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 3djg_1_X 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 0.000 176.050 176.094 -0.074 0.000 1.182 18 V CA 0.000 62.246 62.300 -0.090 0.000 1.235 18 V CB 0.000 31.800 31.823 -0.038 0.000 1.184 19 A N 3.016 125.778 122.820 -0.097 0.000 2.354 19 A HA 0.779 5.101 4.320 0.004 0.000 0.281 19 A C 0.372 177.976 177.584 0.034 0.000 1.174 19 A CA -0.030 51.984 52.037 -0.039 0.000 0.828 19 A CB 0.532 19.569 19.000 0.061 0.000 1.099 19 A HN 0.831 nan 8.150 nan 0.000 0.516 20 S N 1.303 116.949 115.700 -0.091 0.000 2.489 20 S HA 0.646 5.119 4.470 0.004 0.000 0.291 20 S C -0.955 173.512 174.600 -0.221 0.000 1.151 20 S CA -0.064 58.121 58.200 -0.025 0.000 1.082 20 S CB 0.450 63.645 63.200 -0.008 0.000 1.019 20 S HN 0.567 nan 8.310 nan 0.000 0.492 21 Y N 0.330 120.708 120.300 0.131 0.000 2.630 21 Y HA 0.336 4.888 4.550 0.004 0.000 0.337 21 Y C 1.131 177.133 175.900 0.170 0.000 1.051 21 Y CA -0.934 57.245 58.100 0.130 0.000 1.121 21 Y CB 0.990 39.523 38.460 0.122 0.000 1.299 21 Y HN 0.506 nan 8.280 nan 0.000 0.498 22 D N -0.275 120.335 120.400 0.350 0.000 2.194 22 D HA -0.097 4.546 4.640 0.004 0.000 0.204 22 D C -0.737 175.900 176.300 0.562 0.000 0.964 22 D CA 1.737 55.959 54.000 0.371 0.000 0.846 22 D CB 0.333 41.271 40.800 0.229 0.000 0.962 22 D HN 0.238 nan 8.370 nan 0.000 0.490 23 Y N 0.207 120.677 120.300 0.284 0.000 2.401 23 Y HA 0.423 4.976 4.550 0.005 0.000 0.330 23 Y C -1.724 174.258 175.900 0.137 0.000 1.071 23 Y CA -1.517 56.748 58.100 0.275 0.000 1.049 23 Y CB 1.130 39.657 38.460 0.112 0.000 1.239 23 Y HN -0.291 nan 8.280 nan 0.000 0.437 24 L N 6.372 127.620 121.223 0.041 0.000 2.356 24 L HA 0.772 5.114 4.340 0.004 0.000 0.277 24 L C -1.544 175.133 176.870 -0.321 0.000 0.996 24 L CA -0.793 53.944 54.840 -0.172 0.000 0.822 24 L CB 1.736 43.778 42.059 -0.029 0.000 1.256 24 L HN 0.384 nan 8.230 nan 0.000 0.413 25 V N 6.511 126.193 119.914 -0.386 0.000 2.409 25 V HA 0.458 4.580 4.120 0.004 0.000 0.291 25 V C 0.030 175.982 176.094 -0.238 0.000 1.020 25 V CA -0.466 61.627 62.300 -0.345 0.000 0.848 25 V CB 1.667 33.266 31.823 -0.374 0.000 0.990 25 V HN 0.552 nan 8.190 nan 0.000 0.430 26 I N 4.841 125.307 120.570 -0.174 0.000 2.291 26 I HA 0.699 4.872 4.170 0.004 0.000 0.290 26 I C 0.727 176.775 176.117 -0.115 0.000 1.050 26 I CA 0.105 61.303 61.300 -0.171 0.000 1.245 26 I CB 0.995 38.883 38.000 -0.185 0.000 1.405 26 I HN 0.857 nan 8.210 nan 0.000 0.478 27 G N 3.602 112.334 108.800 -0.114 0.000 3.326 27 G HA2 0.062 4.024 3.960 0.004 0.000 0.681 27 G HA3 0.062 4.024 3.960 0.004 0.000 0.681 27 G C -0.122 174.745 174.900 -0.055 0.000 1.255 27 G CA -0.583 44.478 45.100 -0.066 0.000 0.976 27 G HN 0.916 nan 8.290 nan 0.000 0.563 28 G N 0.720 109.497 108.800 -0.038 0.000 4.084 28 G HA2 0.679 4.642 3.960 0.004 0.000 0.293 28 G HA3 0.679 4.642 3.960 0.004 0.000 0.293 28 G C 0.798 175.708 174.900 0.017 0.000 1.303 28 G CA 0.882 45.972 45.100 -0.018 0.000 1.289 28 G HN 1.232 nan 8.290 nan 0.000 0.609 29 G N -0.076 108.734 108.800 0.017 0.000 2.702 29 G HA2 0.391 4.353 3.960 0.004 0.000 0.254 29 G HA3 0.391 4.353 3.960 0.004 0.000 0.254 29 G C 1.174 176.108 174.900 0.057 0.000 1.380 29 G CA 0.234 45.352 45.100 0.030 0.000 1.042 29 G HN 0.165 nan 8.290 nan 0.000 0.557 30 S N -0.339 115.395 115.700 0.057 0.000 2.353 30 S HA -0.131 4.341 4.470 0.004 0.000 0.222 30 S C 2.465 177.094 174.600 0.049 0.000 1.035 30 S CA 1.833 60.075 58.200 0.069 0.000 1.025 30 S CB -0.694 62.538 63.200 0.054 0.000 0.902 30 S HN 0.771 nan 8.310 nan 0.000 0.440 31 G N 0.894 109.720 108.800 0.043 0.000 2.404 31 G HA2 0.012 3.974 3.960 0.004 0.000 0.215 31 G HA3 0.012 3.974 3.960 0.004 0.000 0.215 31 G C 1.451 176.373 174.900 0.037 0.000 1.174 31 G CA 0.882 46.010 45.100 0.045 0.000 0.780 31 G HN 0.562 nan 8.290 nan 0.000 0.537 32 G N 0.967 109.779 108.800 0.020 0.000 2.421 32 G HA2 -0.147 3.816 3.960 0.004 0.000 0.216 32 G HA3 -0.147 3.816 3.960 0.004 0.000 0.216 32 G C 1.820 176.708 174.900 -0.020 0.000 1.171 32 G CA 0.774 45.865 45.100 -0.014 0.000 0.775 32 G HN 0.401 nan 8.290 nan 0.000 0.543 33 L N 0.648 121.869 121.223 -0.004 0.000 2.046 33 L HA -0.068 4.274 4.340 0.004 0.000 0.208 33 L C 3.412 180.269 176.870 -0.022 0.000 1.077 33 L CA 1.074 55.905 54.840 -0.015 0.000 0.747 33 L CB -0.498 41.566 42.059 0.009 0.000 0.896 33 L HN 0.319 nan 8.230 nan 0.000 0.432 34 A N -0.945 121.874 122.820 -0.003 0.000 1.898 34 A HA -0.208 4.115 4.320 0.004 0.000 0.216 34 A C 2.555 180.152 177.584 0.020 0.000 1.181 34 A CA 2.017 54.052 52.037 -0.004 0.000 0.620 34 A CB -0.609 18.398 19.000 0.010 0.000 0.819 34 A HN 0.337 nan 8.150 nan 0.000 0.442 35 S N -0.587 115.147 115.700 0.056 0.000 2.355 35 S HA -0.010 4.462 4.470 0.004 0.000 0.222 35 S C 2.239 176.945 174.600 0.177 0.000 1.031 35 S CA 1.467 59.748 58.200 0.134 0.000 0.993 35 S CB -0.472 62.851 63.200 0.204 0.000 0.859 35 S HN 0.785 nan 8.310 nan 0.000 0.453 36 A N 1.750 124.627 122.820 0.096 0.000 1.908 36 A HA -0.109 4.213 4.320 0.004 0.000 0.218 36 A C 2.210 179.801 177.584 0.012 0.000 1.181 36 A CA 1.491 53.566 52.037 0.063 0.000 0.627 36 A CB -0.608 18.361 19.000 -0.053 0.000 0.818 36 A HN 0.587 nan 8.150 nan 0.000 0.445 37 R N -1.351 119.135 120.500 -0.024 0.000 2.081 37 R HA -0.129 4.213 4.340 0.004 0.000 0.235 37 R C 2.463 178.725 176.300 -0.063 0.000 1.131 37 R CA 1.610 57.677 56.100 -0.056 0.000 0.960 37 R CB -0.252 30.004 30.300 -0.073 0.000 0.856 37 R HN 0.427 nan 8.270 nan 0.000 0.436 38 R N 1.006 121.472 120.500 -0.056 0.000 2.090 38 R HA 0.017 4.360 4.340 0.004 0.000 0.228 38 R C 1.955 178.153 176.300 -0.169 0.000 1.110 38 R CA 1.606 57.642 56.100 -0.107 0.000 0.973 38 R CB -0.572 29.664 30.300 -0.107 0.000 0.869 38 R HN 0.214 nan 8.270 nan 0.000 0.440 39 A N 0.330 123.060 122.820 -0.150 0.000 1.902 39 A HA -0.051 4.272 4.320 0.004 0.000 0.217 39 A C 2.356 179.734 177.584 -0.343 0.000 1.181 39 A CA 1.800 53.633 52.037 -0.339 0.000 0.623 39 A CB -1.056 17.699 19.000 -0.407 0.000 0.818 39 A HN 0.458 nan 8.150 nan 0.000 0.443 40 A N -0.196 122.513 122.820 -0.185 0.000 1.933 40 A HA -0.165 4.158 4.320 0.004 0.000 0.218 40 A C 1.866 179.393 177.584 -0.095 0.000 1.175 40 A CA 1.587 53.549 52.037 -0.126 0.000 0.628 40 A CB -0.542 18.424 19.000 -0.058 0.000 0.814 40 A HN 0.643 nan 8.150 nan 0.000 0.444 41 E N -0.268 119.876 120.200 -0.093 0.000 2.160 41 E HA -0.130 4.222 4.350 0.004 0.000 0.195 41 E C 1.364 177.924 176.600 -0.066 0.000 0.991 41 E CA 0.982 57.345 56.400 -0.063 0.000 0.810 41 E CB -0.243 29.421 29.700 -0.060 0.000 0.742 41 E HN 0.637 nan 8.360 nan 0.000 0.466 42 L N -0.748 120.405 121.223 -0.117 0.000 2.591 42 L HA 0.165 4.507 4.340 0.004 0.000 0.228 42 L C 1.370 178.193 176.870 -0.079 0.000 1.133 42 L CA 0.363 55.148 54.840 -0.091 0.000 0.880 42 L CB 0.266 42.253 42.059 -0.120 0.000 1.033 42 L HN 0.300 nan 8.230 nan 0.000 0.450 43 G N -0.297 108.441 108.800 -0.104 0.000 2.179 43 G HA2 -0.224 3.739 3.960 0.004 0.000 0.220 43 G HA3 -0.224 3.739 3.960 0.004 0.000 0.220 43 G C 0.412 175.236 174.900 -0.127 0.000 0.990 43 G CA -0.155 44.901 45.100 -0.072 0.000 0.646 43 G HN 0.438 nan 8.290 nan 0.000 0.517 44 A N 0.305 122.941 122.820 -0.308 0.000 2.462 44 A HA 0.653 4.976 4.320 0.004 0.000 0.243 44 A C 0.742 178.230 177.584 -0.160 0.000 1.076 44 A CA 0.247 52.039 52.037 -0.409 0.000 0.773 44 A CB 0.167 18.490 19.000 -1.129 0.000 1.010 44 A HN 0.502 nan 8.150 nan 0.000 0.493 45 R N 1.192 121.676 120.500 -0.027 0.000 2.220 45 R HA 0.467 4.809 4.340 0.004 0.000 0.340 45 R C -0.017 176.400 176.300 0.196 0.000 1.076 45 R CA 0.350 56.508 56.100 0.097 0.000 0.920 45 R CB 0.881 31.255 30.300 0.123 0.000 1.062 45 R HN 0.774 nan 8.270 nan 0.000 0.469 46 A N 2.004 124.903 122.820 0.131 0.000 2.356 46 A HA 0.881 5.204 4.320 0.004 0.000 0.323 46 A C -1.006 176.516 177.584 -0.104 0.000 1.119 46 A CA -0.663 51.408 52.037 0.056 0.000 0.790 46 A CB 1.795 20.811 19.000 0.026 0.000 1.273 46 A HN 0.680 nan 8.150 nan 0.000 0.452 47 A N 0.610 123.224 122.820 -0.343 0.000 2.449 47 A HA 0.709 5.031 4.320 0.004 0.000 0.302 47 A C -1.245 176.103 177.584 -0.394 0.000 1.048 47 A CA -0.450 51.279 52.037 -0.515 0.000 0.708 47 A CB 1.517 19.840 19.000 -1.128 0.000 1.274 47 A HN 1.231 nan 8.150 nan 0.000 0.410 48 V N 1.993 121.721 119.914 -0.311 0.000 2.495 48 V HA 0.475 4.598 4.120 0.004 0.000 0.298 48 V C -0.357 175.579 176.094 -0.263 0.000 1.031 48 V CA -0.537 61.611 62.300 -0.253 0.000 0.871 48 V CB 1.703 33.425 31.823 -0.169 0.000 0.988 48 V HN 0.688 nan 8.190 nan 0.000 0.432 49 V N 3.915 123.672 119.914 -0.262 0.000 2.427 49 V HA 0.643 4.766 4.120 0.004 0.000 0.286 49 V C -0.306 175.683 176.094 -0.175 0.000 1.034 49 V CA -0.404 61.745 62.300 -0.251 0.000 0.893 49 V CB 1.575 33.224 31.823 -0.290 0.000 0.982 49 V HN 0.962 nan 8.190 nan 0.000 0.452 50 E N 2.771 122.884 120.200 -0.144 0.000 2.278 50 E HA 0.389 4.742 4.350 0.004 0.000 0.272 50 E C 0.396 176.932 176.600 -0.107 0.000 0.890 50 E CA -0.078 56.264 56.400 -0.096 0.000 0.770 50 E CB 2.098 31.758 29.700 -0.066 0.000 1.212 50 E HN 0.542 nan 8.360 nan 0.000 0.415 51 S N 3.621 119.255 115.700 -0.111 0.000 2.501 51 S HA 0.123 4.595 4.470 0.004 0.000 0.220 51 S C 0.804 175.091 174.600 -0.521 0.000 0.997 51 S CA 0.436 58.475 58.200 -0.268 0.000 0.919 51 S CB -0.159 62.897 63.200 -0.240 0.000 0.778 51 S HN 0.611 nan 8.310 nan 0.000 0.523 52 H N 1.045 120.107 119.070 -0.012 0.000 5.295 52 H HA 0.513 5.071 4.556 0.002 0.000 0.122 52 H C -0.548 174.762 175.328 -0.030 0.000 1.318 52 H CA -0.521 55.519 56.048 -0.014 0.000 0.249 52 H CB -0.006 29.751 29.762 -0.009 0.000 1.675 52 H HN 0.130 nan 8.280 nan 0.000 0.189 53 K N 1.458 121.928 120.400 0.117 0.000 2.221 53 K HA 0.388 4.711 4.320 0.004 0.000 0.258 53 K C -0.420 176.168 176.600 -0.021 0.000 0.944 53 K CA -0.453 55.843 56.287 0.014 0.000 0.823 53 K CB 2.126 34.614 32.500 -0.019 0.000 1.113 53 K HN 0.125 nan 8.250 nan 0.000 0.431 54 L N 1.363 122.566 121.223 -0.034 0.000 2.506 54 L HA -0.020 4.323 4.340 0.004 0.000 0.281 54 L C 1.420 178.221 176.870 -0.116 0.000 1.228 54 L CA 1.094 55.919 54.840 -0.025 0.000 0.850 54 L CB 0.166 42.241 42.059 0.026 0.000 1.110 54 L HN 1.118 nan 8.230 nan 0.000 0.496 55 G N 1.071 109.826 108.800 -0.075 0.000 2.258 55 G HA2 -0.106 3.857 3.960 0.004 0.000 0.233 55 G HA3 -0.106 3.857 3.960 0.004 0.000 0.233 55 G C 0.704 175.517 174.900 -0.145 0.000 1.006 55 G CA -0.074 44.871 45.100 -0.259 0.000 0.620 55 G HN 1.474 nan 8.290 nan 0.000 0.511 56 G N -0.783 107.961 108.800 -0.094 0.000 2.564 56 G HA2 -0.122 3.840 3.960 0.004 0.000 0.273 56 G HA3 -0.122 3.840 3.960 0.004 0.000 0.273 56 G C 1.063 175.913 174.900 -0.083 0.000 1.242 56 G CA 1.586 46.653 45.100 -0.056 0.000 0.951 56 G HN 1.363 nan 8.290 nan 0.000 0.564 57 T N -0.156 114.365 114.554 -0.056 0.000 2.708 57 T HA -0.187 4.166 4.350 0.004 0.000 0.266 57 T C 2.482 177.125 174.700 -0.096 0.000 1.037 57 T CA 2.651 64.714 62.100 -0.062 0.000 1.146 57 T CB -0.788 68.066 68.868 -0.024 0.000 0.865 57 T HN 1.118 nan 8.240 nan 0.000 0.435 58 C N 1.355 120.606 119.300 -0.081 0.000 2.367 58 C HA -0.116 4.347 4.460 0.004 0.000 0.276 58 C C 2.719 177.609 174.990 -0.167 0.000 1.195 58 C CA 1.024 59.987 59.018 -0.090 0.000 1.756 58 C CB -1.254 26.460 27.740 -0.043 0.000 2.046 58 C HN 0.383 nan 8.230 nan 0.000 0.453 59 V N 1.840 121.613 119.914 -0.234 0.000 2.323 59 V HA -0.132 3.991 4.120 0.004 0.000 0.244 59 V C 2.397 178.303 176.094 -0.313 0.000 1.041 59 V CA 2.399 64.496 62.300 -0.338 0.000 1.025 59 V CB -0.716 30.777 31.823 -0.549 0.000 0.656 59 V HN 0.600 nan 8.190 nan 0.000 0.451 60 N N 0.369 118.910 118.700 -0.265 0.000 2.305 60 N HA -0.013 4.729 4.740 0.004 0.000 0.179 60 N C 1.088 176.413 175.510 -0.308 0.000 1.019 60 N CA 1.780 54.684 53.050 -0.243 0.000 0.869 60 N CB 0.719 39.107 38.487 -0.166 0.000 1.000 60 N HN 0.542 nan 8.380 nan 0.000 0.431 61 V N -3.474 116.259 119.914 -0.301 0.000 3.047 61 V HA 0.674 4.796 4.120 0.004 0.000 0.374 61 V C 0.359 176.299 176.094 -0.255 0.000 1.399 61 V CA -0.249 61.837 62.300 -0.358 0.000 1.251 61 V CB 0.561 32.381 31.823 -0.006 0.000 1.228 61 V HN 0.164 nan 8.190 nan 0.000 0.589 62 G N -0.414 108.205 108.800 -0.302 0.000 3.433 62 G HA2 0.226 4.189 3.960 0.004 0.000 0.173 62 G HA3 0.226 4.189 3.960 0.004 0.000 0.173 62 G C 0.818 175.665 174.900 -0.089 0.000 1.196 62 G CA 0.668 45.720 45.100 -0.081 0.000 1.062 62 G HN 0.181 nan 8.290 nan 0.000 0.699 63 C N 0.129 119.390 119.300 -0.065 0.000 2.349 63 C HA -0.067 4.395 4.460 0.004 0.000 0.274 63 C C 2.944 177.873 174.990 -0.102 0.000 1.178 63 C CA 1.233 60.211 59.018 -0.066 0.000 1.769 63 C CB -1.343 26.370 27.740 -0.046 0.000 2.047 63 C HN 0.288 nan 8.230 nan 0.000 0.448 64 V N 2.498 122.339 119.914 -0.120 0.000 2.244 64 V HA -0.122 4.000 4.120 0.004 0.000 0.244 64 V C 0.107 176.169 176.094 -0.054 0.000 1.042 64 V CA 2.557 64.805 62.300 -0.088 0.000 1.006 64 V CB -2.012 29.724 31.823 -0.144 0.000 0.641 64 V HN 0.389 nan 8.190 nan 0.000 0.446 65 P HA -0.193 nan 4.420 nan 0.000 0.220 65 P C 1.562 178.964 177.300 0.169 0.000 1.148 65 P CA 1.425 64.468 63.100 -0.096 0.000 0.803 65 P CB -0.091 31.291 31.700 -0.530 0.000 0.782 66 K N 1.146 121.650 120.400 0.172 0.000 2.057 66 K HA -0.171 4.151 4.320 0.004 0.000 0.207 66 K C 2.097 178.783 176.600 0.144 0.000 1.049 66 K CA 1.604 58.084 56.287 0.321 0.000 0.931 66 K CB -0.401 32.230 32.500 0.218 0.000 0.714 66 K HN -0.110 nan 8.250 nan 0.000 0.440 67 K N 0.696 121.084 120.400 -0.020 0.000 2.097 67 K HA -0.050 4.272 4.320 0.004 0.000 0.206 67 K C 1.987 178.650 176.600 0.104 0.000 1.049 67 K CA 1.139 57.375 56.287 -0.086 0.000 0.933 67 K CB -0.262 32.098 32.500 -0.232 0.000 0.717 67 K HN -0.022 nan 8.250 nan 0.000 0.442 68 V N 0.793 120.771 119.914 0.106 0.000 2.287 68 V HA -0.292 3.830 4.120 0.004 0.000 0.248 68 V C 2.318 178.476 176.094 0.106 0.000 1.053 68 V CA 1.786 64.145 62.300 0.099 0.000 1.027 68 V CB -0.469 31.410 31.823 0.094 0.000 0.646 68 V HN 0.364 nan 8.190 nan 0.000 0.447 69 M N -1.784 117.911 119.600 0.159 0.000 2.229 69 M HA -0.141 4.342 4.480 0.004 0.000 0.264 69 M C 1.944 178.338 176.300 0.157 0.000 1.063 69 M CA 1.341 56.720 55.300 0.132 0.000 1.114 69 M CB -1.300 31.449 32.600 0.247 0.000 1.387 69 M HN 0.617 nan 8.290 nan 0.000 0.420 70 W N 2.578 123.897 121.300 0.032 0.000 2.355 70 W HA -0.186 4.476 4.660 0.003 0.000 0.309 70 W C 1.953 178.493 176.519 0.034 0.000 1.206 70 W CA 1.624 58.994 57.345 0.042 0.000 1.284 70 W CB -0.398 29.040 29.460 -0.036 0.000 1.145 70 W HN 0.257 nan 8.180 nan 0.000 0.502 71 N N -0.450 118.340 118.700 0.150 0.000 2.166 71 N HA -0.152 4.590 4.740 0.004 0.000 0.186 71 N C 1.569 177.029 175.510 -0.084 0.000 1.019 71 N CA 2.270 55.305 53.050 -0.024 0.000 0.856 71 N CB -0.971 37.574 38.487 0.097 0.000 0.993 71 N HN 0.179 nan 8.380 nan 0.000 0.426 72 T N 0.878 115.389 114.554 -0.070 0.000 2.777 72 T HA -0.032 4.320 4.350 0.004 0.000 0.266 72 T C 2.013 176.561 174.700 -0.253 0.000 1.040 72 T CA 1.321 63.337 62.100 -0.140 0.000 1.141 72 T CB -0.309 68.462 68.868 -0.162 0.000 0.868 72 T HN 0.322 nan 8.240 nan 0.000 0.444 73 A N 1.085 123.743 122.820 -0.271 0.000 1.902 73 A HA -0.034 4.289 4.320 0.004 0.000 0.217 73 A C 2.587 179.891 177.584 -0.467 0.000 1.181 73 A CA 1.239 53.063 52.037 -0.354 0.000 0.623 73 A CB -1.044 17.811 19.000 -0.243 0.000 0.818 73 A HN 0.346 nan 8.150 nan 0.000 0.443 74 V N -0.285 119.305 119.914 -0.540 0.000 2.332 74 V HA -0.292 3.830 4.120 0.004 0.000 0.248 74 V C 2.427 178.072 176.094 -0.749 0.000 1.055 74 V CA 2.125 63.967 62.300 -0.764 0.000 1.038 74 V CB -1.085 30.177 31.823 -0.935 0.000 0.651 74 V HN 0.653 nan 8.190 nan 0.000 0.450 75 H N -0.537 118.255 119.070 -0.464 0.000 2.352 75 H HA -0.172 4.387 4.556 0.004 0.000 0.299 75 H C 2.703 177.831 175.328 -0.334 0.000 1.097 75 H CA 2.029 57.898 56.048 -0.300 0.000 1.311 75 H CB -0.135 29.509 29.762 -0.198 0.000 1.377 75 H HN 0.441 nan 8.280 nan 0.000 0.504 76 S N 0.201 115.738 115.700 -0.272 0.000 2.370 76 S HA -0.161 4.311 4.470 0.004 0.000 0.226 76 S C 1.962 176.243 174.600 -0.532 0.000 1.033 76 S CA 1.524 59.497 58.200 -0.377 0.000 1.011 76 S CB -0.006 62.961 63.200 -0.389 0.000 0.852 76 S HN 0.505 nan 8.310 nan 0.000 0.457 77 E N -0.221 119.691 120.200 -0.479 0.000 2.077 77 E HA -0.107 4.245 4.350 0.004 0.000 0.193 77 E C 1.728 178.276 176.600 -0.086 0.000 0.989 77 E CA 1.328 57.540 56.400 -0.315 0.000 0.800 77 E CB -0.231 29.231 29.700 -0.396 0.000 0.746 77 E HN 0.543 nan 8.360 nan 0.000 0.452 78 F N 0.521 120.390 119.950 -0.136 0.000 2.293 78 F HA -0.064 4.465 4.527 0.004 0.000 0.300 78 F C 2.261 178.030 175.800 -0.052 0.000 1.086 78 F CA 0.671 58.631 58.000 -0.067 0.000 1.375 78 F CB -0.718 38.173 39.000 -0.182 0.000 1.045 78 F HN 0.048 nan 8.300 nan 0.000 0.516 79 M N -0.490 119.103 119.600 -0.012 0.000 2.149 79 M HA -0.242 4.240 4.480 0.004 0.000 0.261 79 M C 2.301 178.639 176.300 0.063 0.000 1.064 79 M CA 1.823 57.082 55.300 -0.068 0.000 1.102 79 M CB -0.400 32.094 32.600 -0.178 0.000 1.369 79 M HN 0.065 nan 8.290 nan 0.000 0.408 80 H N 0.191 119.342 119.070 0.136 0.000 2.456 80 H HA -0.071 4.488 4.556 0.004 0.000 0.296 80 H C 1.070 176.526 175.328 0.212 0.000 1.079 80 H CA 1.393 57.529 56.048 0.146 0.000 1.322 80 H CB -0.394 29.434 29.762 0.110 0.000 1.388 80 H HN 0.495 nan 8.280 nan 0.000 0.538 81 D N -1.033 119.614 120.400 0.411 0.000 2.349 81 D HA -0.037 4.606 4.640 0.004 0.000 0.214 81 D C 1.827 178.387 176.300 0.434 0.000 1.063 81 D CA 0.139 54.392 54.000 0.422 0.000 0.847 81 D CB -0.109 41.027 40.800 0.560 0.000 0.933 81 D HN 0.372 nan 8.370 nan 0.000 0.513 82 H N 1.688 120.913 119.070 0.258 0.000 2.319 82 H HA -0.056 4.502 4.556 0.004 0.000 0.299 82 H C 1.943 177.465 175.328 0.323 0.000 1.092 82 H CA 2.066 58.256 56.048 0.238 0.000 1.302 82 H CB 0.058 29.898 29.762 0.131 0.000 1.373 82 H HN 0.094 nan 8.280 nan 0.000 0.497 83 A N 0.142 123.125 122.820 0.271 0.000 1.930 83 A HA -0.134 4.188 4.320 0.004 0.000 0.217 83 A C 2.064 179.706 177.584 0.096 0.000 1.175 83 A CA 1.591 53.718 52.037 0.149 0.000 0.627 83 A CB -0.293 18.787 19.000 0.133 0.000 0.815 83 A HN 0.454 nan 8.150 nan 0.000 0.443 84 D N -1.392 119.071 120.400 0.105 0.000 2.182 84 D HA -0.142 4.501 4.640 0.004 0.000 0.201 84 D C 0.744 176.967 176.300 -0.128 0.000 0.986 84 D CA 1.233 55.220 54.000 -0.021 0.000 0.847 84 D CB -0.242 40.532 40.800 -0.043 0.000 0.942 84 D HN 0.601 nan 8.370 nan 0.000 0.467 85 Y N -0.566 119.768 120.300 0.056 0.000 2.470 85 Y HA 0.311 4.863 4.550 0.004 0.000 0.284 85 Y C 1.657 177.544 175.900 -0.021 0.000 1.188 85 Y CA 0.326 58.465 58.100 0.065 0.000 1.269 85 Y CB 0.672 39.236 38.460 0.174 0.000 1.094 85 Y HN 0.044 nan 8.280 nan 0.000 0.518 86 G N -1.170 107.622 108.800 -0.014 0.000 2.179 86 G HA2 -0.256 3.707 3.960 0.004 0.000 0.220 86 G HA3 -0.256 3.707 3.960 0.004 0.000 0.220 86 G C -0.066 174.588 174.900 -0.410 0.000 0.990 86 G CA -0.425 44.527 45.100 -0.246 0.000 0.646 86 G HN 0.189 nan 8.290 nan 0.000 0.517 87 F N 0.872 120.690 119.950 -0.220 0.000 2.509 87 F HA 0.671 5.200 4.527 0.004 0.000 0.334 87 F C -1.846 173.850 175.800 -0.173 0.000 1.060 87 F CA -2.498 55.304 58.000 -0.330 0.000 0.997 87 F CB 1.193 39.588 39.000 -1.010 0.000 1.271 87 F HN -0.176 nan 8.300 nan 0.000 0.488 88 P HA 0.181 nan 4.420 nan 0.000 0.275 88 P C -0.990 176.477 177.300 0.279 0.000 1.228 88 P CA -0.644 62.556 63.100 0.166 0.000 0.786 88 P CB 0.781 32.574 31.700 0.154 0.000 0.927 89 S N 1.125 116.953 115.700 0.213 0.000 2.585 89 S HA 0.298 4.770 4.470 0.004 0.000 0.273 89 S C -0.117 174.600 174.600 0.195 0.000 1.339 89 S CA -0.542 57.799 58.200 0.234 0.000 1.028 89 S CB -0.152 63.146 63.200 0.164 0.000 0.906 89 S HN 0.493 nan 8.310 nan 0.000 0.528 90 C N 2.677 122.074 119.300 0.161 0.000 2.411 90 C HA 0.522 4.984 4.460 0.004 0.000 0.330 90 C C 1.638 176.676 174.990 0.080 0.000 1.224 90 C CA -0.692 58.381 59.018 0.091 0.000 1.770 90 C CB 0.810 28.562 27.740 0.021 0.000 2.297 90 C HN 1.071 nan 8.230 nan 0.000 0.507 91 E N 1.561 121.801 120.200 0.065 0.000 2.028 91 E HA 0.205 4.558 4.350 0.004 0.000 0.191 91 E C 1.447 178.085 176.600 0.062 0.000 0.988 91 E CA 1.071 57.509 56.400 0.063 0.000 0.799 91 E CB -0.349 29.381 29.700 0.051 0.000 0.755 91 E HN 1.245 nan 8.360 nan 0.000 0.447 92 G N 1.568 110.398 108.800 0.050 0.000 2.324 92 G HA2 -0.379 3.583 3.960 0.004 0.000 0.292 92 G HA3 -0.379 3.583 3.960 0.004 0.000 0.292 92 G C -0.311 174.639 174.900 0.084 0.000 1.079 92 G CA 0.381 45.513 45.100 0.054 0.000 1.026 92 G HN 0.270 nan 8.290 nan 0.000 0.506 93 K N 0.144 120.590 120.400 0.077 0.000 2.363 93 K HA 0.366 4.688 4.320 0.004 0.000 0.289 93 K C 0.569 177.245 176.600 0.126 0.000 1.063 93 K CA -0.806 55.538 56.287 0.095 0.000 0.967 93 K CB -0.027 32.506 32.500 0.054 0.000 0.987 93 K HN 0.226 nan 8.250 nan 0.000 0.473 94 F N 4.466 124.426 119.950 0.017 0.000 2.529 94 F HA 0.091 4.620 4.527 0.003 0.000 0.365 94 F C 0.169 175.997 175.800 0.046 0.000 1.102 94 F CA -0.315 57.696 58.000 0.018 0.000 1.271 94 F CB 0.429 39.451 39.000 0.036 0.000 1.120 94 F HN 0.478 nan 8.300 nan 0.000 0.579 95 N N 7.386 125.617 118.700 -0.782 0.000 2.546 95 N HA -0.005 4.737 4.740 0.004 0.000 0.238 95 N C 0.687 175.610 175.510 -0.978 0.000 0.984 95 N CA -0.467 52.197 53.050 -0.644 0.000 0.935 95 N CB 0.014 38.306 38.487 -0.325 0.000 1.122 95 N HN 0.905 nan 8.380 nan 0.000 0.510 96 W N 4.625 125.384 121.300 -0.901 0.000 2.363 96 W HA -0.074 4.589 4.660 0.004 0.000 0.296 96 W C 1.130 177.472 176.519 -0.295 0.000 1.212 96 W CA 0.975 57.993 57.345 -0.545 0.000 1.260 96 W CB 0.199 29.566 29.460 -0.155 0.000 1.131 96 W HN 0.590 nan 8.180 nan 0.000 0.530 97 R N -0.124 120.382 120.500 0.011 0.000 2.092 97 R HA -0.145 4.197 4.340 0.004 0.000 0.231 97 R C 2.185 178.437 176.300 -0.080 0.000 1.119 97 R CA 1.645 57.758 56.100 0.021 0.000 0.970 97 R CB -0.555 29.750 30.300 0.009 0.000 0.864 97 R HN 0.027 nan 8.270 nan 0.000 0.440 98 V N 0.932 120.753 119.914 -0.154 0.000 2.255 98 V HA -0.270 3.852 4.120 0.004 0.000 0.247 98 V C 2.113 178.125 176.094 -0.137 0.000 1.051 98 V CA 1.822 64.036 62.300 -0.142 0.000 1.018 98 V CB -0.359 31.362 31.823 -0.169 0.000 0.641 98 V HN 0.279 nan 8.190 nan 0.000 0.445 99 I N -0.358 120.099 120.570 -0.188 0.000 2.439 99 I HA -0.131 4.041 4.170 0.004 0.000 0.251 99 I C 2.390 178.408 176.117 -0.165 0.000 1.139 99 I CA 1.551 62.762 61.300 -0.147 0.000 1.438 99 I CB -0.531 37.418 38.000 -0.086 0.000 1.085 99 I HN 0.212 nan 8.210 nan 0.000 0.427 100 K N 0.558 120.820 120.400 -0.229 0.000 2.032 100 K HA -0.242 4.080 4.320 0.004 0.000 0.209 100 K C 1.943 178.517 176.600 -0.044 0.000 1.048 100 K CA 1.967 58.168 56.287 -0.143 0.000 0.927 100 K CB -0.164 32.295 32.500 -0.069 0.000 0.712 100 K HN 0.405 nan 8.250 nan 0.000 0.441 101 E N 0.477 120.655 120.200 -0.037 0.000 2.058 101 E HA -0.187 4.165 4.350 0.004 0.000 0.194 101 E C 2.035 178.628 176.600 -0.011 0.000 0.997 101 E CA 1.561 57.953 56.400 -0.015 0.000 0.801 101 E CB 0.061 29.749 29.700 -0.020 0.000 0.746 101 E HN 0.307 nan 8.360 nan 0.000 0.450 102 K N 0.452 120.836 120.400 -0.026 0.000 2.097 102 K HA -0.124 4.198 4.320 0.004 0.000 0.205 102 K C 2.256 178.870 176.600 0.023 0.000 1.050 102 K CA 0.725 57.005 56.287 -0.013 0.000 0.938 102 K CB -0.104 32.371 32.500 -0.042 0.000 0.718 102 K HN 0.008 nan 8.250 nan 0.000 0.442 103 R N 1.290 121.800 120.500 0.016 0.000 2.066 103 R HA -0.148 4.194 4.340 0.004 0.000 0.232 103 R C 1.409 177.748 176.300 0.064 0.000 1.131 103 R CA 1.812 57.949 56.100 0.061 0.000 0.955 103 R CB -0.028 30.292 30.300 0.033 0.000 0.851 103 R HN 0.111 nan 8.270 nan 0.000 0.432 104 D N 0.296 120.715 120.400 0.032 0.000 2.117 104 D HA -0.119 4.524 4.640 0.004 0.000 0.197 104 D C 1.712 178.022 176.300 0.018 0.000 0.987 104 D CA 1.446 55.456 54.000 0.016 0.000 0.829 104 D CB -0.255 40.555 40.800 0.017 0.000 0.961 104 D HN 0.363 nan 8.370 nan 0.000 0.460 105 A N 0.220 123.062 122.820 0.037 0.000 1.902 105 A HA -0.235 4.087 4.320 0.004 0.000 0.217 105 A C 2.188 179.825 177.584 0.088 0.000 1.181 105 A CA 1.236 53.300 52.037 0.045 0.000 0.623 105 A CB -0.965 18.060 19.000 0.041 0.000 0.818 105 A HN 0.300 nan 8.150 nan 0.000 0.443 106 Y N 0.814 121.093 120.300 -0.035 0.000 2.200 106 Y HA -0.145 4.408 4.550 0.004 0.000 0.290 106 Y C 2.385 178.254 175.900 -0.052 0.000 1.137 106 Y CA 1.373 59.451 58.100 -0.036 0.000 1.163 106 Y CB -0.678 37.760 38.460 -0.036 0.000 0.988 106 Y HN 0.062 nan 8.280 nan 0.000 0.518 107 V N -0.539 119.282 119.914 -0.155 0.000 2.282 107 V HA -0.358 3.765 4.120 0.004 0.000 0.249 107 V C 2.525 178.498 176.094 -0.200 0.000 1.057 107 V CA 2.261 64.406 62.300 -0.259 0.000 1.032 107 V CB -1.139 30.575 31.823 -0.182 0.000 0.645 107 V HN 0.390 nan 8.190 nan 0.000 0.447 108 S N -0.788 114.851 115.700 -0.101 0.000 2.368 108 S HA -0.192 4.281 4.470 0.004 0.000 0.225 108 S C 2.078 176.638 174.600 -0.067 0.000 1.030 108 S CA 1.459 59.617 58.200 -0.071 0.000 0.999 108 S CB -0.322 62.861 63.200 -0.029 0.000 0.844 108 S HN 0.535 nan 8.310 nan 0.000 0.459 109 R N 0.682 121.153 120.500 -0.047 0.000 2.083 109 R HA -0.043 4.299 4.340 0.004 0.000 0.237 109 R C 2.251 178.516 176.300 -0.058 0.000 1.137 109 R CA 1.215 57.304 56.100 -0.019 0.000 0.951 109 R CB -0.623 29.714 30.300 0.062 0.000 0.851 109 R HN 0.374 nan 8.270 nan 0.000 0.434 110 L N 0.546 121.661 121.223 -0.181 0.000 2.093 110 L HA -0.174 4.168 4.340 0.004 0.000 0.208 110 L C 1.815 178.597 176.870 -0.147 0.000 1.085 110 L CA 1.442 56.174 54.840 -0.180 0.000 0.755 110 L CB -0.588 41.225 42.059 -0.410 0.000 0.904 110 L HN 0.293 nan 8.230 nan 0.000 0.435 111 N N 0.154 118.736 118.700 -0.197 0.000 2.094 111 N HA -0.225 4.518 4.740 0.004 0.000 0.191 111 N C 1.910 177.411 175.510 -0.015 0.000 1.023 111 N CA 1.301 54.267 53.050 -0.139 0.000 0.857 111 N CB -0.233 38.187 38.487 -0.113 0.000 1.013 111 N HN 0.344 nan 8.380 nan 0.000 0.426 112 A N 0.895 123.711 122.820 -0.007 0.000 1.930 112 A HA -0.063 4.259 4.320 0.004 0.000 0.217 112 A C 2.145 179.757 177.584 0.048 0.000 1.175 112 A CA 0.922 52.969 52.037 0.017 0.000 0.627 112 A CB -0.535 18.470 19.000 0.007 0.000 0.815 112 A HN 0.201 nan 8.150 nan 0.000 0.443 113 I N -1.962 118.655 120.570 0.078 0.000 2.179 113 I HA -0.285 3.887 4.170 0.004 0.000 0.242 113 I C 2.378 178.562 176.117 0.112 0.000 1.088 113 I CA 1.475 62.830 61.300 0.092 0.000 1.357 113 I CB -0.425 37.645 38.000 0.116 0.000 1.051 113 I HN 0.436 nan 8.210 nan 0.000 0.409 114 Y N 0.551 120.815 120.300 -0.059 0.000 2.128 114 Y HA -0.381 4.172 4.550 0.005 0.000 0.284 114 Y C 2.854 178.721 175.900 -0.056 0.000 1.154 114 Y CA 1.781 59.845 58.100 -0.059 0.000 1.149 114 Y CB -0.296 38.125 38.460 -0.066 0.000 0.976 114 Y HN 0.232 nan 8.280 nan 0.000 0.505 115 Q N 0.663 120.528 119.800 0.109 0.000 2.096 115 Q HA -0.251 4.091 4.340 0.004 0.000 0.204 115 Q C 2.085 178.083 176.000 -0.004 0.000 0.982 115 Q CA 1.870 57.693 55.803 0.033 0.000 0.850 115 Q CB -0.335 28.415 28.738 0.020 0.000 0.901 115 Q HN 0.502 nan 8.270 nan 0.000 0.422 116 N N -0.367 118.331 118.700 -0.004 0.000 2.120 116 N HA -0.180 4.562 4.740 0.004 0.000 0.188 116 N C 1.379 176.852 175.510 -0.062 0.000 1.024 116 N CA 1.359 54.392 53.050 -0.028 0.000 0.852 116 N CB -0.157 38.319 38.487 -0.019 0.000 1.003 116 N HN 0.398 nan 8.380 nan 0.000 0.424 117 N N 0.485 119.138 118.700 -0.079 0.000 2.137 117 N HA -0.133 4.609 4.740 0.004 0.000 0.190 117 N C 1.865 177.300 175.510 -0.124 0.000 1.017 117 N CA 0.784 53.760 53.050 -0.123 0.000 0.859 117 N CB 0.029 38.403 38.487 -0.189 0.000 1.002 117 N HN 0.261 nan 8.380 nan 0.000 0.428 118 L N 0.393 121.557 121.223 -0.098 0.000 2.027 118 L HA -0.128 4.214 4.340 0.004 0.000 0.206 118 L C 2.261 179.071 176.870 -0.100 0.000 1.074 118 L CA 1.195 55.980 54.840 -0.091 0.000 0.745 118 L CB -0.901 41.121 42.059 -0.062 0.000 0.898 118 L HN 0.242 nan 8.230 nan 0.000 0.433 119 T N -0.352 114.152 114.554 -0.083 0.000 2.720 119 T HA -0.200 4.152 4.350 0.004 0.000 0.268 119 T C 1.905 176.504 174.700 -0.167 0.000 1.037 119 T CA 1.233 63.287 62.100 -0.078 0.000 1.144 119 T CB -0.097 68.746 68.868 -0.042 0.000 0.864 119 T HN 0.259 nan 8.240 nan 0.000 0.444 120 K N 0.928 121.210 120.400 -0.195 0.000 2.211 120 K HA 0.062 4.384 4.320 0.004 0.000 0.203 120 K C 2.295 178.563 176.600 -0.553 0.000 1.050 120 K CA 0.858 56.968 56.287 -0.296 0.000 0.945 120 K CB -0.037 32.357 32.500 -0.176 0.000 0.732 120 K HN 0.146 nan 8.250 nan 0.000 0.451 121 S N -0.278 115.188 115.700 -0.390 0.000 2.593 121 S HA 0.008 4.481 4.470 0.004 0.000 0.217 121 S C -0.518 173.912 174.600 -0.283 0.000 0.966 121 S CA 0.044 58.049 58.200 -0.324 0.000 0.914 121 S CB -0.188 62.918 63.200 -0.158 0.000 0.776 121 S HN 0.404 nan 8.310 nan 0.000 0.523 122 H N -0.542 118.514 119.070 -0.022 0.000 2.839 122 H HA -0.130 4.429 4.556 0.004 0.000 0.298 122 H C -0.481 174.842 175.328 -0.008 0.000 1.224 122 H CA 0.396 56.438 56.048 -0.010 0.000 1.144 122 H CB -2.265 27.494 29.762 -0.006 0.000 1.372 122 H HN 0.359 nan 8.280 nan 0.000 0.408 123 I N 1.095 121.676 120.570 0.018 0.000 2.353 123 I HA 0.118 4.291 4.170 0.004 0.000 0.293 123 I C 0.822 176.929 176.117 -0.017 0.000 0.992 123 I CA -0.183 61.112 61.300 -0.008 0.000 1.268 123 I CB 1.188 39.155 38.000 -0.054 0.000 1.387 123 I HN 0.240 nan 8.210 nan 0.000 0.478 124 E N 5.924 126.110 120.200 -0.022 0.000 2.338 124 E HA 0.347 4.700 4.350 0.004 0.000 0.272 124 E C -0.819 175.707 176.600 -0.123 0.000 1.029 124 E CA -0.203 56.172 56.400 -0.042 0.000 0.872 124 E CB 1.101 30.799 29.700 -0.003 0.000 1.015 124 E HN 0.395 nan 8.360 nan 0.000 0.417 125 I N 4.531 125.045 120.570 -0.093 0.000 2.354 125 I HA 0.288 4.460 4.170 0.004 0.000 0.292 125 I C -0.310 175.728 176.117 -0.132 0.000 0.989 125 I CA -0.419 60.811 61.300 -0.118 0.000 1.188 125 I CB 1.039 38.994 38.000 -0.075 0.000 1.342 125 I HN 0.323 nan 8.210 nan 0.000 0.457 126 I N 6.618 127.069 120.570 -0.197 0.000 2.354 126 I HA 0.371 4.543 4.170 0.004 0.000 0.286 126 I C -0.048 175.970 176.117 -0.165 0.000 1.007 126 I CA -0.598 60.572 61.300 -0.218 0.000 1.167 126 I CB 0.825 38.563 38.000 -0.437 0.000 1.320 126 I HN 0.437 nan 8.210 nan 0.000 0.458 127 R N 5.121 125.559 120.500 -0.102 0.000 2.221 127 R HA 0.743 5.086 4.340 0.004 0.000 0.327 127 R C 0.150 176.404 176.300 -0.077 0.000 1.033 127 R CA -0.427 55.620 56.100 -0.087 0.000 0.887 127 R CB 1.516 31.779 30.300 -0.062 0.000 1.057 127 R HN 0.921 nan 8.270 nan 0.000 0.455 128 G N 1.151 109.895 108.800 -0.093 0.000 2.369 128 G HA2 -0.102 3.860 3.960 0.004 0.000 0.295 128 G HA3 -0.102 3.860 3.960 0.004 0.000 0.295 128 G C -1.942 172.926 174.900 -0.053 0.000 1.298 128 G CA -0.985 44.079 45.100 -0.060 0.000 0.940 128 G HN 0.708 nan 8.290 nan 0.000 0.536 129 H N 0.228 119.240 119.070 -0.096 0.000 2.552 129 H HA 0.739 5.299 4.556 0.007 0.000 0.311 129 H C 0.490 175.775 175.328 -0.072 0.000 1.071 129 H CA 0.460 56.459 56.048 -0.080 0.000 1.307 129 H CB 1.082 30.811 29.762 -0.056 0.000 1.416 129 H HN 0.903 nan 8.280 nan 0.000 0.464 130 A N 4.086 126.609 122.820 -0.495 0.000 2.327 130 A HA 0.710 5.033 4.320 0.004 0.000 0.283 130 A C -0.534 176.787 177.584 -0.438 0.000 1.127 130 A CA 0.071 51.878 52.037 -0.383 0.000 0.810 130 A CB 0.158 18.931 19.000 -0.378 0.000 1.066 130 A HN 0.914 nan 8.150 nan 0.000 0.492 131 A N 1.443 124.131 122.820 -0.221 0.000 2.475 131 A HA 0.742 5.064 4.320 0.004 0.000 0.301 131 A C -0.812 176.667 177.584 -0.175 0.000 1.059 131 A CA -0.594 51.367 52.037 -0.127 0.000 0.710 131 A CB 0.600 19.649 19.000 0.081 0.000 1.288 131 A HN 0.646 nan 8.150 nan 0.000 0.408 132 F N 1.180 121.145 119.950 0.024 0.000 2.450 132 F HA 0.446 4.975 4.527 0.004 0.000 0.339 132 F C 1.691 177.511 175.800 0.033 0.000 1.146 132 F CA 0.979 58.995 58.000 0.027 0.000 1.267 132 F CB 1.288 40.299 39.000 0.018 0.000 1.178 132 F HN 0.687 nan 8.300 nan 0.000 0.585 133 T N -2.424 112.274 114.554 0.239 0.000 2.910 133 T HA 0.350 4.702 4.350 0.004 0.000 0.279 133 T C 0.635 