.000 1.096 181 N HN 0.208 nan 8.380 nan 0.000 0.484 182 P HA -0.027 nan 4.420 nan 0.000 0.234 182 P C 0.339 177.368 177.300 -0.452 0.000 1.167 182 P CA 0.589 63.376 63.100 -0.521 0.000 0.763 182 P CB 0.225 31.404 31.700 -0.869 0.000 0.835 183 A N -0.400 122.165 122.820 -0.425 0.000 2.308 183 A HA 0.505 4.825 4.320 0.000 0.000 0.217 183 A C 1.546 179.019 177.584 -0.185 0.000 1.216 183 A CA 0.523 52.378 52.037 -0.304 0.000 0.864 183 A CB -0.878 17.929 19.000 -0.321 0.000 0.902 183 A HN 0.218 nan 8.150 nan 0.000 0.499 184 G N -0.792 107.921 108.800 -0.144 0.000 2.198 184 G HA2 0.097 4.057 3.960 0.000 0.000 0.257 184 G HA3 0.097 4.057 3.960 0.000 0.000 0.257 184 G C 0.457 175.329 174.900 -0.046 0.000 1.042 184 G CA 0.316 45.379 45.100 -0.062 0.000 0.791 184 G HN 1.637 nan 8.290 nan 0.000 0.502 185 A N 0.323 123.091 122.820 -0.086 0.000 2.565 185 A HA 0.429 4.749 4.320 0.000 0.000 0.237 185 A C 1.399 178.947 177.584 -0.059 0.000 1.053 185 A CA 1.167 53.101 52.037 -0.172 0.000 0.755 185 A CB 0.283 19.060 19.000 -0.371 0.000 0.980 185 A HN 0.936 nan 8.150 nan 0.000 0.506 186 D N 0.484 120.830 120.400 -0.088 0.000 2.441 186 D HA 0.353 4.993 4.640 0.000 0.000 0.210 186 D C 0.274 176.607 176.300 0.054 0.000 1.102 186 D CA 0.743 54.780 54.000 0.061 0.000 0.840 186 D CB 0.132 40.951 40.800 0.032 0.000 0.990 186 D HN 0.608 nan 8.370 nan 0.000 0.505 187 A N 0.037 122.745 122.820 -0.187 0.000 2.355 187 A HA 0.657 4.977 4.320 0.000 0.000 0.317 187 A C -1.683 175.674 177.584 -0.378 0.000 1.094 187 A CA -0.602 51.360 52.037 -0.125 0.000 0.764 187 A CB 1.260 20.193 19.000 -0.112 0.000 1.230 187 A HN 0.097 nan 8.150 nan 0.000 0.448 188 Y N -0.052 120.247 120.300 -0.002 0.000 2.588 188 Y HA 0.565 5.115 4.550 0.000 0.000 0.343 188 Y C -0.342 175.573 175.900 0.025 0.000 1.065 188 Y CA -0.928 57.178 58.100 0.010 0.000 1.038 188 Y CB 2.556 41.024 38.460 0.014 0.000 1.297 188 Y HN 0.371 nan 8.280 nan 0.000 0.467 189 V N 3.743 123.773 119.914 0.195 0.000 2.385 189 V HA 0.334 4.454 4.120 0.000 0.000 0.277 189 V C -0.967 175.221 176.094 0.156 0.000 1.012 189 V CA -0.563 61.820 62.300 0.140 0.000 0.832 189 V CB 1.388 33.264 31.823 0.087 0.000 1.028 189 V HN 0.602 nan 8.190 nan 0.000 0.436 190 L N 4.369 125.678 121.223 0.144 0.000 2.280 190 L HA 0.837 5.177 4.340 0.000 0.000 0.287 190 L C 0.720 177.635 176.870 0.076 0.000 1.023 190 L CA -0.189 54.718 54.840 0.110 0.000 0.819 190 L CB 1.121 43.214 42.059 0.057 0.000 1.212 190 L HN 0.685 nan 8.230 nan 0.000 0.420 191 G N 4.175 113.023 108.800 0.079 0.000 2.377 191 G HA2 0.519 4.479 3.960 0.000 0.000 0.299 191 G HA3 0.519 4.479 3.960 0.000 0.000 0.299 191 G C -0.686 174.269 174.900 0.092 0.000 1.150 191 G CA -0.347 44.803 45.100 0.082 0.000 0.847 191 G HN 0.565 nan 8.290 nan 0.000 0.501 192 V N 0.698 120.682 119.914 0.116 0.000 2.864 192 V HA 0.648 4.768 4.120 0.000 0.000 0.314 192 V C 0.861 177.076 176.094 0.201 0.000 1.073 192 V CA -0.988 61.358 62.300 0.078 0.000 0.956 192 V CB 1.546 33.351 31.823 -0.030 0.000 1.023 192 V HN 0.809 nan 8.190 nan 0.000 0.435 193 F N 0.878 120.924 119.950 0.159 0.000 2.558 193 F HA 0.431 4.958 4.527 0.000 0.000 0.298 193 F C 0.863 176.791 175.800 0.212 0.000 1.119 193 F CA 0.384 58.506 58.000 0.203 0.000 1.451 193 F CB -0.603 38.458 39.000 0.103 0.000 1.091 193 F HN 0.726 nan 8.300 nan 0.000 0.563 194 S N -0.530 114.944 115.700 -0.376 0.000 2.541 194 S HA 0.436 4.906 4.470 0.000 0.000 0.271 194 S C -2.250 171.952 174.600 -0.663 0.000 1.133 194 S CA -1.280 56.620 58.200 -0.500 0.000 0.876 194 S CB 1.918 64.999 63.200 -0.198 0.000 1.105 194 S HN -0.148 nan 8.310 nan 0.000 0.470 195 P HA -0.068 nan 4.420 nan 0.000 0.220 195 P C 0.736 177.862 177.300 -0.291 0.000 1.148 195 P CA 1.243 64.088 63.100 -0.425 0.000 0.803 195 P CB 0.029 31.560 31.700 -0.282 0.000 0.782 196 E N -0.869 119.121 120.200 -0.349 0.000 2.265 196 E HA -0.150 4.200 4.350 0.000 0.000 0.196 196 E C 1.479 177.766 176.600 -0.522 0.000 0.996 196 E CA 1.139 57.283 56.400 -0.428 0.000 0.832 196 E CB -0.961 28.422 29.700 -0.528 0.000 0.756 196 E HN 0.490 nan 8.360 nan 0.000 0.491 197 W N -0.263 120.856 121.300 -0.302 0.000 3.197 197 W HA 0.230 4.890 4.660 0.000 0.000 0.274 197 W C 1.303 177.704 176.519 -0.197 0.000 1.297 197 W CA -0.328 56.852 57.345 -0.275 0.000 1.662 197 W CB 0.064 29.267 29.460 -0.429 0.000 1.106 197 W HN 0.037 nan 8.180 nan 0.000 0.663 198 L N 0.254 121.469 121.223 -0.013 0.000 1.970 198 L HA -0.258 4.082 4.340 0.000 0.000 0.212 198 L C 2.704 179.569 176.870 -0.009 0.000 1.071 198 L CA 1.738 56.569 54.840 -0.015 0.000 0.751 198 L CB -1.253 40.775 42.059 -0.052 0.000 0.889 198 L HN 0.015 nan 8.230 nan 0.000 0.432 199 A N 0.015 122.812 122.820 -0.038 0.000 1.877 199 A HA -0.114 4.206 4.320 0.000 0.000 0.216 199 A C 0.050 177.635 177.584 0.002 0.000 1.186 199 A CA 1.740 53.761 52.037 -0.028 0.000 0.620 199 A CB -1.848 17.122 19.000 -0.050 0.000 0.822 199 A HN 0.285 nan 8.150 nan 0.000 0.443 200 P HA -0.152 nan 4.420 nan 0.000 0.215 200 P C 1.643 179.002 177.300 0.098 0.000 1.153 200 P CA 1.196 64.342 63.100 0.076 0.000 0.853 200 P CB -0.120 31.664 31.700 0.140 0.000 