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 2aaq_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT CVNVGCVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R 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 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.002 176.094 -0.153 0.000 1.182 18 V CA 0.000 62.191 62.300 -0.182 0.000 1.235 18 V CB 0.000 31.766 31.823 -0.094 0.000 1.184 19 A N 2.330 125.026 122.820 -0.208 0.000 2.366 19 A HA 0.913 5.233 4.320 0.000 0.000 0.249 19 A C 0.685 178.224 177.584 -0.074 0.000 1.084 19 A CA 0.442 52.396 52.037 -0.138 0.000 0.794 19 A CB 0.787 19.753 19.000 -0.058 0.000 1.034 19 A HN 2.196 nan 8.150 nan 0.000 0.491 20 S N -0.109 115.455 115.700 -0.227 0.000 2.538 20 S HA 0.801 5.271 4.470 0.000 0.000 0.288 20 S C -1.124 173.319 174.600 -0.262 0.000 1.108 20 S CA -0.571 57.575 58.200 -0.090 0.000 0.971 20 S CB 0.847 64.029 63.200 -0.030 0.000 1.041 20 S HN 0.576 nan 8.310 nan 0.000 0.483 21 Y N 0.312 120.688 120.300 0.127 0.000 2.634 21 Y HA 0.473 5.023 4.550 0.000 0.000 0.340 21 Y C 0.628 176.631 175.900 0.172 0.000 1.058 21 Y CA -1.176 57.001 58.100 0.129 0.000 1.081 21 Y CB 0.926 39.459 38.460 0.121 0.000 1.295 21 Y HN 0.528 nan 8.280 nan 0.000 0.487 22 D N -0.427 120.193 120.400 0.366 0.000 2.162 22 D HA -0.079 4.561 4.640 0.000 0.000 0.203 22 D C -0.683 175.964 176.300 0.579 0.000 0.967 22 D CA 1.777 56.009 54.000 0.387 0.000 0.840 22 D CB 0.240 41.197 40.800 0.262 0.000 0.972 22 D HN 0.280 nan 8.370 nan 0.000 0.482 23 Y N 0.359 120.825 120.300 0.276 0.000 2.354 23 Y HA 0.440 4.991 4.550 0.000 0.000 0.330 23 Y C -1.555 174.415 175.900 0.116 0.000 1.011 23 Y CA -1.768 56.500 58.100 0.281 0.000 1.099 23 Y CB 1.160 39.722 38.460 0.170 0.000 1.179 23 Y HN -0.266 nan 8.280 nan 0.000 0.442 24 L N 7.047 128.296 121.223 0.043 0.000 2.325 24 L HA 0.764 5.104 4.340 0.000 0.000 0.281 24 L C -1.641 175.033 176.870 -0.326 0.000 1.004 24 L CA -0.685 54.054 54.840 -0.168 0.000 0.823 24 L CB 1.348 43.393 42.059 -0.024 0.000 1.236 24 L HN 0.344 nan 8.230 nan 0.000 0.415 25 V N 6.548 126.223 119.914 -0.398 0.000 2.435 25 V HA 0.471 4.591 4.120 0.000 0.000 0.290 25 V C 0.148 176.093 176.094 -0.249 0.000 1.030 25 V CA -0.468 61.616 62.300 -0.360 0.000 0.881 25 V CB 1.673 33.271 31.823 -0.375 0.000 0.983 25 V HN 0.595 nan 8.190 nan 0.000 0.445 26 I N 4.403 124.863 120.570 -0.182 0.000 2.330 26 I HA 0.699 4.869 4.170 0.000 0.000 0.286 26 I C 0.639 176.685 176.117 -0.119 0.000 1.025 26 I CA -0.080 61.115 61.300 -0.174 0.000 1.197 26 I CB 1.152 39.043 38.000 -0.181 0.000 1.358 26 I HN 0.891 nan 8.210 nan 0.000 0.467 27 G N 3.629 112.357 108.800 -0.120 0.000 3.438 27 G HA2 0.026 3.986 3.960 0.000 0.000 0.684 27 G HA3 0.026 3.986 3.960 0.000 0.000 0.684 27 G C -0.170 174.690 174.900 -0.067 0.000 1.192 27 G CA -0.584 44.470 45.100 -0.077 0.000 1.013 27 G HN 0.951 nan 8.290 nan 0.000 0.530 28 G N 0.793 109.565 108.800 -0.047 0.000 4.403 28 G HA2 0.724 4.684 3.960 0.000 0.000 0.297 28 G HA3 0.724 4.684 3.960 0.000 0.000 0.297 28 G C 0.675 175.588 174.900 0.020 0.000 1.325 28 G CA 0.746 45.826 45.100 -0.032 0.000 1.378 28 G HN 1.309 nan 8.290 nan 0.000 0.595 29 G N -0.337 108.479 108.800 0.027 0.000 3.217 29 G HA2 0.419 4.379 3.960 0.000 0.000 0.213 29 G HA3 0.419 4.379 3.960 0.000 0.000 0.213 29 G C 1.191 176.143 174.900 0.087 0.000 1.294 29 G CA 0.629 45.768 45.100 0.066 0.000 0.987 29 G HN 0.253 nan 8.290 nan 0.000 0.584 30 S N -0.878 114.876 115.700 0.089 0.000 2.401 30 S HA -0.172 4.298 4.470 0.000 0.000 0.236 30 S C 2.377 177.019 174.600 0.070 0.000 1.058 30 S CA 3.029 61.285 58.200 0.093 0.000 1.151 30 S CB -1.089 62.147 63.200 0.061 0.000 1.049 30 S HN 0.991 nan 8.310 nan 0.000 0.432 31 G N -0.133 108.700 108.800 0.055 0.000 2.394 31 G HA2 0.097 4.057 3.960 0.000 0.000 0.214 31 G HA3 0.097 4.057 3.960 0.000 0.000 0.214 31 G C 1.523 176.447 174.900 0.039 0.000 1.176 31 G CA 0.884 46.015 45.100 0.052 0.000 0.786 31 G HN 0.694 nan 8.290 nan 0.000 0.533 32 G N 1.146 109.957 108.800 0.019 0.000 2.480 32 G HA2 -0.204 3.756 3.960 0.000 0.000 0.216 32 G HA3 -0.204 3.756 3.960 0.000 0.000 0.216 32 G C 1.833 176.713 174.900 -0.033 0.000 1.200 32 G CA 0.929 46.016 45.100 -0.022 0.000 0.782 32 G HN 0.395 nan 8.290 nan 0.000 0.554 33 L N 0.807 122.012 121.223 -0.031 0.000 2.012 33 L HA -0.139 4.201 4.340 0.000 0.000 0.210 33 L C 3.478 180.316 176.870 -0.054 0.000 1.073 33 L CA 1.210 56.009 54.840 -0.068 0.000 0.748 33 L CB -0.643 41.362 42.059 -0.091 0.000 0.891 33 L HN 0.331 nan 8.230 nan 0.000 0.431 34 A N -0.550 122.263 122.820 -0.012 0.000 1.859 34 A HA -0.307 4.013 4.320 0.000 0.000 0.217 34 A C 2.558 180.147 177.584 0.010 0.000 1.198 34 A CA 2.478 54.514 52.037 -0.001 0.000 0.629 34 A CB -1.069 17.946 19.000 0.026 0.000 0.830 34 A HN 0.384 nan 8.150 nan 0.000 0.446 35 S N -0.676 115.054 115.700 0.049 0.000 2.359 35 S HA -0.107 4.363 4.470 0.000 0.000 0.224 35 S C 2.199 176.905 174.600 0.177 0.000 1.035 35 S CA 1.895 60.168 58.200 0.121 0.000 1.018 35 S CB -0.607 62.711 63.200 0.197 0.000 0.876 35 S HN 0.913 nan 8.310 nan 0.000 0.448 36 A N 1.479 124.368 122.820 0.114 0.000 1.865 36 A HA -0.117 4.203 4.320 0.000 0.000 0.217 36 A C 2.186 179.771 177.584 0.002 0.000 1.191 36 A CA 1.949 54.040 52.037 0.090 0.000 0.623 36 A CB -0.876 18.089 19.000 -0.059 0.000 0.826 36 A HN 0.612 nan 8.150 nan 0.000 0.444 37 R N -0.911 119.558 120.500 -0.051 0.000 2.091 37 R HA -0.195 4.145 4.340 0.000 0.000 0.238 37 R C 2.359 178.602 176.300 -0.094 0.000 1.136 37 R CA 1.930 57.976 56.100 -0.090 0.000 0.959 37 R CB -0.217 30.016 30.300 -0.110 0.000 0.856 37 R HN 0.393 nan 8.270 nan 0.000 0.437 38 R N 0.359 120.809 120.500 -0.083 0.000 2.120 38 R HA 0.015 4.355 4.340 0.000 0.000 0.234 38 R C 1.778 177.965 176.300 -0.189 0.000 1.123 38 R CA 1.722 57.742 56.100 -0.133 0.000 0.975 38 R CB -0.663 29.544 30.300 -0.155 0.000 0.866 38 R HN 0.347 nan 8.270 nan 0.000 0.446 39 A N 0.303 123.015 122.820 -0.181 0.000 1.845 39 A HA -0.012 4.308 4.320 0.000 0.000 0.215 39 A C 2.381 179.751 177.584 -0.356 0.000 1.195 39 A CA 1.788 53.599 52.037 -0.377 0.000 0.616 39 A CB -1.263 17.443 19.000 -0.490 0.000 0.832 39 A HN 0.435 nan 8.150 nan 0.000 0.443 40 A N -0.486 122.201 122.820 -0.222 0.000 1.978 40 A HA -0.223 4.097 4.320 0.000 0.000 0.220 40 A C 1.983 179.502 177.584 -0.108 0.000 1.170 40 A CA 1.925 53.875 52.037 -0.145 0.000 0.636 40 A CB -0.580 18.371 19.000 -0.082 0.000 0.810 40 A HN 0.710 nan 8.150 nan 0.000 0.448 41 E N -1.048 119.083 120.200 -0.116 0.000 2.204 41 E HA -0.138 4.212 4.350 0.000 0.000 0.194 41 E C 1.156 177.711 176.600 -0.076 0.000 0.989 41 E CA 0.739 57.090 56.400 -0.080 0.000 0.824 41 E CB -0.046 29.604 29.700 -0.082 0.000 0.756 41 E HN 0.415 nan 8.360 nan 0.000 0.477 42 L N -1.020 120.127 121.223 -0.127 0.000 2.592 42 L HA 0.256 4.596 4.340 0.000 0.000 0.227 42 L C 1.402 178.217 176.870 -0.091 0.000 1.127 42 L CA 1.284 56.063 54.840 -0.102 0.000 0.884 42 L CB 0.766 42.742 42.059 -0.138 0.000 1.065 42 L HN 0.353 nan 8.230 nan 0.000 0.457 43 G N -1.447 107.287 108.800 -0.111 0.000 2.491 43 G HA2 -0.200 3.760 3.960 0.000 0.000 0.203 43 G HA3 -0.200 3.760 3.960 0.000 0.000 0.203 43 G C 0.696 175.519 174.900 -0.129 0.000 1.052 43 G CA -0.041 45.014 45.100 -0.076 0.000 0.675 43 G HN 0.602 nan 8.290 nan 0.000 0.504 44 A N 0.987 123.627 122.820 -0.300 0.000 2.624 44 A HA 0.404 4.724 4.320 0.000 0.000 0.231 44 A C 0.669 178.135 177.584 -0.196 0.000 1.034 44 A CA 0.866 52.652 52.037 -0.418 0.000 0.754 44 A CB 0.083 18.334 19.000 -1.249 0.000 0.953 44 A HN 0.481 nan 8.150 nan 0.000 0.509 45 R N 1.422 121.892 120.500 -0.050 0.000 2.369 45 R HA 0.453 4.793 4.340 0.000 0.000 0.310 45 R C 0.252 176.631 176.300 0.131 0.000 1.141 45 R CA 0.327 56.467 56.100 0.067 0.000 1.116 45 R CB 0.148 30.526 30.300 0.129 0.000 1.135 45 R HN 0.799 nan 8.270 nan 0.000 0.529 46 A N 1.364 124.207 122.820 0.038 0.000 2.286 46 A HA 0.786 5.106 4.320 0.000 0.000 0.286 46 A C -0.384 177.111 177.584 -0.148 0.000 1.097 46 A CA -0.367 51.669 52.037 -0.001 0.000 0.821 46 A CB 0.920 19.920 19.000 -0.000 0.000 1.076 46 A HN 0.607 nan 8.150 nan 0.000 0.490 47 A N 1.045 123.652 122.820 -0.354 0.000 2.599 47 A HA 0.539 4.859 4.320 0.000 0.000 0.281 47 A C -0.711 176.603 177.584 -0.451 0.000 1.137 47 A CA -0.267 51.435 52.037 -0.559 0.000 0.767 47 A CB 0.600 18.781 19.000 -1.366 0.000 1.266 47 A HN 1.908 nan 8.150 nan 0.000 0.420 48 V N 3.407 123.129 119.914 -0.320 0.000 2.567 48 V HA 0.695 4.815 4.120 0.000 0.000 0.289 48 V C -0.480 175.455 176.094 -0.265 0.000 1.049 48 V CA -0.178 61.959 62.300 -0.273 0.000 0.969 48 V CB 1.604 33.309 31.823 -0.197 0.000 0.995 48 V HN 0.693 nan 8.190 nan 0.000 0.471 49 V N 5.678 125.443 119.914 -0.249 0.000 2.384 49 V HA 0.584 4.705 4.120 0.000 0.000 0.287 49 V C -0.409 175.599 176.094 -0.143 0.000 1.020 49 V CA -0.453 61.712 62.300 -0.224 0.000 0.850 49 V CB 1.510 33.173 31.823 -0.266 0.000 0.987 49 V HN 1.010 nan 8.190 nan 0.000 0.436 50 E N 2.838 122.983 120.200 -0.091 0.000 2.248 50 E HA 0.479 4.829 4.350 0.000 0.000 0.267 50 E C 0.519 177.142 176.600 0.038 0.000 0.877 50 E CA -0.163 56.222 56.400 -0.024 0.000 0.759 50 E CB 2.245 31.941 29.700 -0.006 0.000 1.182 50 E HN 0.552 nan 8.360 nan 0.000 0.418 51 S N 2.695 118.477 115.700 0.137 0.000 2.503 51 S HA 0.175 4.645 4.470 0.000 0.000 0.215 51 S C 0.456 175.308 174.600 0.420 0.000 1.003 51 S CA 0.354 58.729 58.200 0.292 0.000 0.910 51 S CB -0.089 63.369 63.200 0.430 0.000 0.790 51 S HN 0.564 nan 8.310 nan 0.000 0.514 52 H N 0.693 119.777 119.070 0.022 0.000 4.265 52 H HA 0.584 5.140 4.556 0.000 0.000 0.401 52 H C -0.530 174.807 175.328 0.015 0.000 1.309 52 H CA -0.796 55.266 56.048 0.023 0.000 0.947 52 H CB -0.142 29.639 29.762 0.031 0.000 0.953 52 H HN -0.085 nan 8.280 nan 0.000 0.744 53 K N 1.750 122.260 120.400 0.184 0.000 2.276 53 K HA 0.234 4.554 4.320 0.000 0.000 0.283 53 K C -0.259 176.388 176.600 0.079 0.000 1.044 53 K CA -0.147 56.196 56.287 0.093 0.000 0.944 53 K CB 0.465 33.005 32.500 0.067 0.000 1.012 53 K HN 0.339 nan 8.250 nan 0.000 0.472 54 L N 1.407 122.675 121.223 0.075 0.000 2.455 54 L HA 0.088 4.428 4.340 0.000 0.000 0.272 54 L C 1.373 178.335 176.870 0.152 0.000 1.174 54 L CA 0.665 55.565 54.840 0.101 0.000 0.869 54 L CB 0.272 42.389 42.059 0.096 0.000 1.130 54 L HN 1.037 nan 8.230 nan 0.000 0.474 55 G N 1.536 110.439 108.800 0.172 0.000 2.260 55 G HA2 -0.045 3.915 3.960 0.000 0.000 0.179 55 G HA3 -0.045 3.915 3.960 0.000 0.000 0.179 55 G C 0.611 175.518 174.900 0.011 0.000 1.002 55 G CA -0.092 45.077 45.100 0.115 0.000 0.677 55 G HN 1.238 nan 8.290 nan 0.000 0.486 56 G N -0.350 108.464 108.800 0.023 0.000 2.581 56 G HA2 -0.142 3.818 3.960 0.000 0.000 0.289 56 G HA3 -0.142 3.818 3.960 0.000 0.000 0.289 56 G C 1.162 176.051 174.900 -0.018 0.000 1.303 56 G CA 1.265 46.366 45.100 0.002 0.000 0.931 56 G HN 1.239 nan 8.290 nan 0.000 0.555 57 T N -0.284 114.265 114.554 -0.007 0.000 2.699 57 T HA -0.276 4.074 4.350 0.000 0.000 0.268 57 T C 2.517 177.194 174.700 -0.038 0.000 1.036 57 T CA 2.761 64.859 62.100 -0.004 0.000 1.147 57 T CB -0.823 68.060 68.868 0.026 0.000 0.862 57 T HN 1.117 nan 8.240 nan 0.000 0.446 58 C N 1.936 121.214 119.300 -0.037 0.000 2.299 58 C HA -0.199 4.261 4.460 0.000 0.000 0.274 58 C C 2.811 177.714 174.990 -0.145 0.000 1.152 58 C CA 1.977 60.954 59.018 -0.068 0.000 1.787 58 C CB -1.400 26.303 27.740 -0.061 0.000 1.958 58 C HN 0.515 nan 8.230 nan 0.000 0.424 59 V N 2.431 122.225 119.914 -0.200 0.000 2.223 59 V HA -0.140 3.980 4.120 0.000 0.000 0.244 59 V C 2.319 178.265 176.094 -0.246 0.000 1.045 59 V CA 2.577 64.713 62.300 -0.274 0.000 1.000 59 V CB -1.428 30.170 31.823 -0.374 0.000 0.635 59 V HN 0.690 nan 8.190 nan 0.000 0.445 60 N N 2.061 120.649 118.700 -0.186 0.000 2.069 60 N HA -0.106 4.634 4.740 0.000 0.000 0.191 60 N C 1.445 176.829 175.510 -0.211 0.000 1.031 60 N CA 2.615 55.573 53.050 -0.152 0.000 0.852 60 N CB -0.394 38.051 38.487 -0.068 0.000 1.018 60 N HN 0.766 nan 8.380 nan 0.000 0.423 61 V N -4.012 115.776 119.914 -0.211 0.000 2.925 61 V HA 0.665 4.785 4.120 0.000 0.000 0.361 61 V C 0.524 176.416 176.094 -0.337 0.000 1.361 61 V CA -0.138 61.981 62.300 -0.301 0.000 1.184 61 V CB 0.531 32.420 31.823 0.110 0.000 1.245 61 V HN 0.200 nan 8.190 nan 0.000 0.575 62 G N -0.699 107.891 108.800 -0.349 0.000 3.407 62 G HA2 0.261 4.221 3.960 0.000 0.000 0.187 62 G HA3 0.261 4.221 3.960 0.000 0.000 0.187 62 G C 0.904 175.711 174.900 -0.156 0.000 1.262 62 G CA 0.547 45.558 45.100 -0.149 0.000 0.808 62 G HN 0.221 nan 8.290 nan 0.000 0.687 63 C N -0.524 118.740 119.300 -0.061 0.000 2.266 63 C HA -0.180 4.280 4.460 0.000 0.000 0.264 63 C C 2.980 177.920 174.990 -0.083 0.000 1.111 63 C CA 1.439 60.433 59.018 -0.040 0.000 1.793 63 C CB -1.338 26.378 27.740 -0.040 0.000 1.782 63 C HN 0.321 nan 8.230 nan 0.000 0.396 64 V N 3.055 122.900 119.914 -0.115 0.000 2.220 64 V HA -0.184 3.936 4.120 0.000 0.000 0.246 64 V C -0.015 176.048 176.094 -0.052 0.000 1.049 64 V CA 2.940 65.195 62.300 -0.075 0.000 1.003 64 V CB -2.188 29.552 31.823 -0.139 0.000 0.634 64 V HN 0.515 nan 8.190 nan 0.000 0.444 65 P HA -0.243 nan 4.420 nan 0.000 0.218 65 P C 1.532 178.905 177.300 0.123 0.000 1.146 65 P CA 1.710 64.728 63.100 -0.137 0.000 0.820 65 P CB -0.106 31.273 31.700 -0.535 0.000 0.778 66 K N 0.763 121.225 120.400 0.104 0.000 2.062 66 K HA -0.130 4.190 4.320 0.000 0.000 0.205 66 K C 2.111 178.821 176.600 0.183 0.000 1.051 66 K CA 1.357 57.873 56.287 0.382 0.000 0.941 66 K CB -0.383 32.313 32.500 0.326 0.000 0.719 66 K HN -0.134 nan 8.250 nan 0.000 0.440 67 K N 0.932 121.329 120.400 -0.005 0.000 2.057 67 K HA -0.038 4.282 4.320 0.000 0.000 0.206 67 K C 2.024 178.676 176.600 0.087 0.000 1.050 67 K CA 1.242 57.462 56.287 -0.113 0.000 0.935 67 K CB -0.468 31.901 32.500 -0.217 0.000 0.715 67 K HN -0.029 nan 8.250 nan 0.000 0.439 68 V N 0.873 120.846 119.914 0.097 0.000 2.255 68 V HA -0.303 3.817 4.120 0.000 0.000 0.247 68 V C 2.347 178.494 176.094 0.089 0.000 1.051 68 V CA 1.921 64.274 62.300 0.089 0.000 1.018 68 V CB -0.501 31.380 31.823 0.095 0.000 0.641 68 V HN 0.342 nan 8.190 nan 0.000 0.445 69 M N -1.693 117.991 119.600 0.140 0.000 2.279 69 M HA -0.172 4.309 4.480 0.000 0.000 0.264 69 M C 1.922 178.320 176.300 0.165 0.000 1.062 69 M CA 1.409 56.780 55.300 0.118 0.000 1.099 69 M CB -1.316 31.436 32.600 0.254 0.000 1.394 69 M HN 0.651 nan 8.290 nan 0.000 0.426 70 W N 2.179 123.496 121.300 0.028 0.000 2.409 70 W HA -0.108 4.552 4.660 0.000 0.000 0.299 70 W C 1.961 178.494 176.519 0.024 0.000 1.203 70 W CA 1.273 58.636 57.345 0.031 0.000 1.298 70 W CB -0.393 29.008 29.460 -0.098 0.000 1.127 70 W HN 0.243 nan 8.180 nan 0.000 0.528 71 N N -0.301 118.422 118.700 0.038 0.000 2.069 71 N HA -0.170 4.570 4.740 0.000 0.000 0.191 71 N C 1.610 177.037 175.510 -0.139 0.000 1.031 71 N CA 2.527 55.507 53.050 -0.117 0.000 0.852 71 N CB -1.145 37.356 38.487 0.024 0.000 1.018 71 N HN 0.119 nan 8.380 nan 0.000 0.423 72 T N 1.053 115.564 114.554 -0.073 0.000 2.759 72 T HA -0.090 4.260 4.350 0.000 0.000 0.269 72 T C 1.943 176.511 174.700 -0.220 0.000 1.042 72 T CA 1.439 63.478 62.100 -0.103 0.000 1.140 72 T CB -0.309 68.475 68.868 -0.141 0.000 0.864 72 T HN 0.370 nan 8.240 nan 0.000 0.455 73 A N 0.791 123.455 122.820 -0.261 0.000 1.929 73 A HA 0.015 4.335 4.320 0.000 0.000 0.216 73 A C 2.575 179.894 177.584 -0.441 0.000 1.176 73 A CA 1.057 52.895 52.037 -0.332 0.000 0.628 73 A CB -0.835 18.026 19.000 -0.230 0.000 0.816 73 A HN 0.358 nan 8.150 nan 0.000 0.444 74 V N -0.421 119.165 119.914 -0.548 0.000 2.343 74 V HA -0.250 3.870 4.120 0.000 0.000 0.247 74 V C 2.484 178.224 176.094 -0.589 0.000 1.051 74 V CA 2.074 63.932 62.300 -0.737 0.000 1.036 74 V CB -1.034 30.218 31.823 -0.952 0.000 0.654 74 V HN 0.635 nan 8.190 nan 0.000 0.451 75 H N 0.009 118.874 119.070 -0.343 0.000 2.290 75 H HA -0.166 4.390 4.556 0.000 0.000 0.298 75 H C 2.734 177.952 175.328 -0.182 0.000 1.087 75 H CA 2.104 58.059 56.048 -0.156 0.000 1.291 