175.412 174.700 0.128 0.000 0.989 133 T CA -0.276 61.910 62.100 0.142 0.000 0.968 133 T CB 1.259 70.186 68.868 0.098 0.000 1.135 133 T HN 0.507 nan 8.240 nan 0.000 0.562 134 S N -0.832 114.915 115.700 0.079 0.000 2.634 134 S HA 0.172 4.644 4.470 0.004 0.000 0.221 134 S C -0.001 174.624 174.600 0.041 0.000 0.952 134 S CA -0.664 57.567 58.200 0.052 0.000 0.930 134 S CB -0.508 62.715 63.200 0.038 0.000 0.780 134 S HN 0.691 nan 8.310 nan 0.000 0.498 135 D N 3.857 124.288 120.400 0.053 0.000 2.423 135 D HA 0.119 4.762 4.640 0.004 0.000 0.238 135 D C -1.135 175.184 176.300 0.032 0.000 1.142 135 D CA -1.274 52.750 54.000 0.041 0.000 0.884 135 D CB 0.718 41.548 40.800 0.050 0.000 1.199 135 D HN 0.083 nan 8.370 nan 0.000 0.438 136 P HA -0.200 nan 4.420 nan 0.000 0.214 136 P C 0.309 177.616 177.300 0.012 0.000 1.164 136 P CA 1.686 64.792 63.100 0.011 0.000 0.942 136 P CB -0.020 31.685 31.700 0.010 0.000 0.791 137 K N 0.246 120.658 120.400 0.021 0.000 2.174 137 K HA 0.405 4.727 4.320 0.004 0.000 0.275 137 K C -2.633 173.999 176.600 0.053 0.000 1.015 137 K CA -2.271 54.031 56.287 0.025 0.000 0.933 137 K CB 0.138 32.653 32.500 0.024 0.000 1.025 137 K HN -0.094 nan 8.250 nan 0.000 0.463 138 P HA -0.011 nan 4.420 nan 0.000 0.261 138 P C -1.145 176.266 177.300 0.184 0.000 1.183 138 P CA 0.225 63.397 63.100 0.121 0.000 0.761 138 P CB 0.645 32.403 31.700 0.097 0.000 0.785 139 T N 3.873 118.569 114.554 0.237 0.000 2.933 139 T HA 0.620 4.972 4.350 0.004 0.000 0.305 139 T C -0.013 174.797 174.700 0.183 0.000 1.092 139 T CA -0.549 61.661 62.100 0.183 0.000 1.008 139 T CB 0.824 69.763 68.868 0.119 0.000 1.102 139 T HN 0.293 nan 8.240 nan 0.000 0.469 140 I N -0.520 120.103 120.570 0.089 0.000 2.863 140 I HA 0.842 5.014 4.170 0.004 0.000 0.311 140 I C -0.517 175.638 176.117 0.065 0.000 1.026 140 I CA -0.902 60.376 61.300 -0.036 0.000 1.077 140 I CB 2.180 40.044 38.000 -0.228 0.000 1.262 140 I HN 0.563 nan 8.210 nan 0.000 0.461 141 E N 3.174 123.394 120.200 0.032 0.000 2.222 141 E HA 0.644 4.996 4.350 0.004 0.000 0.267 141 E C -1.842 174.810 176.600 0.087 0.000 0.884 141 E CA -0.815 55.631 56.400 0.078 0.000 0.764 141 E CB 2.415 32.145 29.700 0.049 0.000 1.169 141 E HN 0.599 nan 8.360 nan 0.000 0.413 142 V N 3.074 123.090 119.914 0.170 0.000 2.482 142 V HA 0.212 4.334 4.120 0.004 0.000 0.295 142 V C -0.023 176.147 176.094 0.127 0.000 1.026 142 V CA -0.866 61.510 62.300 0.127 0.000 0.856 142 V CB 1.472 33.350 31.823 0.091 0.000 1.001 142 V HN 0.886 nan 8.190 nan 0.000 0.424 143 S N 3.750 119.497 115.700 0.079 0.000 3.559 143 S HA -0.190 4.283 4.470 0.004 0.000 0.369 143 S C 1.498 176.129 174.600 0.051 0.000 0.987 143 S CA 1.510 59.744 58.200 0.057 0.000 1.187 143 S CB -1.203 62.028 63.200 0.052 0.000 0.914 143 S HN 2.374 nan 8.310 nan 0.000 0.480 144 G N -0.388 108.439 108.800 0.044 0.000 2.189 144 G HA2 -0.316 3.646 3.960 0.004 0.000 0.267 144 G HA3 -0.316 3.646 3.960 0.004 0.000 0.267 144 G C -0.082 174.818 174.900 -0.001 0.000 0.975 144 G CA 0.873 45.986 45.100 0.022 0.000 0.644 144 G HN 0.596 nan 8.290 nan 0.000 0.537 145 K N 0.262 120.663 120.400 0.002 0.000 2.203 145 K HA 0.506 4.828 4.320 0.004 0.000 0.251 145 K C 0.002 176.471 176.600 -0.218 0.000 0.944 145 K CA -0.655 55.562 56.287 -0.117 0.000 0.829 145 K CB 1.725 34.157 32.500 -0.114 0.000 1.125 145 K HN 0.168 nan 8.250 nan 0.000 0.430 146 K N 2.069 122.248 120.400 -0.368 0.000 2.138 146 K HA 0.402 4.724 4.320 0.004 0.000 0.263 146 K C -1.065 175.209 176.600 -0.544 0.000 0.965 146 K CA -0.590 55.528 56.287 -0.282 0.000 0.868 146 K CB 1.050 33.479 32.500 -0.119 0.000 1.083 146 K HN 0.398 nan 8.250 nan 0.000 0.443 147 Y N -0.334 120.001 120.300 0.057 0.000 2.492 147 Y HA 0.381 4.932 4.550 0.003 0.000 0.346 147 Y C 0.235 176.200 175.900 0.108 0.000 0.997 147 Y CA -0.838 57.331 58.100 0.114 0.000 1.025 147 Y CB 2.605 41.132 38.460 0.111 0.000 1.263 147 Y HN 0.474 nan 8.280 nan 0.000 0.454 148 T N 1.126 115.856 114.554 0.293 0.000 2.883 148 T HA 0.934 5.286 4.350 0.004 0.000 0.296 148 T C -1.557 173.299 174.700 0.260 0.000 1.117 148 T CA -0.430 61.802 62.100 0.220 0.000 1.006 148 T CB 1.369 70.321 68.868 0.140 0.000 1.191 148 T HN 0.963 nan 8.240 nan 0.000 0.508 149 A N 2.450 125.404 122.820 0.223 0.000 2.608 149 A HA 0.733 5.055 4.320 0.004 0.000 0.292 149 A C -2.517 175.170 177.584 0.172 0.000 1.066 149 A CA -1.114 51.072 52.037 0.249 0.000 0.676 149 A CB 0.981 20.185 19.000 0.340 0.000 1.277 149 A HN 0.556 nan 8.150 nan 0.000 0.413 150 P HA 0.037 nan 4.420 nan 0.000 0.230 150 P C -0.197 176.937 177.300 -0.277 0.000 1.158 150 P CA 1.270 64.306 63.100 -0.107 0.000 0.769 150 P CB -0.006 31.575 31.700 -0.198 0.000 0.807 151 H N -0.387 118.899 119.070 0.360 0.000 2.840 151 H HA 0.445 5.003 4.556 0.004 0.000 0.340 151 H C -0.330 175.339 175.328 0.569 0.000 1.004 151 H CA -0.579 55.802 56.048 0.554 0.000 1.288 151 H CB 1.749 31.852 29.762 0.568 0.000 1.607 151 H HN -0.040 nan 8.280 nan 0.000 0.522 152 I N 4.102 125.006 120.570 0.557 0.000 2.478 152 I HA 0.106 4.278 4.170 0.004 0.000 0.287 152 I C -0.795 175.541 176.117 0.365 0.000 1.042 152 I CA -0.849 60.653 61.300 0.337 0.000 1.067 152 I CB 2.581 40.737 38.000 0.259 0.000 1.233 152 I HN 0.182 nan 8.210 nan 0.000 0.431 153 L N 8.164 129.506 121.223 0.197 0.000 2.296 153 L HA 0.586 4.929 4.340 0.004 0.000 0.286 153 L C -0.749 176.181 176.870 0.099 0.000 1.023 153 L CA -0.025 54.940 54.840 0.207 0.000 0.812 153 L CB 1.160 43.258 42.059 0.066 0.000 1.223 153 L HN 0.394 nan 8.230 nan 0.000 0.421 154 I N 5.812 126.473 120.570 0.150 0.000 2.304 154 I HA 0.498 4.671 4.170 0.004 0.000 0.291 154 I C 0.347 176.514 176.117 0.083 0.000 1.018 154 I CA -0.047 61.318 61.300 0.108 0.000 1.260 154 I CB 1.376 39.473 38.000 0.161 0.000 1.390 154 I HN 0.831 nan 8.210 nan 0.000 0.475 155 A N 3.624 126.467 122.820 0.039 0.000 3.176 155 A HA 0.266 4.588 4.320 0.004 0.000 0.265 155 A C 0.807 178.407 177.584 0.026 0.000 0.936 155 A CA -0.354 51.708 52.037 0.041 0.000 1.033 155 A CB -0.339 18.678 19.000 0.028 0.000 1.158 155 A HN 0.724 nan 8.150 nan 0.000 0.485 156 T N -2.966 111.608 114.554 0.033 0.000 3.107 156 T HA 0.449 4.802 4.350 0.004 0.000 0.249 156 T C 1.308 176.030 174.700 0.037 0.000 1.096 156 T CA 0.916 63.030 62.100 0.023 0.000 1.012 156 T CB -0.181 68.699 68.868 0.020 0.000 0.977 156 T HN 2.019 nan 8.240 nan 0.000 0.527 157 G N 0.380 109.208 108.800 0.046 0.000 2.601 157 G HA2 0.224 4.187 3.960 0.004 0.000 0.252 157 G HA3 0.224 4.187 3.960 0.004 0.000 0.252 157 G C 0.068 174.997 174.900 0.049 0.000 1.294 157 G CA -0.373 44.754 45.100 0.045 0.000 0.912 157 G HN 1.153 nan 8.290 nan 0.000 0.574 158 G N -1.735 107.089 108.800 0.040 0.000 3.176 158 G HA2 0.987 4.950 3.960 0.004 0.000 0.272 158 G HA3 0.987 4.950 3.960 0.004 0.000 0.272 158 G C -0.284 174.630 174.900 0.022 0.000 1.349 158 G CA 0.209 45.331 45.100 0.037 0.000 0.953 158 G HN 1.981 nan 8.290 nan 0.000 0.559 159 M N -1.603 118.009 119.600 0.019 0.000 2.603 159 M HA 0.582 5.064 4.480 0.004 0.000 0.275 159 M C -3.232 173.080 176.300 0.020 0.000 1.226 159 M CA -1.728 53.581 55.300 0.014 0.000 0.870 159 M CB 2.319 34.919 32.600 0.001 0.000 1.716 159 M HN 0.198 nan 8.290 nan 0.000 0.482 160 P HA 0.145 nan 4.420 nan 0.000 0.271 160 P C -0.825 176.478 177.300 0.006 0.000 1.216 160 P CA -0.039 63.084 63.100 0.039 0.000 0.776 160 P CB 0.985 32.725 31.700 0.067 0.000 0.881 161 S N 1.801 117.503 115.700 0.002 0.000 2.537 161 S HA 0.533 5.005 4.470 0.004 0.000 0.275 161 S C -0.229 174.313 174.600 -0.097 0.000 1.272 161 S CA -0.170 58.001 58.200 -0.048 0.000 1.050 161 S CB -0.436 62.747 63.200 -0.028 0.000 0.961 161 S HN 0.564 nan 8.310 nan 0.000 0.496 162 T N 2.685 117.114 114.554 -0.208 0.000 2.906 162 T HA 0.692 5.044 4.350 0.004 0.000 0.295 162 T C -3.114 171.283 174.700 -0.504 0.000 1.061 162 T CA -1.803 60.061 62.100 -0.393 0.000 1.000 162 T CB 0.926 69.590 68.868 -0.340 0.000 1.103 162 T HN 0.424 nan 8.240 nan 0.000 0.486 163 P HA 0.227 nan 4.420 nan 0.000 0.269 163 P C -0.214 176.842 177.300 -0.407 0.000 1.209 163 P CA -0.348 62.426 63.100 -0.544 0.000 0.776 163 P CB 0.226 31.474 31.700 -0.752 0.000 0.876 164 H N 1.363 120.316 119.070 -0.195 0.000 2.652 164 H HA 0.004 4.561 4.556 0.002 0.000 0.349 164 H C 1.097 176.363 175.328 -0.102 0.000 1.099 164 H CA 0.223 56.197 56.048 -0.124 0.000 1.417 164 H CB 1.077 30.789 29.762 -0.083 0.000 1.457 164 H HN 0.554 nan 8.280 nan 0.000 0.568 165 E N 1.613 121.846 120.200 0.055 0.000 2.209 165 E HA -0.185 4.168 4.350 0.004 0.000 0.196 165 E C 1.938 178.563 176.600 0.042 0.000 0.993 165 E CA 1.533 57.956 56.400 0.038 0.000 0.819 165 E CB 0.197 29.920 29.700 0.039 0.000 0.745 165 E HN 0.641 nan 8.360 nan 0.000 0.477 166 S N -0.708 115.023 115.700 0.052 0.000 2.406 166 S HA -0.193 4.279 4.470 0.004 0.000 0.228 166 S C 2.068 176.676 174.600 0.014 0.000 1.020 166 S CA 1.139 59.348 58.200 0.016 0.000 0.965 166 S CB -0.132 63.054 63.200 -0.023 0.000 0.798 166 S HN 0.351 nan 8.310 nan 0.000 0.488 167 Q N 0.233 120.049 119.800 0.026 0.000 2.134 167 Q HA 0.301 4.644 4.340 0.004 0.000 0.195 167 Q C -0.106 175.904 176.000 0.016 0.000 0.958 167 Q CA 0.663 56.475 55.803 0.015 0.000 0.840 167 Q CB 0.239 28.985 28.738 0.014 0.000 0.918 167 Q HN 0.599 nan 8.270 nan 0.000 0.467 168 I N 2.600 123.176 120.570 0.009 0.000 2.437 168 I HA 0.334 4.506 4.170 0.004 0.000 0.279 168 I C -2.407 173.740 176.117 0.050 0.000 1.028 168 I CA -2.505 58.816 61.300 0.036 0.000 1.142 168 I CB 1.788 39.811 38.000 0.039 0.000 1.266 168 I HN -0.020 nan 8.210 nan 0.000 0.461 169 P HA 0.110 nan 4.420 nan 0.000 0.267 169 P C 0.923 178.271 177.300 0.079 0.000 1.205 169 P CA 0.607 63.740 63.100 0.055 0.000 0.765 169 P CB 0.745 32.472 31.700 0.045 0.000 0.828 170 G N 2.887 111.733 108.800 0.077 0.000 2.176 170 G HA2 -0.323 3.639 3.960 0.004 0.000 0.253 170 G HA3 -0.323 3.639 3.960 0.004 0.000 0.253 170 G C 1.166 176.164 174.900 0.163 0.000 0.979 170 G CA 0.343 45.502 45.100 0.099 0.000 0.641 170 G HN 0.646 nan 8.290 nan 0.000 0.530 171 A N 0.811 123.731 122.820 0.166 0.000 1.978 171 A HA 0.155 4.477 4.320 0.004 0.000 0.220 171 A C 2.629 180.388 177.584 0.292 0.000 1.170 171 A CA 2.686 54.883 52.037 0.268 0.000 0.636 171 A CB -0.700 18.245 19.000 -0.091 0.000 0.810 171 A HN 1.798 nan 8.150 nan 0.000 0.448 172 S N -0.431 115.352 115.700 0.138 0.000 2.555 172 S HA 0.055 4.527 4.470 0.004 0.000 0.230 172 S C 1.521 176.203 174.600 0.136 0.000 0.978 172 S CA 0.974 59.241 58.200 0.112 0.000 0.934 172 S CB -0.569 62.663 63.200 0.053 0.000 0.766 172 S HN 0.473 nan 8.310 nan 0.000 0.533 173 L N 1.097 122.412 121.223 0.153 0.000 2.395 173 L HA 0.238 4.581 4.340 0.004 0.000 0.218 173 L C 1.721 178.654 176.870 0.106 0.000 1.130 173 L CA 0.219 55.122 54.840 0.105 0.000 0.826 173 L CB -0.829 41.275 42.059 0.075 0.000 0.941 173 L HN 0.448 nan 8.230 nan 0.000 0.451 174 G N 0.463 109.391 108.800 0.213 0.000 2.537 174 G HA2 0.507 4.470 3.960 0.004 0.000 0.273 174 G HA3 0.507 4.470 3.960 0.004 0.000 0.273 174 G C -0.300 174.708 174.900 0.180 0.000 1.189 174 G CA -0.481 44.681 45.100 0.102 0.000 0.881 174 G HN 0.147 nan 8.290 nan 0.000 0.535 175 I N -1.957 118.666 120.570 0.089 0.000 3.100 175 I HA 0.858 5.030 4.170 0.004 0.000 0.312 175 I C 0.444 176.676 176.117 0.191 0.000 1.063 175 I CA -0.948 60.433 61.300 0.135 0.000 1.031 175 I CB 2.298 40.344 38.000 0.077 0.000 1.243 175 I HN 0.624 nan 8.210 nan 0.000 0.483 176 T N -1.526 113.133 114.554 0.175 0.000 2.804 176 T HA 0.292 4.645 4.350 0.004 0.000 0.272 176 T C 1.099 175.884 174.700 0.143 0.000 0.986 176 T CA 0.029 62.232 62.100 0.171 0.000 0.999 176 T CB 1.011 69.972 68.868 0.154 0.000 1.307 176 T HN 0.823 nan 8.240 nan 0.000 0.586 177 S N -0.060 115.716 115.700 0.127 0.000 2.419 177 S HA -0.146 4.327 4.470 0.004 0.000 0.233 177 S C 1.255 176.010 174.600 0.259 0.000 1.016 177 S CA 1.353 59.630 58.200 0.129 0.000 0.974 177 S CB -0.923 62.352 63.200 0.125 0.000 0.786 177 S HN 0.685 nan 8.310 nan 0.000 0.492 178 D N 2.239 122.779 120.400 0.233 0.000 2.117 178 D HA 0.023 4.665 4.640 0.004 0.000 0.197 178 D C 2.189 178.638 176.300 0.247 0.000 0.987 178 D CA 1.462 55.618 54.000 0.260 0.000 0.829 178 D CB -1.055 39.833 40.800 0.147 0.000 0.961 178 D HN 0.564 nan 8.370 nan 0.000 0.460 179 G N -0.170 108.736 108.800 0.176 0.000 2.422 179 G HA2 -0.250 3.712 3.960 0.004 0.000 0.218 179 G HA3 -0.250 3.712 3.960 0.004 0.000 0.218 179 G C 1.455 176.425 174.900 0.118 0.000 1.140 179 G CA 0.125 45.303 45.100 0.130 0.000 0.775 179 G HN 0.238 nan 8.290 nan 0.000 0.545 180 F N 1.048 120.966 119.950 -0.053 0.000 2.161 180 F HA -0.007 4.521 4.527 0.003 0.000 0.300 180 F C 1.816 177.531 175.800 -0.141 0.000 1.089 180 F CA 1.074 58.973 58.000 -0.169 0.000 1.282 180 F CB -0.120 38.655 39.000 -0.375 0.000 1.010 180 F HN 0.116 nan 8.300 nan 0.000 0.485 181 F N 0.195 120.265 119.950 0.199 0.000 2.811 181 F HA 0.050 4.579 4.527 0.003 0.000 0.301 181 F C 2.045 177.879 175.800 0.057 0.000 1.151 181 F CA 0.590 58.654 58.000 0.107 0.000 1.412 181 F CB -0.644 38.448 39.000 0.153 0.000 1.113 181 F HN 0.098 nan 8.300 nan 0.000 0.579 182 Q N -0.258 119.638 119.800 0.159 0.000 2.384 182 Q HA 0.179 4.521 4.340 0.004 0.000 0.207 182 Q C 0.449 176.484 176.000 0.057 0.000 0.904 182 Q CA -0.098 55.769 55.803 0.107 0.000 0.933 182 Q CB 0.439 29.228 28.738 0.084 0.000 1.077 182 Q HN 0.314 nan 8.270 nan 0.000 0.522 183 L N 2.011 123.233 121.223 -0.002 0.000 2.525 183 L HA -0.065 4.277 4.340 0.004 0.000 0.278 183 L C 1.090 177.985 176.870 0.042 0.000 1.218 183 L CA 0.594 55.374 54.840 -0.100 0.000 0.878 183 L CB 0.341 42.194 42.059 -0.344 0.000 1.127 183 L HN 0.231 nan 8.230 nan 0.000 0.492 184 E N 2.304 122.457 120.200 -0.079 0.000 2.498 184 E HA 0.070 4.423 4.350 0.004 0.000 0.203 184 E C -0.205 176.336 176.600 -0.097 0.000 1.013 184 E CA 0.086 56.509 56.400 0.038 0.000 0.927 184 E CB 0.730 30.439 29.700 0.016 0.000 1.012 184 E HN 0.713 nan 8.360 nan 0.000 0.482 185 E N 0.603 120.481 120.200 -0.537 0.000 2.433 185 E HA 0.344 4.697 4.350 0.004 0.000 0.278 185 E C -1.022 174.911 176.600 -1.110 0.000 0.976 185 E CA -1.006 55.025 56.400 -0.615 0.000 0.793 185 E CB 1.517 31.045 29.700 -0.287 0.000 1.311 185 E HN -0.090 nan 8.360 nan 0.000 0.460 186 L N 2.432 123.224 121.223 -0.717 0.000 2.361 186 L HA 0.309 4.651 4.340 0.004 0.000 0.278 186 L C -2.309 174.330 176.870 -0.384 0.000 1.113 186 L CA -1.233 53.239 54.840 -0.613 0.000 0.849 186 L CB 0.173 42.250 42.059 0.031 0.000 1.155 186 L HN 0.384 nan 8.230 nan 0.000 0.452 187 P HA 0.153 nan 4.420 nan 0.000 0.271 187 P C 0.569 177.799 177.300 -0.116 0.000 1.216 187 P CA -0.094 62.878 63.100 -0.213 0.000 0.771 187 P CB 1.053 32.642 31.700 -0.186 0.000 0.864 188 G N 2.801 111.549 108.800 -0.087 0.000 2.402 188 G HA2 -0.157 3.806 3.960 0.004 0.000 0.216 188 G HA3 -0.157 3.806 3.960 0.004 0.000 0.216 188 G C 0.613 175.489 174.900 -0.039 0.000 1.162 188 G CA 0.569 45.639 45.100 -0.049 0.000 0.777 188 G HN 0.504 nan 8.290 nan 0.000 0.539 189 R N -0.077 120.393 120.500 -0.050 0.000 2.476 189 R HA 0.592 4.934 4.340 0.004 0.000 0.305 189 R C -1.487 174.781 176.300 -0.054 0.000 0.965 189 R CA -0.258 55.816 56.100 -0.044 0.000 0.867 189 R CB 1.619 31.894 30.300 -0.042 0.000 1.176 189 R HN 0.021 nan 8.270 nan 0.000 0.447 190 S N 2.499 118.171 115.700 -0.047 0.000 2.500 190 S HA 0.597 5.069 4.470 0.004 0.000 0.301 190 S C -1.294 173.267 174.600 -0.065 0.000 1.092 190 S CA -0.703 57.464 58.200 -0.054 0.000 1.030 190 S CB 1.966 65.151 63.200 -0.026 0.000 1.031 190 S HN 0.336 nan 8.310 nan 0.000 0.483 191 V N 4.238 124.093 119.914 -0.098 0.000 2.409 191 V HA 0.522 4.644 4.120 0.004 0.000 0.291 191 V C -0.641 175.359 176.094 -0.155 0.000 1.020 191 V CA -0.515 61.714 62.300 -0.119 0.000 0.848 191 V CB 1.247 32.985 31.823 -0.141 0.000 0.990 191 V HN 0.776 nan 8.190 nan 0.000 0.430 192 I N 4.904 125.401 120.570 -0.121 0.000 2.404 192 I HA 0.531 4.703 4.170 0.004 0.000 0.293 192 I C -0.546 175.504 176.117 -0.112 0.000 0.992 