0.788 201 M N -1.309 118.359 119.600 0.114 0.000 2.254 201 M HA -0.011 4.469 4.480 0.000 0.000 0.265 201 M C 2.055 178.356 176.300 0.001 0.000 1.066 201 M CA 1.449 56.775 55.300 0.045 0.000 1.123 201 M CB -1.725 30.892 32.600 0.030 0.000 1.388 201 M HN -0.105 nan 8.290 nan 0.000 0.425 202 A N -0.187 122.638 122.820 0.009 0.000 1.930 202 A HA -0.174 4.146 4.320 0.000 0.000 0.217 202 A C 2.147 179.733 177.584 0.003 0.000 1.175 202 A CA 1.742 53.779 52.037 0.000 0.000 0.627 202 A CB -0.649 18.353 19.000 0.003 0.000 0.815 202 A HN 0.567 nan 8.150 nan 0.000 0.443 203 E N -0.096 120.111 120.200 0.012 0.000 2.106 203 E HA -0.080 4.270 4.350 0.000 0.000 0.192 203 E C 2.121 178.728 176.600 0.012 0.000 0.984 203 E CA 0.864 57.274 56.400 0.017 0.000 0.806 203 E CB -0.224 29.492 29.700 0.027 0.000 0.750 203 E HN 0.529 nan 8.360 nan 0.000 0.458 204 A N 1.186 124.009 122.820 0.005 0.000 1.902 204 A HA -0.161 4.159 4.320 0.000 0.000 0.217 204 A C 2.194 179.754 177.584 -0.041 0.000 1.181 204 A CA 1.050 53.079 52.037 -0.013 0.000 0.623 204 A CB -0.656 18.328 19.000 -0.027 0.000 0.818 204 A HN 0.314 nan 8.150 nan 0.000 0.443 205 L N -1.017 120.168 121.223 -0.064 0.000 2.017 205 L HA -0.216 4.124 4.340 0.000 0.000 0.208 205 L C 2.707 179.556 176.870 -0.035 0.000 1.073 205 L CA 1.948 56.730 54.840 -0.096 0.000 0.745 205 L CB -0.455 41.535 42.059 -0.114 0.000 0.894 205 L HN 0.614 nan 8.230 nan 0.000 0.432 206 E N 0.236 120.431 120.200 -0.008 0.000 2.077 206 E HA -0.247 4.103 4.350 0.000 0.000 0.193 206 E C 2.317 178.924 176.600 0.013 0.000 0.989 206 E CA 1.126 57.532 56.400 0.011 0.000 0.800 206 E CB 0.093 29.803 29.700 0.018 0.000 0.746 206 E HN 0.312 nan 8.360 nan 0.000 0.452 207 R N -0.110 120.397 120.500 0.011 0.000 2.127 207 R HA -0.087 4.253 4.340 0.000 0.000 0.238 207 R C 2.219 178.529 176.300 0.017 0.000 1.134 207 R CA 1.079 57.191 56.100 0.019 0.000 0.975 207 R CB -0.172 30.144 30.300 0.027 0.000 0.865 207 R HN 0.272 nan 8.270 nan 0.000 0.447 208 L N -0.395 120.830 121.223 0.005 0.000 2.599 208 L HA 0.132 4.472 4.340 0.000 0.000 0.230 208 L C 1.031 177.914 176.870 0.021 0.000 1.141 208 L CA 0.399 55.244 54.840 0.008 0.000 0.877 208 L CB 0.141 42.188 42.059 -0.020 0.000 1.009 208 L HN 0.464 nan 8.230 nan 0.000 0.447 209 G N 0.012 108.826 108.800 0.023 0.000 2.143 209 G HA2 -0.238 3.722 3.960 0.000 0.000 0.248 209 G HA3 -0.238 3.722 3.960 0.000 0.000 0.248 209 G C 0.254 175.184 174.900 0.050 0.000 0.991 209 G CA 0.127 45.246 45.100 0.033 0.000 0.689 209 G HN 0.511 nan 8.290 nan 0.000 0.522 210 A N -0.411 122.443 122.820 0.057 0.000 2.261 210 A HA 1.019 5.339 4.320 0.000 0.000 0.323 210 A C 0.534 178.176 177.584 0.097 0.000 1.107 210 A CA 0.172 52.278 52.037 0.115 0.000 0.883 210 A CB 0.841 19.931 19.000 0.149 0.000 1.251 210 A HN 1.322 nan 8.150 nan 0.000 0.502 211 R N -0.926 119.657 120.500 0.139 0.000 2.855 211 R HA 0.865 5.205 4.340 0.000 0.000 0.266 211 R C 0.098 176.478 176.300 0.133 0.000 1.034 211 R CA -0.271 55.885 56.100 0.093 0.000 0.944 211 R CB 1.150 31.475 30.300 0.042 0.000 1.219 211 R HN 2.166 nan 8.270 nan 0.000 0.474 212 G N -0.039 108.816 108.800 0.091 0.000 2.280 212 G HA2 0.171 4.131 3.960 0.000 0.000 0.277 212 G HA3 0.171 4.131 3.960 0.000 0.000 0.277 212 G C -2.079 172.900 174.900 0.131 0.000 1.288 212 G CA -0.810 44.358 45.100 0.113 0.000 1.075 212 G HN 0.391 nan 8.290 nan 0.000 0.480 213 L N -0.069 121.241 121.223 0.145 0.000 2.365 213 L HA 0.743 5.083 4.340 0.000 0.000 0.273 213 L C 0.244 177.163 176.870 0.081 0.000 1.000 213 L CA -0.864 54.046 54.840 0.118 0.000 0.819 213 L CB 1.960 44.110 42.059 0.152 0.000 1.284 213 L HN 0.582 nan 8.230 nan 0.000 0.418 214 V N 3.447 123.381 119.914 0.032 0.000 2.435 214 V HA 0.762 4.882 4.120 0.000 0.000 0.290 214 V C -0.239 175.861 176.094 0.009 0.000 1.030 214 V CA -0.708 61.606 62.300 0.024 0.000 0.881 214 V CB 1.835 33.662 31.823 0.007 0.000 0.983 214 V HN 0.565 nan 8.190 nan 0.000 0.445 215 V N 2.004 121.941 119.914 0.038 0.000 3.040 215 V HA 0.845 4.965 4.120 0.000 0.000 0.312 215 V C -1.107 175.050 176.094 0.105 0.000 1.115 215 V CA -0.742 61.584 62.300 0.044 0.000 0.998 215 V CB 2.101 33.947 31.823 0.038 0.000 1.042 215 V HN 0.993 nan 8.190 nan 0.000 0.433 216 H N 0.973 120.038 119.070 -0.009 0.000 3.042 216 H HA 0.735 5.291 4.556 0.000 0.000 0.345 216 H C -0.310 175.024 175.328 0.010 0.000 1.052 216 H CA 0.398 56.449 56.048 0.004 0.000 1.311 216 H CB 1.961 31.718 29.762 -0.009 0.000 1.810 216 H HN 1.264 nan 8.280 nan 0.000 0.505 217 G N 3.347 111.835 108.800 -0.521 0.000 2.866 217 G HA2 0.354 4.314 3.960 0.000 0.000 0.318 217 G HA3 0.354 4.314 3.960 0.000 0.000 0.318 217 G C -0.760 173.942 174.900 -0.329 0.000 1.336 217 G CA -0.738 44.181 45.100 -0.301 0.000 1.067 217 G HN 0.873 nan 8.290 nan 0.000 0.515 218 E N 0.883 120.959 120.200 -0.207 0.000 2.238 218 E HA -0.299 4.051 4.350 0.000 0.000 0.219 218 E C 1.462 178.028 176.600 -0.058 0.000 1.275 218 E CA 0.882 57.243 56.400 -0.065 0.000 0.714 218 E CB -1.197 28.486 29.700 -0.027 0.000 1.154 218 E HN 1.643 nan 8.360 nan 0.000 0.363 219 G N -1.571 107.172 108.800 -0.096 0.000 2.232 