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 2gh5_1_A DATA FIRST_RESID 18 DATA SEQUENCE VASYDYLVIG GGSGGLASAR RAAELGARAA VVESHKLGGT CVNVGCVPKK DATA SEQUENCE VMWNTAVHSE FMHDHADYGF PSCEGKFNWR VIKEKRDAYV SRLNAIYQNN DATA SEQUENCE LTKSHIEIIR GHAAFTSDPK PTIEVSGKKY TAPHILIATG GMPSTPHESQ DATA SEQUENCE IPGASLGITS DGFFQLEELP GRSVIVGAGY IAVEMAGILS ALGSKTSLMI DATA SEQUENCE RHDKVLRSFD SMISTNCTEE LENAGVEVLK FSQVKEVKKT LSGLEVSMVT DATA SEQUENCE AVPGRLPVMT MIPDVDCLLW AIGRVPNTKD LSLNKLGIQT DDKGHIIVDE DATA SEQUENCE FQNTNVKGIY AVGDVCGKAL LTPVAIAAGR KLAHRLFEYK EDSKLDYNNI DATA SEQUENCE PTVVFSHPPI GTVGLTEDEA IHKYGIENVK TYSTSFTPMY HAVTKRKTKC DATA SEQUENCE VMKMVCANKE EKVVGIHMQG LGCDEMLQGF AVAVKMGATK ADFDNTVAIH DATA SEQUENCE PTSSEELVTL R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 18 V HA 0.000 nan 4.120 nan 0.000 0.244 18 V C 0.000 176.045 176.094 -0.081 0.000 1.182 18 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 18 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 19 A N 2.753 125.506 122.820 -0.112 0.000 2.409 19 A HA 0.789 5.109 4.320 -0.000 0.000 0.262 19 A C 0.431 178.023 177.584 0.013 0.000 1.113 19 A CA 0.564 52.561 52.037 -0.067 0.000 0.790 19 A CB 0.821 19.843 19.000 0.036 0.000 1.046 19 A HN 1.886 nan 8.150 nan 0.000 0.496 20 S N 1.521 117.133 115.700 -0.146 0.000 2.475 20 S HA 0.769 5.239 4.470 -0.000 0.000 0.298 20 S C -1.101 173.362 174.600 -0.228 0.000 1.119 20 S CA -0.368 57.809 58.200 -0.038 0.000 1.085 20 S CB 0.209 63.402 63.200 -0.011 0.000 1.028 20 S HN 0.501 nan 8.310 nan 0.000 0.489 21 Y N 1.124 121.500 120.300 0.126 0.000 2.665 21 Y HA 0.443 4.993 4.550 0.000 0.000 0.336 21 Y C 1.017 177.023 175.900 0.177 0.000 1.085 21 Y CA -1.021 57.159 58.100 0.133 0.000 1.096 21 Y CB 0.959 39.499 38.460 0.133 0.000 1.301 21 Y HN 0.527 nan 8.280 nan 0.000 0.493 22 D N -0.533 120.093 120.400 0.377 0.000 2.271 22 D HA -0.052 4.588 4.640 -0.000 0.000 0.206 22 D C -0.793 175.878 176.300 0.619 0.000 0.967 22 D CA 1.526 55.774 54.000 0.412 0.000 0.867 22 D CB 0.542 41.513 40.800 0.285 0.000 0.960 22 D HN 0.282 nan 8.370 nan 0.000 0.509 23 Y N 0.622 121.100 120.300 0.297 0.000 2.362 23 Y HA 0.379 4.929 4.550 -0.000 0.000 0.326 23 Y C -1.555 174.415 175.900 0.117 0.000 1.083 23 Y CA -0.905 57.364 58.100 0.281 0.000 1.073 23 Y CB 0.843 39.399 38.460 0.160 0.000 1.211 23 Y HN -0.291 nan 8.280 nan 0.000 0.433 24 L N 6.636 127.844 121.223 -0.025 0.000 2.305 24 L HA 0.690 5.030 4.340 -0.000 0.000 0.284 24 L C -0.974 175.672 176.870 -0.373 0.000 1.013 24 L CA -1.128 53.577 54.840 -0.225 0.000 0.819 24 L CB 1.725 43.722 42.059 -0.104 0.000 1.227 24 L HN 0.342 nan 8.230 nan 0.000 0.417 25 V N 5.071 124.741 119.914 -0.408 0.000 2.384 25 V HA 0.398 4.518 4.120 -0.000 0.000 0.287 25 V C 0.150 176.094 176.094 -0.250 0.000 1.020 25 V CA -0.390 61.699 62.300 -0.351 0.000 0.850 25 V CB 1.912 33.527 31.823 -0.345 0.000 0.987 25 V HN 0.511 nan 8.190 nan 0.000 0.436 26 I N 4.812 125.263 120.570 -0.197 0.000 2.291 26 I HA 0.674 4.844 4.170 -0.000 0.000 0.292 26 I C 0.770 176.808 176.117 -0.132 0.000 1.064 26 I CA 0.095 61.276 61.300 -0.199 0.000 1.269 26 I CB 0.954 38.818 38.000 -0.226 0.000 1.418 26 I HN 0.874 nan 8.210 nan 0.000 0.485 27 G N 3.678 112.403 108.800 -0.126 0.000 3.438 27 G HA2 0.021 3.981 3.960 -0.000 0.000 0.684 27 G HA3 0.021 3.981 3.960 -0.000 0.000 0.684 27 G C -0.089 174.775 174.900 -0.060 0.000 1.192 27 G CA -0.576 44.481 45.100 -0.072 0.000 1.013 27 G HN 0.940 nan 8.290 nan 0.000 0.530 28 G N 0.755 109.528 108.800 -0.045 0.000 4.084 28 G HA2 0.676 4.636 3.960 -0.000 0.000 0.293 28 G HA3 0.676 4.636 3.960 -0.000 0.000 0.293 28 G C 0.797 175.679 174.900 -0.030 0.000 1.303 28 G CA 0.860 45.942 45.100 -0.029 0.000 1.289 28 G HN 1.230 nan 8.290 nan 0.000 0.609 29 G N -0.062 108.720 108.800 -0.031 0.000 2.857 29 G HA2 0.403 4.363 3.960 -0.000 0.000 0.217 29 G HA3 0.403 4.363 3.960 -0.000 0.000 0.217 29 G C 1.192 176.059 174.900 -0.055 0.000 1.357 29 G CA 0.298 45.370 45.100 -0.047 0.000 1.033 29 G HN 0.164 nan 8.290 nan 0.000 0.571 30 S N -0.215 115.452 115.700 -0.054 0.000 2.359 30 S HA -0.145 4.325 4.470 -0.000 0.000 0.223 30 S C 2.461 177.056 174.600 -0.009 0.000 1.039 30 S CA 1.868 60.040 58.200 -0.046 0.000 1.042 30 S CB -0.762 62.419 63.200 -0.031 0.000 0.915 30 S HN 0.786 nan 8.310 nan 0.000 0.439 31 G N 1.003 109.809 108.800 0.011 0.000 2.404 31 G HA2 0.015 3.975 3.960 -0.000 0.000 0.215 31 G HA3 0.015 3.975 3.960 -0.000 0.000 0.215 31 G C 1.454 176.375 174.900 0.035 0.000 1.174 31 G CA 0.899 46.018 45.100 0.033 0.000 0.780 31 G HN 0.567 nan 8.290 nan 0.000 0.537 32 G N 0.992 109.802 108.800 0.015 0.000 2.433 32 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 32 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 32 G C 1.830 176.739 174.900 0.014 0.000 1.186 32 G CA 0.816 45.914 45.100 -0.003 0.000 0.779 32 G HN 0.400 nan 8.290 nan 0.000 0.543 33 L N 0.725 121.966 121.223 0.029 0.000 2.046 33 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 33 L C 3.422 180.350 176.870 0.095 0.000 1.077 33 L CA 1.018 55.909 54.840 0.085 0.000 0.747 33 L CB -0.451 41.693 42.059 0.140 0.000 0.896 33 L HN 0.320 nan 8.230 nan 0.000 0.432 34 A N -1.014 121.849 122.820 0.072 0.000 1.902 34 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 34 A C 2.553 180.180 177.584 0.072 0.000 1.181 34 A CA 2.126 54.205 52.037 0.069 0.000 0.623 34 A CB -0.645 18.384 19.000 0.049 0.000 0.818 34 A HN 0.336 nan 8.150 nan 0.000 0.443 35 S N -0.779 114.977 115.700 0.094 0.000 2.371 35 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 35 S C 2.212 176.944 174.600 0.219 0.000 1.029 35 S CA 1.332 59.627 58.200 0.159 0.000 0.978 35 S CB -0.435 62.900 63.200 0.225 0.000 0.833 35 S HN 0.767 nan 8.310 nan 0.000 0.466 36 A N 1.758 124.675 122.820 0.161 0.000 1.902 36 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 36 A C 2.201 179.820 177.584 0.058 0.000 1.181 36 A CA 1.392 53.508 52.037 0.131 0.000 0.623 36 A CB -0.556 18.456 19.000 0.021 0.000 0.818 36 A HN 0.570 nan 8.150 nan 0.000 0.443 37 R N -1.396 119.126 120.500 0.035 0.000 2.092 37 R HA -0.092 4.248 4.340 -0.000 0.000 0.231 37 R C 2.422 178.705 176.300 -0.029 0.000 1.119 37 R CA 1.426 57.525 56.100 -0.001 0.000 0.970 37 R CB -0.222 30.085 30.300 0.012 0.000 0.864 37 R HN 0.401 nan 8.270 nan 0.000 0.440 38 R N 1.158 121.639 120.500 -0.032 0.000 2.090 38 R HA 0.022 4.362 4.340 -0.000 0.000 0.228 38 R C 1.955 178.151 176.300 -0.172 0.000 1.110 38 R CA 1.640 57.679 56.100 -0.103 0.000 0.973 38 R CB -0.635 29.584 30.300 -0.134 0.000 0.869 38 R HN 0.197 nan 8.270 nan 0.000 0.440 39 A N 0.371 123.092 122.820 -0.165 0.000 1.908 39 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 39 A C 2.368 179.733 177.584 -0.365 0.000 1.181 39 A CA 1.918 53.733 52.037 -0.369 0.000 0.627 39 A CB -1.112 17.590 19.000 -0.497 0.000 0.818 39 A HN 0.459 nan 8.150 nan 0.000 0.445 40 A N -0.423 122.279 122.820 -0.196 0.000 1.902 40 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 40 A C 2.014 179.542 177.584 -0.094 0.000 1.181 40 A CA 1.820 53.780 52.037 -0.127 0.000 0.623 40 A CB -0.561 18.410 19.000 -0.048 0.000 0.818 40 A HN 0.687 nan 8.150 nan 0.000 0.443 41 E N -0.266 119.884 120.200 -0.083 0.000 2.204 41 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 41 E C 1.328 177.893 176.600 -0.057 0.000 0.990 41 E CA 0.745 57.115 56.400 -0.050 0.000 0.821 41 E CB -0.162 29.515 29.700 -0.039 0.000 0.750 41 E HN 0.637 nan 8.360 nan 0.000 0.477 42 L N -0.806 120.353 121.223 -0.106 0.000 2.612 42 L HA 0.232 4.572 4.340 -0.000 0.000 0.230 42 L C 1.412 178.238 176.870 -0.074 0.000 1.140 42 L CA 0.432 55.224 54.840 -0.080 0.000 0.896 42 L CB 0.408 42.406 42.059 -0.101 0.000 1.065 42 L HN 0.424 nan 8.230 nan 0.000 0.447 43 G N -0.324 108.418 108.800 -0.096 0.000 2.213 43 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 43 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 43 G C 0.493 175.318 174.900 -0.124 0.000 0.992 43 G CA -0.117 44.938 45.100 -0.074 0.000 0.632 43 G HN 0.458 nan 8.290 nan 0.000 0.511 44 A N 0.021 122.665 122.820 -0.293 0.000 2.498 44 A HA 0.613 4.933 4.320 -0.000 0.000 0.239 44 A C 0.721 178.198 177.584 -0.179 0.000 1.068 44 A CA 0.892 52.682 52.037 -0.412 0.000 0.766 44 A CB 0.281 18.563 19.000 -1.198 0.000 1.003 44 A HN 0.970 nan 8.150 nan 0.000 0.497 45 R N 1.559 122.032 120.500 -0.046 0.000 2.205 45 R HA 0.576 4.916 4.340 -0.000 0.000 0.342 45 R C -0.296 176.114 176.300 0.184 0.000 1.058 45 R CA 0.625 56.772 56.100 0.078 0.000 0.904 45 R CB -0.223 30.136 30.300 0.098 0.000 1.089 45 R HN 0.910 nan 8.270 nan 0.000 0.471 46 A N 2.458 125.361 122.820 0.139 0.000 2.386 46 A HA 0.927 5.247 4.320 -0.000 0.000 0.308 46 A C -1.251 176.324 177.584 -0.016 0.000 1.128 46 A CA -0.335 51.762 52.037 0.101 0.000 0.789 46 A CB 1.789 20.836 19.000 0.079 0.000 1.325 46 A HN 0.810 nan 8.150 nan 0.000 0.437 47 A N 0.058 122.729 122.820 -0.249 0.000 2.486 47 A HA 0.683 5.003 4.320 -0.000 0.000 0.300 47 A C -1.333 176.050 177.584 -0.335 0.000 1.048 47 A CA -0.414 51.400 52.037 -0.372 0.000 0.696 47 A CB 1.459 19.959 19.000 -0.832 0.000 1.278 47 A HN 1.261 nan 8.150 nan 0.000 0.405 48 V N 1.948 121.709 119.914 -0.255 0.000 2.495 48 V HA 0.493 4.613 4.120 -0.000 0.000 0.298 48 V C -0.396 175.553 176.094 -0.241 0.000 1.031 48 V CA -0.533 61.633 62.300 -0.223 0.000 0.871 48 V CB 1.741 33.486 31.823 -0.130 0.000 0.988 48 V HN 0.685 nan 8.190 nan 0.000 0.432 49 V N 3.923 123.682 119.914 -0.258 0.000 2.370 49 V HA 0.590 4.710 4.120 -0.000 0.000 0.279 49 V C -0.315 175.667 176.094 -0.187 0.000 1.029 49 V CA -0.446 61.697 62.300 -0.261 0.000 0.870 49 V CB 1.493 33.120 31.823 -0.325 0.000 0.984 49 V HN 0.943 nan 8.190 nan 0.000 0.451 50 E N 2.961 123.071 120.200 -0.151 0.000 2.246 50 E HA 0.431 4.781 4.350 -0.000 0.000 0.266 50 E C 0.520 177.044 176.600 -0.127 0.000 0.880 50 E CA -0.158 56.176 56.400 -0.110 0.000 0.762 50 E CB 2.176 31.838 29.700 -0.064 0.000 1.180 50 E HN 0.557 nan 8.360 nan 0.000 0.416 51 S N 3.578 119.177 115.700 -0.168 0.000 2.501 51 S HA 0.137 4.607 4.470 -0.000 0.000 0.220 51 S C 0.754 175.056 174.600 -0.497 0.000 0.997 51 S CA 0.336 58.349 58.200 -0.311 0.000 0.919 51 S CB -0.119 62.870 63.200 -0.351 0.000 0.778 51 S HN 0.576 nan 8.310 nan 0.000 0.523 52 H N 1.322 120.392 119.070 0.000 0.000 4.854 52 H HA 0.510 5.066 4.556 0.000 0.000 0.255 52 H C -0.575 174.748 175.328 -0.008 0.000 1.334 52 H CA -0.549 55.500 56.048 0.001 0.000 0.630 52 H CB -0.191 29.575 29.762 0.006 0.000 1.417 52 H HN 0.144 nan 8.280 nan 0.000 0.481 53 K N 1.621 122.117 120.400 0.159 0.000 2.211 53 K HA 0.364 4.684 4.320 -0.000 0.000 0.275 53 K C -0.245 176.371 176.600 0.026 0.000 1.024 53 K CA -0.354 55.969 56.287 0.059 0.000 0.887 53 K CB 1.467 33.983 32.500 0.027 0.000 1.084 53 K HN 0.138 nan 8.250 nan 0.000 0.463 54 L N 1.535 122.767 121.223 0.016 0.000 2.483 54 L HA -0.013 4.327 4.340 -0.000 0.000 0.276 54 L C 1.421 178.261 176.870 -0.051 0.000 1.213 54 L CA 1.065 55.909 54.840 0.007 0.000 0.843 54 L CB 0.275 42.371 42.059 0.061 0.000 1.107 54 L HN 1.117 nan 8.230 nan 0.000 0.487 55 G N 1.007 109.738 108.800 -0.114 0.000 2.307 55 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.210 55 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.210 55 G C 0.663 175.477 174.900 -0.143 0.000 1.005 55 G CA -0.180 44.791 45.100 -0.215 0.000 0.634 55 G HN 1.438 nan 8.290 nan 0.000 0.496 56 G N -0.669 108.085 108.800 -0.078 0.000 2.564 56 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.273 56 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.273 56 G C 1.042 175.909 174.900 -0.055 0.000 1.242 56 G CA 1.515 46.588 45.100 -0.045 0.000 0.951 56 G HN 1.360 nan 8.290 nan 0.000 0.564 57 T N -0.214 114.321 114.554 -0.032 0.000 2.746 57 T HA -0.183 4.167 4.350 -0.000 0.000 0.267 57 T C 2.476 177.140 174.700 -0.060 0.000 1.039 57 T CA 2.515 64.599 62.100 -0.027 0.000 1.142 57 T CB -0.754 68.124 68.868 0.016 0.000 0.866 57 T HN 1.076 nan 8.240 nan 0.000 0.444 58 C N 2.116 121.378 119.300 -0.064 0.000 2.359 58 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 58 C C 2.860 177.768 174.990 -0.137 0.000 1.192 58 C CA 1.579 60.547 59.018 -0.082 0.000 1.759 58 C CB -1.284 26.403 27.740 -0.089 0.000 2.038 58 C HN 0.517 nan 8.230 nan 0.000 0.448 59 V N 0.211 120.023 119.914 -0.170 0.000 2.649 59 V HA 0.039 4.159 4.120 -0.000 0.000 0.248 59 V C 2.087 178.045 176.094 -0.227 0.000 1.054 59 V CA 2.207 64.379 62.300 -0.213 0.000 1.073 59 V CB -0.935 30.749 31.823 -0.232 0.000 0.699 59 V HN 0.582 nan 8.190 nan 0.000 0.463 60 N N 1.554 120.139 118.700 -0.192 0.000 2.305 60 N HA 0.055 4.795 4.740 -0.000 0.000 0.179 60 N C 1.236 176.583 175.510 -0.273 0.000 1.019 60 N CA 1.990 54.927 53.050 -0.188 0.000 0.869 60 N CB 0.867 39.286 38.487 -0.113 0.000 1.000 60 N HN 0.668 nan 8.380 nan 0.000 0.431 61 V N -3.496 116.261 119.914 -0.261 0.000 3.047 61 V HA 0.680 4.800 4.120 -0.000 0.000 0.374 61 V C 0.339 176.324 176.094 -0.182 0.000 1.399 61 V CA -0.229 61.881 62.300 -0.318 0.000 1.251 61 V CB 0.559 32.413 31.823 0.051 0.000 1.228 61 V HN 0.157 nan 8.190 nan 0.000 0.589 62 G N -0.494 108.161 108.800 -0.241 0.000 3.354 62 G HA2 0.257 4.217 3.960 -0.000 0.000 0.174 62 G HA3 0.257 4.217 3.960 -0.000 0.000 0.174 62 G C 0.857 175.740 174.900 -0.029 0.000 1.140 62 G CA 0.630 45.720 45.100 -0.017 0.000 0.897 62 G HN 0.205 nan 8.290 nan 0.000 0.685 63 C N 0.021 119.327 119.300 0.009 0.000 2.304 63 C HA -0.155 4.305 4.460 -0.000 0.000 0.269 63 C C 2.927 177.887 174.990 -0.050 0.000 1.136 63 C CA 1.332 60.353 59.018 0.005 0.000 1.796 63 C CB -1.502 26.238 27.740 -0.000 0.000 2.017 63 C HN 0.315 nan 8.230 nan 0.000 0.431 64 V N 2.897 122.757 119.914 -0.090 0.000 2.223 64 V HA -0.162 3.958 4.120 -0.000 0.000 0.244 64 V C 0.218 176.284 176.094 -0.047 0.000 1.045 64 V CA 2.802 65.056 62.300 -0.077 0.000 1.000 64 V CB -2.164 29.569 31.823 -0.149 0.000 0.635 64 V HN 0.453 nan 8.190 nan 0.000 0.445 65 P HA -0.201 nan 4.420 nan 0.000 0.218 65 P C 1.584 178.986 177.300 0.170 0.000 1.149 65 P CA 1.480 64.516 63.100 -0.107 0.000 0.817 65 P CB -0.096 31.287 31.700 -0.530 0.000 0.785 66 K N 1.245 121.764 120.400 0.198 0.000 2.026 66 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 66 K C 2.115 178.817 176.600 0.171 0.000 1.048 66 K CA 1.703 58.218 56.287 0.381 0.000 0.929 66 K CB -0.514 32.166 32.500 0.300 0.000 0.713 66 K HN -0.119 nan 8.250 nan 0.000 0.439 67 K N 0.735 121.130 120.400 -0.009 0.000 2.097 67 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 67 K C 1.989 178.631 176.600 0.070 0.000 1.049 67 K CA 1.168 57.382 56.287 -0.122 0.000 0.933 67 K CB -0.308 32.042 32.500 -0.251 0.000 0.717 67 K HN 0.004 nan 8.250 nan 0.000 0.442 68 V N 0.674 120.643 119.914 0.092 0.000 2.343 68 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 68 V C 2.263 178.403 176.094 0.077 0.000 1.051 68 V CA 1.625 63.970 62.300 0.076 0.000 1.036 68 V CB -0.446 31.431 31.823 0.089 0.000 0.654 68 V HN 0.343 nan 8.190 nan 0.000 0.451 69 M N -1.711 117.976 119.600 0.146 0.000 2.229 69 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 69 M C 1.938 178.328 176.300 0.150 0.000 1.063 69 M CA 1.325 56.695 55.300 0.118 0.000 1.114 69 M CB -1.238 31.512 32.600 0.251 0.000 1.387 69 M HN 0.627 nan 8.290 nan 0.000 0.420 70 W N 2.429 123.739 121.300 0.016 0.000 2.381 70 W HA -0.134 4.526 4.660 -0.000 0.000 0.301 70 W C 1.923 178.448 176.519 0.011 0.000 1.205 70 W CA 1.398 58.762 57.345 0.033 0.000 1.285 70 W CB -0.395 29.030 29.460 -0.059 0.000 1.133 70 W HN 0.240 nan 8.180 nan 0.000 0.521 71 N N -0.330 118.411 118.700 0.069 0.000 2.149 71 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 71 N C 1.575 176.970 175.510 -0.192 0.000 1.019 71 N CA 2.311 55.281 53.050 -0.133 0.000 0.857 71 N CB -0.962 37.515 38.487 -0.017 0.000 0.997 71 N HN 0.170 nan 8.380 nan 0.000 0.426 72 T N 0.844 115.316 114.554 -0.136 0.000 2.777 72 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 72 T C 2.001 176.538 174.700 -0.272 0.000 1.040 72 T CA 1.276 63.264 62.100 -0.188 0.000 1.141 72 T CB -0.316 68.430 68.868 -0.203 0.000 0.868 72 T HN 0.324 nan 8.240 nan 0.000 0.444 73 A N 1.056 123.721 122.820 -0.259 0.000 1.933 73 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 73 A C 2.564 179.956 177.584 -0.320 0.000 1.175 73 A CA 1.282 53.151 52.037 -0.279 0.000 0.628 73 A CB -1.012 17.898 19.000 -0.150 0.000 0.814 73 A HN 0.359 nan 8.150 nan 0.000 0.444 74 V N -0.563 119.103 119.914 -0.414 0.000 2.407 74 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 74 V C 2.417 178.219 176.094 -0.487 0.000 1.055 74 V CA 1.964 63.985 62.300 -0.465 0.000 1.049 74 V CB -1.025 30.356 31.823 -0.736 0.000 0.662 74 V HN 0.656 nan 8.190 nan 0.000 0.455 75 H N -0.596 118.141 119.070 -0.555 0.000 2.421 75 H HA -0.112 4.444 4.556 0.000 0.000 0.298 75 H C 2.620 177.784 175.328 -0.274 0.000 1.087 75 H CA 1.744 57.477 56.048 -0.525 0.000 1.330 75 H CB 0.043 29.559 29.762 -0.411 0.000 1.388 75 H HN 0.453 nan 8.280 nan 0.000 0.526 76 S N 0.098 115.703 115.700 -0.158 0.000 2.383 76 S HA -0.099 4.371 4.470 -0.000 0.000 0.227 76 S C 1.852 176.382 174.600 -0.117 0.000 1.026 76 S CA 0.794 58.882 58.200 -0.187 0.000 0.981 76 S CB 0.168 63.239 63.200 -0.215 0.000 0.818 76 S HN 0.423 nan 8.310 nan 0.000 0.472 77 E N 0.624 120.844 120.200 0.034 0.000 2.110 77 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 77 E C 1.695 178.484 176.600 0.316 0.000 0.988 77 E CA 0.877 57.414 56.400 0.228 0.000 0.804 77 E CB -0.517 29.301 29.700 0.196 0.000 0.745 77 E HN 0.565 nan 8.360 nan 0.000 0.458 78 F N 1.014 120.925 119.950 -0.065 0.000 2.146 78 F HA -0.068 4.459 4.527 0.000 0.000 0.298 78 F C 2.551 178.344 175.800 -0.010 0.000 1.096 78 F CA 0.807 58.784 58.000 -0.038 0.000 1.275 78 F CB -0.810 38.083 39.000 -0.179 0.000 1.008 78 F HN -0.004 nan 8.300 nan 0.000 0.480 79 M N -0.606 119.041 119.600 0.079 0.000 2.106 79 M HA -0.267 4.213 4.480 -0.000 0.000 0.259 79 M C 2.318 178.622 176.300 0.008 0.000 1.068 79 M CA 1.886 57.147 55.300 -0.065 0.000 1.100 79 M CB -0.438 32.029 32.600 -0.220 0.000 1.351 79 M HN 0.118 nan 8.290 nan 0.000 0.404 80 H N -0.068 119.087 119.070 0.143 0.000 2.457 80 H HA -0.058 4.498 4.556 0.000 0.000 0.294 80 H C 0.991 176.417 175.328 0.164 0.000 1.064 80 H CA 1.358 57.486 56.048 0.133 0.000 1.330 80 H CB -0.290 29.534 29.762 0.103 0.000 1.395 80 H HN 0.512 nan 8.280 nan 0.000 0.541 81 D N -0.926 119.661 120.400 0.312 0.000 2.349 81 D HA -0.037 4.603 4.640 -0.000 0.000 0.214 81 D C 1.803 178.308 176.300 0.341 0.000 1.063 81 D CA 0.096 54.274 54.000 0.296 0.000 0.847 81 D CB -0.080 40.925 40.800 0.341 0.000 0.933 81 D HN 0.365 nan 8.370 nan 0.000 0.513 82 H N 1.981 121.172 119.070 0.202 0.000 2.319 82 H HA -0.121 4.435 4.556 0.000 0.000 0.297 82 H C 1.970 177.472 175.328 0.289 0.000 1.097 82 H CA 2.279 58.456 56.048 0.215 0.000 1.285 82 H CB -0.001 29.835 29.762 0.122 0.000 1.368 82 H HN 0.095 nan 8.280 nan 0.000 0.495 83 A N 0.293 123.250 122.820 0.227 0.000 1.902 83 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 83 A C 2.130 179.750 177.584 0.060 0.000 1.181 83 A CA 1.825 53.931 52.037 0.114 0.000 0.623 83 A CB -0.455 18.611 19.000 0.110 0.000 0.818 83 A HN 0.511 nan 8.150 nan 0.000 0.443 84 D N -1.594 118.843 120.400 0.063 0.000 2.221 84 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 84 D C 0.612 176.821 176.300 -0.152 0.000 0.982 84 D CA 1.108 55.073 54.000 -0.058 0.000 0.857 84 D CB -0.244 40.499 40.800 -0.094 0.000 0.934 84 D HN 0.598 nan 8.370 nan 0.000 0.475 85 Y N -0.226 120.076 120.300 0.003 0.000 2.537 85 Y HA 0.304 4.854 4.550 0.000 0.000 0.303 85 Y C 1.600 177.451 175.900 -0.082 0.000 1.176 85 Y CA 0.185 58.288 58.100 0.005 0.000 1.273 85 Y CB 0.425 38.949 38.460 0.106 0.000 1.110 85 Y HN 0.026 nan 8.280 nan 0.000 0.518 86 G N -0.935 107.818 108.800 -0.077 0.000 2.141 86 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.242 86 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.242 86 G C -0.148 174.445 174.900 -0.512 0.000 0.982 86 G CA -0.218 44.704 45.100 -0.297 0.000 0.662 86 G HN 0.235 nan 8.290 nan 0.000 0.527 87 F N 0.114 119.934 119.950 -0.217 0.000 2.594 87 F HA 0.673 5.200 4.527 0.000 0.000 0.335 87 F C -2.038 173.657 175.800 -0.176 0.000 1.058 87 F CA -2.638 55.178 58.000 -0.307 0.000 0.981 87 F CB 1.431 39.906 39.000 -0.875 0.000 1.289 87 F HN -0.194 nan 8.300 nan 0.000 0.490 88 P HA 0.122 nan 4.420 nan 0.000 0.275 88 P C -0.634 176.815 177.300 0.247 0.000 1.227 88 P CA -0.311 62.881 63.100 0.155 0.000 0.781 88 P CB 1.122 32.910 31.700 0.147 0.000 0.906 89 S N 1.850 117.665 115.700 0.191 0.000 2.563 89 S HA 0.081 4.551 4.470 -0.000 0.000 0.284 89 S C 0.100 174.814 174.600 0.190 0.000 1.331 89 S CA -0.357 57.970 58.200 0.211 0.000 1.047 89 S CB -0.341 62.944 63.200 0.141 0.000 0.859 89 S HN 0.457 nan 8.310 nan 0.000 0.514 90 C N 4.145 123.538 119.300 0.154 0.000 2.335 90 C HA 0.430 4.890 4.460 -0.000 0.000 0.363 90 C C 1.863 176.884 174.990 0.052 0.000 1.198 90 C CA -0.799 58.258 59.018 0.064 0.000 2.279 90 C CB 0.326 28.045 27.740 -0.035 0.000 2.334 90 C HN 1.025 nan 8.230 nan 0.000 0.559 91 E N 0.682 120.903 120.200 0.034 0.000 1.987 91 E HA 0.140 4.490 4.350 -0.000 0.000 0.200 91 E C 1.444 178.067 176.600 0.038 0.000 0.990 91 E CA 1.498 57.921 56.400 0.038 0.000 0.859 91 E CB -0.178 29.539 29.700 0.029 0.000 0.805 91 E HN 1.067 nan 8.360 nan 0.000 0.499 92 G N 0.481 109.299 108.800 0.030 0.000 2.321 92 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.174 92 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.174 92 G C -0.098 174.847 174.900 0.076 0.000 1.008 92 G CA -0.180 44.941 45.100 0.035 0.000 0.739 92 G HN 0.038 nan 8.290 nan 0.000 0.502 93 K N 1.601 122.042 120.400 0.070 0.000 2.167 93 K HA 0.503 4.823 4.320 -0.000 0.000 0.275 93 K C 0.008 176.677 176.600 0.116 0.000 1.103 93 K CA -1.087 55.250 56.287 0.083 0.000 0.963 93 K CB -0.802 31.722 32.500 0.041 0.000 1.243 93 K HN 0.122 nan 8.250 nan 0.000 0.407 94 F N 3.351 123.307 119.950 0.010 0.000 2.518 94 F HA 0.252 4.779 4.527 0.000 0.000 0.359 94 F C 0.227 176.051 175.800 0.039 0.000 1.118 94 F CA -0.221 57.786 58.000 0.011 0.000 1.287 94 F CB 0.542 39.561 39.000 0.031 0.000 1.132 94 F HN 0.487 nan 8.300 nan 0.000 0.587 95 N N 7.095 125.279 118.700 -0.860 0.000 2.626 95 N HA -0.007 4.733 4.740 -0.000 0.000 0.242 95 N C 0.719 175.603 175.510 -1.043 0.000 1.005 95 N CA -0.453 52.194 53.050 -0.672 0.000 0.905 95 N CB 0.045 38.329 38.487 -0.338 0.000 1.128 95 N HN 0.920 nan 8.380 nan 0.000 0.512 96 W N 4.372 125.044 121.300 -1.046 0.000 2.338 96 W HA -0.129 4.531 4.660 -0.000 0.000 0.304 96 W C 1.486 177.818 176.519 -0.313 0.000 1.212 96 W CA 1.199 58.183 57.345 -0.601 0.000 1.264 96 W CB 0.084 29.442 29.460 -0.170 0.000 1.142 96 W HN 0.608 nan 8.180 nan 0.000 0.512 97 R N 0.079 120.610 120.500 0.051 0.000 2.117 97 R HA -0.196 4.144 4.340 -0.000 0.000 0.243 97 R C 2.163 178.428 176.300 -0.058 0.000 1.143 97 R CA 2.182 58.306 56.100 0.040 0.000 0.968 97 R CB -0.557 29.741 30.300 -0.002 0.000 0.863 97 R HN 0.061 nan 8.270 nan 0.000 0.444 98 V N 0.823 120.649 119.914 -0.146 0.000 2.255 98 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 98 V C 2.177 178.196 176.094 -0.125 0.000 1.051 98 V CA 1.839 64.057 62.300 -0.136 0.000 1.018 98 V CB -0.445 31.277 31.823 -0.168 0.000 0.641 98 V HN 0.350 nan 8.190 nan 0.000 0.445 99 I N -0.434 120.034 120.570 -0.170 0.000 2.439 99 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 99 I C 2.354 178.390 176.117 -0.134 0.000 1.139 99 I CA 1.575 62.793 61.300 -0.135 0.000 1.438 99 I CB -0.568 37.370 38.000 -0.103 0.000 1.085 99 I HN 0.085 nan 8.210 nan 0.000 0.427 100 K N 1.018 121.320 120.400 -0.162 0.000 2.032 100 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 100 K C 1.917 178.514 176.600 -0.005 0.000 1.048 100 K CA 2.075 58.324 56.287 -0.063 0.000 0.927 100 K CB -0.220 32.322 32.500 0.069 0.000 0.712 100 K HN 0.534 nan 8.250 nan 0.000 0.441 101 E N 0.202 120.395 120.200 -0.012 0.000 2.072 101 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 101 E C 2.113 178.712 176.600 -0.002 0.000 0.985 101 E CA 1.151 57.550 56.400 -0.002 0.000 0.801 101 E CB -0.012 29.681 29.700 -0.012 0.000 0.750 101 E HN 0.303 nan 8.360 nan 0.000 0.452 102 K N 0.640 121.029 120.400 -0.019 0.000 2.103 102 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 102 K C 2.259 178.876 176.600 0.028 0.000 1.052 102 K CA 0.593 56.873 56.287 -0.012 0.000 0.945 102 K CB -0.056 32.416 32.500 -0.047 0.000 0.722 102 K HN -0.022 nan 8.250 nan 0.000 0.443 103 R N 1.257 121.773 120.500 0.026 0.000 2.066 103 R HA -0.146 4.194 4.340 -0.000 0.000 0.232 103 R C 1.402 177.753 176.300 0.085 0.000 1.131 103 R CA 1.753 57.901 56.100 0.079 0.000 0.955 103 R CB -0.027 30.302 30.300 0.049 0.000 0.851 103 R HN 0.119 nan 8.270 nan 0.000 0.432 104 D N 0.262 120.691 120.400 0.049 0.000 2.117 104 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 104 D C 1.681 178.001 176.300 0.034 0.000 0.987 104 D CA 1.487 55.506 54.000 0.031 0.000 0.829 104 D CB -0.211 40.606 40.800 0.030 0.000 0.961 104 D HN 0.365 nan 8.370 nan 0.000 0.460 105 A N 0.159 123.009 122.820 0.051 0.000 1.933 105 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 105 A C 2.166 179.812 177.584 0.103 0.000 1.175 105 A CA 1.120 53.191 52.037 0.056 0.000 0.628 105 A CB -0.901 18.126 19.000 0.046 0.000 0.814 105 A HN 0.300 nan 8.150 nan 0.000 0.444 106 Y N 0.807 121.091 120.300 -0.027 0.000 2.200 106 Y HA -0.141 4.409 4.550 -0.000 0.000 0.290 106 Y C 2.310 178.191 175.900 -0.031 0.000 1.137 106 Y CA 1.546 59.629 58.100 -0.029 0.000 1.163 106 Y CB -0.605 37.834 38.460 -0.034 0.000 0.988 106 Y HN 0.060 nan 8.280 nan 0.000 0.518 107 V N -0.610 119.221 119.914 -0.137 0.000 2.407 107 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 107 V C 2.474 178.479 176.094 -0.148 0.000 1.055 107 V CA 2.057 64.213 62.300 -0.240 0.000 1.049 107 V CB -0.960 30.768 31.823 -0.157 0.000 0.662 107 V HN 0.375 nan 8.190 nan 0.000 0.455 108 S N -0.484 115.178 115.700 -0.065 0.000 2.368 108 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 108 S C 2.103 176.686 174.600 -0.029 0.000 1.030 108 S CA 1.359 59.539 58.200 -0.034 0.000 0.999 108 S CB -0.286 62.911 63.200 -0.005 0.000 0.844 108 S HN 0.539 nan 8.310 nan 0.000 0.459 109 R N 0.760 121.251 120.500 -0.016 0.000 2.081 109 R HA 0.005 4.345 4.340 -0.000 0.000 0.235 109 R C 2.253 178.538 176.300 -0.025 0.000 1.131 109 R CA 1.072 57.176 56.100 0.006 0.000 0.960 109 R CB -0.624 29.716 30.300 0.068 0.000 0.856 109 R HN 0.383 nan 8.270 nan 0.000 0.436 110 L N 0.535 121.690 121.223 -0.114 0.000 2.017 110 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 110 L C 1.896 178.743 176.870 -0.039 0.000 1.073 110 L CA 1.561 56.326 54.840 -0.125 0.000 0.745 110 L CB -0.729 41.150 42.059 -0.300 0.000 0.894 110 L HN 0.308 nan 8.230 nan 0.000 0.432 111 N N -0.010 118.657 118.700 -0.055 0.000 2.166 111 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 111 N C 1.906 177.443 175.510 0.045 0.000 1.019 111 N CA 0.993 54.041 53.050 -0.003 0.000 0.856 111 N CB -0.104 38.367 38.487 -0.027 0.000 0.993 111 N HN 0.345 nan 8.380 nan 0.000 0.426 112 A N 1.643 124.476 122.820 0.021 0.000 1.843 112 A HA -0.040 4.280 4.320 -0.000 0.000 0.213 112 A C 2.146 179.745 177.584 0.024 0.000 1.202 112 A CA 0.571 52.619 52.037 0.019 0.000 0.607 112 A CB -0.713 18.293 19.000 0.009 0.000 0.847 112 A HN 0.305 nan 8.150 nan 0.000 0.445 113 I N -1.867 118.721 120.570 0.030 0.000 2.399 113 I HA -0.285 3.885 4.170 -0.000 0.000 0.254 113 I C 2.237 178.372 176.117 0.030 0.000 1.146 113 I CA 1.933 63.248 61.300 0.026 0.000 1.412 113 I CB -0.110 37.912 38.000 0.037 0.000 1.076 113 I HN 0.539 nan 8.210 nan 0.000 0.432 114 Y N 1.369 121.642 120.300 -0.045 0.000 2.201 114 Y HA -0.180 4.370 4.550 0.000 0.000 0.292 114 Y C 2.584 178.456 175.900 -0.046 0.000 1.119 114 Y CA 1.469 59.541 58.100 -0.047 0.000 1.127 114 Y CB -0.394 38.034 38.460 -0.054 0.000 1.019 114 Y HN 0.171 nan 8.280 nan 0.000 0.514 115 Q N 0.251 120.061 119.800 0.016 0.000 2.268 115 Q HA -0.302 4.038 4.340 -0.000 0.000 0.210 115 Q C 2.008 177.917 176.000 -0.151 0.000 0.988 115 Q CA 1.786 57.557 55.803 -0.052 0.000 0.883 115 Q CB -0.473 28.268 28.738 0.005 0.000 0.911 115 Q HN 0.651 nan 8.270 nan 0.000 0.430 116 N N 0.204 118.815 118.700 -0.147 0.000 2.188 116 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 116 N C 1.414 176.790 175.510 -0.224 0.000 1.018 116 N CA 0.734 53.695 53.050 -0.147 0.000 0.858 116 N CB 0.152 38.578 38.487 -0.102 0.000 0.989 116 N HN 0.257 nan 8.380 nan 0.000 0.426 117 N N 1.190 119.684 118.700 -0.343 0.000 2.166 117 N HA -0.121 4.619 4.740 -0.000 0.000 0.186 117 N C 1.840 177.126 175.510 -0.374 0.000 1.019 117 N CA 0.686 53.497 53.050 -0.397 0.000 0.856 117 N CB -0.345 37.782 38.487 -0.600 0.000 0.993 117 N HN 0.350 nan 8.380 nan 0.000 0.426 118 L N 0.666 121.645 121.223 -0.407 0.000 2.131 118 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 118 L C 2.118 178.868 176.870 -0.201 0.000 1.092 118 L CA 0.982 55.670 54.840 -0.254 0.000 0.759 118 L CB -0.624 41.330 42.059 -0.175 0.000 0.903 118 L HN 0.155 nan 8.230 nan 0.000 0.435 119 T N -0.639 113.791 114.554 -0.206 0.000 2.770 119 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 119 T C 1.876 176.371 174.700 -0.341 0.000 1.039 119 T CA 0.984 62.964 62.100 -0.199 0.000 1.142 119 T CB -0.023 68.758 68.868 -0.145 0.000 0.868 119 T HN 0.270 nan 8.240 nan 0.000 0.435 120 K N 1.271 121.477 120.400 -0.323 0.000 2.209 120 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 120 K C 2.251 178.545 176.600 -0.510 0.000 1.048 120 K CA 1.052 57.107 56.287 -0.386 0.000 0.940 120 K CB -0.050 32.318 32.500 -0.220 0.000 0.729 120 K HN 0.134 nan 8.250 nan 0.000 0.451 121 S N -0.211 115.283 115.700 -0.343 0.000 2.593 121 S HA 0.013 4.483 4.470 -0.000 0.000 0.217 121 S C -0.519 174.033 174.600 -0.080 0.000 0.966 121 S CA -0.014 58.082 58.200 -0.173 0.000 0.914 121 S CB -0.177 62.958 63.200 -0.110 0.000 0.776 121 S HN 0.393 nan 8.310 nan 0.000 0.523 122 H N -0.091 118.954 119.070 -0.042 0.000 2.770 122 H HA -0.128 4.428 4.556 -0.000 0.000 0.309 122 H C -0.517 174.803 175.328 -0.013 0.000 1.206 122 H CA 0.499 56.533 56.048 -0.023 0.000 1.147 122 H CB -2.150 27.602 29.762 -0.016 0.000 1.422 122 H HN 0.386 nan 8.280 nan 0.000 0.420 123 I N 0.932 121.511 120.570 0.016 0.000 2.336 123 I HA 0.109 4.279 4.170 -0.000 0.000 0.292 123 I C 0.892 177.010 176.117 0.002 0.000 0.991 123 I CA -0.373 60.933 61.300 0.009 0.000 1.227 123 I CB 1.345 39.327 38.000 -0.031 0.000 1.366 123 I HN 0.315 nan 8.210 nan 0.000 0.466 124 E N 6.990 127.205 120.200 0.024 0.000 2.360 124 E HA 0.294 4.644 4.350 -0.000 0.000 0.269 124 E C -0.967 175.596 176.600 -0.062 0.000 1.022 124 E CA -0.348 56.063 56.400 0.017 0.000 0.887 124 E CB 0.864 30.626 29.700 0.103 0.000 0.990 124 E HN 0.460 nan 8.360 nan 0.000 0.426 125 I N 6.163 126.702 120.570 -0.052 0.000 2.339 125 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 125 I C -0.267 175.793 176.117 -0.095 0.000 0.994 125 I CA -0.659 60.592 61.300 -0.081 0.000 1.191 125 I CB 1.182 39.152 38.000 -0.051 0.000 1.343 125 I HN 0.466 nan 8.210 nan 0.000 0.458 126 I N 6.336 126.807 120.570 -0.165 0.000 2.330 126 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 126 I C -0.060 175.965 176.117 -0.153 0.000 1.025 126 I CA -0.763 60.423 61.300 -0.191 0.000 1.197 126 I CB 0.895 38.652 38.000 -0.406 0.000 1.358 126 I HN 0.434 nan 8.210 nan 0.000 0.467 127 R N 4.390 124.836 120.500 -0.089 0.000 2.347 127 R HA 0.713 5.053 4.340 -0.000 0.000 0.304 127 R C 0.204 176.460 176.300 -0.074 0.000 1.072 127 R CA -0.004 56.051 56.100 -0.074 0.000 0.980 127 R CB 0.833 31.109 30.300 -0.040 0.000 0.986 127 R HN 0.914 nan 8.270 nan 0.000 0.448 128 G N 0.980 109.724 108.800 -0.094 0.000 2.351 128 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.353 128 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.353 128 G C -1.845 173.005 174.900 -0.083 0.000 1.358 128 G CA -1.069 43.988 45.100 -0.071 0.000 0.995 128 G HN 0.717 nan 8.290 nan 0.000 0.611 129 H N 0.296 119.292 119.070 -0.124 0.000 2.620 129 H HA 0.718 5.274 4.556 -0.000 0.000 0.313 129 H C 0.522 175.785 175.328 -0.109 0.000 1.075 129 H CA 0.831 56.807 56.048 -0.119 0.000 1.397 129 H CB 1.076 30.784 29.762 -0.090 0.000 1.446 129 H HN 0.965 nan 8.280 nan 0.000 0.493 130 A N 3.886 126.326 122.820 -0.634 0.000 2.312 130 A HA 0.809 5.129 4.320 -0.000 0.000 0.328 130 A C -0.863 176.385 177.584 -0.560 0.000 1.158 130 A CA -0.038 51.712 52.037 -0.480 0.000 0.821 130 A CB 0.647 19.385 19.000 -0.436 0.000 1.170 130 A HN 0.945 