192 I CA -0.786 60.441 61.300 -0.123 0.000 1.149 192 I CB 2.128 40.083 38.000 -0.075 0.000 1.315 192 I HN 0.264 nan 8.210 nan 0.000 0.446 193 V N 5.139 124.983 119.914 -0.116 0.000 2.384 193 V HA 0.947 5.069 4.120 0.004 0.000 0.287 193 V C 0.340 176.478 176.094 0.073 0.000 1.020 193 V CA -0.261 62.020 62.300 -0.033 0.000 0.850 193 V CB 0.872 32.664 31.823 -0.051 0.000 0.987 193 V HN 1.073 nan 8.190 nan 0.000 0.436 194 G N 3.729 112.568 108.800 0.065 0.000 2.347 194 G HA2 0.514 4.477 3.960 0.004 0.000 0.477 194 G HA3 0.514 4.477 3.960 0.004 0.000 0.477 194 G C -0.389 174.536 174.900 0.042 0.000 1.349 194 G CA 0.085 45.233 45.100 0.081 0.000 1.000 194 G HN 1.417 nan 8.290 nan 0.000 0.605 195 A N -0.633 122.214 122.820 0.046 0.000 2.569 195 A HA 0.798 5.120 4.320 0.004 0.000 0.284 195 A C 0.952 178.537 177.584 0.001 0.000 0.948 195 A CA 1.286 53.329 52.037 0.010 0.000 1.007 195 A CB -0.015 18.996 19.000 0.017 0.000 1.232 195 A HN 2.156 nan 8.150 nan 0.000 0.530 196 G N -1.679 107.146 108.800 0.042 0.000 2.857 196 G HA2 0.428 4.390 3.960 0.004 0.000 0.217 196 G HA3 0.428 4.390 3.960 0.004 0.000 0.217 196 G C 0.522 175.468 174.900 0.077 0.000 1.357 196 G CA -0.323 44.827 45.100 0.085 0.000 1.033 196 G HN 0.115 nan 8.290 nan 0.000 0.571 197 Y N -0.392 119.912 120.300 0.007 0.000 2.081 197 Y HA -0.148 4.404 4.550 0.004 0.000 0.280 197 Y C 2.845 178.743 175.900 -0.003 0.000 1.163 197 Y CA 1.616 59.716 58.100 0.000 0.000 1.135 197 Y CB -0.147 38.347 38.460 0.057 0.000 0.970 197 Y HN 0.175 nan 8.280 nan 0.000 0.498 198 I N -0.811 119.879 120.570 0.200 0.000 2.439 198 I HA -0.275 3.897 4.170 0.004 0.000 0.251 198 I C 2.534 178.664 176.117 0.021 0.000 1.139 198 I CA 0.885 62.240 61.300 0.092 0.000 1.438 198 I CB -0.547 37.495 38.000 0.070 0.000 1.085 198 I HN 0.217 nan 8.210 nan 0.000 0.427 199 A N 0.554 123.393 122.820 0.031 0.000 1.873 199 A HA -0.132 4.191 4.320 0.004 0.000 0.215 199 A C 2.429 180.002 177.584 -0.018 0.000 1.186 199 A CA 1.549 53.584 52.037 -0.004 0.000 0.616 199 A CB -0.867 18.138 19.000 0.010 0.000 0.823 199 A HN 0.214 nan 8.150 nan 0.000 0.442 200 V N 0.148 120.050 119.914 -0.020 0.000 2.307 200 V HA -0.253 3.870 4.120 0.004 0.000 0.245 200 V C 2.441 178.544 176.094 0.015 0.000 1.045 200 V CA 2.272 64.553 62.300 -0.031 0.000 1.024 200 V CB -0.821 30.940 31.823 -0.102 0.000 0.651 200 V HN 0.627 nan 8.190 nan 0.000 0.449 201 E N -0.504 119.715 120.200 0.030 0.000 2.077 201 E HA -0.188 4.165 4.350 0.004 0.000 0.193 201 E C 2.288 178.920 176.600 0.054 0.000 0.989 201 E CA 1.311 57.761 56.400 0.084 0.000 0.800 201 E CB -0.163 29.599 29.700 0.102 0.000 0.746 201 E HN 0.456 nan 8.360 nan 0.000 0.452 202 M N 0.127 119.688 119.600 -0.065 0.000 2.200 202 M HA -0.038 4.445 4.480 0.004 0.000 0.265 202 M C 2.504 178.769 176.300 -0.059 0.000 1.066 202 M CA 0.895 56.074 55.300 -0.202 0.000 1.127 202 M CB -0.540 31.839 32.600 -0.368 0.000 1.379 202 M HN 0.084 nan 8.290 nan 0.000 0.420 203 A N 0.672 123.480 122.820 -0.019 0.000 1.933 203 A HA -0.011 4.312 4.320 0.004 0.000 0.218 203 A C 2.396 180.010 177.584 0.049 0.000 1.175 203 A CA 1.911 53.953 52.037 0.009 0.000 0.628 203 A CB -1.364 17.634 19.000 -0.002 0.000 0.814 203 A HN 0.518 nan 8.150 nan 0.000 0.444 204 G N -0.139 108.726 108.800 0.108 0.000 2.408 204 G HA2 -0.140 3.822 3.960 0.004 0.000 0.217 204 G HA3 -0.140 3.822 3.960 0.004 0.000 0.217 204 G C 1.520 176.490 174.900 0.115 0.000 1.150 204 G CA 1.084 46.300 45.100 0.194 0.000 0.776 204 G HN 0.470 nan 8.290 nan 0.000 0.542 205 I N 0.135 120.811 120.570 0.177 0.000 2.163 205 I HA -0.071 4.101 4.170 0.004 0.000 0.240 205 I C 2.704 178.889 176.117 0.114 0.000 1.081 205 I CA 0.643 62.036 61.300 0.157 0.000 1.353 205 I CB -0.172 37.966 38.000 0.230 0.000 1.054 205 I HN 0.102 nan 8.210 nan 0.000 0.407 206 L N -0.405 120.914 121.223 0.160 0.000 2.046 206 L HA -0.223 4.119 4.340 0.004 0.000 0.208 206 L C 2.712 179.627 176.870 0.076 0.000 1.077 206 L CA 1.313 56.261 54.840 0.179 0.000 0.747 206 L CB -0.517 41.645 42.059 0.172 0.000 0.896 206 L HN 0.225 nan 8.230 nan 0.000 0.432 207 S N -0.523 115.194 115.700 0.028 0.000 2.368 207 S HA -0.138 4.335 4.470 0.004 0.000 0.224 207 S C 2.113 176.691 174.600 -0.038 0.000 1.029 207 S CA 1.167 59.364 58.200 -0.005 0.000 0.988 207 S CB -0.074 63.116 63.200 -0.017 0.000 0.838 207 S HN 0.440 nan 8.310 nan 0.000 0.462 208 A N 1.029 123.784 122.820 -0.108 0.000 1.969 208 A HA 0.124 4.447 4.320 0.004 0.000 0.218 208 A C 1.948 179.440 177.584 -0.154 0.000 1.169 208 A CA 1.049 52.980 52.037 -0.177 0.000 0.635 208 A CB -0.552 18.218 19.000 -0.384 0.000 0.810 208 A HN 0.575 nan 8.150 nan 0.000 0.445 209 L N -1.548 119.588 121.223 -0.145 0.000 2.599 209 L HA 0.202 4.545 4.340 0.004 0.000 0.230 209 L C 1.598 178.471 176.870 0.005 0.000 1.141 209 L CA 0.586 55.309 54.840 -0.195 0.000 0.877 209 L CB -0.055 41.870 42.059 -0.224 0.000 1.009 209 L HN 0.598 nan 8.230 nan 0.000 0.447 210 G N -0.886 107.932 108.800 0.030 0.000 2.192 210 G HA2 -0.236 3.726 3.960 0.004 0.000 0.193 210 G HA3 -0.236 3.726 3.960 0.004 0.000 0.193 210 G C 0.331 175.263 174.900 0.053 0.000 0.999 210 G CA 0.132 45.267 45.100 0.059 0.000 0.659 210 G HN 0.226 nan 8.290 nan 0.000 0.503 211 S N 0.421 116.152 115.700 0.052 0.000 2.564 211 S HA 0.473 4.945 4.470 0.004 0.000 0.278 211 S C 0.670 175.276 174.600 0.011 0.000 1.333 211 S CA -0.029 58.187 58.200 0.027 0.000 1.048 211 S CB 0.410 63.628 63.200 0.030 0.000 0.900 211 S HN 0.330 nan 8.310 nan 0.000 0.505 212 K N 3.383 123.782 120.400 -0.002 0.000 2.338 212 K HA 0.198 4.521 4.320 0.004 0.000 0.290 212 K C -0.458 176.133 176.600 -0.015 0.000 1.069 212 K CA 0.124 56.406 56.287 -0.009 0.000 0.941 212 K CB 0.579 33.071 32.500 -0.013 0.000 1.023 212 K HN 0.447 nan 8.250 nan 0.000 0.477 213 T N 1.529 116.075 114.554 -0.013 0.000 2.807 213 T HA 0.311 4.663 4.350 0.004 0.000 0.279 213 T C -0.475 174.211 174.700 -0.023 0.000 0.993 213 T CA -0.706 61.384 62.100 -0.017 0.000 0.970 213 T CB 1.477 70.341 68.868 -0.005 0.000 0.950 213 T HN 0.295 nan 8.240 nan 0.000 0.441 214 S N 2.261 117.941 115.700 -0.033 0.000 2.503 214 S HA 0.684 5.156 4.470 0.004 0.000 0.301 214 S C -1.119 173.455 174.600 -0.043 0.000 1.087 214 S CA -0.737 57.442 58.200 -0.036 0.000 1.042 214 S CB 1.383 64.560 63.200 -0.039 0.000 1.043 214 S HN 0.564 nan 8.310 nan 0.000 0.489 215 L N 3.425 124.625 121.223 -0.039 0.000 2.325 215 L HA 0.617 4.959 4.340 0.004 0.000 0.281 215 L C -0.776 176.069 176.870 -0.041 0.000 1.004 215 L CA -0.338 54.476 54.840 -0.042 0.000 0.823 215 L CB 1.193 43.231 42.059 -0.036 0.000 1.236 215 L HN 0.787 nan 8.230 nan 0.000 0.415 216 M N 7.361 126.935 119.600 -0.043 0.000 2.129 216 M HA 0.554 5.036 4.480 0.004 0.000 0.348 216 M C -1.127 175.161 176.300 -0.021 0.000 1.116 216 M CA -0.563 54.717 55.300 -0.033 0.000 1.022 216 M CB 0.732 33.311 32.600 -0.036 0.000 1.599 216 M HN 0.714 nan 8.290 nan 0.000 0.449 217 I N 1.385 121.931 120.570 -0.039 0.000 2.689 217 I HA 0.504 4.676 4.170 0.004 0.000 0.299 217 I C 0.151 176.214 176.117 -0.089 0.000 1.059 217 I CA -0.977 60.297 61.300 -0.045 0.000 1.055 217 I CB 2.165 40.127 38.000 -0.063 0.000 1.243 217 I HN 0.713 nan 8.210 nan 0.000 0.425 218 R N 1.537 121.994 120.500 -0.072 0.000 2.193 218 R HA 0.152 4.494 4.340 0.004 0.000 0.213 218 R C 0.487 176.482 176.300 -0.508 0.000 1.055 218 R CA 0.801 56.781 56.100 -0.201 0.000 0.995 218 R CB -0.130 30.073 30.300 -0.162 0.000 0.893 218 R HN 0.691 nan 8.270 nan 0.000 0.459 219 H N -0.829 118.054 119.070 -0.312 0.000 3.878 219 H HA 0.089 4.647 4.556 0.004 0.000 0.332 219 H C 0.316 175.008 175.328 -1.059 0.000 1.613 219 H CA -0.346 55.321 56.048 -0.635 0.000 1.413 219 H CB 0.469 30.082 29.762 -0.249 0.000 1.066 219 H HN 0.035 nan 8.280 nan 0.000 0.797 220 D N -0.036 119.979 120.400 -0.642 0.000 2.379 220 D HA 0.129 4.771 4.640 0.004 0.000 0.208 220 D C 0.068 176.254 176.300 -0.190 0.000 1.065 220 D CA 0.303 54.022 54.000 -0.469 0.000 0.848 220 D CB 1.025 41.722 40.800 -0.171 0.000 0.949 220 D HN 0.155 nan 8.370 nan 0.000 0.509 221 K N 0.136 120.454 120.400 -0.137 0.000 2.512 221 K HA 0.471 4.793 4.320 0.004 0.000 0.263 221 K C -0.570 175.977 176.600 -0.089 0.000 0.966 221 K CA -1.100 55.130 56.287 -0.095 0.000 0.851 221 K CB 3.327 35.784 32.500 -0.073 0.000 1.395 221 K HN -0.069 nan 8.250 nan 0.000 0.440 222 V N -0.784 119.072 119.914 -0.097 0.000 3.170 222 V HA 0.407 4.529 4.120 0.004 0.000 0.309 222 V C 0.533 176.541 176.094 -0.143 0.000 1.071 222 V CA -0.807 61.427 62.300 -0.110 0.000 1.063 222 V CB 0.205 31.952 31.823 -0.127 0.000 1.123 222 V HN 0.841 nan 8.190 nan 0.000 0.464 223 L N -0.201 120.924 121.223 -0.163 0.000 3.677 223 L HA -0.192 4.150 4.340 0.004 0.000 0.464 223 L C 1.756 178.610 176.870 -0.026 0.000 1.278 223 L CA 0.538 55.242 54.840 -0.226 0.000 0.806 223 L CB -1.185 40.467 42.059 -0.679 0.000 1.610 223 L HN 0.837 nan 8.230 nan 0.000 0.867 224 R N 0.129 120.631 120.500 0.004 0.000 2.235 224 R HA -0.081 4.261 4.340 0.004 0.000 0.213 224 R C 2.096 178.428 176.300 0.053 0.000 1.059 224 R CA 1.362 57.459 56.100 -0.005 0.000 0.997 224 R CB -0.061 30.189 30.300 -0.082 0.000 0.884 224 R HN 0.737 nan 8.270 nan 0.000 0.462 225 S N -0.316 115.470 115.700 0.144 0.000 2.562 225 S HA 0.047 4.520 4.470 0.004 0.000 0.221 225 S C 0.627 175.291 174.600 0.106 0.000 0.975 225 S CA -0.096 58.170 58.200 0.110 0.000 0.918 225 S CB -0.157 63.101 63.200 0.096 0.000 0.772 225 S HN 0.045 nan 8.310 nan 0.000 0.531 226 F N 2.339 122.243 119.950 -0.078 0.000 2.368 226 F HA 0.292 4.821 4.527 0.004 0.000 0.308 226 F C 1.169 176.876 175.800 -0.155 0.000 1.198 226 F CA -1.021 56.917 58.000 -0.104 0.000 1.130 226 F CB 0.285 39.216 39.000 -0.115 0.000 1.300 226 F HN 0.070 nan 8.300 nan 0.000 0.537 227 D N 0.429 120.778 120.400 -0.085 0.000 2.423 227 D HA -0.071 4.572 4.640 0.004 0.000 0.238 227 D C 1.094 177.337 176.300 -0.096 0.000 1.142 227 D CA 0.333 54.189 54.000 -0.241 0.000 0.884 227 D CB 1.183 41.602 40.800 -0.635 0.000 1.199 227 D HN 0.626 nan 8.370 nan 0.000 0.438 228 S N 3.605 119.255 115.700 -0.083 0.000 2.419 228 S HA -0.261 4.211 4.470 0.004 0.000 0.235 228 S C 2.070 176.644 174.600 -0.042 0.000 1.019 228 S CA 0.934 59.106 58.200 -0.047 0.000 0.982 228 S CB -0.272 62.905 63.200 -0.038 0.000 0.789 228 S HN 0.717 nan 8.310 nan 0.000 0.490 229 M N 0.639 120.210 119.600 -0.049 0.000 2.175 229 M HA -0.024 4.458 4.480 0.004 0.000 0.264 229 M C 1.574 177.859 176.300 -0.026 0.000 1.063 229 M CA 1.492 56.775 55.300 -0.028 0.000 1.119 229 M CB -0.211 32.380 32.600 -0.014 0.000 1.377 229 M HN 0.263 nan 8.290 nan 0.000 0.415 230 I N -0.370 120.185 120.570 -0.025 0.000 2.286 230 I HA -0.198 3.974 4.170 0.004 0.000 0.245 230 I C 2.634 178.707 176.117 -0.072 0.000 1.104 230 I CA 1.290 62.575 61.300 -0.025 0.000 1.397 230 I CB -1.674 36.349 38.000 0.039 0.000 1.072 230 I HN 0.377 nan 8.210 nan 0.000 0.417 231 S N 0.295 115.957 115.700 -0.063 0.000 2.368 231 S HA -0.172 4.300 4.470 0.004 0.000 0.225 231 S C 2.089 176.643 174.600 -0.077 0.000 1.030 231 S CA 2.266 60.412 58.200 -0.090 0.000 0.999 231 S CB -0.200 62.967 63.200 -0.055 0.000 0.844 231 S HN 0.476 nan 8.310 nan 0.000 0.459 232 T N 1.590 116.112 114.554 -0.052 0.000 2.701 232 T HA -0.049 4.303 4.350 0.004 0.000 0.263 232 T C 1.769 176.443 174.700 -0.043 0.000 1.040 232 T CA 1.590 63.665 62.100 -0.041 0.000 1.147 232 T CB -0.706 68.146 68.868 -0.027 0.000 0.865 232 T HN 0.590 nan 8.240 nan 0.000 0.426 233 N N 0.179 118.853 118.700 -0.043 0.000 2.120 233 N HA -0.104 4.638 4.740 0.004 0.000 0.188 233 N C 2.065 177.544 175.510 -0.052 0.000 1.024 233 N CA 1.227 54.252 53.050 -0.042 0.000 0.852 233 N CB -0.631 37.834 38.487 -0.038 0.000 1.003 233 N HN 0.387 nan 8.380 nan 0.000 0.424 234 C N -0.423 118.832 119.300 -0.076 0.000 2.425 234 C HA -0.031 4.431 4.460 0.004 0.000 0.277 234 C C 2.483 177.429 174.990 -0.073 0.000 1.280 234 C CA 1.534 60.498 59.018 -0.090 0.000 1.744 234 C CB -1.554 26.092 27.740 -0.157 0.000 1.989 234 C HN 0.522 nan 8.230 nan 0.000 0.491 235 T N 0.262 114.773 114.554 -0.072 0.000 2.777 235 T HA -0.134 4.218 4.350 0.004 0.000 0.266 235 T C 1.652 176.328 174.700 -0.040 0.000 1.040 235 T CA 1.631 63.695 62.100 -0.059 0.000 1.141 235 T CB -0.304 68.528 68.868 -0.061 0.000 0.868 235 T HN 0.677 nan 8.240 nan 0.000 0.444 236 E N 0.665 120.844 120.200 -0.035 0.000 2.106 236 E HA -0.108 4.245 4.350 0.004 0.000 0.192 236 E C 2.425 179.012 176.600 -0.022 0.000 0.984 236 E CA 0.677 57.062 56.400 -0.025 0.000 0.806 236 E CB 0.007 29.693 29.700 -0.022 0.000 0.750 236 E HN 0.428 nan 8.360 nan 0.000 0.458 237 E N 0.751 120.938 120.200 -0.022 0.000 2.110 237 E HA -0.151 4.201 4.350 0.004 0.000 0.193 237 E C 2.288 178.888 176.600 -0.001 0.000 0.988 237 E CA 0.590 56.985 56.400 -0.009 0.000 0.804 237 E CB -0.124 29.576 29.700 -0.001 0.000 0.745 237 E HN 0.300 nan 8.360 nan 0.000 0.458 238 L N 0.927 122.145 121.223 -0.008 0.000 2.017 238 L HA -0.209 4.133 4.340 0.004 0.000 0.208 238 L C 2.423 179.287 176.870 -0.011 0.000 1.073 238 L CA 1.354 56.192 54.840 -0.004 0.000 0.745 238 L CB -0.351 41.699 42.059 -0.016 0.000 0.894 238 L HN 0.104 nan 8.230 nan 0.000 0.432 239 E N -0.090 120.100 120.200 -0.017 0.000 2.077 239 E HA -0.211 4.141 4.350 0.004 0.000 0.193 239 E C 1.865 178.455 176.600 -0.018 0.000 0.989 239 E CA 1.241 57.630 56.400 -0.017 0.000 0.800 239 E CB -0.154 29.536 29.700 -0.017 0.000 0.746 239 E HN 0.469 nan 8.360 nan 0.000 0.452 240 N N 0.545 119.234 118.700 -0.018 0.000 2.289 240 N HA -0.099 4.643 4.740 0.004 0.000 0.184 240 N C 1.274 176.770 175.510 -0.024 0.000 1.016 240 N CA 1.059 54.096 53.050 -0.022 0.000 0.872 240 N CB -0.100 38.374 38.487 -0.023 0.000 0.973 240 N HN 0.111 nan 8.380 nan 0.000 0.433 241 A N -0.481 122.328 122.820 -0.018 0.000 2.251 241 A HA 0.461 4.783 4.320 0.004 0.000 0.209 241 A C 1.420 178.985 177.584 -0.031 0.000 1.187 241 A CA 0.665 52.688 52.037 -0.023 0.000 0.823 241 A CB -0.219 18.774 19.000 -0.011 0.000 0.846 241 A HN 0.286 nan 8.150 nan 0.000 0.486 242 G N -1.544 107.239 108.800 -0.028 0.000 2.141 242 G HA2 -0.174 3.789 3.960 0.004 0.000 0.231 242 G HA3 -0.174 3.789 3.960 0.004 0.000 0.231 242 G C 0.091 174.978 174.900 -0.021 0.000 0.984 242 G CA 0.009 45.093 45.100 -0.027 0.000 0.660 242 G HN 0.705 nan 8.290 nan 0.000 0.525 243 V N 1.139 121.043 119.914 -0.018 0.000 2.488 243 V HA 0.363 4.485 4.120 0.004 0.000 0.277 243 V C 0.861 176.944 176.094 -0.018 0.000 1.046 243 V CA -0.154 62.136 62.300 -0.016 0.000 0.986 243 V CB 1.687 33.503 31.823 -0.012 0.000 0.989 243 V HN 0.428 nan 8.190 nan 0.000 0.475 244 E N 4.245 124.433 120.200 -0.019 0.000 2.180 244 E HA 0.289 4.642 4.350 0.004 0.000 0.283 244 E C -1.073 175.513 176.600 -0.022 0.000 1.061 244 E CA -0.428 55.961 56.400 -0.019 0.000 0.861 244 E CB 1.128 30.817 29.700 -0.018 0.000 1.056 244 E HN 0.521 nan 8.360 nan 0.000 0.407 245 V N 7.037 126.938 119.914 -0.021 0.000 2.364 245 V HA 0.183 4.305 4.120 0.004 0.000 0.272 245 V C 0.156 176.236 176.094 -0.023 0.000 1.036 245 V CA -0.535 61.748 62.300 -0.029 0.000 0.880 245 V CB 0.918 32.720 31.823 -0.035 0.000 0.991 245 V HN 0.644 nan 8.190 nan 0.000 0.460 246 L N 6.292 127.500 121.223 -0.026 0.000 2.270 246 L HA 0.425 4.767 4.340 0.004 0.000 0.286 246 L C 0.422 177.277 176.870 -0.026 0.000 1.059 246 L CA -0.260 54.572 54.840 -0.013 0.000 0.839 246 L CB 0.385 42.437 42.059 -0.011 0.000 1.221 246 L HN 0.570 nan 8.230 nan 0.000 0.431 247 K N 2.774 123.165 120.400 -0.017 0.000 2.126 247 K HA 0.374 4.697 4.320 0.004 0.000 0.257 247 K C -0.062 176.546 176.600 0.013 0.000 1.007 247 K CA -0.667 55.560 56.287 -0.100 0.000 0.928 247 K CB 0.536 32.977 32.500 -0.099 0.000 1.013 247 K HN 0.253 nan 8.250 nan 0.000 0.473 248 F N -0.382 119.553 119.950 -0.025 0.000 3.048 248 F HA -0.277 4.253 4.527 0.004 0.000 0.269 248 F C -0.190 175.582 175.800 -0.047 0.000 0.960 248 F CA 0.409 58.374 58.000 -0.058 0.000 0.909 248 F CB -1.904 37.072 39.000 -0.041 0.000 0.837 248 F HN 0.245 