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 1grf_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 0.000 176.050 176.094 -0.074 0.000 1.182 18 V CA 0.000 62.243 62.300 -0.095 0.000 1.235 18 V CB 0.000 31.799 31.823 -0.039 0.000 1.184 19 A N 2.788 125.548 122.820 -0.100 0.000 2.409 19 A HA 0.765 5.085 4.320 0.000 0.000 0.262 19 A C 0.410 178.013 177.584 0.032 0.000 1.113 19 A CA 0.269 52.282 52.037 -0.039 0.000 0.790 19 A CB 1.007 20.028 19.000 0.035 0.000 1.046 19 A HN 1.040 nan 8.150 nan 0.000 0.496 20 S N 1.599 117.243 115.700 -0.093 0.000 2.509 20 S HA 0.753 5.224 4.470 0.000 0.000 0.297 20 S C -1.018 173.459 174.600 -0.206 0.000 1.118 20 S CA -0.318 57.867 58.200 -0.026 0.000 1.074 20 S CB 0.237 63.440 63.200 0.006 0.000 1.038 20 S HN 0.509 nan 8.310 nan 0.000 0.498 21 Y N 1.040 121.418 120.300 0.130 0.000 2.665 21 Y HA 0.410 4.960 4.550 0.000 0.000 0.336 21 Y C 1.029 177.034 175.900 0.176 0.000 1.085 21 Y CA -0.856 57.325 58.100 0.135 0.000 1.096 21 Y CB 1.087 39.626 38.460 0.131 0.000 1.301 21 Y HN 0.544 nan 8.280 nan 0.000 0.493 22 D N -0.437 120.191 120.400 0.381 0.000 2.213 22 D HA -0.061 4.579 4.640 0.000 0.000 0.205 22 D C -0.800 175.866 176.300 0.609 0.000 0.961 22 D CA 1.635 55.878 54.000 0.405 0.000 0.853 22 D CB 0.445 41.415 40.800 0.284 0.000 0.967 22 D HN 0.253 nan 8.370 nan 0.000 0.496 23 Y N 0.349 120.831 120.300 0.303 0.000 2.399 23 Y HA 0.408 4.958 4.550 0.000 0.000 0.327 23 Y C -1.607 174.367 175.900 0.122 0.000 1.111 23 Y CA -0.941 57.329 58.100 0.285 0.000 1.047 23 Y CB 0.977 39.535 38.460 0.163 0.000 1.259 23 Y HN -0.277 nan 8.280 nan 0.000 0.434 24 L N 6.437 127.666 121.223 0.010 0.000 2.333 24 L HA 0.700 5.040 4.340 0.000 0.000 0.280 24 L C -1.151 175.507 176.870 -0.354 0.000 1.004 24 L CA -1.067 53.658 54.840 -0.191 0.000 0.820 24 L CB 1.634 43.662 42.059 -0.051 0.000 1.247 24 L HN 0.422 nan 8.230 nan 0.000 0.416 25 V N 5.644 125.322 119.914 -0.394 0.000 2.409 25 V HA 0.388 4.508 4.120 0.000 0.000 0.291 25 V C 0.129 176.080 176.094 -0.238 0.000 1.020 25 V CA -0.409 61.683 62.300 -0.347 0.000 0.848 25 V CB 1.854 33.459 31.823 -0.363 0.000 0.990 25 V HN 0.504 nan 8.190 nan 0.000 0.430 26 I N 4.893 125.356 120.570 -0.178 0.000 2.291 26 I HA 0.686 4.856 4.170 0.000 0.000 0.290 26 I C 0.748 176.796 176.117 -0.115 0.000 1.050 26 I CA 0.039 61.236 61.300 -0.172 0.000 1.245 26 I CB 0.921 38.809 38.000 -0.187 0.000 1.405 26 I HN 0.848 nan 8.210 nan 0.000 0.478 27 G N 3.603 112.335 108.800 -0.113 0.000 3.326 27 G HA2 0.054 4.014 3.960 0.000 0.000 0.681 27 G HA3 0.054 4.014 3.960 0.000 0.000 0.681 27 G C -0.119 174.742 174.900 -0.066 0.000 1.255 27 G CA -0.585 44.475 45.100 -0.068 0.000 0.976 27 G HN 0.908 nan 8.290 nan 0.000 0.563 28 G N 0.676 109.442 108.800 -0.057 0.000 4.084 28 G HA2 0.672 4.633 3.960 0.000 0.000 0.293 28 G HA3 0.672 4.633 3.960 0.000 0.000 0.293 28 G C 0.800 175.667 174.900 -0.056 0.000 1.303 28 G CA 0.869 45.935 45.100 -0.056 0.000 1.289 28 G HN 1.208 nan 8.290 nan 0.000 0.609 29 G N -0.044 108.730 108.800 -0.043 0.000 2.702 29 G HA2 0.397 4.357 3.960 0.000 0.000 0.254 29 G HA3 0.397 4.357 3.960 0.000 0.000 0.254 29 G C 1.187 176.073 174.900 -0.022 0.000 1.380 29 G CA 0.291 45.359 45.100 -0.053 0.000 1.042 29 G HN 0.165 nan 8.290 nan 0.000 0.557 30 S N -0.232 115.461 115.700 -0.010 0.000 2.353 30 S HA -0.134 4.336 4.470 0.000 0.000 0.222 30 S C 2.487 177.113 174.600 0.043 0.000 1.035 30 S CA 1.751 59.969 58.200 0.030 0.000 1.025 30 S CB -0.751 62.467 63.200 0.031 0.000 0.902 30 S HN 0.788 nan 8.310 nan 0.000 0.440 31 G N 1.143 109.967 108.800 0.039 0.000 2.421 31 G HA2 -0.010 3.951 3.960 0.000 0.000 0.216 31 G HA3 -0.010 3.951 3.960 0.000 0.000 0.216 31 G C 1.449 176.377 174.900 0.047 0.000 1.171 31 G CA 0.931 46.061 45.100 0.051 0.000 0.775 31 G HN 0.565 nan 8.290 nan 0.000 0.543 32 G N 1.011 109.825 108.800 0.023 0.000 2.433 32 G HA2 -0.170 3.790 3.960 0.000 0.000 0.216 32 G HA3 -0.170 3.790 3.960 0.000 0.000 0.216 32 G C 1.828 176.728 174.900 0.000 0.000 1.186 32 G CA 0.875 45.971 45.100 -0.007 0.000 0.779 32 G HN 0.403 nan 8.290 nan 0.000 0.543 33 L N 0.787 122.021 121.223 0.017 0.000 1.989 33 L HA -0.122 4.219 4.340 0.000 0.000 0.211 33 L C 3.473 180.371 176.870 0.046 0.000 1.071 33 L CA 1.248 56.111 54.840 0.039 0.000 0.749 33 L CB -0.645 41.474 42.059 0.099 0.000 0.890 33 L HN 0.316 nan 8.230 nan 0.000 0.431 34 A N -0.873 121.981 122.820 0.057 0.000 1.917 34 A HA -0.268 4.052 4.320 0.000 0.000 0.219 34 A C 2.555 180.172 177.584 0.056 0.000 1.182 34 A CA 2.351 54.419 52.037 0.051 0.000 0.633 34 A CB -0.768 18.264 19.000 0.053 0.000 0.819 34 A HN 0.381 nan 8.150 nan 0.000 0.448 35 S N -0.881 114.869 115.700 0.083 0.000 2.355 35 S HA 0.022 4.493 4.470 0.000 0.000 0.222 35 S C 2.228 176.947 174.600 0.197 0.000 1.031 35 S CA 1.406 59.696 58.200 0.150 0.000 0.993 35 S CB -0.469 62.860 63.200 0.216 0.000 0.859 35 S HN 0.810 nan 8.310 nan 0.000 0.453 36 A N 1.709 124.608 122.820 0.132 0.000 1.902 36 A HA -0.102 4.218 4.320 0.000 0.000 0.217 36 A C 2.192 179.798 177.584 0.038 0.000 1.181 36 A CA 1.485 53.583 52.037 0.102 0.000 0.623 36 A CB -0.582 18.413 19.000 -0.008 0.000 0.818 36 A HN 0.585 nan 8.150 nan 0.000 0.443 37 R N -1.335 119.172 120.500 0.011 0.000 2.081 37 R HA -0.117 4.223 4.340 0.000 0.000 0.235 37 R C 2.461 178.736 176.300 -0.043 0.000 1.131 37 R CA 1.597 57.685 56.100 -0.020 0.000 0.960 37 R CB -0.249 30.038 30.300 -0.021 0.000 0.856 37 R HN 0.424 nan 8.270 nan 0.000 0.436 38 R N 1.001 121.474 120.500 -0.044 0.000 2.090 38 R HA 0.020 4.360 4.340 0.000 0.000 0.228 38 R C 1.981 178.176 176.300 -0.175 0.000 1.110 38 R CA 1.604 57.641 56.100 -0.106 0.000 0.973 38 R CB -0.573 29.654 30.300 -0.120 0.000 0.869 38 R HN 0.218 nan 8.270 nan 0.000 0.440 39 A N 0.462 123.182 122.820 -0.167 0.000 1.883 39 A HA -0.076 4.244 4.320 0.000 0.000 0.217 39 A C 2.390 179.758 177.584 -0.359 0.000 1.186 39 A CA 1.911 53.725 52.037 -0.371 0.000 0.624 39 A CB -1.210 17.511 19.000 -0.465 0.000 0.822 39 A HN 0.464 nan 8.150 nan 0.000 0.444 40 A N 0.105 122.811 122.820 -0.191 0.000 1.908 40 A HA -0.234 4.086 4.320 0.000 0.000 0.218 40 A C 1.845 179.374 177.584 -0.092 0.000 1.181 40 A CA 1.815 53.782 52.037 -0.117 0.000 0.627 40 A CB -0.702 18.275 19.000 -0.038 0.000 0.818 40 A HN 0.680 nan 8.150 nan 0.000 0.445 41 E N -0.193 119.955 120.200 -0.086 0.000 2.209 41 E HA -0.135 4.215 4.350 0.000 0.000 0.196 41 E C 1.449 178.008 176.600 -0.067 0.000 0.993 41 E CA 1.032 57.397 56.400 -0.058 0.000 0.819 41 E CB -0.299 29.373 29.700 -0.048 0.000 0.745 41 E HN 0.651 nan 8.360 nan 0.000 0.477 42 L N -0.607 120.543 121.223 -0.121 0.000 2.591 42 L HA 0.161 4.501 4.340 0.000 0.000 0.228 42 L C 1.444 178.268 176.870 -0.076 0.000 1.133 42 L CA 0.402 55.185 54.840 -0.094 0.000 0.880 42 L CB 0.186 42.175 42.059 -0.116 0.000 1.033 42 L HN 0.354 nan 8.230 nan 0.000 0.450 43 G N -0.425 108.315 108.800 -0.101 0.000 2.218 43 G HA2 -0.221 3.740 3.960 0.000 0.000 0.216 43 G HA3 -0.221 3.740 3.960 0.000 0.000 0.216 43 G C 0.438 175.267 174.900 -0.118 0.000 0.994 43 G CA -0.165 44.895 45.100 -0.066 0.000 0.637 43 G HN 0.427 nan 8.290 