nan 8.150 nan 0.000 0.490 131 A N 0.975 123.603 122.820 -0.321 0.000 2.520 131 A HA 0.693 5.013 4.320 -0.000 0.000 0.298 131 A C -1.050 176.426 177.584 -0.180 0.000 1.051 131 A CA -0.579 51.337 52.037 -0.203 0.000 0.690 131 A CB 0.554 19.569 19.000 0.025 0.000 1.281 131 A HN 0.658 nan 8.150 nan 0.000 0.402 132 F N 1.657 121.612 119.950 0.007 0.000 2.471 132 F HA 0.416 4.943 4.527 0.000 0.000 0.353 132 F C 1.695 177.511 175.800 0.027 0.000 1.113 132 F CA 0.927 58.937 58.000 0.017 0.000 1.262 132 F CB 1.240 40.247 39.000 0.011 0.000 1.146 132 F HN 0.637 nan 8.300 nan 0.000 0.578 133 T N -1.897 112.797 114.554 0.233 0.000 2.927 133 T HA 0.294 4.644 4.350 -0.000 0.000 0.281 133 T C 0.881 175.654 174.700 0.122 0.000 0.998 133 T CA -0.293 61.891 62.100 0.140 0.000 1.019 133 T CB 1.337 70.268 68.868 0.104 0.000 1.061 133 T HN 0.556 nan 8.240 nan 0.000 0.518 134 S N -1.026 114.721 115.700 0.079 0.000 2.650 134 S HA 0.061 4.531 4.470 -0.000 0.000 0.219 134 S C 0.303 174.928 174.600 0.042 0.000 0.960 134 S CA -0.246 57.986 58.200 0.053 0.000 0.925 134 S CB -0.805 62.419 63.200 0.039 0.000 0.775 134 S HN 0.868 nan 8.310 nan 0.000 0.525 135 D N 3.500 123.932 120.400 0.054 0.000 2.458 135 D HA 0.116 4.756 4.640 -0.000 0.000 0.243 135 D C -0.633 175.688 176.300 0.035 0.000 1.146 135 D CA -1.599 52.427 54.000 0.044 0.000 0.877 135 D CB 0.936 41.768 40.800 0.054 0.000 1.176 135 D HN 0.045 nan 8.370 nan 0.000 0.461 136 P HA -0.192 nan 4.420 nan 0.000 0.217 136 P C -0.379 176.929 177.300 0.013 0.000 1.148 136 P CA 1.203 64.310 63.100 0.011 0.000 0.828 136 P CB 0.162 31.867 31.700 0.008 0.000 0.783 137 K N 1.496 121.912 120.400 0.026 0.000 2.143 137 K HA 0.281 4.601 4.320 -0.000 0.000 0.272 137 K C -2.215 174.420 176.600 0.057 0.000 1.001 137 K CA -2.542 53.765 56.287 0.033 0.000 0.915 137 K CB 0.269 32.791 32.500 0.037 0.000 1.047 137 K HN 0.022 nan 8.250 nan 0.000 0.458 138 P HA -0.077 nan 4.420 nan 0.000 0.254 138 P C -0.958 176.439 177.300 0.163 0.000 1.186 138 P CA 0.414 63.580 63.100 0.110 0.000 0.868 138 P CB 0.062 31.819 31.700 0.094 0.000 0.856 139 T N 4.884 119.555 114.554 0.196 0.000 2.912 139 T HA 0.638 4.988 4.350 -0.000 0.000 0.299 139 T C 0.284 175.103 174.700 0.199 0.000 1.052 139 T CA -0.542 61.667 62.100 0.181 0.000 0.996 139 T CB 1.258 70.202 68.868 0.127 0.000 1.070 139 T HN 0.310 nan 8.240 nan 0.000 0.465 140 I N -0.618 120.031 120.570 0.133 0.000 2.957 140 I HA 0.863 5.033 4.170 -0.000 0.000 0.310 140 I C -0.658 175.518 176.117 0.098 0.000 1.063 140 I CA -1.030 60.282 61.300 0.019 0.000 1.033 140 I CB 2.398 40.291 38.000 -0.178 0.000 1.230 140 I HN 0.585 nan 8.210 nan 0.000 0.447 141 E N 3.073 123.302 120.200 0.048 0.000 2.234 141 E HA 0.614 4.964 4.350 -0.000 0.000 0.266 141 E C -1.976 174.670 176.600 0.076 0.000 0.877 141 E CA -0.760 55.703 56.400 0.104 0.000 0.758 141 E CB 2.521 32.264 29.700 0.071 0.000 1.170 141 E HN 0.595 nan 8.360 nan 0.000 0.415 142 V N 4.321 124.331 119.914 0.161 0.000 2.407 142 V HA 0.251 4.371 4.120 -0.000 0.000 0.291 142 V C 0.632 176.794 176.094 0.114 0.000 1.018 142 V CA -0.131 62.223 62.300 0.090 0.000 0.842 142 V CB 0.917 32.750 31.823 0.016 0.000 0.996 142 V HN 1.027 nan 8.190 nan 0.000 0.426 143 S N 3.858 119.603 115.700 0.075 0.000 1.552 143 S HA -0.236 4.234 4.470 -0.000 0.000 0.237 143 S C 1.305 175.939 174.600 0.056 0.000 0.756 143 S CA 2.182 60.418 58.200 0.061 0.000 1.349 143 S CB -1.308 61.927 63.200 0.059 0.000 1.675 143 S HN 1.752 nan 8.310 nan 0.000 0.517 144 G N 0.666 109.504 108.800 0.063 0.000 4.496 144 G HA2 0.306 4.266 3.960 -0.000 0.000 0.211 144 G HA3 0.306 4.266 3.960 -0.000 0.000 0.211 144 G C -0.581 174.334 174.900 0.024 0.000 0.831 144 G CA -0.147 44.977 45.100 0.040 0.000 0.815 144 G HN 0.451 nan 8.290 nan 0.000 0.528 145 K N 1.031 121.455 120.400 0.041 0.000 2.259 145 K HA 0.620 4.940 4.320 -0.000 0.000 0.249 145 K C -0.627 175.914 176.600 -0.098 0.000 0.942 145 K CA -0.928 55.320 56.287 -0.065 0.000 0.816 145 K CB 1.925 34.354 32.500 -0.119 0.000 1.155 145 K HN -0.160 nan 8.250 nan 0.000 0.428 146 K N 1.963 122.229 120.400 -0.223 0.000 2.110 146 K HA 0.402 4.722 4.320 -0.000 0.000 0.263 146 K C -0.885 175.509 176.600 -0.342 0.000 0.975 146 K CA -0.479 55.730 56.287 -0.130 0.000 0.895 146 K CB 0.882 33.350 32.500 -0.053 0.000 1.060 146 K HN 0.478 nan 8.250 nan 0.000 0.448 147 Y N -0.854 119.484 120.300 0.064 0.000 2.492 147 Y HA 0.390 4.940 4.550 -0.000 0.000 0.346 147 Y C 0.428 176.399 175.900 0.118 0.000 0.997 147 Y CA -0.715 57.458 58.100 0.120 0.000 1.025 147 Y CB 2.574 41.080 38.460 0.078 0.000 1.263 147 Y HN 0.532 nan 8.280 nan 0.000 0.454 148 T N 1.053 115.798 114.554 0.318 0.000 2.864 148 T HA 0.943 5.293 4.350 -0.000 0.000 0.299 148 T C -1.667 173.197 174.700 0.274 0.000 1.166 148 T CA -0.307 61.935 62.100 0.236 0.000 1.007 148 T CB 1.404 70.363 68.868 0.153 0.000 1.219 148 T HN 1.105 nan 8.240 nan 0.000 0.506 149 A N 2.672 125.625 122.820 0.222 0.000 2.590 149 A HA 0.694 5.014 4.320 -0.000 0.000 0.294 149 A C -2.597 175.083 177.584 0.161 0.000 1.046 149 A CA -0.930 51.249 52.037 0.238 0.000 0.684 149 A CB 0.862 20.058 19.000 0.327 0.000 1.279 149 A HN 0.535 nan 8.150 nan 0.000 0.415 150 P HA 0.008 nan 4.420 nan 0.000 0.229 150 P C -0.174 176.976 177.300 -0.250 0.000 1.160 150 P CA 1.173 64.190 63.100 -0.138 0.000 0.777 150 P CB 0.008 31.554 31.700 -0.257 0.000 0.814 151 H N -0.006 119.283 119.070 0.364 0.000 2.744 151 H HA 0.478 5.033 4.556 -0.000 0.000 0.339 151 H C -0.167 175.488 175.328 0.546 0.000 1.004 151 H CA -0.653 55.721 56.048 0.543 0.000 1.257 151 H CB 1.824 31.915 29.762 0.549 0.000 1.552 151 H HN 0.004 nan 8.280 nan 0.000 0.522 152 I N 4.102 125.027 120.570 0.591 0.000 2.478 152 I HA 0.107 4.277 4.170 -0.000 0.000 0.287 152 I C -0.744 175.621 176.117 0.414 0.000 1.042 152 I CA -0.864 60.656 61.300 0.367 0.000 1.067 152 I CB 2.520 40.706 38.000 0.309 0.000 1.233 152 I HN 0.183 nan 8.210 nan 0.000 0.431 153 L N 8.135 129.474 121.223 0.193 0.000 2.282 153 L HA 0.588 4.928 4.340 -0.000 0.000 0.288 153 L C -0.761 176.173 176.870 0.107 0.000 1.033 153 L CA -0.027 54.935 54.840 0.203 0.000 0.807 153 L CB 1.161 43.250 42.059 0.050 0.000 1.209 153 L HN 0.398 nan 8.230 nan 0.000 0.423 154 I N 5.919 126.590 120.570 0.169 0.000 2.307 154 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 154 I C 0.206 176.378 176.117 0.092 0.000 1.021 154 I CA -0.235 61.140 61.300 0.124 0.000 1.224 154 I CB 1.364 39.480 38.000 0.193 0.000 1.376 154 I HN 0.825 nan 8.210 nan 0.000 0.470 155 A N 3.626 126.471 122.820 0.041 0.000 3.308 155 A HA 0.271 4.591 4.320 -0.000 0.000 0.275 155 A C 0.850 178.450 177.584 0.026 0.000 0.950 155 A CA -0.373 51.690 52.037 0.043 0.000 0.987 155 A CB -0.313 18.704 19.000 0.029 0.000 1.146 155 A HN 0.726 nan 8.150 nan 0.000 0.488 156 T N -2.654 111.922 114.554 0.036 0.000 3.129 156 T HA 0.426 4.776 4.350 -0.000 0.000 0.251 156 T C 1.347 176.079 174.700 0.055 0.000 1.117 156 T CA 0.936 63.056 62.100 0.033 0.000 1.034 156 T CB -0.370 68.516 68.868 0.030 0.000 0.968 156 T HN 1.963 nan 8.240 nan 0.000 0.526 157 G N 0.575 109.413 108.800 0.064 0.000 2.578 157 G HA2 0.191 4.151 3.960 -0.000 0.000 0.275 157 G HA3 0.191 4.151 3.960 -0.000 0.000 0.275 157 G C 0.153 175.103 174.900 0.084 0.000 1.271 157 G CA -0.209 44.935 45.100 0.072 0.000 0.941 157 G HN 1.305 nan 8.290 nan 0.000 0.564 158 G N -2.139 106.709 108.800 0.080 0.000 2.911 158 G HA2 0.944 4.904 3.960 -0.000 0.000 0.299 158 G HA3 0.944 4.904 3.960 -0.000 0.000 0.299 158 G C -0.430 174.509 174.900 0.064 0.000 1.283 158 G CA 0.215 45.362 45.100 0.078 0.000 0.805 158 G HN 1.915 nan 8.290 nan 0.000 0.548 159 M N -1.262 118.371 119.600 0.056 0.000 2.644 159 M HA 0.616 5.096 4.480 -0.000 0.000 0.273 159 M C -3.119 173.205 176.300 0.040 0.000 1.253 159 M CA -1.907 53.421 55.300 0.046 0.000 0.852 159 M CB 2.559 35.180 32.600 0.035 0.000 1.708 159 M HN 0.328 nan 8.290 nan 0.000 0.471 160 P HA 0.076 nan 4.420 nan 0.000 0.271 160 P C -0.757 176.546 177.300 0.004 0.000 1.218 160 P CA 0.090 63.211 63.100 0.035 0.000 0.780 160 P CB 1.226 32.959 31.700 0.056 0.000 0.901 161 S N 1.697 117.390 115.700 -0.012 0.000 2.499 161 S HA 0.495 4.965 4.470 -0.000 0.000 0.279 161 S C -0.152 174.367 174.600 -0.136 0.000 1.219 161 S CA -0.269 57.886 58.200 -0.074 0.000 1.062 161 S CB -0.234 62.925 63.200 -0.068 0.000 0.978 161 S HN 0.593 nan 8.310 nan 0.000 0.489 162 T N 3.063 117.471 114.554 -0.242 0.000 2.893 162 T HA 0.694 5.044 4.350 -0.000 0.000 0.291 162 T C -3.043 171.319 174.700 -0.564 0.000 1.028 162 T CA -1.852 59.996 62.100 -0.420 0.000 0.995 162 T CB 1.050 69.746 68.868 -0.286 0.000 1.051 162 T HN 0.401 nan 8.240 nan 0.000 0.470 163 P HA 0.265 nan 4.420 nan 0.000 0.272 163 P C -0.246 176.785 177.300 -0.448 0.000 1.223 163 P CA -0.422 62.304 63.100 -0.623 0.000 0.784 163 P CB 0.284 31.525 31.700 -0.765 0.000 0.923 164 H N 1.168 120.125 119.070 -0.188 0.000 2.582 164 H HA 0.026 4.582 4.556 -0.000 0.000 0.345 164 H C 1.119 176.392 175.328 -0.093 0.000 1.104 164 H CA -0.002 55.976 56.048 -0.116 0.000 1.390 164 H CB 1.107 30.820 29.762 -0.082 0.000 1.461 164 H HN 0.516 nan 8.280 nan 0.000 0.551 165 E N 1.734 121.982 120.200 0.080 0.000 2.130 165 E HA -0.190 4.160 4.350 -0.000 0.000 0.196 165 E C 1.902 178.523 176.600 0.037 0.000 0.998 165 E CA 1.804 58.229 56.400 0.041 0.000 0.806 165 E CB 0.063 29.786 29.700 0.039 0.000 0.738 165 E HN 0.654 nan 8.360 nan 0.000 0.459 166 S N -0.479 115.245 115.700 0.040 0.000 2.402 166 S HA -0.237 4.233 4.470 -0.000 0.000 0.229 166 S C 2.116 176.729 174.600 0.021 0.000 1.021 166 S CA 1.269 59.479 58.200 0.016 0.000 0.974 166 S CB -0.334 62.858 63.200 -0.014 0.000 0.800 166 S HN 0.422 nan 8.310 nan 0.000 0.484 167 Q N 0.736 120.557 119.800 0.035 0.000 2.033 167 Q HA 0.210 4.550 4.340 -0.000 0.000 0.196 167 Q C 0.021 176.029 176.000 0.012 0.000 0.970 167 Q CA 0.856 56.671 55.803 0.020 0.000 0.828 167 Q CB 0.143 28.891 28.738 0.016 0.000 0.895 167 Q HN 0.622 nan 8.270 nan 0.000 0.440 168 I N 3.120 123.690 120.570 0.001 0.000 2.495 168 I HA 0.333 4.503 4.170 -0.000 0.000 0.277 168 I C -2.392 173.754 176.117 0.048 0.000 1.045 168 I CA -2.469 58.849 61.300 0.029 0.000 1.135 168 I CB 1.868 39.883 38.000 0.024 0.000 1.241 168 I HN 0.103 nan 8.210 nan 0.000 0.469 169 P HA 0.062 nan 4.420 nan 0.000 0.267 169 P C 0.836 178.182 177.300 0.077 0.000 1.205 169 P CA 0.796 63.928 63.100 0.053 0.000 0.765 169 P CB 1.069 32.794 31.700 0.041 0.000 0.828 170 G N 2.999 111.846 108.800 0.078 0.000 2.175 170 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 170 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 170 G C 1.089 176.085 174.900 0.161 0.000 0.982 170 G CA 0.379 45.537 45.100 0.097 0.000 0.641 170 G HN 0.673 nan 8.290 nan 0.000 0.527 171 A N 0.958 123.886 122.820 0.180 0.000 1.978 171 A HA 0.124 4.444 4.320 -0.000 0.000 0.220 171 A C 2.670 180.440 177.584 0.311 0.000 1.170 171 A CA 2.743 54.962 52.037 0.303 0.000 0.636 171 A CB -0.782 18.204 19.000 -0.024 0.000 0.810 171 A HN 1.806 nan 8.150 nan 0.000 0.448 172 S N -0.173 115.618 115.700 0.151 0.000 2.500 172 S HA -0.017 4.453 4.470 -0.000 0.000 0.239 172 S C 1.531 176.214 174.600 0.138 0.000 0.989 172 S CA 1.193 59.467 58.200 0.123 0.000 0.951 172 S CB -0.643 62.598 63.200 0.068 0.000 0.759 172 S HN 0.496 nan 8.310 nan 0.000 0.523 173 L N 1.013 122.324 121.223 0.146 0.000 2.478 173 L HA 0.234 4.574 4.340 -0.000 0.000 0.223 173 L C 1.574 178.495 176.870 0.084 0.000 1.140 173 L CA 0.194 55.089 54.840 0.092 0.000 0.842 173 L CB -0.835 41.263 42.059 0.065 0.000 0.953 173 L HN 0.448 nan 8.230 nan 0.000 0.452 174 G N 0.364 109.270 108.800 0.176 0.000 2.462 174 G HA2 0.598 4.558 3.960 -0.000 0.000 0.319 174 G HA3 0.598 4.558 3.960 -0.000 0.000 0.319 174 G C -0.431 174.560 174.900 0.152 0.000 1.171 174 G CA -0.520 44.617 45.100 0.062 0.000 0.920 174 G HN 0.106 nan 8.290 nan 0.000 0.499 175 I N -2.031 118.577 120.570 0.062 0.000 3.237 175 I HA 0.886 5.056 4.170 -0.000 0.000 0.308 175 I C 0.373 176.579 176.117 0.148 0.000 1.093 175 I CA -0.944 60.421 61.300 0.108 0.000 1.001 175 I CB 2.285 40.316 38.000 0.053 0.000 1.245 175 I HN 0.638 nan 8.210 nan 0.000 0.485 176 T N -1.889 112.748 114.554 0.139 0.000 2.718 176 T HA 0.308 4.658 4.350 -0.000 0.000 0.267 176 T C 1.018 175.779 174.700 0.101 0.000 0.957 176 T CA 0.048 62.227 62.100 0.131 0.000 1.025 176 T CB 0.927 69.871 68.868 0.127 0.000 1.355 176 T HN 0.798 nan 8.240 nan 0.000 0.572 177 S N 0.045 115.788 115.700 0.073 0.000 2.419 177 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 177 S C 1.276 175.994 174.600 0.198 0.000 1.016 177 S CA 1.320 59.553 58.200 0.056 0.000 0.974 177 S CB -0.895 62.330 63.200 0.040 0.000 0.786 177 S HN 0.680 nan 8.310 nan 0.000 0.492 178 D N 2.258 122.778 120.400 0.200 0.000 2.117 178 D HA 0.019 4.659 4.640 -0.000 0.000 0.197 178 D C 2.190 178.619 176.300 0.215 0.000 0.987 178 D CA 1.464 55.605 54.000 0.234 0.000 0.829 178 D CB -1.022 39.860 40.800 0.137 0.000 0.961 178 D HN 0.559 nan 8.370 nan 0.000 0.460 179 G N -0.184 108.706 108.800 0.150 0.000 2.443 179 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 179 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 179 G C 1.463 176.423 174.900 0.100 0.000 1.131 179 G CA 0.112 45.278 45.100 0.109 0.000 0.775 179 G HN 0.236 nan 8.290 nan 0.000 0.547 180 F N 1.062 120.971 119.950 -0.069 0.000 2.126 180 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 180 F C 1.845 177.569 175.800 -0.126 0.000 1.096 180 F CA 1.127 59.024 58.000 -0.170 0.000 1.255 180 F CB -0.132 38.641 39.000 -0.378 0.000 0.997 180 F HN 0.111 nan 8.300 nan 0.000 0.479 181 F N 0.362 120.438 119.950 0.210 0.000 2.802 181 F HA 0.029 4.556 4.527 0.000 0.000 0.300 181 F C 2.026 177.863 175.800 0.061 0.000 1.168 181 F CA 0.646 58.716 58.000 0.116 0.000 1.433 181 F CB -0.693 38.409 39.000 0.169 0.000 1.115 181 F HN 0.135 nan 8.300 nan 0.000 0.582 182 Q N -0.373 119.524 119.800 0.162 0.000 2.352 182 Q HA 0.179 4.519 4.340 -0.000 0.000 0.212 182 Q C 0.473 176.501 176.000 0.047 0.000 0.888 182 Q CA -0.094 55.772 55.803 0.104 0.000 0.934 182 Q CB 0.480 29.264 28.738 0.076 0.000 1.093 182 Q HN 0.306 nan 8.270 nan 0.000 0.523 183 L N 1.837 123.051 121.223 -0.015 0.000 2.525 183 L HA -0.067 4.273 4.340 -0.000 0.000 0.278 183 L C 0.963 177.829 176.870 -0.006 0.000 1.218 183 L CA 0.742 55.501 54.840 -0.136 0.000 0.878 183 L CB 0.362 42.181 42.059 -0.400 0.000 1.127 183 L HN 0.221 nan 8.230 nan 0.000 0.492 184 E N 1.780 121.904 120.200 -0.127 0.000 2.526 184 E HA 0.076 4.426 4.350 -0.000 0.000 0.208 184 E C -0.431 176.092 176.600 -0.130 0.000 0.997 184 E CA 0.008 56.408 56.400 0.000 0.000 0.961 184 E CB 0.704 30.403 29.700 -0.003 0.000 1.030 184 E HN 0.691 nan 8.360 nan 0.000 0.483 185 E N 0.455 120.323 120.200 -0.552 0.000 2.413 185 E HA 0.336 4.686 4.350 -0.000 0.000 0.277 185 E C -1.092 174.917 176.600 -0.984 0.000 0.958 185 E CA -1.020 55.047 56.400 -0.554 0.000 0.779 185 E CB 1.409 30.948 29.700 -0.269 0.000 1.278 185 E HN -0.110 nan 8.360 nan 0.000 0.456 186 L N 2.198 123.080 121.223 -0.567 0.000 2.361 186 L HA 0.337 4.677 4.340 -0.000 0.000 0.278 186 L C -2.440 174.245 176.870 -0.308 0.000 1.113 186 L CA -1.182 53.388 54.840 -0.451 0.000 0.849 186 L CB 0.118 42.247 42.059 0.117 0.000 1.155 186 L HN 0.408 nan 8.230 nan 0.000 0.452 187 P HA 0.201 nan 4.420 nan 0.000 0.271 187 P C 0.606 177.847 177.300 -0.097 0.000 1.216 187 P CA -0.057 62.926 63.100 -0.195 0.000 0.771 187 P CB 1.089 32.680 31.700 -0.181 0.000 0.864 188 G N 2.683 111.439 108.800 -0.074 0.000 2.402 188 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 188 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 188 G C 0.538 175.421 174.900 -0.028 0.000 1.162 188 G CA 0.613 45.691 45.100 -0.037 0.000 0.777 188 G HN 0.448 nan 8.290 nan 0.000 0.539 189 R N -0.117 120.358 120.500 -0.042 0.000 2.502 189 R HA 0.583 4.923 4.340 -0.000 0.000 0.300 189 R C -1.445 174.824 176.300 -0.050 0.000 0.984 189 R CA -0.246 55.831 56.100 -0.037 0.000 0.882 189 R CB 1.632 31.910 30.300 -0.037 0.000 1.180 189 R HN 0.032 nan 8.270 nan 0.000 0.444 190 S N 2.272 117.947 115.700 -0.042 0.000 2.513 190 S HA 0.651 5.121 4.470 -0.000 0.000 0.299 190 S C -1.348 173.213 174.600 -0.065 0.000 1.087 190 S CA -0.724 57.444 58.200 -0.053 0.000 1.012 190 S CB 2.077 65.263 63.200 -0.024 0.000 1.044 190 S HN 0.329 nan 8.310 nan 0.000 0.485 191 V N 3.566 123.420 119.914 -0.101 0.000 2.443 191 V HA 0.480 4.600 4.120 -0.000 0.000 0.293 191 V C -1.139 174.859 176.094 -0.160 0.000 1.021 191 V CA -0.552 61.675 62.300 -0.122 0.000 0.848 191 V CB 1.249 32.985 31.823 -0.146 0.000 0.998 191 V HN 0.728 nan 8.190 nan 0.000 0.424 192 I N 5.319 125.815 120.570 -0.123 0.000 2.377 192 I HA 0.462 4.632 4.170 -0.000 0.000 0.293 192 I C -0.072 175.976 176.117 -0.115 0.000 0.987 192 I CA -0.365 60.859 61.300 -0.127 0.000 1.185 192 I CB 1.946 39.894 38.000 -0.086 0.000 1.341 192 I HN 0.281 nan 8.210 nan 0.000 0.455 193 V N 5.639 125.481 119.914 -0.119 0.000 2.347 193 V HA 0.949 5.069 4.120 -0.000 0.000 0.280 193 V C 0.402 176.529 176.094 0.055 0.000 1.021 193 V CA -0.243 62.042 62.300 -0.026 0.000 0.847 193 V CB 0.541 32.365 31.823 0.001 0.000 0.990 193 V HN 1.032 nan 8.190 nan 0.000 0.444 194 G N 3.612 112.434 108.800 0.036 0.000 2.345 194 G HA2 0.520 4.480 3.960 -0.000 0.000 0.310 194 G HA3 0.520 4.480 3.960 -0.000 0.000 0.310 194 G C -0.332 174.573 174.900 0.008 0.000 1.476 194 G CA 0.092 45.215 45.100 0.038 0.000 0.978 194 G HN 1.092 nan 8.290 nan 0.000 0.656 195 A N -0.599 122.231 122.820 0.016 0.000 2.551 195 A HA 0.763 5.083 4.320 -0.000 0.000 0.252 195 A C 1.223 178.811 177.584 0.006 0.000 1.199 195 A CA 1.348 53.386 52.037 0.001 0.000 0.972 195 A CB 0.072 19.078 19.000 0.011 0.000 1.153 195 A HN 2.078 nan 8.150 nan 0.000 0.559 196 G N -1.297 107.516 108.800 0.021 0.000 2.588 196 G HA2 0.319 4.279 3.960 -0.000 0.000 0.281 196 G HA3 0.319 4.279 3.960 -0.000 0.000 0.281 196 G C 0.686 175.608 174.900 0.036 0.000 1.236 196 G CA 0.166 45.304 45.100 0.064 0.000 0.969 196 G HN 0.633 nan 8.290 nan 0.000 0.504 197 Y N -0.992 119.311 120.300 0.005 0.000 2.274 197 Y HA -0.037 4.513 4.550 -0.000 0.000 0.290 197 Y C 2.264 178.154 175.900 -0.016 0.000 1.145 197 Y CA 1.262 59.340 58.100 -0.035 0.000 1.203 197 Y CB -0.386 38.081 38.460 0.012 0.000 0.984 197 Y HN 0.236 nan 8.280 nan 0.000 0.533 198 I N 1.024 121.137 120.570 -0.762 0.000 2.252 198 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 198 I C 2.829 178.782 176.117 -0.274 0.000 1.102 198 I CA 1.222 62.170 61.300 -0.587 0.000 1.385 198 I CB -0.715 36.966 38.000 -0.532 0.000 1.064 198 I HN 0.436 nan 8.210 nan 0.000 0.414 199 A N 0.500 123.210 122.820 -0.184 0.000 1.877 199 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 199 A C 2.437 179.968 177.584 -0.089 0.000 1.186 199 A CA 1.756 53.725 52.037 -0.114 0.000 0.620 199 A CB -0.975 17.987 19.000 -0.063 0.000 0.822 199 A HN 0.232 nan 8.150 nan 0.000 0.443 200 V N 0.181 120.056 119.914 -0.067 0.000 2.295 200 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 200 V C 2.445 178.544 176.094 0.008 0.000 1.049 200 V CA 2.340 64.623 62.300 -0.027 0.000 1.024 200 V CB -0.860 30.943 31.823 -0.034 0.000 0.648 200 V HN 0.643 nan 8.190 nan 0.000 0.447 201 E N -0.577 119.619 120.200 -0.006 0.000 2.077 201 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 201 E C 2.320 178.921 176.600 0.001 0.000 0.989 201 E CA 1.358 57.786 56.400 0.047 0.000 0.800 201 E CB -0.194 29.536 29.700 0.051 0.000 0.746 201 E HN 0.424 nan 8.360 nan 0.000 0.452 202 M N 0.374 119.880 119.600 -0.156 0.000 2.086 202 M HA -0.105 4.375 4.480 -0.000 0.000 0.261 202 M C 2.547 178.795 176.300 -0.087 0.000 1.067 202 M CA 1.236 56.359 55.300 -0.295 0.000 1.116 202 M CB -0.985 31.343 32.600 -0.453 0.000 1.348 202 M HN 0.104 nan 8.290 nan 0.000 0.407 203 A N 0.537 123.333 122.820 -0.040 0.000 1.908 203 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 203 A C 2.448 180.074 177.584 0.070 0.000 1.181 203 A CA 2.089 54.133 52.037 0.012 0.000 0.627 203 A CB -1.482 17.517 19.000 -0.001 0.000 0.818 203 A HN 0.529 nan 8.150 nan 0.000 0.445 204 G N -0.098 108.780 108.800 0.129 0.000 2.421 204 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 204 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 204 G C 1.541 176.552 174.900 0.185 0.000 1.171 204 G CA 1.130 46.370 45.100 0.233 0.000 0.775 204 G HN 0.474 nan 8.290 nan 0.000 0.543 205 I N 0.263 120.981 120.570 0.245 0.000 2.179 205 I HA -0.120 4.050 4.170 -0.000 0.000 0.242 205 I C 2.743 178.969 176.117 0.182 0.000 1.088 205 I CA 0.686 62.123 61.300 0.227 0.000 1.357 205 I CB -0.198 37.978 38.000 0.293 0.000 1.051 205 I HN 0.118 nan 8.210 nan 0.000 0.409 206 L N -0.381 120.981 121.223 0.230 0.000 2.046 206 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 206 L C 2.729 179.675 176.870 0.128 0.000 1.077 206 L CA 1.457 56.444 54.840 0.244 0.000 0.747 206 L CB -0.559 41.630 42.059 0.217 0.000 0.896 206 L HN 0.237 nan 8.230 nan 0.000 0.432 207 S N -0.496 115.246 115.700 0.071 0.000 2.355 207 S HA -0.154 4.316 4.470 -0.000 0.000 0.222 207 S C 2.131 176.730 174.600 -0.001 0.000 1.031 207 S CA 1.180 59.397 58.200 0.029 0.000 0.993 207 S CB -0.112 63.096 63.200 0.013 0.000 0.859 207 S HN 0.435 nan 8.310 nan 0.000 0.453 208 A N 1.068 123.853 122.820 -0.058 0.000 1.972 208 A HA 0.083 4.403 4.320 -0.000 0.000 0.219 208 A C 1.975 179.508 177.584 -0.086 0.000 1.169 208 A CA 1.191 53.159 52.037 -0.114 0.000 0.635 208 A CB -0.608 18.215 19.000 -0.295 0.000 0.810 208 A HN 0.586 nan 8.150 nan 0.000 0.446 209 L N -1.688 119.485 121.223 -0.083 0.000 2.599 209 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 209 L C 1.630 178.526 176.870 0.044 0.000 1.141 209 L CA 0.581 55.332 54.840 -0.148 0.000 0.877 209 L CB -0.005 41.935 42.059 -0.197 0.000 1.009 209 L HN 0.594 nan 8.230 nan 0.000 0.447 210 G N -1.080 107.763 108.800 0.072 0.000 2.229 210 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.189 210 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.189 210 G C 0.322 175.271 174.900 0.082 0.000 1.000 210 G CA 0.078 45.236 45.100 0.098 0.000 0.663 210 G HN 0.214 nan 8.290 nan 0.000 0.493 211 S N 0.366 116.114 115.700 0.081 0.000 2.548 211 S HA 0.487 4.957 4.470 -0.000 0.000 0.277 211 S C 0.527 175.145 174.600 0.029 0.000 1.315 211 S CA 0.021 58.250 58.200 0.050 0.000 1.050 211 S CB 0.896 64.127 63.200 0.051 0.000 0.918 211 S HN 0.497 nan 8.310 nan 0.000 0.497 212 K N 3.733 124.141 120.400 0.012 0.000 2.315 212 K HA 0.168 4.488 4.320 -0.000 0.000 0.291 212 K C -0.735 175.862 176.600 -0.004 0.000 1.074 212 K CA 0.050 56.339 56.287 0.003 0.000 0.936 212 K CB -0.168 32.330 32.500 -0.004 0.000 1.049 212 K HN 0.552 nan 8.250 nan 0.000 0.471 213 T N 2.335 116.888 114.554 -0.001 0.000 2.823 213 T HA 0.337 4.687 4.350 -0.000 0.000 0.279 213 T C -0.796 173.895 174.700 -0.014 0.000 0.998 213 T CA -0.721 61.376 62.100 -0.006 0.000 0.994 213 T CB 1.681 70.554 68.868 0.008 0.000 0.960 213 T HN 0.416 nan 8.240 nan 0.000 0.448 214 S N 1.845 117.530 115.700 -0.026 0.000 2.542 214 S HA 0.700 5.170 4.470 -0.000 0.000 0.293 214 S C -1.313 173.265 174.600 -0.038 0.000 1.089 214 S CA -0.732 57.450 58.200 -0.030 0.000 0.961 214 S CB 1.523 64.702 63.200 -0.036 0.000 1.062 214 S HN 0.578 nan 8.310 nan 0.000 0.483 215 L N 3.141 124.344 121.223 -0.033 0.000 2.343 215 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 215 L C -0.819 176.029 176.870 -0.037 0.000 0.996 215 L CA -0.321 54.496 54.840 -0.038 0.000 0.831 215 L CB 1.273 43.315 42.059 -0.029 0.000 1.232 215 L HN 0.792 nan 8.230 nan 0.000 0.413 216 M N 7.049 126.625 119.600 -0.041 0.000 2.113 216 M HA 0.534 5.014 4.480 -0.000 0.000 0.352 216 M C -0.960 175.328 176.300 -0.020 0.000 1.170 216 M CA -0.500 54.782 55.300 -0.029 0.000 1.053 216 M CB 0.605 33.187 32.600 -0.029 0.000 1.601 216 M HN 0.694 nan 8.290 nan 0.000 0.459 217 I N 1.361 121.909 120.570 -0.037 0.000 2.689 217 I HA 0.491 4.661 4.170 -0.000 0.000 0.299 217 I C 0.201 176.264 176.117 -0.090 0.000 1.059 217 I CA -1.013 60.259 61.300 -0.046 0.000 1.055 217 I CB 2.068 40.030 38.000 -0.064 0.000 1.243 217 I HN 0.707 nan 8.210 nan 0.000 0.425 218 R N 1.369 121.825 120.500 -0.072 0.000 2.189 218 R HA 0.106 4.446 4.340 -0.000 0.000 0.218 218 R C 0.555 176.541 176.300 -0.522 0.000 1.074 218 R CA 1.002 56.993 56.100 -0.182 0.000 0.991 218 R CB -0.186 30.053 30.300 -0.101 0.000 0.883 218 R HN 0.677 nan 8.270 nan 0.000 0.457 219 H N -1.072 117.757 119.070 -0.401 0.000 3.878 219 H HA 0.077 4.633 4.556 -0.000 0.000 0.332 219 H C 0.464 175.071 175.328 -1.201 0.000 1.613 219 H CA -0.266 55.257 56.048 -0.875 0.000 1.413 219 H CB 0.396 29.943 29.762 -0.358 0.000 1.066 219 H HN 0.035 nan 8.280 nan 0.000 0.797 220 D N 0.300 120.293 120.400 -0.678 0.000 2.366 220 D HA 0.081 4.721 4.640 -0.000 0.000 0.205 220 D C 0.062 176.271 176.300 -0.152 0.000 1.022 220 D CA 0.535 54.311 54.000 -0.374 0.000 0.868 220 D CB 1.074 41.844 40.800 -0.049 0.000 0.953 220 D HN 0.184 nan 8.370 nan 0.000 0.514 221 K N 0.043 120.374 120.400 -0.115 0.000 2.509 221 K HA 0.482 4.802 4.320 -0.000 0.000 0.266 221 K C -0.570 175.992 176.600 -0.063 0.000 0.987 221 K CA -1.088 55.157 56.287 -0.070 0.000 0.868 221 K CB 3.218 35.691 32.500 -0.046 0.000 1.421 221 K HN -0.076 nan 8.250 nan 0.000 0.444 222 V N -1.176 118.702 119.914 -0.060 0.000 3.134 222 V HA 0.416 4.536 4.120 -0.000 0.000 0.313 222 V C 0.540 176.589 176.094 -0.075 0.000 1.069 222 V CA -0.915 61.348 62.300 -0.062 0.000 1.048 222 V CB 0.199 31.979 31.823 -0.072 0.000 1.119 222 V HN 0.820 nan 8.190 nan 0.000 0.461 223 L N -0.603 120.574 121.223 -0.077 0.000 3.739 223 L HA -0.210 4.130 4.340 -0.000 0.000 0.442 223 L C 1.830 178.744 176.870 0.074 0.000 1.241 223 L CA 0.571 55.363 54.840 -0.080 0.000 0.819 223 L CB -1.317 40.452 42.059 -0.483 0.000 1.679 223 L HN 0.825 nan 8.230 nan 0.000 0.889 224 R N 0.224 120.756 120.500 0.053 0.000 2.293 224 R HA -0.115 4.225 4.340 -0.000 0.000 0.219 224 R C 2.114 178.455 176.300 0.068 0.000 1.091 224 R CA 1.433 57.549 56.100 0.027 0.000 1.004 224 R CB -0.138 30.129 30.300 -0.055 0.000 0.865 224 R HN 0.768 nan 8.270 nan 0.000 0.469 225 S N -0.434 115.361 115.700 0.159 0.000 2.528 225 S HA 0.057 4.527 4.470 -0.000 0.000 0.219 225 S C 0.538 175.169 174.600 0.053 0.000 0.985 225 S CA -0.136 58.114 58.200 0.085 0.000 0.914 225 S CB -0.035 63.200 63.200 0.059 0.000 0.776 225 S HN -0.031 nan 8.310 nan 0.000 0.526 226 F N 2.773 122.684 119.950 -0.064 0.000 2.362 226 F HA 0.389 4.916 4.527 -0.000 0.000 0.311 226 F C 1.014 176.726 175.800 -0.147 0.000 1.161 226 F CA -1.860 56.086 58.000 -0.091 0.000 1.085 226 F CB 0.105 39.063 39.000 -0.069 0.000 1.311 226 F HN 0.053 nan 8.300 nan 0.000 0.524 227 D N 0.274 120.628 120.400 -0.077 0.000 2.472 227 D HA -0.073 4.567 4.640 -0.000 0.000 0.237 227 D C 1.202 177.455 176.300 -0.079 0.000 1.141 227 D CA 0.539 54.402 54.000 -0.229 0.000 0.875 227 D CB 1.115 41.545 40.800 -0.616 0.000 1.192 227 D HN 0.630 nan 8.370 nan 0.000 0.450 228 S N 3.869 119.528 115.700 -0.068 0.000 2.387 228 S HA -0.302 4.168 4.470 -0.000 0.000 0.230 228 S C 2.101 176.688 174.600 -0.022 0.000 1.035 228 S CA 1.373 59.554 58.200 -0.032 0.000 1.014 228 S CB -0.363 62.822 63.200 -0.026 0.000 0.836 228 S HN 0.737 nan 8.310 nan 0.000 0.466 229 M N 0.981 120.566 119.600 -0.026 0.000 2.117 229 M HA -0.004 4.476 4.480 -0.000 0.000 0.262 229 M C 2.012 178.310 176.300 -0.004 0.000 1.065 229 M CA 1.667 56.964 55.300 -0.006 0.000 1.114 229 M CB -0.304 32.302 32.600 0.011 0.000 1.361 229 M HN 0.369 nan 8.290 nan 0.000 0.408 230 I N -0.864 119.706 120.570 -0.001 0.000 2.233 230 I HA -0.250 3.920 4.170 -0.000 0.000 0.243 230 I C 2.637 178.730 176.117 -0.041 0.000 1.093 230 I CA 1.241 62.539 61.300 -0.003 0.000 1.380 230 I CB -0.600 37.431 38.000 0.052 0.000 1.067 230 I HN 0.379 nan 8.210 nan 0.000 0.413 231 S N 0.338 116.022 115.700 -0.026 0.000 2.359 231 S HA -0.207 4.263 4.470 -0.000 0.000 0.224 231 S C 2.080 176.656 174.600 -0.040 0.000 1.035 231 S CA 2.416 60.591 58.200 -0.043 0.000 1.018 231 S CB -0.325 62.866 63.200 -0.015 0.000 0.876 231 S HN 0.421 nan 8.310 nan 0.000 0.448 232 T N 1.562 116.101 114.554 -0.024 0.000 2.701 232 T HA -0.057 4.293 4.350 -0.000 0.000 0.263 232 T C 1.782 176.471 174.700 -0.018 0.000 1.040 232 T CA 1.600 63.690 62.100 -0.017 0.000 1.147 232 T CB -0.735 68.129 68.868 -0.007 0.000 0.865 232 T HN 0.566 nan 8.240 nan 0.000 0.426 233 N N 0.177 118.865 118.700 -0.019 0.000 2.120 233 N HA -0.107 4.633 4.740 -0.000 0.000 0.188 233 N C 2.055 177.551 175.510 -0.024 0.000 1.024 233 N CA 1.229 54.268 53.050 -0.018 0.000 0.852 233 N CB -0.655 37.823 38.487 -0.016 0.000 1.003 233 N HN 0.386 nan 8.380 nan 0.000 0.424 234 C N -0.408 118.868 119.300 -0.041 0.000 2.425 234 C HA -0.040 4.420 4.460 -0.000 0.000 0.277 234 C C 2.494 177.464 174.990 -0.034 0.000 1.280 234 C CA 1.558 60.547 59.018 -0.048 0.000 1.744 234 C CB -1.538 26.141 27.740 -0.101 0.000 1.989 234 C HN 0.526 nan 8.230 nan 0.000 0.491 235 T N 0.562 115.094 114.554 -0.037 0.000 2.746 235 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 235 T C 1.558 176.249 174.700 -0.015 0.000 1.039 235 T CA 1.813 63.896 62.100 -0.028 0.000 1.142 235 T CB -0.331 68.519 68.868 -0.031 0.000 0.866 235 T HN 0.697 nan 8.240 nan 0.000 0.444 236 E N 0.829 121.022 120.200 -0.012 0.000 2.106 236 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 236 E C 2.403 179.001 176.600 -0.003 0.000 0.984 236 E CA 0.725 57.121 56.400 -0.006 0.000 0.806 236 E CB -0.037 29.659 29.700 -0.007 0.000 0.750 236 E HN 0.428 nan 8.360 nan 0.000 0.458 237 E N 0.718 120.919 120.200 0.002 0.000 2.150 237 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 237 E C 2.237 178.853 176.600 0.026 0.000 0.985 237 E CA 0.513 56.922 56.400 0.016 0.000 0.814 237 E CB -0.033 29.685 29.700 0.029 0.000 0.752 237 E HN 0.312 nan 8.360 nan 0.000 0.466 238 L N 0.854 122.089 121.223 0.021 0.000 2.027 238 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 238 L C 2.333 179.210 176.870 0.011 0.000 1.074 238 L CA 1.282 56.138 54.840 0.025 0.000 0.745 238 L CB -0.286 41.781 42.059 0.013 0.000 0.898 238 L HN 0.080 nan 8.230 nan 0.000 0.433 239 E N -0.141 120.061 120.200 0.002 0.000 2.110 239 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 239 E C 1.818 178.415 176.600 -0.006 0.000 0.988 239 E CA 1.058 57.457 56.400 -0.003 0.000 0.804 239 E CB -0.149 29.549 29.700 -0.003 0.000 0.745 239 E HN 0.477 nan 8.360 nan 0.000 0.458 240 N N 0.782 119.478 118.700 -0.005 0.000 2.309 240 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 240 N C 1.446 176.946 175.510 -0.017 0.000 1.018 240 N CA 1.056 54.098 53.050 -0.013 0.000 0.876 240 N CB -0.077 38.401 38.487 -0.015 0.000 0.972 240 N HN 0.110 nan 8.380 nan 0.000 0.434 241 A N -0.215 122.602 122.820 -0.006 0.000 2.238 241 A HA 0.408 4.728 4.320 -0.000 0.000 0.208 241 A C 1.507 179.077 177.584 -0.024 0.000 1.177 241 A CA 0.896 52.925 52.037 -0.013 0.000 0.804 241 A CB -0.191 18.814 19.000 0.008 0.000 0.823 241 A HN 0.321 nan 8.150 nan 0.000 0.482 242 G N -1.939 106.850 108.800 -0.018 0.000 2.179 242 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 242 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 242 G C 0.087 174.981 174.900 -0.010 0.000 0.990 242 G CA -0.018 45.071 45.100 -0.018 0.000 0.646 242 G HN 0.702 nan 8.290 nan 0.000 0.517 243 V N 1.562 121.474 119.914 -0.004 0.000 2.432 243 V HA 0.381 4.501 4.120 -0.000 0.000 0.271 243 V C 0.796 176.887 176.094 -0.005 0.000 1.046 243 V CA -0.166 62.133 62.300 -0.001 0.000 0.945 243 V CB 1.619 33.446 31.823 0.008 0.000 0.992 243 V HN 0.422 nan 8.190 nan 0.000 0.471 244 E N 4.769 124.963 120.200 -0.008 0.000 2.129 244 E HA 0.234 4.584 4.350 -0.000 0.000 0.283 244 E C -0.926 175.667 176.600 -0.012 0.000 1.080 244 E CA -0.459 55.935 56.400 -0.009 0.000 0.867 244 E CB 1.007 30.701 29.700 -0.010 0.000 1.056 244 E HN 0.527 nan 8.360 nan 0.000 0.404 245 V N 7.167 127.074 119.914 -0.011 0.000 2.368 245 V HA 0.135 4.255 4.120 -0.000 0.000 0.266 245 V C 0.268 176.354 176.094 -0.013 0.000 1.045 245 V CA -0.398 61.892 62.300 -0.017 0.000 0.899 245 V CB 0.625 32.436 31.823 -0.020 0.000 1.006 245 V HN 0.638 nan 8.190 nan 0.000 0.470 246 L N 6.441 127.654 121.223 -0.017 0.000 2.270 246 L HA 0.414 4.754 4.340 -0.000 0.000 0.286 246 L C 0.435 177.296 176.870 -0.015 0.000 1.059 246 L CA -0.275 54.562 54.840 -0.005 0.000 0.839 246 L CB 0.258 42.313 42.059 -0.007 0.000 1.221 246 L HN 0.563 nan 8.230 nan 0.000 0.431 247 K N 3.039 123.437 120.400 -0.003 0.000 2.185 247 K HA 0.352 4.672 4.320 -0.000 0.000 0.271 247 K C -0.114 176.513 176.600 0.046 