219 G HA2 -0.227 3.733 3.960 0.000 0.000 0.226 219 G HA3 -0.227 3.733 3.960 0.000 0.000 0.226 219 G C 0.272 175.186 174.900 0.023 0.000 0.996 219 G CA 0.053 45.211 45.100 0.097 0.000 0.626 219 G HN 0.965 nan 8.290 nan 0.000 0.509 220 A N 0.766 123.468 122.820 -0.197 0.000 2.306 220 A HA 0.618 4.938 4.320 0.000 0.000 0.330 220 A C 0.596 178.125 177.584 -0.093 0.000 1.146 220 A CA 0.461 52.450 52.037 -0.080 0.000 0.827 220 A CB 0.675 19.637 19.000 -0.063 0.000 1.178 220 A HN 0.690 nan 8.150 nan 0.000 0.490 221 D N 0.655 121.090 120.400 0.059 0.000 2.870 221 D HA 0.126 4.766 4.640 0.000 0.000 0.241 221 D C -0.031 176.302 176.300 0.055 0.000 1.234 221 D CA 0.042 54.107 54.000 0.108 0.000 0.844 221 D CB -0.376 40.523 40.800 0.165 0.000 1.051 221 D HN 0.705 nan 8.370 nan 0.000 0.469 222 E N -1.032 119.169 120.200 0.002 0.000 2.423 222 E HA 0.383 4.733 4.350 0.000 0.000 0.280 222 E C -1.099 175.489 176.600 -0.020 0.000 1.030 222 E CA -1.084 55.321 56.400 0.008 0.000 0.812 222 E CB 0.635 30.344 29.700 0.015 0.000 1.313 222 E HN -0.051 nan 8.360 nan 0.000 0.456 223 L N 1.827 123.051 121.223 0.002 0.000 2.410 223 L HA 0.381 4.721 4.340 0.000 0.000 0.273 223 L C 0.231 177.096 176.870 -0.008 0.000 1.152 223 L CA -0.398 54.441 54.840 -0.001 0.000 0.855 223 L CB 0.821 42.894 42.059 0.023 0.000 1.129 223 L HN 0.537 nan 8.230 nan 0.000 0.463 224 V N 1.578 121.480 119.914 -0.019 0.000 3.181 224 V HA 0.456 4.576 4.120 0.000 0.000 0.314 224 V C 0.014 176.106 176.094 -0.004 0.000 1.173 224 V CA -1.077 61.213 62.300 -0.016 0.000 1.052 224 V CB 1.926 33.730 31.823 -0.033 0.000 1.123 224 V HN 0.554 nan 8.190 nan 0.000 0.454 225 L N 2.020 123.242 121.223 -0.002 0.000 2.648 225 L HA 0.718 5.058 4.340 0.000 0.000 0.238 225 L C 0.693 177.565 176.870 0.004 0.000 1.316 225 L CA 0.611 55.453 54.840 0.004 0.000 1.241 225 L CB -0.789 41.273 42.059 0.005 0.000 1.499 225 L HN 1.062 nan 8.230 nan 0.000 0.411 226 G N -0.381 108.421 108.800 0.004 0.000 2.772 226 G HA2 0.178 4.138 3.960 0.000 0.000 0.284 226 G HA3 0.178 4.138 3.960 0.000 0.000 0.284 226 G C -1.305 173.602 174.900 0.012 0.000 1.217 226 G CA -0.461 44.642 45.100 0.006 0.000 0.831 226 G HN 0.132 nan 8.290 nan 0.000 0.523 227 E N 1.394 121.603 120.200 0.015 0.000 1.932 227 E HA 0.153 4.503 4.350 0.000 0.000 0.275 227 E C -0.339 176.276 176.600 0.024 0.000 1.159 227 E CA -0.340 56.074 56.400 0.025 0.000 0.905 227 E CB -0.159 29.558 29.700 0.028 0.000 1.059 227 E HN 0.297 nan 8.360 nan 0.000 0.400 228 N N 3.469 122.184 118.700 0.026 0.000 2.530 228 N HA 0.213 4.953 4.740 0.000 0.000 0.277 228 N C -0.362 175.166 175.510 0.030 0.000 1.168 228 N CA -0.233 52.828 53.050 0.019 0.000 0.979 228 N CB 0.959 39.457 38.487 0.018 0.000 1.141 228 N HN 0.303 nan 8.380 nan 0.000 0.459 229 R N 1.075 121.596 120.500 0.035 0.000 2.393 229 R HA 0.556 4.896 4.340 0.000 0.000 0.310 229 R C -0.821 175.444 176.300 -0.058 0.000 0.968 229 R CA -0.672 55.432 56.100 0.007 0.000 0.867 229 R CB 1.349 31.681 30.300 0.054 0.000 1.124 229 R HN 0.284 nan 8.270 nan 0.000 0.450 230 V N 2.545 122.337 119.914 -0.204 0.000 2.925 230 V HA 0.483 4.603 4.120 0.000 0.000 0.311 230 V C -0.605 175.236 176.094 -0.421 0.000 1.104 230 V CA -0.875 61.217 62.300 -0.347 0.000 0.954 230 V CB 2.815 34.265 31.823 -0.622 0.000 1.022 230 V HN 0.388 nan 8.190 nan 0.000 0.427 231 V N 2.702 122.460 119.914 -0.261 0.000 2.482 231 V HA 0.418 4.538 4.120 0.000 0.000 0.295 231 V C -0.306 175.736 176.094 -0.087 0.000 1.026 231 V CA -0.512 61.687 62.300 -0.167 0.000 0.856 231 V CB 1.683 33.462 31.823 -0.073 0.000 1.001 231 V HN 0.962 nan 8.190 nan 0.000 0.424 232 E N 3.804 123.994 120.200 -0.016 0.000 2.174 232 E HA 0.465 4.815 4.350 0.000 0.000 0.282 232 E C -0.665 176.000 176.600 0.109 0.000 0.992 232 E CA -0.599 55.875 56.400 0.123 0.000 0.803 232 E CB 1.788 31.688 29.700 0.333 0.000 1.090 232 E HN 0.504 nan 8.360 nan 0.000 0.396 233 V N 4.668 124.635 119.914 0.088 0.000 2.509 233 V HA 0.117 4.237 4.120 0.000 0.000 0.297 233 V C 1.404 177.543 176.094 0.076 0.000 1.014 233 V CA 1.554 63.894 62.300 0.067 0.000 1.127 233 V CB 0.451 32.307 31.823 0.056 0.000 0.925 233 V HN 1.092 nan 8.190 nan 0.000 0.480 234 G N 3.808 112.647 108.800 0.065 0.000 2.148 234 G HA2 -0.264 3.696 3.960 0.000 0.000 0.254 234 G HA3 -0.264 3.696 3.960 0.000 0.000 0.254 234 G C 0.975 175.926 174.900 0.085 0.000 0.981 234 G CA 0.576 45.715 45.100 0.064 0.000 0.670 234 G HN 0.701 nan 8.290 nan 0.000 0.528 235 K N -0.204 120.264 120.400 0.113 0.000 2.567 235 K HA 0.483 4.803 4.320 0.000 0.000 0.199 235 K C 1.137 177.826 176.600 0.147 0.000 1.412 235 K CA 2.051 58.425 56.287 0.144 0.000 1.020 235 K CB 0.300 32.935 32.500 0.225 0.000 1.487 235 K HN 1.839 nan 8.250 nan 0.000 0.531 236 G N 0.672 109.558 108.800 0.144 0.000 2.373 236 G HA2 0.174 4.134 3.960 0.000 0.000 0.634 236 G HA3 0.174 4.134 3.960 0.000 0.000 0.634 236 G C -1.199 173.774 174.900 0.121 0.000 1.267 236 G CA -0.233 44.936 45.100 0.115 0.000 1.008 236 G HN 0.430 nan 8.290 nan 0.000 0.497 237 A N -0.486 122.380 122.820 0.077 0.000 2.302 237 A HA 1.065 5.385 4.320 0.000 0.000 0.285 237 A C -0.315 