nan 0.000 0.505 44 A N 0.027 122.672 122.820 -0.292 0.000 2.445 44 A HA 0.668 4.988 4.320 0.000 0.000 0.242 44 A C 0.658 178.149 177.584 -0.156 0.000 1.075 44 A CA 0.759 52.564 52.037 -0.387 0.000 0.777 44 A CB 0.329 18.649 19.000 -1.133 0.000 1.013 44 A HN 0.975 nan 8.150 nan 0.000 0.493 45 R N 1.518 122.005 120.500 -0.023 0.000 2.204 45 R HA 0.563 4.903 4.340 0.000 0.000 0.341 45 R C -0.351 176.082 176.300 0.222 0.000 1.035 45 R CA 0.669 56.836 56.100 0.110 0.000 0.887 45 R CB -0.060 30.320 30.300 0.132 0.000 1.114 45 R HN 0.886 nan 8.270 nan 0.000 0.473 46 A N 2.635 125.544 122.820 0.148 0.000 2.356 46 A HA 0.908 5.228 4.320 0.000 0.000 0.323 46 A C -1.157 176.356 177.584 -0.119 0.000 1.119 46 A CA -0.366 51.712 52.037 0.068 0.000 0.790 46 A CB 1.733 20.766 19.000 0.056 0.000 1.273 46 A HN 0.820 nan 8.150 nan 0.000 0.452 47 A N 0.451 123.034 122.820 -0.395 0.000 2.475 47 A HA 0.704 5.025 4.320 0.000 0.000 0.301 47 A C -1.277 176.072 177.584 -0.392 0.000 1.059 47 A CA -0.455 51.262 52.037 -0.534 0.000 0.710 47 A CB 1.539 19.869 19.000 -1.116 0.000 1.288 47 A HN 1.220 nan 8.150 nan 0.000 0.408 48 V N 2.167 121.902 119.914 -0.298 0.000 2.448 48 V HA 0.423 4.543 4.120 0.000 0.000 0.295 48 V C -0.310 175.631 176.094 -0.255 0.000 1.025 48 V CA -0.509 61.645 62.300 -0.244 0.000 0.859 48 V CB 1.629 33.357 31.823 -0.157 0.000 0.988 48 V HN 0.685 nan 8.190 nan 0.000 0.431 49 V N 4.227 123.982 119.914 -0.265 0.000 2.432 49 V HA 0.589 4.709 4.120 0.000 0.000 0.275 49 V C -0.179 175.809 176.094 -0.178 0.000 1.043 49 V CA -0.380 61.767 62.300 -0.255 0.000 0.925 49 V CB 1.452 33.098 31.823 -0.296 0.000 0.985 49 V HN 0.972 nan 8.190 nan 0.000 0.466 50 E N 2.871 122.984 120.200 -0.145 0.000 2.278 50 E HA 0.404 4.754 4.350 0.000 0.000 0.272 50 E C 0.400 176.941 176.600 -0.097 0.000 0.890 50 E CA -0.042 56.301 56.400 -0.095 0.000 0.770 50 E CB 2.107 31.764 29.700 -0.072 0.000 1.212 50 E HN 0.570 nan 8.360 nan 0.000 0.415 51 S N 3.640 119.297 115.700 -0.071 0.000 2.503 51 S HA 0.150 4.620 4.470 0.000 0.000 0.217 51 S C 0.770 175.052 174.600 -0.530 0.000 0.999 51 S CA 0.286 58.367 58.200 -0.198 0.000 0.914 51 S CB -0.182 62.963 63.200 -0.092 0.000 0.782 51 S HN 0.603 nan 8.310 nan 0.000 0.520 52 H N 1.237 120.295 119.070 -0.020 0.000 4.756 52 H HA 0.491 5.047 4.556 0.000 0.000 0.239 52 H C -0.398 174.908 175.328 -0.036 0.000 1.372 52 H CA -0.633 55.404 56.048 -0.019 0.000 0.781 52 H CB 0.079 29.832 29.762 -0.014 0.000 1.367 52 H HN 0.135 nan 8.280 nan 0.000 0.487 53 K N 1.697 122.171 120.400 0.123 0.000 2.159 53 K HA 0.381 4.701 4.320 0.000 0.000 0.266 53 K C -0.230 176.345 176.600 -0.042 0.000 0.975 53 K CA -0.427 55.867 56.287 0.011 0.000 0.865 53 K CB 1.919 34.413 32.500 -0.010 0.000 1.087 53 K HN 0.172 nan 8.250 nan 0.000 0.446 54 L N 0.608 121.789 121.223 -0.069 0.000 2.482 54 L HA 0.049 4.389 4.340 0.000 0.000 0.273 54 L C 1.533 178.249 176.870 -0.256 0.000 1.228 54 L CA 0.994 55.765 54.840 -0.114 0.000 0.827 54 L CB 0.029 42.051 42.059 -0.060 0.000 1.099 54 L HN 1.087 nan 8.230 nan 0.000 0.494 55 G N 0.056 108.633 108.800 -0.372 0.000 2.258 55 G HA2 -0.118 3.842 3.960 0.000 0.000 0.233 55 G HA3 -0.118 3.842 3.960 0.000 0.000 0.233 55 G C 0.763 175.469 174.900 -0.323 0.000 1.006 55 G CA 0.011 44.734 45.100 -0.628 0.000 0.620 55 G HN 1.469 nan 8.290 nan 0.000 0.511 56 G N -0.543 108.141 108.800 -0.194 0.000 2.614 56 G HA2 -0.205 3.755 3.960 0.000 0.000 0.303 56 G HA3 -0.205 3.755 3.960 0.000 0.000 0.303 56 G C 1.189 176.024 174.900 -0.109 0.000 1.270 56 G CA 2.107 47.141 45.100 -0.110 0.000 0.988 56 G HN 1.421 nan 8.290 nan 0.000 0.551 57 T N -0.168 114.345 114.554 -0.068 0.000 2.674 57 T HA -0.209 4.141 4.350 0.000 0.000 0.265 57 T C 2.451 177.106 174.700 -0.074 0.000 1.039 57 T CA 2.684 64.755 62.100 -0.048 0.000 1.150 57 T CB -0.833 68.036 68.868 0.001 0.000 0.864 57 T HN 1.050 nan 8.240 nan 0.000 0.427 58 C N 1.349 120.604 119.300 -0.075 0.000 2.398 58 C HA -0.097 4.363 4.460 0.000 0.000 0.276 58 C C 2.736 177.639 174.990 -0.144 0.000 1.222 58 C CA 0.946 59.917 59.018 -0.079 0.000 1.746 58 C CB -1.263 26.444 27.740 -0.057 0.000 2.039 58 C HN 0.387 nan 8.230 nan 0.000 0.470 59 V N 1.831 121.619 119.914 -0.210 0.000 2.302 59 V HA -0.117 4.003 4.120 0.000 0.000 0.243 59 V C 2.415 178.360 176.094 -0.249 0.000 1.036 59 V CA 2.329 64.471 62.300 -0.263 0.000 1.020 59 V CB -0.741 30.851 31.823 -0.385 0.000 0.657 59 V HN 0.573 nan 8.190 nan 0.000 0.453 60 N N 0.790 119.361 118.700 -0.216 0.000 2.148 60 N HA -0.054 4.686 4.740 0.000 0.000 0.186 60 N C 1.182 176.549 175.510 -0.237 0.000 1.031 60 N CA 2.020 54.958 53.050 -0.187 0.000 0.848 60 N CB 0.174 38.587 38.487 -0.122 0.000 1.005 60 N HN 0.543 nan 8.380 nan 0.000 0.427 61 V N -3.540 116.249 119.914 -0.208 0.000 2.967 61 V HA 0.710 4.830 4.120 0.000 0.000 0.364 61 V C 0.356 176.383 176.094 -0.111 0.000 1.373 61 V CA -0.150 62.031 62.300 -0.199 0.000 1.193 61 V CB 0.566 32.448 31.823 0.099 0.000 1.236 61 V HN 0.207 nan 8.190 nan 0.000 0.582 62 G N -0.524 108.158 108.800 -0.197 0.000 3.321 62 G HA2 0.228 4.188 3.960 0.000 0.000 0.169 62 G HA3 0.228 4.188 3.960 0.000 0.000 0.169 62 G C 0.813 175.688 174.900 -0.041 0.000 1.153 62 G CA 0.639 45.733 45.100 -0.011 0.000 1.007 62 G HN 0.201 nan 8.290 nan 0.000 0.668 63 C N 0.096 119.393 119.300 -0.005 0.000 2.318 63 C HA -0.130 4.330 4.460 0.000 0.000 0.272 63 C C 2.914 177.867 174.990 -0.063 0.000 1.156 63 C CA 1.293 60.303 59.018 -0.013 0.000 1.783 63 C CB -1.484 26.253 27.740 -0.005 0.000 2.023 63 C HN 0.314 nan 8.230 nan 0.000 0.437 64 V N 2.727 122.585 119.914 -0.093 0.000 2.220 64 V HA -0.162 3.958 4.120 0.000 0.000 0.246 64 V C 0.118 176.176 176.094 -0.060 0.000 1.049 64 V CA 2.812 65.067 62.300 -0.076 0.000 1.003 64 V CB -2.124 29.619 31.823 -0.134 0.000 0.634 64 V HN 0.401 nan 8.190 nan 0.000 0.444 65 P HA -0.197 nan 4.420 nan 0.000 0.218 65 P C 1.603 178.943 177.300 0.066 0.000 1.148 65 P CA 1.520 64.502 63.100 -0.197 0.000 0.822 65 P CB -0.157 31.103 31.700 -0.734 0.000 0.784 66 K N 1.048 121.510 120.400 0.102 0.000 2.026 66 K HA -0.187 4.133 4.320 0.000 0.000 0.208 66 K C 2.089 178.783 176.600 0.157 0.000 1.048 66 K CA 1.765 58.238 56.287 0.310 0.000 0.929 66 K CB -0.498 32.155 32.500 0.254 0.000 0.713 66 K HN -0.114 nan 8.250 nan 0.000 0.439 67 K N 0.709 121.107 120.400 -0.004 0.000 2.097 67 K HA -0.046 4.274 4.320 0.000 0.000 0.206 67 K C 2.002 178.659 176.600 0.096 0.000 1.049 67 K CA 1.175 57.407 56.287 -0.092 0.000 0.933 67 K CB -0.266 32.102 32.500 -0.220 0.000 0.717 67 K HN 0.003 nan 8.250 nan 0.000 0.442 68 V N 0.773 120.751 119.914 0.107 0.000 2.295 68 V HA -0.270 3.851 4.120 0.000 0.000 0.246 68 V C 2.318 178.478 176.094 0.110 0.000 1.049 68 V CA 1.709 64.071 62.300 0.102 0.000 1.024 68 V CB -0.472 31.413 31.823 0.102 0.000 0.648 68 V HN 0.344 nan 8.190 nan 0.000 0.447 69 M N -1.584 118.116 119.600 0.168 0.000 2.159 69 M HA -0.177 4.303 4.480 0.000 0.000 0.263 69 M C 1.968 178.374 176.300 0.176 0.000 1.063 69 M CA 1.500 56.892 55.300 0.155 0.000 1.110 69 M CB -1.337 31.449 32.600 0.309 0.000 1.374 69 M HN 0.618 nan 8.290 nan 0.000 0.411 70 W N 2.356 