75 H CB -0.458 29.224 29.762 -0.133 0.000 1.369 75 H HN 0.461 nan 8.280 nan 0.000 0.492 76 S N 0.067 115.694 115.700 -0.122 0.000 2.387 76 S HA -0.151 4.319 4.470 0.000 0.000 0.230 76 S C 1.945 176.438 174.600 -0.179 0.000 1.035 76 S CA 1.408 59.484 58.200 -0.205 0.000 1.014 76 S CB 0.087 63.131 63.200 -0.260 0.000 0.836 76 S HN 0.390 nan 8.310 nan 0.000 0.466 77 E N 0.480 120.596 120.200 -0.140 0.000 2.028 77 E HA -0.051 4.300 4.350 0.000 0.000 0.191 77 E C 1.816 178.492 176.600 0.128 0.000 0.988 77 E CA 0.937 57.356 56.400 0.033 0.000 0.799 77 E CB -0.669 28.870 29.700 -0.269 0.000 0.755 77 E HN 0.598 nan 8.360 nan 0.000 0.447 78 F N 0.730 120.702 119.950 0.036 0.000 2.236 78 F HA -0.148 4.379 4.527 0.000 0.000 0.302 78 F C 2.172 178.025 175.800 0.089 0.000 1.073 78 F CA 0.812 58.862 58.000 0.082 0.000 1.336 78 F CB -0.509 38.477 39.000 -0.022 0.000 1.040 78 F HN 0.029 nan 8.300 nan 0.000 0.507 79 M N -1.191 118.495 119.600 0.144 0.000 2.630 79 M HA -0.089 4.391 4.480 0.000 0.000 0.254 79 M C 1.556 177.834 176.300 -0.037 0.000 1.092 79 M CA 0.999 56.297 55.300 -0.002 0.000 1.087 79 M CB -1.347 31.154 32.600 -0.165 0.000 1.453 79 M HN 0.185 nan 8.290 nan 0.000 0.509 80 H N -0.644 118.520 119.070 0.156 0.000 2.539 80 H HA 0.092 4.648 4.556 0.000 0.000 0.267 80 H C 0.546 175.996 175.328 0.203 0.000 0.982 80 H CA 0.562 56.693 56.048 0.139 0.000 1.146 80 H CB 0.409 30.227 29.762 0.093 0.000 1.382 80 H HN 0.322 nan 8.280 nan 0.000 0.577 81 D N -1.311 119.306 120.400 0.360 0.000 2.423 81 D HA -0.041 4.599 4.640 0.000 0.000 0.208 81 D C 1.837 178.378 176.300 0.402 0.000 1.068 81 D CA 0.110 54.348 54.000 0.397 0.000 0.860 81 D CB 0.005 41.117 40.800 0.520 0.000 0.992 81 D HN 0.317 nan 8.370 nan 0.000 0.504 82 H N 1.929 121.137 119.070 0.230 0.000 2.272 82 H HA -0.245 4.311 4.556 0.000 0.000 0.289 82 H C 1.907 177.433 175.328 0.331 0.000 1.100 82 H CA 2.773 58.948 56.048 0.212 0.000 1.209 82 H CB -0.091 29.719 29.762 0.081 0.000 1.348 82 H HN 0.102 nan 8.280 nan 0.000 0.481 83 A N 0.202 123.193 122.820 0.285 0.000 1.877 83 A HA -0.202 4.118 4.320 0.000 0.000 0.216 83 A C 2.211 179.866 177.584 0.119 0.000 1.186 83 A CA 1.911 54.054 52.037 0.176 0.000 0.620 83 A CB -0.629 18.465 19.000 0.157 0.000 0.822 83 A HN 0.572 nan 8.150 nan 0.000 0.443 84 D N -1.376 119.103 120.400 0.132 0.000 2.158 84 D HA -0.162 4.478 4.640 0.000 0.000 0.197 84 D C 0.792 177.043 176.300 -0.081 0.000 0.995 84 D CA 1.262 55.276 54.000 0.024 0.000 0.846 84 D CB -0.375 40.448 40.800 0.038 0.000 0.941 84 D HN 0.603 nan 8.370 nan 0.000 0.456 85 Y N -0.253 120.079 120.300 0.052 0.000 2.547 85 Y HA 0.285 4.835 4.550 0.000 0.000 0.325 85 Y C 1.642 177.513 175.900 -0.048 0.000 1.165 85 Y CA 0.290 58.421 58.100 0.051 0.000 1.300 85 Y CB 0.193 38.748 38.460 0.159 0.000 1.126 85 Y HN 0.058 nan 8.280 nan 0.000 0.513 86 G N -0.866 107.893 108.800 -0.067 0.000 2.162 86 G HA2 -0.313 3.647 3.960 0.000 0.000 0.260 86 G HA3 -0.313 3.647 3.960 0.000 0.000 0.260 86 G C -0.082 174.564 174.900 -0.424 0.000 0.976 86 G CA -0.135 44.809 45.100 -0.260 0.000 0.655 86 G HN 0.273 nan 8.290 nan 0.000 0.533 87 F N 1.541 121.373 119.950 -0.197 0.000 2.483 87 F HA 0.617 5.144 4.527 0.000 0.000 0.329 87 F C -1.500 174.241 175.800 -0.099 0.000 1.064 87 F CA -2.384 55.439 58.000 -0.295 0.000 0.986 87 F CB 1.621 39.999 39.000 -1.037 0.000 1.218 87 F HN -0.152 nan 8.300 nan 0.000 0.484 88 P HA 0.078 nan 4.420 nan 0.000 0.275 88 P C -0.682 176.808 177.300 0.316 0.000 1.227 88 P CA -0.240 62.983 63.100 0.206 0.000 0.781 88 P CB 0.909 32.708 31.700 0.164 0.000 0.906 89 S N 1.378 117.209 115.700 0.218 0.000 2.571 89 S HA -0.047 4.423 4.470 0.000 0.000 0.298 89 S C 0.575 175.268 174.600 0.154 0.000 1.280 89 S CA -0.060 58.260 58.200 0.200 0.000 1.052 89 S CB -0.278 62.995 63.200 0.122 0.000 0.799 89 S HN 0.600 nan 8.310 nan 0.000 0.501 90 C N 3.383 122.732 119.300 0.082 0.000 2.329 90 C HA 0.399 4.860 4.460 0.000 0.000 0.329 90 C C 1.403 176.374 174.990 -0.031 0.000 1.275 90 C CA -0.715 58.269 59.018 -0.057 0.000 1.726 90 C CB -0.079 27.518 27.740 -0.238 0.000 2.291 90 C HN 1.016 nan 8.230 nan 0.000 0.514 91 E N 1.970 122.152 120.200 -0.029 0.000 1.905 91 E HA 0.109 4.459 4.350 0.000 0.000 0.218 91 E C 1.640 178.235 176.600 -0.008 0.000 0.928 91 E CA 2.130 58.525 56.400 -0.007 0.000 0.928 91 E CB -0.315 29.380 29.700 -0.008 0.000 0.815 91 E HN 1.209 nan 8.360 nan 0.000 0.590 92 G N -1.267 107.529 108.800 -0.006 0.000 2.200 92 G HA2 -0.188 3.772 3.960 0.000 0.000 0.145 92 G HA3 -0.188 3.772 3.960 0.000 0.000 0.145 92 G C 0.670 175.618 174.900 0.080 0.000 1.021 92 G CA 0.345 45.453 45.100 0.013 0.000 0.720 92 G HN 0.144 nan 8.290 nan 0.000 0.494 93 K N -0.963 119.476 120.400 0.065 0.000 2.052 93 K HA 0.009 4.329 4.320 0.000 0.000 0.215 93 K C 0.939 177.628 176.600 0.149 0.000 1.053 93 K CA 1.208 57.538 56.287 0.073 0.000 0.934 93 K CB -0.052 32.461 32.500 0.022 0.000 0.717 93 K HN 1.114 nan 8.250 nan 0.000 0.450 94 F N 1.074 121.018 119.950 -0.010 0.000 2.092 94 F HA -0.230 4.297 4.527 0.000 0.000 0.446 94 F C -0.859 174.964 175.800 0.038 0.000 1.207 94 F CA -0.239 57.763 58.000 0.003 0.000 1.444 94 F CB -0.334 38.677 39.000 0.019 0.000 2.290 94 F HN 0.206 nan 8.300 nan 0.000 0.730 95 N N 7.480 125.594 118.700 -0.976 0.000 2.558 95 N HA 0.051 4.791 4.740 0.000 0.000 0.242 95 N C 0.866 175.800 175.510 -0.960 0.000 0.979 95 N CA -0.248 52.341 53.050 -0.768 0.000 0.931 95 N CB 0.284 38.573 38.487 -0.331 0.000 1.122 95 N HN 0.816 nan 8.380 nan 0.000 0.508 96 W N 4.898 125.564 121.300 -1.058 0.000 2.318 96 W HA -0.157 4.503 4.660 0.000 0.000 0.313 96 W C 1.545 177.928 176.519 -0.226 0.000 1.221 96 W CA 1.295 58.358 57.345 -0.471 0.000 1.266 96 W CB 0.007 29.368 29.460 -0.165 0.000 1.150 96 W HN 0.639 nan 8.180 nan 0.000 0.496 97 R N 0.251 120.824 120.500 0.121 0.000 2.139 97 R HA -0.187 4.153 4.340 0.000 0.000 0.243 97 R C 2.115 178.402 176.300 -0.021 0.000 1.145 97 R CA 1.975 58.125 56.100 0.083 0.000 0.976 97 R CB -0.452 29.866 30.300 0.030 0.000 0.866 97 R HN 0.091 nan 8.270 nan 0.000 0.449 98 V N 0.920 120.778 119.914 -0.093 0.000 2.270 98 V HA -0.262 3.859 4.120 0.000 0.000 0.245 98 V C 2.349 178.397 176.094 -0.076 0.000 1.043 98 V CA 1.459 63.707 62.300 -0.086 0.000 1.014 98 V CB -0.359 31.398 31.823 -0.110 0.000 0.645 98 V HN 0.313 nan 8.190 nan 0.000 0.447 99 I N 0.251 120.760 120.570 -0.102 0.000 2.252 99 I HA -0.184 3.986 4.170 0.000 0.000 0.245 99 I C 2.466 178.510 176.117 -0.121 0.000 1.102 99 I CA 1.679 62.923 61.300 -0.093 0.000 1.385 99 I CB -1.044 36.913 38.000 -0.072 0.000 1.064 99 I HN 0.368 nan 8.210 nan 0.000 0.414 100 K N 1.762 122.057 120.400 -0.174 0.000 2.020 100 K HA -0.224 4.096 4.320 0.000 0.000 0.212 100 K C 1.901 178.489 176.600 -0.019 0.000 1.050 100 K CA 1.866 58.093 56.287 -0.100 0.000 0.929 100 K CB -0.336 32.165 32.500 0.002 0.000 0.714 100 K HN 0.322 nan 8.250 nan 0.000 0.443 101 E N 0.322 120.516 120.200 -0.009 0.000 2.049 101 E HA -0.234 4.116 4.350 0.000 0.000 0.198 101 E C 2.075 178.679 176.600 0.007 0.000 1.007 101 E CA 1.906 58.308 56.400 0.004 0.000 0.809 101 E CB -0.121 29.577 29.700 -0.003 0.000 0.749 101 E HN 0.329 nan 8.360 nan 0.000 0.450 102 K N 0.422 120.820 120.400 -0.004 0.000 2.026 102 K HA -0.150 4.170 4.320 0.000 0.000 0.208 102 K C 2.305 178.933 176.600 0.046 0.000 1.048 102 K CA 0.876 57.169 56.287 0.009 0.000 0.929 102 K CB -0.179 32.311 32.500 -0.015 0.000 0.713 102 K HN 0.009 nan 8.250 nan 0.000 0.439 103 R N 1.208 121.728 120.500 0.034 0.000 2.094 103 R HA -0.188 4.152 4.340 0.000 0.000 0.239 103 R C 1.662 178.002 176.300 0.067 0.000 1.137 103 R CA 2.104 58.247 56.100 0.071 0.000 0.943 103 R CB -0.170 30.149 30.300 0.032 0.000 0.850 103 R HN 0.181 nan 8.270 nan 0.000 0.433 104 D N -0.012 120.411 120.400 0.038 0.000 2.123 104 D HA -0.161 4.480 4.640 0.000 0.000 0.196 104 D C 1.698 178.013 176.300 0.026 0.000 0.992 104 D CA 1.492 55.505 54.000 0.023 0.000 0.833 104 D CB -0.334 40.481 40.800 0.025 0.000 0.954 104 D HN 0.376 nan 8.370 nan 0.000 0.455 105 A N 0.537 123.386 122.820 0.048 0.000 1.845 105 A HA -0.248 4.072 4.320 0.000 0.000 0.215 105 A C 2.235 179.878 177.584 0.099 0.000 1.195 105 A CA 1.492 53.564 52.037 0.058 0.000 0.616 105 A CB -1.299 17.734 19.000 0.055 0.000 0.832 105 A HN 0.273 nan 8.150 nan 0.000 0.443 106 Y N 1.050 121.333 120.300 -0.027 0.000 2.102 106 Y HA -0.252 4.298 4.550 0.000 0.000 0.280 106 Y C 2.405 178.279 175.900 -0.043 0.000 1.178 106 Y CA 1.600 59.681 58.100 -0.032 0.000 1.146 106 Y CB -0.915 37.524 38.460 -0.034 0.000 0.968 106 Y HN 0.064 nan 8.280 nan 0.000 0.504 107 V N 0.360 120.184 119.914 -0.151 0.000 2.214 107 V HA -0.390 3.730 4.120 0.000 0.000 0.247 107 V C 2.695 178.669 176.094 -0.200 0.000 1.051 107 V CA 2.930 65.067 62.300 -0.272 0.000 1.003 107 V CB -1.569 30.153 31.823 -0.169 0.000 0.635 107 V HN 0.627 nan 8.190 nan 0.000 0.447 108 S N 0.396 116.038 115.700 -0.097 0.000 2.402 108 S HA -0.346 4.124 4.470 0.000 0.000 0.233 108 S C 2.005 176.576 174.600 -0.049 0.000 1.030 108 S CA 2.051 60.215 58.200 -0.060 0.000 1.003 108 S CB -0.643 62.543 63.200 -0.022 0.000 0.813 108 S HN 0.525 nan 8.310 nan 0.000 0.477 109 R N 1.067 121.547 120.500 -0.034 0.000 2.083 109 R HA 0.061 4.402 4.340 0.000 0.000 0.237 109 R C 2.312 178.593 176.300 -0.032 0.000 1.137 109 R CA 1.694 57.795 56.100 0.003 0.000 0.951 109 R CB -0.526 29.825 30.300 0.084 0.000 0.851 109 R HN 0.531 nan 8.270 nan 0.000 0.434 110 L N -0.056 121.085 121.223 -0.136 0.000 2.044 110 L HA -0.094 4.246 4.340 0.000 0.000 0.205 110 L C 2.227 179.041 176.870 -0.092 0.000 1.075 110 L CA 1.261 56.009 54.840 -0.154 0.000 0.747 110 L CB -0.689 41.160 42.059 -0.349 0.000 0.903 110 L HN 0.269 nan 8.230 nan 0.000 0.435 111 N N 0.587 119.205 118.700 -0.135 0.000 2.184 111 N HA -0.225 4.515 4.740 0.000 0.000 0.190 111 N C 1.673 177.206 175.510 0.038 0.000 1.011 111 N CA 1.629 54.636 53.050 -0.072 0.000 0.867 111 N CB -0.002 38.431 38.487 -0.090 0.000 0.993 111 N HN 0.352 nan 8.380 nan 0.000 0.433 112 A N 0.344 123.173 122.820 0.016 0.000 1.873 112 A HA -0.021 4.300 4.320 0.000 0.000 0.215 112 A C 2.340 179.953 177.584 0.048 0.000 1.186 112 A CA 1.156 53.211 52.037 0.030 0.000 0.616 112 A CB -0.672 18.339 19.000 0.017 0.000 0.823 112 A HN 0.358 nan 8.150 nan 0.000 0.442 113 I N -2.041 118.559 120.570 0.050 0.000 2.163 113 I HA -0.286 3.884 4.170 0.000 0.000 0.243 113 I C 2.433 178.606 176.117 0.092 0.000 1.085 113 I CA 1.756 63.090 61.300 0.056 0.000 1.347 113 I CB -0.572 37.459 38.000 0.052 0.000 1.044 113 I HN 0.446 nan 8.210 nan 0.000 0.408 114 Y N 1.811 122.084 120.300 -0.045 0.000 1.977 114 Y HA -0.433 4.117 4.550 0.000 0.000 0.264 114 Y C 2.853 178.726 175.900 -0.044 0.000 1.167 114 Y CA 2.496 60.567 58.100 -0.048 0.000 1.102 114 Y CB -0.854 37.572 38.460 -0.057 0.000 0.948 114 Y HN 0.153 nan 8.280 nan 0.000 0.489 115 Q N 0.689 120.551 119.800 0.103 0.000 2.096 115 Q HA -0.291 4.050 4.340 0.000 0.000 0.208 115 Q C 2.128 178.103 176.000 -0.041 0.000 0.993 115 Q CA 2.408 58.212 55.803 0.003 0.000 0.862 115 Q CB -0.901 27.858 28.738 0.036 0.000 0.915 115 Q HN 0.689 nan 8.270 nan 0.000 0.416 116 N N -0.977 117.713 118.700 -0.017 0.000 2.037 116 N HA -0.246 4.494 4.740 0.000 0.000 0.196 116 N C 1.474 176.944 175.510 -0.067 0.000 1.034 116 N CA 1.579 54.611 53.050 -0.029 0.000 0.861 116 N CB -0.215 38.266 38.487 -0.011 0.000 1.039 116 N HN 0.454 nan 8.380 nan 0.000 0.427 117 N N 0.455 119.103 118.700 -0.087 0.000 2.039 117 N HA -0.139 4.602 4.740 0.000 0.000 0.193 117 N C 1.950 177.355 175.510 -0.176 0.000 1.044 117 N CA 1.339 54.312 53.050 -0.128 0.000 0.847 117 N CB -0.206 38.200 38.487 -0.135 0.000 1.030 117 N HN 0.229 nan 8.380 nan 0.000 0.422 118 L N 0.674 121.766 121.223 -0.219 0.000 2.081 118 L HA -0.209 4.131 4.340 0.000 0.000 0.212 118 L C 2.348 179.120 176.870 -0.163 0.000 1.080 118 L CA 1.148 55.856 54.840 -0.220 0.000 0.754 118 L CB -1.193 40.720 42.059 -0.243 0.000 0.893 118 L HN 0.244 nan 8.230 nan 0.000 0.433 119 T N 0.406 114.885 114.554 -0.125 0.000 2.674 119 T HA -0.181 4.169 4.350 0.000 0.000 0.265 119 T C 1.666 176.292 174.700 -0.123 0.000 1.039 119 T CA 1.801 63.848 62.100 -0.087 0.000 1.150 119 T CB -0.216 68.623 68.868 -0.049 0.000 0.864 119 T HN 0.491 nan 8.240 nan 0.000 0.427 120 K N 2.016 122.321 120.400 -0.159 0.000 2.555 120 K HA 0.077 4.397 4.320 0.000 0.000 0.193 120 K C 1.635 177.889 176.600 -0.577 0.000 1.032 120 K CA 0.935 57.071 56.287 -0.250 0.000 1.004 120 K CB -0.081 32.331 32.500 -0.147 0.000 0.804 120 K HN 0.360 nan 8.250 nan 0.000 0.496 121 S N 0.457 115.885 115.700 -0.453 0.000 2.597 121 S HA 0.021 4.492 4.470 0.000 0.000 0.224 121 S C -0.099 174.266 174.600 -0.391 0.000 0.955 121 S CA -0.630 57.300 58.200 -0.450 0.000 0.933 121 S CB -0.628 62.427 63.200 -0.242 0.000 0.788 121 S HN 0.472 nan 8.310 nan 0.000 0.488 122 H N 0.448 119.494 119.070 -0.041 0.000 2.684 122 H HA -0.148 4.408 4.556 0.000 0.000 0.309 122 H C -0.230 175.081 175.328 -0.028 0.000 1.102 122 H CA 1.076 57.108 56.048 -0.027 0.000 1.147 122 H CB -2.493 27.258 29.762 -0.018 0.000 1.391 122 H HN 0.566 nan 8.280 nan 0.000 0.398 123 I N 1.434 121.999 120.570 -0.008 0.000 2.342 123 I HA 0.079 4.249 4.170 0.000 0.000 0.291 123 I C 0.981 177.075 176.117 -0.039 0.000 1.010 123 I CA -0.093 61.185 61.300 -0.036 0.000 1.308 123 I CB 1.129 39.073 38.000 -0.093 0.000 1.400 123 I HN 0.043 nan 8.210 nan 0.000 0.488 124 E N 5.950 126.128 120.200 -0.037 0.000 2.338 124 E HA 0.270 4.620 4.350 0.000 0.000 0.272 124 E C -0.958 175.570 176.600 -0.121 0.000 1.029 124 E CA -0.459 55.916 56.400 -0.041 0.000 0.872 124 E CB 1.211 30.923 29.700 0.020 0.000 1.015 124 E HN 0.314 nan 8.360 nan 0.000 0.417 125 I N 4.296 124.811 120.570 -0.092 0.000 2.328 125 I HA 0.199 4.369 4.170 0.000 0.000 0.287 125 I C -0.135 175.910 176.117 -0.121 0.000 1.012 125 I CA -0.068 61.163 61.300 -0.115 0.000 1.195 125 I CB 0.702 38.656 38.000 -0.076 0.000 1.350 125 I HN 0.358 nan 8.210 nan 0.000 0.464 126 I N 6.153 126.606 120.570 -0.195 0.000 2.352 126 I HA 0.305 4.476 4.170 0.000 0.000 0.290 126 I C 0.415 176.450 176.117 -0.136 0.000 1.036 126 I CA -0.703 60.471 61.300 -0.211 0.000 1.336 126 I CB 0.492 38.234 38.000 -0.432 0.000 1.407 126 I HN 0.420 nan 8.210 nan 0.000 0.497 127 R N 3.938 124.396 120.500 -0.070 0.000 2.459 127 R HA 0.764 5.104 4.340 0.000 0.000 0.281 127 R C 0.015 176.308 176.300 -0.012 0.000 1.050 127 R CA -0.232 55.850 56.100 -0.030 0.000 1.055 127 R CB 1.235 31.530 30.300 -0.009 0.000 1.045 127 R HN 0.909 nan 8.270 nan 0.000 0.495 128 G N 0.572 109.382 108.800 0.017 0.000 2.539 128 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 128 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 128 G C -1.443 173.504 174.900 0.078 0.000 1.258 128 G CA -0.913 44.220 45.100 0.055 0.000 0.846 128 G HN 0.800 nan 8.290 nan 0.000 0.647 129 H N 0.249 119.339 119.070 0.032 0.000 2.897 129 H HA 0.595 5.151 4.556 0.000 0.000 0.347 129 H C 0.646 175.970 175.328 -0.006 0.000 1.068 129 H CA 1.621 57.688 56.048 0.032 0.000 1.426 129 H CB 0.965 30.757 29.762 0.050 0.000 1.410 129 H HN 1.271 nan 8.280 nan 0.000 0.597 130 A N 3.173 125.726 122.820 -0.444 0.000 2.401 130 A HA 0.845 5.165 4.320 0.000 0.000 0.310 130 A C -1.240 176.131 177.584 -0.355 0.000 1.075 130 A CA -0.030 51.824 52.037 -0.305 0.000 0.746 130 A CB 1.299 20.123 19.000 -0.294 0.000 1.277 130 A HN 0.978 nan 8.150 nan 0.000 0.425 131 A N 0.598 123.291 122.820 -0.212 0.000 2.594 131 A HA 0.735 5.055 4.320 0.000 0.000 0.295 131 A C -1.323 176.184 177.584 -0.127 0.000 1.071 131 A CA -0.608 51.356 52.037 -0.121 0.000 0.685 131 A CB 0.570 19.608 19.000 0.063 0.000 1.285 131 A HN 0.797 nan 8.150 nan 0.000 0.405 132 F N 1.901 121.862 119.950 0.018 0.000 2.427 132 F HA 0.410 4.938 4.527 0.000 0.000 0.352 132 F C 1.705 177.524 175.800 0.032 0.000 1.100 132 F CA 0.516 58.532 58.000 0.026 0.000 1.191 132 F CB 1.089 40.099 39.000 0.017 0.000 1.128 132 F HN 0.708 nan 8.300 nan 0.000 0.533 133 T N -1.395 