0.000 1.013 247 K CA -0.699 55.551 56.287 -0.061 0.000 0.943 247 K CB 0.545 33.023 32.500 -0.035 0.000 0.998 247 K HN 0.255 nan 8.250 nan 0.000 0.468 248 F N -0.125 119.810 119.950 -0.025 0.000 3.048 248 F HA -0.276 4.251 4.527 0.000 0.000 0.269 248 F C -0.278 175.493 175.800 -0.048 0.000 0.960 248 F CA 0.444 58.405 58.000 -0.065 0.000 0.909 248 F CB -1.898 37.072 39.000 -0.049 0.000 0.837 248 F HN 0.282 nan 8.300 nan 0.000 0.768 249 S N -0.308 115.425 115.700 0.054 0.000 2.542 249 S HA 0.804 5.274 4.470 -0.000 0.000 0.293 249 S C -0.319 174.302 174.600 0.035 0.000 1.089 249 S CA -0.924 57.304 58.200 0.048 0.000 0.961 249 S CB 2.950 66.171 63.200 0.035 0.000 1.062 249 S HN 0.285 nan 8.310 nan 0.000 0.483 250 Q N 0.862 120.690 119.800 0.048 0.000 2.389 250 Q HA 0.535 4.875 4.340 -0.000 0.000 0.277 250 Q C -1.353 174.697 176.000 0.083 0.000 1.082 250 Q CA -0.886 54.958 55.803 0.069 0.000 0.810 250 Q CB 2.227 31.001 28.738 0.060 0.000 1.374 250 Q HN 0.443 nan 8.270 nan 0.000 0.422 251 V N 2.359 122.355 119.914 0.137 0.000 2.530 251 V HA 0.079 4.199 4.120 -0.000 0.000 0.282 251 V C 0.858 177.037 176.094 0.141 0.000 1.048 251 V CA 0.354 62.746 62.300 0.153 0.000 0.997 251 V CB 1.265 33.256 31.823 0.281 0.000 0.987 251 V HN 0.770 nan 8.190 nan 0.000 0.477 252 K N 3.153 123.613 120.400 0.101 0.000 2.287 252 K HA 0.269 4.589 4.320 -0.000 0.000 0.199 252 K C 0.561 177.211 176.600 0.083 0.000 1.061 252 K CA 0.377 56.711 56.287 0.078 0.000 0.976 252 K CB 0.660 33.191 32.500 0.052 0.000 0.898 252 K HN 0.806 nan 8.250 nan 0.000 0.492 253 E N -0.149 120.104 120.200 0.088 0.000 2.401 253 E HA 0.274 4.624 4.350 -0.000 0.000 0.280 253 E C -1.918 174.732 176.600 0.085 0.000 1.039 253 E CA -0.866 55.585 56.400 0.085 0.000 0.814 253 E CB 2.357 32.090 29.700 0.055 0.000 1.275 253 E HN -0.081 nan 8.360 nan 0.000 0.448 254 V N 2.493 122.461 119.914 0.089 0.000 2.638 254 V HA 0.576 4.696 4.120 -0.000 0.000 0.306 254 V C -0.645 175.478 176.094 0.049 0.000 1.052 254 V CA -0.770 61.570 62.300 0.067 0.000 0.885 254 V CB 1.843 33.726 31.823 0.100 0.000 0.999 254 V HN 0.608 nan 8.190 nan 0.000 0.424 255 K N 2.530 122.946 120.400 0.027 0.000 2.498 255 K HA 0.621 4.941 4.320 -0.000 0.000 0.254 255 K C -1.036 175.570 176.600 0.009 0.000 0.933 255 K CA -0.976 55.323 56.287 0.020 0.000 0.806 255 K CB 2.350 34.860 32.500 0.017 0.000 1.301 255 K HN 0.549 nan 8.250 nan 0.000 0.432 256 K N 1.689 122.094 120.400 0.008 0.000 2.298 256 K HA 0.193 4.513 4.320 -0.000 0.000 0.280 256 K C -0.619 175.980 176.600 -0.002 0.000 1.032 256 K CA 0.214 56.502 56.287 0.001 0.000 0.958 256 K CB 0.903 33.405 32.500 0.003 0.000 0.978 256 K HN 0.724 nan 8.250 nan 0.000 0.472 257 T N 0.161 114.711 114.554 -0.007 0.000 2.773 257 T HA 0.343 4.693 4.350 -0.000 0.000 0.278 257 T C 1.250 175.944 174.700 -0.010 0.000 1.011 257 T CA -0.913 61.182 62.100 -0.008 0.000 1.014 257 T CB 0.392 69.254 68.868 -0.010 0.000 1.293 257 T HN 0.393 nan 8.240 nan 0.000 0.554 258 L N 0.819 122.037 121.223 -0.010 0.000 2.141 258 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 258 L C 2.824 179.685 176.870 -0.014 0.000 1.094 258 L CA 1.567 56.401 54.840 -0.011 0.000 0.763 258 L CB -0.491 41.563 42.059 -0.009 0.000 0.908 258 L HN 0.906 nan 8.230 nan 0.000 0.437 259 S N -2.023 113.668 115.700 -0.016 0.000 2.492 259 S HA 0.357 4.827 4.470 -0.000 0.000 0.218 259 S C 0.986 175.570 174.600 -0.026 0.000 1.016 259 S CA 0.211 58.398 58.200 -0.020 0.000 0.916 259 S CB 1.009 64.197 63.200 -0.020 0.000 0.791 259 S HN 0.448 nan 8.310 nan 0.000 0.513 260 G N 0.972 109.757 108.800 -0.025 0.000 2.401 260 G HA2 0.280 4.240 3.960 -0.000 0.000 0.068 260 G HA3 0.280 4.240 3.960 -0.000 0.000 0.068 260 G C -1.642 173.241 174.900 -0.027 0.000 0.911 260 G CA -0.527 44.555 45.100 -0.031 0.000 1.242 260 G HN 0.314 nan 8.290 nan 0.000 0.504 261 L N 0.853 122.057 121.223 -0.033 0.000 2.354 261 L HA 0.729 5.069 4.340 -0.000 0.000 0.264 261 L C -0.663 176.190 176.870 -0.029 0.000 1.008 261 L CA -0.751 54.071 54.840 -0.029 0.000 0.819 261 L CB 2.484 44.518 42.059 -0.041 0.000 1.339 261 L HN 0.638 nan 8.230 nan 0.000 0.420 262 E N 1.551 121.739 120.200 -0.019 0.000 2.165 262 E HA 0.488 4.838 4.350 -0.000 0.000 0.266 262 E C -1.742 174.850 176.600 -0.015 0.000 0.889 262 E CA -0.628 55.762 56.400 -0.016 0.000 0.756 262 E CB 2.082 31.778 29.700 -0.007 0.000 1.131 262 E HN 0.334 nan 8.360 nan 0.000 0.411 263 V N 3.878 123.777 119.914 -0.024 0.000 2.347 263 V HA 0.227 4.347 4.120 -0.000 0.000 0.280 263 V C -0.147 175.944 176.094 -0.005 0.000 1.021 263 V CA -0.648 61.638 62.300 -0.023 0.000 0.847 263 V CB 1.423 33.211 31.823 -0.060 0.000 0.990 263 V HN 0.654 nan 8.190 nan 0.000 0.444 264 S N 6.799 122.508 115.700 0.015 0.000 2.465 264 S HA 0.578 5.048 4.470 -0.000 0.000 0.279 264 S C -0.282 174.335 174.600 0.028 0.000 1.201 264 S CA -0.287 57.926 58.200 0.021 0.000 1.053 264 S CB 0.529 63.746 63.200 0.028 0.000 0.953 264 S HN 0.777 nan 8.310 nan 0.000 0.488 265 M N 4.445 124.058 119.600 0.021 0.000 2.465 265 M HA 0.607 5.087 4.480 -0.000 0.000 0.316 265 M C -1.882 174.434 176.300 0.027 0.000 1.121 265 M CA -0.676 54.639 55.300 0.026 0.000 0.934 265 M CB 1.403 34.011 32.600 0.015 0.000 1.692 265 M HN 0.332 nan 8.290 nan 0.000 0.444 266 V N 3.254 123.188 119.914 0.034 0.000 2.448 266 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 266 V C -0.396 175.721 176.094 0.039 0.000 1.025 266 V CA -0.465 61.854 62.300 0.031 0.000 0.859 266 V CB 1.869 33.711 31.823 0.030 0.000 0.988 266 V HN 0.930 nan 8.190 nan 0.000 0.431 267 T N 4.338 118.915 114.554 0.038 0.000 2.770 267 T HA 0.645 4.995 4.350 -0.000 0.000 0.283 267 T C 0.058 174.782 174.700 0.041 0.000 0.988 267 T CA -0.241 61.893 62.100 0.057 0.000 0.957 267 T CB 1.413 70.314 68.868 0.055 0.000 0.930 267 T HN 0.844 nan 8.240 nan 0.000 0.443 268 A N 3.820 126.672 122.820 0.054 0.000 2.978 268 A HA 0.603 4.923 4.320 -0.000 0.000 0.341 268 A C -0.011 177.498 177.584 -0.126 0.000 1.105 268 A CA -0.540 51.488 52.037 -0.016 0.000 0.819 268 A CB 0.165 19.158 19.000 -0.011 0.000 1.080 268 A HN 0.671 nan 8.150 nan 0.000 0.476 269 V N 4.035 123.845 119.914 -0.175 0.000 2.614 269 V HA 0.222 4.342 4.120 -0.000 0.000 0.291 269 V C -1.702 174.123 176.094 -0.448 0.000 1.049 269 V CA -1.169 60.860 62.300 -0.452 0.000 1.038 269 V CB 1.026 32.734 31.823 -0.191 0.000 0.980 269 V HN 0.742 nan 8.190 nan 0.000 0.481 270 P HA 0.135 nan 4.420 nan 0.000 0.265 270 P C 0.800 177.974 177.300 -0.210 0.000 1.193 270 P CA 1.077 63.964 63.100 -0.356 0.000 0.765 270 P CB 0.867 32.354 31.700 -0.355 0.000 0.823 271 G N 2.512 111.232 108.800 -0.133 0.000 2.176 271 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 271 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 271 G C 0.254 175.110 174.900 -0.073 0.000 0.979 271 G CA -0.115 44.934 45.100 -0.085 0.000 0.641 271 G HN 0.648 nan 8.290 nan 0.000 0.530 272 R N -1.118 119.328 120.500 -0.090 0.000 2.950 272 R HA 0.804 5.144 4.340 -0.000 0.000 0.253 272 R C -0.181 176.084 176.300 -0.058 0.000 1.168 272 R CA -1.021 55.040 56.100 -0.065 0.000 1.014 272 R CB 1.074 31.335 30.300 -0.064 0.000 1.228 272 R HN 0.117 nan 8.270 nan 0.000 0.487 273 L N 1.678 122.878 121.223 -0.039 0.000 2.360 273 L HA 0.451 4.791 4.340 -0.000 0.000 0.271 273 L C -2.019 174.836 176.870 -0.026 0.000 1.057 273 L CA -2.052 52.770 54.840 -0.030 0.000 0.803 273 L CB 1.140 43.187 42.059 -0.020 0.000 1.207 273 L HN 0.262 nan 8.230 nan 0.000 0.445 274 P HA 0.130 nan 4.420 nan 0.000 0.269 274 P C -1.204 176.094 177.300 -0.003 0.000 1.209 274 P CA -0.096 62.998 63.100 -0.011 0.000 0.776 274 P CB 1.006 32.702 31.700 -0.007 0.000 0.876 275 V N 3.877 123.794 119.914 0.004 0.000 2.808 275 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 275 V C -1.063 175.038 176.094 0.012 0.000 1.099 275 V CA -0.914 61.389 62.300 0.006 0.000 0.920 275 V CB 1.959 33.786 31.823 0.006 0.000 1.014 275 V HN 0.502 nan 8.190 nan 0.000 0.425 276 M N 5.074 124.680 119.600 0.010 0.000 2.300 276 M HA 0.640 5.120 4.480 -0.000 0.000 0.348 276 M C -0.743 175.563 176.300 0.011 0.000 1.151 276 M CA 0.091 55.398 55.300 0.013 0.000 1.046 276 M CB 1.611 34.218 32.600 0.012 0.000 1.647 276 M HN 0.786 nan 8.290 nan 0.000 0.451 277 T N 4.837 119.398 114.554 0.011 0.000 2.876 277 T HA 0.536 4.886 4.350 -0.000 0.000 0.289 277 T C -1.118 173.585 174.700 0.005 0.000 1.014 277 T CA -0.606 61.498 62.100 0.007 0.000 0.986 277 T CB 1.598 70.470 68.868 0.007 0.000 1.021 277 T HN 0.668 nan 8.240 nan 0.000 0.458 278 M N 3.397 122.998 119.600 0.002 0.000 2.066 278 M HA 0.511 4.991 4.480 -0.000 0.000 0.340 278 M C -1.120 175.176 176.300 -0.007 0.000 1.053 278 M CA -0.684 54.616 55.300 -0.001 0.000 0.983 278 M CB 0.148 32.749 32.600 0.000 0.000 1.520 278 M HN 0.501 nan 8.290 nan 0.000 0.428 279 I N 8.176 128.739 120.570 -0.012 0.000 2.301 279 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 279 I C -2.013 174.090 176.117 -0.022 0.000 1.046 279 I CA -1.545 59.743 61.300 -0.019 0.000 1.282 279 I CB 0.517 38.500 38.000 -0.029 0.000 1.409 279 I HN 0.458 nan 8.210 nan 0.000 0.484 280 P HA 0.209 nan 4.420 nan 0.000 0.284 280 P C -0.734 176.552 177.300 -0.024 0.000 1.287 280 P CA -0.211 62.877 63.100 -0.019 0.000 0.824 280 P CB 0.801 32.492 31.700 -0.014 0.000 1.180 281 D N -2.303 118.082 120.400 -0.024 0.000 2.701 281 D HA -0.109 4.531 4.640 -0.000 0.000 0.235 281 D C -0.263 176.016 176.300 -0.036 0.000 1.155 281 D CA 0.624 54.607 54.000 -0.027 0.000 0.649 281 D CB -2.036 38.751 40.800 -0.023 0.000 1.050 281 D HN 0.065 nan 8.370 nan 0.000 0.425 282 V N 1.041 120.929 119.914 -0.043 0.000 2.461 282 V HA 0.063 4.183 4.120 -0.000 0.000 0.275 282 V C 1.453 177.510 176.094 -0.062 0.000 1.047 282 V CA -0.157 62.109 62.300 -0.057 0.000 0.955 282 V CB 1.759 33.539 31.823 -0.071 0.000 0.988 282 V HN 0.027 nan 8.190 nan 0.000 0.471 283 D N 1.916 122.275 120.400 -0.068 0.000 2.277 283 D HA 0.057 4.697 4.640 -0.000 0.000 0.209 283 D C 0.507 176.753 176.300 -0.090 0.000 0.970 283 D CA 0.814 54.768 54.000 -0.076 0.000 0.874 283 D CB 0.673 41.423 40.800 -0.083 0.000 0.982 283 D HN 0.551 nan 8.370 nan 0.000 0.504 284 C N 1.651 120.894 119.300 -0.097 0.000 2.446 284 C HA 0.587 5.046 4.460 -0.000 0.000 0.329 284 C C -1.255 173.655 174.990 -0.132 0.000 1.166 284 C CA -0.920 58.035 59.018 -0.105 0.000 1.341 284 C CB -0.108 27.572 27.740 -0.100 0.000 1.970 284 C HN 0.136 nan 8.230 nan 0.000 0.452 285 L N 7.156 128.275 121.223 -0.174 0.000 2.294 285 L HA 0.682 5.022 4.340 -0.000 0.000 0.283 285 L C -0.932 175.724 176.870 -0.356 0.000 1.015 285 L CA -0.118 54.539 54.840 -0.304 0.000 0.831 285 L CB 1.090 42.929 42.059 -0.368 0.000 1.217 285 L HN 0.793 nan 8.230 nan 0.000 0.420 286 L N 5.443 126.468 121.223 -0.331 0.000 2.305 286 L HA 0.507 4.847 4.340 -0.000 0.000 0.284 286 L C -1.277 175.445 176.870 -0.247 0.000 1.013 286 L CA -0.420 54.287 54.840 -0.223 0.000 0.819 286 L CB 0.878 42.880 42.059 -0.095 0.000 1.227 286 L HN 0.675 nan 8.230 nan 0.000 0.417 287 W N 4.901 126.187 121.300 -0.024 0.000 2.335 287 W HA 0.545 5.205 4.660 -0.000 0.000 0.306 287 W C 0.292 176.785 176.519 -0.043 0.000 1.216 287 W CA -0.611 56.715 57.345 -0.031 0.000 1.237 287 W CB 1.384 30.827 29.460 -0.028 0.000 1.243 287 W HN 0.574 nan 8.180 nan 0.000 0.493 288 A N 5.179 128.109 122.820 0.183 0.000 3.355 288 A HA 0.302 4.622 4.320 -0.000 0.000 0.290 288 A C 0.226 177.854 177.584 0.074 0.000 0.973 288 A CA -0.457 51.619 52.037 0.066 0.000 0.933 288 A CB -0.670 18.314 19.000 -0.027 0.000 1.138 288 A HN 0.781 nan 8.150 nan 0.000 0.490 289 I N -2.927 117.707 120.570 0.107 0.000 3.904 289 I HA 0.612 4.782 4.170 -0.000 0.000 0.333 289 I C 0.563 176.706 176.117 0.043 0.000 1.361 289 I CA 0.165 61.512 61.300 0.078 0.000 1.116 289 I CB 0.203 38.252 38.000 0.080 0.000 1.028 289 I HN 0.483 nan 8.210 nan 0.000 0.398 290 G N 1.309 110.131 108.800 0.037 0.000 2.351 290 G HA2 0.123 4.083 3.960 -0.000 0.000 0.353 290 G HA3 0.123 4.083 3.960 -0.000 0.000 0.353 290 G C -1.471 173.452 174.900 0.039 0.000 1.358 290 G CA -1.086 44.040 45.100 0.042 0.000 0.995 290 G HN 0.162 nan 8.290 nan 0.000 0.611 291 R N -1.079 119.458 120.500 0.062 0.000 2.740 291 R HA 0.784 5.124 4.340 -0.000 0.000 0.282 291 R C -0.907 175.433 176.300 0.068 0.000 0.969 291 R CA -0.815 55.325 56.100 0.066 0.000 0.918 291 R CB 2.056 32.413 30.300 0.094 0.000 1.175 291 R HN 1.042 nan 8.270 nan 0.000 0.464 292 V N 3.571 123.507 119.914 0.036 0.000 2.604 292 V HA 0.529 4.649 4.120 -0.000 0.000 0.305 292 V C -2.224 173.874 176.094 0.007 0.000 1.043 292 V CA -2.512 59.782 62.300 -0.009 0.000 0.888 292 V CB 2.376 34.177 31.823 -0.036 0.000 0.995 292 V HN 0.602 nan 8.190 nan 0.000 0.429 293 P HA 0.190 nan 4.420 nan 0.000 0.274 293 P C -0.997 176.317 177.300 0.023 0.000 1.231 293 P CA -0.292 62.823 63.100 0.025 0.000 0.790 293 P CB 0.571 32.281 31.700 0.016 0.000 0.951 294 N N 1.585 120.319 118.700 0.057 0.000 2.868 294 N HA 0.114 4.854 4.740 -0.000 0.000 0.252 294 N C 0.856 176.409 175.510 0.073 0.000 1.130 294 N CA 0.109 53.199 53.050 0.066 0.000 1.026 294 N CB 0.060 38.595 38.487 0.080 0.000 1.335 294 N HN 0.512 nan 8.380 nan 0.000 0.516 295 T N -3.027 111.565 114.554 0.064 0.000 2.993 295 T HA 0.075 4.425 4.350 -0.000 0.000 0.260 295 T C 1.521 176.270 174.700 0.082 0.000 0.939 295 T CA -0.257 61.890 62.100 0.078 0.000 0.886 295 T CB 0.494 69.401 68.868 0.066 0.000 1.209 295 T HN 0.208 nan 8.240 nan 0.000 0.518 296 K N 1.907 122.346 120.400 0.064 0.000 2.077 296 K HA -0.190 4.130 4.320 -0.000 0.000 0.213 296 K C 0.361 177.010 176.600 0.080 0.000 1.051 296 K CA 2.185 58.507 56.287 0.059 0.000 0.929 296 K CB -0.230 32.295 32.500 0.043 0.000 0.715 296 K HN 0.321 nan 8.250 nan 0.000 0.451 297 D N 0.384 120.854 120.400 0.116 0.000 2.738 297 D HA 0.066 4.706 4.640 -0.000 0.000 0.246 297 D C 0.139 176.578 176.300 0.231 0.000 1.270 297 D CA 0.005 54.098 54.000 0.155 0.000 0.833 297 D CB 0.689 41.554 40.800 0.107 0.000 1.040 297 D HN 0.136 nan 8.370 nan 0.000 0.487 298 L N -0.177 121.147 121.223 0.167 0.000 2.640 298 L HA 0.084 4.424 4.340 -0.000 0.000 0.230 298 L C 0.777 177.792 176.870 0.241 0.000 1.123 298 L CA 0.189 55.121 54.840 0.153 0.000 0.900 298 L CB -0.219 41.949 42.059 0.181 0.000 1.146 298 L HN -0.120 nan 8.230 nan 0.000 0.484 299 S N -0.164 115.648 115.700 0.187 0.000 3.706 299 S HA -0.187 4.283 4.470 -0.000 0.000 0.363 299 S C 1.383 176.094 174.600 0.184 0.000 0.999 299 S CA 0.464 58.764 58.200 0.167 0.000 1.143 299 S CB -1.814 61.487 63.200 0.168 0.000 0.902 299 S HN 0.369 nan 8.310 nan 0.000 0.476 300 L N 0.482 121.795 121.223 0.151 0.000 2.191 300 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 300 L C 2.325 179.185 176.870 -0.016 0.000 1.103 300 L CA 1.930 56.801 54.840 0.053 0.000 0.769 300 L CB -0.670 41.419 42.059 0.049 0.000 0.908 300 L HN 0.695 nan 8.230 nan 0.000 0.438 301 N N 0.350 119.060 118.700 0.017 0.000 2.223 301 N HA -0.217 4.523 4.740 -0.000 0.000 0.185 301 N C 1.510 177.015 175.510 -0.007 0.000 1.016 301 N CA 1.095 54.145 53.050 0.000 0.000 0.863 301 N CB -0.431 38.064 38.487 0.014 0.000 0.983 301 N HN 0.231 nan 8.380 nan 0.000 0.429 302 K N -0.541 119.867 120.400 0.013 0.000 2.360 302 K HA 0.020 4.340 4.320 -0.000 0.000 0.201 302 K C 0.483 177.067 176.600 -0.026 0.000 1.046 302 K CA 0.658 56.953 56.287 0.014 0.000 0.940 302 K CB 0.086 32.622 32.500 0.060 0.000 0.748 302 K HN 0.258 nan 8.250 nan 0.000 0.465 303 L N -1.441 119.732 121.223 -0.083 0.000 2.966 303 L HA 0.194 4.534 4.340 -0.000 0.000 0.262 303 L C 0.906 177.704 176.870 -0.120 0.000 1.165 303 L CA 0.616 55.375 54.840 -0.134 0.000 0.978 303 L CB 0.278 42.168 42.059 -0.281 0.000 1.337 303 L HN 0.331 nan 8.230 nan 0.000 0.563 304 G N 1.730 110.476 108.800 -0.089 0.000 2.160 304 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.244 304 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.244 304 G C 0.342 175.192 174.900 -0.082 0.000 1.022 304 G CA -0.005 45.054 45.100 -0.068 0.000 0.741 304 G HN 0.325 nan 8.290 nan 0.000 0.508 305 I N 0.694 121.196 120.570 -0.113 0.000 2.517 305 I HA 0.109 4.279 4.170 -0.000 0.000 0.285 305 I C 1.136 177.223 176.117 -0.051 0.000 1.106 305 I CA 0.044 61.277 61.300 -0.111 0.000 1.402 305 I CB 0.856 38.756 38.000 -0.166 0.000 1.399 305 I HN 0.277 nan 8.210 nan 0.000 0.535 306 Q N 5.292 125.071 119.800 -0.036 0.000 2.332 306 Q HA 0.258 4.598 4.340 -0.000 0.000 0.263 306 Q C -0.281 175.724 176.000 0.009 0.000 0.979 306 Q CA 0.017 55.813 55.803 -0.011 0.000 0.885 306 Q CB 0.941 29.674 28.738 -0.010 0.000 1.218 306 Q HN 0.805 nan 8.270 nan 0.000 0.405 307 T N -0.364 114.200 114.554 0.018 0.000 2.864 307 T HA 0.414 4.764 4.350 -0.000 0.000 0.299 307 T C -0.870 173.852 174.700 0.036 0.000 1.166 307 T CA -1.040 61.082 62.100 0.036 0.000 1.007 307 T CB 1.384 70.271 68.868 0.032 0.000 1.219 307 T HN 0.627 nan 8.240 nan 0.000 0.506 308 D N -0.400 120.035 120.400 0.057 0.000 2.506 308 D HA 0.256 4.896 4.640 -0.000 0.000 0.272 308 D C 0.583 176.900 176.300 0.028 0.000 1.214 308 D CA -0.508 53.524 54.000 0.054 0.000 1.067 308 D CB 0.018 40.876 40.800 0.097 0.000 1.117 308 D HN 0.672 nan 8.370 nan 0.000 0.578 309 D N -1.694 118.721 120.400 0.026 0.000 2.371 309 D HA -0.068 4.572 4.640 -0.000 0.000 0.234 309 D C 0.805 177.098 176.300 -0.012 0.000 1.049 309 D CA 0.447 54.452 54.000 0.008 0.000 0.907 309 D CB 0.057 40.865 40.800 0.013 0.000 0.891 309 D HN 0.108 nan 8.370 nan 0.000 0.531 310 K N -0.723 119.655 120.400 -0.037 0.000 2.380 310 K HA 0.281 4.601 4.320 -0.000 0.000 0.198 310 K C 1.449 177.897 176.600 -0.254 0.000 1.070 310 K CA 0.607 56.811 56.287 -0.138 0.000 1.040 310 K CB 1.151 33.555 32.500 -0.159 0.000 0.903 310 K HN 0.297 nan 8.250 nan 0.000 0.549 311 G N 1.487 110.186 108.800 -0.167 0.000 2.179 311 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 311 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 311 G C -0.317 174.522 174.900 -0.102 0.000 0.990 311 G CA -0.167 44.857 45.100 -0.127 0.000 0.646 311 G HN 0.454 nan 8.290 nan 0.000 0.517 312 H N 0.107 119.194 119.070 0.028 0.000 2.732 312 H HA 0.501 5.057 4.556 -0.000 0.000 0.351 312 H C 1.077 176.421 175.328 0.027 0.000 1.090 312 H CA -0.084 55.981 56.048 0.029 0.000 1.431 312 H CB 0.863 30.637 29.762 0.020 0.000 1.447 312 H HN 0.265 nan 8.280 nan 0.000 0.582 313 I N 4.159 124.828 120.570 0.165 0.000 2.496 313 I HA -0.018 4.152 4.170 -0.000 0.000 0.285 313 I C 0.078 176.243 176.117 0.081 0.000 1.080 313 I CA -0.185 61.176 61.300 0.102 0.000 1.404 313 I CB 0.475 38.534 38.000 0.098 0.000 1.403 313 I HN 0.381 nan 8.210 nan 0.000 0.539 314 I N 7.439 128.041 120.570 0.053 0.000 2.441 314 I HA 0.262 4.432 4.170 -0.000 0.000 0.287 314 I C 0.285 176.418 176.117 0.027 0.000 1.049 314 I CA -0.036 61.283 61.300 0.030 0.000 1.381 314 I CB 0.940 38.952 38.000 0.019 0.000 1.409 314 I HN 0.308 nan 8.210 nan 0.000 0.523 315 V N 2.750 122.675 119.914 0.018 0.000 3.130 315 V HA 0.700 4.820 4.120 -0.000 0.000 0.310 315 V C -0.683 175.423 176.094 0.020 0.000 1.158 315 V CA -0.981 61.341 62.300 0.037 0.000 1.029 315 V CB 2.148 34.008 31.823 0.063 0.000 1.057 315 V HN 0.715 nan 8.190 nan 0.000 0.436 316 D N 0.298 120.733 120.400 0.058 0.000 2.539 316 D HA 0.226 4.866 4.640 -0.000 0.000 0.276 316 D C 0.994 177.304 176.300 0.016 0.000 1.206 316 D CA 0.082 54.111 54.000 0.050 0.000 1.081 316 D CB 0.472 41.342 40.800 0.116 0.000 1.142 316 D HN 0.859 nan 8.370 nan 0.000 0.595 317 E N -0.999 119.172 120.200 -0.047 0.000 2.333 317 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 317 E C 0.635 177.056 176.600 -0.297 0.000 1.007 317 E CA 0.816 57.090 56.400 -0.210 0.000 0.845 317 E CB -0.525 28.968 29.700 -0.345 0.000 0.766 317 E HN 0.365 nan 8.360 nan 0.000 0.507 318 F N 1.036 121.034 119.950 0.079 0.000 2.641 318 F HA 0.220 4.747 4.527 -0.000 0.000 0.302 318 F C 0.303 176.179 175.800 0.127 0.000 1.098 318 F CA -0.275 57.780 58.000 0.092 0.000 1.318 318 F CB 0.557 39.605 39.000 0.080 0.000 1.035 318 F HN -0.163 nan 8.300 nan 0.000 0.551 319 Q N -0.915 119.026 119.800 0.235 0.000 2.460 319 Q HA -0.225 4.115 4.340 -0.000 0.000 0.248 319 Q C -0.798 175.389 176.000 0.312 0.000 0.847 319 Q CA 0.455 56.398 55.803 0.234 0.000 1.214 319 Q CB -2.392 26.484 28.738 0.230 0.000 1.523 319 Q HN 0.396 nan 8.270 nan 0.000 0.602 320 N N 1.754 120.634 118.700 0.301 0.000 2.520 320 N HA 0.191 4.931 4.740 -0.000 0.000 0.273 320 N C 0.849 176.415 175.510 0.093 0.000 1.155 320 N CA 0.721 53.908 53.050 0.229 0.000 0.967 320 N CB 1.044 39.643 38.487 0.187 0.000 1.092 320 N HN 0.366 nan 8.380 nan 0.000 0.457 321 T N -1.346 113.205 114.554 -0.004 0.000 2.793 321 T HA 0.099 4.449 4.350 -0.000 0.000 0.299 321 T C 1.243 175.918 174.700 -0.040 0.000 1.038 321 T CA -0.601 61.486 62.100 -0.022 0.000 0.948 321 T CB 0.328 69.156 68.868 -0.067 0.000 1.231 321 T HN 0.546 nan 8.240 nan 0.000 0.538 322 N N -0.431 118.240 118.700 -0.047 0.000 2.449 322 N HA 0.038 4.778 4.740 -0.000 0.000 0.191 322 N C -0.398 175.070 175.510 -0.070 0.000 1.161 322 N CA -0.150 52.873 53.050 -0.044 0.000 0.863 322 N CB -0.157 38.309 38.487 -0.034 0.000 0.980 322 N HN 0.368 nan 8.380 nan 0.000 0.458 323 V N 1.299 121.147 119.914 -0.110 0.000 2.487 323 V HA 0.205 4.325 4.120 -0.000 0.000 0.298 323 V C 0.096 176.093 176.094 -0.163 0.000 1.028 323 V CA -1.175 61.046 62.300 -0.132 0.000 0.860 323 V CB 1.909 33.629 31.823 -0.172 0.000 0.991 323 V HN 0.008 nan 8.190 nan 0.000 0.427 324 K N 2.804 123.131 120.400 -0.120 0.000 2.489 324 K HA 0.238 4.558 4.320 -0.000 0.000 0.278 324 K C 1.331 177.837 176.600 -0.157 0.000 1.000 324 K CA 1.039 57.256 56.287 -0.117 0.000 1.012 324 K CB 0.204 32.670 32.500 -0.058 0.000 0.903 324 K HN 1.250 nan 8.250 nan 0.000 0.485 325 G N 1.997 110.674 108.800 -0.206 0.000 2.179 325 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 325 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 325 G C 0.131 174.829 174.900 -0.337 0.000 0.977 325 G CA 0.017 45.025 45.100 -0.154 0.000 0.641 325 G HN 0.524 nan 8.290 nan 0.000 0.533 326 I N 0.157 120.353 120.570 -0.623 0.000 2.498 326 I HA 0.628 4.798 4.170 -0.000 0.000 0.290 326 I C -0.196 175.524 176.117 -0.661 0.000 1.032 326 I CA -1.252 59.776 61.300 -0.453 0.000 1.073 326 I CB 1.559 39.420 38.000 -0.232 0.000 1.251 326 I HN 0.042 nan 8.210 nan 0.000 0.426 327 Y N 3.820 124.211 120.300 0.150 0.000 2.662 327 Y HA 0.888 5.438 4.550 -0.000 0.000 0.335 327 Y C 0.003 175.982 175.900 0.131 0.000 1.066 327 Y CA -1.284 56.899 58.100 0.139 0.000 1.116 327 Y CB 1.638 40.199 38.460 0.168 0.000 1.308 327 Y HN 0.553 nan 8.280 nan 0.000 0.502 328 A N 0.541 123.534 122.820 0.288 0.000 2.547 328 A HA 0.819 5.139 4.320 -0.000 0.000 0.297 328 A C -1.487 176.203 177.584 0.177 0.000 1.056 328 A CA -0.438 51.718 52.037 0.198 0.000 0.688 328 A CB 1.207 20.295 19.000 0.148 0.000 1.282 328 A HN 1.290 nan 8.150 nan 0.000 0.400 329 V N -0.841 119.162 119.914 0.148 0.000 3.181 329 V HA 1.015 5.135 4.120 -0.000 0.000 0.308 329 V C 0.445 176.606 176.094 0.112 0.000 1.214 329 V CA 0.222 62.604 62.300 0.136 0.000 1.053 329 V CB 0.932 32.834 31.823 0.132 0.000 1.069 329 V HN 2.995 nan 8.190 nan 0.000 0.441 330 G N 1.588 110.455 108.800 0.112 0.000 2.632 330 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.224 330 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.224 330 G C -0.025 174.930 174.900 0.092 0.000 1.341 330 G CA 0.609 45.765 45.100 0.093 0.000 0.880 330 G HN 1.142 nan 8.290 nan 0.000 0.566 331 D N -0.774 119.679 120.400 0.088 0.000 2.228 331 D HA -0.059 4.581 4.640 -0.000 0.000 0.203 331 D C 2.470 178.847 176.300 0.130 0.000 0.988 331 D CA 1.372 55.431 54.000 0.099 0.000 0.864 331 D CB -0.171 40.689 40.800 0.101 0.000 0.928 331 D HN 0.532 nan 8.370 nan 0.000 0.469 332 V N -0.200 119.790 119.914 0.127 0.000 2.720 332 V HA -0.228 3.892 4.120 -0.000 0.000 0.256 332 V C 1.765 177.974 176.094 0.191 0.000 1.082 332 V CA 1.339 63.734 62.300 0.157 0.000 1.101 332 V CB -0.199 31.697 31.823 0.121 0.000 0.693 332 V HN 0.336 nan 8.190 nan 0.000 0.479 333 C N 0.331 119.700 119.300 0.114 0.000 2.696 333 C HA 0.440 4.900 4.460 -0.000 0.000 0.264 333 C C 2.009 176.917 174.990 -0.137 0.000 1.288 333 C CA 0.129 59.174 59.018 0.046 0.000 1.717 333 C CB -0.927 26.830 27.740 0.027 0.000 1.893 333 C HN 0.833 nan 8.230 nan 0.000 0.577 334 G N 1.305 109.998 108.800 -0.179 0.000 2.155 334 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.257 334 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.257 334 G C -0.103 174.635 174.900 -0.270 0.000 0.983 334 G CA 0.846 45.655 45.100 -0.484 0.000 0.676 334 G HN 0.548 nan 8.290 nan 0.000 0.528 335 K N 0.106 120.425 120.400 -0.135 0.000 2.376 335 K HA 0.742 5.062 4.320 -0.000 0.000 0.257 335 K C 0.427 177.046 176.600 0.033 0.000 0.939 335 K CA 0.303 56.536 56.287 -0.090 0.000 0.809 335 K CB 1.111 33.501 32.500 -0.183 0.000 1.121 335 K HN 1.827 nan 8.250 nan 0.000 0.425 336 A N 4.789 127.632 122.820 0.039 0.000 2.183 336 A HA -0.135 4.185 4.320 -0.000 0.000 0.278 336 A C -0.380 177.245 177.584 0.069 0.000 1.404 336 A CA 0.634 52.715 52.037 0.072 0.000 0.737 336 A CB -2.033 17.070 19.000 0.171 0.000 1.172 336 A HN 0.669 nan 8.150 nan 0.000 0.338 337 L N 1.521 122.779 121.223 0.059 0.000 2.382 337 L HA 0.361 4.701 4.340 -0.000 0.000 0.259 337 L C 0.226 177.142 176.870 0.077 0.000 1.291 337 L CA 0.325 55.215 54.840 0.083 0.000 1.176 337 L CB -0.663 41.467 42.059 0.118 0.000 1.373 337 L HN 0.569 nan 8.230 nan 0.000 0.426 338 L N 0.124 121.376 121.223 0.048 0.000 2.393 338 L HA 0.381 4.721 4.340 -0.000 0.000 0.260 338 L C 1.207 178.092 176.870 0.025 0.000 1.002 338 L CA -0.484 54.371 54.840 0.026 0.000 0.818 338 L CB 2.203 44.251 42.059 -0.018 0.000 1.369 338 L HN 0.076 nan 8.230 nan 0.000 0.412 339 T N 0.662 115.230 114.554 0.023 0.000 2.674 339 T HA -0.065 4.285 4.350 -0.000 0.000 0.265 339 T C -1.139 173.558 174.700 -0.004 0.000 1.039 339 T CA 1.762 63.867 62.100 0.009 0.000 1.150 339 T CB -0.534 68.336 68.868 0.002 0.000 0.864 339 T HN 0.465 nan 8.240 nan 0.000 0.427 340 P HA 0.004 nan 4.420 nan 0.000 0.220 340 P C 1.456 178.730 177.300 -0.043 0.000 1.148 340 P CA 0.522 63.608 63.100 -0.024 0.000 0.803 340 P CB -0.120 31.563 31.700 -0.027 0.000 0.782 341 V N 0.108 119.994 119.914 -0.045 0.000 2.323 341 V HA -0.196 3.924 4.120 -0.000 0.000 0.244 341 V C 2.463 178.534 176.094 -0.038 0.000 1.041 341 V CA 2.130 64.383 62.300 -0.079 0.000 1.025 341 V CB -1.685 30.109 31.823 -0.049 0.000 0.656 341 V HN 0.090 nan 8.190 nan 0.000 0.451 342 A N 0.041 122.866 122.820 0.007 0.000 1.908 342 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 342 A C 2.195 179.792 177.584 0.021 0.000 1.181 342 A CA 1.976 54.033 52.037 0.032 0.000 0.627 342 A CB -0.563 18.458 19.000 0.036 0.000 0.818 342 A HN 0.501 nan 8.150 nan 0.000 0.445 343 I N -0.414 120.159 120.570 0.005 0.000 2.179 343 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 343 I C 3.008 179.129 176.117 0.008 0.000 1.088 343 I CA 1.144 62.450 61.300 0.009 0.000 1.357 343 I CB -0.424 37.577 38.000 0.002 0.000 1.051 343 I HN 0.370 nan 8.210 nan 0.000 0.409 344 A N 0.730 123.538 122.820 -0.020 0.000 1.902 344 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 344 A C 2.536 180.106 177.584 -0.023 0.000 1.181 344 A CA 1.849 53.866 52.037 -0.033 0.000 0.623 344 A CB -0.822 18.126 19.000 -0.087 0.000 0.818 344 A HN 0.443 nan 8.150 nan 0.000 0.443 345 A N -0.484 122.319 122.820 -0.028 0.000 1.902 345 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 345 A C 2.406 180.025 177.584 0.059 0.000 1.181 345 A CA 1.942 53.992 52.037 0.021 0.000 0.623 345 A CB -1.362 17.684 19.000 0.077 0.000 0.818 345 A HN 0.716 nan 8.150 nan 0.000 0.443 346 G N -0.614 108.222 108.800 0.061 0.000 2.418 346 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 346 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 346 G C 1.788 176.729 174.900 0.068 0.000 1.158 346 G CA 0.877 46.024 45.100 0.080 0.000 0.771 346 G HN 0.565 nan 8.290 nan 0.000 0.545 347 R N 0.065 120.601 120.500 0.059 0.000 2.075 347 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 347 R C 2.594 178.963 176.300 0.116 0.000 1.126 347 R CA 0.968 57.108 56.100 0.067 0.000 0.963 347 R CB -0.142 30.213 30.300 0.091 0.000 0.858 347 R HN 0.106 nan 8.270 nan 0.000 0.435 348 K N 0.845 121.308 120.400 0.106 0.000 2.103 348 K HA -0.149 4.171 4.320 -0.000 0.000 0.207 348 K C 2.043 178.689 176.600 0.078 0.000 1.048 348 K CA 0.896 57.252 56.287 0.115 0.000 0.930 348 K CB -0.372 32.165 32.500 0.061 0.000 0.716 348 K HN 0.112 nan 8.250 nan 0.000 0.444 349 L N 0.987 122.227 121.223 0.028 0.000 2.056 349 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 349 L C 2.181 178.938 176.870 -0.189 0.000 1.078 349 L CA 1.860 56.660 54.840 -0.066 0.000 0.749 349 L CB -0.786 41.242 42.059 -0.051 0.000 0.901 349 L HN 0.119 nan 8.230 nan 0.000 0.433 350 A N -1.265 121.474 122.820 -0.134 0.000 1.908 350 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 350 A C 2.239 179.677 177.584 -0.243 0.000 1.181 350 A CA 1.838 53.764 52.037 -0.185 0.000 0.627 350 A CB -1.018 17.885 19.000 -0.161 0.000 0.818 350 A HN 0.675 nan 8.150 nan 0.000 0.445 351 H N -1.004 118.006 119.070 -0.099 0.000 2.387 351 H HA -0.088 4.468 4.556 0.000 0.000 0.299 351 H C 2.280 177.493 175.328 -0.191 0.000 1.090 351 H CA 1.739 57.722 56.048 -0.108 0.000 1.332 351 H CB -0.123 29.606 29.762 -0.055 0.000 1.386 351 H HN 0.583 nan 8.280 nan 0.000 0.516 352 R N 0.772 121.213 120.500 -0.098 0.000 2.075 352 R HA -0.055 4.285 4.340 -0.000 0.000 0.232 352 R C 2.273 178.325 176.300 -0.413 0.000 1.126 352 R CA 0.844 56.838 56.100 -0.176 0.000 0.963 352 R CB -0.046 30.188 30.300 -0.110 0.000 0.858 352 R HN 0.206 nan 8.270 nan 0.000 0.435 353 L N -0.847 119.969 121.223 -0.679 0.000 2.162 353 L HA 0.024 4.364 4.340 -0.000 0.000 0.205 353 L C 1.179 177.143 176.870 -1.509 0.000 1.086 353 L CA 0.789 54.913 54.840 -1.194 0.000 0.778 353 L CB -0.029 40.957 42.059 -1.788 0.000 0.928 353 L HN 0.170 nan 8.230 nan 0.000 0.446 354 F N -1.218 118.304 119.950 -0.713 0.000 2.682 354 F HA 0.147 4.674 4.527 0.000 0.000 0.308 354 F C 1.843 177.232 175.800 -0.684 0.000 1.093 354 F CA -0.084 57.486 58.000 -0.717 0.000 1.244 354 F CB 0.235 38.948 39.000 -0.477 0.000 1.052 354 F HN -0.025 nan 8.300 nan 0.000 0.573 355 E N -1.127 118.782 120.200 -0.485 0.000 2.601 355 E HA 0.060 4.410 4.350 -0.000 0.000 0.219 355 E C -0.259 176.291 176.600 -0.082 0.000 0.964 355 E CA 0.007 56.313 56.400 -0.156 0.000 1.050 355 E CB 0.223 29.964 29.700 0.068 0.000 1.068 355 E HN 0.244 nan 8.360 nan 0.000 0.496 356 Y N -0.102 120.171 120.300 -0.044 0.000 3.589 356 Y HA -0.292 4.258 4.550 -0.000 0.000 0.218 356 Y C 0.038 175.915 175.900 -0.038 0.000 1.234 356 Y CA 0.949 59.014 58.100 -0.060 0.000 1.576 356 Y CB -2.073 36.365 38.460 -0.036 0.000 1.487 356 Y HN 0.021 nan 8.280 nan 0.000 0.616 357 K N 2.096 122.507 120.400 0.019 0.000 2.206 357 K HA 0.132 4.452 4.320 -0.000 0.000 0.268 357 K C 1.086 177.691 176.600 0.009 0.000 1.111 357 K CA 0.244 56.551 56.287 0.033 0.000 0.955 357 K CB 0.305 32.826 32.500 0.035 0.000 1.406 357 K HN 0.574 nan 8.250 nan 0.000 0.427 358 E N 2.363 122.560 120.200 -0.004 0.000 2.267 358 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 358 E C 0.355 176.937 176.600 -0.030 0.000 0.998 358 E CA 1.331 57.685 56.400 -0.077 0.000 0.830 358 E CB 0.045 29.695 29.700 -0.082 0.000 0.751 358 E HN 0.645 nan 8.360 nan 0.000 0.491 359 D N 1.095 121.549 120.400 0.089 0.000 2.339 359 D HA -0.034 4.606 4.640 -0.000 0.000 0.217 359 D C 0.324 176.781 176.300 0.262 0.000 1.050 359 D CA -0.097 54.034 54.000 0.218 0.000 0.856 359 D CB 0.136 41.013 40.800 0.128 0.000 0.922 359 D HN -0.006 nan 8.370 nan 0.000 0.518 360 S N 0.669 116.488 115.700 0.200 0.000 2.465 360 S HA 0.275 4.745 4.470 -0.000 0.000 0.280 360 S C -0.165 174.567 174.600 0.221 0.000 1.232 360 S CA -0.420 57.873 58.200 0.154 0.000 1.066 360 S CB -0.123 63.137 63.200 0.100 0.000 0.929 360 S HN 0.433 nan 8.310 nan 0.000 0.494 361 K N 3.048 123.514 120.400 0.109 0.000 2.615 361 K HA 0.503 4.823 4.320 -0.000 0.000 0.291 361 K C -1.740 174.848 176.600 -0.020 0.000 1.017 361 K CA -1.159 55.147 56.287 0.032 0.000 0.882 361 K CB 0.486 32.865 32.500 -0.202 0.000 1.522 361 K HN 0.390 nan 8.250 nan 0.000 0.412 362 L N 1.682 122.887 121.223 -0.030 0.000 2.305 362 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 362 L C -0.822 175.985 176.870 -0.105 0.000 1.085 362 L CA 0.301 55.064 54.840 -0.127 0.000 0.813 362 L CB 1.118 43.000 42.059 -0.294 0.000 1.157 362 L HN 0.723 nan 8.230 nan 0.000 0.436 363 D N 3.222 123.548 120.400 -0.122 0.000 2.316 363 D HA 0.071 4.711 4.640 -0.000 0.000 0.245 