nan 8.300 nan 0.000 0.768 249 S N -0.304 115.426 115.700 0.050 0.000 2.542 249 S HA 0.795 5.268 4.470 0.004 0.000 0.293 249 S C -0.343 174.276 174.600 0.031 0.000 1.089 249 S CA -0.858 57.370 58.200 0.047 0.000 0.961 249 S CB 3.009 66.227 63.200 0.031 0.000 1.062 249 S HN 0.287 nan 8.310 nan 0.000 0.483 250 Q N 0.973 120.800 119.800 0.045 0.000 2.379 250 Q HA 0.487 4.830 4.340 0.004 0.000 0.278 250 Q C -1.364 174.683 176.000 0.077 0.000 1.068 250 Q CA -0.840 55.001 55.803 0.064 0.000 0.816 250 Q CB 2.260 31.035 28.738 0.061 0.000 1.387 250 Q HN 0.454 nan 8.270 nan 0.000 0.413 251 V N 2.467 122.455 119.914 0.123 0.000 2.555 251 V HA 0.056 4.179 4.120 0.004 0.000 0.286 251 V C 0.921 177.096 176.094 0.134 0.000 1.044 251 V CA 0.484 62.867 62.300 0.137 0.000 1.026 251 V CB 1.212 33.177 31.823 0.238 0.000 0.981 251 V HN 0.758 nan 8.190 nan 0.000 0.480 252 K N 2.934 123.392 120.400 0.097 0.000 2.329 252 K HA 0.241 4.564 4.320 0.004 0.000 0.198 252 K C 0.523 177.173 176.600 0.083 0.000 1.085 252 K CA 0.394 56.728 56.287 0.077 0.000 0.961 252 K CB 0.713 33.244 32.500 0.052 0.000 0.971 252 K HN 0.846 nan 8.250 nan 0.000 0.502 253 E N -0.206 120.047 120.200 0.088 0.000 2.401 253 E HA 0.262 4.614 4.350 0.004 0.000 0.280 253 E C -1.935 174.717 176.600 0.085 0.000 1.039 253 E CA -0.853 55.598 56.400 0.085 0.000 0.814 253 E CB 2.198 31.932 29.700 0.056 0.000 1.275 253 E HN -0.108 nan 8.360 nan 0.000 0.448 254 V N 2.580 122.549 119.914 0.091 0.000 2.638 254 V HA 0.543 4.665 4.120 0.004 0.000 0.306 254 V C -0.751 175.375 176.094 0.053 0.000 1.052 254 V CA -0.825 61.517 62.300 0.071 0.000 0.885 254 V CB 1.838 33.722 31.823 0.102 0.000 0.999 254 V HN 0.572 nan 8.190 nan 0.000 0.424 255 K N 2.275 122.694 120.400 0.031 0.000 2.371 255 K HA 0.583 4.905 4.320 0.004 0.000 0.251 255 K C -1.008 175.601 176.600 0.014 0.000 0.934 255 K CA -1.173 55.128 56.287 0.024 0.000 0.798 255 K CB 2.772 35.282 32.500 0.018 0.000 1.204 255 K HN 0.522 nan 8.250 nan 0.000 0.427 256 K N 2.133 122.542 120.400 0.014 0.000 2.316 256 K HA 0.108 4.430 4.320 0.004 0.000 0.289 256 K C -0.205 176.396 176.600 0.002 0.000 1.070 256 K CA 0.031 56.321 56.287 0.006 0.000 0.928 256 K CB 0.431 32.937 32.500 0.009 0.000 1.039 256 K HN 0.700 nan 8.250 nan 0.000 0.480 257 T N 0.666 115.219 114.554 -0.003 0.000 2.876 257 T HA 0.294 4.647 4.350 0.004 0.000 0.277 257 T C 1.390 176.086 174.700 -0.007 0.000 0.997 257 T CA -0.794 61.303 62.100 -0.004 0.000 0.966 257 T CB 0.313 69.177 68.868 -0.006 0.000 1.312 257 T HN 0.441 nan 8.240 nan 0.000 0.598 258 L N 0.658 121.877 121.223 -0.007 0.000 2.083 258 L HA 0.026 4.368 4.340 0.004 0.000 0.209 258 L C 1.717 178.579 176.870 -0.012 0.000 1.083 258 L CA 1.423 56.258 54.840 -0.008 0.000 0.752 258 L CB -0.340 41.714 42.059 -0.007 0.000 0.899 258 L HN 0.878 nan 8.230 nan 0.000 0.433 259 S N -0.744 114.948 115.700 -0.014 0.000 2.139 259 S HA 0.625 5.097 4.470 0.004 0.000 0.183 259 S C 0.158 174.745 174.600 -0.022 0.000 1.473 259 S CA -0.147 58.042 58.200 -0.018 0.000 1.263 259 S CB 0.671 63.860 63.200 -0.017 0.000 1.170 259 S HN 0.530 nan 8.310 nan 0.000 0.430 260 G N 1.610 110.397 108.800 -0.023 0.000 2.472 260 G HA2 -0.087 3.875 3.960 0.004 0.000 0.205 260 G HA3 -0.087 3.875 3.960 0.004 0.000 0.205 260 G C -0.987 173.899 174.900 -0.023 0.000 1.270 260 G CA -0.667 44.416 45.100 -0.028 0.000 0.974 260 G HN 0.679 nan 8.290 nan 0.000 0.542 261 L N 0.616 121.822 121.223 -0.029 0.000 2.360 261 L HA 0.696 5.038 4.340 0.004 0.000 0.271 261 L C 0.526 177.381 176.870 -0.024 0.000 1.057 261 L CA -0.628 54.197 54.840 -0.024 0.000 0.803 261 L CB 1.720 43.758 42.059 -0.035 0.000 1.207 261 L HN 0.773 nan 8.230 nan 0.000 0.445 262 E N 1.513 121.704 120.200 -0.015 0.000 2.176 262 E HA 0.457 4.809 4.350 0.004 0.000 0.267 262 E C -1.729 174.865 176.600 -0.010 0.000 0.893 262 E CA -0.637 55.755 56.400 -0.013 0.000 0.761 262 E CB 2.149 31.846 29.700 -0.006 0.000 1.133 262 E HN 0.300 nan 8.360 nan 0.000 0.409 263 V N 3.654 123.557 119.914 -0.018 0.000 2.384 263 V HA 0.255 4.378 4.120 0.004 0.000 0.287 263 V C -0.273 175.819 176.094 -0.002 0.000 1.020 263 V CA -0.641 61.649 62.300 -0.017 0.000 0.850 263 V CB 1.575 33.368 31.823 -0.051 0.000 0.987 263 V HN 0.647 nan 8.190 nan 0.000 0.436 264 S N 7.257 122.966 115.700 0.016 0.000 2.475 264 S HA 0.738 5.210 4.470 0.004 0.000 0.281 264 S C -0.187 174.429 174.600 0.027 0.000 1.198 264 S CA -0.559 57.653 58.200 0.020 0.000 1.063 264 S CB 0.855 64.071 63.200 0.027 0.000 0.972 264 S HN 0.801 nan 8.310 nan 0.000 0.486 265 M N 1.351 120.964 119.600 0.021 0.000 2.619 265 M HA 0.807 5.290 4.480 0.004 0.000 0.297 265 M C -1.690 174.627 176.300 0.027 0.000 1.229 265 M CA -0.993 54.324 55.300 0.027 0.000 0.860 265 M CB 1.643 34.255 32.600 0.019 0.000 1.741 265 M HN 0.207 nan 8.290 nan 0.000 0.462 266 V N 1.249 121.183 119.914 0.034 0.000 2.417 266 V HA 0.529 4.652 4.120 0.004 0.000 0.291 266 V C -0.387 175.730 176.094 0.039 0.000 1.024 266 V CA -0.403 61.916 62.300 0.031 0.000 0.861 266 V CB 1.709 33.550 31.823 0.030 0.000 0.985 266 V HN 0.991 nan 8.190 nan 0.000 0.436 267 T N 4.152 118.729 114.554 0.038 0.000 2.758 267 T HA 0.651 5.003 4.350 0.004 0.000 0.285 267 T C 0.098 174.823 174.700 0.042 0.000 0.981 267 T CA -0.234 61.901 62.100 0.058 0.000 0.965 267 T CB 1.415 70.317 68.868 0.056 0.000 0.927 267 T HN 0.884 nan 8.240 nan 0.000 0.448 268 A N 3.704 126.558 122.820 0.056 0.000 2.842 268 A HA 0.588 4.910 4.320 0.004 0.000 0.339 268 A C -0.006 177.508 177.584 -0.116 0.000 1.177 268 A CA -0.572 51.458 52.037 -0.012 0.000 0.797 268 A CB 0.181 19.177 19.000 -0.006 0.000 1.094 268 A HN 0.679 nan 8.150 nan 0.000 0.474 269 V N 3.068 122.874 119.914 -0.180 0.000 2.521 269 V HA 0.150 4.272 4.120 0.004 0.000 0.286 269 V C -1.993 173.834 176.094 -0.444 0.000 1.034 269 V CA -0.998 61.016 62.300 -0.476 0.000 1.045 269 V CB 0.693 32.371 31.823 -0.241 0.000 0.974 269 V HN 0.646 nan 8.190 nan 0.000 0.480 270 P HA 0.166 nan 4.420 nan 0.000 0.264 270 P C 0.950 178.124 177.300 -0.211 0.000 1.183 270 P CA 1.369 64.270 63.100 -0.332 0.000 0.763 270 P CB 0.462 31.970 31.700 -0.319 0.000 0.807 271 G N 1.715 110.436 108.800 -0.132 0.000 2.179 271 G HA2 -0.257 3.705 3.960 0.004 0.000 0.260 271 G HA3 -0.257 3.705 3.960 0.004 0.000 0.260 271 G C 0.247 175.100 174.900 -0.078 0.000 0.977 271 G CA -0.158 44.889 45.100 -0.088 0.000 0.641 271 G HN 0.585 nan 8.290 nan 0.000 0.533 272 R N -1.156 119.288 120.500 -0.093 0.000 2.939 272 R HA 0.766 5.108 4.340 0.004 0.000 0.254 272 R C 0.063 176.329 176.300 -0.056 0.000 1.123 272 R CA -1.069 54.991 56.100 -0.067 0.000 1.020 272 R CB 1.030 31.289 30.300 -0.068 0.000 1.206 272 R HN 0.120 nan 8.270 nan 0.000 0.491 273 L N 2.527 123.727 121.223 -0.039 0.000 2.350 273 L HA 0.364 4.707 4.340 0.004 0.000 0.275 273 L C -1.900 174.954 176.870 -0.026 0.000 1.099 273 L CA -1.943 52.880 54.840 -0.029 0.000 0.808 273 L CB 0.696 42.744 42.059 -0.019 0.000 1.149 273 L HN 0.296 nan 8.230 nan 0.000 0.442 274 P HA 0.170 nan 4.420 nan 0.000 0.272 274 P C -1.028 176.270 177.300 -0.004 0.000 1.223 274 P CA -0.215 62.878 63.100 -0.012 0.000 0.784 274 P CB 1.395 33.091 31.700 -0.006 0.000 0.923 275 V N 3.114 123.030 119.914 0.003 0.000 2.760 275 V HA 0.478 4.600 4.120 0.004 0.000 0.309 275 V C -0.948 175.152 176.094 0.011 0.000 1.077 275 V CA -0.887 61.416 62.300 0.006 0.000 0.910 275 V CB 1.835 33.661 31.823 0.004 0.000 1.008 275 V HN 0.387 nan 8.190 nan 0.000 0.424 276 M N 4.795 124.401 119.600 0.010 0.000 2.300 276 M HA 0.546 5.028 4.480 0.004 0.000 0.348 276 M C -0.514 175.792 176.300 0.010 0.000 1.151 276 M CA -0.181 55.126 55.300 0.012 0.000 1.046 276 M CB 1.924 34.532 32.600 0.012 0.000 1.647 276 M HN 0.768 nan 8.290 nan 0.000 0.451 277 T N 3.528 118.088 114.554 0.010 0.000 2.900 277 T HA 0.626 4.979 4.350 0.004 0.000 0.295 277 T C -0.680 174.024 174.700 0.005 0.000 1.044 277 T CA -0.716 61.388 62.100 0.007 0.000 0.995 277 T CB 1.921 70.793 68.868 0.006 0.000 1.072 277 T HN 0.566 nan 8.240 nan 0.000 0.473 278 M N 2.478 122.079 119.600 0.002 0.000 2.336 278 M HA 0.534 5.017 4.480 0.004 0.000 0.342 278 M C -0.713 175.583 176.300 -0.007 0.000 1.128 278 M CA -0.532 54.768 55.300 -0.001 0.000 1.016 278 M CB 1.431 34.031 32.600 0.000 0.000 1.665 278 M HN 0.434 nan 8.290 nan 0.000 0.445 279 I N 5.644 126.207 120.570 -0.012 0.000 2.307 279 I HA 0.352 4.524 4.170 0.004 0.000 0.289 279 I C -2.087 174.017 176.117 -0.022 0.000 1.021 279 I CA -1.776 59.513 61.300 -0.020 0.000 1.224 279 I CB 0.701 38.683 38.000 -0.030 0.000 1.376 279 I HN 0.357 nan 8.210 nan 0.000 0.470 280 P HA 0.201 nan 4.420 nan 0.000 0.281 280 P C -0.712 176.574 177.300 -0.024 0.000 1.264 280 P CA -0.089 63.000 63.100 -0.019 0.000 0.824 280 P CB 0.846 32.538 31.700 -0.014 0.000 1.092 281 D N -2.002 118.383 120.400 -0.024 0.000 2.772 281 D HA -0.105 4.537 4.640 0.004 0.000 0.233 281 D C -0.306 175.972 176.300 -0.036 0.000 1.143 281 D CA 0.616 54.599 54.000 -0.027 0.000 0.700 281 D CB -2.026 38.760 40.800 -0.024 0.000 1.076 281 D HN 0.078 nan 8.370 nan 0.000 0.430 282 V N 1.020 120.909 119.914 -0.042 0.000 2.498 282 V HA 0.063 4.186 4.120 0.004 0.000 0.279 282 V C 1.486 177.545 176.094 -0.059 0.000 1.048 282 V CA -0.041 62.227 62.300 -0.055 0.000 0.967 282 V CB 1.675 33.459 31.823 -0.066 0.000 0.988 282 V HN 0.031 nan 8.190 nan 0.000 0.473 283 D N 1.864 122.224 120.400 -0.067 0.000 2.277 283 D HA 0.061 4.703 4.640 0.004 0.000 0.209 283 D C 0.464 176.712 176.300 -0.086 0.000 0.970 283 D CA 0.810 54.764 54.000 -0.075 0.000 0.874 283 D CB 0.660 41.409 40.800 -0.086 0.000 0.982 283 D HN 0.551 nan 8.370 nan 0.000 0.504 284 C N 1.518 120.763 119.300 -0.090 0.000 2.446 284 C HA 0.603 5.066 4.460 0.004 0.000 0.329 284 C C -1.382 173.537 174.990 -0.118 0.000 1.166 284 C CA -0.911 58.051 59.018 -0.094 0.000 1.341 284 C CB 0.040 27.730 27.740 -0.084 0.000 1.970 284 C HN 0.135 nan 8.230 nan 0.000 0.452 285 L N 6.860 127.989 121.223 -0.156 0.000 2.298 285 L HA 0.737 5.080 4.340 0.004 0.000 0.284 285 L C -1.059 175.608 176.870 -0.339 0.000 1.013 285 L CA -0.203 54.468 54.840 -0.281 0.000 0.824 285 L CB 1.297 43.149 42.059 -0.345 0.000 1.221 285 L HN 0.790 nan 8.230 nan 0.000 0.418 286 L N 5.506 126.531 121.223 -0.331 0.000 2.319 286 L HA 0.506 4.848 4.340 0.004 0.000 0.281 286 L C -1.300 175.425 176.870 -0.242 0.000 1.005 286 L CA -0.351 54.365 54.840 -0.206 0.000 0.828 286 L CB 0.877 42.888 42.059 -0.081 0.000 1.227 286 L HN 0.687 nan 8.230 nan 0.000 0.415 287 W N 5.143 126.448 121.300 0.008 0.000 2.388 287 W HA 0.506 5.167 4.660 0.002 0.000 0.308 287 W C 0.343 176.865 176.519 0.006 0.000 1.263 287 W CA -0.590 56.758 57.345 0.005 0.000 1.286 287 W CB 1.139 30.601 29.460 0.003 0.000 1.294 287 W HN 0.587 nan 8.180 nan 0.000 0.493 288 A N 5.474 128.434 122.820 0.233 0.000 3.258 288 A HA 0.384 4.706 4.320 0.004 0.000 0.318 288 A C 0.060 177.731 177.584 0.145 0.000 0.990 288 A CA -0.491 51.633 52.037 0.144 0.000 0.885 288 A CB -0.629 18.412 19.000 0.069 0.000 1.090 288 A HN 0.789 nan 8.150 nan 0.000 0.479 289 I N -2.591 118.073 120.570 0.157 0.000 3.936 289 I HA 0.646 4.819 4.170 0.004 0.000 0.330 289 I C 0.533 176.707 176.117 0.094 0.000 1.509 289 I CA 0.041 61.419 61.300 0.130 0.000 1.126 289 I CB 0.377 38.460 38.000 0.139 0.000 1.115 289 I HN 0.618 nan 8.210 nan 0.000 0.424 290 G N 1.360 110.215 108.800 0.091 0.000 2.353 290 G HA2 0.058 4.021 3.960 0.004 0.000 0.615 290 G HA3 0.058 4.021 3.960 0.004 0.000 0.615 290 G C -1.296 173.642 174.900 0.063 0.000 1.280 290 G CA -1.075 44.072 45.100 0.079 0.000 1.000 290 G HN 0.246 nan 8.290 nan 0.000 0.516 291 R N -1.042 119.497 120.500 0.064 0.000 2.854 291 R HA 0.782 5.124 4.340 0.004 0.000 0.271 291 R C -0.262 176.068 176.300 0.050 0.000 0.994 291 R CA -0.445 55.687 56.100 0.053 0.000 0.945 291 R CB 1.942 32.278 30.300 0.059 0.000 1.194 291 R HN 1.504 nan 8.270 nan 0.000 0.476 292 V N -1.218 118.706 119.914 0.017 0.000 2.680 292 V HA 0.629 4.751 4.120 0.004 0.000 0.309 292 V C -2.464 173.609 176.094 -0.036 0.000 1.052 292 V CA -2.646 59.635 62.300 -0.032 0.000 0.908 292 V CB 2.088 33.879 31.823 -0.053 0.000 1.001 292 V HN 0.587 nan 8.190 nan 0.000 0.431 293 P HA 0.163 nan 4.420 nan 0.000 0.272 293 P C -0.759 176.532 177.300 -0.016 0.000 1.223 293 P CA -0.095 62.983 63.100 -0.037 0.000 0.784 293 P CB 0.622 32.268 31.700 -0.090 0.000 0.923 294 N N 1.446 120.160 118.700 0.022 0.000 2.868 294 N HA 0.108 4.850 4.740 0.004 0.000 0.252 294 N C 0.498 176.039 175.510 0.051 0.000 1.130 294 N CA -0.003 53.068 53.050 0.036 0.000 1.026 294 N CB -0.470 38.044 38.487 0.046 0.000 1.335 294 N HN 0.368 nan 8.380 nan 0.000 0.516 295 T N -1.725 112.856 114.554 0.044 0.000 3.009 295 T HA 0.139 4.491 4.350 0.004 0.000 0.267 295 T C 1.476 176.219 174.700 0.072 0.000 0.942 295 T CA -0.231 61.906 62.100 0.062 0.000 0.883 295 T CB 0.166 69.062 68.868 0.047 0.000 1.192 295 T HN 0.208 nan 8.240 nan 0.000 0.524 296 K N 1.671 122.106 120.400 0.057 0.000 2.074 296 K HA -0.155 4.168 4.320 0.004 0.000 0.209 296 K C 0.704 177.355 176.600 0.086 0.000 1.048 296 K CA 1.928 58.249 56.287 0.056 0.000 0.926 296 K CB -0.194 32.329 32.500 0.039 0.000 0.713 296 K HN 0.321 nan 8.250 nan 0.000 0.444 297 D N 0.445 120.921 120.400 0.126 0.000 2.358 297 D HA 0.028 4.670 4.640 0.004 0.000 0.224 297 D C 1.146 177.601 176.300 0.258 0.000 1.123 297 D CA 0.145 54.252 54.000 0.178 0.000 0.833 297 D CB 0.383 41.280 40.800 0.162 0.000 0.946 297 D HN 0.257 nan 8.370 nan 0.000 0.505 298 L N -0.099 121.231 121.223 0.179 0.000 2.509 298 L HA -0.008 4.334 4.340 0.004 0.000 0.222 298 L C 0.552 177.572 176.870 0.249 0.000 1.123 298 L CA 0.145 55.086 54.840 0.168 0.000 0.856 298 L CB -0.027 42.150 42.059 0.197 0.000 0.985 298 L HN -0.141 nan 8.230 nan 0.000 0.456 299 S N -0.015 115.802 115.700 0.195 0.000 3.682 299 S HA -0.178 4.294 4.470 0.004 0.000 0.354 299 S C 1.241 175.951 174.600 0.184 0.000 1.034 299 S CA 0.233 58.539 58.200 0.177 0.000 1.084 299 S CB -1.800 61.505 63.200 0.175 0.000 0.903 299 S HN 0.349 nan 8.310 nan 0.000 0.470 300 L N 0.656 121.966 121.223 0.144 0.000 2.081 300 L HA -0.263 4.080 4.340 0.004 0.000 0.212 300 L C 2.303 179.147 176.870 -0.043 0.000 1.080 300 L CA 2.272 57.122 54.840 0.017 0.000 0.754 300 L CB -0.791 41.281 42.059 0.021 0.000 0.893 300 L HN 0.749 nan 8.230 nan 0.000 0.433 301 N N 0.244 118.945 118.700 0.001 0.000 2.272 301 N HA -0.229 4.513 4.740 0.004 0.000 0.185 301 N C 1.570 177.070 175.510 -0.017 0.000 1.014 301 N CA 1.082 54.127 53.050 -0.009 0.000 0.870 301 N CB -0.329 38.164 38.487 0.009 0.000 0.975 301 N HN 0.287 nan 8.380 nan 0.000 0.433 302 K N -0.196 120.203 120.400 -0.002 0.000 2.280 302 K HA 0.060 4.383 4.320 0.004 0.000 0.202 302 K C 1.061 177.635 176.600 -0.044 0.000 1.047 302 K CA 0.815 57.103 56.287 0.001 0.000 0.942 302 K CB 0.028 32.559 32.500 0.052 0.000 0.739 302 K HN 0.312 nan 8.250 nan 0.000 0.457 303 L N -1.136 120.019 121.223 -0.114 0.000 2.858 303 L HA 0.224 4.567 4.340 0.004 0.000 0.251 303 L C 0.711 177.505 176.870 -0.128 0.000 1.149 303 L CA -0.118 54.630 54.840 -0.155 0.000 0.955 303 L CB 0.862 42.739 42.059 -0.302 0.000 1.289 303 L HN 0.251 nan 8.230 nan 0.000 0.542 304 G N 1.769 110.511 108.800 -0.097 0.000 2.273 304 G HA2 -0.293 3.669 3.960 0.004 0.000 0.280 304 G HA3 -0.293 3.669 3.960 0.004 0.000 0.280 304 G C 0.136 174.985 174.900 -0.085 0.000 1.047 304 G CA -0.062 44.994 45.100 -0.073 0.000 0.869 304 G HN 0.288 nan 8.290 nan 0.000 0.502 305 I N 0.438 120.938 120.570 -0.118 0.000 2.533 305 I HA 0.098 4.270 4.170 0.004 0.000 0.284 305 I C 1.222 177.306 176.117 -0.054 0.000 1.109 305 I CA 0.127 61.362 61.300 -0.109 0.000 1.412 305 I CB 0.686 38.589 38.000 -0.161 0.000 1.396 305 I HN 0.259 nan 8.210 nan 0.000 0.543 306 Q N 4.791 124.569 119.800 -0.035 0.000 2.332 306 Q HA 0.270 4.612 4.340 0.004 0.000 0.263 306 Q C -0.088 175.915 176.000 0.004 0.000 0.979 306 Q CA -0.075 55.721 55.803 -0.013 0.000 0.885 306 Q CB 1.110 29.844 28.738 -0.007 0.000 1.218 306 