113.272 114.554 0.189 0.000 3.051 133 T HA 0.041 4.391 4.350 0.000 0.000 0.356 133 T C 0.930 175.698 174.700 0.113 0.000 1.204 133 T CA -0.475 61.700 62.100 0.124 0.000 0.990 133 T CB 0.274 69.193 68.868 0.085 0.000 1.628 133 T HN 0.462 nan 8.240 nan 0.000 0.550 134 S N 0.400 116.146 115.700 0.075 0.000 2.573 134 S HA 0.187 4.658 4.470 0.000 0.000 0.244 134 S C -0.517 174.111 174.600 0.047 0.000 0.984 134 S CA -0.718 57.515 58.200 0.055 0.000 1.001 134 S CB -1.046 62.179 63.200 0.041 0.000 0.788 134 S HN 0.491 nan 8.310 nan 0.000 0.456 135 D N 2.101 122.536 120.400 0.058 0.000 2.326 135 D HA 0.309 4.950 4.640 0.000 0.000 0.251 135 D C -1.524 174.803 176.300 0.045 0.000 1.023 135 D CA -1.387 52.642 54.000 0.047 0.000 0.966 135 D CB 1.471 42.301 40.800 0.050 0.000 1.156 135 D HN 0.157 nan 8.370 nan 0.000 0.494 136 P HA 0.023 nan 4.420 nan 0.000 0.220 136 P C 0.295 177.613 177.300 0.030 0.000 1.154 136 P CA 0.395 63.509 63.100 0.023 0.000 0.837 136 P CB 1.101 32.809 31.700 0.013 0.000 0.815 137 K N 1.536 121.957 120.400 0.036 0.000 2.350 137 K HA 0.205 4.525 4.320 0.000 0.000 0.279 137 K C -2.107 174.533 176.600 0.068 0.000 1.027 137 K CA -2.113 54.199 56.287 0.041 0.000 0.969 137 K CB -0.030 32.490 32.500 0.035 0.000 0.954 137 K HN -0.121 nan 8.250 nan 0.000 0.474 138 P HA -0.137 nan 4.420 nan 0.000 0.191 138 P C -1.305 176.080 177.300 0.142 0.000 0.942 138 P CA 0.773 63.943 63.100 0.117 0.000 1.312 138 P CB -0.247 31.511 31.700 0.097 0.000 1.452 139 T N 0.513 115.166 114.554 0.166 0.000 2.956 139 T HA 0.718 5.068 4.350 0.000 0.000 0.312 139 T C -0.598 174.180 174.700 0.129 0.000 1.151 139 T CA -0.934 61.250 62.100 0.140 0.000 1.024 139 T CB 1.268 70.195 68.868 0.098 0.000 1.140 139 T HN 0.004 nan 8.240 nan 0.000 0.473 140 I N -1.463 119.141 120.570 0.056 0.000 2.892 140 I HA 0.811 4.981 4.170 0.000 0.000 0.306 140 I C -0.509 175.638 176.117 0.050 0.000 1.078 140 I CA -1.290 59.978 61.300 -0.054 0.000 1.032 140 I CB 1.986 39.793 38.000 -0.322 0.000 1.229 140 I HN 0.783 nan 8.210 nan 0.000 0.435 141 E N 3.576 123.794 120.200 0.031 0.000 2.114 141 E HA 0.475 4.825 4.350 0.000 0.000 0.266 141 E C -1.816 174.835 176.600 0.085 0.000 0.896 141 E CA -0.528 55.920 56.400 0.081 0.000 0.750 141 E CB 1.775 31.512 29.700 0.062 0.000 1.121 141 E HN 0.605 nan 8.360 nan 0.000 0.413 142 V N 4.301 124.314 119.914 0.166 0.000 2.311 142 V HA 0.115 4.235 4.120 0.000 0.000 0.275 142 V C 0.011 176.191 176.094 0.144 0.000 1.022 142 V CA -0.305 62.068 62.300 0.122 0.000 0.830 142 V CB 0.620 32.486 31.823 0.071 0.000 1.012 142 V HN 0.869 nan 8.190 nan 0.000 0.452 143 S N 3.676 119.438 115.700 0.103 0.000 3.267 143 S HA -0.092 4.378 4.470 0.000 0.000 0.389 143 S C 1.180 175.829 174.600 0.081 0.000 0.863 143 S CA 0.942 59.193 58.200 0.085 0.000 1.354 143 S CB -1.600 61.646 63.200 0.077 0.000 1.008 143 S HN 2.538 nan 8.310 nan 0.000 0.602 144 G N 3.709 112.548 108.800 0.064 0.000 4.610 144 G HA2 -0.406 3.555 3.960 0.000 0.000 0.323 144 G HA3 -0.406 3.555 3.960 0.000 0.000 0.323 144 G C 0.258 175.178 174.900 0.034 0.000 1.377 144 G CA 0.567 45.693 45.100 0.043 0.000 1.023 144 G HN 1.169 nan 8.290 nan 0.000 0.755 145 K N 1.575 121.992 120.400 0.029 0.000 2.580 145 K HA 0.231 4.551 4.320 0.000 0.000 0.278 145 K C 0.282 176.830 176.600 -0.088 0.000 0.960 145 K CA 0.965 57.216 56.287 -0.059 0.000 0.988 145 K CB 0.191 32.653 32.500 -0.065 0.000 0.887 145 K HN 0.506 nan 8.250 nan 0.000 0.509 146 K N 1.689 121.917 120.400 -0.287 0.000 2.328 146 K HA 0.413 4.734 4.320 0.000 0.000 0.246 146 K C -1.260 175.055 176.600 -0.475 0.000 0.955 146 K CA -0.793 55.379 56.287 -0.191 0.000 0.817 146 K CB 1.322 33.777 32.500 -0.075 0.000 1.208 146 K HN 0.327 nan 8.250 nan 0.000 0.432 147 Y N -0.626 119.708 120.300 0.055 0.000 2.524 147 Y HA 0.408 4.958 4.550 0.000 0.000 0.347 147 Y C 0.186 176.149 175.900 0.104 0.000 1.005 147 Y CA -0.824 57.344 58.100 0.114 0.000 1.025 147 Y CB 2.540 41.086 38.460 0.142 0.000 1.275 147 Y HN 0.492 nan 8.280 nan 0.000 0.460 148 T N 1.041 115.763 114.554 0.279 0.000 2.901 148 T HA 0.936 5.286 4.350 0.000 0.000 0.293 148 T C -1.623 173.225 174.700 0.247 0.000 1.084 148 T CA -0.432 61.791 62.100 0.205 0.000 1.008 148 T CB 1.251 70.192 68.868 0.122 0.000 1.170 148 T HN 1.080 nan 8.240 nan 0.000 0.509 149 A N 3.555 126.497 122.820 0.204 0.000 2.580 149 A HA 0.610 4.930 4.320 0.000 0.000 0.301 149 A C -2.556 175.123 177.584 0.159 0.000 1.054 149 A CA -0.946 51.227 52.037 0.227 0.000 0.751 149 A CB 0.918 20.108 19.000 0.316 0.000 1.275 149 A HN 0.538 nan 8.150 nan 0.000 0.403 150 P HA -0.087 nan 4.420 nan 0.000 0.221 150 P C -0.040 177.128 177.300 -0.220 0.000 1.145 150 P CA 1.354 64.370 63.100 -0.141 0.000 0.795 150 P CB -0.058 31.477 31.700 -0.276 0.000 0.775 151 H N -0.199 119.087 119.070 0.360 0.000 2.727 151 H HA 0.474 5.030 4.556 0.000 0.000 0.330 151 H C -0.083 175.597 175.328 0.586 0.000 0.986 151 H CA -0.687 55.700 56.048 0.566 0.000 1.251 151 H CB 1.525 31.598 29.762 0.518 0.000 1.493 151 H HN 0.029 nan 8.280 nan 0.000 0.515 152 I N 4.149 125.078 120.570 0.599 0.000 2.466 152 I HA 0.115 4.285 4.170 0.000 0.000 0.289 152 I C -0.680 175.686 176.117 0.414 0.000 1.026 152 I CA -0.854 60.671 61.300 0.376 0.000 1.078 152 I CB 2.435 40.606 38.000 0.285 0.000 1.249 152 I HN 0.195 nan 8.210 nan 0.000 0.429 153 L N 8.118 129.458 121.223 0.196 0.000 2.309 153 L HA 0.600 4.940 4.340 0.000 0.000 0.282 153 L C -0.805 176.128 176.870 0.105 0.000 1.036 153 L CA -0.044 54.917 54.840 0.201 0.000 0.806 153 L CB 1.320 43.400 42.059 0.036 0.000 1.220 153 L HN 0.395 nan 8.230 nan 0.000 0.429 154 I N 5.673 126.343 120.570 0.167 0.000 2.328 154 I HA 0.508 4.678 4.170 0.000 0.000 0.287 154 I C 0.163 176.334 176.117 0.091 0.000 1.012 154 I CA -0.173 61.204 61.300 0.129 0.000 1.195 154 I CB 1.421 39.536 38.000 0.192 0.000 1.350 154 I HN 0.798 nan 8.210 nan 0.000 0.464 155 A N 3.481 126.323 122.820 0.038 0.000 3.176 155 A HA 0.244 4.565 4.320 0.000 0.000 0.265 155 A C 0.958 178.550 177.584 0.014 0.000 0.936 155 A CA -0.314 51.745 52.037 0.036 0.000 1.033 155 A CB -0.357 18.656 19.000 0.022 0.000 1.158 155 A HN 0.709 nan 8.150 nan 0.000 0.485 156 T N -2.673 111.891 114.554 0.017 0.000 3.148 156 T HA 0.416 4.766 4.350 0.000 0.000 0.253 156 T C 1.293 176.000 174.700 0.011 0.000 1.134 156 T CA 0.873 62.970 62.100 -0.004 0.000 1.051 156 T CB -0.501 68.360 68.868 -0.011 0.000 0.959 156 T HN 1.936 nan 8.240 nan 0.000 0.525 157 G N 0.359 109.180 108.800 0.036 0.000 2.622 157 G HA2 0.166 4.126 3.960 0.000 0.000 0.272 157 G HA3 0.166 4.126 3.960 0.000 0.000 0.272 157 G C 0.206 175.137 174.900 0.052 0.000 1.308 157 G CA -0.374 44.754 45.100 0.048 0.000 0.919 157 G HN 1.072 nan 8.290 nan 0.000 0.565 158 G N -1.869 106.965 108.800 0.056 0.000 3.212 158 G HA2 0.976 4.937 3.960 0.000 0.000 0.188 158 G HA3 0.976 4.937 3.960 0.000 0.000 0.188 158 G C -0.133 174.788 174.900 0.035 0.000 1.254 158 G CA 0.208 45.341 45.100 0.054 0.000 0.957 158 G HN 1.931 nan 8.290 nan 0.000 0.596 159 M N -1.292 118.329 119.600 0.035 0.000 2.643 159 M HA 0.485 4.965 4.480 0.000 0.000 0.276 159 M C -3.229 173.089 176.300 0.029 0.000 1.200 159 M CA -1.756 53.562 55.300 0.029 0.000 0.863 159 M CB 2.347 34.957 32.600 0.017 0.000 1.711 159 M HN 0.296 nan 8.290 nan 0.000 0.492 160 P HA 0.081 nan 4.420 nan 0.000 0.271 160 P C -0.606 176.697 177.300 0.005 0.000 1.220 160 P CA 0.232 63.352 63.100 0.033 0.000 0.768 160 P CB 1.118 32.855 31.700 0.062 0.000 0.848 161 S N 2.496 118.186 115.700 -0.017 0.000 2.489 161 S HA 0.387 4.857 4.470 0.000 0.000 0.277 161 S C -0.272 174.241 174.600 -0.144 0.000 1.230 161 S CA -0.135 58.018 58.200 -0.079 0.000 1.053 161 S CB -0.299 62.854 63.200 -0.079 0.000 0.955 161 S HN 0.406 nan 8.310 nan 0.000 0.488 162 T N 6.677 121.086 114.554 -0.241 0.000 2.863 162 T HA 0.566 4.916 4.350 0.000 0.000 0.285 162 T C -2.651 171.703 174.700 -0.576 0.000 1.009 162 T CA -1.019 60.822 62.100 -0.432 0.000 0.989 162 T CB 1.565 70.270 68.868 -0.271 0.000 1.004 162 T HN 0.442 nan 8.240 nan 0.000 0.455 163 P HA 0.267 nan 4.420 nan 0.000 0.274 163 P C -0.266 176.759 177.300 -0.459 0.000 1.237 163 P CA -0.532 62.182 63.100 -0.643 0.000 0.793 163 P CB 0.420 31.678 31.700 -0.736 0.000 0.977 164 H N 1.273 120.232 119.070 -0.185 0.000 2.551 164 H HA 0.087 4.643 4.556 0.000 0.000 0.358 164 H C 1.309 176.586 175.328 -0.084 0.000 1.151 164 H CA -0.002 55.979 56.048 -0.111 0.000 1.374 164 H CB 0.843 30.558 29.762 -0.078 0.000 1.473 164 H HN 0.487 nan 8.280 nan 0.000 0.574 165 E N 1.384 121.639 120.200 0.093 0.000 2.265 165 E HA -0.092 4.258 4.350 0.000 0.000 0.196 165 E C 1.832 178.459 176.600 0.045 0.000 0.996 165 E CA 0.615 57.047 56.400 0.052 0.000 0.832 165 E CB 0.020 29.747 29.700 0.045 0.000 0.756 165 E HN 0.477 nan 8.360 nan 0.000 0.491 166 S N 1.624 117.356 115.700 0.053 0.000 2.359 166 S HA -0.214 4.256 4.470 0.000 0.000 0.224 166 S C 2.002 176.619 174.600 0.028 0.000 1.035 166 S CA 1.353 59.565 58.200 0.021 0.000 1.018 166 S CB -0.208 62.982 63.200 -0.018 0.000 0.876 166 S HN 0.365 nan 8.310 nan 0.000 0.448 167 Q N 0.174 120.001 119.800 0.046 0.000 2.008 167 Q HA 0.243 4.583 4.340 0.000 0.000 0.196 167 Q C 0.258 176.266 176.000 0.014 0.000 0.973 167 Q CA 0.712 56.528 55.803 0.022 0.000 0.826 167 Q CB 0.094 28.835 28.738 0.005 0.000 0.894 167 Q HN 0.421 nan 8.270 nan 0.000 0.439 168 I N 2.827 123.401 120.570 0.006 0.000 2.448 168 I HA 0.278 4.448 4.170 0.000 0.000 0.281 168 I C -2.457 173.693 176.117 0.055 0.000 1.027 168 I CA -2.647 58.674 61.300 0.035 0.000 1.111 168 I CB 2.001 40.026 38.000 0.042 0.000 1.236 168 I HN -0.055 nan 8.210 nan 0.000 0.452 169 P HA 0.099 nan 4.420 nan 0.000 0.271 169 P C 0.790 178.139 177.300 0.082 0.000 1.220 169 P CA 0.660 63.795 63.100 0.058 0.000 0.768 169 P CB 1.207 32.933 31.700 0.044 0.000 0.848 170 G N 2.973 111.823 108.800 0.084 0.000 2.195 170 G HA2 -0.334 3.626 3.960 0.000 0.000 0.246 170 G HA3 -0.334 3.626 3.960 0.000 0.000 0.246 170 G C 1.159 176.157 174.900 0.163 0.000 0.984 170 G CA 0.502 45.662 45.100 0.101 0.000 0.633 170 G HN 0.664 nan 8.290 nan 0.000 0.525 171 A N 1.057 123.990 122.820 0.189 0.000 1.958 171 A HA 0.028 4.348 4.320 0.000 0.000 0.221 171 A C 2.667 180.443 177.584 0.320 0.000 1.178 171 A CA 2.981 55.198 52.037 0.300 0.000 0.642 171 A CB -0.868 18.140 19.000 0.013 0.000 0.816 171 A HN 1.855 nan 8.150 nan 0.000 0.453 172 S N -0.776 115.023 115.700 0.166 0.000 2.547 172 S HA 0.024 4.494 4.470 0.000 0.000 0.235 172 S C 1.524 176.217 174.600 0.155 0.000 0.980 172 S CA 0.899 59.184 58.200 0.142 0.000 0.941 172 S CB -0.300 62.950 63.200 0.083 0.000 0.763 172 S HN 0.306 nan 8.310 nan 0.000 0.532 173 L N 1.395 122.716 121.223 0.163 0.000 2.240 173 L HA 0.243 4.583 4.340 0.000 0.000 0.211 173 L C 1.563 178.487 176.870 0.090 0.000 1.106 173 L CA 1.006 55.907 54.840 0.102 0.000 0.793 173 L CB -1.870 40.231 42.059 0.070 0.000 0.927 173 L HN 0.511 nan 8.230 nan 0.000 0.446 174 G N 0.010 108.912 108.800 0.170 0.000 2.448 174 G HA2 0.507 4.467 3.960 0.000 0.000 0.285 174 G HA3 0.507 4.467 3.960 0.000 0.000 0.285 174 G C 0.063 175.057 174.900 0.158 0.000 1.176 174 G CA -0.450 44.652 45.100 0.003 0.000 0.852 174 G HN 0.181 nan 8.290 nan 0.000 0.530 175 I N -1.141 119.461 120.570 0.054 0.000 3.660 175 I HA 0.872 5.042 4.170 0.000 0.000 0.285 175 I C 0.597 176.814 176.117 0.167 0.000 1.266 175 I CA -0.930 60.445 61.300 0.125 0.000 0.987 175 I CB 1.894 39.938 38.000 0.075 0.000 1.417 175 I HN 0.591 nan 8.210 nan 0.000 0.590 176 T N -2.563 112.083 114.554 0.155 0.000 2.693 176 T HA 0.281 4.631 4.350 0.000 0.000 0.278 176 T C 0.912 175.685 174.700 0.121 0.000 0.994 176 T CA -0.003 62.185 62.100 0.146 0.000 1.033 176 T CB 0.950 69.906 68.868 0.147 0.000 1.342 176 T HN 0.788 nan 8.240 nan 0.000 0.538 177 S N 0.010 115.767 115.700 0.096 0.000 2.419 177 S HA -0.148 4.322 4.470 0.000 0.000 0.233 177 S C 1.239 175.994 174.600 0.258 0.000 1.016 177 S CA 1.480 59.742 58.200 0.104 0.000 0.974 177 S CB -0.955 62.299 63.200 0.090 0.000 0.786 177 S HN 0.680 nan 8.310 nan 0.000 0.492 178 D N 2.064 122.606 120.400 0.236 0.000 2.144 178 D HA 0.035 4.675 4.640 0.000 0.000 0.199 178 D C 2.123 178.571 176.300 0.247 0.000 0.984 178 D CA 1.370 55.530 54.000 0.267 0.000 0.834 178 D CB -0.947 39.961 40.800 0.179 0.000 0.955 178 D HN 0.577 nan 8.370 nan 0.000 0.465 179 G N -0.145 108.767 108.800 0.187 0.000 2.403 179 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 179 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 179 G C 1.455 176.439 174.900 0.141 0.000 1.154 179 G CA 0.069 45.256 45.100 0.145 0.000 0.784 179 G HN 0.214 nan 8.290 nan 0.000 0.538 180 F N 1.381 121.304 119.950 -0.044 0.000 2.087 180 F HA -0.115 4.412 4.527 0.000 0.000 0.299 180 F C 1.813 177.537 175.800 -0.127 0.000 1.100 180 F CA 1.295 59.201 58.000 -0.157 0.000 1.226 180 F CB -0.258 38.516 39.000 -0.377 0.000 0.983 180 F HN 0.118 nan 8.300 nan 0.000 0.479 181 F N 0.128 120.198 119.950 0.201 0.000 2.811 181 F HA 0.063 4.590 4.527 0.000 0.000 0.301 181 F C 1.978 177.824 175.800 0.077 0.000 1.151 181 F CA 0.516 58.572 58.000 0.092 0.000 1.412 181 F CB -0.638 38.450 39.000 0.147 0.000 1.113 181 F HN 0.140 nan 8.300 nan 0.000 0.579 182 Q N -0.526 119.384 119.800 0.183 0.000 2.317 182 Q HA 0.209 4.549 4.340 0.000 0.000 0.220 182 Q C 0.460 176.518 176.000 0.096 0.000 0.873 182 Q CA -0.133 55.754 55.803 0.139 0.000 0.936 182 Q CB 0.590 29.396 28.738 0.114 0.000 1.105 182 Q HN 0.299 nan 8.270 nan 0.000 0.520 183 L N 1.846 123.103 121.223 0.057 0.000 2.525 183 L HA -0.078 4.262 4.340 0.000 0.000 0.278 183 L C 1.032 177.961 176.870 0.098 0.000 1.218 183 L CA 0.731 55.546 54.840 -0.041 0.000 0.878 183 L CB 0.406 42.314 42.059 -0.251 0.000 1.127 183 L HN 0.205 nan 8.230 nan 0.000 0.492 184 E N 1.548 121.712 120.200 -0.060 0.000 2.489 184 E HA 0.098 4.448 4.350 0.000 0.000 0.204 184 E C -0.251 176.257 176.600 -0.153 0.000 1.006 184 E CA 0.061 56.487 56.400 0.044 0.000 0.936 184 E CB 0.762 30.474 29.700 0.020 0.000 1.002 184 E HN 0.542 nan 8.360 nan 0.000 0.488 185 E N 0.453 120.294 120.200 -0.598 0.000 2.433 185 E HA 0.263 4.613 4.350 0.000 0.000 0.273 185 E C -1.090 174.840 176.600 -1.116 0.000 0.950 185 E CA -1.036 54.978 56.400 -0.643 0.000 0.796 185 E CB 1.825 31.333 29.700 -0.321 0.000 1.330 185 E HN -0.077 nan 8.360 nan 0.000 0.455 186 L N 2.608 123.448 121.223 -0.640 0.000 2.283 186 L HA 0.350 4.691 4.340 0.000 0.000 0.287 186 L C -2.430 174.249 176.870 -0.318 0.000 1.073 186 L CA -1.257 53.282 54.840 -0.503 0.000 0.822 186 L CB 0.354 42.437 42.059 0.039 0.000 1.186 186 L HN 0.131 nan 8.230 nan 0.000 0.436 187 P HA 0.134 nan 4.420 nan 0.000 0.263 187 P C 0.725 177.962 177.300 -0.105 0.000 1.195 187 P CA 0.217 63.200 63.100 -0.194 0.000 0.762 187 P CB 1.060 32.658 31.700 -0.169 0.000 0.799 188 G N 3.360 112.111 108.800 -0.082 0.000 2.421 188 G HA2 -0.185 3.776 3.960 0.000 0.000 0.216 188 G HA3 -0.185 3.776 3.960 0.000 0.000 0.216 188 G C 0.578 175.456 174.900 -0.036 0.000 1.171 188 G CA 0.627 45.699 45.100 -0.045 0.000 0.775 188 G HN 0.411 nan 8.290 nan 0.000 0.543 189 R N 0.182 120.653 120.500 -0.048 0.000 2.409 189 R HA 0.593 4.934 4.340 0.000 0.000 0.313 189 R C -1.264 175.003 176.300 -0.055 0.000 0.953 189 R CA -0.255 55.820 56.100 -0.043 0.000 0.849 189 R CB 1.352 31.627 30.300 -0.042 0.000 1.171 189 R HN 0.042 nan 8.270 nan 0.000 0.458 190 S N 2.470 118.142 115.700 -0.046 0.000 2.501 190 S HA 0.668 5.138 4.470 0.000 0.000 0.301 190 S C -1.243 173.317 174.600 -0.067 0.000 1.096 190 S CA -0.648 57.519 58.200 -0.054 0.000 1.063 190 S CB 1.825 65.009 63.200 -0.025 0.000 1.042 190 S HN 0.342 nan 8.310 nan 0.000 0.494 191 V N 4.303 124.157 119.914 -0.100 0.000 2.525 191 V HA 0.528 4.648 4.120 0.000 0.000 0.299 191 V C -0.817 175.179 176.094 -0.164 0.000 1.034 191 V CA -0.491 61.735 62.300 -0.124 0.000 0.863 191 V CB 1.455 33.189 31.823 -0.149 0.000 0.999 191 V HN 0.780 nan 8.190 nan 0.000 0.423 192 I N 4.820 125.309 120.570 -0.135 0.000 2.436 192 I HA 0.532 