363 D C -0.003 176.241 176.300 -0.095 0.000 1.171 363 D CA 0.175 54.150 54.000 -0.043 0.000 0.856 363 D CB 0.519 41.295 40.800 -0.038 0.000 1.090 363 D HN 0.517 nan 8.370 nan 0.000 0.476 364 Y N 2.055 122.323 120.300 -0.054 0.000 2.490 364 Y HA 0.152 4.702 4.550 -0.000 0.000 0.281 364 Y C 0.752 176.626 175.900 -0.044 0.000 1.174 364 Y CA -0.137 57.934 58.100 -0.049 0.000 1.295 364 Y CB -0.272 38.154 38.460 -0.055 0.000 1.062 364 Y HN 0.309 nan 8.280 nan 0.000 0.522 365 N N 0.529 119.273 118.700 0.073 0.000 2.530 365 N HA 0.068 4.808 4.740 -0.000 0.000 0.277 365 N C -0.323 175.193 175.510 0.011 0.000 1.168 365 N CA -0.221 52.853 53.050 0.039 0.000 0.979 365 N CB 0.181 38.688 38.487 0.032 0.000 1.141 365 N HN 0.197 nan 8.380 nan 0.000 0.459 366 N N 0.086 118.791 118.700 0.009 0.000 2.735 366 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 366 N C -1.130 174.369 175.510 -0.019 0.000 1.083 366 N CA 0.050 53.099 53.050 -0.000 0.000 0.703 366 N CB -1.056 37.437 38.487 0.010 0.000 1.005 366 N HN 0.463 nan 8.380 nan 0.000 0.550 367 I N 1.644 122.196 120.570 -0.031 0.000 2.352 367 I HA 0.234 4.404 4.170 -0.000 0.000 0.290 367 I C -1.506 174.580 176.117 -0.050 0.000 1.036 367 I CA -1.545 59.724 61.300 -0.051 0.000 1.336 367 I CB 0.551 38.514 38.000 -0.061 0.000 1.407 367 I HN -0.064 nan 8.210 nan 0.000 0.497 368 P HA 0.223 nan 4.420 nan 0.000 0.281 368 P C -0.670 176.589 177.300 -0.067 0.000 1.249 368 P CA -0.302 62.771 63.100 -0.045 0.000 0.810 368 P CB 1.858 33.544 31.700 -0.024 0.000 1.008 369 T N 0.384 114.892 114.554 -0.077 0.000 2.916 369 T HA 0.445 4.795 4.350 -0.000 0.000 0.305 369 T C -1.450 173.174 174.700 -0.127 0.000 1.119 369 T CA -0.473 61.560 62.100 -0.112 0.000 1.008 369 T CB 1.072 69.857 68.868 -0.138 0.000 1.129 369 T HN 0.104 nan 8.240 nan 0.000 0.480 370 V N 4.348 124.125 119.914 -0.228 0.000 2.604 370 V HA 0.645 4.765 4.120 -0.000 0.000 0.305 370 V C -0.404 175.383 176.094 -0.512 0.000 1.043 370 V CA -0.661 61.403 62.300 -0.394 0.000 0.888 370 V CB 2.070 33.535 31.823 -0.597 0.000 0.995 370 V HN 0.795 nan 8.190 nan 0.000 0.429 371 V N 4.973 124.614 119.914 -0.456 0.000 2.370 371 V HA 0.403 4.523 4.120 -0.000 0.000 0.283 371 V C -0.388 175.392 176.094 -0.522 0.000 1.023 371 V CA -0.395 61.703 62.300 -0.337 0.000 0.857 371 V CB 1.371 33.081 31.823 -0.189 0.000 0.985 371 V HN 0.729 nan 8.190 nan 0.000 0.443 372 F N 3.456 123.223 119.950 -0.305 0.000 2.659 372 F HA 0.292 4.819 4.527 0.000 0.000 0.360 372 F C 1.203 176.796 175.800 -0.346 0.000 1.218 372 F CA 0.423 58.020 58.000 -0.672 0.000 1.317 372 F CB 0.302 38.602 39.000 -1.168 0.000 1.697 372 F HN 0.524 nan 8.300 nan 0.000 0.637 373 S N 0.387 116.039 115.700 -0.080 0.000 2.623 373 S HA 0.403 4.873 4.470 -0.000 0.000 0.278 373 S C -0.371 174.209 174.600 -0.033 0.000 1.148 373 S CA -0.475 57.729 58.200 0.006 0.000 1.028 373 S CB 0.575 63.774 63.200 -0.001 0.000 1.145 373 S HN 0.414 nan 8.310 nan 0.000 0.523 374 H N 1.359 120.576 119.070 0.246 0.000 2.887 374 H HA 0.381 4.937 4.556 -0.000 0.000 0.300 374 H C -2.552 172.854 175.328 0.130 0.000 1.038 374 H CA -1.433 54.745 56.048 0.218 0.000 1.352 374 H CB 0.958 30.810 29.762 0.151 0.000 1.473 374 H HN 0.419 nan 8.280 nan 0.000 0.503 375 P HA 0.131 nan 4.420 nan 0.000 0.274 375 P C -2.496 174.884 177.300 0.135 0.000 1.256 375 P CA -1.501 61.714 63.100 0.191 0.000 0.795 375 P CB 0.221 32.003 31.700 0.138 0.000 1.038 376 P HA 0.210 nan 4.420 nan 0.000 0.274 376 P C -0.568 176.686 177.300 -0.075 0.000 1.237 376 P CA 0.283 63.372 63.100 -0.018 0.000 0.793 376 P CB 0.672 32.336 31.700 -0.060 0.000 0.977 377 I N 0.510 120.983 120.570 -0.163 0.000 2.493 377 I HA 0.565 4.735 4.170 -0.000 0.000 0.298 377 I C 0.737 176.783 176.117 -0.118 0.000 0.998 377 I CA -0.462 60.774 61.300 -0.106 0.000 1.137 377 I CB 2.050 39.985 38.000 -0.108 0.000 1.310 377 I HN 0.370 nan 8.210 nan 0.000 0.445 378 G N 2.381 111.161 108.800 -0.033 0.000 2.643 378 G HA2 0.611 4.571 3.960 -0.000 0.000 0.305 378 G HA3 0.611 4.571 3.960 -0.000 0.000 0.305 378 G C -1.231 173.695 174.900 0.043 0.000 1.387 378 G CA -0.359 44.726 45.100 -0.025 0.000 0.982 378 G HN 0.485 nan 8.290 nan 0.000 0.501 379 T N -0.308 114.272 114.554 0.045 0.000 2.956 379 T HA 0.654 5.004 4.350 -0.000 0.000 0.312 379 T C -1.706 172.986 174.700 -0.014 0.000 1.151 379 T CA -0.484 61.657 62.100 0.068 0.000 1.024 379 T CB 1.920 70.930 68.868 0.238 0.000 1.140 379 T HN 1.253 nan 8.240 nan 0.000 0.473 380 V N 3.924 123.790 119.914 -0.080 0.000 2.969 380 V HA 0.831 4.951 4.120 -0.000 0.000 0.304 380 V C 0.297 176.341 176.094 -0.083 0.000 1.192 380 V CA 1.108 63.371 62.300 -0.061 0.000 0.962 380 V CB 1.126 32.933 31.823 -0.027 0.000 1.045 380 V HN 1.882 nan 8.190 nan 0.000 0.428 381 G N 4.668 113.454 108.800 -0.024 0.000 2.615 381 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.218 381 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.218 381 G C -0.786 174.155 174.900 0.069 0.000 1.339 381 G CA -0.226 44.878 45.100 0.008 0.000 0.884 381 G HN 1.255 nan 8.290 nan 0.000 0.559 382 L N 1.436 122.720 121.223 0.102 0.000 2.395 382 L HA 0.519 4.859 4.340 -0.000 0.000 0.269 382 L C 1.724 178.744 176.870 0.251 0.000 1.133 382 L CA -0.174 54.746 54.840 0.134 0.000 0.812 382 L CB 1.143 43.276 42.059 0.124 0.000 1.125 382 L HN 1.031 nan 8.230 nan 0.000 0.452 383 T N -2.500 112.113 114.554 0.099 0.000 2.788 383 T HA 0.044 4.394 4.350 -0.000 0.000 0.287 383 T C 0.926 175.650 174.700 0.040 0.000 1.007 383 T CA -0.520 61.546 62.100 -0.057 0.000 1.005 383 T CB 1.302 70.076 68.868 -0.156 0.000 1.012 383 T HN 0.757 nan 8.240 nan 0.000 0.530 384 E N 0.252 120.453 120.200 0.001 0.000 2.085 384 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 384 E C 1.400 178.023 176.600 0.038 0.000 0.994 384 E CA 1.597 58.020 56.400 0.040 0.000 0.801 384 E CB -0.100 29.609 29.700 0.015 0.000 0.743 384 E HN 0.677 nan 8.360 nan 0.000 0.453 385 D N 0.346 120.752 120.400 0.010 0.000 2.117 385 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 385 D C 1.760 178.085 176.300 0.042 0.000 0.982 385 D CA 1.032 55.044 54.000 0.020 0.000 0.828 385 D CB -0.117 40.679 40.800 -0.006 0.000 0.967 385 D HN 0.375 nan 8.370 nan 0.000 0.464 386 E N 0.917 121.131 120.200 0.022 0.000 2.106 386 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 386 E C 2.135 178.785 176.600 0.084 0.000 0.984 386 E CA 0.848 57.262 56.400 0.023 0.000 0.806 386 E CB -0.008 29.687 29.700 -0.008 0.000 0.750 386 E HN 0.165 nan 8.360 nan 0.000 0.458 387 A N 1.409 124.300 122.820 0.119 0.000 1.898 387 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 387 A C 2.201 179.911 177.584 0.209 0.000 1.181 387 A CA 0.999 53.165 52.037 0.215 0.000 0.620 387 A CB -0.587 18.549 19.000 0.226 0.000 0.819 387 A HN 0.125 nan 8.150 nan 0.000 0.442 388 I N -0.964 119.690 120.570 0.140 0.000 2.208 388 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 388 I C 2.627 178.799 176.117 0.092 0.000 1.097 388 I CA 1.762 63.127 61.300 0.109 0.000 1.363 388 I CB -0.517 37.527 38.000 0.073 0.000 1.051 388 I HN 0.560 nan 8.210 nan 0.000 0.413 389 H N 1.763 120.833 119.070 -0.000 0.000 2.389 389 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 389 H C 2.134 177.418 175.328 -0.073 0.000 1.081 389 H CA 1.809 57.839 56.048 -0.030 0.000 1.345 389 H CB 0.156 29.896 29.762 -0.037 0.000 1.393 389 H HN 0.295 nan 8.280 nan 0.000 0.520 390 K N -0.575 119.815 120.400 -0.016 0.000 2.137 390 K HA -0.095 4.225 4.320 -0.000 0.000 0.202 390 K C 1.068 177.427 176.600 -0.402 0.000 1.052 390 K CA 0.936 57.066 56.287 -0.261 0.000 0.961 390 K CB 0.150 32.391 32.500 -0.431 0.000 0.741 390 K HN 0.213 nan 8.250 nan 0.000 0.452 391 Y N -0.349 119.946 120.300 -0.008 0.000 2.442 391 Y HA 0.319 4.869 4.550 -0.000 0.000 0.250 391 Y C 0.430 176.313 175.900 -0.029 0.000 1.113 391 Y CA 0.193 58.283 58.100 -0.016 0.000 1.273 391 Y CB 1.352 39.811 38.460 -0.001 0.000 1.138 391 Y HN 0.194 nan 8.280 nan 0.000 0.522 392 G N 1.032 109.882 108.800 0.082 0.000 3.190 392 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.686 392 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.686 392 G C 0.529 175.461 174.900 0.053 0.000 1.033 392 G CA -0.199 44.922 45.100 0.034 0.000 0.797 392 G HN 0.385 nan 8.290 nan 0.000 0.567 393 I N 0.840 121.428 120.570 0.029 0.000 2.300 393 I HA -0.244 3.926 4.170 -0.000 0.000 0.252 393 I C 2.535 178.661 176.117 0.015 0.000 1.119 393 I CA 2.636 63.950 61.300 0.025 0.000 1.384 393 I CB -0.041 37.967 38.000 0.013 0.000 1.062 393 I HN 0.855 nan 8.210 nan 0.000 0.426 394 E N -0.269 119.939 120.200 0.013 0.000 2.338 394 E HA -0.168 4.182 4.350 -0.000 0.000 0.197 394 E C 0.742 177.345 176.600 0.005 0.000 1.007 394 E CA 0.778 57.181 56.400 0.005 0.000 0.849 394 E CB -0.291 29.411 29.700 0.004 0.000 0.774 394 E HN 0.568 nan 8.360 nan 0.000 0.506 395 N N 0.855 119.567 118.700 0.020 0.000 2.235 395 N HA 0.144 4.884 4.740 -0.000 0.000 0.231 395 N C -0.987 174.513 175.510 -0.017 0.000 1.177 395 N CA 0.022 53.077 53.050 0.007 0.000 0.874 395 N CB 1.867 40.376 38.487 0.037 0.000 1.097 395 N HN -0.045 nan 8.380 nan 0.000 0.518 396 V N 1.153 121.065 119.914 -0.003 0.000 2.495 396 V HA 0.382 4.502 4.120 -0.000 0.000 0.298 396 V C -0.178 175.889 176.094 -0.045 0.000 1.031 396 V CA -0.678 61.614 62.300 -0.013 0.000 0.871 396 V CB 2.285 34.131 31.823 0.039 0.000 0.988 396 V HN -0.049 nan 8.190 nan 0.000 0.432 397 K N 3.135 123.495 120.400 -0.068 0.000 2.471 397 K HA 0.683 5.003 4.320 -0.000 0.000 0.252 397 K C -0.513 175.990 176.600 -0.162 0.000 0.938 397 K CA -0.235 55.968 56.287 -0.140 0.000 0.796 397 K CB 1.894 34.306 32.500 -0.147 0.000 1.161 397 K HN 0.865 nan 8.250 nan 0.000 0.425 398 T N 0.758 115.175 114.554 -0.229 0.000 2.856 398 T HA 0.590 4.940 4.350 -0.000 0.000 0.283 398 T C -0.832 173.684 174.700 -0.307 0.000 1.008 398 T CA -0.553 61.456 62.100 -0.153 0.000 0.997 398 T CB 0.558 69.396 68.868 -0.049 0.000 0.992 398 T HN 0.354 nan 8.240 nan 0.000 0.454 399 Y N 1.184 121.465 120.300 -0.032 0.000 2.429 399 Y HA 0.659 5.209 4.550 -0.000 0.000 0.342 399 Y C 0.640 176.533 175.900 -0.012 0.000 1.004 399 Y CA -0.526 57.558 58.100 -0.028 0.000 1.075 399 Y CB 2.472 40.901 38.460 -0.052 0.000 1.214 399 Y HN 1.115 nan 8.280 nan 0.000 0.455 400 S N 0.594 116.381 115.700 0.145 0.000 2.570 400 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 400 S C -1.045 173.623 174.600 0.112 0.000 1.149 400 S CA -0.791 57.474 58.200 0.108 0.000 0.837 400 S CB 2.280 65.525 63.200 0.075 0.000 1.124 400 S HN 0.649 nan 8.310 nan 0.000 0.465 401 T N 0.384 115.014 114.554 0.127 0.000 2.853 401 T HA 0.788 5.138 4.350 -0.000 0.000 0.311 401 T C -1.745 173.073 174.700 0.196 0.000 1.307 401 T CA -0.084 62.113 62.100 0.162 0.000 1.019 401 T CB 1.491 70.469 68.868 0.183 0.000 1.264 401 T HN 1.729 nan 8.240 nan 0.000 0.497 402 S N 2.356 118.188 115.700 0.220 0.000 2.548 402 S HA 0.923 5.393 4.470 -0.000 0.000 0.276 402 S C -1.131 173.641 174.600 0.287 0.000 1.129 402 S CA -0.781 57.517 58.200 0.163 0.000 0.931 402 S CB 1.324 64.567 63.200 0.070 0.000 1.068 402 S HN 1.032 nan 8.310 nan 0.000 0.480 403 F N -1.682 118.302 119.950 0.057 0.000 2.741 403 F HA 0.781 5.308 4.527 -0.000 0.000 0.313 403 F C -1.116 174.733 175.800 0.082 0.000 1.153 403 F CA -0.986 57.052 58.000 0.064 0.000 0.931 403 F CB 0.900 39.941 39.000 0.067 0.000 1.335 403 F HN 0.429 nan 8.300 nan 0.000 0.460 404 T N 3.449 118.142 114.554 0.230 0.000 2.743 404 T HA 0.441 4.791 4.350 -0.000 0.000 0.292 404 T C -2.627 172.268 174.700 0.325 0.000 0.972 404 T CA -1.102 61.095 62.100 0.162 0.000 0.967 404 T CB 0.928 69.886 68.868 0.150 0.000 0.926 404 T HN 0.451 nan 8.240 nan 0.000 0.459 405 P HA 0.012 nan 4.420 nan 0.000 0.266 405 P C 0.972 178.441 177.300 0.281 0.000 1.193 405 P CA -0.211 63.100 63.100 0.352 0.000 0.770 405 P CB 0.710 32.552 31.700 0.237 0.000 0.836 406 M N 2.892 122.633 119.600 0.236 0.000 2.260 406 M HA -0.241 4.239 4.480 -0.000 0.000 0.261 406 M C 1.841 178.210 176.300 0.115 0.000 1.066 406 M CA 1.721 57.111 55.300 0.149 0.000 1.082 406 M CB -0.612 32.051 32.600 0.106 0.000 1.388 406 M HN 0.397 nan 8.290 nan 0.000 0.419 407 Y N 0.112 120.413 120.300 0.001 0.000 2.256 407 Y HA -0.284 4.266 4.550 0.000 0.000 0.288 407 Y C 1.755 177.623 175.900 -0.053 0.000 1.155 407 Y CA 1.905 59.972 58.100 -0.054 0.000 1.203 407 Y CB -0.398 37.926 38.460 -0.226 0.000 0.980 407 Y HN 0.346 nan 8.280 nan 0.000 0.530 408 H N -0.297 118.785 119.070 0.019 0.000 2.533 408 H HA 0.302 4.858 4.556 -0.000 0.000 0.271 408 H C 2.103 177.364 175.328 -0.113 0.000 1.000 408 H CA 0.469 56.468 56.048 -0.080 0.000 1.149 408 H CB -0.241 29.562 29.762 0.068 0.000 1.375 408 H HN 0.531 nan 8.280 nan 0.000 0.582 409 A N 0.978 123.786 122.820 -0.020 0.000 1.978 409 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 409 A C 2.164 179.674 177.584 -0.124 0.000 1.170 409 A CA 1.886 53.899 52.037 -0.040 0.000 0.636 409 A CB -0.401 18.580 19.000 -0.031 0.000 0.810 409 A HN 0.294 nan 8.150 nan 0.000 0.448 410 V N -2.916 116.840 119.914 -0.264 0.000 3.380 410 V HA 0.268 4.388 4.120 -0.000 0.000 0.307 410 V C 0.492 176.373 176.094 -0.355 0.000 1.434 410 V CA 0.472 62.564 62.300 -0.346 0.000 1.075 410 V CB -0.873 30.632 31.823 -0.530 0.000 0.954 410 V HN 0.503 nan 8.190 nan 0.000 0.444 411 T N -2.741 111.666 114.554 -0.245 0.000 2.925 411 T HA 0.505 4.855 4.350 -0.000 0.000 0.285 411 T C 0.535 175.206 174.700 -0.049 0.000 1.021 411 T CA -0.503 61.520 62.100 -0.128 0.000 1.042 411 T CB 2.370 71.236 68.868 -0.004 0.000 1.037 411 T HN 0.211 nan 8.240 nan 0.000 0.481 412 K N 0.015 120.399 120.400 -0.027 0.000 2.137 412 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 412 K C 1.341 177.922 176.600 -0.031 0.000 1.052 412 K CA 0.294 56.565 56.287 -0.027 0.000 0.961 412 K CB 0.097 32.586 32.500 -0.017 0.000 0.741 412 K HN 0.498 nan 8.250 nan 0.000 0.452 413 R N 1.834 122.330 120.500 -0.006 0.000 2.543 413 R HA 0.039 4.379 4.340 -0.000 0.000 0.277 413 R C -0.711 175.484 176.300 -0.174 0.000 1.074 413 R CA 0.287 56.365 56.100 -0.036 0.000 1.076 413 R CB 0.494 30.822 30.300 0.046 0.000 0.993 413 R HN -0.167 nan 8.270 nan 0.000 0.459 414 K N 2.217 122.444 120.400 -0.289 0.000 2.477 414 K HA 0.379 4.699 4.320 -0.000 0.000 0.255 414 K C -0.929 175.401 176.600 -0.450 0.000 0.952 414 K CA -0.759 55.180 56.287 -0.580 0.000 0.826 414 K CB 2.264 34.599 32.500 -0.275 0.000 1.331 414 K HN 0.864 nan 8.250 nan 0.000 0.437 415 T N -1.816 112.444 114.554 -0.490 0.000 2.900 415 T HA 0.607 4.957 4.350 -0.000 0.000 0.303 415 T C -0.595 174.090 174.700 -0.024 0.000 1.142 415 T CA -0.960 61.087 62.100 -0.089 0.000 1.007 415 T CB 2.120 71.064 68.868 0.128 0.000 1.156 415 T HN 0.581 nan 8.240 nan 0.000 0.490 416 K N -0.342 120.037 120.400 -0.035 0.000 2.258 416 K HA 0.826 5.146 4.320 -0.000 0.000 0.236 416 K C -1.107 175.389 176.600 -0.173 0.000 1.008 416 K CA -1.042 55.188 56.287 -0.095 0.000 0.869 416 K CB 1.839 34.288 32.500 -0.085 0.000 1.171 416 K HN 0.697 nan 8.250 nan 0.000 0.447 417 C N 1.965 121.020 119.300 -0.408 0.000 2.396 417 C HA 0.690 5.150 4.460 -0.000 0.000 0.321 417 C C -0.817 173.938 174.990 -0.392 0.000 1.233 417 C CA -0.274 58.444 59.018 -0.500 0.000 1.440 417 C CB 0.230 27.379 27.740 -0.984 0.000 2.110 417 C HN 0.613 nan 8.230 nan 0.000 0.473 418 V N 5.205 125.029 119.914 -0.150 0.000 2.604 418 V HA 0.798 4.918 4.120 -0.000 0.000 0.305 418 V C -0.634 175.477 176.094 0.028 0.000 1.043 418 V CA -0.633 61.648 62.300 -0.031 0.000 0.888 418 V CB 1.628 33.447 31.823 -0.007 0.000 0.995 418 V HN 0.947 nan 8.190 nan 0.000 0.429 419 M N 4.015 123.664 119.600 0.082 0.000 2.446 419 M HA 0.632 5.112 4.480 -0.000 0.000 0.294 419 M C -0.941 175.407 176.300 0.081 0.000 1.158 419 M CA -0.529 54.819 55.300 0.080 0.000 0.899 419 M CB 2.876 35.535 32.600 0.098 0.000 1.687 419 M HN 0.843 nan 8.290 nan 0.000 0.455 420 K N 3.308 123.754 120.400 0.075 0.000 2.482 420 K HA 0.677 4.997 4.320 -0.000 0.000 0.251 420 K C -1.966 174.660 176.600 0.044 0.000 0.936 420 K CA -0.539 55.804 56.287 0.094 0.000 0.791 420 K CB 2.496 35.088 32.500 0.153 0.000 1.213 420 K HN 0.899 nan 8.250 nan 0.000 0.428 421 M N 5.433 125.056 119.600 0.037 0.000 2.181 421 M HA 0.320 4.800 4.480 -0.000 0.000 0.323 421 M C -1.661 174.662 176.300 0.037 0.000 1.004 421 M CA -0.836 54.440 55.300 -0.039 0.000 0.941 421 