177.353 177.584 0.141 0.000 1.105 237 A CA 0.654 52.690 52.037 -0.001 0.000 0.816 237 A CB 0.754 19.744 19.000 -0.018 0.000 1.067 237 A HN 2.324 nan 8.150 nan 0.000 0.489 238 Y N -3.000 117.314 120.300 0.023 0.000 2.732 238 Y HA 0.643 5.193 4.550 0.000 0.000 0.342 238 Y C -0.444 175.468 175.900 0.019 0.000 1.203 238 Y CA -0.923 57.187 58.100 0.017 0.000 1.092 238 Y CB 0.484 38.952 38.460 0.013 0.000 1.345 238 Y HN 1.017 nan 8.280 nan 0.000 0.458 239 A N 1.674 124.638 122.820 0.240 0.000 2.303 239 A HA 0.792 5.112 4.320 0.000 0.000 0.317 239 A C -1.740 175.981 177.584 0.228 0.000 1.149 239 A CA -0.686 51.439 52.037 0.147 0.000 0.822 239 A CB 1.344 20.399 19.000 0.093 0.000 1.131 239 A HN 1.032 nan 8.150 nan 0.000 0.493 240 L N 2.094 123.411 121.223 0.155 0.000 2.404 240 L HA 0.631 4.971 4.340 0.000 0.000 0.272 240 L C 0.183 177.100 176.870 0.077 0.000 0.980 240 L CA 0.209 55.139 54.840 0.149 0.000 0.836 240 L CB 1.926 44.098 42.059 0.187 0.000 1.238 240 L HN 0.881 nan 8.230 nan 0.000 0.408 241 T N 1.717 116.305 114.554 0.055 0.000 2.940 241 T HA 0.611 4.961 4.350 0.000 0.000 0.288 241 T C -2.238 172.478 174.700 0.026 0.000 1.033 241 T CA -1.945 60.176 62.100 0.035 0.000 1.033 241 T CB 1.672 70.556 68.868 0.027 0.000 1.079 241 T HN 0.383 nan 8.240 nan 0.000 0.496 242 P HA -0.138 nan 4.420 nan 0.000 0.215 242 P C 1.723 179.030 177.300 0.012 0.000 1.153 242 P CA 1.023 64.133 63.100 0.017 0.000 0.853 242 P CB 0.050 31.758 31.700 0.014 0.000 0.788 243 E N 0.799 121.004 120.200 0.009 0.000 2.209 243 E HA -0.237 4.113 4.350 0.000 0.000 0.196 243 E C 1.450 178.050 176.600 0.000 0.000 0.993 243 E CA 1.364 57.766 56.400 0.005 0.000 0.819 243 E CB -1.071 28.632 29.700 0.004 0.000 0.745 243 E HN 0.406 nan 8.360 nan 0.000 0.477 244 E N 0.749 120.949 120.200 0.000 0.000 2.268 244 E HA -0.076 4.274 4.350 0.000 0.000 0.195 244 E C 1.606 178.197 176.600 -0.016 0.000 0.995 244 E CA 1.307 57.701 56.400 -0.011 0.000 0.836 244 E CB 0.207 29.899 29.700 -0.012 0.000 0.763 244 E HN 0.340 nan 8.360 nan 0.000 0.491 245 V N -3.773 116.138 119.914 -0.005 0.000 3.070 245 V HA 0.527 4.647 4.120 0.000 0.000 0.345 245 V C 0.845 176.941 176.094 0.004 0.000 1.403 245 V CA 0.018 62.316 62.300 -0.003 0.000 1.155 245 V CB 0.062 31.889 31.823 0.006 0.000 1.140 245 V HN 0.182 nan 8.190 nan 0.000 0.505 246 G N 0.935 109.736 108.800 0.002 0.000 2.143 246 G HA2 -0.225 3.735 3.960 0.000 0.000 0.248 246 G HA3 -0.225 3.735 3.960 0.000 0.000 0.248 246 G C -0.197 174.708 174.900 0.007 0.000 0.991 246 G CA 0.723 45.825 45.100 0.003 0.000 0.689 246 G HN 0.618 nan 8.290 nan 0.000 0.522 247 L N -0.966 120.262 121.223 0.009 0.000 2.313 247 L HA 0.652 4.992 4.340 0.000 0.000 0.268 247 L C 0.616 177.491 176.870 0.009 0.000 1.010 247 L CA -1.181 53.666 54.840 0.011 0.000 0.814 247 L CB 1.491 43.560 42.059 0.015 0.000 1.304 247 L HN -0.067 nan 8.230 nan 0.000 0.441 248 K N 1.075 121.480 120.400 0.008 0.000 2.110 248 K HA 0.470 4.790 4.320 0.000 0.000 0.263 248 K C -0.648 175.956 176.600 0.007 0.000 0.975 248 K CA -0.820 55.471 56.287 0.006 0.000 0.895 248 K CB 1.588 34.090 32.500 0.005 0.000 1.060 248 K HN 0.464 nan 8.250 nan 0.000 0.448 249 R N 0.638 121.142 120.500 0.006 0.000 2.679 249 R HA 0.438 4.778 4.340 0.000 0.000 0.269 249 R C -0.395 175.907 176.300 0.005 0.000 1.076 249 R CA -0.271 55.833 56.100 0.006 0.000 1.160 249 R CB 0.938 31.242 30.300 0.007 0.000 1.054 249 R HN 0.650 nan 8.270 nan 0.000 0.507 250 A N 2.487 125.309 122.820 0.004 0.000 2.589 250 A HA 0.492 4.812 4.320 0.000 0.000 0.296 250 A C -2.593 174.993 177.584 0.002 0.000 1.062 250 A CA -1.479 50.560 52.037 0.003 0.000 0.686 250 A CB 1.596 20.598 19.000 0.002 0.000 1.282 250 A HN 0.511 nan 8.150 nan 0.000 0.404 251 P HA 0.179 nan 4.420 nan 0.000 0.269 251 P C 0.864 178.164 177.300 0.001 0.000 1.215 251 P CA -0.295 62.807 63.100 0.002 0.000 0.780 251 P CB 0.696 32.398 31.700 0.003 0.000 0.898 252 L N 1.032 122.256 121.223 0.000 0.000 2.081 252 L HA -0.242 4.098 4.340 0.000 0.000 0.212 252 L C 2.176 179.046 176.870 0.001 0.000 1.080 252 L CA 1.883 56.722 54.840 -0.001 0.000 0.754 252 L CB -0.656 41.403 42.059 -0.001 0.000 0.893 252 L HN 0.381 nan 8.230 nan 0.000 0.433 253 E N 0.138 120.339 120.200 0.003 0.000 2.204 253 E HA -0.171 4.179 4.350 0.000 0.000 0.195 253 E C 2.106 178.707 176.600 0.001 0.000 0.990 253 E CA 1.121 57.523 56.400 0.003 0.000 0.821 253 E CB -0.344 29.358 29.700 0.004 0.000 0.750 253 E HN 0.455 nan 8.360 nan 0.000 0.477 254 A N 0.256 123.077 122.820 0.001 0.000 2.121 254 A HA -0.040 4.280 4.320 0.000 0.000 0.218 254 A C 1.720 179.303 177.584 -0.001 0.000 1.154 254 A CA 0.747 52.784 52.037 -0.000 0.000 0.679 254 A CB -0.271 18.729 19.000 -0.000 0.000 0.795 254 A HN 0.231 nan 8.150 nan 0.000 0.458 255 L N -1.130 120.093 121.223 -0.000 0.000 2.640 255 L HA 0.155 4.495 4.340 0.000 0.000 0.230 255 L C 0.553 177.423 176.870 0.001 0.000 1.123 255 L CA -0.248 54.591 54.840 -0.000 0.000 0.900 255 L CB -0.075 41.983 42.059 -0.001 0.000 1.146 255 L HN 0.107 nan 8.230 nan 0.000 0.484 256 K N 1.362 121.763 120.400 0.001 0.000 2.322 256 K HA 0.345 4.665 4.320 0.000 