4.702 4.170 0.000 0.000 0.289 192 I C -0.708 175.337 176.117 -0.120 0.000 1.010 192 I CA -0.960 60.256 61.300 -0.140 0.000 1.098 192 I CB 2.256 40.195 38.000 -0.102 0.000 1.266 192 I HN 0.272 nan 8.210 nan 0.000 0.434 193 V N 5.074 124.913 119.914 -0.124 0.000 2.370 193 V HA 0.939 5.059 4.120 0.000 0.000 0.283 193 V C 0.412 176.540 176.094 0.056 0.000 1.023 193 V CA -0.273 62.014 62.300 -0.023 0.000 0.857 193 V CB 0.783 32.615 31.823 0.016 0.000 0.985 193 V HN 1.062 nan 8.190 nan 0.000 0.443 194 G N 3.337 112.158 108.800 0.035 0.000 2.352 194 G HA2 0.562 4.522 3.960 0.000 0.000 0.302 194 G HA3 0.562 4.522 3.960 0.000 0.000 0.302 194 G C -0.358 174.544 174.900 0.004 0.000 1.370 194 G CA 0.193 45.312 45.100 0.033 0.000 0.918 194 G HN 1.086 nan 8.290 nan 0.000 0.610 195 A N -0.916 121.907 122.820 0.006 0.000 2.600 195 A HA 0.757 5.077 4.320 0.000 0.000 0.252 195 A C 1.205 178.782 177.584 -0.011 0.000 1.200 195 A CA 1.412 53.445 52.037 -0.008 0.000 0.981 195 A CB 0.063 19.067 19.000 0.006 0.000 1.207 195 A HN 2.038 nan 8.150 nan 0.000 0.577 196 G N -1.094 107.704 108.800 -0.004 0.000 2.535 196 G HA2 0.321 4.282 3.960 0.000 0.000 0.282 196 G HA3 0.321 4.282 3.960 0.000 0.000 0.282 196 G C 0.693 175.593 174.900 0.001 0.000 1.350 196 G CA 0.224 45.339 45.100 0.024 0.000 1.039 196 G HN 0.633 nan 8.290 nan 0.000 0.509 197 Y N -1.485 118.795 120.300 -0.033 0.000 2.263 197 Y HA 0.128 4.678 4.550 0.000 0.000 0.292 197 Y C 2.339 178.217 175.900 -0.037 0.000 1.130 197 Y CA 0.833 58.891 58.100 -0.070 0.000 1.179 197 Y CB -0.355 38.077 38.460 -0.046 0.000 0.998 197 Y HN 0.209 nan 8.280 nan 0.000 0.532 198 I N 1.159 121.344 120.570 -0.640 0.000 2.286 198 I HA -0.280 3.890 4.170 0.000 0.000 0.248 198 I C 2.746 178.725 176.117 -0.230 0.000 1.115 198 I CA 1.288 62.320 61.300 -0.447 0.000 1.392 198 I CB -0.608 37.116 38.000 -0.461 0.000 1.065 198 I HN 0.470 nan 8.210 nan 0.000 0.418 199 A N 0.459 123.176 122.820 -0.173 0.000 1.872 199 A HA -0.098 4.222 4.320 0.000 0.000 0.214 199 A C 2.427 179.956 177.584 -0.091 0.000 1.187 199 A CA 1.261 53.227 52.037 -0.118 0.000 0.614 199 A CB -0.883 18.073 19.000 -0.073 0.000 0.826 199 A HN 0.189 nan 8.150 nan 0.000 0.442 200 V N 0.494 120.371 119.914 -0.063 0.000 2.287 200 V HA -0.294 3.826 4.120 0.000 0.000 0.248 200 V C 2.455 178.550 176.094 0.002 0.000 1.053 200 V CA 2.376 64.657 62.300 -0.032 0.000 1.027 200 V CB -0.906 30.891 31.823 -0.044 0.000 0.646 200 V HN 0.628 nan 8.190 nan 0.000 0.447 201 E N -0.411 119.793 120.200 0.007 0.000 2.038 201 E HA -0.249 4.101 4.350 0.000 0.000 0.195 201 E C 2.276 178.881 176.600 0.008 0.000 1.000 201 E CA 1.646 58.082 56.400 0.060 0.000 0.803 201 E CB -0.252 29.503 29.700 0.091 0.000 0.750 201 E HN 0.523 nan 8.360 nan 0.000 0.448 202 M N 0.459 119.957 119.600 -0.170 0.000 2.108 202 M HA -0.173 4.307 4.480 0.000 0.000 0.261 202 M C 2.572 178.807 176.300 -0.110 0.000 1.066 202 M CA 1.453 56.541 55.300 -0.352 0.000 1.107 202 M CB -0.378 31.871 32.600 -0.585 0.000 1.356 202 M HN 0.131 nan 8.290 nan 0.000 0.406 203 A N 0.600 123.386 122.820 -0.057 0.000 1.940 203 A HA -0.072 4.248 4.320 0.000 0.000 0.219 203 A C 2.338 179.958 177.584 0.060 0.000 1.176 203 A CA 1.963 53.999 52.037 -0.001 0.000 0.631 203 A CB -1.518 17.475 19.000 -0.013 0.000 0.814 203 A HN 0.561 nan 8.150 nan 0.000 0.446 204 G N 0.173 109.045 108.800 0.120 0.000 2.446 204 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 204 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 204 G C 1.536 176.550 174.900 0.189 0.000 1.168 204 G CA 1.205 46.449 45.100 0.241 0.000 0.771 204 G HN 0.491 nan 8.290 nan 0.000 0.551 205 I N 0.303 121.020 120.570 0.246 0.000 2.163 205 I HA -0.121 4.049 4.170 0.000 0.000 0.240 205 I C 2.794 179.021 176.117 0.183 0.000 1.081 205 I CA 0.692 62.126 61.300 0.223 0.000 1.353 205 I CB -0.405 37.803 38.000 0.347 0.000 1.054 205 I HN 0.118 nan 8.210 nan 0.000 0.407 206 L N 0.093 121.466 121.223 0.250 0.000 2.013 206 L HA -0.273 4.067 4.340 0.000 0.000 0.212 206 L C 2.814 179.753 176.870 0.115 0.000 1.073 206 L CA 1.725 56.710 54.840 0.241 0.000 0.753 206 L CB -0.655 41.529 42.059 0.207 0.000 0.890 206 L HN 0.267 nan 8.230 nan 0.000 0.432 207 S N -0.574 115.161 115.700 0.059 0.000 2.356 207 S HA -0.204 4.266 4.470 0.000 0.000 0.223 207 S C 2.133 176.715 174.600 -0.030 0.000 1.032 207 S CA 1.290 59.495 58.200 0.007 0.000 1.005 207 S CB -0.170 63.024 63.200 -0.011 0.000 0.867 207 S HN 0.439 nan 8.310 nan 0.000 0.449 208 A N 1.529 124.300 122.820 -0.082 0.000 1.883 208 A HA 0.039 4.359 4.320 0.000 0.000 0.217 208 A C 1.993 179.515 177.584 -0.103 0.000 1.186 208 A CA 1.460 53.404 52.037 -0.155 0.000 0.624 208 A CB -0.818 17.983 19.000 -0.331 0.000 0.822 208 A HN 0.598 nan 8.150 nan 0.000 0.444 209 L N -1.274 119.893 121.223 -0.093 0.000 2.650 209 L HA 0.161 4.501 4.340 0.000 0.000 0.235 209 L C 1.686 178.587 176.870 0.051 0.000 1.149 209 L CA 0.550 55.306 54.840 -0.141 0.000 0.887 209 L CB -0.493 41.495 42.059 -0.118 0.000 1.021 209 L HN 0.660 nan 8.230 nan 0.000 0.441 210 G N -1.110 107.725 108.800 0.059 0.000 2.278 210 G HA2 -0.255 3.705 3.960 0.000 0.000 0.210 210 G HA3 -0.255 3.705 3.960 0.000 0.000 0.210 210 G C 0.432 175.370 174.900 0.064 0.000 1.000 210 G CA 0.130 45.281 45.100 0.085 0.000 0.635 210 G HN 0.289 nan 8.290 nan 0.000 0.495 211 S N 0.421 116.161 115.700 0.066 0.000 2.562 211 S HA 0.458 4.928 4.470 0.000 0.000 0.281 211 S C 0.491 175.099 174.600 0.014 0.000 1.333 211 S CA 0.270 58.490 58.200 0.033 0.000 1.052 211 S CB 0.922 64.142 63.200 0.033 0.000 0.884 211 S HN 0.481 nan 8.310 nan 0.000 0.506 212 K N 3.711 124.110 120.400 -0.001 0.000 2.220 212 K HA 0.235 4.555 4.320 0.000 0.000 0.283 212 K C -0.497 176.094 176.600 -0.015 0.000 1.098 212 K CA 0.131 56.412 56.287 -0.009 0.000 0.928 212 K CB -0.421 32.071 32.500 -0.013 0.000 1.214 212 K HN 0.567 nan 8.250 nan 0.000 0.442 213 T N 2.099 116.646 114.554 -0.012 0.000 2.875 213 T HA 0.410 4.760 4.350 0.000 0.000 0.284 213 T C -0.491 174.194 174.700 -0.024 0.000 0.995 213 T CA -0.584 61.506 62.100 -0.016 0.000 1.060 213 T CB 1.242 70.108 68.868 -0.003 0.000 0.967 213 T HN 0.379 nan 8.240 nan 0.000 0.476 214 S N 1.791 117.470 115.700 -0.035 0.000 2.521 214 S HA 0.636 5.106 4.470 0.000 0.000 0.295 214 S C -1.308 173.264 174.600 -0.046 0.000 1.098 214 S CA -0.698 57.480 58.200 -0.038 0.000 0.999 214 S CB 1.371 64.545 63.200 -0.043 0.000 1.034 214 S HN 0.552 nan 8.310 nan 0.000 0.483 215 L N 3.728 124.928 121.223 -0.040 0.000 2.343 215 L HA 0.600 4.940 4.340 0.000 0.000 0.278 215 L C -0.733 176.113 176.870 -0.040 0.000 0.996 215 L CA -0.271 54.543 54.840 -0.044 0.000 0.831 215 L CB 1.189 43.226 42.059 -0.037 0.000 1.232 215 L HN 0.777 nan 8.230 nan 0.000 0.413 216 M N 7.175 126.750 119.600 -0.043 0.000 2.080 216 M HA 0.502 4.983 4.480 0.000 0.000 0.350 216 M C -0.958 175.330 176.300 -0.020 0.000 1.173 216 M CA -0.497 54.785 55.300 -0.029 0.000 1.052 216 M CB 0.517 33.100 32.600 -0.028 0.000 1.577 216 M HN 0.680 nan 8.290 nan 0.000 0.455 217 I N 1.610 122.160 120.570 -0.035 0.000 2.569 217 I HA 0.477 4.647 4.170 0.000 0.000 0.296 217 I C 0.357 176.427 176.117 -0.079 0.000 1.028 217 I CA -0.984 60.291 61.300 -0.042 0.000 1.082 217 I CB 1.940 39.903 38.000 -0.062 0.000 1.264 217 I HN 0.715 nan 8.210 nan 0.000 0.429 218 R N 1.974 122.444 120.500 -0.049 0.000 2.241 218 R HA 0.035 4.376 4.340 0.000 0.000 0.224 218 R C 0.492 176.496 176.300 -0.494 0.000 1.101 218 R CA 1.125 57.131 56.100 -0.156 0.000 0.995 218 R CB -0.288 29.971 30.300 -0.068 0.000 0.870 218 R HN 0.705 nan 8.270 nan 0.000 0.463 219 H N -1.269 117.566 119.070 -0.392 0.000 4.047 219 H HA 0.077 4.633 4.556 0.000 0.000 0.380 219 H C 0.386 174.999 175.328 -1.191 0.000 1.508 219 H CA -0.295 55.213 56.048 -0.899 0.000 1.245 219 H CB 0.394 29.900 29.762 -0.427 0.000 0.942 219 H HN 0.040 nan 8.280 nan 0.000 0.775 220 D N 0.211 120.178 120.400 -0.722 0.000 2.389 220 D HA 0.117 4.757 4.640 0.000 0.000 0.206 220 D C 0.007 176.214 176.300 -0.155 0.000 1.055 220 D CA 0.348 54.113 54.000 -0.391 0.000 0.856 220 D CB 1.116 41.852 40.800 -0.106 0.000 0.957 220 D HN 0.205 nan 8.370 nan 0.000 0.509 221 K N 0.010 120.333 120.400 -0.129 0.000 2.533 221 K HA 0.477 4.797 4.320 0.000 0.000 0.272 221 K C -0.513 176.041 176.600 -0.077 0.000 0.985 221 K CA -1.061 55.177 56.287 -0.081 0.000 0.876 221 K CB 3.116 35.582 32.500 -0.058 0.000 1.452 221 K HN -0.075 nan 8.250 nan 0.000 0.439 222 V N -1.380 118.491 119.914 -0.072 0.000 3.336 222 V HA 0.438 4.558 4.120 0.000 0.000 0.314 222 V C 0.586 176.628 176.094 -0.086 0.000 1.088 222 V CA -0.947 61.309 62.300 -0.073 0.000 1.033 222 V CB 0.172 31.947 31.823 -0.080 0.000 1.181 222 V HN 0.826 nan 8.190 nan 0.000 0.449 223 L N -0.944 120.224 121.223 -0.092 0.000 3.833 223 L HA -0.221 4.119 4.340 0.000 0.000 0.447 223 L C 1.873 178.765 176.870 0.037 0.000 1.213 223 L CA 0.658 55.439 54.840 -0.097 0.000 0.801 223 L CB -1.345 40.448 42.059 -0.444 0.000 1.676 223 L HN 0.808 nan 8.230 nan 0.000 0.883 224 R N 0.187 120.697 120.500 0.016 0.000 2.241 224 R HA -0.120 4.220 4.340 0.000 0.000 0.224 224 R C 2.184 178.506 176.300 0.037 0.000 1.101 224 R CA 1.434 57.531 56.100 -0.006 0.000 0.995 224 R CB -0.125 30.120 30.300 -0.092 0.000 0.870 224 R HN 0.774 nan 8.270 nan 0.000 0.463 225 S N -0.354 115.419 115.700 0.121 0.000 2.496 225 S HA 0.031 4.502 4.470 0.000 0.000 0.224 225 S C 0.664 175.289 174.600 0.042 0.000 0.996 225 S CA -0.043 58.197 58.200 0.067 0.000 0.927 225 S CB -0.070 63.166 63.200 0.062 0.000 0.774 225 S HN -0.029 nan 8.310 nan 0.000 0.524 226 F N 2.934 122.824 119.950 -0.100 0.000 2.373 226 F HA 0.367 4.894 4.527 0.000 0.000 0.302 226 F C 1.130 176.817 175.800 -0.189 0.000 1.247 226 F CA -1.545 56.366 58.000 -0.149 0.000 1.169 226 F CB 0.050 38.975 39.000 -0.126 0.000 1.309 226 F HN 0.067 nan 8.300 nan 0.000 0.537 227 D N 0.125 120.453 120.400 -0.120 0.000 2.423 227 D HA -0.052 4.588 4.640 0.000 0.000 0.238 227 D C 1.203 177.474 176.300 -0.049 0.000 1.142 227 D CA 0.546 54.432 54.000 -0.190 0.000 0.884 227 D CB 1.178 41.723 40.800 -0.426 0.000 1.199 227 D HN 0.595 nan 8.370 nan 0.000 0.438 228 S N 3.685 119.364 115.700 -0.036 0.000 2.374 228 S HA -0.298 4.172 4.470 0.000 0.000 0.227 228 S C 2.117 176.716 174.600 -0.002 0.000 1.037 228 S CA 1.337 59.530 58.200 -0.012 0.000 1.024 228 S CB -0.353 62.843 63.200 -0.007 0.000 0.861 228 S HN 0.719 nan 8.310 nan 0.000 0.456 229 M N 0.660 120.265 119.600 0.008 0.000 2.086 229 M HA -0.059 4.421 4.480 0.000 0.000 0.261 229 M C 1.844 178.152 176.300 0.013 0.000 1.067 229 M CA 1.645 56.957 55.300 0.020 0.000 1.116 229 M CB -0.280 32.347 32.600 0.045 0.000 1.348 229 M HN 0.280 nan 8.290 nan 0.000 0.407 230 I N -0.324 120.256 120.570 0.017 0.000 2.179 230 I HA -0.252 3.919 4.170 0.000 0.000 0.242 230 I C 2.662 178.755 176.117 -0.040 0.000 1.088 230 I CA 1.508 62.808 61.300 0.001 0.000 1.357 230 I CB -1.693 36.332 38.000 0.041 0.000 1.051 230 I HN 0.394 nan 8.210 nan 0.000 0.409 231 S N 0.332 116.015 115.700 -0.028 0.000 2.365 231 S HA -0.209 4.261 4.470 0.000 0.000 0.225 231 S C 2.097 176.672 174.600 -0.043 0.000 1.039 231 S CA 2.492 60.664 58.200 -0.047 0.000 1.033 231 S CB -0.267 62.917 63.200 -0.025 0.000 0.887 231 S HN 0.509 nan 8.310 nan 0.000 0.447 232 T N 1.431 115.970 114.554 -0.024 0.000 2.737 232 T HA -0.059 4.291 4.350 0.000 0.000 0.265 232 T C 1.779 176.469 174.700 -0.018 0.000 1.038 232 T CA 1.607 63.697 62.100 -0.016 0.000 1.144 232 T CB -0.685 68.181 68.868 -0.004 0.000 0.866 232 T HN 0.571 nan 8.240 nan 0.000 0.434 233 N N 0.117 118.806 118.700 -0.018 0.000 2.142 233 N HA -0.082 4.658 4.740 0.000 0.000 0.186 233 N C 2.071 177.564 175.510 -0.029 0.000 1.023 233 N CA 1.067 54.106 53.050 -0.019 0.000 0.852 233 N CB -0.659 37.820 38.487 -0.014 0.000 0.998 233 N HN 0.377 nan 8.380 nan 0.000 0.424 234 C N -0.273 118.999 119.300 -0.046 0.000 2.429 234 C HA -0.074 4.386 4.460 0.000 0.000 0.277 234 C C 2.519 177.483 174.990 -0.043 0.000 1.262 234 C CA 1.678 60.661 59.018 -0.058 0.000 1.733 234 C CB -1.519 26.156 27.740 -0.109 0.000 2.010 234 C HN 0.526 nan 8.230 nan 0.000 0.483 235 T N 0.445 114.972 114.554 -0.045 0.000 2.746 235 T HA -0.172 4.178 4.350 0.000 0.000 0.267 235 T C 1.578 176.265 174.700 -0.023 0.000 1.039 235 T CA 1.926 64.004 62.100 -0.036 0.000 1.142 235 T CB -0.360 68.486 68.868 -0.037 0.000 0.866 235 T HN 0.696 nan 8.240 nan 0.000 0.444 236 E N 0.570 120.759 120.200 -0.019 0.000 2.072 236 E HA -0.118 4.232 4.350 0.000 0.000 0.191 236 E C 2.502 179.094 176.600 -0.014 0.000 0.985 236 E CA 0.734 57.126 56.400 -0.014 0.000 0.801 236 E CB -0.013 29.681 29.700 -0.011 0.000 0.750 236 E HN 0.419 nan 8.360 nan 0.000 0.452 237 E N 0.653 120.846 120.200 -0.012 0.000 2.077 237 E HA -0.168 4.182 4.350 0.000 0.000 0.193 237 E C 2.182 178.784 176.600 0.003 0.000 0.989 237 E CA 0.567 56.965 56.400 -0.003 0.000 0.800 237 E CB -0.164 29.541 29.700 0.009 0.000 0.746 237 E HN 0.172 nan 8.360 nan 0.000 0.452 238 L N 1.656 122.880 121.223 0.003 0.000 2.013 238 L HA -0.224 4.116 4.340 0.000 0.000 0.212 238 L C 2.175 179.040 176.870 -0.008 0.000 1.073 238 L CA 1.760 56.603 54.840 0.005 0.000 0.753 238 L CB -1.234 40.821 42.059 -0.005 0.000 0.890 238 L HN 0.215 nan 8.230 nan 0.000 0.432 239 E N -0.778 119.414 120.200 -0.013 0.000 2.028 239 E HA -0.197 4.153 4.350 0.000 0.000 0.191 239 E C 1.884 178.471 176.600 -0.022 0.000 0.988 239 E CA 1.039 57.429 56.400 -0.016 0.000 0.799 239 E CB -0.159 29.534 29.700 -0.013 0.000 0.755 239 E HN 0.515 nan 8.360 nan 0.000 0.447 240 N N 1.187 119.874 118.700 -0.023 0.000 2.149 240 N HA -0.155 4.586 4.740 0.000 0.000 0.188 240 N C 1.644 177.128 175.510 -0.043 0.000 1.019 240 N CA 1.334 54.365 53.050 -0.032 0.000 0.857 240 N CB -0.339 38.128 38.487 -0.033 0.000 0.997 240 N HN 0.128 nan 8.380 nan 0.000 0.426 241 A N -0.036 122.761 122.820 -0.039 0.000 2.239 241 A HA 0.298 4.618 4.320 0.000 0.000 0.209 241 A C 1.483 179.027 177.584 -0.067 0.000 1.171 241 A CA 1.094 53.095 52.037 -0.059 0.000 0.768 241 A CB -0.495 18.479 19.000 -0.043 0.000 0.790 241 A HN 0.400 nan 8.150 nan 0.000 0.478 242 G N -2.068 106.703 108.800 -0.049 0.000 2.131 242 G HA2 -0.151 3.809 3.960 0.000 0.000 0.223 242 G HA3 -0.151 3.809 3.960 0.000 0.000 0.223 242 G C 0.000 174.880 174.900 -0.033 0.000 0.990 242 G CA -0.008 45.065 45.100 -0.045 0.000 0.671 242 G HN 0.765 nan 8.290 nan 0.000 0.521 243 V N 1.080 120.979 119.914 -0.025 0.000 2.385 243 V HA 0.400 4.521 4.120 0.000 0.000 0.269 243 V C 0.761 176.844 176.094 -0.018 0.000 1.043 243 V CA -0.409 61.880 62.300 -0.018 0.000 0.906 243 V CB 1.637 33.454 31.823 -0.010 0.000 0.995 243 V HN 0.442 nan 8.190 nan 0.000 0.467 244 E N 4.466 124.654 120.200 -0.019 0.000 2.220 244 E HA 0.228 4.578 4.350 0.000 0.000 0.272 244 E C -0.913 175.676 176.600 -0.019 0.000 1.099 244 E CA -0.372 56.017 56.400 -0.018 0.000 0.907 244 E CB 0.949 30.638 29.700 -0.018 0.000 1.022 244 E HN 0.527 nan 8.360 nan 0.000 0.428 245 V N 7.326 127.230 119.914 -0.016 0.000 2.334 245 V HA 0.151 4.271 4.120 0.000 0.000 0.267 245 V C 0.154 176.240 176.094 -0.014 0.000 1.040 245 V CA -0.502 61.785 62.300 -0.021 0.000 0.866 245 V CB 0.605 32.413 31.823 -0.024 0.000 1.019 245 V HN 0.636 nan 8.190 nan 0.000 0.468 246 L N 6.218 127.431 121.223 -0.017 0.000 2.312 246 L HA 0.389 4.729 4.340 0.000 0.000 0.287 246 L C 0.469 177.334 176.870 -0.009 0.000 1.091 246 L CA -0.159 54.679 54.840 -0.004 0.000 0.846 246 L CB 0.027 42.082 42.059 -0.007 0.000 1.219 246 L HN 0.543 nan 8.230 nan 0.000 0.439 247 K N 3.317 123.722 120.400 0.009 0.000 2.144 247 K HA 0.375 4.696 4.320 0.000 0.000 0.270 247 K C -0.215 176.439 176.600 0.090 0.000 1.005 247 K CA -0.729 55.538 56.287 -0.035 0.000 0.932 247 K CB 0.620 33.116 32.500 -0.007 0.000 1.021 247 K HN 0.253 nan 8.250 nan 0.000 0.462 248 F N -0.047 119.888 119.950 -0.024 0.000 3.027 248 F HA -0.272 4.255 4.527 0.000 0.000 0.276 248 F C -0.371 175.400 175.800 -0.048 0.000 0.967 248 F CA 0.418 58.380 58.000 -0.064 0.000 