123.680 121.300 0.040 0.000 2.358 70 W HA -0.176 4.484 4.660 0.000 0.000 0.303 70 W C 1.962 178.503 176.519 0.038 0.000 1.208 70 W CA 1.523 58.891 57.345 0.039 0.000 1.274 70 W CB -0.349 29.086 29.460 -0.040 0.000 1.138 70 W HN 0.253 nan 8.180 nan 0.000 0.515 71 N N -0.497 118.283 118.700 0.133 0.000 2.223 71 N HA -0.137 4.603 4.740 0.000 0.000 0.185 71 N C 1.548 177.012 175.510 -0.076 0.000 1.016 71 N CA 2.138 55.181 53.050 -0.012 0.000 0.863 71 N CB -0.818 37.724 38.487 0.092 0.000 0.983 71 N HN 0.179 nan 8.380 nan 0.000 0.429 72 T N 0.684 115.201 114.554 -0.062 0.000 2.812 72 T HA 0.023 4.373 4.350 0.000 0.000 0.264 72 T C 2.013 176.589 174.700 -0.207 0.000 1.042 72 T CA 1.167 63.201 62.100 -0.110 0.000 1.140 72 T CB -0.240 68.549 68.868 -0.131 0.000 0.870 72 T HN 0.291 nan 8.240 nan 0.000 0.445 73 A N 1.116 123.798 122.820 -0.229 0.000 1.933 73 A HA -0.026 4.294 4.320 0.000 0.000 0.218 73 A C 2.557 179.915 177.584 -0.377 0.000 1.175 73 A CA 1.134 52.998 52.037 -0.289 0.000 0.628 73 A CB -1.051 17.852 19.000 -0.161 0.000 0.814 73 A HN 0.337 nan 8.150 nan 0.000 0.444 74 V N -0.374 119.267 119.914 -0.456 0.000 2.469 74 V HA -0.279 3.841 4.120 0.000 0.000 0.251 74 V C 2.447 178.231 176.094 -0.517 0.000 1.064 74 V CA 2.114 64.037 62.300 -0.628 0.000 1.066 74 V CB -0.998 30.343 31.823 -0.802 0.000 0.667 74 V HN 0.676 nan 8.190 nan 0.000 0.461 75 H N -0.621 118.260 119.070 -0.315 0.000 2.353 75 H HA -0.140 4.416 4.556 0.000 0.000 0.300 75 H C 2.684 177.864 175.328 -0.248 0.000 1.090 75 H CA 1.935 57.868 56.048 -0.191 0.000 1.327 75 H CB -0.049 29.622 29.762 -0.151 0.000 1.383 75 H HN 0.433 nan 8.280 nan 0.000 0.508 76 S N 0.175 115.748 115.700 -0.211 0.000 2.359 76 S HA -0.168 4.302 4.470 0.000 0.000 0.224 76 S C 1.961 176.223 174.600 -0.564 0.000 1.035 76 S CA 1.720 59.719 58.200 -0.336 0.000 1.018 76 S CB -0.012 62.989 63.200 -0.332 0.000 0.876 76 S HN 0.527 nan 8.310 nan 0.000 0.448 77 E N -0.477 119.415 120.200 -0.514 0.000 2.107 77 E HA -0.061 4.289 4.350 0.000 0.000 0.191 77 E C 1.772 178.215 176.600 -0.261 0.000 0.982 77 E CA 1.091 57.226 56.400 -0.441 0.000 0.809 77 E CB -0.198 29.215 29.700 -0.477 0.000 0.756 77 E HN 0.495 nan 8.360 nan 0.000 0.459 78 F N 0.972 120.800 119.950 -0.204 0.000 2.146 78 F HA -0.105 4.422 4.527 0.000 0.000 0.298 78 F C 2.366 178.123 175.800 -0.072 0.000 1.096 78 F CA 0.933 58.863 58.000 -0.116 0.000 1.275 78 F CB -0.704 38.144 39.000 -0.254 0.000 1.008 78 F HN 0.049 nan 8.300 nan 0.000 0.480 79 M N -0.471 119.110 119.600 -0.032 0.000 2.346 79 M HA -0.240 4.240 4.480 0.000 0.000 0.263 79 M C 1.884 178.219 176.300 0.058 0.000 1.064 79 M CA 1.801 57.065 55.300 -0.059 0.000 1.083 79 M CB -0.491 32.032 32.600 -0.128 0.000 1.399 79 M HN 0.107 nan 8.290 nan 0.000 0.435 80 H N 0.658 119.814 119.070 0.143 0.000 2.457 80 H HA -0.020 4.536 4.556 0.000 0.000 0.294 80 H C 0.962 176.420 175.328 0.218 0.000 1.064 80 H CA 1.379 57.515 56.048 0.147 0.000 1.330 80 H CB -0.327 29.497 29.762 0.104 0.000 1.395 80 H HN 0.558 nan 8.280 nan 0.000 0.541 81 D N -0.796 119.849 120.400 0.409 0.000 2.339 81 D HA -0.044 4.596 4.640 0.000 0.000 0.217 81 D C 1.765 178.333 176.300 0.446 0.000 1.050 81 D CA 0.143 54.403 54.000 0.432 0.000 0.856 81 D CB -0.116 41.032 40.800 0.581 0.000 0.922 81 D HN 0.360 nan 8.370 nan 0.000 0.518 82 H N 1.893 121.123 119.070 0.268 0.000 2.289 82 H HA -0.089 4.467 4.556 0.000 0.000 0.296 82 H C 2.036 177.564 175.328 0.334 0.000 1.091 82 H CA 2.167 58.371 56.048 0.260 0.000 1.274 82 H CB -0.042 29.807 29.762 0.144 0.000 1.364 82 H HN 0.113 nan 8.280 nan 0.000 0.490 83 A N 0.292 123.277 122.820 0.274 0.000 1.933 83 A HA -0.171 4.149 4.320 0.000 0.000 0.218 83 A C 2.084 179.725 177.584 0.095 0.000 1.175 83 A CA 1.795 53.929 52.037 0.161 0.000 0.628 83 A CB -0.390 18.695 19.000 0.142 0.000 0.814 83 A HN 0.475 nan 8.150 nan 0.000 0.444 84 D N -1.456 119.004 120.400 0.099 0.000 2.182 84 D HA -0.147 4.493 4.640 0.000 0.000 0.201 84 D C 0.868 177.088 176.300 -0.134 0.000 0.986 84 D CA 1.226 55.208 54.000 -0.030 0.000 0.847 84 D CB -0.252 40.510 40.800 -0.064 0.000 0.942 84 D HN 0.618 nan 8.370 nan 0.000 0.467 85 Y N -0.361 119.957 120.300 0.030 0.000 2.470 85 Y HA 0.275 4.825 4.550 0.000 0.000 0.284 85 Y C 1.691 177.546 175.900 -0.076 0.000 1.188 85 Y CA 0.389 58.508 58.100 0.032 0.000 1.269 85 Y CB 0.565 39.107 38.460 0.137 0.000 1.094 85 Y HN 0.044 nan 8.280 nan 0.000 0.518 86 G N -1.112 107.656 108.800 -0.053 0.000 2.159 86 G HA2 -0.267 3.693 3.960 0.000 0.000 0.227 86 G HA3 -0.267 3.693 3.960 0.000 0.000 0.227 86 G C -0.090 174.512 174.900 -0.496 0.000 0.986 86 G CA -0.346 44.589 45.100 -0.275 0.000 0.651 86 G HN 0.196 nan 8.290 nan 0.000 0.523 87 F N 0.792 120.637 119.950 -0.174 0.000 2.509 87 F HA 0.699 5.226 4.527 0.000 0.000 0.334 87 F C -1.867 173.896 175.800 -0.063 0.000 1.060 87 F CA -2.480 55.389 58.000 -0.218 0.000 0.997 87 F CB 1.397 39.944 39.000 -0.755 0.000 1.271 87 F HN -0.173 nan 8.300 nan 0.000 0.488 88 P HA 0.152 nan 4.420 nan 0.000 0.284 88 P C -0.685 176.782 177.300 0.278 0.000 1.253 88 P CA -0.498 62.722 63.100 0.201 0.000 0.800 88 P CB 1.243 33.040 31.700 0.162 0.000 0.961 89 S N 1.177 116.997 115.700 0.201 0.000 2.558 89 S HA 0.012 4.482 4.470 0.000 0.000 0.293 89 S C 0.136 174.846 174.600 0.184 0.000 1.292 89 S CA -0.046 58.274 58.200 0.200 0.000 1.063 89 S CB -0.400 62.885 63.200 0.142 0.000 0.831 89 S HN 0.466 nan 8.310 nan 0.000 0.499 90 C N 4.221 123.626 119.300 0.174 0.000 2.307 90 C HA 0.304 4.764 4.460 0.000 0.000 0.340 90 C C 1.761 176.806 174.990 0.093 0.000 1.275 90 C CA -0.608 58.468 59.018 0.097 0.000 1.811 90 C CB -0.076 27.671 27.740 0.012 0.000 2.372 90 C HN 1.076 nan 8.230 nan 0.000 0.531 91 E N 3.216 123.461 120.200 0.075 0.000 2.299 91 E HA 0.244 4.595 4.350 0.000 0.000 0.193 91 E C 0.927 177.568 176.600 0.069 0.000 0.998 91 E CA 0.935 57.378 56.400 0.071 0.000 0.851 91 E CB 0.293 30.028 29.700 0.058 0.000 0.795 91 E HN 0.816 nan 8.360 nan 0.000 0.492 92 G N 1.272 110.112 108.800 0.067 0.000 2.894 92 G HA2 0.101 4.061 3.960 0.000 0.000 0.164 92 G HA3 0.101 4.061 3.960 0.000 0.000 0.164 92 G C -1.336 173.622 174.900 0.097 0.000 1.180 92 G CA -0.495 44.650 45.100 0.075 0.000 0.997 92 G HN 0.141 nan 8.290 nan 0.000 0.572 93 K N 0.640 121.094 120.400 0.090 0.000 2.430 93 K HA 0.125 4.445 4.320 0.000 0.000 0.280 93 K C -0.859 175.827 176.600 0.143 0.000 1.063 93 K CA -0.306 56.048 56.287 0.111 0.000 1.071 93 K CB 0.388 32.928 32.500 0.067 0.000 0.899 93 K HN 0.232 nan 8.250 nan 0.000 0.473 94 F N 4.204 124.177 119.950 0.037 0.000 2.484 94 F HA 0.138 4.666 4.527 0.000 0.000 0.360 94 F C -0.124 175.713 175.800 0.063 0.000 1.101 94 F CA -0.499 57.523 58.000 0.037 0.000 1.251 94 F CB 0.552 39.589 39.000 0.062 0.000 1.132 94 F HN 0.702 nan 8.300 nan 0.000 0.570 95 N N 7.367 125.553 118.700 -0.857 0.000 2.558 95 N HA 0.018 4.759 4.740 0.000 0.000 0.242 95 N C 0.635 175.482 175.510 -1.104 0.000 0.979 95 N CA -0.582 52.039 53.050 -0.715 0.000 0.931 95 N CB 0.019 38.311 38.487 -0.325 0.000 1.122 95 N HN 0.892 nan 8.380 nan 0.000 0.508 96 W N 5.563 126.242 121.300 -1.036 0.000 2.335 96 W HA -0.195 