0.000 0.283 256 K C 0.635 177.236 176.600 0.001 0.000 1.042 256 K CA 0.063 56.351 56.287 0.002 0.000 0.958 256 K CB 1.214 33.716 32.500 0.003 0.000 0.984 256 K HN 0.036 nan 8.250 nan 0.000 0.473 257 G N 1.824 110.625 108.800 0.001 0.000 3.086 257 G HA2 0.511 4.471 3.960 0.000 0.000 0.159 257 G HA3 0.511 4.471 3.960 0.000 0.000 0.159 257 G C 0.051 174.950 174.900 -0.001 0.000 1.654 257 G CA -0.033 45.066 45.100 -0.001 0.000 1.078 257 G HN 0.783 nan 8.290 nan 0.000 0.558 258 G N -1.976 106.824 108.800 -0.001 0.000 2.793 258 G HA2 0.565 4.525 3.960 0.000 0.000 0.248 258 G HA3 0.565 4.525 3.960 0.000 0.000 0.248 258 G C 0.144 175.043 174.900 -0.001 0.000 1.198 258 G CA 0.282 45.382 45.100 -0.001 0.000 0.865 258 G HN 0.970 nan 8.290 nan 0.000 0.534 259 G N -0.342 108.457 108.800 -0.001 0.000 2.653 259 G HA2 0.448 4.408 3.960 0.000 0.000 0.265 259 G HA3 0.448 4.408 3.960 0.000 0.000 0.265 259 G C -1.249 173.649 174.900 -0.002 0.000 1.237 259 G CA -0.260 44.839 45.100 -0.001 0.000 0.946 259 G HN 0.305 nan 8.290 nan 0.000 0.522 260 P HA -0.071 nan 4.420 nan 0.000 0.215 260 P C 1.425 178.721 177.300 -0.007 0.000 1.153 260 P CA 1.288 64.385 63.100 -0.005 0.000 0.853 260 P CB 0.232 31.929 31.700 -0.004 0.000 0.788 261 E N -0.558 119.638 120.200 -0.006 0.000 2.106 261 E HA -0.174 4.176 4.350 0.000 0.000 0.192 261 E C 2.003 178.599 176.600 -0.006 0.000 0.984 261 E CA 0.944 57.341 56.400 -0.006 0.000 0.806 261 E CB -0.776 28.921 29.700 -0.004 0.000 0.750 261 E HN 0.411 nan 8.360 nan 0.000 0.458 262 E N 0.488 120.684 120.200 -0.006 0.000 2.072 262 E HA -0.185 4.165 4.350 0.000 0.000 0.191 262 E C 1.377 177.971 176.600 -0.009 0.000 0.985 262 E CA 1.025 57.421 56.400 -0.007 0.000 0.801 262 E CB 0.051 29.747 29.700 -0.006 0.000 0.750 262 E HN 0.125 nan 8.360 nan 0.000 0.452 263 N N 0.585 119.280 118.700 -0.008 0.000 2.166 263 N HA -0.129 4.611 4.740 0.000 0.000 0.186 263 N C 1.523 177.027 175.510 -0.011 0.000 1.019 263 N CA 1.255 54.299 53.050 -0.009 0.000 0.856 263 N CB -0.426 38.056 38.487 -0.009 0.000 0.993 263 N HN 0.243 nan 8.380 nan 0.000 0.426 264 A N 0.750 123.564 122.820 -0.010 0.000 1.902 264 A HA 0.043 4.363 4.320 0.000 0.000 0.217 264 A C 2.327 179.909 177.584 -0.004 0.000 1.181 264 A CA 1.847 53.881 52.037 -0.006 0.000 0.623 264 A CB -0.918 18.079 19.000 -0.004 0.000 0.818 264 A HN 0.299 nan 8.150 nan 0.000 0.443 265 A N -0.183 122.631 122.820 -0.009 0.000 1.877 265 A HA -0.060 4.260 4.320 0.000 0.000 0.216 265 A C 2.178 179.745 177.584 -0.028 0.000 1.186 265 A CA 1.556 53.582 52.037 -0.017 0.000 0.620 265 A CB -0.651 18.338 19.000 -0.017 0.000 0.822 265 A HN 0.471 nan 8.150 nan 0.000 0.443 266 L N -0.834 120.376 121.223 -0.023 0.000 2.083 266 L HA -0.179 4.161 4.340 0.000 0.000 0.209 266 L C 3.098 179.951 176.870 -0.029 0.000 1.083 266 L CA 0.966 55.790 54.840 -0.026 0.000 0.752 266 L CB -0.578 41.471 42.059 -0.018 0.000 0.899 266 L HN 0.444 nan 8.230 nan 0.000 0.433 267 A N 0.336 123.145 122.820 -0.019 0.000 1.877 267 A HA -0.220 4.100 4.320 0.000 0.000 0.216 267 A C 2.388 179.964 177.584 -0.013 0.000 1.186 267 A CA 1.591 53.621 52.037 -0.012 0.000 0.620 267 A CB -0.468 18.530 19.000 -0.004 0.000 0.822 267 A HN 0.322 nan 8.150 nan 0.000 0.443 268 R N -0.693 119.794 120.500 -0.022 0.000 2.080 268 R HA -0.127 4.213 4.340 0.000 0.000 0.236 268 R C 2.482 178.650 176.300 -0.221 0.000 1.137 268 R CA 1.755 57.796 56.100 -0.097 0.000 0.943 268 R CB -0.374 29.869 30.300 -0.094 0.000 0.846 268 R HN 0.494 nan 8.270 nan 0.000 0.431 269 R N 0.561 120.973 120.500 -0.147 0.000 2.105 269 R HA -0.117 4.223 4.340 0.000 0.000 0.239 269 R C 2.379 178.615 176.300 -0.107 0.000 1.135 269 R CA 1.249 57.267 56.100 -0.137 0.000 0.967 269 R CB -0.432 29.816 30.300 -0.086 0.000 0.861 269 R HN 0.217 nan 8.270 nan 0.000 0.442 270 L N 0.427 121.607 121.223 -0.072 0.000 2.005 270 L HA -0.168 4.172 4.340 0.000 0.000 0.207 270 L C 2.336 179.182 176.870 -0.040 0.000 1.072 270 L CA 1.212 56.026 54.840 -0.045 0.000 0.744 270 L CB -0.361 41.682 42.059 -0.026 0.000 0.895 270 L HN 0.176 nan 8.230 nan 0.000 0.433 271 L N -0.457 120.746 121.223 -0.033 0.000 2.131 271 L HA -0.203 4.137 4.340 0.000 0.000 0.210 271 L C 2.302 179.171 176.870 -0.003 0.000 1.092 271 L CA 1.223 56.074 54.840 0.019 0.000 0.759 271 L CB -0.442 41.694 42.059 0.129 0.000 0.903 271 L HN 0.227 nan 8.230 nan 0.000 0.435 272 K N 0.035 120.344 120.400 -0.151 0.000 2.432 272 K HA 0.069 4.390 4.320 0.000 0.000 0.196 272 K C 1.197 177.748 176.600 -0.081 0.000 1.038 272 K CA 0.596 56.773 56.287 -0.184 0.000 0.986 272 K CB 0.086 32.365 32.500 -0.369 0.000 0.782 272 K HN 0.402 nan 8.250 nan 0.000 0.485 273 G N 1.816 110.582 108.800 -0.058 0.000 2.137 273 G HA2 -0.281 3.679 3.960 0.000 0.000 0.237 273 G HA3 -0.281 3.679 3.960 0.000 0.000 0.237 273 G C 0.393 175.269 174.900 -0.041 0.000 1.002 273 G CA 0.524 45.605 45.100 -0.032 0.000 0.702 273 G HN 0.451 nan 8.290 nan 0.000 0.515 274 E N -0.514 119.649 120.200 -0.062 0.000 2.127 274 E HA 0.103 4.453 4.350 0.000 0.000 0.191 274 E C 1.059 177.634 176.600 -0.043 0.000 0.964 274 E CA 0.413 56.779 56.400 -0.057 0.000 0.832 274 E