0.929 248 F CB -1.903 37.067 39.000 -0.049 0.000 0.873 248 F HN 0.314 nan 8.300 nan 0.000 0.787 249 S N -0.238 115.504 115.700 0.071 0.000 2.548 249 S HA 0.818 5.288 4.470 0.000 0.000 0.286 249 S C -0.414 174.209 174.600 0.038 0.000 1.098 249 S CA -0.999 57.233 58.200 0.055 0.000 0.930 249 S CB 3.077 66.301 63.200 0.040 0.000 1.070 249 S HN 0.275 nan 8.310 nan 0.000 0.480 250 Q N 0.743 120.572 119.800 0.049 0.000 2.389 250 Q HA 0.506 4.846 4.340 0.000 0.000 0.277 250 Q C -1.384 174.666 176.000 0.083 0.000 1.082 250 Q CA -0.960 54.883 55.803 0.068 0.000 0.810 250 Q CB 2.216 30.990 28.738 0.060 0.000 1.374 250 Q HN 0.447 nan 8.270 nan 0.000 0.422 251 V N 2.639 122.636 119.914 0.138 0.000 2.427 251 V HA 0.024 4.144 4.120 0.000 0.000 0.268 251 V C 0.820 177.002 176.094 0.146 0.000 1.046 251 V CA 0.201 62.594 62.300 0.154 0.000 0.970 251 V CB 0.851 32.838 31.823 0.274 0.000 1.001 251 V HN 0.693 nan 8.190 nan 0.000 0.476 252 K N 3.873 124.330 120.400 0.095 0.000 2.242 252 K HA 0.153 4.473 4.320 0.000 0.000 0.200 252 K C 0.583 177.232 176.600 0.082 0.000 1.050 252 K CA 0.903 57.235 56.287 0.076 0.000 0.981 252 K CB 0.357 32.887 32.500 0.050 0.000 0.795 252 K HN 0.828 nan 8.250 nan 0.000 0.477 253 E N -0.994 119.259 120.200 0.088 0.000 2.388 253 E HA 0.377 4.727 4.350 0.000 0.000 0.280 253 E C -1.717 174.931 176.600 0.080 0.000 1.019 253 E CA -0.865 55.585 56.400 0.085 0.000 0.806 253 E CB 1.602 31.335 29.700 0.055 0.000 1.246 253 E HN -0.154 nan 8.360 nan 0.000 0.443 254 V N 2.491 122.457 119.914 0.087 0.000 2.925 254 V HA 0.671 4.791 4.120 0.000 0.000 0.311 254 V C -1.208 174.916 176.094 0.050 0.000 1.104 254 V CA -0.709 61.629 62.300 0.063 0.000 0.954 254 V CB 2.067 33.942 31.823 0.087 0.000 1.022 254 V HN 0.791 nan 8.190 nan 0.000 0.427 255 K N 1.829 122.244 120.400 0.027 0.000 2.578 255 K HA 0.492 4.812 4.320 0.000 0.000 0.269 255 K C -1.475 175.129 176.600 0.008 0.000 0.941 255 K CA -1.227 55.073 56.287 0.021 0.000 0.847 255 K CB 2.199 34.711 32.500 0.020 0.000 1.397 255 K HN 0.605 nan 8.250 nan 0.000 0.422 256 K N 1.302 121.707 120.400 0.007 0.000 2.339 256 K HA 0.167 4.487 4.320 0.000 0.000 0.286 256 K C -0.118 176.480 176.600 -0.003 0.000 1.050 256 K CA -0.242 56.044 56.287 -0.001 0.000 0.956 256 K CB 0.708 33.209 32.500 0.001 0.000 0.990 256 K HN 0.748 nan 8.250 nan 0.000 0.475 257 T N -0.119 114.430 114.554 -0.009 0.000 2.855 257 T HA 0.259 4.609 4.350 0.000 0.000 0.275 257 T C 1.377 176.070 174.700 -0.010 0.000 1.022 257 T CA -0.977 61.118 62.100 -0.008 0.000 0.977 257 T CB 0.312 69.174 68.868 -0.011 0.000 1.559 257 T HN 0.486 nan 8.240 nan 0.000 0.600 258 L N 0.776 121.992 121.223 -0.010 0.000 2.023 258 L HA 0.039 4.379 4.340 0.000 0.000 0.205 258 L C 2.392 179.253 176.870 -0.015 0.000 1.073 258 L CA 1.443 56.277 54.840 -0.011 0.000 0.745 258 L CB -0.532 41.521 42.059 -0.010 0.000 0.900 258 L HN 0.838 nan 8.230 nan 0.000 0.435 259 S N -0.470 115.220 115.700 -0.017 0.000 2.699 259 S HA 0.503 4.973 4.470 0.000 0.000 0.251 259 S C 0.673 175.257 174.600 -0.026 0.000 1.179 259 S CA -0.070 58.117 58.200 -0.021 0.000 1.200 259 S CB -0.014 63.174 63.200 -0.020 0.000 0.848 259 S HN 0.640 nan 8.310 nan 0.000 0.472 260 G N 0.772 109.557 108.800 -0.026 0.000 2.952 260 G HA2 -0.058 3.902 3.960 0.000 0.000 0.226 260 G HA3 -0.058 3.902 3.960 0.000 0.000 0.226 260 G C -1.172 173.710 174.900 -0.029 0.000 1.462 260 G CA -0.297 44.784 45.100 -0.032 0.000 1.157 260 G HN 0.553 nan 8.290 nan 0.000 0.544 261 L N 1.156 122.358 121.223 -0.034 0.000 2.409 261 L HA 0.759 5.099 4.340 0.000 0.000 0.262 261 L C -0.376 176.475 176.870 -0.032 0.000 0.992 261 L CA -0.706 54.115 54.840 -0.033 0.000 0.817 261 L CB 1.998 44.030 42.059 -0.046 0.000 1.350 261 L HN 0.818 nan 8.230 nan 0.000 0.411 262 E N 2.004 122.190 120.200 -0.023 0.000 2.176 262 E HA 0.645 4.995 4.350 0.000 0.000 0.267 262 E C -1.814 174.774 176.600 -0.020 0.000 0.893 262 E CA -0.593 55.794 56.400 -0.020 0.000 0.761 262 E CB 1.782 31.476 29.700 -0.010 0.000 1.133 262 E HN 0.377 nan 8.360 nan 0.000 0.409 263 V N 3.544 123.441 119.914 -0.028 0.000 2.384 263 V HA 0.295 4.415 4.120 0.000 0.000 0.287 263 V C -0.351 175.737 176.094 -0.010 0.000 1.020 263 V CA -0.758 61.525 62.300 -0.028 0.000 0.850 263 V CB 1.639 33.422 31.823 -0.066 0.000 0.987 263 V HN 0.654 nan 8.190 nan 0.000 0.436 264 S N 7.118 122.823 115.700 0.009 0.000 2.438 264 S HA 0.740 5.210 4.470 0.000 0.000 0.293 264 S C -0.212 174.403 174.600 0.025 0.000 1.141 264 S CA -0.602 57.608 58.200 0.016 0.000 1.080 264 S CB 0.820 64.034 63.200 0.023 0.000 0.978 264 S HN 0.806 nan 8.310 nan 0.000 0.479 265 M N 2.141 121.752 119.600 0.019 0.000 2.591 265 M HA 0.815 5.295 4.480 0.000 0.000 0.306 265 M C -1.208 175.108 176.300 0.026 0.000 1.190 265 M CA -1.030 54.286 55.300 0.027 0.000 0.889 265 M CB 1.848 34.459 32.600 0.018 0.000 1.728 265 M HN 0.317 nan 8.290 nan 0.000 0.458 266 V N 1.435 121.369 119.914 0.033 0.000 2.459 266 V HA 0.655 4.775 4.120 0.000 0.000 0.295 266 V C -0.921 175.195 176.094 0.037 0.000 1.029 266 V CA 0.048 62.366 62.300 0.029 0.000 0.874 266 V CB 2.110 33.950 31.823 0.027 0.000 0.985 266 V HN 1.030 nan 8.190 nan 0.000 0.438 267 T N 6.725 121.300 114.554 0.035 0.000 2.770 267 T HA 0.681 5.031 4.350 0.000 0.000 0.283 267 T C -0.088 174.633 174.700 0.035 0.000 0.988 267 T CA 0.096 62.229 62.100 0.055 0.000 0.957 267 T CB 1.315 70.214 68.868 0.051 0.000 0.930 267 T HN 1.071 nan 8.240 nan 0.000 0.443 268 A N 3.808 126.658 122.820 0.050 0.000 2.938 268 A HA 0.591 4.911 4.320 0.000 0.000 0.344 268 A C -0.051 177.421 177.584 -0.186 0.000 1.142 268 A CA -0.527 51.491 52.037 -0.032 0.000 0.841 268 A CB 0.148 19.138 19.000 -0.017 0.000 1.083 268 A HN 0.666 nan 8.150 nan 0.000 0.479 269 V N 4.766 124.536 119.914 -0.239 0.000 2.455 269 V HA 0.227 4.347 4.120 0.000 0.000 0.273 269 V C -1.761 174.054 176.094 -0.465 0.000 1.045 269 V CA -1.354 60.625 62.300 -0.535 0.000 0.976 269 V CB 1.022 32.704 31.823 -0.235 0.000 0.993 269 V HN 0.732 nan 8.190 nan 0.000 0.475 270 P HA 0.066 nan 4.420 nan 0.000 0.264 270 P C 0.872 178.045 177.300 -0.213 0.000 1.183 270 P CA 1.233 64.133 63.100 -0.334 0.000 0.763 270 P CB 0.783 32.294 31.700 -0.314 0.000 0.807 271 G N 2.397 111.117 108.800 -0.133 0.000 2.176 271 G HA2 -0.225 3.735 3.960 0.000 0.000 0.253 271 G HA3 -0.225 3.735 3.960 0.000 0.000 0.253 271 G C 0.179 175.031 174.900 -0.079 0.000 0.979 271 G CA -0.096 44.951 45.100 -0.088 0.000 0.641 271 G HN 0.674 nan 8.290 nan 0.000 0.530 272 R N -1.214 119.226 120.500 -0.099 0.000 2.836 272 R HA 0.718 5.058 4.340 0.000 0.000 0.269 272 R C -0.797 175.461 176.300 -0.070 0.000 1.010 272 R CA -1.130 54.926 56.100 -0.074 0.000 0.930 272 R CB 1.026 31.282 30.300 -0.074 0.000 1.218 272 R HN 0.040 nan 8.270 nan 0.000 0.473 273 L N 1.850 123.045 121.223 -0.047 0.000 2.375 273 L HA 0.406 4.746 4.340 0.000 0.000 0.271 273 L C -1.988 174.861 176.870 -0.035 0.000 1.107 273 L CA -1.728 53.089 54.840 -0.038 0.000 0.806 273 L CB -0.038 42.006 42.059 -0.025 0.000 1.146 273 L HN 0.407 nan 8.230 nan 0.000 0.447 274 P HA 0.310 nan 4.420 nan 0.000 0.270 274 P C -1.361 175.933 177.300 -0.010 0.000 1.227 274 P CA -0.249 62.839 63.100 -0.019 0.000 0.788 274 P CB 0.613 32.305 31.700 -0.014 0.000 0.926 275 V N -2.079 117.835 119.914 -0.001 0.000 2.924 275 V HA 0.518 4.638 4.120 0.000 0.000 0.300 275 V C -0.885 175.214 176.094 0.008 0.000 1.227 275 V CA -0.798 61.503 62.300 0.003 0.000 0.954 275 V CB 2.062 33.886 31.823 0.002 0.000 1.055 275 V HN 0.301 nan 8.190 nan 0.000 0.429 276 M N 2.732 122.337 119.600 0.007 0.000 2.318 276 M HA 0.695 5.175 4.480 0.000 0.000 0.347 276 M C -0.235 176.070 176.300 0.008 0.000 1.175 276 M CA 0.332 55.638 55.300 0.010 0.000 1.075 276 M CB 1.685 34.291 32.600 0.009 0.000 1.614 276 M HN 1.040 nan 8.290 nan 0.000 0.456 277 T N 4.057 118.616 114.554 0.009 0.000 2.952 277 T HA 0.558 4.909 4.350 0.000 0.000 0.305 277 T C -0.575 174.127 174.700 0.003 0.000 1.064 277 T CA -0.731 61.372 62.100 0.005 0.000 1.008 277 T CB 1.599 70.470 68.868 0.005 0.000 1.078 277 T HN 0.432 nan 8.240 nan 0.000 0.459 278 M N 3.515 123.115 119.600 -0.000 0.000 2.129 278 M HA 0.482 4.962 4.480 0.000 0.000 0.348 278 M C -0.486 175.809 176.300 -0.009 0.000 1.116 278 M CA -0.653 54.645 55.300 -0.003 0.000 1.022 278 M CB 0.561 33.160 32.600 -0.002 0.000 1.599 278 M HN 0.502 nan 8.290 nan 0.000 0.449 279 I N 7.043 127.604 120.570 -0.015 0.000 2.307 279 I HA 0.307 4.477 4.170 0.000 0.000 0.289 279 I C -1.961 174.140 176.117 -0.026 0.000 1.021 279 I CA -1.491 59.795 61.300 -0.023 0.000 1.224 279 I CB 1.426 39.406 38.000 -0.033 0.000 1.376 279 I HN 0.313 nan 8.210 nan 0.000 0.470 280 P HA 0.233 nan 4.420 nan 0.000 0.284 280 P C -0.781 176.502 177.300 -0.028 0.000 1.287 280 P CA -0.186 62.901 63.100 -0.023 0.000 0.824 280 P CB 0.968 32.658 31.700 -0.017 0.000 1.180 281 D N -2.288 118.096 120.400 -0.027 0.000 2.751 281 D HA -0.110 4.530 4.640 0.000 0.000 0.233 281 D C -0.237 176.040 176.300 -0.039 0.000 1.149 281 D CA 0.588 54.569 54.000 -0.030 0.000 0.682 281 D CB -2.134 38.651 40.800 -0.026 0.000 1.068 281 D HN 0.088 nan 8.370 nan 0.000 0.429 282 V N 1.323 121.209 119.914 -0.046 0.000 2.427 282 V HA 0.002 4.122 4.120 0.000 0.000 0.268 282 V C 1.574 177.630 176.094 -0.064 0.000 1.046 282 V CA -0.043 62.221 62.300 -0.060 0.000 0.970 282 V CB 1.418 33.197 31.823 -0.074 0.000 1.001 282 V HN 0.034 nan 8.190 nan 0.000 0.476 283 D N 2.641 123.000 120.400 -0.068 0.000 2.348 283 D HA 0.033 4.673 4.640 0.000 0.000 0.216 283 D C 0.562 176.811 176.300 -0.086 0.000 0.970 283 D CA 0.960 54.915 54.000 -0.076 0.000 0.889 283 D CB 0.400 41.149 40.800 -0.084 0.000 0.912 283 D HN 0.726 nan 8.370 nan 0.000 0.524 284 C N -0.174 119.071 119.300 -0.092 0.000 3.193 284 C HA 0.394 4.854 4.460 0.000 0.000 0.443 284 C C -1.840 173.073 174.990 -0.129 0.000 0.949 284 C CA -1.413 57.545 59.018 -0.101 0.000 1.110 284 C CB -0.383 27.301 27.740 -0.093 0.000 1.558 284 C HN 0.053 nan 8.230 nan 0.000 0.643 285 L N 4.567 125.684 121.223 -0.176 0.000 2.289 285 L HA 0.896 5.236 4.340 0.000 0.000 0.285 285 L C -0.922 175.748 176.870 -0.333 0.000 1.049 285 L CA -0.125 54.535 54.840 -0.300 0.000 0.804 285 L CB 1.267 43.075 42.059 -0.418 0.000 1.195 285 L HN 0.738 nan 8.230 nan 0.000 0.428 286 L N 5.092 126.118 121.223 -0.328 0.000 2.349 286 L HA 0.436 4.776 4.340 0.000 0.000 0.278 286 L C -1.171 175.552 176.870 -0.245 0.000 0.996 286 L CA -0.048 54.660 54.840 -0.219 0.000 0.825 286 L CB 1.441 43.443 42.059 -0.095 0.000 1.243 286 L HN 0.551 nan 8.230 nan 0.000 0.412 287 W N 3.148 124.434 121.300 -0.024 0.000 2.335 287 W HA 0.601 5.261 4.660 0.000 0.000 0.306 287 W C 0.260 176.751 176.519 -0.046 0.000 1.216 287 W CA -0.547 56.779 57.345 -0.032 0.000 1.237 287 W CB 1.324 30.768 29.460 -0.028 0.000 1.243 287 W HN 0.592 nan 8.180 nan 0.000 0.493 288 A N 5.200 128.131 122.820 0.184 0.000 3.355 288 A HA 0.287 4.607 4.320 0.000 0.000 0.290 288 A C 0.161 177.782 177.584 0.063 0.000 0.973 288 A CA -0.458 51.614 52.037 0.059 0.000 0.933 288 A CB -0.642 18.338 19.000 -0.033 0.000 1.138 288 A HN 0.782 nan 8.150 nan 0.000 0.490 289 I N -2.829 117.799 120.570 0.097 0.000 3.904 289 I HA 0.614 4.785 4.170 0.000 0.000 0.333 289 I C 0.537 176.670 176.117 0.028 0.000 1.361 289 I CA 0.177 61.518 61.300 0.067 0.000 1.116 289 I CB 0.242 38.288 38.000 0.075 0.000 1.028 289 I HN 0.517 nan 8.210 nan 0.000 0.398 290 G N 1.336 110.146 108.800 0.016 0.000 2.347 290 G HA2 0.085 4.045 3.960 0.000 0.000 0.477 290 G HA3 0.085 4.045 3.960 0.000 0.000 0.477 290 G C -1.403 173.508 174.900 0.018 0.000 1.349 290 G CA -1.090 44.021 45.100 0.019 0.000 1.000 290 G HN 0.174 nan 8.290 nan 0.000 0.605 291 R N -0.892 119.634 120.500 0.042 0.000 2.711 291 R HA 0.747 5.087 4.340 0.000 0.000 0.284 291 R C -0.691 175.643 176.300 0.056 0.000 0.968 291 R CA -0.759 55.370 56.100 0.049 0.000 0.924 291 R CB 2.058 32.401 30.300 0.072 0.000 1.162 291 R HN 0.529 nan 8.270 nan 0.000 0.465 292 V N 4.180 124.108 119.914 0.024 0.000 2.495 292 V HA 0.347 4.467 4.120 0.000 0.000 0.298 292 V C -2.045 174.045 176.094 -0.007 0.000 1.031 292 V CA -2.076 60.214 62.300 -0.016 0.000 0.871 292 V CB 2.158 33.956 31.823 -0.042 0.000 0.988 292 V HN 0.633 nan 8.190 nan 0.000 0.432 293 P HA 0.148 nan 4.420 nan 0.000 0.276 293 P C -0.880 176.417 177.300 -0.006 0.000 1.230 293 P CA -0.393 62.707 63.100 -0.001 0.000 0.776 293 P CB 0.595 32.277 31.700 -0.031 0.000 0.888 294 N N 2.436 121.149 118.700 0.023 0.000 2.663 294 N HA 0.097 4.837 4.740 0.000 0.000 0.250 294 N C 0.921 176.457 175.510 0.044 0.000 1.129 294 N CA 0.098 53.166 53.050 0.031 0.000 0.995 294 N CB -0.057 38.446 38.487 0.027 0.000 1.324 294 N HN 0.503 nan 8.380 nan 0.000 0.512 295 T N -2.785 111.794 114.554 0.042 0.000 2.993 295 T HA 0.132 4.482 4.350 0.000 0.000 0.260 295 T C 1.275 176.017 174.700 0.069 0.000 0.939 295 T CA -0.224 61.911 62.100 0.058 0.000 0.886 295 T CB 0.282 69.174 68.868 0.040 0.000 1.209 295 T HN 0.125 nan 8.240 nan 0.000 0.518 296 K N 1.637 122.071 120.400 0.055 0.000 2.360 296 K HA -0.054 4.266 4.320 0.000 0.000 0.201 296 K C 0.538 177.190 176.600 0.087 0.000 1.046 296 K CA 1.332 57.653 56.287 0.056 0.000 0.940 296 K CB -0.032 32.490 32.500 0.038 0.000 0.748 296 K HN 0.416 nan 8.250 nan 0.000 0.465 297 D N -0.252 120.233 120.400 0.142 0.000 2.479 297 D HA 0.078 4.718 4.640 0.000 0.000 0.218 297 D C 1.158 177.610 176.300 0.254 0.000 1.177 297 D CA 0.087 54.214 54.000 0.212 0.000 0.830 297 D CB 0.461 41.429 40.800 0.280 0.000 1.014 297 D HN 0.098 nan 8.370 nan 0.000 0.503 298 L N 0.851 122.178 121.223 0.173 0.000 2.418 298 L HA -0.036 4.304 4.340 0.000 0.000 0.218 298 L C 0.608 177.613 176.870 0.226 0.000 1.125 298 L CA 0.286 55.229 54.840 0.170 0.000 0.835 298 L CB -0.339 41.845 42.059 0.209 0.000 0.953 298 L HN -0.011 nan 8.230 nan 0.000 0.454 299 S N -0.638 115.160 115.700 0.163 0.000 3.524 299 S HA -0.215 4.255 4.470 0.000 0.000 0.377 299 S C 0.762 175.445 174.600 0.137 0.000 0.949 299 S CA 0.543 58.821 58.200 0.130 0.000 1.264 299 S CB -2.224 61.051 63.200 0.126 0.000 0.918 299 S HN 0.408 nan 8.310 nan 0.000 0.517 300 L N 1.401 122.681 121.223 0.094 0.000 1.994 300 L HA -0.220 4.120 4.340 0.000 0.000 0.208 300 L C 2.832 179.659 176.870 -0.072 0.000 1.071 300 L CA 1.886 56.709 54.840 -0.028 0.000 0.745 300 L CB -0.928 41.104 42.059 -0.045 0.000 0.892 300 L HN 0.799 nan 8.230 nan 0.000 0.431 301 N N 1.239 119.923 118.700 -0.027 0.000 2.144 301 N HA -0.302 4.438 4.740 0.000 0.000 0.195 301 N C 1.353 176.847 175.510 -0.026 0.000 1.006 301 N CA 1.765 54.799 53.050 -0.027 0.000 0.880 301 N CB -0.696 37.788 38.487 -0.005 0.000 1.018 301 N HN 0.446 nan 8.380 nan 0.000 0.443 302 K N 0.291 120.691 120.400 -0.001 0.000 2.589 302 K HA 0.043 4.363 4.320 0.000 0.000 0.195 302 K C 1.254 177.847 176.600 -0.012 0.000 1.040 302 K CA 0.551 56.846 56.287 0.014 0.000 0.950 302 K CB 0.063 32.598 32.500 0.058 0.000 0.781 302 K HN 0.365 nan 8.250 nan 0.000 0.486 303 L N -1.866 119.316 121.223 -0.068 0.000 3.327 303 L HA 0.151 4.491 4.340 0.000 0.000 0.299 303 L C 0.755 177.557 176.870 -0.114 0.000 1.201 303 L CA 0.110 54.886 54.840 -0.105 0.000 1.059 303 L CB 1.079 43.014 42.059 -0.206 0.000 1.488 303 L HN 0.322 nan 8.230 nan 0.000 0.609 304 G N 1.697 110.439 108.800 -0.098 0.000 2.136 304 G HA2 -0.271 3.690 3.960 0.000 0.000 0.242 304 G HA3 -0.271 3.690 3.960 0.000 0.000 0.242 304 G C 0.261 175.099 174.900 -0.103 0.000 0.989 304 G CA -0.103 44.948 45.100 -0.081 0.000 0.682 304 G HN 0.281 nan 8.290 nan 0.000 0.522 305 I N 1.158 121.635 120.570 -0.156 0.000 2.662 305 I HA 0.066 4.236 4.170 0.000 0.000 0.285 305 I C 1.187 177.248 176.117 -0.092 0.000 1.161 305 I CA 0.206 61.407 61.300 -0.165 0.000 1.415 305 I CB 0.628 38.466 38.000 -0.270 0.000 1.385 305 I HN 0.329 nan 8.210 nan 0.000 0.552 306 Q N 5.396 125.158 119.800 -0.065 0.000 2.421 306 Q HA 0.264 4.604 4.340 0.000 0.000 0.255 306 Q C -0.311 175.679 176.000 -0.016 0.000 1.013 306 Q CA 0.075 55.857 55.803 -0.034 0.000 