4.465 4.660 0.000 0.000 0.311 96 W C 1.557 177.891 176.519 -0.309 0.000 1.213 96 W CA 1.735 58.714 57.345 -0.610 0.000 1.274 96 W CB 0.105 29.480 29.460 -0.142 0.000 1.148 96 W HN 0.708 nan 8.180 nan 0.000 0.498 97 R N 0.240 120.769 120.500 0.048 0.000 2.152 97 R HA -0.146 4.194 4.340 0.000 0.000 0.232 97 R C 1.881 178.143 176.300 -0.063 0.000 1.117 97 R CA 1.816 57.939 56.100 0.039 0.000 0.981 97 R CB -1.218 29.128 30.300 0.078 0.000 0.870 97 R HN 0.084 nan 8.270 nan 0.000 0.451 98 V N 1.580 121.412 119.914 -0.138 0.000 2.261 98 V HA -0.237 3.883 4.120 0.000 0.000 0.246 98 V C 2.328 178.353 176.094 -0.115 0.000 1.047 98 V CA 1.876 64.102 62.300 -0.124 0.000 1.015 98 V CB -0.437 31.291 31.823 -0.159 0.000 0.642 98 V HN 0.287 nan 8.190 nan 0.000 0.446 99 I N -0.300 120.174 120.570 -0.160 0.000 2.546 99 I HA -0.138 4.032 4.170 0.000 0.000 0.255 99 I C 2.372 178.408 176.117 -0.135 0.000 1.163 99 I CA 1.538 62.767 61.300 -0.117 0.000 1.457 99 I CB -0.449 37.521 38.000 -0.051 0.000 1.092 99 I HN 0.214 nan 8.210 nan 0.000 0.434 100 K N 0.440 120.729 120.400 -0.185 0.000 2.057 100 K HA -0.208 4.112 4.320 0.000 0.000 0.206 100 K C 1.925 178.511 176.600 -0.024 0.000 1.050 100 K CA 1.703 57.919 56.287 -0.118 0.000 0.935 100 K CB -0.103 32.384 32.500 -0.022 0.000 0.715 100 K HN 0.381 nan 8.250 nan 0.000 0.439 101 E N 0.375 120.563 120.200 -0.021 0.000 2.106 101 E HA -0.144 4.206 4.350 0.000 0.000 0.192 101 E C 1.938 178.540 176.600 0.002 0.000 0.984 101 E CA 1.193 57.592 56.400 -0.001 0.000 0.806 101 E CB 0.158 29.854 29.700 -0.007 0.000 0.750 101 E HN 0.267 nan 8.360 nan 0.000 0.458 102 K N 0.431 120.823 120.400 -0.014 0.000 2.097 102 K HA -0.106 4.214 4.320 0.000 0.000 0.205 102 K C 2.237 178.859 176.600 0.036 0.000 1.050 102 K CA 0.643 56.928 56.287 -0.004 0.000 0.938 102 K CB -0.057 32.422 32.500 -0.035 0.000 0.718 102 K HN -0.005 nan 8.250 nan 0.000 0.442 103 R N 1.288 121.807 120.500 0.032 0.000 2.066 103 R HA -0.140 4.200 4.340 0.000 0.000 0.232 103 R C 1.420 177.773 176.300 0.088 0.000 1.131 103 R CA 1.758 57.906 56.100 0.081 0.000 0.955 103 R CB -0.028 30.298 30.300 0.044 0.000 0.851 103 R HN 0.088 nan 8.270 nan 0.000 0.432 104 D N 0.429 120.859 120.400 0.051 0.000 2.149 104 D HA -0.146 4.494 4.640 0.000 0.000 0.198 104 D C 1.710 178.035 176.300 0.041 0.000 0.990 104 D CA 1.493 55.515 54.000 0.036 0.000 0.839 104 D CB -0.264 40.556 40.800 0.034 0.000 0.948 104 D HN 0.378 nan 8.370 nan 0.000 0.460 105 A N 0.270 123.126 122.820 0.060 0.000 1.883 105 A HA -0.240 4.080 4.320 0.000 0.000 0.217 105 A C 2.210 179.865 177.584 0.117 0.000 1.186 105 A CA 1.355 53.434 52.037 0.069 0.000 0.624 105 A CB -1.061 17.975 19.000 0.059 0.000 0.822 105 A HN 0.319 nan 8.150 nan 0.000 0.444 106 Y N 0.647 120.939 120.300 -0.015 0.000 2.224 106 Y HA -0.137 4.413 4.550 0.000 0.000 0.289 106 Y C 2.344 178.238 175.900 -0.011 0.000 1.146 106 Y CA 1.452 59.545 58.100 -0.012 0.000 1.182 106 Y CB -0.583 37.867 38.460 -0.017 0.000 0.983 106 Y HN 0.056 nan 8.280 nan 0.000 0.524 107 V N -0.635 119.219 119.914 -0.100 0.000 2.407 107 V HA -0.289 3.831 4.120 0.000 0.000 0.248 107 V C 2.444 178.461 176.094 -0.129 0.000 1.055 107 V CA 2.122 64.298 62.300 -0.206 0.000 1.049 107 V CB -0.856 30.885 31.823 -0.137 0.000 0.662 107 V HN 0.400 nan 8.190 nan 0.000 0.455 108 S N -0.566 115.104 115.700 -0.049 0.000 2.382 108 S HA -0.163 4.307 4.470 0.000 0.000 0.228 108 S C 2.067 176.661 174.600 -0.011 0.000 1.027 108 S CA 1.249 59.436 58.200 -0.022 0.000 0.991 108 S CB -0.281 62.921 63.200 0.004 0.000 0.823 108 S HN 0.542 nan 8.310 nan 0.000 0.469 109 R N 0.769 121.272 120.500 0.004 0.000 2.081 109 R HA -0.013 4.327 4.340 0.000 0.000 0.235 109 R C 2.194 178.496 176.300 0.004 0.000 1.131 109 R CA 1.116 57.233 56.100 0.027 0.000 0.960 109 R CB -0.588 29.771 30.300 0.098 0.000 0.856 109 R HN 0.382 nan 8.270 nan 0.000 0.436 110 L N 0.407 121.588 121.223 -0.070 0.000 2.056 110 L HA -0.154 4.186 4.340 0.000 0.000 0.207 110 L C 1.747 178.706 176.870 0.148 0.000 1.078 110 L CA 1.491 56.340 54.840 0.016 0.000 0.749 110 L CB -0.627 41.368 42.059 -0.106 0.000 0.901 110 L HN 0.259 nan 8.230 nan 0.000 0.433 111 N N 0.356 119.064 118.700 0.012 0.000 2.149 111 N HA -0.181 4.559 4.740 0.000 0.000 0.188 111 N C 1.905 177.461 175.510 0.077 0.000 1.019 111 N CA 1.184 54.243 53.050 0.015 0.000 0.857 111 N CB -0.220 38.243 38.487 -0.039 0.000 0.997 111 N HN 0.329 nan 8.380 nan 0.000 0.426 112 A N 0.844 123.694 122.820 0.050 0.000 1.968 112 A HA -0.019 4.301 4.320 0.000 0.000 0.217 112 A C 2.110 179.718 177.584 0.040 0.000 1.169 112 A CA 0.785 52.844 52.037 0.037 0.000 0.638 112 A CB -0.447 18.565 19.000 0.020 0.000 0.812 112 A HN 0.203 nan 8.150 nan 0.000 0.446 113 I N -1.927 118.673 120.570 0.051 0.000 2.315 113 I HA -0.248 3.922 4.170 0.000 0.000 0.248 113 I C 2.278 178.353 176.117 -0.071 0.000 1.117 113 I CA 1.271 62.558 61.300 -0.022 0.000 1.404 113 I CB -0.313 37.654 38.000 -0.054 0.000 1.071 113 I HN 0.394 nan 8.210 nan 0.000 0.419 114 Y N 0.621 120.889 120.300 -0.053 0.000 2.181 114 Y HA -0.295 4.255 4.550 0.000 0.000 0.288 114 Y C 2.765 178.633 175.900 -0.052 0.000 1.146 114 Y CA 1.671 59.738 58.100 -0.054 0.000 1.164 114 Y CB -0.455 37.970 38.460 -0.057 0.000 0.982 114 Y HN 0.192 nan 8.280 nan 0.000 0.515 115 Q N 0.344 120.212 119.800 0.114 0.000 2.050 115 Q HA -0.237 4.103 4.340 0.000 0.000 0.202 115 Q C 2.230 178.228 176.000 -0.004 0.000 0.980 115 Q CA 1.655 57.483 55.803 0.041 0.000 0.840 115 Q CB -0.308 28.445 28.738 0.025 0.000 0.898 115 Q HN 0.521 nan 8.270 nan 0.000 0.424 116 N N -0.185 118.505 118.700 -0.017 0.000 2.166 116 N HA -0.171 4.569 4.740 0.000 0.000 0.186 116 N C 1.206 176.671 175.510 -0.076 0.000 1.019 116 N CA 1.259 54.282 53.050 -0.045 0.000 0.856 116 N CB -0.095 38.365 38.487 -0.044 0.000 0.993 116 N HN 0.369 nan 8.380 nan 0.000 0.426 117 N N 0.310 118.954 118.700 -0.093 0.000 2.244 117 N HA -0.068 4.673 4.740 0.000 0.000 0.183 117 N C 1.820 177.270 175.510 -0.100 0.000 1.016 117 N CA 0.475 53.454 53.050 -0.119 0.000 0.866 117 N CB 0.115 38.497 38.487 -0.175 0.000 0.980 117 N HN 0.233 nan 8.380 nan 0.000 0.430 118 L N 0.484 121.668 121.223 -0.066 0.000 2.044 118 L HA -0.139 4.201 4.340 0.000 0.000 0.205 118 L C 2.904 179.715 176.870 -0.099 0.000 1.075 118 L CA 1.389 56.192 54.840 -0.062 0.000 0.747 118 L CB -1.050 40.990 42.059 -0.032 0.000 0.903 118 L HN 0.400 nan 8.230 nan 0.000 0.435 119 T N -2.112 112.385 114.554 -0.095 0.000 2.684 119 T HA -0.253 4.097 4.350 0.000 0.000 0.267 119 T C 1.812 176.361 174.700 -0.252 0.000 1.036 119 T CA 1.262 63.291 62.100 -0.118 0.000 1.148 119 T CB -0.297 68.530 68.868 -0.068 0.000 0.863 119 T HN 0.221 nan 8.240 nan 0.000 0.436 120 K N 0.881 121.139 120.400 -0.236 0.000 2.280 120 K HA 0.061 4.381 4.320 0.000 0.000 0.202 120 K C 2.371 178.651 176.600 -0.532 0.000 1.047 120 K CA 1.261 57.356 56.287 -0.320 0.000 0.942 120 K CB -0.108 32.288 32.500 -0.173 0.000 0.739 120 K HN 0.318 nan 8.250 nan 0.000 0.457 121 S N -0.550 114.915 115.700 -0.392 0.000 2.548 121 S HA 0.027 4.497 4.470 0.000 0.000 0.215 121 S C -0.486 173.986 174.600 -0.213 0.000 0.976 121 S