CB 0.172 29.824 29.700 -0.080 0.000 0.790 274 E HN 0.458 nan 8.360 nan 0.000 0.465 275 E N 1.590 121.764 120.200 -0.044 0.000 2.324 275 E HA -0.025 4.325 4.350 0.000 0.000 0.271 275 E C 0.084 176.671 176.600 -0.021 0.000 1.028 275 E CA 0.253 56.634 56.400 -0.031 0.000 0.890 275 E CB 0.548 30.229 29.700 -0.032 0.000 1.004 275 E HN -0.159 nan 8.360 nan 0.000 0.431 276 K N 3.112 123.502 120.400 -0.016 0.000 2.447 276 K HA 0.256 4.576 4.320 0.000 0.000 0.205 276 K C 0.585 177.181 176.600 -0.006 0.000 1.059 276 K CA 0.191 56.473 56.287 -0.009 0.000 1.065 276 K CB 1.216 33.711 32.500 -0.009 0.000 0.885 276 K HN 0.575 nan 8.250 nan 0.000 0.545 277 G N 1.952 110.748 108.800 -0.007 0.000 2.504 277 G HA2 0.127 4.087 3.960 0.000 0.000 0.257 277 G HA3 0.127 4.087 3.960 0.000 0.000 0.257 277 G C -1.747 173.152 174.900 -0.002 0.000 1.451 277 G CA -0.736 44.361 45.100 -0.004 0.000 1.059 277 G HN -0.170 nan 8.290 nan 0.000 0.550 278 P HA -0.093 nan 4.420 nan 0.000 0.216 278 P C 2.149 179.450 177.300 0.001 0.000 1.150 278 P CA 0.903 64.004 63.100 0.001 0.000 0.843 278 P CB 0.040 31.741 31.700 0.000 0.000 0.787 279 L N -1.311 119.911 121.223 -0.001 0.000 2.042 279 L HA -0.217 4.123 4.340 0.000 0.000 0.210 279 L C 2.432 179.302 176.870 -0.000 0.000 1.076 279 L CA 1.681 56.520 54.840 -0.002 0.000 0.749 279 L CB -1.093 40.962 42.059 -0.006 0.000 0.893 279 L HN -0.018 nan 8.230 nan 0.000 0.432 280 A N -0.330 122.490 122.820 -0.001 0.000 1.898 280 A HA -0.208 4.112 4.320 0.000 0.000 0.216 280 A C 1.920 179.510 177.584 0.010 0.000 1.181 280 A CA 1.806 53.844 52.037 0.002 0.000 0.620 280 A CB -0.433 18.567 19.000 0.000 0.000 0.819 280 A HN 0.360 nan 8.150 nan 0.000 0.442 281 D N 0.233 120.639 120.400 0.010 0.000 2.117 281 D HA -0.050 4.590 4.640 0.000 0.000 0.198 281 D C 2.209 178.519 176.300 0.017 0.000 0.982 281 D CA 1.491 55.500 54.000 0.015 0.000 0.828 281 D CB -0.428 40.379 40.800 0.012 0.000 0.967 281 D HN 0.426 nan 8.370 nan 0.000 0.464 282 A N 0.701 123.528 122.820 0.012 0.000 1.930 282 A HA -0.107 4.213 4.320 0.000 0.000 0.217 282 A C 2.528 180.121 177.584 0.014 0.000 1.175 282 A CA 0.982 53.026 52.037 0.012 0.000 0.627 282 A CB -0.628 18.376 19.000 0.007 0.000 0.815 282 A HN 0.137 nan 8.150 nan 0.000 0.443 283 V N -0.218 119.703 119.914 0.012 0.000 2.358 283 V HA -0.215 3.905 4.120 0.000 0.000 0.246 283 V C 3.036 179.140 176.094 0.018 0.000 1.047 283 V CA 1.830 64.136 62.300 0.009 0.000 1.035 283 V CB -1.113 30.713 31.823 0.004 0.000 0.658 283 V HN 0.602 nan 8.190 nan 0.000 0.452 284 A N -0.217 122.621 122.820 0.031 0.000 1.933 284 A HA -0.182 4.138 4.320 0.000 0.000 0.218 284 A C 2.146 179.766 177.584 0.061 0.000 1.175 284 A CA 1.969 54.039 52.037 0.054 0.000 0.628 284 A CB -0.528 18.505 19.000 0.055 0.000 0.814 284 A HN 0.448 nan 8.150 nan 0.000 0.444 285 L N -0.192 121.059 121.223 0.046 0.000 2.017 285 L HA -0.061 4.279 4.340 0.000 0.000 0.208 285 L C 2.655 179.556 176.870 0.052 0.000 1.073 285 L CA 2.338 57.208 54.840 0.050 0.000 0.745 285 L CB -0.868 41.213 42.059 0.037 0.000 0.894 285 L HN 0.324 nan 8.230 nan 0.000 0.432 286 A N -0.616 122.224 122.820 0.034 0.000 1.898 286 A HA -0.030 4.290 4.320 0.000 0.000 0.216 286 A C 2.426 180.008 177.584 -0.003 0.000 1.181 286 A CA 1.678 53.730 52.037 0.025 0.000 0.620 286 A CB -1.162 17.848 19.000 0.016 0.000 0.819 286 A HN 0.574 nan 8.150 nan 0.000 0.442 287 A N -0.473 122.329 122.820 -0.031 0.000 1.930 287 A HA 0.145 4.466 4.320 0.000 0.000 0.217 287 A C 2.364 179.880 177.584 -0.114 0.000 1.175 287 A CA 1.830 53.778 52.037 -0.149 0.000 0.627 287 A CB -1.274 17.647 19.000 -0.131 0.000 0.815 287 A HN 0.698 nan 8.150 nan 0.000 0.443 288 G N -0.543 108.320 108.800 0.106 0.000 2.408 288 G HA2 0.039 3.999 3.960 0.000 0.000 0.217 288 G HA3 0.039 3.999 3.960 0.000 0.000 0.217 288 G C 1.695 176.734 174.900 0.232 0.000 1.150 288 G CA 1.271 46.530 45.100 0.265 0.000 0.776 288 G HN 0.765 nan 8.290 nan 0.000 0.542 289 A N 0.815 123.725 122.820 0.150 0.000 1.969 289 A HA 0.193 4.513 4.320 0.000 0.000 0.218 289 A C 2.650 180.340 177.584 0.177 0.000 1.169 289 A CA 1.974 54.124 52.037 0.189 0.000 0.635 289 A CB -0.870 18.213 19.000 0.139 0.000 0.810 289 A HN 0.474 nan 8.150 nan 0.000 0.445 290 G N -1.117 107.710 108.800 0.046 0.000 2.402 290 G HA2 -0.114 3.846 3.960 0.000 0.000 0.216 290 G HA3 -0.114 3.846 3.960 0.000 0.000 0.216 290 G C 1.307 176.209 174.900 0.002 0.000 1.162 290 G CA 1.011 46.086 45.100 -0.042 0.000 0.777 290 G HN 0.379 nan 8.290 nan 0.000 0.539 291 F N -0.213 119.786 119.950 0.082 0.000 2.126 291 F HA -0.029 4.498 4.527 0.000 0.000 0.299 291 F C 2.354 178.210 175.800 0.092 0.000 1.096 291 F CA 0.801 58.845 58.000 0.072 0.000 1.255 291 F CB -0.892 38.155 39.000 0.078 0.000 0.997 291 F HN 0.236 nan 8.300 nan 0.000 0.479 292 Y N 0.572 121.009 120.300 0.229 0.000 2.200 292 Y HA -0.093 4.457 4.550 0.000 0.000 0.290 292 Y C 2.334 178.301 175.900 0.112 0.000 1.137 292 Y CA 1.142 59.329 58.100 0.144 0.000 1.163 292 Y CB -0.822 37.713 38.460 0.125 0.000 0.988 292 Y HN -0.028 nan 8.280 nan 0.000 0.518 293 A N 0.487 123.291 122.820 -0.026 0.000 1.933 293 A HA -0.076 4.244 4.320 0.000 0.000 0.218 293 A C 2.282 179.797 177.584 -0.115 0.000 1.175 293 A CA 1.769 53.742 52.037 -0.107 0.000 0.628 293 A CB -1.370 17.652 19.000 0.037 0.000 0.814 293 A HN 0.593 nan 8.150 nan 0.000 0.444 294 A N -2.008 120.783 122.820 -0.049 0.000 2.238 294 A HA 0.408 4.728 4.320 0.000 0.000 0.208 294 A C 1.816 179.382 177.584 -0.030 0.000 1.177 294 A CA 1.206 53.223 52.037 -0.032 0.000 0.804 294 A CB -0.882 18.121 19.000 0.005 0.000 0.823 294 A HN 1.894 nan 8.150 nan 0.000 0.482 295 G N -0.485 108.274 108.800 -0.069 0.000 2.143 295 G HA2 -0.330 3.630 3.960 0.000 0.000 0.249 295 G HA3 -0.330 3.630 3.960 0.000 0.000 0.249 295 G C 0.975 175.884 174.900 0.015 0.000 0.981 295 G CA 1.010 46.075 45.100 -0.058 0.000 0.665 295 G HN 0.532 nan 8.290 nan 0.000 0.528 296 K N 0.932 121.378 120.400 0.076 0.000 2.103 296 K HA 0.111 4.431 4.320 0.000 0.000 0.204 296 K C 1.626 178.251 176.600 0.041 0.000 1.052 296 K CA 1.915 58.253 56.287 0.086 0.000 0.945 296 K CB -0.175 32.450 32.500 0.208 0.000 0.722 296 K HN 0.767 nan 8.250 nan 0.000 0.443 297 T N -2.116 112.496 114.554 0.096 0.000 2.912 297 T HA 0.386 4.736 4.350 0.000 0.000 0.288 297 T C -2.093 172.710 174.700 0.172 0.000 1.030 297 T CA -1.894 60.258 62.100 0.088 0.000 1.020 297 T CB 1.814 70.735 68.868 0.088 0.000 1.056 297 T HN -0.088 nan 8.240 nan 0.000 0.480 298 P HA 0.085 nan 4.420 nan 0.000 0.233 298 P C 0.295 177.755 177.300 0.266 0.000 1.167 298 P CA 0.176 63.379 63.100 0.172 0.000 0.770 298 P CB 0.147 31.898 31.700 0.085 0.000 0.837 299 S N -2.146 113.681 115.700 0.212 0.000 2.625 299 S HA 0.368 4.838 4.470 0.000 0.000 0.271 299 S C 0.664 175.189 174.600 -0.125 0.000 1.161 299 S CA -0.847 57.326 58.200 -0.045 0.000 0.820 299 S CB 0.693 63.847 63.200 -0.076 0.000 1.137 299 S HN -0.143 nan 8.310 nan 0.000 0.470 300 L N 1.074 122.056 121.223 -0.401 0.000 2.093 300 L HA 0.061 4.401 4.340 0.000 0.000 0.208 300 L C 2.752 179.593 176.870 -0.048 0.000 1.085 300 L CA 1.408 56.131 54.840 -0.196 0.000 0.755 300 L CB -0.425 41.493 42.059 -0.234 0.000 0.904 300 L HN 0.878 nan 8.230 nan 0.000 0.435 301 K N 0.437 120.795 120.400 -0.071 0.000 2.032 301 K HA -0.275 4.045 4.320 0.000 0.000 0.209 301 K C 2.095 178.695 176.600 -0.001 0.000 1.048 301 K CA 1.929 58.199 56.287 -0.029 0.000 0.927 301 K CB 0.036 32.511 32.500 -0.041 0.000 0.712 301 K HN 0.066 nan 8.250 nan 0.000 0.441 302 E N -0.109 120.091 120.200 0.000 0.000 2.208 302 E HA -0.065 4.285 4.350 0.000 0.000 0.193 302 E C 1.720 178.330 176.600 0.016 0.000 0.988 302 E CA 1.523 57.923 56.400 0.001 0.000 0.828 302 E CB -0.431 29.268 29.700 -0.003 0.000 0.763 302 E HN 0.435 nan 8.360 nan 0.000 0.478 303 G N 0.051 108.902 108.800 0.086 0.000 2.402 303 G HA2 -0.199 3.761 3.960 0.000 0.000 0.216 303 G HA3 -0.199 3.761 3.960 0.000 0.000 0.216 303 G C 1.685 176.721 174.900 0.227 0.000 1.162 303 G CA 0.945 46.164 45.100 0.198 0.000 0.777 303 G HN 0.254 nan 8.290 nan 0.000 0.539 304 V N 1.469 121.468 119.914 0.142 0.000 2.427 304 V HA -0.086 4.034 4.120 0.000 0.000 0.248 304 V C 3.294 179.440 176.094 0.087 0.000 1.051 304 V CA 1.861 64.233 62.300 0.119 0.000 1.048 304 V CB -0.685 31.180 31.823 0.070 0.000 0.666 304 V HN 0.470 nan 8.190 nan 0.000 0.456 305 A N -0.057 122.790 122.820 0.045 0.000 1.877 305 A HA -0.207 4.113 4.320 0.000 0.000 0.216 305 A C 2.166 179.753 177.584 0.005 0.000 1.186 305 A CA 2.122 54.169 52.037 0.016 0.000 0.620 305 A CB -0.587 18.410 19.000 -0.006 0.000 0.822 305 A HN 0.450 nan 8.150 nan 0.000 0.443 306 L N -0.291 120.910 121.223 -0.037 0.000 2.046 306 L HA -0.042 4.298 4.340 0.000 0.000 0.208 306 L C 2.663 179.552 176.870 0.032 0.000 1.077 306 L CA 2.147 56.913 54.840 -0.124 0.000 0.747 306 L CB -0.744 41.044 42.059 -0.451 0.000 0.896 306 L HN 0.343 nan 8.230 nan 0.000 0.432 307 A N -0.359 122.595 122.820 0.223 0.000 1.902 307 A HA -0.214 4.106 4.320 0.000 0.000 0.217 307 A C 2.398 180.075 177.584 0.156 0.000 1.181 307 A CA 1.777 54.015 52.037 0.336 0.000 0.623 307 A CB -0.532 18.659 19.000 0.317 0.000 0.818 307 A HN 0.511 nan 8.150 nan 0.000 0.443 308 R N -0.626 119.933 120.500 0.098 0.000 2.096 308 R HA -0.140 4.200 4.340 0.000 0.000 0.235 308 R C 2.314 178.641 176.300 0.045 0.000 1.127 308 R CA 1.454 57.588 56.100 0.058 0.000 0.968 308 R CB -0.300 30.024 30.300 0.039 0.000 0.861 308 R HN 0.810 nan 8.270 nan 0.000 0.440 309 E N 0.742 120.965 120.200 0.039 0.000 2.047 309 E HA -0.149 4.201 4.350 0.000 0.000 0.191 309 E C 1.931 178.552 176.600 0.036 0.000 0.987 309 E CA 1.219 57.633 56.400 0.023 0.000 0.799 309 E CB 0.167 29.868 29.700 0.002 0.000 0.752 309 E HN 0.083 nan 8.360 nan 0.000 0.449 310 V N 1.412 121.363 119.914 0.061 0.000 2.343 310 V HA -0.253 3.867 4.120 0.000 0.000 0.247 310 V C 2.505 178.638 176.094 0.065 0.000 1.051 310 V CA 1.544 63.891 62.300 0.078 0.000 1.036 310 V CB -0.533 31.382 31.823 0.153 0.000 0.654 310 V HN 0.331 nan 8.190 nan 0.000 0.451 311 L N 0.886 122.149 121.223 0.066 0.000 2.012 311 L HA -0.123 4.217 4.340 0.000 0.000 0.210 311 L C 2.458 179.344 176.870 0.026 0.000 1.073 311 L CA 2.454 57.319 54.840 0.042 0.000 0.748 311 L CB -0.970 