0.895 306 Q CB 0.917 29.640 28.738 -0.025 0.000 1.271 306 Q HN 0.807 nan 8.270 nan 0.000 0.460 307 T N -0.540 114.012 114.554 -0.004 0.000 2.853 307 T HA 0.289 4.639 4.350 0.000 0.000 0.311 307 T C -0.931 173.780 174.700 0.019 0.000 1.307 307 T CA -1.067 61.041 62.100 0.014 0.000 1.019 307 T CB 1.311 70.181 68.868 0.004 0.000 1.264 307 T HN 0.692 nan 8.240 nan 0.000 0.497 308 D N 0.470 120.896 120.400 0.043 0.000 2.478 308 D HA 0.186 4.826 4.640 0.000 0.000 0.269 308 D C 0.543 176.854 176.300 0.018 0.000 1.232 308 D CA -0.265 53.761 54.000 0.044 0.000 1.059 308 D CB 0.419 41.276 40.800 0.096 0.000 1.104 308 D HN 0.612 nan 8.370 nan 0.000 0.566 309 D N -0.621 119.789 120.400 0.018 0.000 2.219 309 D HA -0.173 4.467 4.640 0.000 0.000 0.205 309 D C 1.261 177.546 176.300 -0.025 0.000 0.970 309 D CA 1.110 55.110 54.000 -0.000 0.000 0.851 309 D CB -0.331 40.473 40.800 0.006 0.000 0.943 309 D HN 0.409 nan 8.370 nan 0.000 0.488 310 K N -0.670 119.709 120.400 -0.036 0.000 2.459 310 K HA 0.227 4.547 4.320 0.000 0.000 0.193 310 K C 1.239 177.674 176.600 -0.275 0.000 1.030 310 K CA 0.573 56.783 56.287 -0.127 0.000 1.026 310 K CB 0.362 32.812 32.500 -0.083 0.000 0.809 310 K HN 0.349 nan 8.250 nan 0.000 0.504 311 G N 1.265 109.943 108.800 -0.204 0.000 2.201 311 G HA2 -0.216 3.744 3.960 0.000 0.000 0.212 311 G HA3 -0.216 3.744 3.960 0.000 0.000 0.212 311 G C -0.309 174.493 174.900 -0.164 0.000 0.994 311 G CA -0.300 44.692 45.100 -0.179 0.000 0.644 311 G HN 0.444 nan 8.290 nan 0.000 0.508 312 H N 0.365 119.443 119.070 0.013 0.000 2.871 312 H HA 0.492 5.048 4.556 0.000 0.000 0.355 312 H C 1.097 176.431 175.328 0.011 0.000 1.092 312 H CA 0.216 56.273 56.048 0.015 0.000 1.420 312 H CB 0.761 30.528 29.762 0.009 0.000 1.400 312 H HN 0.276 nan 8.280 nan 0.000 0.604 313 I N 3.779 124.435 120.570 0.143 0.000 2.441 313 I HA -0.003 4.167 4.170 0.000 0.000 0.287 313 I C 0.076 176.234 176.117 0.068 0.000 1.049 313 I CA -0.297 61.050 61.300 0.080 0.000 1.381 313 I CB 0.497 38.542 38.000 0.074 0.000 1.409 313 I HN 0.357 nan 8.210 nan 0.000 0.523 314 I N 7.233 127.826 120.570 0.038 0.000 2.519 314 I HA 0.323 4.493 4.170 0.000 0.000 0.287 314 I C 0.315 176.443 176.117 0.017 0.000 1.047 314 I CA -0.103 61.208 61.300 0.019 0.000 1.381 314 I CB 1.000 39.005 38.000 0.008 0.000 1.417 314 I HN 0.305 nan 8.210 nan 0.000 0.540 315 V N 1.763 121.681 119.914 0.007 0.000 3.206 315 V HA 0.673 4.794 4.120 0.000 0.000 0.305 315 V C -0.922 175.177 176.094 0.008 0.000 1.257 315 V CA -1.064 61.253 62.300 0.028 0.000 1.057 315 V CB 2.040 33.895 31.823 0.054 0.000 1.075 315 V HN 0.724 nan 8.190 nan 0.000 0.443 316 D N -0.236 120.194 120.400 0.050 0.000 2.549 316 D HA 0.283 4.923 4.640 0.000 0.000 0.270 316 D C 0.971 177.256 176.300 -0.026 0.000 1.181 316 D CA -0.049 53.972 54.000 0.035 0.000 1.070 316 D CB 0.438 41.314 40.800 0.126 0.000 1.154 316 D HN 0.840 nan 8.370 nan 0.000 0.602 317 E N -0.894 119.229 120.200 -0.128 0.000 2.333 317 E HA -0.191 4.159 4.350 0.000 0.000 0.200 317 E C 0.593 176.927 176.600 -0.442 0.000 1.010 317 E CA 1.041 57.245 56.400 -0.328 0.000 0.841 317 E CB -0.614 28.791 29.700 -0.492 0.000 0.757 317 E HN 0.381 nan 8.360 nan 0.000 0.508 318 F N 0.796 120.790 119.950 0.073 0.000 2.641 318 F HA 0.208 4.735 4.527 0.000 0.000 0.302 318 F C 0.291 176.162 175.800 0.118 0.000 1.098 318 F CA -0.320 57.732 58.000 0.086 0.000 1.318 318 F CB 0.473 39.517 39.000 0.074 0.000 1.035 318 F HN -0.199 nan 8.300 nan 0.000 0.551 319 Q N -0.649 119.282 119.800 0.218 0.000 2.489 319 Q HA -0.227 4.113 4.340 0.000 0.000 0.259 319 Q C -0.851 175.339 176.000 0.317 0.000 0.934 319 Q CA 0.430 56.368 55.803 0.226 0.000 1.131 319 Q CB -2.433 26.439 28.738 0.223 0.000 1.472 319 Q HN 0.400 nan 8.270 nan 0.000 0.560 320 N N 1.631 120.513 118.700 0.303 0.000 2.499 320 N HA 0.220 4.960 4.740 0.000 0.000 0.281 320 N C 0.717 176.289 175.510 0.103 0.000 1.098 320 N CA 0.575 53.777 53.050 0.253 0.000 0.979 320 N CB 1.118 39.738 38.487 0.220 0.000 1.121 320 N HN 0.348 nan 8.380 nan 0.000 0.466 321 T N -1.165 113.392 114.554 0.006 0.000 2.771 321 T HA 0.088 4.438 4.350 0.000 0.000 0.290 321 T C 1.284 175.961 174.700 -0.040 0.000 1.005 321 T CA -0.656 61.429 62.100 -0.024 0.000 0.944 321 T CB 0.372 69.194 68.868 -0.076 0.000 1.147 321 T HN 0.526 nan 8.240 nan 0.000 0.534 322 N N -0.443 118.228 118.700 -0.048 0.000 2.515 322 N HA 0.014 4.754 4.740 0.000 0.000 0.191 322 N C -0.426 175.045 175.510 -0.065 0.000 1.182 322 N CA -0.094 52.929 53.050 -0.044 0.000 0.879 322 N CB -0.353 38.110 38.487 -0.041 0.000 0.984 322 N HN 0.386 nan 8.380 nan 0.000 0.453 323 V N 0.605 120.459 119.914 -0.099 0.000 2.577 323 V HA 0.210 4.330 4.120 0.000 0.000 0.303 323 V C 0.202 176.210 176.094 -0.143 0.000 1.042 323 V CA -1.202 61.028 62.300 -0.116 0.000 0.872 323 V CB 2.069 33.802 31.823 -0.150 0.000 0.998 323 V HN 0.035 nan 8.190 nan 0.000 0.423 324 K N 2.331 122.668 120.400 -0.105 0.000 2.518 324 K HA 0.254 4.574 4.320 0.000 0.000 0.276 324 K C 1.311 177.818 176.600 -0.157 0.000 0.974 324 K CA 1.143 57.366 56.287 -0.108 0.000 0.986 324 K CB 0.263 32.734 32.500 -0.049 0.000 0.901 324 K HN 1.233 nan 8.250 nan 0.000 0.497 325 G N 1.883 110.564 108.800 -0.198 0.000 2.168 325 G HA2 -0.270 3.690 3.960 0.000 0.000 0.263 325 G HA3 -0.270 3.690 3.960 0.000 0.000 0.263 325 G C 0.030 174.718 174.900 -0.354 0.000 0.977 325 G CA 0.182 45.184 45.100 -0.164 0.000 0.659 325 G HN 0.541 nan 8.290 nan 0.000 0.533 326 I N -0.324 119.837 120.570 -0.682 0.000 2.534 326 I HA 0.567 4.737 4.170 0.000 0.000 0.288 326 I C -0.273 175.446 176.117 -0.662 0.000 1.077 326 I CA -1.202 59.806 61.300 -0.487 0.000 1.051 326 I CB 1.621 39.498 38.000 -0.205 0.000 1.234 326 I HN 0.058 nan 8.210 nan 0.000 0.425 327 Y N 3.926 124.323 120.300 0.161 0.000 2.662 327 Y HA 0.901 5.451 4.550 0.000 0.000 0.335 327 Y C 0.033 176.013 175.900 0.133 0.000 1.066 327 Y CA -1.270 56.916 58.100 0.144 0.000 1.116 327 Y CB 1.769 40.333 38.460 0.173 0.000 1.308 327 Y HN 0.545 nan 8.280 nan 0.000 0.502 328 A N 0.629 123.624 122.820 0.292 0.000 2.540 328 A HA 0.762 5.082 4.320 0.000 0.000 0.297 328 A C -1.600 176.090 177.584 0.175 0.000 1.056 328 A CA -0.525 51.631 52.037 0.198 0.000 0.700 328 A CB 1.061 20.146 19.000 0.143 0.000 1.280 328 A HN 1.218 nan 8.150 nan 0.000 0.398 329 V N -0.576 119.429 119.914 0.151 0.000 3.114 329 V HA 1.032 5.152 4.120 0.000 0.000 0.308 329 V C 0.328 176.493 176.094 0.118 0.000 1.168 329 V CA 0.188 62.573 62.300 0.143 0.000 1.015 329 V CB 0.988 32.895 31.823 0.140 0.000 1.050 329 V HN 2.968 nan 8.190 nan 0.000 0.433 330 G N 2.266 111.138 108.800 0.121 0.000 2.526 330 G HA2 -0.099 3.862 3.960 0.000 0.000 0.250 330 G HA3 -0.099 3.862 3.960 0.000 0.000 0.250 330 G C -0.222 174.738 174.900 0.100 0.000 1.289 330 G CA 0.392 45.553 45.100 0.101 0.000 0.947 330 G HN 0.993 nan 8.290 nan 0.000 0.517 331 D N -0.717 119.740 120.400 0.095 0.000 2.178 331 D HA -0.032 4.608 4.640 0.000 0.000 0.201 331 D C 2.498 178.880 176.300 0.137 0.000 0.980 331 D CA 1.372 55.434 54.000 0.103 0.000 0.842 331 D CB -0.142 40.719 40.800 0.101 0.000 0.948 331 D HN 0.568 nan 8.370 nan 0.000 0.472 332 V N -0.008 119.984 119.914 0.129 0.000 2.568 332 V HA -0.263 3.857 4.120 0.000 0.000 0.253 332 V C 1.806 178.018 176.094 0.196 0.000 1.072 332 V CA 1.502 63.896 62.300 0.156 0.000 1.084 332 V CB -0.279 31.610 31.823 0.110 0.000 0.676 332 V HN 0.340 nan 8.190 nan 0.000 0.469 333 C N 0.314 119.688 119.300 0.123 0.000 2.594 333 C HA 0.396 4.856 4.460 0.000 0.000 0.265 333 C C 2.156 177.090 174.990 -0.094 0.000 1.351 333 C CA 0.258 59.312 59.018 0.061 0.000 1.744 333 C CB -0.966 26.795 27.740 0.035 0.000 1.890 333 C HN 0.877 nan 8.230 nan 0.000 0.551 334 G N 1.086 109.802 108.800 -0.141 0.000 2.189 334 G HA2 -0.307 3.653 3.960 0.000 0.000 0.267 334 G HA3 -0.307 3.653 3.960 0.000 0.000 0.267 334 G C 0.110 174.840 174.900 -0.284 0.000 0.975 334 G CA 0.746 45.551 45.100 -0.491 0.000 0.644 334 G HN 0.624 nan 8.290 nan 0.000 0.537 335 K N 0.171 120.482 120.400 -0.149 0.000 2.274 335 K HA 0.627 4.947 4.320 0.000 0.000 0.262 335 K C 0.506 177.132 176.600 0.043 0.000 0.961 335 K CA 0.019 56.249 56.287 -0.095 0.000 0.833 335 K CB 1.087 33.474 32.500 -0.189 0.000 1.102 335 K HN 1.713 nan 8.250 nan 0.000 0.436 336 A N 4.424 127.275 122.820 0.052 0.000 1.977 336 A HA -0.114 4.206 4.320 0.000 0.000 0.256 336 A C -0.483 177.154 177.584 0.088 0.000 1.365 336 A CA 0.204 52.294 52.037 0.089 0.000 0.721 336 A CB -1.902 17.209 19.000 0.185 0.000 1.192 336 A HN 0.767 nan 8.150 nan 0.000 0.289 337 L N 2.250 123.525 121.223 0.087 0.000 2.387 337 L HA 0.494 4.834 4.340 0.000 0.000 0.267 337 L C 0.034 176.975 176.870 0.117 0.000 1.197 337 L CA 0.139 55.048 54.840 0.114 0.000 1.070 337 L CB -0.364 41.786 42.059 0.152 0.000 1.349 337 L HN 0.579 nan 8.230 nan 0.000 0.422 338 L N 0.687 121.955 121.223 0.076 0.000 2.455 338 L HA 0.277 4.617 4.340 0.000 0.000 0.264 338 L C 1.201 178.098 176.870 0.045 0.000 0.968 338 L CA -0.296 54.575 54.840 0.051 0.000 0.827 338 L CB 2.332 44.392 42.059 0.000 0.000 1.317 338 L HN 0.129 nan 8.230 nan 0.000 0.407 339 T N 1.951 116.534 114.554 0.048 0.000 2.737 339 T HA -0.052 4.298 4.350 0.000 0.000 0.269 339 T C -0.720 173.994 174.700 0.025 0.000 1.040 339 T CA 1.917 64.040 62.100 0.039 0.000 1.142 339 T CB -0.287 68.600 68.868 0.032 0.000 0.861 339 T HN 0.509 nan 8.240 nan 0.000 0.456 340 P HA 0.002 nan 4.420 nan 0.000 0.217 340 P C 1.630 178.915 177.300 -0.026 0.000 1.150 340 P CA 0.790 63.887 63.100 -0.005 0.000 0.832 340 P CB -0.211 31.481 31.700 -0.013 0.000 0.787 341 V N 0.959 120.852 119.914 -0.034 0.000 2.343 341 V HA -0.220 3.900 4.120 0.000 0.000 0.247 341 V C 2.882 178.959 176.094 -0.030 0.000 1.051 341 V CA 2.190 64.445 62.300 -0.076 0.000 1.036 341 V CB -1.683 30.108 31.823 -0.053 0.000 0.654 341 V HN 0.104 nan 8.190 nan 0.000 0.451 342 A N 0.210 123.043 122.820 0.022 0.000 1.877 342 A HA -0.164 4.156 4.320 0.000 0.000 0.216 342 A C 2.163 179.769 177.584 0.036 0.000 1.186 342 A CA 1.784 53.850 52.037 0.048 0.000 0.620 342 A CB -0.485 18.549 19.000 0.057 0.000 0.822 342 A HN 0.385 nan 8.150 nan 0.000 0.443 343 I N 0.071 120.656 120.570 0.025 0.000 2.099 343 I HA -0.300 3.870 4.170 0.000 0.000 0.239 343 I C 3.026 179.152 176.117 0.015 0.000 1.066 343 I CA 1.689 63.004 61.300 0.025 0.000 1.324 343 I CB -1.723 36.290 38.000 0.023 0.000 1.037 343 I HN 0.381 nan 8.210 nan 0.000 0.401 344 A N 0.968 123.781 122.820 -0.012 0.000 1.873 344 A HA -0.214 4.106 4.320 0.000 0.000 0.218 344 A C 2.585 180.160 177.584 -0.015 0.000 1.193 344 A CA 2.705 54.726 52.037 -0.027 0.000 0.629 344 A CB -1.052 17.899 19.000 -0.083 0.000 0.826 344 A HN 0.470 nan 8.150 nan 0.000 0.447 345 A N -0.693 122.112 122.820 -0.025 0.000 1.883 345 A HA 0.078 4.398 4.320 0.000 0.000 0.217 345 A C 2.473 180.095 177.584 0.062 0.000 1.186 345 A CA 2.145 54.198 52.037 0.027 0.000 0.624 345 A CB -1.512 17.538 19.000 0.084 0.000 0.822 345 A HN 0.841 nan 8.150 nan 0.000 0.444 346 G N -0.747 108.091 108.800 0.064 0.000 2.440 346 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 346 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 346 G C 1.800 176.738 174.900 0.064 0.000 1.154 346 G CA 1.000 46.148 45.100 0.080 0.000 0.767 346 G HN 0.574 nan 8.290 nan 0.000 0.552 347 R N 0.005 120.534 120.500 0.048 0.000 2.062 347 R HA 0.023 4.363 4.340 0.000 0.000 0.231 347 R C 2.682 179.032 176.300 0.083 0.000 1.136 347 R CA 1.094 57.219 56.100 0.041 0.000 0.948 347 R CB -0.194 30.150 30.300 0.073 0.000 0.845 347 R HN 0.069 nan 8.270 nan 0.000 0.430 348 K N 0.908 121.375 120.400 0.112 0.000 2.127 348 K HA -0.192 4.128 4.320 0.000 0.000 0.208 348 K C 2.038 178.679 176.600 0.068 0.000 1.047 348 K CA 1.067 57.431 56.287 0.127 0.000 0.927 348 K CB -0.547 31.995 32.500 0.070 0.000 0.716 348 K HN 0.106 nan 8.250 nan 0.000 0.450 349 L N 0.954 122.184 121.223 0.011 0.000 1.994 349 L HA -0.113 4.227 4.340 0.000 0.000 0.208 349 L C 2.227 178.956 176.870 -0.236 0.000 1.071 349 L CA 2.160 56.940 54.840 -0.101 0.000 0.745 349 L CB -1.042 40.971 42.059 -0.078 0.000 0.892 349 L HN 0.168 nan 8.230 nan 0.000 0.431 350 A N -1.211 121.511 122.820 -0.164 0.000 1.892 350 A HA -0.300 4.020 4.320 0.000 0.000 0.218 350 A C 2.268 179.720 177.584 -0.220 0.000 1.188 350 A CA 2.043 53.979 52.037 -0.168 0.000 0.631 350 A CB -1.109 17.808 19.000 -0.138 0.000 0.822 350 A HN 0.706 nan 8.150 nan 0.000 0.447 351 H N -1.018 117.989 119.070 -0.105 0.000 2.353 351 H HA -0.111 4.446 4.556 0.000 0.000 0.300 351 H C 2.314 177.521 175.328 -0.202 0.000 1.090 351 H CA 1.861 57.842 56.048 -0.113 0.000 1.327 351 H CB -0.195 29.531 29.762 -0.061 0.000 1.383 351 H HN 0.596 nan 8.280 nan 0.000 0.508 352 R N 0.718 121.151 120.500 -0.111 0.000 2.061 352 R HA -0.071 4.269 4.340 0.000 0.000 0.230 352 R C 2.542 178.576 176.300 -0.443 0.000 1.140 352 R CA 1.072 57.056 56.100 -0.194 0.000 0.940 352 R CB -0.255 29.964 30.300 -0.135 0.000 0.839 352 R HN 0.177 nan 8.270 nan 0.000 0.429 353 L N -0.382 120.403 121.223 -0.729 0.000 2.131 353 L HA -0.114 4.226 4.340 0.000 0.000 0.210 353 L C 1.568 177.534 176.870 -1.506 0.000 1.092 353 L CA 1.129 55.226 54.840 -1.238 0.000 0.759 353 L CB -0.190 40.732 42.059 -1.895 0.000 0.903 353 L HN 0.239 nan 8.230 nan 0.000 0.435 354 F N -1.633 117.888 119.950 -0.714 0.000 2.727 354 F HA 0.118 4.646 4.527 0.000 0.000 0.302 354 F C 2.166 177.512 175.800 -0.756 0.000 1.107 354 F CA -0.078 57.477 58.000 -0.741 0.000 1.277 354 F CB 0.120 38.826 39.000 -0.491 0.000 1.079 354 F HN -0.058 nan 8.300 nan 0.000 0.594 355 E N -0.946 119.000 120.200 -0.424 0.000 2.498 355 E HA 0.029 4.380 4.350 0.000 0.000 0.203 355 E C -0.403 176.151 176.600 -0.077 0.000 1.013 355 E CA 0.038 56.353 56.400 -0.142 0.000 0.927 355 E CB 0.232 29.984 29.700 0.086 0.000 1.012 355 E HN 0.283 nan 8.360 nan 0.000 0.482 356 Y N -0.233 120.045 120.300 -0.037 0.000 3.477 356 Y HA -0.223 4.328 4.550 0.000 0.000 0.216 356 Y C -0.639 175.238 175.900 -0.038 0.000 1.296 356 Y CA 0.331 58.398 58.100 -0.055 0.000 1.535 356 Y CB -1.668 36.774 38.460 -0.029 0.000 1.482 356 Y HN -0.041 nan 8.280 nan 0.000 0.597 357 K N 1.773 122.186 120.400 0.021 0.000 2.244 357 K HA 0.160 4.480 4.320 0.000 0.000 0.263 357 K C 0.892 177.495 176.600 0.005 0.000 1.103 357 K CA 0.015 56.319 56.287 0.029 0.000 0.966 357 K CB 0.581 33.096 32.500 0.025 0.000 1.429 357 K HN 0.719 nan 8.250 nan 0.000 0.434 358 E N 0.782 120.979 120.200 -0.006 0.000 2.527 358 E HA -0.140 4.210 4.350 0.000 0.000 0.204 358 E C -0.363 176.227 176.600 -0.017 0.000 1.132 358 E CA 0.896 57.251 56.400 -0.076 0.000 0.905 358 E CB 0.115 29.765 29.700 -0.083 0.000 0.875 358 E HN 0.265 nan 8.360 nan 0.000 0.548 359 D N 0.224 120.677 120.400 0.088 0.000 2.502 359 D HA -0.024 4.616 4.640 0.000 0.000 0.232 359 D C -0.031 176.400 176.300 0.219 0.000 1.137 359 D CA 0.008 54.127 54.000 0.198 0.000 0.827 359 D CB 0.526 41.392 40.800 0.111 0.000 1.141 359 D HN 0.060 nan 8.370 nan 0.000 0.517 360 S N 1.772 117.560 115.700 0.147 0.000 2.507 360 S HA 0.102 4.572 4.470 0.000 0.000 0.299 360 S C -0.077 174.629 174.600 0.178 0.000 1.214 360 S CA 0.147 58.415 58.200 0.114 0.000 1.137 360 S CB -0.582 62.667 63.200 0.081 0.000 1.009 360 S HN 0.209 nan 8.310 nan 0.000 0.512 361 K N 3.405 123.870 120.400 0.107 0.000 2.568 361 K HA 0.472 4.792 4.320 0.000 0.000 0.273 361 K C -1.516 175.078 176.600 -0.010 0.000 0.951 361 K CA -1.169 55.148 56.287 0.051 0.000 0.854 361 K CB 0.540 32.979 32.500 -0.102 0.000 1.424 361 K HN 0.353 nan 8.250 nan 0.000 0.427 362 L N 2.053 123.264 121.223 -0.020 0.000 2.367 362 L HA 0.301 4.641 4.340 0.000 0.000 0.275 362 L C -0.626 176.185 176.870 -0.098 0.000 1.129 362 L CA 0.454 55.224 54.840 -0.117 0.000 0.839 362 L CB 0.875 42.767 42.059 -0.278 0.000 1.133 362 L HN 0.758 nan 8.230 nan 0.000 0.453 363 D N 3.395 123.723 120.400 -0.119 0.000 2.339 363 D HA 0.047 4.687 4.640 0.000 0.000 0.241 363 D C 0.133 176.374 176.300 -0.098 0.000 1.183 363 D CA 0.151 54.124 54.000 -0.045 0.000 