CA -0.064 57.983 58.200 -0.256 0.000 0.908 121 S CB -0.069 63.064 63.200 -0.111 0.000 0.781 121 S HN 0.404 nan 8.310 nan 0.000 0.519 122 H N -0.499 118.564 119.070 -0.011 0.000 2.903 122 H HA -0.121 4.435 4.556 0.000 0.000 0.285 122 H C -0.462 174.869 175.328 0.006 0.000 1.231 122 H CA 0.467 56.516 56.048 0.001 0.000 1.135 122 H CB -2.216 27.548 29.762 0.004 0.000 1.328 122 H HN 0.353 nan 8.280 nan 0.000 0.388 123 I N 1.064 121.643 120.570 0.015 0.000 2.365 123 I HA 0.110 4.281 4.170 0.000 0.000 0.291 123 I C 0.913 177.027 176.117 -0.005 0.000 1.004 123 I CA -0.183 61.120 61.300 0.004 0.000 1.311 123 I CB 1.247 39.226 38.000 -0.035 0.000 1.401 123 I HN 0.259 nan 8.210 nan 0.000 0.491 124 E N 6.187 126.382 120.200 -0.010 0.000 2.313 124 E HA 0.388 4.738 4.350 0.000 0.000 0.276 124 E C -1.069 175.468 176.600 -0.104 0.000 1.031 124 E CA -0.404 55.982 56.400 -0.023 0.000 0.857 124 E CB 0.855 30.571 29.700 0.026 0.000 1.040 124 E HN 0.396 nan 8.360 nan 0.000 0.408 125 I N 5.700 126.222 120.570 -0.079 0.000 2.339 125 I HA 0.271 4.441 4.170 0.000 0.000 0.290 125 I C -0.398 175.646 176.117 -0.121 0.000 0.994 125 I CA -0.368 60.869 61.300 -0.106 0.000 1.191 125 I CB 1.174 39.133 38.000 -0.068 0.000 1.343 125 I HN 0.464 nan 8.210 nan 0.000 0.458 126 I N 6.481 126.937 120.570 -0.189 0.000 2.328 126 I HA 0.354 4.524 4.170 0.000 0.000 0.287 126 I C 0.096 176.116 176.117 -0.161 0.000 1.012 126 I CA -0.646 60.529 61.300 -0.208 0.000 1.195 126 I CB 0.951 38.703 38.000 -0.412 0.000 1.350 126 I HN 0.467 nan 8.210 nan 0.000 0.464 127 R N 4.268 124.707 120.500 -0.101 0.000 2.265 127 R HA 0.733 5.073 4.340 0.000 0.000 0.314 127 R C 0.155 176.407 176.300 -0.080 0.000 1.053 127 R CA 0.125 56.172 56.100 -0.088 0.000 0.931 127 R CB 1.324 31.585 30.300 -0.065 0.000 1.024 127 R HN 0.905 nan 8.270 nan 0.000 0.457 128 G N 0.898 109.642 108.800 -0.094 0.000 2.369 128 G HA2 -0.054 3.906 3.960 0.000 0.000 0.295 128 G HA3 -0.054 3.906 3.960 0.000 0.000 0.295 128 G C -1.933 172.942 174.900 -0.042 0.000 1.298 128 G CA -1.005 44.061 45.100 -0.057 0.000 0.940 128 G HN 0.692 nan 8.290 nan 0.000 0.536 129 H N 0.186 119.209 119.070 -0.077 0.000 2.519 129 H HA 0.770 5.326 4.556 0.000 0.000 0.316 129 H C 0.433 175.726 175.328 -0.058 0.000 1.065 129 H CA 0.446 56.460 56.048 -0.057 0.000 1.264 129 H CB 1.052 30.797 29.762 -0.028 0.000 1.413 129 H HN 0.924 nan 8.280 nan 0.000 0.465 130 A N 3.931 126.422 122.820 -0.549 0.000 2.302 130 A HA 0.798 5.118 4.320 0.000 0.000 0.285 130 A C -0.643 176.688 177.584 -0.421 0.000 1.105 130 A CA 0.025 51.832 52.037 -0.383 0.000 0.816 130 A CB 0.380 19.154 19.000 -0.376 0.000 1.067 130 A HN 0.980 nan 8.150 nan 0.000 0.489 131 A N 0.524 123.207 122.820 -0.229 0.000 2.566 131 A HA 0.651 4.971 4.320 0.000 0.000 0.297 131 A C -0.935 176.548 177.584 -0.169 0.000 1.059 131 A CA -0.612 51.352 52.037 -0.121 0.000 0.691 131 A CB 0.450 19.508 19.000 0.097 0.000 1.282 131 A HN 0.649 nan 8.150 nan 0.000 0.401 132 F N 1.404 121.374 119.950 0.034 0.000 2.450 132 F HA 0.446 4.973 4.527 0.000 0.000 0.339 132 F C 1.725 177.549 175.800 0.041 0.000 1.146 132 F CA 1.220 59.240 58.000 0.034 0.000 1.267 132 F CB 1.226 40.240 39.000 0.024 0.000 1.178 132 F HN 0.681 nan 8.300 nan 0.000 0.585 133 T N -2.395 112.313 114.554 0.257 0.000 2.923 133 T HA 0.295 4.645 4.350 0.000 0.000 0.281 133 T C 0.942 175.724 174.700 0.137 0.000 0.995 133 T CA -0.240 61.953 62.100 0.155 0.000 0.985 133 T CB 1.257 70.187 68.868 0.104 0.000 1.114 133 T HN 0.504 nan 8.240 nan 0.000 0.548 134 S N -0.227 115.526 115.700 0.088 0.000 2.447 134 S HA -0.031 4.439 4.470 0.000 0.000 0.233 134 S C 0.494 175.124 174.600 0.050 0.000 1.006 134 S CA 0.146 58.381 58.200 0.059 0.000 0.957 134 S CB -0.684 62.543 63.200 0.044 0.000 0.773 134 S HN 0.776 nan 8.310 nan 0.000 0.507 135 D N 3.497 123.933 120.400 0.060 0.000 2.548 135 D HA 0.040 4.681 4.640 0.000 0.000 0.231 135 D C -1.398 174.929 176.300 0.044 0.000 1.142 135 D CA -0.675 53.355 54.000 0.050 0.000 0.866 135 D CB 0.410 41.244 40.800 0.056 0.000 1.190 135 D HN 0.116 nan 8.370 nan 0.000 0.469 136 P HA -0.158 nan 4.420 nan 0.000 0.205 136 P C 0.250 177.564 177.300 0.023 0.000 1.181 136 P CA 1.338 64.449 63.100 0.019 0.000 0.933 136 P CB -0.048 31.661 31.700 0.015 0.000 0.775 137 K N 1.206 121.623 120.400 0.029 0.000 2.412 137 K HA 0.172 4.492 4.320 0.000 0.000 0.281 137 K C -2.343 174.295 176.600 0.064 0.000 1.027 137 K CA -1.664 54.644 56.287 0.035 0.000 0.989 137 K CB -0.561 31.959 32.500 0.033 0.000 0.935 137 K HN 0.011 nan 8.250 nan 0.000 0.475 138 P HA -0.050 nan 4.420 nan 0.000 0.256 138 P C -1.071 176.343 177.300 0.189 0.000 1.173 138 P CA 0.298 63.480 63.100 0.136 0.000 0.768 138 P CB 0.493 32.262 31.700 0.115 0.000 0.758 139 T N 4.203 118.893 114.554 0.227 0.000 2.912 139 T HA 0.639 4.989 4.350 0.000 0.000 0.299 139 T C 0.151 174.952 174.700 0.168 0.000 1.052 139 T CA -0.555 61.650 62.100 0.175 0.000 0.996 139 T CB 0.928 69.865 68.868 0.116 0.000 1.070 139 T HN 0.305 nan 8.240 nan 0.000 0.465 140 I N -0.593 120.027 120.570 0.084 0.000 2.750 140 I HA 0.827 4.997 4.170 0.000 0.000 0.308 140 I C -0.510 175.658 176.117 0.086 0.000 1.016 140 I CA -0.870 60.411 61.300 -0.031 0.000 1.098 140 I CB 2.129 39.992 38.000 -0.229 0.000 1.279 140 I HN 0.517 nan 8.210 nan 0.000 0.454 141 E N 3.133 123.366 120.200 0.054 0.000 2.234 141 E HA 0.623 4.973 4.350 0.000 0.000 0.266 141 E C -1.822 174.844 176.600 0.111 0.000 0.877 141 E CA -0.795 55.668 56.400 0.105 0.000 0.758 141 E CB 2.497 32.237 29.700 0.067 0.000 1.170 141 E HN 0.592 nan 8.360 nan 0.000 0.415 142 V N 3.263 123.297 119.914 0.201 0.000 2.462 142 V HA 0.195 4.315 4.120 0.000 0.000 0.288 142 V C -0.048 176.138 176.094 0.152 0.000 1.020 142 V CA -0.712 61.672 62.300 0.139 0.000 0.857 142 V CB 1.336 33.201 31.823 0.069 0.000 1.013 142 V HN 0.874 nan 8.190 nan 0.000 0.431 143 S N 3.724 119.482 115.700 0.097 0.000 3.749 143 S HA -0.176 4.294 4.470 0.000 0.000 0.348 143 S C 1.496 176.134 174.600 0.063 0.000 1.045 143 S CA 1.490 59.733 58.200 0.072 0.000 1.051 143 S CB -1.234 62.005 63.200 0.066 0.000 0.898 143 S HN 2.293 nan 8.310 nan 0.000 0.472 144 G N -0.180 108.654 108.800 0.056 0.000 2.267 144 G HA2 -0.324 3.637 3.960 0.000 0.000 0.257 144 G HA3 -0.324 3.637 3.960 0.000 0.000 0.257 144 G C -0.052 174.851 174.900 0.005 0.000 0.998 144 G CA 0.761 45.879 45.100 0.029 0.000 0.620 144 G HN 0.647 nan 8.290 nan 0.000 0.529 145 K N 0.793 121.201 120.400 0.013 0.000 2.098 145 K HA 0.527 4.847 4.320 0.000 0.000 0.261 145 K C 0.087 176.554 176.600 -0.221 0.000 0.987 145 K CA -0.491 55.719 56.287 -0.129 0.000 0.916 145 K CB 1.396 33.786 32.500 -0.183 0.000 1.039 145 K HN 0.129 nan 8.250 nan 0.000 0.455 146 K N 1.955 122.130 120.400 -0.375 0.000 2.123 146 K HA 0.383 4.704 4.320 0.000 0.000 0.259 146 K C -0.940 175.290 176.600 -0.617 0.000 0.960 146 K CA -0.596 55.518 56.287 -0.288 0.000 0.872 146 K CB 1.000 33.424 32.500 -0.126 0.000 1.079 146 K HN 0.437 nan 8.250 nan 0.000 0.440 147 Y N -0.733 119.601 120.300 0.056 0.000 2.534 147 Y HA 0.351 4.902 4.550 0.000 0.000 0.345 147 Y C 0.202 176.164 175.900 0.103 0.000 1.031 147 