Q HN 0.730 nan 8.270 nan 0.000 0.405 307 T N -1.749 112.813 114.554 0.012 0.000 2.916 307 T HA 0.398 4.751 4.350 0.004 0.000 0.292 307 T C -0.487 174.233 174.700 0.033 0.000 1.064 307 T CA -1.154 60.964 62.100 0.029 0.000 1.011 307 T CB 1.496 70.376 68.868 0.021 0.000 1.152 307 T HN 0.575 nan 8.240 nan 0.000 0.510 308 D N 0.128 120.563 120.400 0.058 0.000 2.440 308 D HA 0.155 4.798 4.640 0.004 0.000 0.269 308 D C 0.858 177.179 176.300 0.035 0.000 1.249 308 D CA -0.383 53.652 54.000 0.057 0.000 1.055 308 D CB 0.098 40.958 40.800 0.100 0.000 1.104 308 D HN 0.594 nan 8.370 nan 0.000 0.561 309 D N -1.066 119.355 120.400 0.034 0.000 2.264 309 D HA -0.159 4.483 4.640 0.004 0.000 0.208 309 D C 1.045 177.343 176.300 -0.003 0.000 0.966 309 D CA 0.936 54.946 54.000 0.015 0.000 0.864 309 D CB -0.185 40.626 40.800 0.017 0.000 0.933 309 D HN 0.259 nan 8.370 nan 0.000 0.499 310 K N -0.435 119.959 120.400 -0.010 0.000 2.426 310 K HA 0.230 4.552 4.320 0.004 0.000 0.193 310 K C 1.483 177.954 176.600 -0.215 0.000 1.028 310 K CA 0.703 56.930 56.287 -0.101 0.000 1.047 310 K CB 0.662 33.093 32.500 -0.114 0.000 0.821 310 K HN 0.373 nan 8.250 nan 0.000 0.513 311 G N 1.643 110.357 108.800 -0.144 0.000 2.176 311 G HA2 -0.230 3.733 3.960 0.004 0.000 0.232 311 G HA3 -0.230 3.733 3.960 0.004 0.000 0.232 311 G C -0.340 174.485 174.900 -0.125 0.000 0.986 311 G CA -0.140 44.885 45.100 -0.125 0.000 0.643 311 G HN 0.488 nan 8.290 nan 0.000 0.522 312 H N 0.062 119.141 119.070 0.016 0.000 2.815 312 H HA 0.477 5.036 4.556 0.005 0.000 0.350 312 H C 1.158 176.495 175.328 0.015 0.000 1.080 312 H CA 0.067 56.124 56.048 0.016 0.000 1.433 312 H CB 0.744 30.510 29.762 0.006 0.000 1.432 312 H HN 0.288 nan 8.280 nan 0.000 0.592 313 I N 4.090 124.751 120.570 0.152 0.000 2.533 313 I HA -0.042 4.130 4.170 0.004 0.000 0.284 313 I C 0.051 176.213 176.117 0.076 0.000 1.109 313 I CA -0.119 61.236 61.300 0.091 0.000 1.412 313 I CB 0.384 38.435 38.000 0.084 0.000 1.396 313 I HN 0.380 nan 8.210 nan 0.000 0.543 314 I N 7.702 128.301 120.570 0.049 0.000 2.416 314 I HA 0.189 4.361 4.170 0.004 0.000 0.288 314 I C 0.323 176.455 176.117 0.025 0.000 1.051 314 I CA 0.022 61.338 61.300 0.026 0.000 1.375 314 I CB 0.674 38.684 38.000 0.017 0.000 1.407 314 I HN 0.282 nan 8.210 nan 0.000 0.516 315 V N 3.172 123.095 119.914 0.014 0.000 3.074 315 V HA 0.716 4.838 4.120 0.004 0.000 0.314 315 V C -0.423 175.683 176.094 0.019 0.000 1.117 315 V CA -0.968 61.354 62.300 0.037 0.000 1.014 315 V CB 2.106 33.967 31.823 0.063 0.000 1.057 315 V HN 0.711 nan 8.190 nan 0.000 0.438 316 D N 0.663 121.100 120.400 0.060 0.000 2.469 316 D HA 0.175 4.818 4.640 0.004 0.000 0.278 316 D C 0.945 177.253 176.300 0.014 0.000 1.231 316 D CA 0.161 54.191 54.000 0.051 0.000 1.075 316 D CB 0.414 41.288 40.800 0.122 0.000 1.121 316 D HN 0.853 nan 8.370 nan 0.000 0.571 317 E N -1.126 119.032 120.200 -0.070 0.000 2.418 317 E HA -0.084 4.269 4.350 0.004 0.000 0.197 317 E C 0.622 177.025 176.600 -0.328 0.000 1.026 317 E CA 0.508 56.767 56.400 -0.234 0.000 0.862 317 E CB -0.490 28.985 29.700 -0.376 0.000 0.799 317 E HN 0.362 nan 8.360 nan 0.000 0.518 318 F N 1.093 121.096 119.950 0.088 0.000 2.641 318 F HA 0.226 4.755 4.527 0.004 0.000 0.302 318 F C 0.350 176.220 175.800 0.116 0.000 1.098 318 F CA -0.303 57.750 58.000 0.088 0.000 1.318 318 F CB 0.584 39.626 39.000 0.071 0.000 1.035 318 F HN -0.165 nan 8.300 nan 0.000 0.551 319 Q N -1.064 118.879 119.800 0.238 0.000 2.460 319 Q HA -0.218 4.124 4.340 0.004 0.000 0.248 319 Q C -0.799 175.393 176.000 0.320 0.000 0.847 319 Q CA 0.444 56.389 55.803 0.237 0.000 1.214 319 Q CB -2.440 26.435 28.738 0.228 0.000 1.523 319 Q HN 0.386 nan 8.270 nan 0.000 0.602 320 N N 1.937 120.832 118.700 0.325 0.000 2.513 320 N HA 0.153 4.895 4.740 0.004 0.000 0.268 320 N C 0.872 176.460 175.510 0.130 0.000 1.180 320 N CA 0.815 54.032 53.050 0.279 0.000 0.948 320 N CB 0.958 39.586 38.487 0.234 0.000 1.083 320 N HN 0.392 nan 8.380 nan 0.000 0.455 321 T N -1.037 113.541 114.554 0.041 0.000 2.753 321 T HA 0.056 4.408 4.350 0.004 0.000 0.309 321 T C 1.400 176.090 174.700 -0.016 0.000 1.043 321 T CA -0.538 61.562 62.100 0.001 0.000 0.964 321 T CB 0.333 69.174 68.868 -0.046 0.000 1.206 321 T HN 0.548 nan 8.240 nan 0.000 0.528 322 N N -0.449 118.234 118.700 -0.028 0.000 2.512 322 N HA -0.036 4.706 4.740 0.004 0.000 0.183 322 N C 0.051 175.528 175.510 -0.054 0.000 1.073 322 N CA 0.162 53.194 53.050 -0.030 0.000 0.911 322 N CB -0.475 37.996 38.487 -0.026 0.000 0.964 322 N HN 0.390 nan 8.380 nan 0.000 0.447 323 V N 1.464 121.323 119.914 -0.091 0.000 2.394 323 V HA 0.178 4.301 4.120 0.004 0.000 0.282 323 V C 0.347 176.359 176.094 -0.137 0.000 1.031 323 V CA -1.051 61.181 62.300 -0.113 0.000 0.881 323 V CB 1.368 33.100 31.823 -0.152 0.000 0.982 323 V HN 0.059 nan 8.190 nan 0.000 0.451 324 K N 3.259 123.598 120.400 -0.101 0.000 2.491 324 K HA 0.315 4.637 4.320 0.004 0.000 0.279 324 K C 1.242 177.749 176.600 -0.154 0.000 1.026 324 K CA 1.045 57.272 56.287 -0.100 0.000 1.070 324 K CB 0.177 32.648 32.500 -0.050 0.000 0.887 324 K HN 1.150 nan 8.250 nan 0.000 0.481 325 G N 2.612 111.274 108.800 -0.231 0.000 2.176 325 G HA2 -0.253 3.709 3.960 0.004 0.000 0.253 325 G HA3 -0.253 3.709 3.960 0.004 0.000 0.253 325 G C 0.055 174.679 174.900 -0.459 0.000 0.979 325 G CA -0.287 44.669 45.100 -0.239 0.000 0.641 325 G HN 0.548 nan 8.290 nan 0.000 0.530 326 I N 0.207 120.381 120.570 -0.660 0.000 2.465 326 I HA 0.636 4.808 4.170 0.004 0.000 0.291 326 I C -0.219 175.496 176.117 -0.670 0.000 1.014 326 I CA -1.196 59.805 61.300 -0.498 0.000 1.093 326 I CB 1.501 39.368 38.000 -0.221 0.000 1.267 326 I HN 0.039 nan 8.210 nan 0.000 0.431 327 Y N 3.768 124.161 120.300 0.155 0.000 2.634 327 Y HA 0.854 5.407 4.550 0.004 0.000 0.340 327 Y C -0.018 175.961 175.900 0.132 0.000 1.058 327 Y CA -1.140 57.047 58.100 0.145 0.000 1.081 327 Y CB 1.902 40.471 38.460 0.181 0.000 1.295 327 Y HN 0.569 nan 8.280 nan 0.000 0.487 328 A N 0.759 123.744 122.820 0.276 0.000 2.520 328 A HA 0.846 5.169 4.320 0.004 0.000 0.298 328 A C -1.420 176.269 177.584 0.176 0.000 1.051 328 A CA -0.556 51.594 52.037 0.189 0.000 0.690 328 A CB 1.247 20.330 19.000 0.138 0.000 1.281 328 A HN 1.159 nan 8.150 nan 0.000 0.402 329 V N -0.745 119.257 119.914 0.147 0.000 3.160 329 V HA 1.018 5.140 4.120 0.004 0.000 0.310 329 V C 0.558 176.717 176.094 0.109 0.000 1.181 329 V CA 0.187 62.568 62.300 0.135 0.000 1.047 329 V CB 0.901 32.804 31.823 0.132 0.000 1.068 329 V HN 2.960 nan 8.190 nan 0.000 0.441 330 G N 1.549 110.414 108.800 0.108 0.000 2.593 330 G HA2 -0.208 3.754 3.960 0.004 0.000 0.237 330 G HA3 -0.208 3.754 3.960 0.004 0.000 0.237 330 G C 0.036 174.983 174.900 0.078 0.000 1.312 330 G CA 0.687 45.838 45.100 0.086 0.000 0.896 330 G HN 1.064 nan 8.290 nan 0.000 0.574 331 D N -0.615 119.825 120.400 0.067 0.000 2.264 331 D HA 0.024 4.667 4.640 0.004 0.000 0.208 331 D C 2.450 178.818 176.300 0.113 0.000 0.966 331 D CA 1.137 55.179 54.000 0.070 0.000 0.864 331 D CB -0.057 40.777 40.800 0.057 0.000 0.933 331 D HN 0.463 nan 8.370 nan 0.000 0.499 332 V N -0.270 119.710 119.914 0.110 0.000 2.720 332 V HA -0.206 3.917 4.120 0.004 0.000 0.256 332 V C 1.742 177.950 176.094 0.189 0.000 1.082 332 V CA 1.297 63.681 62.300 0.141 0.000 1.101 332 V CB -0.202 31.682 31.823 0.102 0.000 0.693 332 V HN 0.311 nan 8.190 nan 0.000 0.479 333 C N 0.233 119.604 119.300 0.118 0.000 2.673 333 C HA 0.472 4.934 4.460 0.004 0.000 0.264 333 C C 1.944 176.867 174.990 -0.112 0.000 1.304 333 C CA 0.211 59.260 59.018 0.051 0.000 1.727 333 C CB -0.712 27.039 27.740 0.018 0.000 1.932 333 C HN 0.836 nan 8.230 nan 0.000 0.563 334 G N 1.308 110.026 108.800 -0.136 0.000 2.136 334 G HA2 -0.257 3.705 3.960 0.004 0.000 0.242 334 G HA3 -0.257 3.705 3.960 0.004 0.000 0.242 334 G C -0.100 174.605 174.900 -0.325 0.000 0.989 334 G CA 0.524 45.326 45.100 -0.497 0.000 0.682 334 G HN 0.605 nan 8.290 nan 0.000 0.522 335 K N -0.037 120.259 120.400 -0.173 0.000 2.376 335 K HA 0.651 4.973 4.320 0.004 0.000 0.257 335 K C 0.549 177.143 176.600 -0.011 0.000 0.939 335 K CA -0.104 56.100 56.287 -0.138 0.000 0.809 335 K CB 1.227 33.577 32.500 -0.251 0.000 1.121 335 K HN 1.689 nan 8.250 nan 0.000 0.425 336 A N 4.459 127.287 122.820 0.012 0.000 2.018 336 A HA -0.142 4.181 4.320 0.004 0.000 0.263 336 A C -0.475 177.132 177.584 0.038 0.000 1.361 336 A CA 0.336 52.410 52.037 0.063 0.000 0.737 336 A CB -1.711 17.394 19.000 0.175 0.000 1.189 336 A HN 0.756 nan 8.150 nan 0.000 0.304 337 L N 2.265 123.477 121.223 -0.018 0.000 2.387 337 L HA 0.473 4.815 4.340 0.004 0.000 0.267 337 L C 0.112 176.944 176.870 -0.064 0.000 1.197 337 L CA 0.168 54.990 54.840 -0.030 0.000 1.070 337 L CB -0.324 41.708 42.059 -0.045 0.000 1.349 337 L HN 0.600 nan 8.230 nan 0.000 0.422 338 L N 0.636 121.846 121.223 -0.021 0.000 2.434 338 L HA 0.333 4.675 4.340 0.004 0.000 0.260 338 L C 1.118 177.991 176.870 0.006 0.000 0.983 338 L CA -0.446 54.381 54.840 -0.022 0.000 0.820 338 L CB 2.300 44.354 42.059 -0.007 0.000 1.361 338 L HN 0.126 nan 8.230 nan 0.000 0.410 339 T N 0.999 115.560 114.554 0.011 0.000 2.652 339 T HA -0.074 4.278 4.350 0.004 0.000 0.267 339 T C -1.162 173.552 174.700 0.023 0.000 1.039 339 T CA 1.876 63.989 62.100 0.021 0.000 1.153 339 T CB -0.508 68.375 68.868 0.025 0.000 0.863 339 T HN 0.473 nan 8.240 nan 0.000 0.428 340 P HA 0.064 nan 4.420 nan 0.000 0.226 340 P C 1.384 178.679 177.300 -0.009 0.000 1.153 340 P CA 0.403 63.508 63.100 0.010 0.000 0.777 340 P CB -0.109 31.598 31.700 0.012 0.000 0.794 341 V N 0.171 120.080 119.914 -0.008 0.000 2.407 341 V HA -0.165 3.957 4.120 0.004 0.000 0.245 341 V C 2.479 178.573 176.094 -0.000 0.000 1.041 341 V CA 2.028 64.309 62.300 -0.032 0.000 1.040 341 V CB -1.603 30.224 31.823 0.005 0.000 0.671 341 V HN 0.092 nan 8.190 nan 0.000 0.455 342 A N 0.111 122.949 122.820 0.031 0.000 1.902 342 A HA -0.185 4.138 4.320 0.004 0.000 0.217 342 A C 2.184 179.791 177.584 0.038 0.000 1.181 342 A CA 1.948 54.014 52.037 0.048 0.000 0.623 342 A CB -0.537 18.491 19.000 0.047 0.000 0.818 342 A HN 0.491 nan 8.150 nan 0.000 0.443 343 I N -0.371 120.213 120.570 0.025 0.000 2.142 343 I HA -0.283 3.890 4.170 0.004 0.000 0.240 343 I C 3.012 179.137 176.117 0.014 0.000 1.078 343 I CA 1.154 62.466 61.300 0.021 0.000 1.343 343 I CB -0.367 37.642 38.000 0.015 0.000 1.046 343 I HN 0.360 nan 8.210 nan 0.000 0.405 344 A N 0.646 123.461 122.820 -0.009 0.000 1.877 344 A HA -0.170 4.152 4.320 0.004 0.000 0.216 344 A C 2.530 180.102 177.584 -0.020 0.000 1.186 344 A CA 1.913 53.933 52.037 -0.027 0.000 0.620 344 A CB -0.946 18.010 19.000 -0.074 0.000 0.822 344 A HN 0.439 nan 8.150 nan 0.000 0.443 345 A N -0.475 122.332 122.820 -0.022 0.000 1.902 345 A HA 0.102 4.425 4.320 0.004 0.000 0.217 345 A C 2.437 180.057 177.584 0.060 0.000 1.181 345 A CA 2.002 54.053 52.037 0.022 0.000 0.623 345 A CB -1.456 17.595 19.000 0.085 0.000 0.818 345 A HN 0.765 nan 8.150 nan 0.000 0.443 346 G N -0.634 108.206 108.800 0.065 0.000 2.440 346 G HA2 -0.242 3.720 3.960 0.004 0.000 0.218 346 G HA3 -0.242 3.720 3.960 0.004 0.000 0.218 346 G C 1.798 176.744 174.900 0.077 0.000 1.154 346 G CA 0.978 46.128 45.100 0.083 0.000 0.767 346 G HN 0.574 nan 8.290 nan 0.000 0.552 347 R N 0.007 120.546 120.500 0.065 0.000 2.073 347 R HA 0.040 4.382 4.340 0.004 0.000 0.229 347 R C 2.633 179.019 176.300 0.144 0.000 1.120 347 R CA 0.986 57.141 56.100 0.090 0.000 0.967 347 R CB -0.147 30.212 30.300 0.098 0.000 0.862 347 R HN 0.127 nan 8.270 nan 0.000 0.436 348 K N 0.833 121.294 120.400 0.103 0.000 2.097 348 K HA -0.144 4.178 4.320 0.004 0.000 0.206 348 K C 2.064 178.706 176.600 0.070 0.000 1.049 348 K CA 0.855 57.202 56.287 0.099 0.000 0.933 348 K CB -0.387 32.139 32.500 0.043 0.000 0.717 348 K HN 0.103 nan 8.250 nan 0.000 0.442 349 L N 1.172 122.414 121.223 0.031 0.000 2.017 349 L HA -0.087 4.255 4.340 0.004 0.000 0.208 349 L C 2.225 178.994 176.870 -0.169 0.000 1.073 349 L CA 1.950 56.754 54.840 -0.060 0.000 0.745 349 L CB -0.851 41.189 42.059 -0.032 0.000 0.894 349 L HN 0.133 nan 8.230 nan 0.000 0.432 350 A N -1.228 121.535 122.820 -0.097 0.000 1.908 350 A HA -0.272 4.051 4.320 0.004 0.000 0.218 350 A C 2.244 179.694 177.584 -0.223 0.000 1.181 350 A CA 1.913 53.861 52.037 -0.147 0.000 0.627 350 A CB -1.069 17.867 19.000 -0.107 0.000 0.818 350 A HN 0.701 nan 8.150 nan 0.000 0.445 351 H N -1.019 117.993 119.070 -0.097 0.000 2.387 351 H HA -0.114 4.445 4.556 0.004 0.000 0.299 351 H C 2.317 177.529 175.328 -0.193 0.000 1.090 351 H CA 1.778 57.760 56.048 -0.110 0.000 1.332 351 H CB -0.154 29.572 29.762 -0.060 0.000 1.386 351 H HN 0.581 nan 8.280 nan 0.000 0.516 352 R N 0.898 121.339 120.500 -0.098 0.000 2.073 352 R HA -0.101 4.242 4.340 0.004 0.000 0.234 352 R C 2.406 178.436 176.300 -0.450 0.000 1.134 352 R CA 1.115 57.096 56.100 -0.198 0.000 0.952 352 R CB -0.148 30.071 30.300 -0.135 0.000 0.850 352 R HN 0.205 nan 8.270 nan 0.000 0.433 353 L N -0.894 119.907 121.223 -0.703 0.000 2.072 353 L HA -0.049 4.293 4.340 0.004 0.000 0.205 353 L C 1.551 177.513 176.870 -1.513 0.000 1.079 353 L CA 1.051 55.153 54.840 -1.230 0.000 0.752 353 L CB -0.154 40.804 42.059 -1.834 0.000 0.906 353 L HN 0.183 nan 8.230 nan 0.000 0.436 354 F N -1.507 118.008 119.950 -0.725 0.000 2.706 354 F HA 0.138 4.667 4.527 0.004 0.000 0.308 354 F C 2.026 177.468 175.800 -0.596 0.000 1.095 354 F CA -0.029 57.559 58.000 -0.687 0.000 1.244 354 F CB 0.186 38.903 39.000 -0.472 0.000 1.063 354 F HN -0.034 nan 8.300 nan 0.000 0.582 355 E N -1.051 118.919 120.200 -0.383 0.000 2.526 355 E HA 0.037 4.389 4.350 0.004 0.000 0.208 355 E C -0.274 176.304 176.600 -0.037 0.000 0.997 355 E CA -0.008 56.327 56.400 -0.108 0.000 0.961 355 E CB 0.238 29.984 29.700 0.077 0.000 1.030 355 E HN 0.330 nan 8.360 nan 0.000 0.483 356 Y N -0.398 119.863 120.300 -0.066 0.000 4.177 356 Y HA -0.274 4.279 4.550 0.004 0.000 0.227 356 Y C -0.269 175.602 175.900 -0.048 0.000 1.154 356 Y CA 0.608 58.664 58.100 -0.074 0.000 1.887 356 Y CB -2.049 36.382 38.460 -0.048 0.000 1.594 356 Y HN -0.022 nan 8.280 nan 0.000 0.668 357 K N 2.044 122.453 120.400 0.016 0.000 2.171 357 K HA 0.082 4.404 4.320 0.004 0.000 0.274 357 K C 0.986 177.586 176.600 -0.001 0.000 1.110 357 K CA 0.405 56.708 56.287 0.028 0.000 0.952 357 K CB 0.281 32.802 32.500 0.034 0.000 1.309 357 K HN 0.635 nan 8.250 nan 0.000 0.414 358 E N 1.198 121.395 120.200 -0.006 0.000 2.338 358 E HA -0.191 4.162 4.350 0.004 0.000 0.197 358 E C 0.494 177.063 176.600 -0.051 0.000 1.007 358 E CA 1.187 57.542 56.400 -0.074 0.000 0.849 358 E CB 0.039 29.692 29.700 -0.078 0.000 0.774 358 E HN 0.466 nan 8.360 nan 0.000 0.506 359 D N 1.048 121.484 120.400 0.060 0.000 2.342 359 D HA -0.014 4.628 4.640 0.004 0.000 0.221 359 D C 0.034 176.464 176.300 0.216 0.000 1.101 359 D CA -0.247 53.864 54.000 0.186 0.000 0.837 359 D CB 0.222 41.095 40.800 0.122 0.000 0.938 359 D HN 0.020 nan 8.370 nan 0.000 0.508 360 S N 0.616 116.412 115.700 0.161 0.000 2.422 360 S HA 0.371 4.844 4.470 0.004 0.000 0.283 360 S C -0.226 174.482 174.600 0.181 0.000 1.163 360 S CA -0.552 57.719 58.200 0.119 0.000 1.054 360 S CB -0.079 63.163 63.200 0.069 0.000 0.967 360 S HN 0.425 nan 8.310 nan 0.000 0.499 361 K N 3.039 123.500 120.400 0.102 0.000 2.579 361 K HA 0.532 4.854 4.320 0.004 0.000 0.284 361 K C -1.733 174.851 176.600 -0.027 0.000 0.990 361 K CA -1.170 55.144 56.287 0.045 0.000 0.880 361 K CB 0.585 33.025 32.500 -0.101 0.000 1.488 361 K HN 0.393 nan 8.250 nan 0.000 0.425 362 L N 1.890 123.077 121.223 -0.060 0.000 2.290 362 L HA 0.313 4.655 4.340 0.004 0.000 0.284 362 L C -0.771 175.986 176.870 -0.188 0.000 1.078 362 L CA 0.257 54.987 54.840 -0.184 0.000 0.815 362 L CB 1.000 42.843 42.059 -0.360 0.000 1.162 362 L HN 0.731 nan 8.230 nan 0.000 0.435 363 D N 3.406 123.708 120.400 -0.163 0.000 2.339 363 D HA 0.008 4.651 4.640 0.004 0.000 0.256 363 D C 0.134 176.341 176.300 -0.156 0.000 1.214 363 D CA 0.352 54.299 54.000 -0.089 0.000 0.877 363 D CB 0.393 41.160 40.800 -0.055 0.000 