0.859 363 D CB 0.481 41.258 40.800 -0.039 0.000 1.067 363 D HN 0.528 nan 8.370 nan 0.000 0.484 364 Y N 1.999 122.268 120.300 -0.052 0.000 2.546 364 Y HA 0.087 4.637 4.550 0.000 0.000 0.287 364 Y C 0.991 176.866 175.900 -0.040 0.000 1.158 364 Y CA -0.121 57.951 58.100 -0.046 0.000 1.307 364 Y CB 0.024 38.452 38.460 -0.054 0.000 1.036 364 Y HN 0.282 nan 8.280 nan 0.000 0.532 365 N N 0.959 119.708 118.700 0.081 0.000 2.503 365 N HA -0.020 4.720 4.740 0.000 0.000 0.267 365 N C -0.058 175.463 175.510 0.018 0.000 1.214 365 N CA 0.122 53.199 53.050 0.046 0.000 0.959 365 N CB 0.212 38.723 38.487 0.040 0.000 1.142 365 N HN 0.259 nan 8.380 nan 0.000 0.455 366 N N -0.380 118.331 118.700 0.019 0.000 2.727 366 N HA -0.205 4.535 4.740 0.000 0.000 0.249 366 N C -0.924 174.580 175.510 -0.010 0.000 1.048 366 N CA 0.243 53.300 53.050 0.011 0.000 0.714 366 N CB -1.192 37.308 38.487 0.021 0.000 0.959 366 N HN 0.499 nan 8.380 nan 0.000 0.544 367 I N 1.446 122.001 120.570 -0.025 0.000 2.352 367 I HA 0.243 4.413 4.170 0.000 0.000 0.290 367 I C -1.595 174.496 176.117 -0.044 0.000 1.036 367 I CA -1.745 59.527 61.300 -0.048 0.000 1.336 367 I CB 0.710 38.670 38.000 -0.066 0.000 1.407 367 I HN -0.053 nan 8.210 nan 0.000 0.497 368 P HA 0.253 nan 4.420 nan 0.000 0.279 368 P C -0.957 176.306 177.300 -0.062 0.000 1.239 368 P CA -0.257 62.823 63.100 -0.034 0.000 0.789 368 P CB 1.311 33.004 31.700 -0.012 0.000 0.933 369 T N 1.111 115.621 114.554 -0.073 0.000 2.912 369 T HA 0.381 4.731 4.350 0.000 0.000 0.299 369 T C -0.566 174.056 174.700 -0.131 0.000 1.052 369 T CA -0.486 61.546 62.100 -0.113 0.000 0.996 369 T CB 1.523 70.311 68.868 -0.135 0.000 1.070 369 T HN 0.122 nan 8.240 nan 0.000 0.465 370 V N 2.854 122.618 119.914 -0.250 0.000 2.448 370 V HA 0.490 4.611 4.120 0.000 0.000 0.295 370 V C -0.428 175.303 176.094 -0.605 0.000 1.025 370 V CA -0.703 61.331 62.300 -0.442 0.000 0.859 370 V CB 1.924 33.360 31.823 -0.645 0.000 0.988 370 V HN 0.754 nan 8.190 nan 0.000 0.431 371 V N 5.728 125.336 119.914 -0.512 0.000 2.347 371 V HA 0.374 4.495 4.120 0.000 0.000 0.280 371 V C -0.186 175.566 176.094 -0.570 0.000 1.021 371 V CA -0.384 61.656 62.300 -0.434 0.000 0.847 371 V CB 1.213 32.851 31.823 -0.308 0.000 0.990 371 V HN 0.733 nan 8.190 nan 0.000 0.444 372 F N 4.257 123.975 119.950 -0.386 0.000 2.662 372 F HA 0.182 4.710 4.527 0.000 0.000 0.365 372 F C 1.457 177.002 175.800 -0.424 0.000 1.222 372 F CA -0.070 57.475 58.000 -0.758 0.000 1.315 372 F CB -0.483 37.820 39.000 -1.162 0.000 1.711 372 F HN 0.594 nan 8.300 nan 0.000 0.651 373 S N -0.418 115.200 115.700 -0.137 0.000 2.521 373 S HA 0.453 4.924 4.470 0.000 0.000 0.278 373 S C -0.410 174.141 174.600 -0.082 0.000 1.140 373 S CA -0.756 57.428 58.200 -0.027 0.000 1.028 373 S CB 0.878 64.056 63.200 -0.036 0.000 1.203 373 S HN 0.378 nan 8.310 nan 0.000 0.491 374 H N 1.622 120.816 119.070 0.207 0.000 3.092 374 H HA 0.445 5.002 4.556 0.000 0.000 0.308 374 H C -2.682 172.691 175.328 0.075 0.000 1.047 374 H CA -1.305 54.840 56.048 0.161 0.000 1.466 374 H CB 1.324 31.125 29.762 0.064 0.000 1.597 374 H HN 0.504 nan 8.280 nan 0.000 0.512 375 P HA 0.146 nan 4.420 nan 0.000 0.274 375 P C -2.682 174.682 177.300 0.106 0.000 1.256 375 P CA -1.574 61.624 63.100 0.164 0.000 0.795 375 P CB 0.666 32.440 31.700 0.123 0.000 1.038 376 P HA 0.174 nan 4.420 nan 0.000 0.270 376 P C -0.260 176.964 177.300 -0.127 0.000 1.223 376 P CA 0.369 63.417 63.100 -0.087 0.000 0.785 376 P CB 0.617 32.207 31.700 -0.184 0.000 0.923 377 I N 0.654 121.092 120.570 -0.220 0.000 2.412 377 I HA 0.518 4.688 4.170 0.000 0.000 0.296 377 I C 0.866 176.895 176.117 -0.147 0.000 0.987 377 I CA -0.423 60.787 61.300 -0.149 0.000 1.180 377 I CB 1.902 39.798 38.000 -0.172 0.000 1.340 377 I HN 0.369 nan 8.210 nan 0.000 0.455 378 G N 2.636 111.407 108.800 -0.048 0.000 2.542 378 G HA2 0.649 4.609 3.960 0.000 0.000 0.311 378 G HA3 0.649 4.609 3.960 0.000 0.000 0.311 378 G C -1.171 173.766 174.900 0.062 0.000 1.298 378 G CA -0.345 44.737 45.100 -0.030 0.000 0.973 378 G HN 0.481 nan 8.290 nan 0.000 0.487 379 T N -0.562 114.031 114.554 0.065 0.000 2.942 379 T HA 0.618 4.968 4.350 0.000 0.000 0.327 379 T C -1.793 172.940 174.700 0.056 0.000 1.360 379 T CA -0.338 61.843 62.100 0.135 0.000 1.055 379 T CB 1.869 70.871 68.868 0.224 0.000 1.261 379 T HN 1.289 nan 8.240 nan 0.000 0.485 380 V N 2.987 122.937 119.914 0.061 0.000 3.098 380 V HA 0.809 4.929 4.120 0.000 0.000 0.294 380 V C 0.129 176.241 176.094 0.030 0.000 1.351 380 V CA 1.093 63.407 62.300 0.024 0.000 0.999 380 V CB 1.270 33.105 31.823 0.021 0.000 1.104 380 V HN 1.942 nan 8.190 nan 0.000 0.438 381 G N 3.917 112.742 108.800 0.042 0.000 2.681 381 G HA2 -0.107 3.853 3.960 0.000 0.000 0.220 381 G HA3 -0.107 3.853 3.960 0.000 0.000 0.220 381 G C -0.786 174.186 174.900 0.120 0.000 1.353 381 G CA -0.231 44.904 45.100 0.059 0.000 0.872 381 G HN 1.321 nan 8.290 nan 0.000 0.557 382 L N 0.840 122.140 121.223 0.128 0.000 2.439 382 L HA 0.560 4.901 4.340 0.000 0.000 0.261 382 L C 1.677 178.685 176.870 0.231 0.000 1.153 382 L CA -0.154 54.768 54.840 0.136 0.000 0.808 382 L CB 0.985 43.127 42.059 0.140 0.000 1.126 382 L HN 1.032 nan 8.230 nan 0.000 0.460 383 T N -3.125 111.479 114.554 0.083 0.000 2.874 383 T HA 0.103 4.453 4.350 0.000 0.000 0.281 383 T C 0.878 175.631 174.700 0.089 0.000 0.994 383 T CA -0.611 61.490 62.100 0.003 0.000 1.015 383 T CB 1.597 70.374 68.868 -0.151 0.000 1.028 383 T HN 0.760 nan 8.240 nan 0.000 0.523 384 E N 0.732 120.983 120.200 0.084 0.000 2.086 384 E HA -0.275 4.075 4.350 0.000 0.000 0.200 384 E C 1.277 177.911 176.600 0.057 0.000 1.012 384 E CA 2.209 58.652 56.400 0.070 0.000 0.812 384 E CB -0.260 29.467 29.700 0.044 0.000 0.743 384 E HN 0.812 nan 8.360 nan 0.000 0.453 385 D N 0.036 120.455 120.400 0.031 0.000 2.144 385 D HA -0.146 4.494 4.640 0.000 0.000 0.199 385 D C 1.679 178.010 176.300 0.052 0.000 0.984 385 D CA 1.185 55.203 54.000 0.031 0.000 0.834 385 D CB -0.072 40.729 40.800 0.002 0.000 0.955 385 D HN 0.328 nan 8.370 nan 0.000 0.465 386 E N 0.174 120.400 120.200 0.042 0.000 2.150 386 E HA -0.065 4.285 4.350 0.000 0.000 0.193 386 E C 2.065 178.740 176.600 0.125 0.000 0.985 386 E CA 0.787 57.220 56.400 0.055 0.000 0.814 386 E CB -0.014 29.701 29.700 0.024 0.000 0.752 386 E HN 0.260 nan 8.360 nan 0.000 0.466 387 A N 1.387 124.299 122.820 0.153 0.000 1.855 387 A HA -0.151 4.169 4.320 0.000 0.000 0.215 387 A C 2.173 179.905 177.584 0.247 0.000 1.191 387 A CA 0.900 53.094 52.037 0.262 0.000 0.613 387 A CB -0.603 18.523 19.000 0.210 0.000 0.829 387 A HN 0.129 nan 8.150 nan 0.000 0.442 388 I N -0.628 120.033 120.570 0.153 0.000 2.236 388 I HA -0.340 3.830 4.170 0.000 0.000 0.249 388 I C 2.618 178.792 176.117 0.096 0.000 1.102 388 I CA 1.940 63.308 61.300 0.113 0.000 1.365 388 I CB -0.520 37.525 38.000 0.076 0.000 1.051 388 I HN 0.596 nan 8.210 nan 0.000 0.420 389 H N 1.583 120.661 119.070 0.013 0.000 2.395 389 H HA -0.161 4.395 4.556 0.000 0.000 0.299 389 H C 2.147 177.431 175.328 -0.073 0.000 1.070 389 H CA 1.657 57.690 56.048 -0.024 0.000 1.356 389 H CB 0.167 29.910 29.762 -0.032 0.000 1.401 389 H HN 0.281 nan 8.280 nan 0.000 0.524 390 K N -0.721 119.598 120.400 -0.135 0.000 2.228 390 K HA -0.091 4.229 4.320 0.000 0.000 0.202 390 K C 0.911 177.161 176.600 -0.583 0.000 1.051 390 K CA 1.003 57.045 56.287 -0.408 0.000 0.960 390 K CB 0.223 32.437 32.500 -0.477 0.000 0.743 390 K HN 0.234 nan 8.250 nan 0.000 0.458 391 Y N -1.001 119.265 120.300 -0.057 0.000 2.589 391 Y HA 0.322 4.872 4.550 0.000 0.000 0.271 391 Y C 0.522 176.390 175.900 -0.052 0.000 1.107 391 Y CA 0.210 58.282 58.100 -0.047 0.000 1.273 391 Y CB 1.517 39.962 38.460 -0.024 0.000 1.266 391 Y HN 0.110 nan 8.280 nan 0.000 0.504 392 G N 0.528 109.383 108.800 0.093 0.000 2.885 392 G HA2 -0.139 3.821 3.960 0.000 0.000 0.685 392 G HA3 -0.139 3.821 3.960 0.000 0.000 0.685 392 G C 0.364 175.295 174.900 0.050 0.000 1.216 392 G CA -0.373 44.750 45.100 0.039 0.000 0.790 392 G HN 0.164 nan 8.290 nan 0.000 0.631 393 I N 0.899 121.487 120.570 0.029 0.000 2.121 393 I HA -0.317 3.853 4.170 0.000 0.000 0.243 393 I C 2.642 178.764 176.117 0.009 0.000 1.047 393 I CA 2.350 63.662 61.300 0.019 0.000 1.308 393 I CB -0.236 37.770 38.000 0.011 0.000 1.015 393 I HN 0.703 nan 8.210 nan 0.000 0.410 394 E N 0.882 121.086 120.200 0.007 0.000 2.160 394 E HA -0.179 4.172 4.350 0.000 0.000 0.195 394 E C 1.110 177.707 176.600 -0.004 0.000 0.991 394 E CA 1.108 57.507 56.400 -0.001 0.000 0.810 394 E CB -0.322 29.378 29.700 0.001 0.000 0.742 394 E HN 0.555 nan 8.360 nan 0.000 0.466 395 N N -0.485 118.222 118.700 0.011 0.000 2.346 395 N HA 0.115 4.855 4.740 0.000 0.000 0.225 395 N C -1.384 174.104 175.510 -0.037 0.000 1.144 395 N CA 0.020 53.069 53.050 -0.001 0.000 0.837 395 N CB 1.016 39.527 38.487 0.042 0.000 1.069 395 N HN -0.144 nan 8.380 nan 0.000 0.487 396 V N 0.405 120.296 119.914 -0.037 0.000 2.567 396 V HA 0.295 4.415 4.120 0.000 0.000 0.298 396 V C -0.417 175.623 176.094 -0.090 0.000 1.047 396 V CA -0.964 61.298 62.300 -0.063 0.000 0.880 396 V CB 2.249 34.065 31.823 -0.012 0.000 1.009 396 V HN 0.048 nan 8.190 nan 0.000 0.429 397 K N 2.820 123.138 120.400 -0.137 0.000 2.259 397 K HA 0.842 5.162 4.320 0.000 0.000 0.252 397 K C -0.501 175.916 176.600 -0.305 0.000 0.936 397 K CA -0.335 55.815 56.287 -0.228 0.000 0.810 397 K CB 2.189 34.531 32.500 -0.263 0.000 1.143 397 K HN 0.844 nan 8.250 nan 0.000 0.427 398 T N -0.174 114.151 114.554 -0.381 0.000 2.876 398 T HA 0.470 4.820 4.350 0.000 0.000 0.289 398 T C -1.050 173.360 174.700 -0.483 0.000 1.014 398 T CA -0.668 61.241 62.100 -0.318 0.000 0.986 398 T CB 0.641 69.432 68.868 -0.128 0.000 1.021 398 T HN 0.363 nan 8.240 nan 0.000 0.458 399 Y N 1.152 121.420 120.300 -0.053 0.000 2.446 399 Y HA 0.714 5.264 4.550 0.000 0.000 0.338 399 Y C 0.682 176.566 175.900 -0.026 0.000 1.055 399 Y CA -0.497 57.579 58.100 -0.042 0.000 1.101 399 Y CB 2.400 40.822 38.460 -0.064 0.000 1.221 399 Y HN 1.116 nan 8.280 nan 0.000 0.460 400 S N 0.245 116.032 115.700 0.145 0.000 2.543 400 S HA 0.729 5.199 4.470 0.000 0.000 0.274 400 S C -1.110 173.557 174.600 0.111 0.000 1.149 400 S CA -0.802 57.460 58.200 0.103 0.000 0.866 400 S CB 2.014 65.256 63.200 0.069 0.000 1.111 400 S HN 0.682 nan 8.310 nan 0.000 0.457 401 T N 0.231 114.861 114.554 0.127 0.000 2.900 401 T HA 0.785 5.135 4.350 0.000 0.000 0.303 401 T C -1.485 173.343 174.700 0.214 0.000 1.142 401 T CA -0.260 61.938 62.100 0.163 0.000 1.007 401 T CB 1.812 70.780 68.868 0.166 0.000 1.156 401 T HN 1.254 nan 8.240 nan 0.000 0.490 402 S N 2.588 118.429 115.700 0.236 0.000 2.547 402 S HA 0.917 5.387 4.470 0.000 0.000 0.281 402 S C -1.445 173.348 174.600 0.323 0.000 1.118 402 S CA -0.635 57.681 58.200 0.194 0.000 0.947 402 S CB 0.560 63.818 63.200 0.095 0.000 1.053 402 S HN 0.831 nan 8.310 nan 0.000 0.482 403 F N -0.233 119.753 119.950 0.061 0.000 2.858 403 F HA 0.637 5.164 4.527 0.000 0.000 0.319 403 F C -1.166 174.689 175.800 0.092 0.000 1.166 403 F CA -0.921 57.121 58.000 0.070 0.000 0.899 403 F CB 0.870 39.913 39.000 0.070 0.000 1.332 403 F HN 0.319 nan 8.300 nan 0.000 0.461 404 T N 2.519 117.177 114.554 0.173 0.000 2.743 404 T HA 0.485 4.835 4.350 0.000 0.000 0.292 404 T C -2.769 172.096 174.700 0.275 0.000 0.972 404 T CA -1.169 60.996 62.100 0.109 0.000 0.967 404 T CB 0.955 69.917 68.868 0.157 0.000 0.926 404 T HN 0.344 nan 8.240 nan 0.000 0.459 405 P HA -0.027 nan 4.420 nan 0.000 0.261 405 P C 1.165 178.653 177.300 0.314 0.000 1.173 405 P CA 0.070 63.364 63.100 0.325 0.000 0.760 405 P CB 0.293 32.128 31.700 0.224 0.000 0.783 406 M N 2.298 122.065 119.600 0.277 0.000 2.629 406 M HA -0.163 4.317 4.480 0.000 0.000 0.257 406 M C 1.442 177.835 176.300 0.155 0.000 1.071 406 M CA 1.464 56.877 55.300 0.187 0.000 1.077 406 M CB -0.866 31.812 32.600 0.129 0.000 1.423 406 M HN 0.271 nan 8.290 nan 0.000 0.508 407 Y N 0.657 120.989 120.300 0.052 0.000 2.352 407 Y HA -0.154 4.396 4.550 0.000 0.000 0.292 407 Y C 1.712 177.630 175.900 0.029 0.000 1.136 407 Y CA 1.619 59.725 58.100 0.010 0.000 1.227 407 Y CB -0.223 38.157 38.460 -0.133 0.000 0.991 407 Y HN 0.368 nan 8.280 nan 0.000 0.545 408 H N -0.219 118.938 119.070 0.145 0.000 2.526 408 H HA 0.329 4.885 4.556 0.000 0.000 0.274 408 H C 2.107 177.424 175.328 -0.017 0.000 0.999 408 H CA 0.452 56.532 56.048 0.052 0.000 1.157 408 H CB -0.054 29.816 29.762 0.179 0.000 1.407 408 H HN 0.536 nan 8.280 nan 0.000 0.568 409 A N 1.016 123.873 122.820 0.062 0.000 2.024 409 A HA -0.118 4.202 4.320 0.000 0.000 0.220 409 A C 2.163 179.712 177.584 -0.059 0.000 1.164 409 A CA 1.861 53.911 52.037 0.022 0.000 0.643 409 A CB -0.457 18.552 19.000 0.016 0.000 0.806 409 A HN 0.283 nan 8.150 nan 0.000 0.451 410 V N -4.194 115.616 119.914 -0.173 0.000 3.319 410 V HA 0.293 4.413 4.120 0.000 0.000 0.317 410 V C 0.286 176.239 176.094 -0.235 0.000 1.411 410 V CA 0.204 62.346 62.300 -0.264 0.000 1.112 410 V CB -0.391 31.135 31.823 -0.494 0.000 1.031 410 V HN 0.165 nan 8.190 nan 0.000 0.448 411 T N 0.965 115.461 114.554 -0.096 0.000 2.824 411 T HA 0.397 4.747 4.350 0.000 0.000 0.280 411 T C 0.750 175.479 174.700 0.049 0.000 0.995 411 T CA -0.396 61.718 62.100 0.023 0.000 1.009 411 T CB 2.210 71.205 68.868 0.211 0.000 0.955 411 T HN 0.287 nan 8.240 nan 0.000 0.452 412 K N 1.166 121.594 120.400 0.047 0.000 2.062 412 K HA 0.017 4.337 4.320 0.000 0.000 0.205 412 K C 1.286 177.903 176.600 0.028 0.000 1.051 412 K CA 0.697 57.002 56.287 0.030 0.000 0.941 412 K CB 0.163 32.683 32.500 0.033 0.000 0.719 412 K HN 0.387 nan 8.250 nan 0.000 0.440 413 R N 1.902 122.439 120.500 0.062 0.000 2.543 413 R HA 0.069 4.409 4.340 0.000 0.000 0.277 413 R C -0.854 175.401 176.300 -0.074 0.000 1.074 413 R CA 0.379 56.497 56.100 0.030 0.000 1.076 413 R CB 0.528 30.894 30.300 0.110 0.000 0.993 413 R HN -0.086 nan 8.270 nan 0.000 0.459 414 K N 1.374 121.647 120.400 -0.212 0.000 2.509 414 K HA 0.408 4.728 4.320 0.000 0.000 0.266 414 K C -1.498 174.850 176.600 -0.420 0.000 0.987 414 K CA -0.947 55.038 56.287 -0.503 0.000 0.868 414 K CB 2.483 34.836 32.500 -0.244 0.000 1.421 414 K HN 0.835 nan 8.250 nan 0.000 0.444 415 T N -1.414 112.850 114.554 -0.484 0.000 3.097 415 T HA 0.373 4.723 4.350 0.000 0.000 0.332 415 T C -0.874 173.797 174.700 -0.047 0.000 1.269 415 T CA -1.103 60.916 62.100 -0.135 0.000 1.076 415 T CB 1.513 70.406 68.868 0.042 0.000 1.209 415 T HN 0.678 nan 8.240 nan 0.000 0.474 416 K N 0.504 120.873 120.400 -0.053 0.000 2.526 416 K HA 0.842 5.162 4.320 0.000 0.000 0.256 416 K C -0.811 175.684 176.600 -0.175 0.000 1.035 416 K CA -0.977 55.247 56.287 -0.104 0.000 1.011 416 K CB 1.453 33.899 32.500 -0.090 0.000 1.343 416 K HN 0.709 nan 8.250 nan 0.000 0.510 417 C N 1.528 120.603 119.300 -0.376 0.000 2.446 417 C HA 0.626 5.087 4.460 0.000 0.000 0.329 417 C C -1.038 173.783 174.990 -0.283 0.000 1.166 417 C CA -0.334 58.434 59.018 -0.417 0.000 1.341 417 C CB 0.342 27.592 27.740 -0.817 0.000 1.970 417 C HN 0.607 nan 8.230 nan 0.000 0.452 418 V N 5.002 124.859 119.914 -0.095 0.000 2.628 418 V HA 0.813 4.934 4.120 0.000 0.000 0.306 418 V C -0.563 175.559 176.094 0.047 0.000 1.045 418 V CA -0.632 61.670 62.300 0.002 0.000 0.905 418 V CB 1.717 33.546 31.823 0.010 0.000 0.997 418 V HN 0.948 nan 8.190 nan 0.000 0.436 419 M N 3.485 123.136 119.600 0.086 0.000 2.433 419 M HA 0.633 5.113 4.480 0.000 0.000 0.290 419 M C -1.035 175.303 176.300 0.063 0.000 1.173 419 M CA -0.551 54.790 55.300 0.069 0.000 0.905 419 M CB 2.966 35.618 32.600 0.086 0.000 1.692 419 M HN 0.825 nan 8.290 nan 0.000 0.462 420 K N 2.982 123.403 120.400 0.035 0.000 2.535 420 K HA 0.644 4.964 4.320 0.000 0.000 0.250 420 K C -1.918 174.654 176.600 -0.046 0.000 0.948 420 K CA -0.454 55.856 56.287 0.040 0.000 0.796 420 K CB 2.510 35.075 32.500 0.109 0.000 1.216 420 K HN 0.870 nan 8.250 nan 0.000 0.432 421 M N 5.468 125.050 119.600 -0.030 0.000 2.181 421 M HA 0.341 4.822 4.480 0.000 0.000 0.323 421 M C -1.561 174.703 176.300 -0.059 0.000 1.004 421 M CA -0.852 54.385 55.300 -0.104 0.000 0.941 421 M CB 1.529 