Y CA -0.783 57.380 58.100 0.105 0.000 1.022 147 Y CB 2.591 41.106 38.460 0.093 0.000 1.292 147 Y HN 0.500 nan 8.280 nan 0.000 0.459 148 T N 1.000 115.735 114.554 0.302 0.000 2.843 148 T HA 0.917 5.268 4.350 0.000 0.000 0.302 148 T C -1.764 173.088 174.700 0.253 0.000 1.232 148 T CA -0.341 61.892 62.100 0.221 0.000 1.009 148 T CB 1.378 70.331 68.868 0.142 0.000 1.254 148 T HN 1.070 nan 8.240 nan 0.000 0.504 149 A N 2.863 125.812 122.820 0.215 0.000 2.605 149 A HA 0.738 5.058 4.320 0.000 0.000 0.294 149 A C -2.539 175.141 177.584 0.160 0.000 1.062 149 A CA -1.067 51.112 52.037 0.237 0.000 0.682 149 A CB 1.043 20.242 19.000 0.332 0.000 1.278 149 A HN 0.552 nan 8.150 nan 0.000 0.410 150 P HA 0.029 nan 4.420 nan 0.000 0.229 150 P C -0.173 176.952 177.300 -0.292 0.000 1.160 150 P CA 1.259 64.278 63.100 -0.136 0.000 0.777 150 P CB 0.002 31.540 31.700 -0.269 0.000 0.814 151 H N -0.315 118.980 119.070 0.375 0.000 2.823 151 H HA 0.433 4.989 4.556 0.000 0.000 0.332 151 H C -0.245 175.426 175.328 0.572 0.000 0.980 151 H CA -0.636 55.754 56.048 0.569 0.000 1.286 151 H CB 1.688 31.811 29.762 0.602 0.000 1.541 151 H HN -0.020 nan 8.280 nan 0.000 0.521 152 I N 4.033 124.936 120.570 0.556 0.000 2.436 152 I HA 0.141 4.312 4.170 0.000 0.000 0.289 152 I C -0.562 175.778 176.117 0.371 0.000 1.010 152 I CA -0.895 60.607 61.300 0.336 0.000 1.098 152 I CB 2.415 40.576 38.000 0.269 0.000 1.266 152 I HN 0.210 nan 8.210 nan 0.000 0.434 153 L N 8.149 129.470 121.223 0.165 0.000 2.296 153 L HA 0.579 4.919 4.340 0.000 0.000 0.286 153 L C -0.782 176.145 176.870 0.095 0.000 1.023 153 L CA 0.000 54.951 54.840 0.185 0.000 0.812 153 L CB 1.092 43.188 42.059 0.061 0.000 1.223 153 L HN 0.405 nan 8.230 nan 0.000 0.421 154 I N 5.814 126.478 120.570 0.157 0.000 2.315 154 I HA 0.516 4.686 4.170 0.000 0.000 0.291 154 I C 0.332 176.502 176.117 0.089 0.000 1.006 154 I CA -0.074 61.295 61.300 0.117 0.000 1.265 154 I CB 1.456 39.563 38.000 0.178 0.000 1.387 154 I HN 0.830 nan 8.210 nan 0.000 0.475 155 A N 3.529 126.373 122.820 0.041 0.000 3.234 155 A HA 0.244 4.564 4.320 0.000 0.000 0.247 155 A C 0.799 178.399 177.584 0.026 0.000 0.938 155 A CA -0.362 51.701 52.037 0.044 0.000 1.039 155 A CB -0.353 18.665 19.000 0.031 0.000 1.197 155 A HN 0.726 nan 8.150 nan 0.000 0.498 156 T N -2.628 111.946 114.554 0.033 0.000 3.148 156 T HA 0.430 4.780 4.350 0.000 0.000 0.253 156 T C 1.343 176.065 174.700 0.037 0.000 1.134 156 T CA 0.942 63.056 62.100 0.023 0.000 1.051 156 T CB -0.332 68.549 68.868 0.022 0.000 0.959 156 T HN 2.036 nan 8.240 nan 0.000 0.525 157 G N 0.364 109.195 108.800 0.051 0.000 2.601 157 G HA2 0.226 4.186 3.960 0.000 0.000 0.261 157 G HA3 0.226 4.186 3.960 0.000 0.000 0.261 157 G C 0.072 175.013 174.900 0.067 0.000 1.289 157 G CA -0.326 44.808 45.100 0.057 0.000 0.920 157 G HN 1.245 nan 8.290 nan 0.000 0.571 158 G N -2.640 106.197 108.800 0.062 0.000 2.975 158 G HA2 0.842 4.802 3.960 0.000 0.000 0.291 158 G HA3 0.842 4.802 3.960 0.000 0.000 0.291 158 G C -0.799 174.126 174.900 0.041 0.000 1.334 158 G CA -0.190 44.947 45.100 0.062 0.000 0.843 158 G HN 1.006 nan 8.290 nan 0.000 0.548 159 M N 0.045 119.668 119.600 0.038 0.000 2.622 159 M HA 0.408 4.888 4.480 0.000 0.000 0.276 159 M C -2.811 173.507 176.300 0.031 0.000 1.265 159 M CA -1.528 53.788 55.300 0.026 0.000 0.850 159 M CB 3.193 35.798 32.600 0.009 0.000 1.720 159 M HN 0.185 nan 8.290 nan 0.000 0.465 160 P HA 0.116 nan 4.420 nan 0.000 0.271 160 P C -0.949 176.355 177.300 0.006 0.000 1.216 160 P CA -0.198 62.922 63.100 0.033 0.000 0.776 160 P CB 0.809 32.539 31.700 0.050 0.000 0.881 161 S N 1.682 117.381 115.700 -0.001 0.000 2.562 161 S HA 0.571 5.041 4.470 0.000 0.000 0.275 161 S C -0.264 174.276 174.600 -0.100 0.000 1.281 161 S CA -0.197 57.976 58.200 -0.046 0.000 1.045 161 S CB -0.256 62.927 63.200 -0.028 0.000 0.962 161 S HN 0.569 nan 8.310 nan 0.000 0.503 162 T N 2.546 116.977 114.554 -0.205 0.000 2.900 162 T HA 0.709 5.059 4.350 0.000 0.000 0.295 162 T C -3.116 171.277 174.700 -0.513 0.000 1.044 162 T CA -1.833 60.030 62.100 -0.394 0.000 0.995 162 T CB 1.153 69.835 68.868 -0.311 0.000 1.072 162 T HN 0.410 nan 8.240 nan 0.000 0.473 163 P HA 0.265 nan 4.420 nan 0.000 0.274 163 P C -0.319 176.715 177.300 -0.442 0.000 1.231 163 P CA -0.400 62.360 63.100 -0.566 0.000 0.790 163 P CB 0.267 31.523 31.700 -0.740 0.000 0.951 164 H N 1.215 120.160 119.070 -0.207 0.000 2.683 164 H HA 0.031 4.587 4.556 0.000 0.000 0.339 164 H C 1.068 176.335 175.328 -0.102 0.000 1.081 164 H CA 0.175 56.147 56.048 -0.126 0.000 1.432 164 H CB 1.165 30.873 29.762 -0.090 0.000 1.462 164 H HN 0.534 nan 8.280 nan 0.000 0.557 165 E N 1.566 121.780 120.200 0.023 0.000 2.160 165 E HA -0.187 4.163 4.350 0.000 0.000 0.195 165 E C 2.036 178.660 176.600 0.041 0.000 0.991 165 E CA 1.564 57.979 56.400 0.025 0.000 0.810 165 E CB 0.171 29.886 29.700 0.025 0.000 0.742 165 E HN 0.665 nan 8.360 nan 0.000 0.466 166 S N -0.077 115.662 115.700 0.065 0.000 2.382 166 S HA -0.307 4.163 4.470 0.000 0.000 0.228 166 S C 2.059 176.672 174.600 0.021 0.000 1.027 166 S CA 1.429 59.649 58.200 0.032 0.000 0.991 166 S CB -0.361 62.843 63.200 0.006 0.000 0.823 166 S HN 0.492 nan 8.310 nan 0.000 0.469 167 Q N 0.531 120.350 119.800 0.030 0.000 2.259 167 Q HA 0.350 4.691 4.340 0.000 0.000 0.201 167 Q C 0.395 176.404 176.000 0.015 0.000 0.938 167 Q CA 0.546 56.357 55.803 0.013 0.000 0.872 167 Q CB 0.002 28.743 28.738 0.004 0.000 0.971 167 Q HN 0.618 nan 8.270 nan 0.000 0.494 168 I N 2.551 123.127 120.570 0.010 0.000 2.521 168 I HA 0.390 4.560 4.170 0.000 0.000 0.277 168 I C -2.539 173.607 176.117 0.049 0.000 1.054 168 I CA -2.831 58.490 61.300 0.035 0.000 1.117 168 I CB 2.073 40.091 38.000 0.029 0.000 1.217 168 I HN 0.006 nan 8.210 nan 0.000 0.469 169 P HA 0.128 nan 4.420 nan 0.000 0.267 169 P C 0.911 178.256 177.300 0.074 0.000 1.205 169 P CA 0.652 63.783 63.100 0.051 0.000 0.765 169 P CB 0.744 32.468 31.700 0.040 0.000 0.828 170 G N 2.841 111.684 108.800 0.070 0.000 2.141 170 G HA2 -0.283 3.678 3.960 0.000 0.000 0.242 170 G HA3 -0.283 3.678 3.960 0.000 0.000 0.242 170 G C 1.100 176.092 174.900 0.153 0.000 0.982 170 G CA 0.294 45.447 45.100 0.089 0.000 0.662 170 G HN 0.655 nan 8.290 nan 0.000 0.527 171 A N 0.745 123.660 122.820 0.159 0.000 1.972 171 A HA 0.181 4.501 4.320 0.000 0.000 0.219 171 A C 2.622 180.392 177.584 0.309 0.000 1.169 171 A CA 2.592 54.796 52.037 0.279 0.000 0.635 171 A CB -0.680 18.279 19.000 -0.067 0.000 0.810 171 A HN 1.809 nan 8.150 nan 0.000 0.446 172 S N -0.389 115.391 115.700 0.134 0.000 2.595 172 S HA 0.061 4.531 4.470 0.000 0.000 0.235 172 S C 1.432 176.104 174.600 0.120 0.000 0.974 172 S CA 0.934 59.197 58.200 0.105 0.000 0.942 172 S CB -0.575 62.647 63.200 0.038 0.000 0.766 172 S HN 0.473 nan 8.310 nan 0.000 0.536 173 L N 0.926 122.229 121.223 0.134 0.000 2.492 173 L HA 0.278 4.618 4.340 0.000 0.000 0.223 173 L C 1.561 178.474 176.870 0.072 0.000 1.132 173 L CA 0.133 55.021 54.840 0.081 0.000 0.850 173 L CB -0.640 41.451 42.059 0.054 0.000 0.966 173 L HN 0.453 nan 8.230 nan 0.000 0.454 174 G N 0.391 109.287 108.800 0.160 0.000 2.477 174 G HA2 0.585 4.546 3.960 0.000 