1.111 363 D HN 0.517 nan 8.370 nan 0.000 0.478 364 Y N 2.143 122.419 120.300 -0.041 0.000 2.529 364 Y HA 0.094 4.646 4.550 0.004 0.000 0.290 364 Y C 0.858 176.743 175.900 -0.024 0.000 1.177 364 Y CA -0.261 57.819 58.100 -0.032 0.000 1.305 364 Y CB 0.068 38.504 38.460 -0.040 0.000 1.047 364 Y HN 0.260 nan 8.280 nan 0.000 0.522 365 N N 0.733 119.480 118.700 0.079 0.000 2.515 365 N HA 0.035 4.777 4.740 0.004 0.000 0.279 365 N C -0.056 175.468 175.510 0.024 0.000 1.164 365 N CA -0.069 53.011 53.050 0.050 0.000 0.982 365 N CB 0.481 38.993 38.487 0.042 0.000 1.170 365 N HN 0.272 nan 8.380 nan 0.000 0.474 366 N N -0.469 118.247 118.700 0.026 0.000 2.735 366 N HA -0.194 4.548 4.740 0.004 0.000 0.248 366 N C -0.805 174.708 175.510 0.004 0.000 1.083 366 N CA 0.143 53.203 53.050 0.017 0.000 0.703 366 N CB -1.188 37.312 38.487 0.022 0.000 1.005 366 N HN 0.515 nan 8.380 nan 0.000 0.550 367 I N 1.637 122.208 120.570 0.003 0.000 2.452 367 I HA 0.187 4.359 4.170 0.004 0.000 0.287 367 I C -1.470 174.651 176.117 0.008 0.000 1.079 367 I CA -1.408 59.890 61.300 -0.004 0.000 1.387 367 I CB 0.389 38.389 38.000 -0.001 0.000 1.404 367 I HN -0.046 nan 8.210 nan 0.000 0.522 368 P HA 0.268 nan 4.420 nan 0.000 0.282 368 P C -0.654 176.669 177.300 0.039 0.000 1.259 368 P CA -0.361 62.751 63.100 0.021 0.000 0.826 368 P CB 1.866 33.582 31.700 0.027 0.000 1.064 369 T N -0.028 114.557 114.554 0.052 0.000 2.923 369 T HA 0.439 4.792 4.350 0.004 0.000 0.311 369 T C -1.568 173.164 174.700 0.053 0.000 1.183 369 T CA -0.450 61.710 62.100 0.100 0.000 1.020 369 T CB 1.028 70.025 68.868 0.216 0.000 1.165 369 T HN 0.097 nan 8.240 nan 0.000 0.482 370 V N 4.217 124.118 119.914 -0.022 0.000 2.604 370 V HA 0.599 4.722 4.120 0.004 0.000 0.305 370 V C -0.286 175.611 176.094 -0.329 0.000 1.043 370 V CA -0.683 61.453 62.300 -0.274 0.000 0.888 370 V CB 2.040 33.515 31.823 -0.580 0.000 0.995 370 V HN 0.802 nan 8.190 nan 0.000 0.429 371 V N 5.044 124.740 119.914 -0.363 0.000 2.383 371 V HA 0.369 4.492 4.120 0.004 0.000 0.275 371 V C -0.215 175.575 176.094 -0.506 0.000 1.036 371 V CA -0.330 61.764 62.300 -0.343 0.000 0.889 371 V CB 1.078 32.645 31.823 -0.426 0.000 0.985 371 V HN 0.727 nan 8.190 nan 0.000 0.459 372 F N 3.632 123.409 119.950 -0.288 0.000 2.669 372 F HA 0.220 4.749 4.527 0.004 0.000 0.353 372 F C 1.454 177.088 175.800 -0.277 0.000 1.192 372 F CA -0.237 57.405 58.000 -0.596 0.000 1.317 372 F CB -0.287 38.085 39.000 -1.046 0.000 1.652 372 F HN 0.596 nan 8.300 nan 0.000 0.608 373 S N -0.723 114.929 115.700 -0.080 0.000 2.632 373 S HA 0.367 4.840 4.470 0.004 0.000 0.267 373 S C -0.327 174.238 174.600 -0.057 0.000 1.193 373 S CA -0.747 57.449 58.200 -0.007 0.000 1.003 373 S CB 0.691 63.862 63.200 -0.049 0.000 1.073 373 S HN 0.381 nan 8.310 nan 0.000 0.553 374 H N 1.275 120.460 119.070 0.192 0.000 2.762 374 H HA 0.442 5.000 4.556 0.004 0.000 0.310 374 H C -2.645 172.725 175.328 0.070 0.000 1.004 374 H CA -1.510 54.619 56.048 0.137 0.000 1.267 374 H CB 0.970 30.754 29.762 0.036 0.000 1.437 374 H HN 0.464 nan 8.280 nan 0.000 0.498 375 P HA 0.133 nan 4.420 nan 0.000 0.274 375 P C -2.549 174.798 177.300 0.078 0.000 1.246 375 P CA -1.571 61.608 63.100 0.130 0.000 0.795 375 P CB 0.230 31.989 31.700 0.099 0.000 1.006 376 P HA 0.241 nan 4.420 nan 0.000 0.274 376 P C -0.427 176.811 177.300 -0.103 0.000 1.237 376 P CA 0.185 63.249 63.100 -0.059 0.000 0.793 376 P CB 0.659 32.287 31.700 -0.119 0.000 0.977 377 I N 0.386 120.846 120.570 -0.184 0.000 2.493 377 I HA 0.569 4.741 4.170 0.004 0.000 0.298 377 I C 0.748 176.792 176.117 -0.121 0.000 0.998 377 I CA -0.398 60.828 61.300 -0.124 0.000 1.137 377 I CB 2.000 39.906 38.000 -0.156 0.000 1.310 377 I HN 0.351 nan 8.210 nan 0.000 0.445 378 G N 2.295 111.075 108.800 -0.034 0.000 2.590 378 G HA2 0.610 4.572 3.960 0.004 0.000 0.310 378 G HA3 0.610 4.572 3.960 0.004 0.000 0.310 378 G C -1.223 173.705 174.900 0.046 0.000 1.347 378 G CA -0.354 44.738 45.100 -0.014 0.000 0.963 378 G HN 0.474 nan 8.290 nan 0.000 0.494 379 T N -0.289 114.298 114.554 0.055 0.000 2.956 379 T HA 0.642 4.995 4.350 0.004 0.000 0.312 379 T C -1.612 173.069 174.700 -0.031 0.000 1.151 379 T CA -0.520 61.602 62.100 0.037 0.000 1.024 379 T CB 1.902 70.881 68.868 0.185 0.000 1.140 379 T HN 1.125 nan 8.240 nan 0.000 0.473 380 V N 4.240 124.081 119.914 -0.121 0.000 2.851 380 V HA 0.849 4.971 4.120 0.004 0.000 0.307 380 V C 0.379 176.409 176.094 -0.107 0.000 1.129 380 V CA 1.114 63.373 62.300 -0.069 0.000 0.932 380 V CB 1.063 32.875 31.823 -0.018 0.000 1.024 380 V HN 1.796 nan 8.190 nan 0.000 0.426 381 G N 4.874 113.656 108.800 -0.030 0.000 2.545 381 G HA2 -0.127 3.835 3.960 0.004 0.000 0.216 381 G HA3 -0.127 3.835 3.960 0.004 0.000 0.216 381 G C -0.794 174.144 174.900 0.064 0.000 1.314 381 G CA -0.224 44.878 45.100 0.004 0.000 0.906 381 G HN 1.165 nan 8.290 nan 0.000 0.563 382 L N 1.744 123.029 121.223 0.103 0.000 2.350 382 L HA 0.496 4.839 4.340 0.004 0.000 0.275 382 L C 1.769 178.792 176.870 0.254 0.000 1.099 382 L CA -0.115 54.811 54.840 0.143 0.000 0.808 382 L CB 1.223 43.370 42.059 0.148 0.000 1.149 382 L HN 1.043 nan 8.230 nan 0.000 0.442 383 T N -2.052 112.573 114.554 0.119 0.000 2.766 383 T HA 0.004 4.357 4.350 0.004 0.000 0.295 383 T C 0.990 175.705 174.700 0.024 0.000 1.024 383 T CA -0.425 61.645 62.100 -0.051 0.000 1.018 383 T CB 1.104 69.887 68.868 -0.143 0.000 1.002 383 T HN 0.770 nan 8.240 nan 0.000 0.532 384 E N 0.283 120.464 120.200 -0.032 0.000 2.118 384 E HA -0.236 4.117 4.350 0.004 0.000 0.195 384 E C 1.281 177.897 176.600 0.026 0.000 0.992 384 E CA 1.692 58.100 56.400 0.013 0.000 0.804 384 E CB -0.123 29.569 29.700 -0.012 0.000 0.741 384 E HN 0.694 nan 8.360 nan 0.000 0.458 385 D N 0.319 120.722 120.400 0.006 0.000 2.144 385 D HA -0.128 4.514 4.640 0.004 0.000 0.200 385 D C 1.720 178.055 176.300 0.057 0.000 0.978 385 D CA 0.949 54.963 54.000 0.024 0.000 0.833 385 D CB -0.165 40.633 40.800 -0.003 0.000 0.961 385 D HN 0.350 nan 8.370 nan 0.000 0.470 386 E N 0.730 120.959 120.200 0.047 0.000 2.106 386 E HA -0.090 4.262 4.350 0.004 0.000 0.192 386 E C 2.065 178.741 176.600 0.127 0.000 0.984 386 E CA 0.927 57.371 56.400 0.074 0.000 0.806 386 E CB 0.009 29.737 29.700 0.047 0.000 0.750 386 E HN 0.180 nan 8.360 nan 0.000 0.458 387 A N 1.086 123.994 122.820 0.146 0.000 1.898 387 A HA -0.142 4.180 4.320 0.004 0.000 0.216 387 A C 2.171 179.893 177.584 0.230 0.000 1.181 387 A CA 0.932 53.115 52.037 0.243 0.000 0.620 387 A CB -0.507 18.610 19.000 0.196 0.000 0.819 387 A HN 0.122 nan 8.150 nan 0.000 0.442 388 I N -1.141 119.514 120.570 0.142 0.000 2.208 388 I HA -0.292 3.880 4.170 0.004 0.000 0.245 388 I C 2.576 178.750 176.117 0.095 0.000 1.097 388 I CA 1.672 63.036 61.300 0.107 0.000 1.363 388 I CB -0.437 37.606 38.000 0.071 0.000 1.051 388 I HN 0.529 nan 8.210 nan 0.000 0.413 389 H N 1.380 120.463 119.070 0.022 0.000 2.387 389 H HA -0.209 4.349 4.556 0.004 0.000 0.299 389 H C 2.217 177.518 175.328 -0.044 0.000 1.090 389 H CA 1.922 57.965 56.048 -0.009 0.000 1.332 389 H CB 0.242 29.992 29.762 -0.019 0.000 1.386 389 H HN 0.285 nan 8.280 nan 0.000 0.516 390 K N -0.652 119.693 120.400 -0.092 0.000 2.098 390 K HA -0.096 4.226 4.320 0.004 0.000 0.203 390 K C 1.144 177.503 176.600 -0.401 0.000 1.051 390 K CA 1.032 57.134 56.287 -0.309 0.000 0.957 390 K CB 0.152 32.416 32.500 -0.395 0.000 0.738 390 K HN 0.187 nan 8.250 nan 0.000 0.447 391 Y N -0.451 119.820 120.300 -0.049 0.000 2.498 391 Y HA 0.323 4.875 4.550 0.004 0.000 0.259 391 Y C 0.550 176.422 175.900 -0.045 0.000 1.086 391 Y CA 0.292 58.369 58.100 -0.038 0.000 1.287 391 Y CB 1.465 39.915 38.460 -0.017 0.000 1.146 391 Y HN 0.232 nan 8.280 nan 0.000 0.523 392 G N 0.734 109.583 108.800 0.081 0.000 2.712 392 G HA2 -0.230 3.732 3.960 0.004 0.000 0.686 392 G HA3 -0.230 3.732 3.960 0.004 0.000 0.686 392 G C 0.317 175.247 174.900 0.050 0.000 1.181 392 G CA -0.220 44.900 45.100 0.033 0.000 0.762 392 G HN 0.306 nan 8.290 nan 0.000 0.641 393 I N 0.486 121.072 120.570 0.027 0.000 2.394 393 I HA -0.089 4.083 4.170 0.004 0.000 0.251 393 I C 2.631 178.752 176.117 0.007 0.000 1.136 393 I CA 2.120 63.432 61.300 0.019 0.000 1.425 393 I CB -0.049 37.958 38.000 0.012 0.000 1.079 393 I HN 0.775 nan 8.210 nan 0.000 0.425 394 E N 0.157 120.361 120.200 0.007 0.000 2.478 394 E HA -0.195 4.158 4.350 0.004 0.000 0.198 394 E C 0.675 177.273 176.600 -0.003 0.000 1.046 394 E CA 0.801 57.200 56.400 -0.001 0.000 0.870 394 E CB -0.502 29.198 29.700 0.000 0.000 0.818 394 E HN 0.585 nan 8.360 nan 0.000 0.527 395 N N 0.575 119.281 118.700 0.009 0.000 2.205 395 N HA 0.105 4.848 4.740 0.004 0.000 0.201 395 N C -0.505 174.979 175.510 -0.045 0.000 1.128 395 N CA 0.062 53.110 53.050 -0.002 0.000 0.867 395 N CB 1.580 40.093 38.487 0.044 0.000 0.996 395 N HN -0.028 nan 8.380 nan 0.000 0.503 396 V N 1.344 121.240 119.914 -0.031 0.000 2.459 396 V HA 0.329 4.452 4.120 0.004 0.000 0.295 396 V C -0.096 175.953 176.094 -0.074 0.000 1.029 396 V CA -0.723 61.546 62.300 -0.053 0.000 0.874 396 V CB 2.067 33.888 31.823 -0.004 0.000 0.985 396 V HN -0.048 nan 8.190 nan 0.000 0.438 397 K N 3.122 123.461 120.400 -0.102 0.000 2.378 397 K HA 0.738 5.060 4.320 0.004 0.000 0.252 397 K C -0.425 176.052 176.600 -0.206 0.000 0.931 397 K CA -0.236 55.945 56.287 -0.178 0.000 0.794 397 K CB 2.003 34.391 32.500 -0.187 0.000 1.181 397 K HN 0.865 nan 8.250 nan 0.000 0.425 398 T N 0.309 114.695 114.554 -0.280 0.000 2.885 398 T HA 0.576 4.928 4.350 0.004 0.000 0.285 398 T C -0.968 173.505 174.700 -0.377 0.000 1.019 398 T CA -0.599 61.383 62.100 -0.196 0.000 1.010 398 T CB 0.605 69.430 68.868 -0.072 0.000 1.022 398 T HN 0.377 nan 8.240 nan 0.000 0.466 399 Y N 0.867 121.144 120.300 -0.038 0.000 2.462 399 Y HA 0.665 5.217 4.550 0.004 0.000 0.346 399 Y C 0.544 176.434 175.900 -0.016 0.000 0.976 399 Y CA -0.600 57.481 58.100 -0.031 0.000 1.044 399 Y CB 2.569 40.998 38.460 -0.052 0.000 1.230 399 Y HN 1.123 nan 8.280 nan 0.000 0.455 400 S N 0.559 116.346 115.700 0.145 0.000 2.596 400 S HA 0.849 5.321 4.470 0.004 0.000 0.270 400 S C -1.064 173.604 174.600 0.114 0.000 1.155 400 S CA -0.780 57.484 58.200 0.107 0.000 0.827 400 S CB 2.323 65.565 63.200 0.070 0.000 1.130 400 S HN 0.641 nan 8.310 nan 0.000 0.467 401 T N 0.032 114.664 114.554 0.129 0.000 2.868 401 T HA 0.762 5.115 4.350 0.004 0.000 0.306 401 T C -1.718 173.096 174.700 0.190 0.000 1.224 401 T CA -0.312 61.890 62.100 0.171 0.000 1.012 401 T CB 1.762 70.754 68.868 0.207 0.000 1.221 401 T HN 1.167 nan 8.240 nan 0.000 0.499 402 S N 2.153 117.979 115.700 0.210 0.000 2.575 402 S HA 0.867 5.339 4.470 0.004 0.000 0.278 402 S C -1.590 173.150 174.600 0.234 0.000 1.139 402 S CA -0.681 57.593 58.200 0.122 0.000 0.954 402 S CB 0.420 63.655 63.200 0.059 0.000 1.054 402 S HN 0.737 nan 8.310 nan 0.000 0.483 403 F N -0.027 119.960 119.950 0.061 0.000 2.741 403 F HA 0.689 5.219 4.527 0.004 0.000 0.313 403 F C -0.823 175.030 175.800 0.089 0.000 1.153 403 F CA -0.920 57.122 58.000 0.070 0.000 0.931 403 F CB 1.002 40.046 39.000 0.073 0.000 1.335 403 F HN 0.291 nan 8.300 nan 0.000 0.460 404 T N 2.782 117.484 114.554 0.247 0.000 2.749 404 T HA 0.490 4.842 4.350 0.004 0.000 0.287 404 T C -2.663 172.253 174.700 0.360 0.000 0.970 404 T CA -1.103 61.109 62.100 0.186 0.000 0.980 404 T CB 0.956 69.927 68.868 0.171 0.000 0.924 404 T HN 0.324 nan 8.240 nan 0.000 0.456 405 P HA 0.068 nan 4.420 nan 0.000 0.266 405 P C 1.114 178.615 177.300 0.334 0.000 1.195 405 P CA -0.198 63.149 63.100 0.411 0.000 0.768 405 P CB 0.386 32.267 31.700 0.301 0.000 0.838 406 M N 1.215 120.977 119.600 0.270 0.000 2.549 406 M HA -0.113 4.369 4.480 0.004 0.000 0.260 406 M C 1.578 177.971 176.300 0.154 0.000 1.076 406 M CA 1.288 56.697 55.300 0.181 0.000 1.090 406 M CB -0.863 31.807 32.600 0.116 0.000 1.418 406 M HN 0.194 nan 8.290 nan 0.000 0.486 407 Y N 1.634 121.967 120.300 0.055 0.000 2.181 407 Y HA -0.291 4.262 4.550 0.004 0.000 0.284 407 Y C 1.848 177.763 175.900 0.025 0.000 1.179 407 Y CA 2.077 60.175 58.100 -0.003 0.000 1.179 407 Y CB -0.380 37.977 38.460 -0.171 0.000 0.973 407 Y HN 0.404 nan 8.280 nan 0.000 0.519 408 H N -0.661 118.496 119.070 0.144 0.000 2.526 408 H HA 0.343 4.901 4.556 0.004 0.000 0.274 408 H C 2.082 177.397 175.328 -0.022 0.000 0.999 408 H CA 0.480 56.559 56.048 0.051 0.000 1.157 408 H CB -0.129 29.736 29.762 0.173 0.000 1.407 408 H HN 0.506 nan 8.280 nan 0.000 0.568 409 A N 0.986 123.843 122.820 0.062 0.000 2.024 409 A HA -0.109 4.213 4.320 0.004 0.000 0.220 409 A C 2.143 179.688 177.584 -0.065 0.000 1.164 409 A CA 1.843 53.891 52.037 0.017 0.000 0.643 409 A CB -0.402 18.606 19.000 0.014 0.000 0.806 409 A HN 0.278 nan 8.150 nan 0.000 0.451 410 V N -3.094 116.710 119.914 -0.183 0.000 3.380 410 V HA 0.256 4.379 4.120 0.004 0.000 0.307 410 V C 0.522 176.446 176.094 -0.283 0.000 1.434 410 V CA 0.510 62.643 62.300 -0.277 0.000 1.075 410 V CB -0.853 30.705 31.823 -0.441 0.000 0.954 410 V HN 0.491 nan 8.190 nan 0.000 0.444 411 T N -2.838 111.620 114.554 -0.159 0.000 2.925 411 T HA 0.496 4.848 4.350 0.004 0.000 0.285 411 T C 0.517 175.225 174.700 0.014 0.000 1.021 411 T CA -0.520 61.551 62.100 -0.049 0.000 1.042 411 T CB 2.373 71.314 68.868 0.121 0.000 1.037 411 T HN 0.176 nan 8.240 nan 0.000 0.481 412 K N -0.130 120.285 120.400 0.025 0.000 2.167 412 K HA 0.084 4.406 4.320 0.004 0.000 0.203 412 K C 1.300 177.909 176.600 0.015 0.000 1.052 412 K CA 0.346 56.641 56.287 0.015 0.000 0.956 412 K CB 0.131 32.639 32.500 0.014 0.000 0.735 412 K HN 0.476 nan 8.250 nan 0.000 0.451 413 R N 1.677 122.210 120.500 0.055 0.000 2.441 413 R HA 0.065 4.407 4.340 0.004 0.000 0.284 413 R C -0.749 175.480 176.300 -0.119 0.000 1.070 413 R CA 0.045 56.157 56.100 0.021 0.000 1.047 413 R CB 0.540 30.915 30.300 0.126 0.000 1.016 413 R HN -0.209 nan 8.270 nan 0.000 0.477 414 K N 2.247 122.489 120.400 -0.263 0.000 2.426 414 K HA 0.356 4.679 4.320 0.004 0.000 0.251 414 K C -0.709 175.623 176.600 -0.447 0.000 0.941 414 K CA -0.697 55.255 56.287 -0.558 0.000 0.808 414 K CB 2.242 34.602 32.500 -0.233 0.000 1.265 414 K HN 0.856 nan 8.250 nan 0.000 0.432 415 T N -1.972 112.285 114.554 -0.494 0.000 2.887 415 T HA 0.549 4.901 4.350 0.004 0.000 0.292 415 T C -0.441 174.248 174.700 -0.019 0.000 1.087 415 T CA -0.895 61.159 62.100 -0.077 0.000 1.009 415 T CB 2.467 71.413 68.868 0.129 0.000 1.203 415 T HN 0.383 nan 8.240 nan 0.000 0.518 416 K N -0.558 119.826 120.400 -0.027 0.000 2.166 416 K HA 0.646 4.968 4.320 0.004 0.000 0.245 416 K C -1.305 175.201 176.600 -0.156 0.000 0.967 416 K CA -0.923 55.314 56.287 -0.083 0.000 0.863 416 K CB 1.771 34.226 32.500 -0.076 0.000 1.107 416 K HN 0.806 nan 8.250 nan 0.000 0.436 417 C N 3.895 122.961 119.300 -0.390 0.000 2.319 417 C HA 0.659 5.121 4.460 0.004 0.000 0.323 417 C C -0.917 173.814 174.990 -0.432 0.000 1.277 417 C CA -0.462 58.253 59.018 -0.506 0.000 1.517 417 C CB -0.208 26.956 27.740 -0.959 0.000 2.206 417 C HN 0.508 nan 8.230 nan 0.000 0.486 418 V N 5.191 124.997 119.914 -0.180 0.000 2.604 418 V HA 0.777 4.899 4.120 0.004 0.000 0.305 418 V C -0.603 175.495 176.094 0.006 0.000 1.043 418 V CA -0.640 61.623 62.300 -0.061 0.000 0.888 418 V CB 1.583 33.389 31.823 -0.028 0.000 0.995 418 V HN 0.940 nan 8.190 nan 0.000 0.429 419 M N 4.222 123.861 119.600 0.065 0.000 2.386 419 M HA 0.598 5.081 4.480 0.004 0.000 0.293 419 M C -0.902 175.443 176.300 0.075 0.000 1.120 419 M CA -0.445 54.899 55.300 0.073 0.000 0.909 419 M CB 2.761 35.423 32.600 0.103 0.000 1.661 419 M HN 0.843 nan 8.290 nan 0.000 0.452 420 K N 3.628 124.073 120.400 0.074 0.000 2.427 420 K HA 0.662 4.984 4.320 0.004 0.000 0.252 420 K C -1.937 174.693 176.600 0.050 0.000 0.931 420 K CA -0.550 55.790 56.287 0.089 0.000 0.793 420 K CB 2.476 35.053 32.500 0.129 0.000 1.211 420 K HN 0.872 nan 8.250 nan 0.000 0.426 421 M N 5.006 124.627 119.600 0.034 0.000 2.311 421 M HA 0.334 4.816 4.480 0.004 0.000 0.325 421 M C -1.622 174.699 176.300 0.036 0.000 1.061 421 M CA -0.846 54.431 55.300 -0.037 0.000 0.957 421 M CB 1.647 34.169 32.600 -0.129 0.000 1.646 421 M HN 0.319 nan 8.290 nan 0.000 0.434 422 V N 4.841 124.758 119.914 0.005 0.000 2.384 422 V HA 0.444 4.566 4.120 0.004 0.000 0.287 422 V C -0.579 175.498 176.094 -0.029 0.000 1.020 422 V CA -0.589 61.724 62.300 0.022 0.000 0.850 422 V CB 1.142 33.014 31.823 0.081 0.000 0.987 422 V HN 0.975 nan 8.190 nan 0.000 0.436 423 C N 3.946 123.227 119.300 -0.032 0.000 2.493 423 C HA 0.958 5.420 4.460 0.004 0.000 0.326 423 C C 0.519 175.419 174.990 -0.150 0.000 1.200 423 C CA -0.622 58.353 59.018 -0.071 0.000 1.739 423 C CB 1.259 29.012 27.740 0.021 0.000 2.300 423 C HN 0.997 nan 8.230 nan 0.000 0.500 424 A N 3.004 125.670 122.820 -0.257 0.000 2.401 424 A HA 0.863 5.186 4.320 0.004 0.000 0.310 424 A C -0.395 177.005 177.584 -0.308 0.000 1.075 424 A CA -0.326 51.446 52.037 -0.443 0.000 0.746 424 A CB 0.527 18.843 19.000 -1.139 0.000 1.277 424 A HN 1.150 nan 8.150 nan 0.000 0.425 425 N N -0.359 118.206 118.700 -0.225 0.000 6.584 425 N HA -0.191 4.551 4.740 0.004 0.000 0.411 425 N C 0.698 176.170 175.510 -0.062 0.000 0.981 425 N CA 0.777 53.761 53.050 -0.110 0.000 1.762 425 N CB -0.161 38.269 38.487 -0.096 0.000 0.760 425 N HN 0.869 nan 8.380 nan 0.000 0.447 426 K N 0.888 121.269 120.400 -0.031 0.000 2.097 426 K HA -0.172 4.151 4.320 0.004 0.000 0.206 426 K C 0.876 177.469 176.600 -0.012 0.000 1.049 426 K CA 1.969 58.247 56.287 -0.015 0.000 0.933 426 K CB -0.024 32.473 32.500 -0.005 0.000 0.717 426 K HN 0.391 nan 8.250 nan 0.000 0.442 427 E N 0.965 121.155 120.200 -0.017 0.000 2.347 427 E HA -0.074 4.279 4.350 0.004 0.000 0.196 427 E C -0.526 176.064 176.600 -0.017 0.000 1.008 427 E CA 0.558 56.952 56.400 -0.011 0.000 0.852 427 E CB -0.020 29.675 29.700 -0.008 0.000 0.783 427 E HN 0.287 nan 8.360 nan 0.000 0.505 428 E N 0.426 120.605 120.200 -0.034 0.000 2.271 428 E HA -0.253 4.099 4.350 0.004 0.000 0.223 428 E C -0.386 176.180 176.600 -0.057 0.000 1.223 428 E CA 0.276 56.654 56.400 -0.037 0.000 0.704 428 E CB -1.334 28.375 29.700 0.014 0.000 1.194 428 E HN 0.217 nan 8.360 nan 0.000 0.375 429 K N 0.784 121.138 120.400 -0.077 0.000 2.484 429 K HA 0.092 4.414 4.320 0.004 0.000 0.280 429 K C -0.067 176.477 176.600 -0.093 0.000 1.013 429 K CA -0.063 56.184 56.287 -0.067 0.000 1.029 429 K CB 0.678 33.133 32.500 -0.074 0.000 0.902 429 K HN 0.022 nan 8.250 nan 0.000 0.481 430 V N 6.876 126.745 119.914 -0.075 0.000 2.387 430 V HA -0.002 4.120 4.120 0.004 0.000 0.260 430 V C 0.961 177.020 176.094 -0.060 0.000 1.054 430 V CA -0.145 62.080 62.300 -0.126 0.000 0.967 430 V CB 0.686 32.371 31.823 -0.230 0.000 1.036 430 V HN 0.775 nan 8.190 nan 0.000 0.481 431 V N 1.942 121.821 119.914 -0.059 0.000 3.643 431 V HA 0.684 4.806 4.120 0.004 0.000 0.280 431 V C 0.741 176.839 176.094 0.007 0.000 1.351 431 V CA 0.641 62.943 62.300 0.004 0.000 1.073 431 V CB 0.183 32.034 31.823 0.046 0.000 0.863 431 V HN 0.808 nan 8.190 nan 0.000 0.436 432 G N 0.049 108.818 108.800 -0.051 0.000 2.755 432 G HA2 0.690 4.652 3.960 0.004 0.000 0.297 432 G HA3 0.690 4.652 3.960 0.004 0.000 0.297 432 G C -1.697 173.020 174.900 -0.305 0.000 1.441 432 G CA -0.619 44.398 45.100 -0.139 0.000 0.964 432 G HN 0.159 nan 8.290 nan 0.000 0.540 433 I N 1.965 122.214 120.570 -0.534 0.000 2.533 433 I HA 0.459 4.631 4.170 0.004 0.000 0.290 433 I C -1.021 174.668 176.117 -0.713 0.000 1.056 433 I CA -0.917 60.094 61.300 -0.483 0.000 1.057 433 I CB 2.539 40.387 38.000 -0.254 0.000 1.240 433 I HN 0.418 nan 8.210 nan 0.000 0.423 434 H N 7.806 126.863 119.070 -0.023 0.000 2.782 434 H HA 0.686 5.244 4.556 0.004 0.000 0.347 434 H C -0.959 174.368 175.328 -0.001 0.000 1.038 434 H CA -0.689 55.361 56.048 0.004 0.000 1.255 434 H CB 2.155 31.927 29.762 0.016 0.000 1.623 434 H HN 0.582 nan 8.280 nan 0.000 0.525 435 M N 1.112 120.769 119.600 0.095 0.000 2.578 435 M HA 0.510 4.992 4.480 0.004 0.000 0.276 435 M C -1.716 174.599 176.300 0.024 0.000 1.245 435 M CA -0.940 54.389 55.300 0.048 0.000 0.871 435 M CB 3.639 36.252 32.600 0.023 0.000 1.722 435 M HN 0.440 nan 8.290 nan 0.000 0.473 436 Q N 0.809 120.607 119.800 -0.002 0.000 2.315 436 Q HA 0.814 5.157 4.340 0.004 0.000 0.273 436 Q C -1.295 174.686 176.000 -0.031 0.000 1.053 436 Q CA -0.246 55.544 55.803 -0.022 0.000 0.817 436 Q CB 2.824 31.541 28.738 -0.035 0.000 1.326 436 Q HN 1.249 nan 8.270 nan 0.000 0.423 437 G N 1.892 110.688 108.800 -0.006 0.000 2.347 437 G HA2 0.152 4.114 3.960 0.004 0.000 0.303 437 G HA3 0.152 4.114 3.960 0.004 0.000 0.303 437 G C -1.562 173.372 174.900 0.057 0.000 1.481 437 G CA -1.103 43.997 45.100 -0.001 0.000 0.914 437 G HN 0.624 nan 8.290 nan 0.000 0.638 438 L N 1.230 122.500 121.223 0.078 0.000 2.601 438 L HA 0.307 4.649 4.340 0.004 0.000 0.277 438 L C 1.803 178.739 176.870 0.109 0.000 1.219 438 L CA 1.832 56.730 54.840 0.097 0.000 0.915 438 L CB 0.455 42.550 42.059 0.059 0.000 1.160 438 L HN 2.011 nan 8.230 nan 0.000 0.494 439 G N 1.701 110.581 108.800 0.133 0.000 2.199 439 G HA2 -0.293 3.669 3.960 0.004 0.000 0.254 439 G HA3 -0.293 3.669 3.960 0.004 0.000 0.254 439 G C 0.840 175.812 174.900 0.120 0.000 0.982 439 G CA 0.205 45.385 45.100 0.133 0.000 0.632 439 G HN 0.712 nan 8.290 nan 0.000 0.529 440 C N 2.071 121.429 119.300 0.096 0.000 2.437 440 C HA 0.067 4.529 4.460 0.004 0.000 0.283 440 C C 2.656 177.657 174.990 0.019 0.000 1.424 440 C CA 1.240 60.297 59.018 0.065 0.000 1.782 440 C CB -0.769 26.990 27.740 0.032 0.000 1.833 440 C HN 0.768 nan 8.230 nan 0.000 0.532 441 D N 0.911 121.311 120.400 0.001 0.000 2.144 441 D HA -0.146 4.496 4.640 0.004 0.000 0.200 441 D C 1.509 177.819 176.300 0.017 0.000 0.978 441 D CA 1.297 55.249 54.000 -0.080 0.000 0.833 441 D CB -0.490 40.257 40.800 -0.088 0.000 0.961 441 D HN 0.432 nan 8.370 nan 0.000 0.470 442 E N -0.575 119.670 120.200 0.075 0.000 2.476 442 E HA 0.134 4.487 4.350 0.004 0.000 0.199 442 E C 1.847 178.494 176.600 0.078 0.000 1.021 442 E CA -0.174 56.273 56.400 0.079 0.000 0.907 442 E CB 0.291 30.045 29.700 0.090 0.000 0.974 442 E HN 0.365 nan 8.360 nan 0.000 0.489 443 M N 0.285 119.950 119.600 0.108 0.000 2.388 443 M HA -0.040 4.442 4.480 0.004 0.000 0.265 443 M C 1.901 178.343 176.300 0.236 0.000 1.088 443 M CA 0.564 55.967 55.300 0.172 0.000 1.134 443 M CB 0.219 32.951 32.600 0.219 0.000 1.384 443 M HN 0.093 nan 8.290 nan 0.000 0.447 444 L N 0.408 121.737 121.223 0.176 0.000 2.072 444 L HA -0.139 4.203 4.340 0.004 0.000 0.205 444 L C 2.240 179.205 176.870 0.158 0.000 1.079 444 L CA 1.813 56.776 54.840 0.205 0.000 0.752 444 L CB -0.761 41.356 42.059 0.096 0.000 0.906 444 L HN 0.286 nan 8.230 nan 0.000 0.436 445 Q N -0.177 119.666 119.800 0.072 0.000 2.112 445 Q HA -0.169 4.174 4.340 0.004 0.000 0.206 445 Q C 2.061 178.056 176.000 -0.008 0.000 0.987 445 Q CA 2.320 58.141 55.803 0.030 0.000 0.858 445 Q CB -0.888 27.856 28.738 0.010 0.000 0.905 445 Q HN 0.548 nan 8.270 nan 0.000 0.420 446 G N -1.531 107.215 108.800 -0.089 0.000 2.421 446 G HA2 -0.178 3.784 3.960 0.004 0.000 0.217 446 G HA3 -0.178 3.784 3.960 0.004 0.000 0.217 446 G C 0.932 175.704 174.900 -0.213 0.000 1.143 446 G CA 0.491 45.471 45.100 -0.200 0.000 0.784 446 G HN 0.370 nan 8.290 nan 0.000 0.541 447 F N 1.831 121.771 119.950 -0.017 0.000 2.216 447 F HA 0.090 4.620 4.527 0.004 0.000 0.300 447 F C 2.924 178.751 175.800 0.045 0.000 1.085 447 F CA 0.633 58.643 58.000 0.015 0.000 1.326 447 F CB -0.329 38.727 39.000 0.094 0.000 1.027 447 F HN 0.233 nan 8.300 nan 0.000 0.497 448 A N -0.150 122.782 122.820 0.188 0.000 1.930 448 A HA -0.099 4.223 4.320 0.004 0.000 0.217 448 A C 2.372 179.995 177.584 0.066 0.000 1.175 448 A CA 1.669 53.772 52.037 0.110 0.000 0.627 448 A CB -1.159 17.882 19.000 0.068 0.000 0.815 448 A HN 0.168 nan 8.150 nan 0.000 0.443 449 V N -0.051 119.880 119.914 0.028 0.000 2.287 449 V HA -0.283 3.839 4.120 0.004 0.000 0.248 449 V C 3.051 179.155 176.094 0.016 0.000 1.053 449 V CA 2.035 64.335 62.300 0.001 0.000 1.027 449 V CB -1.297 30.502 31.823 -0.039 0.000 0.646 449 V HN 0.613 nan 8.190 nan 0.000 0.447 450 A N -0.345 122.490 122.820 0.025 0.000 1.902 450 A HA -0.152 4.171 4.320 0.004 0.000 0.217 450 A C 2.403 180.067 177.584 0.134 0.000 1.181 450 A CA 2.012 54.078 52.037 0.048 0.000 0.623 450 A CB -0.700 18.295 19.000 -0.009 0.000 0.818 450 A HN 0.327 nan 8.150 nan 0.000 0.443 451 V N 0.216 120.235 119.914 0.175 0.000 2.343 451 V HA -0.258 3.864 4.120 0.004 0.000 0.247 451 V C 2.578 178.725 176.094 0.087 0.000 1.051 451 V CA 2.478 64.868 62.300 0.150 0.000 1.036 451 V CB -0.607 31.294 31.823 0.129 0.000 0.654 451 V HN 0.648 nan 8.190 nan 0.000 0.451 452 K N 0.015 120.452 120.400 0.063 0.000 2.147 452 K HA -0.101 4.222 4.320 0.004 0.000 0.205 452 K C 1.896 178.516 176.600 0.033 0.000 1.049 452 K CA 1.715 58.024 56.287 0.036 0.000 0.936 452 K CB -0.310 32.201 32.500 0.018 0.000 0.722 452 K HN 0.410 nan 8.250 nan 0.000 0.446 453 M N -1.008 118.614 119.600 0.037 0.000 2.619 453 M HA 0.116 4.599 4.480 0.004 0.000 0.251 453 M C 0.525 176.850 176.300 0.042 0.000 1.106 453 M CA 0.848 56.166 55.300 0.030 0.000 1.086 453 M CB 0.447 33.059 32.600 0.020 0.000 1.465 453 M HN 0.405 nan 8.290 nan 0.000 0.506 454 G N 1.240 110.075 108.800 0.059 0.000 2.203 454 G HA2 -0.114 3.848 3.960 0.004 0.000 0.231 454 G HA3 -0.114 3.848 3.960 0.004 0.000 0.231 454 G C 0.017 174.962 174.900 0.076 0.000 1.058 454 G CA -0.107 45.029 45.100 0.060 0.000 0.781 454 G HN 0.676 nan 8.290 nan 0.000 0.496 455 A N 0.082 122.975 122.820 0.122 0.000 2.483 455 A HA 0.755 5.078 4.320 0.004 0.000 0.238 455 A C 1.115 178.784 177.584 0.142 0.000 1.070 455 A CA 1.253 53.396 52.037 0.177 0.000 0.770 455 A CB 0.323 19.535 19.000 0.355 0.000 1.008 455 A HN 1.970 nan 8.150 nan 0.000 0.497 456 T N -0.975 113.655 114.554 0.127 0.000 2.937 456 T HA 0.458 4.810 4.350 0.004 0.000 0.283 456 T C 0.893 175.636 174.700 0.072 0.000 1.012 456 T CA -0.171 61.964 62.100 0.058 0.000 0.997 456 T CB 1.181 70.070 68.868 0.036 0.000 1.136 456 T HN 0.580 nan 8.240 nan 0.000 0.551 457 K N 0.481 120.860 120.400 -0.035 0.000 2.148 457 K HA 0.107 4.429 4.320 0.004 0.000 0.204 457 K C 2.316 178.924 176.600 0.014 0.000 1.050 457 K CA 1.590 57.813 56.287 -0.107 0.000 0.942 457 K CB -1.036 31.350 32.500 -0.189 0.000 0.724 457 K HN 0.696 nan 8.250 nan 0.000 0.446 458 A N 1.169 124.005 122.820 0.027 0.000 1.940 458 A HA -0.206 4.116 4.320 0.004 0.000 0.219 458 A C 1.705 179.340 177.584 0.085 0.000 1.176 458 A CA 2.048 54.110 52.037 0.041 0.000 0.631 458 A CB -0.700 18.315 19.000 0.025 0.000 0.814 458 A HN 0.448 nan 8.150 nan 0.000 0.446 459 D N -0.955 119.524 120.400 0.132 0.000 2.144 459 D HA -0.123 4.520 4.640 0.004 0.000 0.199 459 D C 1.661 178.050 176.300 0.149 0.000 0.984 459 D CA 1.123 55.200 54.000 0.128 0.000 0.834 459 D CB -0.358 40.530 40.800 0.147 0.000 0.955 459 D HN 0.583 nan 8.370 nan 0.000 0.465 460 F N 1.291 121.244 119.950 0.005 0.000 2.113 460 F HA -0.127 4.403 4.527 0.004 0.000 0.297 460 F C 2.233 178.034 175.800 0.000 0.000 1.103 460 F CA 0.697 58.712 58.000 0.026 0.000 1.248 460 F CB 0.046 39.050 39.000 0.006 0.000 0.999 460 F HN -0.183 nan 8.300 nan 0.000 0.475 461 D N -0.375 120.128 120.400 0.172 0.000 2.218 461 D HA -0.132 4.510 4.640 0.004 0.000 0.204 461 D C 1.345 177.669 176.300 0.039 0.000 0.976 461 D CA 0.942 54.982 54.000 0.067 0.000 0.853 461 D CB -0.444 40.361 40.800 0.009 0.000 0.939 461 D HN 0.217 nan 8.370 nan 0.000 0.481 462 N N -0.003 118.720 118.700 0.037 0.000 2.322 462 N HA 0.006 4.748 4.740 0.004 0.000 0.194 462 N C -0.331 175.180 175.510 0.000 0.000 1.126 462 N CA 0.237 53.296 53.050 0.014 0.000 0.845 462 N CB 0.623 39.118 38.487 0.012 0.000 0.976 462 N HN 0.027 nan 8.380 nan 0.000 0.475 463 T N 0.805 115.358 114.554 -0.001 0.000 2.806 463 T HA 0.272 4.624 4.350 0.004 0.000 0.290 463 T C 0.577 175.272 174.700 -0.009 0.000 0.966 463 T CA -0.370 61.715 62.100 -0.025 0.000 1.060 463 T CB 2.266 71.095 68.868 -0.065 0.000 0.927 463 T HN -0.255 nan 8.240 nan 0.000 0.485 464 V N 3.183 123.088 119.914 -0.015 0.000 2.637 464 V HA 0.419 4.541 4.120 0.004 0.000 0.296 464 V C 0.919 177.014 176.094 0.003 0.000 1.046 464 V CA -0.663 61.633 62.300 -0.006 0.000 1.066 464 V CB 0.700 32.517 31.823 -0.010 0.000 0.968 464 V HN 1.105 nan 8.190 nan 0.000 0.483 465 A N 5.891 128.720 122.820 0.014 0.000 2.366 465 A HA 0.611 4.933 4.320 0.004 0.000 0.249 465 A C -0.286 177.325 177.584 0.045 0.000 1.084 465 A CA -0.249 51.810 52.037 0.036 0.000 0.794 465 A CB 0.054 19.074 19.000 0.034 0.000 1.034 465 A HN 0.734 nan 8.150 nan 0.000 0.491 466 I N 1.004 121.613 120.570 0.065 0.000 2.339 466 I HA 0.332 4.505 4.170 0.004 0.000 0.290 466 I C -0.203 175.990 176.117 0.127 0.000 0.994 466 I CA -0.079 61.266 61.300 0.074 0.000 1.191 466 I CB 1.328 39.355 38.000 0.045 0.000 1.343 466 I HN 0.798 nan 8.210 nan 0.000 0.458 467 H N 7.041 126.117 119.070 0.010 0.000 2.572 467 H HA 0.628 5.186 4.556 0.004 0.000 0.359 467 H C -2.522 172.814 175.328 0.013 0.000 1.134 467 H CA -1.862 54.191 56.048 0.009 0.000 1.187 467 H CB 1.796 31.559 29.762 0.001 0.000 1.597 467 H HN 0.316 nan 8.280 nan 0.000 0.524 468 P HA 0.277 nan 4.420 nan 0.000 0.297 468 P C -1.197 176.007 177.300 -0.161 0.000 1.342 468 P CA -0.591 62.137 63.100 -0.620 0.000 0.801 468 P CB 1.133 32.430 31.700 -0.672 0.000 0.920 469 T N -1.947 112.588 114.554 -0.031 0.000 2.865 469 T HA 0.370 4.722 4.350 0.004 0.000 0.294 469 T C 0.866 175.621 174.700 0.092 0.000 1.119 469 T CA -0.551 61.577 62.100 0.047 0.000 1.007 469 T CB 1.252 70.162 68.868 0.071 0.000 1.225 469 T HN -0.014 nan 8.240 nan 0.000 0.515 470 S N 0.605 116.404 115.700 0.165 0.000 2.406 470 S HA -0.060 4.413 4.470 0.004 0.000 0.228 470 S C 2.303 177.042 174.600 0.231 0.000 1.020 470 S CA 1.305 59.669 58.200 0.273 0.000 0.965 470 S CB -0.558 62.867 63.200 0.374 0.000 0.798 470 S HN 0.921 nan 8.310 nan 0.000 0.488 471 S N 2.536 118.359 115.700 0.205 0.000 2.419 471 S HA -0.186 4.286 4.470 0.004 0.000 0.233 471 S C 1.698 176.435 174.600 0.229 0.000 1.016 471 S CA 1.166 59.517 58.200 0.252 0.000 0.974 471 S CB -0.649 62.712 63.200 0.269 0.000 0.786 471 S HN 0.809 nan 8.310 nan 0.000 0.492 472 E N 1.397 121.689 120.200 0.153 0.000 2.333 472 E HA -0.176 4.176 4.350 0.004 0.000 0.198 472 E C 1.467 178.117 176.600 0.083 0.000 1.007 472 E CA 1.041 57.516 56.400 0.124 0.000 0.845 472 E CB -0.337 29.424 29.700 0.101 0.000 0.766 472 E HN 0.478 nan 8.360 nan 0.000 0.507 473 E N 1.222 121.448 120.200 0.043 0.000 2.153 473 E HA -0.116 4.237 4.350 0.004 0.000 0.194 473 E C 2.164 178.790 176.600 0.044 0.000 0.988 473 E CA 0.653 57.049 56.400 -0.007 0.000 0.811 473 E CB -0.198 29.460 29.700 -0.071 0.000 0.746 473 E HN 0.455 nan 8.360 nan 0.000 0.466 474 L N 0.907 122.171 121.223 0.068 0.000 2.456 474 L HA -0.099 4.243 4.340 0.004 0.000 0.224 474 L C 2.084 179.047 176.870 0.155 0.000 1.148 474 L CA 0.653 55.508 54.840 0.024 0.000 0.825 474 L CB -0.106 41.810 42.059 -0.238 0.000 0.937 474 L HN 0.052 nan 8.230 nan 0.000 0.450 475 V N -5.533 114.485 119.914 0.173 0.000 3.578 475 V HA 0.129 4.252 4.120 0.004 0.000 0.290 475 V C 1.260 177.401 176.094 0.078 0.000 1.376 475 V CA 0.605 63.018 62.300 0.189 0.000 1.083 475 V CB -0.009 31.916 31.823 0.169 0.000 0.911 475 V HN 0.387 nan 8.190 nan 0.000 0.433 476 T N -1.614 112.961 114.554 0.034 0.000 3.339 476 T HA 0.488 4.841 4.350 0.004 0.000 0.292 476 T C 0.121 174.803 174.700 -0.030 0.000 1.012 476 T CA -0.282 61.814 62.100 -0.007 0.000 0.937 476 T CB -0.365 68.495 68.868 -0.013 0.000 1.164 476 T HN 0.311 nan 8.240 nan 0.000 0.509 477 L N 1.973 123.163 121.223 -0.056 0.000 2.456 477 L HA 0.488 4.830 4.340 0.004 0.000 0.272 477 L C 0.845 177.649 176.870 -0.110 0.000 1.189 477 L CA -0.241 54.557 54.840 -0.070 0.000 0.846 477 L CB 0.486 42.477 42.059 -0.113 0.000 1.111 477 L HN 0.218 nan 8.230 nan 0.000 0.475 478 R N 0.000 120.508 120.500 0.013 0.000 2.786 478 R HA 0.000 4.342 4.340 0.004 0.000 0.208 478 R CA 0.000 56.142 56.100 0.070 0.000 0.921 478 R CB 0.000 30.326 30.300 0.043 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535