M CB 1.590 34.119 32.600 -0.118 0.000 1.579 421 M HN 0.350 nan 8.290 nan 0.000 0.427 422 V N 5.109 125.026 119.914 0.004 0.000 2.350 422 V HA 0.404 4.524 4.120 -0.000 0.000 0.276 422 V C -0.440 175.650 176.094 -0.007 0.000 1.028 422 V CA -0.558 61.765 62.300 0.037 0.000 0.860 422 V CB 0.934 32.813 31.823 0.094 0.000 0.990 422 V HN 0.971 nan 8.190 nan 0.000 0.453 423 C N 4.068 123.368 119.300 0.000 0.000 2.435 423 C HA 0.953 5.413 4.460 -0.000 0.000 0.333 423 C C 0.586 175.510 174.990 -0.110 0.000 1.202 423 C CA -0.649 58.343 59.018 -0.043 0.000 1.830 423 C CB 1.130 28.891 27.740 0.035 0.000 2.326 423 C HN 0.990 nan 8.230 nan 0.000 0.507 424 A N 2.745 125.432 122.820 -0.222 0.000 2.401 424 A HA 0.838 5.158 4.320 -0.000 0.000 0.310 424 A C -0.323 177.071 177.584 -0.318 0.000 1.075 424 A CA -0.362 51.426 52.037 -0.416 0.000 0.746 424 A CB 0.463 18.824 19.000 -1.066 0.000 1.277 424 A HN 1.136 nan 8.150 nan 0.000 0.425 425 N N -0.198 118.345 118.700 -0.261 0.000 6.420 425 N HA -0.174 4.566 4.740 -0.000 0.000 0.404 425 N C 0.365 175.826 175.510 -0.081 0.000 0.965 425 N CA 0.483 53.448 53.050 -0.142 0.000 1.925 425 N CB -0.053 38.347 38.487 -0.145 0.000 0.731 425 N HN 0.704 nan 8.380 nan 0.000 0.511 426 K N 1.160 121.532 120.400 -0.047 0.000 2.059 426 K HA -0.216 4.104 4.320 -0.000 0.000 0.212 426 K C 1.597 178.183 176.600 -0.022 0.000 1.050 426 K CA 2.115 58.387 56.287 -0.026 0.000 0.927 426 K CB -0.563 31.928 32.500 -0.015 0.000 0.714 426 K HN 0.722 nan 8.250 nan 0.000 0.447 427 E N 1.694 121.877 120.200 -0.029 0.000 2.511 427 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 427 E C -0.521 176.062 176.600 -0.029 0.000 1.066 427 E CA 0.182 56.568 56.400 -0.022 0.000 0.871 427 E CB -0.638 29.051 29.700 -0.019 0.000 0.863 427 E HN 0.332 nan 8.360 nan 0.000 0.520 428 E N 1.021 121.196 120.200 -0.041 0.000 2.210 428 E HA -0.225 4.125 4.350 -0.000 0.000 0.201 428 E C -0.377 176.182 176.600 -0.067 0.000 1.339 428 E CA 0.609 56.986 56.400 -0.039 0.000 0.699 428 E CB -1.312 28.397 29.700 0.014 0.000 1.126 428 E HN 0.350 nan 8.360 nan 0.000 0.355 429 K N 0.979 121.323 120.400 -0.095 0.000 2.412 429 K HA 0.145 4.465 4.320 -0.000 0.000 0.281 429 K C -0.012 176.528 176.600 -0.100 0.000 1.027 429 K CA -0.241 55.996 56.287 -0.083 0.000 0.989 429 K CB 0.757 33.201 32.500 -0.093 0.000 0.935 429 K HN 0.002 nan 8.250 nan 0.000 0.475 430 V N 6.689 126.549 119.914 -0.090 0.000 2.397 430 V HA -0.020 4.100 4.120 -0.000 0.000 0.262 430 V C 1.027 177.090 176.094 -0.052 0.000 1.047 430 V CA -0.113 62.109 62.300 -0.130 0.000 1.003 430 V CB 0.581 32.259 31.823 -0.242 0.000 1.037 430 V HN 0.758 nan 8.190 nan 0.000 0.480 431 V N 1.937 121.828 119.914 -0.039 0.000 3.578 431 V HA 0.672 4.792 4.120 -0.000 0.000 0.290 431 V C 0.755 176.862 176.094 0.022 0.000 1.376 431 V CA 0.605 62.922 62.300 0.028 0.000 1.083 431 V CB 0.137 32.021 31.823 0.103 0.000 0.911 431 V HN 0.805 nan 8.190 nan 0.000 0.433 432 G N 0.142 108.915 108.800 -0.045 0.000 2.755 432 G HA2 0.687 4.647 3.960 -0.000 0.000 0.297 432 G HA3 0.687 4.647 3.960 -0.000 0.000 0.297 432 G C -1.618 173.078 174.900 -0.341 0.000 1.441 432 G CA -0.595 44.415 45.100 -0.149 0.000 0.964 432 G HN 0.154 nan 8.290 nan 0.000 0.540 433 I N 2.425 122.646 120.570 -0.581 0.000 2.499 433 I HA 0.427 4.597 4.170 -0.000 0.000 0.288 433 I C -1.060 174.639 176.117 -0.697 0.000 1.048 433 I CA -0.893 60.120 61.300 -0.478 0.000 1.062 433 I CB 2.423 40.294 38.000 -0.215 0.000 1.238 433 I HN 0.431 nan 8.210 nan 0.000 0.426 434 H N 7.855 126.919 119.070 -0.010 0.000 2.759 434 H HA 0.720 5.276 4.556 -0.000 0.000 0.354 434 H C -0.832 174.500 175.328 0.007 0.000 1.074 434 H CA -0.716 55.340 56.048 0.013 0.000 1.226 434 H CB 2.381 32.161 29.762 0.030 0.000 1.648 434 H HN 0.609 nan 8.280 nan 0.000 0.529 435 M N 1.017 120.683 119.600 0.110 0.000 2.603 435 M HA 0.482 4.962 4.480 -0.000 0.000 0.275 435 M C -1.932 174.389 176.300 0.034 0.000 1.226 435 M CA -0.888 54.446 55.300 0.058 0.000 0.870 435 M CB 3.596 36.212 32.600 0.026 0.000 1.716 435 M HN 0.464 nan 8.290 nan 0.000 0.482 436 Q N 0.879 120.685 119.800 0.010 0.000 2.284 436 Q HA 0.795 5.135 4.340 -0.000 0.000 0.269 436 Q C -1.258 174.731 176.000 -0.019 0.000 1.026 436 Q CA -0.132 55.667 55.803 -0.006 0.000 0.831 436 Q CB 2.780 31.511 28.738 -0.012 0.000 1.322 436 Q HN 1.274 nan 8.270 nan 0.000 0.419 437 G N 1.759 110.562 108.800 0.005 0.000 2.336 437 G HA2 0.152 4.112 3.960 -0.000 0.000 0.300 437 G HA3 0.152 4.112 3.960 -0.000 0.000 0.300 437 G C -1.535 173.400 174.900 0.059 0.000 1.375 437 G CA -1.109 43.994 45.100 0.004 0.000 0.885 437 G HN 0.601 nan 8.290 nan 0.000 0.599 438 L N 1.155 122.419 121.223 0.069 0.000 2.540 438 L HA 0.318 4.658 4.340 -0.000 0.000 0.276 438 L C 1.829 178.755 176.870 0.093 0.000 1.212 438 L CA 1.607 56.494 54.840 0.078 0.000 0.893 438 L CB 0.298 42.368 42.059 0.018 0.000 1.138 438 L HN 2.033 nan 8.230 nan 0.000 0.491 439 G N 1.655 110.526 108.800 0.118 0.000 2.205 439 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.261 439 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.261 439 G C 0.867 175.835 174.900 0.113 0.000 0.980 439 G CA 0.262 45.435 45.100 0.121 0.000 0.632 439 G HN 0.736 nan 8.290 nan 0.000 0.533 440 C N 1.931 121.286 119.300 0.093 0.000 2.419 440 C HA 0.028 4.488 4.460 -0.000 0.000 0.283 440 C C 2.685 177.686 174.990 0.018 0.000 1.373 440 C CA 1.310 60.364 59.018 0.061 0.000 1.781 440 C CB -0.769 26.989 27.740 0.031 0.000 1.886 440 C HN 0.781 nan 8.230 nan 0.000 0.520 441 D N 0.895 121.299 120.400 0.006 0.000 2.144 441 D HA -0.144 4.496 4.640 -0.000 0.000 0.200 441 D C 1.501 177.812 176.300 0.018 0.000 0.978 441 D CA 1.283 55.241 54.000 -0.070 0.000 0.833 441 D CB -0.517 40.255 40.800 -0.047 0.000 0.961 441 D HN 0.437 nan 8.370 nan 0.000 0.470 442 E N -0.503 119.743 120.200 0.076 0.000 2.472 442 E HA 0.112 4.462 4.350 -0.000 0.000 0.196 442 E C 1.829 178.474 176.600 0.075 0.000 1.033 442 E CA -0.166 56.279 56.400 0.076 0.000 0.886 442 E CB 0.314 30.067 29.700 0.088 0.000 0.944 442 E HN 0.390 nan 8.360 nan 0.000 0.492 443 M N 0.277 119.939 119.600 0.103 0.000 2.388 443 M HA -0.027 4.453 4.480 -0.000 0.000 0.265 443 M C 1.908 178.351 176.300 0.239 0.000 1.088 443 M CA 0.506 55.908 55.300 0.169 0.000 1.134 443 M CB 0.207 32.932 32.600 0.208 0.000 1.384 443 M HN 0.100 nan 8.290 nan 0.000 0.447 444 L N 0.810 122.133 121.223 0.165 0.000 2.056 444 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 444 L C 2.297 179.246 176.870 0.132 0.000 1.078 444 L CA 1.926 56.872 54.840 0.177 0.000 0.749 444 L CB -0.792 41.308 42.059 0.068 0.000 0.901 444 L HN 0.329 nan 8.230 nan 0.000 0.433 445 Q N -0.263 119.568 119.800 0.052 0.000 2.096 445 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 445 Q C 2.089 178.074 176.000 -0.025 0.000 0.993 445 Q CA 2.430 58.239 55.803 0.010 0.000 0.862 445 Q CB -0.996 27.738 28.738 -0.007 0.000 0.915 445 Q HN 0.571 nan 8.270 nan 0.000 0.416 446 G N -1.427 107.316 108.800 -0.095 0.000 2.408 446 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 446 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 446 G C 0.992 175.736 174.900 -0.260 0.000 1.150 446 G CA 0.715 45.679 45.100 -0.227 0.000 0.776 446 G HN 0.388 nan 8.290 nan 0.000 0.542 447 F N 1.691 121.613 119.950 -0.046 0.000 2.293 447 F HA 0.153 4.680 4.527 0.000 0.000 0.300 447 F C 2.919 178.730 175.800 0.018 0.000 1.086 447 F CA 0.558 58.542 58.000 -0.025 0.000 1.375 447 F CB -0.274 38.756 39.000 0.051 0.000 1.045 447 F HN 0.235 nan 8.300 nan 0.000 0.516 448 A N -0.205 122.706 122.820 0.152 0.000 1.930 448 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 448 A C 2.364 179.976 177.584 0.046 0.000 1.175 448 A CA 1.718 53.807 52.037 0.085 0.000 0.627 448 A CB -1.145 17.879 19.000 0.041 0.000 0.815 448 A HN 0.163 nan 8.150 nan 0.000 0.443 449 V N -0.126 119.791 119.914 0.005 0.000 2.343 449 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 449 V C 3.040 179.133 176.094 -0.002 0.000 1.051 449 V CA 1.917 64.206 62.300 -0.017 0.000 1.036 449 V CB -1.206 30.584 31.823 -0.055 0.000 0.654 449 V HN 0.611 nan 8.190 nan 0.000 0.451 450 A N -0.268 122.551 122.820 -0.001 0.000 1.902 450 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 450 A C 2.384 180.042 177.584 0.123 0.000 1.181 450 A CA 2.002 54.056 52.037 0.029 0.000 0.623 450 A CB -0.644 18.331 19.000 -0.042 0.000 0.818 450 A HN 0.336 nan 8.150 nan 0.000 0.443 451 V N 0.160 120.171 119.914 0.162 0.000 2.358 451 V HA -0.216 3.904 4.120 -0.000 0.000 0.246 451 V C 2.546 178.687 176.094 0.079 0.000 1.047 451 V CA 2.351 64.736 62.300 0.142 0.000 1.035 451 V CB -0.584 31.313 31.823 0.122 0.000 0.658 451 V HN 0.583 nan 8.190 nan 0.000 0.452 452 K N 0.176 120.608 120.400 0.054 0.000 2.209 452 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 452 K C 1.867 178.484 176.600 0.028 0.000 1.048 452 K CA 1.603 57.908 56.287 0.030 0.000 0.940 452 K CB -0.341 32.165 32.500 0.010 0.000 0.729 452 K HN 0.429 nan 8.250 nan 0.000 0.451 453 M N -1.213 118.407 119.600 0.033 0.000 2.595 453 M HA 0.127 4.607 4.480 -0.000 0.000 0.248 453 M C 0.694 177.018 176.300 0.039 0.000 1.119 453 M CA 0.839 56.155 55.300 0.027 0.000 1.079 453 M CB 0.326 32.936 32.600 0.017 0.000 1.472 453 M HN 0.361 nan 8.290 nan 0.000 0.501 454 G N 1.372 110.205 108.800 0.055 0.000 2.171 454 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.238 454 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.238 454 G C 0.100 175.041 174.900 0.069 0.000 1.039 454 G CA -0.042 45.092 45.100 0.055 0.000 0.759 454 G HN 0.696 nan 8.290 nan 0.000 0.501 455 A N -0.001 122.889 122.820 0.117 0.000 2.483 455 A HA 0.698 5.018 4.320 -0.000 0.000 0.238 455 A C 1.113 178.777 177.584 0.133 0.000 1.070 455 A CA 1.349 53.489 52.037 0.171 0.000 0.770 455 A CB 0.258 19.461 19.000 0.337 0.000 1.008 455 A HN 1.926 nan 8.150 nan 0.000 0.497 456 T N -0.943 113.679 114.554 0.115 0.000 2.948 456 T HA 0.426 4.776 4.350 -0.000 0.000 0.285 456 T C 0.922 175.638 174.700 0.025 0.000 1.019 456 T CA -0.316 61.803 62.100 0.031 0.000 1.013 456 T CB 1.293 70.172 68.868 0.018 0.000 1.117 456 T HN 0.638 nan 8.240 nan 0.000 0.533 457 K N 0.044 120.391 120.400 -0.089 0.000 2.209 457 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 457 K C 2.329 178.922 176.600 -0.012 0.000 1.048 457 K CA 1.186 57.374 56.287 -0.165 0.000 0.940 457 K CB -0.780 31.559 32.500 -0.269 0.000 0.729 457 K HN 0.695 nan 8.250 nan 0.000 0.451 458 A N 1.550 124.376 122.820 0.010 0.000 1.902 458 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 458 A C 1.644 179.277 177.584 0.081 0.000 1.181 458 A CA 1.958 54.013 52.037 0.030 0.000 0.623 458 A CB -0.506 18.506 19.000 0.019 0.000 0.818 458 A HN 0.375 nan 8.150 nan 0.000 0.443 459 D N -0.955 119.524 120.400 0.131 0.000 2.144 459 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 459 D C 1.612 178.016 176.300 0.172 0.000 0.984 459 D CA 1.157 55.239 54.000 0.138 0.000 0.834 459 D CB -0.325 40.570 40.800 0.159 0.000 0.955 459 D HN 0.449 nan 8.370 nan 0.000 0.465 460 F N 1.785 121.736 119.950 0.002 0.000 2.084 460 F HA -0.108 4.419 4.527 0.000 0.000 0.296 460 F C 2.241 178.043 175.800 0.002 0.000 1.111 460 F CA 0.903 58.919 58.000 0.027 0.000 1.224 460 F CB -0.501 38.507 39.000 0.012 0.000 0.991 460 F HN -0.138 nan 8.300 nan 0.000 0.471 461 D N -0.323 120.182 120.400 0.175 0.000 2.218 461 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 461 D C 1.419 177.744 176.300 0.041 0.000 0.976 461 D CA 0.930 54.970 54.000 0.067 0.000 0.853 461 D CB -0.494 40.310 40.800 0.007 0.000 0.939 461 D HN 0.269 nan 8.370 nan 0.000 0.481 462 N N 0.167 118.891 118.700 0.041 0.000 2.461 462 N HA -0.021 4.719 4.740 -0.000 0.000 0.188 462 N C -0.215 175.297 175.510 0.003 0.000 1.134 462 N CA 0.339 53.399 53.050 0.017 0.000 0.878 462 N CB 0.443 38.939 38.487 0.014 0.000 0.972 462 N HN 0.034 nan 8.380 nan 0.000 0.456 463 T N 0.998 115.554 114.554 0.004 0.000 2.749 463 T HA 0.289 4.639 4.350 -0.000 0.000 0.287 463 T C 0.493 175.189 174.700 -0.007 0.000 0.970 463 T CA -0.472 61.615 62.100 -0.022 0.000 0.980 463 T CB 2.145 70.975 68.868 -0.063 0.000 0.924 463 T HN -0.252 nan 8.240 nan 0.000 0.456 464 V N 3.334 123.241 119.914 -0.012 0.000 2.673 464 V HA 0.326 4.446 4.120 -0.000 0.000 0.303 464 V C 1.014 177.111 176.094 0.005 0.000 1.046 464 V CA -0.580 61.717 62.300 -0.004 0.000 1.126 464 V CB 0.224 32.043 31.823 -0.008 0.000 0.934 464 V HN 1.079 nan 8.190 nan 0.000 0.487 465 A N 6.075 128.904 122.820 0.015 0.000 2.366 465 A HA 0.606 4.926 4.320 -0.000 0.000 0.249 465 A C -0.207 177.405 177.584 0.048 0.000 1.084 465 A CA -0.318 51.740 52.037 0.036 0.000 0.794 465 A CB 0.066 19.086 19.000 0.033 0.000 1.034 465 A HN 0.755 nan 8.150 nan 0.000 0.491 466 I N 1.378 121.989 120.570 0.068 0.000 2.330 466 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 466 I C -0.308 175.885 176.117 0.126 0.000 1.001 466 I CA -0.160 61.184 61.300 0.075 0.000 1.193 466 I CB 1.123 39.152 38.000 0.048 0.000 1.345 466 I HN 0.789 nan 8.210 nan 0.000 0.461 467 H N 7.500 126.577 119.070 0.010 0.000 2.495 467 H HA 0.628 5.184 4.556 -0.000 0.000 0.348 467 H C -2.542 172.795 175.328 0.016 0.000 1.113 467 H CA -1.776 54.278 56.048 0.010 0.000 1.195 467 H CB 1.689 31.452 29.762 0.002 0.000 1.521 467 H HN 0.315 nan 8.280 nan 0.000 0.509 468 P HA 0.340 nan 4.420 nan 0.000 0.304 468 P C -1.333 175.884 177.300 -0.138 0.000 1.366 468 P CA -0.665 62.095 63.100 -0.567 0.000 0.859 468 P CB 1.654 32.916 31.700 -0.731 0.000 0.961 469 T N -2.157 112.390 114.554 -0.012 0.000 2.787 469 T HA 0.392 4.742 4.350 -0.000 0.000 0.297 469 T C 0.642 175.400 174.700 0.096 0.000 1.221 469 T CA -0.505 61.627 62.100 0.053 0.000 1.006 469 T CB 1.177 70.088 68.868 0.072 0.000 1.328 469 T HN -0.048 nan 8.240 nan 0.000 0.509 470 S N 0.426 116.223 115.700 0.162 0.000 2.425 470 S HA -0.009 4.461 4.470 -0.000 0.000 0.225 470 S C 2.316 177.046 174.600 0.218 0.000 1.024 470 S CA 1.028 59.387 58.200 0.266 0.000 0.951 470 S CB -0.494 62.931 63.200 0.374 0.000 0.796 470 S HN 0.927 nan 8.310 nan 0.000 0.498 471 S N 2.788 118.604 115.700 0.194 0.000 2.400 471 S HA -0.230 4.240 4.470 -0.000 0.000 0.232 471 S C 1.735 176.462 174.600 0.211 0.000 1.025 471 S CA 1.393 59.732 58.200 0.232 0.000 0.993 471 S CB -0.684 62.665 63.200 0.249 0.000 0.808 471 S HN 0.801 nan 8.310 nan 0.000 0.478 472 E N 1.108 121.392 120.200 0.140 0.000 2.265 472 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 472 E C 1.521 178.159 176.600 0.063 0.000 0.996 472 E CA 1.062 57.527 56.400 0.109 0.000 0.832 472 E CB -0.331 29.423 29.700 0.090 0.000 0.756 472 E HN 0.446 nan 8.360 nan 0.000 0.491 473 E N 1.028 121.239 120.200 0.018 0.000 2.204 473 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 473 E C 2.097 178.711 176.600 0.022 0.000 0.990 473 E CA 0.620 56.999 56.400 -0.035 0.000 0.821 473 E CB -0.127 29.502 29.700 -0.119 0.000 0.750 473 E HN 0.458 nan 8.360 nan 0.000 0.477 474 L N 0.533 121.782 121.223 0.043 0.000 2.376 474 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 474 L C 1.970 178.931 176.870 0.151 0.000 1.133 474 L CA 0.532 55.372 54.840 0.001 0.000 0.816 474 L CB 0.046 41.929 42.059 -0.294 0.000 0.933 474 L HN 0.025 nan 8.230 nan 0.000 0.449 475 V N -5.019 114.998 119.914 0.172 0.000 3.483 475 V HA 0.151 4.271 4.120 -0.000 0.000 0.301 475 V C 1.063 177.203 176.094 0.077 0.000 1.389 475 V CA 0.568 62.981 62.300 0.188 0.000 1.101 475 V CB -0.230 31.693 31.823 0.167 0.000 0.971 475 V HN 0.392 nan 8.190 nan 0.000 0.434 476 T N -1.969 112.604 114.554 0.032 0.000 3.442 476 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 476 T C 0.025 174.709 174.700 -0.026 0.000 1.007 476 T CA -0.270 61.826 62.100 -0.007 0.000 0.962 476 T CB -0.349 68.509 68.868 -0.017 0.000 1.187 476 T HN 0.293 nan 8.240 nan 0.000 0.490 477 L N 2.053 123.248 121.223 -0.047 0.000 2.410 477 L HA 0.531 4.871 4.340 -0.000 0.000 0.273 477 L C 0.756 177.595 176.870 -0.051 0.000 1.152 477 L CA -0.527 54.285 54.840 -0.047 0.000 0.855 477 L CB 0.584 42.587 42.059 -0.093 0.000 1.129 477 L HN 0.184 nan 8.230 nan 0.000 0.463 478 R N 0.000 120.530 120.500 0.050 0.000 2.786 478 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 478 R CA 0.000 56.157 56.100 0.095 0.000 0.921 478 R CB 0.000 30.338 30.300 0.064 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535