41.112 42.059 0.038 0.000 0.891 311 L HN 0.244 nan 8.230 nan 0.000 0.431 312 A N -1.234 121.601 122.820 0.024 0.000 2.019 312 A HA -0.193 4.127 4.320 0.000 0.000 0.219 312 A C 2.435 180.027 177.584 0.012 0.000 1.164 312 A CA 1.748 53.792 52.037 0.012 0.000 0.644 312 A CB -0.993 18.013 19.000 0.011 0.000 0.805 312 A HN 0.664 nan 8.150 nan 0.000 0.449 313 S N -1.662 114.051 115.700 0.021 0.000 2.453 313 S HA 0.268 4.738 4.470 0.000 0.000 0.231 313 S C 1.646 176.263 174.600 0.028 0.000 1.005 313 S CA 1.306 59.520 58.200 0.022 0.000 0.949 313 S CB -0.568 62.648 63.200 0.026 0.000 0.774 313 S HN 1.940 nan 8.310 nan 0.000 0.510 314 G N 1.047 109.867 108.800 0.032 0.000 2.179 314 G HA2 -0.279 3.681 3.960 0.000 0.000 0.260 314 G HA3 -0.279 3.681 3.960 0.000 0.000 0.260 314 G C 0.714 175.663 174.900 0.081 0.000 0.977 314 G CA 0.463 45.594 45.100 0.051 0.000 0.641 314 G HN 0.478 nan 8.290 nan 0.000 0.533 315 E N 0.151 120.385 120.200 0.056 0.000 2.204 315 E HA -0.042 4.308 4.350 0.000 0.000 0.195 315 E C 2.786 179.405 176.600 0.033 0.000 0.990 315 E CA 1.361 57.789 56.400 0.046 0.000 0.821 315 E CB -0.464 29.259 29.700 0.037 0.000 0.750 315 E HN 0.885 nan 8.360 nan 0.000 0.477 316 A N 0.267 123.107 122.820 0.034 0.000 1.969 316 A HA -0.188 4.132 4.320 0.000 0.000 0.218 316 A C 2.053 179.638 177.584 0.002 0.000 1.169 316 A CA 1.087 53.117 52.037 -0.013 0.000 0.635 316 A CB -0.589 18.401 19.000 -0.017 0.000 0.810 316 A HN 0.294 nan 8.150 nan 0.000 0.445 317 Y N 0.493 120.755 120.300 -0.063 0.000 2.220 317 Y HA -0.068 4.482 4.550 0.000 0.000 0.291 317 Y C 1.927 177.802 175.900 -0.042 0.000 1.129 317 Y CA 1.456 59.522 58.100 -0.056 0.000 1.161 317 Y CB -0.287 38.152 38.460 -0.036 0.000 0.997 317 Y HN 0.213 nan 8.280 nan 0.000 0.522 318 L N -0.738 120.483 121.223 -0.002 0.000 2.083 318 L HA -0.224 4.116 4.340 0.000 0.000 0.209 318 L C 2.383 179.193 176.870 -0.100 0.000 1.083 318 L CA 1.164 55.964 54.840 -0.066 0.000 0.752 318 L CB -0.770 41.295 42.059 0.010 0.000 0.899 318 L HN 0.310 nan 8.230 nan 0.000 0.433 319 L N -0.077 121.093 121.223 -0.089 0.000 2.046 319 L HA -0.199 4.141 4.340 0.000 0.000 0.208 319 L C 2.329 179.124 176.870 -0.125 0.000 1.077 319 L CA 1.566 56.348 54.840 -0.096 0.000 0.747 319 L CB -0.568 41.412 42.059 -0.131 0.000 0.896 319 L HN 0.122 nan 8.230 nan 0.000 0.432 320 L N -0.068 121.028 121.223 -0.212 0.000 2.012 320 L HA -0.229 4.111 4.340 0.000 0.000 0.210 320 L C 2.366 179.162 176.870 -0.123 0.000 1.073 320 L CA 1.957 56.677 54.840 -0.201 0.000 0.748 320 L CB -0.831 41.078 42.059 -0.250 0.000 0.891 320 L HN 0.449 nan 8.230 nan 0.000 0.431 321 E N -0.762 119.287 120.200 -0.252 0.000 2.077 321 E HA -0.220 4.130 4.350 0.000 0.000 0.193 321 E C 2.274 178.845 176.600 -0.048 0.000 0.989 321 E CA 1.208 57.490 56.400 -0.197 0.000 0.800 321 E CB -0.168 29.364 29.700 -0.280 0.000 0.746 321 E HN 0.514 nan 8.360 nan 0.000 0.452 322 R N -0.173 120.321 120.500 -0.010 0.000 2.092 322 R HA -0.150 4.190 4.340 0.000 0.000 0.231 322 R C 2.277 178.669 176.300 0.153 0.000 1.119 322 R CA 1.178 57.318 56.100 0.065 0.000 0.970 322 R CB -0.353 29.981 30.300 0.055 0.000 0.864 322 R HN 0.251 nan 8.270 nan 0.000 0.440 323 Y N 1.362 121.680 120.300 0.030 0.000 2.163 323 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 323 Y C 2.174 178.166 175.900 0.152 0.000 1.136 323 Y CA 1.170 59.337 58.100 0.112 0.000 1.147 323 Y CB -0.349 38.188 38.460 0.128 0.000 0.987 323 Y HN -0.262 nan 8.280 nan 0.000 0.509 324 V N 0.402 120.363 119.914 0.077 0.000 2.287 324 V HA -0.359 3.761 4.120 0.000 0.000 0.248 324 V C 2.657 178.731 176.094 -0.034 0.000 1.053 324 V CA 1.953 64.243 62.300 -0.017 0.000 1.027 324 V CB -1.620 30.203 31.823 0.000 0.000 0.646 324 V HN 0.555 nan 8.190 nan 0.000 0.447 325 A N -0.797 122.029 122.820 0.010 0.000 1.898 325 A HA -0.222 4.098 4.320 0.000 0.000 0.216 325 A C 2.111 179.707 177.584 0.020 0.000 1.181 325 A CA 1.861 53.904 52.037 0.011 0.000 0.620 325 A CB -0.730 18.288 19.000 0.029 0.000 0.819 325 A HN 0.504 nan 8.150 nan 0.000 0.442 326 F N 0.616 120.513 119.950 -0.089 0.000 2.126 326 F HA -0.164 4.363 4.527 0.000 0.000 0.299 326 F C 1.918 177.638 175.800 -0.134 0.000 1.096 326 F CA 1.769 59.715 58.000 -0.090 0.000 1.255 326 F CB -0.116 38.843 39.000 -0.068 0.000 0.997 326 F HN 0.140 nan 8.300 nan 0.000 0.479 327 L N -0.550 120.632 121.223 -0.068 0.000 2.156 327 L HA -0.110 4.230 4.340 0.000 0.000 0.208 327 L C 2.330 179.125 176.870 -0.126 0.000 1.095 327 L CA 1.042 55.803 54.840 -0.132 0.000 0.770 327 L CB -0.557 41.388 42.059 -0.191 0.000 0.914 327 L HN 0.000 nan 8.230 nan 0.000 0.439 328 R N 0.238 120.675 120.500 -0.104 0.000 2.276 328 R HA 0.132 4.472 4.340 0.000 0.000 0.203 328 R C 1.137 177.375 176.300 -0.102 0.000 1.017 328 R CA 0.228 56.278 56.100 -0.084 0.000 1.010 328 R CB -0.113 30.152 30.300 -0.058 0.000 0.900 328 R HN 0.253 nan 8.270 nan 0.000 0.469 329 A N 0.000 122.729 122.820 -0.152 0.000 2.254 329 A HA 0.000 4.320 4.320 0.000 0.000 0.244 329 A CA 0.000 51.934 52.037 -0.172 0.000 0.836 329 A CB 0.000 18.834 19.000 -0.276 0.000 0.831 329 A HN 0.000 nan 8.150 nan 0.000 0.486