0.000 0.304 174 G HA3 0.585 4.546 3.960 0.000 0.000 0.304 174 G C -0.424 174.552 174.900 0.125 0.000 1.175 174 G CA -0.510 44.606 45.100 0.027 0.000 0.907 174 G HN 0.108 nan 8.290 nan 0.000 0.509 175 I N -1.791 118.801 120.570 0.037 0.000 3.100 175 I HA 0.869 5.039 4.170 0.000 0.000 0.312 175 I C 0.431 176.628 176.117 0.134 0.000 1.063 175 I CA -0.949 60.405 61.300 0.091 0.000 1.031 175 I CB 2.294 40.319 38.000 0.042 0.000 1.243 175 I HN 0.605 nan 8.210 nan 0.000 0.483 176 T N -1.668 112.964 114.554 0.129 0.000 2.841 176 T HA 0.305 4.656 4.350 0.000 0.000 0.276 176 T C 1.056 175.808 174.700 0.087 0.000 1.003 176 T CA -0.023 62.151 62.100 0.123 0.000 0.995 176 T CB 1.116 70.054 68.868 0.117 0.000 1.260 176 T HN 0.822 nan 8.240 nan 0.000 0.581 177 S N 0.078 115.813 115.700 0.058 0.000 2.419 177 S HA -0.175 4.295 4.470 0.000 0.000 0.235 177 S C 1.255 175.944 174.600 0.148 0.000 1.019 177 S CA 1.476 59.693 58.200 0.028 0.000 0.982 177 S CB -0.935 62.269 63.200 0.007 0.000 0.789 177 S HN 0.715 nan 8.310 nan 0.000 0.490 178 D N 2.274 122.780 120.400 0.177 0.000 2.097 178 D HA 0.009 4.649 4.640 0.000 0.000 0.195 178 D C 2.216 178.639 176.300 0.204 0.000 0.989 178 D CA 1.481 55.618 54.000 0.227 0.000 0.827 178 D CB -1.108 39.776 40.800 0.141 0.000 0.966 178 D HN 0.563 nan 8.370 nan 0.000 0.456 179 G N -0.093 108.788 108.800 0.135 0.000 2.443 179 G HA2 -0.256 3.704 3.960 0.000 0.000 0.219 179 G HA3 -0.256 3.704 3.960 0.000 0.000 0.219 179 G C 1.460 176.409 174.900 0.081 0.000 1.131 179 G CA 0.195 45.354 45.100 0.098 0.000 0.775 179 G HN 0.263 nan 8.290 nan 0.000 0.547 180 F N 0.861 120.746 119.950 -0.109 0.000 2.161 180 F HA 0.003 4.530 4.527 0.000 0.000 0.300 180 F C 1.814 177.499 175.800 -0.193 0.000 1.089 180 F CA 1.042 58.911 58.000 -0.217 0.000 1.282 180 F CB -0.073 38.671 39.000 -0.426 0.000 1.010 180 F HN 0.104 nan 8.300 nan 0.000 0.485 181 F N 0.385 120.452 119.950 0.196 0.000 2.748 181 F HA 0.036 4.563 4.527 0.000 0.000 0.299 181 F C 2.072 177.908 175.800 0.060 0.000 1.154 181 F CA 0.631 58.699 58.000 0.114 0.000 1.446 181 F CB -0.631 38.469 39.000 0.166 0.000 1.112 181 F HN 0.141 nan 8.300 nan 0.000 0.584 182 Q N -0.336 119.561 119.800 0.161 0.000 2.352 182 Q HA 0.171 4.511 4.340 0.000 0.000 0.212 182 Q C 0.614 176.650 176.000 0.060 0.000 0.888 182 Q CA -0.019 55.851 55.803 0.111 0.000 0.934 182 Q CB 0.572 29.360 28.738 0.083 0.000 1.093 182 Q HN 0.310 nan 8.270 nan 0.000 0.523 183 L N 1.855 123.077 121.223 -0.001 0.000 2.514 183 L HA -0.062 4.278 4.340 0.000 0.000 0.280 183 L C 1.284 178.182 176.870 0.046 0.000 1.223 183 L CA 0.595 55.379 54.840 -0.094 0.000 0.864 183 L CB 0.333 42.200 42.059 -0.319 0.000 1.118 183 L HN 0.179 nan 8.230 nan 0.000 0.494 184 E N 1.389 121.540 120.200 -0.081 0.000 2.447 184 E HA 0.110 4.460 4.350 0.000 0.000 0.204 184 E C -0.341 176.186 176.600 -0.121 0.000 0.977 184 E CA 0.161 56.577 56.400 0.027 0.000 0.950 184 E CB 0.906 30.611 29.700 0.008 0.000 0.975 184 E HN 0.616 nan 8.360 nan 0.000 0.496 185 E N 0.981 120.878 120.200 -0.504 0.000 2.369 185 E HA 0.298 4.648 4.350 0.000 0.000 0.270 185 E C -0.844 175.103 176.600 -1.089 0.000 0.909 185 E CA -1.060 54.993 56.400 -0.578 0.000 0.775 185 E CB 2.172 31.708 29.700 -0.273 0.000 1.270 185 E HN -0.098 nan 8.360 nan 0.000 0.445 186 L N 2.928 123.685 121.223 -0.778 0.000 2.369 186 L HA 0.257 4.597 4.340 0.000 0.000 0.279 186 L C -2.363 174.273 176.870 -0.390 0.000 1.108 186 L CA -1.126 53.309 54.840 -0.675 0.000 0.852 186 L CB 0.018 42.104 42.059 0.044 0.000 1.169 186 L HN 0.221 nan 8.230 nan 0.000 0.452 187 P HA 0.171 nan 4.420 nan 0.000 0.268 187 P C 0.594 177.820 177.300 -0.124 0.000 1.205 187 P CA -0.081 62.884 63.100 -0.224 0.000 0.771 187 P CB 0.972 32.556 31.700 -0.193 0.000 0.858 188 G N 2.311 111.055 108.800 -0.093 0.000 2.402 188 G HA2 -0.132 3.828 3.960 0.000 0.000 0.216 188 G HA3 -0.132 3.828 3.960 0.000 0.000 0.216 188 G C 0.549 175.424 174.900 -0.042 0.000 1.162 188 G CA 0.582 45.650 45.100 -0.054 0.000 0.777 188 G HN 0.503 nan 8.290 nan 0.000 0.539 189 R N 0.221 120.689 120.500 -0.053 0.000 2.532 189 R HA 0.520 4.860 4.340 0.000 0.000 0.297 189 R C -1.255 175.009 176.300 -0.059 0.000 0.984 189 R CA -0.309 55.762 56.100 -0.047 0.000 0.884 189 R CB 1.618 31.890 30.300 -0.046 0.000 1.182 189 R HN 0.155 nan 8.270 nan 0.000 0.442 190 S N 1.700 117.369 115.700 -0.052 0.000 2.536 190 S HA 0.737 5.207 4.470 0.000 0.000 0.287 190 S C -1.125 173.432 174.600 -0.071 0.000 1.101 190 S CA -0.856 57.307 58.200 -0.062 0.000 0.950 190 S CB 2.091 65.269 63.200 -0.038 0.000 1.056 190 S HN 0.253 nan 8.310 nan 0.000 0.481 191 V N 2.738 122.589 119.914 -0.105 0.000 2.483 191 V HA 0.489 4.609 4.120 0.000 0.000 0.297 191 V C -0.936 175.062 176.094 -0.160 0.000 1.027 191 V CA -0.530 61.696 62.300 -0.123 0.000 0.855 191 V CB 1.308 33.046 31.823 -0.141 0.000 0.995 191 V HN 0.906 nan 8.190 nan 0.000 0.424 192 I N 5.059 125.553 120.570 -0.126 0.000 2.377 192 I HA 0.481 4.651 4.170 0.000 0.000 0.293 192 I C -0.329 175.715 176.117 -0.121 0.000 0.987 192 I CA -0.520 60.702 61.300 -0.130 0.000 1.185 192 I CB 2.000 39.945 38.000 -0.092 0.000 1.341 192 I HN 0.287 nan 8.210 nan 0.000 0.455 193 V N 5.554 125.391 119.914 -0.127 0.000 2.357 193 V HA 0.942 5.062 4.120 0.000 0.000 0.284 193 V C 0.340 176.462 176.094 0.047 0.000 1.018 193 V CA -0.341 61.937 62.300 -0.038 0.000 0.841 193 V CB 0.665 32.473 31.823 -0.025 0.000 0.991 193 V HN 1.027 nan 8.190 nan 0.000 0.437 194 G N 3.578 112.398 108.800 0.032 0.000 2.321 194 G HA2 0.508 4.469 3.960 0.000 0.000 0.339 194 G HA3 0.508 4.469 3.960 0.000 0.000 0.339 194 G C -0.342 174.560 174.900 0.004 0.000 1.518 194 G CA 0.030 45.152 45.100 0.038 0.000 0.994 194 G HN 1.136 nan 8.290 nan 0.000 0.668 195 A N -0.403 122.423 122.820 0.010 0.000 2.571 195 A HA 0.770 5.090 4.320 0.000 0.000 0.274 195 A C 1.183 178.760 177.584 -0.012 0.000 1.196 195 A CA 1.282 53.313 52.037 -0.009 0.000 0.957 195 A CB 0.022 19.023 19.000 0.001 0.000 1.150 195 A HN 2.035 nan 8.150 nan 0.000 0.539 196 G N -1.465 107.336 108.800 0.002 0.000 2.537 196 G HA2 0.351 4.311 3.960 0.000 0.000 0.297 196 G HA3 0.351 4.311 3.960 0.000 0.000 0.297 196 G C 0.700 175.604 174.900 0.006 0.000 1.310 196 G CA 0.095 45.219 45.100 0.041 0.000 1.027 196 G HN 0.575 nan 8.290 nan 0.000 0.505 197 Y N -0.865 119.426 120.300 -0.014 0.000 2.165 197 Y HA -0.114 4.436 4.550 0.000 0.000 0.286 197 Y C 2.287 178.177 175.900 -0.016 0.000 1.155 197 Y CA 1.602 59.681 58.100 -0.036 0.000 1.164 197 Y CB -0.470 37.999 38.460 0.016 0.000 0.978 197 Y HN 0.219 nan 8.280 nan 0.000 0.513 198 I N 0.925 121.016 120.570 -0.800 0.000 2.252 198 I HA -0.257 3.913 4.170 0.000 0.000 0.245 198 I C 2.841 178.789 176.117 -0.282 0.000 1.102 198 I CA 1.190 62.126 61.300 -0.607 0.000 1.385 198 I CB -0.703 36.954 38.000 -0.571 0.000 1.064 198 I HN 0.451 nan 8.210 nan 0.000 0.414 199 A N 0.445 123.147 122.820 -0.196 0.000 1.865 199 A HA -0.176 4.144 4.320 0.000 0.000 0.217 199 A C 2.435 179.962 177.584 -0.095 0.000 1.191 199 A CA 1.893 53.857 52.037 -0.121 0.000 0.623 199 A CB -1.062 17.894 19.000 -0.073 0.000 0.826 199 A HN 0.222 nan 8.150 