34.059 32.600 -0.116 0.000 1.579 421 M HN 0.328 nan 8.290 nan 0.000 0.427 422 V N 5.238 125.087 119.914 -0.108 0.000 2.348 422 V HA 0.341 4.462 4.120 0.000 0.000 0.270 422 V C -0.408 175.630 176.094 -0.095 0.000 1.037 422 V CA -0.512 61.750 62.300 -0.064 0.000 0.872 422 V CB 0.711 32.533 31.823 -0.001 0.000 1.002 422 V HN 0.955 nan 8.190 nan 0.000 0.464 423 C N 4.342 123.586 119.300 -0.093 0.000 2.391 423 C HA 0.934 5.394 4.460 0.000 0.000 0.339 423 C C 0.586 175.461 174.990 -0.191 0.000 1.205 423 C CA -0.636 58.312 59.018 -0.118 0.000 1.937 423 C CB 0.970 28.694 27.740 -0.027 0.000 2.341 423 C HN 0.975 nan 8.230 nan 0.000 0.516 424 A N 3.365 126.012 122.820 -0.288 0.000 2.386 424 A HA 0.861 5.182 4.320 0.000 0.000 0.311 424 A C -0.376 177.022 177.584 -0.310 0.000 1.068 424 A CA -0.365 51.395 52.037 -0.462 0.000 0.743 424 A CB 0.526 18.826 19.000 -1.166 0.000 1.258 424 A HN 1.159 nan 8.150 nan 0.000 0.429 425 N N -0.124 118.446 118.700 -0.217 0.000 6.901 425 N HA -0.185 4.555 4.740 0.000 0.000 0.422 425 N C 0.675 176.146 175.510 -0.065 0.000 0.947 425 N CA 0.652 53.638 53.050 -0.106 0.000 1.386 425 N CB -0.256 38.175 38.487 -0.093 0.000 0.815 425 N HN 0.820 nan 8.380 nan 0.000 0.301 426 K N 1.391 121.769 120.400 -0.035 0.000 2.026 426 K HA -0.206 4.114 4.320 0.000 0.000 0.208 426 K C 1.707 178.296 176.600 -0.018 0.000 1.048 426 K CA 2.117 58.392 56.287 -0.019 0.000 0.929 426 K CB -0.136 32.358 32.500 -0.009 0.000 0.713 426 K HN 0.602 nan 8.250 nan 0.000 0.439 427 E N 0.583 120.769 120.200 -0.024 0.000 2.409 427 E HA -0.146 4.204 4.350 0.000 0.000 0.198 427 E C -0.594 175.990 176.600 -0.027 0.000 1.024 427 E CA 0.666 57.054 56.400 -0.019 0.000 0.861 427 E CB -0.211 29.479 29.700 -0.016 0.000 0.788 427 E HN 0.247 nan 8.360 nan 0.000 0.521 428 E N 1.145 121.318 120.200 -0.045 0.000 2.271 428 E HA -0.223 4.127 4.350 0.000 0.000 0.223 428 E C -0.566 175.990 176.600 -0.074 0.000 1.223 428 E CA 0.492 56.863 56.400 -0.048 0.000 0.704 428 E CB -1.165 28.540 29.700 0.008 0.000 1.194 428 E HN 0.359 nan 8.360 nan 0.000 0.375 429 K N 1.030 121.369 120.400 -0.101 0.000 2.447 429 K HA 0.133 4.453 4.320 0.000 0.000 0.281 429 K C 0.022 176.551 176.600 -0.118 0.000 1.031 429 K CA -0.213 56.021 56.287 -0.089 0.000 1.019 429 K CB 0.732 33.180 32.500 -0.087 0.000 0.918 429 K HN -0.003 nan 8.250 nan 0.000 0.476 430 V N 6.869 126.718 119.914 -0.109 0.000 2.403 430 V HA -0.047 4.073 4.120 0.000 0.000 0.265 430 V C 1.078 177.125 176.094 -0.077 0.000 1.034 430 V CA 0.072 62.276 62.300 -0.159 0.000 1.036 430 V CB 0.448 32.117 31.823 -0.257 0.000 1.032 430 V HN 0.766 nan 8.190 nan 0.000 0.478 431 V N 2.125 121.990 119.914 -0.082 0.000 3.643 431 V HA 0.628 4.748 4.120 0.000 0.000 0.280 431 V C 0.797 176.888 176.094 -0.005 0.000 1.351 431 V CA 0.637 62.929 62.300 -0.013 0.000 1.073 431 V CB 0.188 32.023 31.823 0.020 0.000 0.863 431 V HN 0.762 nan 8.190 nan 0.000 0.436 432 G N 0.141 108.892 108.800 -0.082 0.000 2.766 432 G HA2 0.713 4.673 3.960 0.000 0.000 0.297 432 G HA3 0.713 4.673 3.960 0.000 0.000 0.297 432 G C -1.599 173.047 174.900 -0.422 0.000 1.431 432 G CA -0.551 44.442 45.100 -0.178 0.000 1.042 432 G HN 0.145 nan 8.290 nan 0.000 0.542 433 I N 2.889 123.094 120.570 -0.608 0.000 2.500 433 I HA 0.382 4.553 4.170 0.000 0.000 0.286 433 I C -1.094 174.632 176.117 -0.652 0.000 1.063 433 I CA -0.860 60.116 61.300 -0.541 0.000 1.062 433 I CB 2.172 40.044 38.000 -0.213 0.000 1.223 433 I HN 0.438 nan 8.210 nan 0.000 0.435 434 H N 7.862 126.921 119.070 -0.017 0.000 2.679 434 H HA 0.752 5.308 4.556 0.000 0.000 0.360 434 H C -0.739 174.588 175.328 -0.001 0.000 1.105 434 H CA -0.797 55.254 56.048 0.005 0.000 1.196 434 H CB 2.216 31.994 29.762 0.026 0.000 1.636 434 H HN 0.595 nan 8.280 nan 0.000 0.531 435 M N 0.860 120.522 119.600 0.104 0.000 2.603 435 M HA 0.500 4.980 4.480 0.000 0.000 0.275 435 M C -1.832 174.484 176.300 0.026 0.000 1.226 435 M CA -0.900 54.429 55.300 0.048 0.000 0.870 435 M CB 3.514 36.119 32.600 0.010 0.000 1.716 435 M HN 0.455 nan 8.290 nan 0.000 0.482 436 Q N 0.887 120.691 119.800 0.006 0.000 2.315 436 Q HA 0.825 5.165 4.340 0.000 0.000 0.273 436 Q C -1.122 174.866 176.000 -0.020 0.000 1.053 436 Q CA -0.061 55.734 55.803 -0.014 0.000 0.817 436 Q CB 2.775 31.500 28.738 -0.022 0.000 1.326 436 Q HN 1.302 nan 8.270 nan 0.000 0.423 437 G N 1.644 110.444 108.800 -0.000 0.000 2.352 437 G HA2 0.133 4.093 3.960 0.000 0.000 0.302 437 G HA3 0.133 4.093 3.960 0.000 0.000 0.302 437 G C -1.573 173.363 174.900 0.059 0.000 1.370 437 G CA -1.116 43.988 45.100 0.007 0.000 0.918 437 G HN 0.619 nan 8.290 nan 0.000 0.610 438 L N 1.160 122.430 121.223 0.077 0.000 2.540 438 L HA 0.325 4.665 4.340 0.000 0.000 0.276 438 L C 1.891 178.821 176.870 0.101 0.000 1.212 438 L CA 1.756 56.654 54.840 0.098 0.000 0.893 438 L CB 0.386 42.480 42.059 0.057 0.000 1.138 438 L HN 2.078 nan 8.230 nan 0.000 0.491 439 G N 1.313 110.187 108.800 0.125 0.000 2.320 439 G HA2 -0.335 3.625 3.960 0.000 0.000 0.242 439 G HA3 -0.335 3.625 3.960 0.000 0.000 0.242 439 G C 1.024 175.984 174.900 0.100 0.000 1.033 439 G CA 0.250 45.419 45.100 0.115 0.000 0.620 439 G HN 0.710 nan 8.290 nan 0.000 0.517 440 C N 2.452 121.799 119.300 0.078 0.000 2.397 440 C HA -0.105 4.355 4.460 0.000 0.000 0.282 440 C C 2.746 177.733 174.990 -0.005 0.000 1.252 440 C CA 1.816 60.858 59.018 0.041 0.000 1.811 440 C CB -0.977 26.769 27.740 0.010 0.000 2.027 440 C HN 0.809 nan 8.230 nan 0.000 0.503 441 D N 0.408 120.793 120.400 -0.025 0.000 2.178 441 D HA -0.146 4.494 4.640 0.000 0.000 0.201 441 D C 1.471 177.769 176.300 -0.003 0.000 0.980 441 D CA 1.266 55.201 54.000 -0.109 0.000 0.842 441 D CB -0.537 40.200 40.800 -0.105 0.000 0.948 441 D HN 0.475 nan 8.370 nan 0.000 0.472 442 E N -0.552 119.685 120.200 0.061 0.000 2.481 442 E HA 0.128 4.478 4.350 0.000 0.000 0.198 442 E C 1.624 178.268 176.600 0.073 0.000 1.027 442 E CA -0.174 56.268 56.400 0.069 0.000 0.900 442 E CB 0.495 30.245 29.700 0.084 0.000 0.993 442 E HN 0.401 nan 8.360 nan 0.000 0.482 443 M N 0.175 119.832 119.600 0.095 0.000 2.501 443 M HA 0.026 4.506 4.480 0.000 0.000 0.261 443 M C 1.702 178.149 176.300 0.244 0.000 1.129 443 M CA 0.327 55.725 55.300 0.163 0.000 1.126 443 M CB 0.316 33.026 32.600 0.183 0.000 1.359 443 M HN 0.096 nan 8.290 nan 0.000 0.471 444 L N 0.877 122.194 121.223 0.157 0.000 2.044 444 L HA -0.135 4.205 4.340 0.000 0.000 0.205 444 L C 2.284 179.242 176.870 0.147 0.000 1.075 444 L CA 1.920 56.864 54.840 0.173 0.000 0.747 444 L CB -0.796 41.301 42.059 0.063 0.000 0.903 444 L HN 0.310 nan 8.230 nan 0.000 0.435 445 Q N -0.148 119.692 119.800 0.066 0.000 2.118 445 Q HA -0.209 4.132 4.340 0.000 0.000 0.211 445 Q C 2.074 178.073 176.000 -0.002 0.000 0.998 445 Q CA 2.421 58.239 55.803 0.026 0.000 0.872 445 Q CB -1.042 27.700 28.738 0.006 0.000 0.925 445 Q HN 0.577 nan 8.270 nan 0.000 0.414 446 G N -1.411 107.357 108.800 -0.053 0.000 2.418 446 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 446 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 446 G C 1.044 175.808 174.900 -0.226 0.000 1.158 446 G CA 0.777 45.762 45.100 -0.191 0.000 0.771 446 G HN 0.404 nan 8.290 nan 0.000 0.545 447 F N 1.727 121.644 119.950 -0.055 0.000 2.234 447 F HA 0.135 4.662 4.527 0.000 0.000 0.299 447 F C 2.973 178.783 175.800 0.016 0.000 1.087 447 F CA 0.680 58.654 58.000 -0.042 0.000 1.340 447 F CB -0.279 38.741 39.000 0.033 0.000 1.031 447 F HN 0.236 nan 8.300 nan 0.000 0.500 448 A N -0.061 122.863 122.820 0.174 0.000 1.902 448 A HA -0.135 4.185 4.320 0.000 0.000 0.217 448 A C 2.398 180.019 177.584 0.061 0.000 1.181 448 A CA 1.864 53.963 52.037 0.103 0.000 0.623 448 A CB -1.230 17.804 19.000 0.056 0.000 0.818 448 A HN 0.158 nan 8.150 nan 0.000 0.443 449 V N -0.087 119.838 119.914 0.018 0.000 2.282 449 V HA -0.315 3.805 4.120 0.000 0.000 0.249 449 V C 3.081 179.176 176.094 0.001 0.000 1.057 449 V CA 2.183 64.477 62.300 -0.011 0.000 1.032 449 V CB -1.266 30.526 31.823 -0.050 0.000 0.645 449 V HN 0.640 nan 8.190 nan 0.000 0.447 450 A N -0.430 122.387 122.820 -0.006 0.000 1.877 450 A HA -0.174 4.146 4.320 0.000 0.000 0.216 450 A C 2.365 180.018 177.584 0.116 0.000 1.186 450 A CA 2.119 54.167 52.037 0.018 0.000 0.620 450 A CB -0.743 18.218 19.000 -0.065 0.000 0.822 450 A HN 0.352 nan 8.150 nan 0.000 0.443 451 V N -0.024 119.991 119.914 0.167 0.000 2.490 451 V HA -0.242 3.878 4.120 0.000 0.000 0.250 451 V C 2.467 178.614 176.094 0.089 0.000 1.061 451 V CA 2.380 64.775 62.300 0.159 0.000 1.064 451 V CB -0.601 31.312 31.823 0.150 0.000 0.670 451 V HN 0.666 nan 8.190 nan 0.000 0.461 452 K N -0.656 119.780 120.400 0.061 0.000 2.366 452 K HA 0.044 4.364 4.320 0.000 0.000 0.198 452 K C 1.947 178.566 176.600 0.032 0.000 1.044 452 K CA 0.798 57.107 56.287 0.037 0.000 0.973 452 K CB -0.049 32.462 32.500 0.018 0.000 0.767 452 K HN 0.387 nan 8.250 nan 0.000 0.475 453 M N -0.870 118.752 119.600 0.037 0.000 2.558 453 M HA 0.107 4.587 4.480 0.000 0.000 0.255 453 M C 0.638 176.962 176.300 0.040 0.000 1.113 453 M CA 0.843 56.160 55.300 0.029 0.000 1.097 453 M CB 0.819 33.431 32.600 0.019 0.000 1.426 453 M HN 0.370 nan 8.290 nan 0.000 0.488 454 G N 1.083 109.916 108.800 0.056 0.000 2.140 454 G HA2 -0.127 3.833 3.960 0.000 0.000 0.211 454 G HA3 -0.127 3.833 3.960 0.000 0.000 0.211 454 G C 0.136 175.079 174.900 0.072 0.000 1.013 454 G CA -0.136 44.997 45.100 0.055 0.000 0.705 454 G HN 0.688 nan 8.290 nan 0.000 0.508 455 A N -0.126 122.766 122.820 0.119 0.000 2.536 455 A HA 0.625 4.946 4.320 0.000 0.000 0.234 455 A C 1.129 178.795 177.584 0.137 0.000 1.076 455 A CA 1.628 53.777 52.037 0.186 0.000 0.769 455 A CB 0.199 19.431 19.000 0.387 0.000 1.020 455 A HN 2.039 nan 8.150 nan 0.000 0.508 456 T N -1.516 113.119 114.554 0.136 0.000 2.926 456 T HA 0.518 4.868 4.350 0.000 0.000 0.289 456 T C 0.772 175.486 174.700 0.024 0.000 1.054 456 T CA -0.339 61.785 62.100 0.040 0.000 1.015 456 T CB 1.387 70.273 68.868 0.030 0.000 1.167 456 T HN 0.552 nan 8.240 nan 0.000 0.526 457 K N 0.852 121.206 120.400 -0.077 0.000 2.152 457 K HA 0.011 4.332 4.320 0.000 0.000 0.206 457 K C 2.230 178.825 176.600 -0.008 0.000 1.048 457 K CA 1.994 58.196 56.287 -0.143 0.000 0.933 457 K CB -1.133 31.276 32.500 -0.152 0.000 0.721 457 K HN 0.724 nan 8.250 nan 0.000 0.447 458 A N 0.780 123.613 122.820 0.022 0.000 1.930 458 A HA -0.145 4.176 4.320 0.000 0.000 0.217 458 A C 1.718 179.359 177.584 0.096 0.000 1.175 458 A CA 1.899 53.960 52.037 0.041 0.000 0.627 458 A CB -0.682 18.333 19.000 0.024 0.000 0.815 458 A HN 0.428 nan 8.150 nan 0.000 0.443 459 D N -0.742 119.747 120.400 0.148 0.000 2.149 459 D HA -0.127 4.513 4.640 0.000 0.000 0.198 459 D C 1.507 177.927 176.300 0.200 0.000 0.990 459 D CA 1.106 55.203 54.000 0.161 0.000 0.839 459 D CB -0.381 40.532 40.800 0.188 0.000 0.948 459 D HN 0.446 nan 8.370 nan 0.000 0.460 460 F N 1.417 121.376 119.950 0.015 0.000 2.128 460 F HA -0.076 4.452 4.527 0.000 0.000 0.295 460 F C 2.116 177.923 175.800 0.012 0.000 1.100 460 F CA 0.860 58.885 58.000 0.042 0.000 1.260 460 F CB -0.497 38.529 39.000 0.043 0.000 1.009 460 F HN -0.106 nan 8.300 nan 0.000 0.476 461 D N -0.361 120.151 120.400 0.186 0.000 2.310 461 D HA -0.118 4.523 4.640 0.000 0.000 0.212 461 D C 1.348 177.673 176.300 0.042 0.000 0.965 461 D CA 0.727 54.770 54.000 0.073 0.000 0.879 461 D CB -0.420 40.387 40.800 0.012 0.000 0.921 461 D HN 0.275 nan 8.370 nan 0.000 0.510 462 N N 0.016 118.742 118.700 0.043 0.000 2.398 462 N HA -0.018 4.722 4.740 0.000 0.000 0.188 462 N C -0.109 175.403 175.510 0.003 0.000 1.122 462 N CA 0.307 53.367 53.050 0.017 0.000 0.866 462 N CB 0.448 38.944 38.487 0.014 0.000 0.970 462 N HN 0.009 nan 8.380 nan 0.000 0.462 463 T N 1.203 115.760 114.554 0.004 0.000 2.743 463 T HA 0.282 4.632 4.350 0.000 0.000 0.293 463 T C 0.483 175.178 174.700 -0.007 0.000 0.945 463 T CA -0.467 61.620 62.100 -0.023 0.000 1.030 463 T CB 1.963 70.792 68.868 -0.065 0.000 0.912 463 T HN -0.242 nan 8.240 nan 0.000 0.483 464 V N 3.396 123.302 119.914 -0.013 0.000 2.599 464 V HA 0.295 4.415 4.120 0.000 0.000 0.300 464 V C 1.030 177.128 176.094 0.007 0.000 1.034 464 V CA -0.730 61.569 62.300 -0.003 0.000 1.115 464 V CB 0.039 31.858 31.823 -0.007 0.000 0.934 464 V HN 1.080 nan 8.190 nan 0.000 0.485 465 A N 6.226 129.061 122.820 0.025 0.000 2.445 465 A HA 0.471 4.792 4.320 0.000 0.000 0.242 465 A C 0.020 177.639 177.584 0.059 0.000 1.075 465 A CA -0.221 51.845 52.037 0.049 0.000 0.777 465 A CB -0.078 18.959 19.000 0.063 0.000 1.013 465 A HN 0.785 nan 8.150 nan 0.000 0.493 466 I N 3.822 124.430 120.570 0.063 0.000 2.313 466 I HA 0.136 4.306 4.170 0.000 0.000 0.286 466 I C 0.314 176.482 176.117 0.084 0.000 1.091 466 I CA -0.022 61.313 61.300 0.058 0.000 1.216 466 I CB -0.018 38.000 38.000 0.030 0.000 1.434 466 I HN 0.690 nan 8.210 nan 0.000 0.487 467 H N 8.532 127.607 119.070 0.009 0.000 2.467 467 H HA 0.501 5.058 4.556 0.000 0.000 0.331 467 H C -2.375 172.962 175.328 0.015 0.000 1.120 467 H CA -1.589 54.465 56.048 0.010 0.000 1.270 467 H CB 2.064 31.826 29.762 0.001 0.000 1.466 467 H HN 0.355 nan 8.280 nan 0.000 0.504 468 P HA 0.247 nan 4.420 nan 0.000 0.304 468 P C -1.096 176.047 177.300 -0.261 0.000 1.366 468 P CA -0.459 62.152 63.100 -0.815 0.000 0.859 468 P CB 1.792 32.941 31.700 -0.919 0.000 0.961 469 T N -1.558 112.911 114.554 -0.140 0.000 2.681 469 T HA 0.385 4.735 4.350 0.000 0.000 0.296 469 T C 0.769 175.500 174.700 0.050 0.000 1.157 469 T CA -0.423 61.672 62.100 -0.008 0.000 1.025 469 T CB 0.844 69.729 68.868 0.028 0.000 1.441 469 T HN 0.035 nan 8.240 nan 0.000 0.504 470 S N 0.461 116.242 115.700 0.136 0.000 2.441 470 S HA 0.021 4.491 4.470 0.000 0.000 0.224 470 S C 2.377 177.090 174.600 0.189 0.000 1.043 470 S CA 0.924 59.272 58.200 0.246 0.000 0.948 470 S CB -0.507 62.895 63.200 0.337 0.000 0.810 470 S HN 0.945 nan 8.310 nan 0.000 0.504 471 S N 3.175 118.980 115.700 0.174 0.000 2.380 471 S HA -0.296 4.174 4.470 0.000 0.000 0.229 471 S C 1.808 176.531 174.600 0.205 0.000 1.043 471 S CA 1.725 60.058 58.200 0.221 0.000 1.038 471 S CB -0.848 62.490 63.200 0.230 0.000 0.872 471 S HN 0.792 nan 8.310 nan 0.000 0.456 472 E N 1.067 121.345 120.200 0.130 0.000 2.267 472 E HA -0.205 4.145 4.350 0.000 0.000 0.197 472 E C 1.676 178.319 176.600 0.073 0.000 0.998 472 E CA 1.252 57.715 56.400 0.104 0.000 0.830 472 E CB -0.375 29.371 29.700 0.078 0.000 0.751 472 E HN 0.482 nan 8.360 nan 0.000 0.491 473 E N 0.838 121.057 120.200 0.032 0.000 2.265 473 E HA -0.099 4.251 4.350 0.000 0.000 0.196 473 E C 2.088 178.707 176.600 0.032 0.000 0.996 473 E CA 0.596 56.985 56.400 -0.019 0.000 0.832 473 E CB -0.119 29.536 29.700 -0.075 0.000 0.756 473 E HN 0.452 nan 8.360 nan 0.000 0.491 474 L N 0.376 121.635 121.223 0.060 0.000 2.156 474 L HA -0.093 4.247 4.340 0.000 0.000 0.208 474 L C 2.064 179.058 176.870 0.206 0.000 1.095 474 L CA 0.691 55.554 54.840 0.037 0.000 0.770 474 L CB -0.008 41.899 42.059 -0.254 0.000 0.914 474 L HN 0.030 nan 8.230 nan 0.000 0.439 475 V N -4.797 115.245 119.914 0.214 0.000 3.514 475 V HA 0.124 4.244 4.120 0.000 0.000 0.301 475 V C 1.103 177.252 176.094 0.091 0.000 1.346 475 V CA 0.737 63.163 62.300 0.210 0.000 1.156 475 V CB -0.588 31.332 31.823 0.161 0.000 1.029 475 V HN 0.454 nan 8.190 nan 0.000 0.428 476 T N -2.313 112.267 114.554 0.043 0.000 3.393 476 T HA 0.454 4.804 4.350 0.000 0.000 0.298 476 T C 0.046 174.722 174.700 -0.040 0.000 1.004 476 T CA -0.283 61.814 62.100 -0.006 0.000 0.956 476 T CB -0.400 68.465 68.868 -0.006 0.000 1.182 476 T HN 0.306 nan 8.240 nan 0.000 0.497 477 L N 2.743 123.926 121.223 -0.066 0.000 2.410 477 L HA 0.490 4.830 4.340 0.000 0.000 0.273 477 L C 0.488 177.252 176.870 -0.176 0.000 1.144 477 L CA -0.418 54.368 54.840 -0.089 0.000 0.863 477 L CB 0.345 42.344 42.059 -0.100 0.000 1.140 477 L HN 0.132 nan 8.230 nan 0.000 0.463 478 R N 0.000 120.470 120.500 -0.051 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.089 56.100 -0.019 0.000 0.921 478 R CB 0.000 30.300 30.300 0.001 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535