nan 0.000 0.444 200 V N 0.176 120.045 119.914 -0.074 0.000 2.287 200 V HA -0.301 3.819 4.120 0.000 0.000 0.248 200 V C 2.469 178.563 176.094 0.001 0.000 1.053 200 V CA 2.447 64.726 62.300 -0.035 0.000 1.027 200 V CB -0.866 30.933 31.823 -0.041 0.000 0.646 200 V HN 0.654 nan 8.190 nan 0.000 0.447 201 E N -0.628 119.567 120.200 -0.008 0.000 2.072 201 E HA -0.190 4.160 4.350 0.000 0.000 0.191 201 E C 2.305 178.903 176.600 -0.003 0.000 0.985 201 E CA 1.342 57.771 56.400 0.048 0.000 0.801 201 E CB -0.176 29.567 29.700 0.071 0.000 0.750 201 E HN 0.466 nan 8.360 nan 0.000 0.452 202 M N 0.305 119.817 119.600 -0.147 0.000 2.132 202 M HA -0.061 4.419 4.480 0.000 0.000 0.263 202 M C 2.561 178.804 176.300 -0.096 0.000 1.065 202 M CA 1.086 56.223 55.300 -0.272 0.000 1.122 202 M CB -0.803 31.553 32.600 -0.407 0.000 1.365 202 M HN 0.090 nan 8.290 nan 0.000 0.411 203 A N 0.886 123.677 122.820 -0.050 0.000 1.908 203 A HA -0.054 4.266 4.320 0.000 0.000 0.218 203 A C 2.453 180.063 177.584 0.044 0.000 1.181 203 A CA 2.091 54.124 52.037 -0.005 0.000 0.627 203 A CB -1.490 17.502 19.000 -0.014 0.000 0.818 203 A HN 0.534 nan 8.150 nan 0.000 0.445 204 G N -0.208 108.653 108.800 0.102 0.000 2.418 204 G HA2 -0.150 3.810 3.960 0.000 0.000 0.217 204 G HA3 -0.150 3.810 3.960 0.000 0.000 0.217 204 G C 1.524 176.509 174.900 0.142 0.000 1.158 204 G CA 1.113 46.329 45.100 0.194 0.000 0.771 204 G HN 0.475 nan 8.290 nan 0.000 0.545 205 I N 0.207 120.900 120.570 0.205 0.000 2.163 205 I HA -0.091 4.079 4.170 0.000 0.000 0.240 205 I C 2.735 178.935 176.117 0.138 0.000 1.081 205 I CA 0.663 62.075 61.300 0.187 0.000 1.353 205 I CB -0.208 37.942 38.000 0.251 0.000 1.054 205 I HN 0.101 nan 8.210 nan 0.000 0.407 206 L N -0.376 120.961 121.223 0.190 0.000 2.042 206 L HA -0.257 4.083 4.340 0.000 0.000 0.210 206 L C 2.732 179.657 176.870 0.092 0.000 1.076 206 L CA 1.519 56.483 54.840 0.206 0.000 0.749 206 L CB -0.581 41.591 42.059 0.188 0.000 0.893 206 L HN 0.248 nan 8.230 nan 0.000 0.432 207 S N -0.545 115.178 115.700 0.038 0.000 2.356 207 S HA -0.176 4.295 4.470 0.000 0.000 0.223 207 S C 2.115 176.692 174.600 -0.038 0.000 1.032 207 S CA 1.242 59.441 58.200 -0.002 0.000 1.005 207 S CB -0.129 63.061 63.200 -0.017 0.000 0.867 207 S HN 0.448 nan 8.310 nan 0.000 0.449 208 A N 1.019 123.773 122.820 -0.109 0.000 1.972 208 A HA 0.086 4.406 4.320 0.000 0.000 0.219 208 A C 1.990 179.486 177.584 -0.148 0.000 1.169 208 A CA 1.165 53.092 52.037 -0.183 0.000 0.635 208 A CB -0.580 18.189 19.000 -0.385 0.000 0.810 208 A HN 0.588 nan 8.150 nan 0.000 0.446 209 L N -1.736 119.410 121.223 -0.128 0.000 2.599 209 L HA 0.201 4.541 4.340 0.000 0.000 0.230 209 L C 1.646 178.524 176.870 0.013 0.000 1.141 209 L CA 0.594 55.327 54.840 -0.178 0.000 0.877 209 L CB -0.076 41.865 42.059 -0.197 0.000 1.009 209 L HN 0.595 nan 8.230 nan 0.000 0.447 210 G N -0.783 108.040 108.800 0.039 0.000 2.184 210 G HA2 -0.238 3.722 3.960 0.000 0.000 0.206 210 G HA3 -0.238 3.722 3.960 0.000 0.000 0.206 210 G C 0.334 175.269 174.900 0.058 0.000 0.995 210 G CA 0.152 45.292 45.100 0.067 0.000 0.651 210 G HN 0.229 nan 8.290 nan 0.000 0.511 211 S N 0.077 115.812 115.700 0.058 0.000 2.564 211 S HA 0.478 4.948 4.470 0.000 0.000 0.278 211 S C 0.583 175.191 174.600 0.012 0.000 1.333 211 S CA 0.191 58.409 58.200 0.031 0.000 1.048 211 S CB 0.839 64.059 63.200 0.032 0.000 0.900 211 S HN 0.581 nan 8.310 nan 0.000 0.505 212 K N 3.439 123.838 120.400 -0.003 0.000 2.262 212 K HA 0.226 4.546 4.320 0.000 0.000 0.288 212 K C -0.727 175.863 176.600 -0.016 0.000 1.090 212 K CA -0.014 56.267 56.287 -0.009 0.000 0.918 212 K CB -0.049 32.443 32.500 -0.013 0.000 1.139 212 K HN 0.492 nan 8.250 nan 0.000 0.462 213 T N 2.593 117.139 114.554 -0.014 0.000 2.824 213 T HA 0.362 4.712 4.350 0.000 0.000 0.280 213 T C -0.779 173.906 174.700 -0.025 0.000 0.995 213 T CA -0.724 61.365 62.100 -0.018 0.000 1.009 213 T CB 1.597 70.461 68.868 -0.006 0.000 0.955 213 T HN 0.458 nan 8.240 nan 0.000 0.452 214 S N 1.975 117.653 115.700 -0.036 0.000 2.513 214 S HA 0.680 5.150 4.470 0.000 0.000 0.299 214 S C -1.220 173.352 174.600 -0.047 0.000 1.087 214 S CA -0.723 57.454 58.200 -0.038 0.000 1.012 214 S CB 1.442 64.616 63.200 -0.042 0.000 1.044 214 S HN 0.567 nan 8.310 nan 0.000 0.485 215 L N 3.322 124.519 121.223 -0.042 0.000 2.343 215 L HA 0.606 4.946 4.340 0.000 0.000 0.278 215 L C -0.806 176.038 176.870 -0.044 0.000 0.996 215 L CA -0.288 54.524 54.840 -0.046 0.000 0.831 215 L CB 1.224 43.260 42.059 -0.038 0.000 1.232 215 L HN 0.776 nan 8.230 nan 0.000 0.413 216 M N 7.399 126.971 119.600 -0.047 0.000 2.061 216 M HA 0.503 4.983 4.480 0.000 0.000 0.346 216 M C -1.060 175.225 176.300 -0.024 0.000 1.112 216 M CA -0.556 54.722 55.300 -0.035 0.000 1.021 216 M CB 0.602 33.180 32.600 -0.038 0.000 1.530 216 M HN 0.704 nan 8.290 nan 0.000 0.437 217 I N 1.721 122.267 120.570 -0.041 0.000 2.646 217 I HA 0.503 4.673 4.170 0.000 0.000 0.299 217 I C 0.260 176.324 176.117 -0.088 0.000 1.036 217 I CA -0.963 60.309 61.300 -0.047 0.000 1.074 217 I CB 2.060 40.021 38.000 -0.065 0.000 1.258 217 I HN 0.711 nan 8.210 nan 0.000 0.430 218 R N 1.831 122.293 120.500 -0.065 0.000 2.236 218 R HA 0.165 4.505 4.340 0.000 0.000 0.208 218 R C 0.481 176.482 176.300 -0.498 0.000 1.036 218 R CA 0.673 56.673 56.100 -0.166 0.000 1.001 218 R CB -0.201 30.042 30.300 -0.095 0.000 0.896 218 R HN 0.705 nan 8.270 nan 0.000 0.464 219 H N -0.460 118.379 119.070 -0.384 0.000 3.751 219 H HA 0.092 4.648 4.556 0.000 0.000 0.287 219 H C 0.458 175.148 175.328 -1.065 0.000 1.629 219 H CA -0.329 55.258 56.048 -0.769 0.000 1.526 219 H CB 0.515 30.080 29.762 -0.327 0.000 1.032 219 H HN 0.034 nan 8.280 nan 0.000 0.828 220 D N 0.112 120.170 120.400 -0.570 0.000 2.392 220 D HA 0.112 4.752 4.640 0.000 0.000 0.206 220 D C 0.100 176.311 176.300 -0.148 0.000 1.046 220 D CA 0.408 54.187 54.000 -0.368 0.000 0.865 220 D CB 1.088 41.834 40.800 -0.091 0.000 0.969 220 D HN 0.141 nan 8.370 nan 0.000 0.509 221 K N 0.171 120.506 120.400 -0.109 0.000 2.482 221 K HA 0.498 4.819 4.320 0.000 0.000 0.257 221 K C -0.618 175.940 176.600 -0.070 0.000 0.969 221 K CA -1.083 55.160 56.287 -0.072 0.000 0.842 221 K CB 3.376 35.845 32.500 -0.052 0.000 1.359 221 K HN -0.067 nan 8.250 nan 0.000 0.441 222 V N -0.759 119.112 119.914 -0.071 0.000 2.997 222 V HA 0.443 4.563 4.120 0.000 0.000 0.311 222 V C 0.445 176.477 176.094 -0.104 0.000 1.066 222 V CA -0.869 61.384 62.300 -0.078 0.000 1.039 222 V CB 0.398 32.168 31.823 -0.088 0.000 1.081 222 V HN 0.829 nan 8.190 nan 0.000 0.467 223 L N -0.448 120.706 121.223 -0.115 0.000 3.660 223 L HA -0.200 4.140 4.340 0.000 0.000 0.440 223 L C 1.771 178.648 176.870 0.012 0.000 1.262 223 L CA 0.576 55.318 54.840 -0.162 0.000 0.837 223 L CB -1.337 40.360 42.059 -0.604 0.000 1.689 223 L HN 0.839 nan 8.230 nan 0.000 0.890 224 R N 0.359 120.871 120.500 0.021 0.000 2.241 224 R HA -0.113 4.227 4.340 0.000 0.000 0.224 224 R C 2.162 178.500 176.300 0.063 0.000 1.101 224 R CA 1.445 57.551 56.100 0.010 0.000 0.995 224 R CB -0.078 30.178 30.300 -0.073 0.000 0.870 224 R HN 0.748 nan 8.270 nan 0.000 0.463 225 S N -0.551 115.247 115.700 0.163 0.000 2.558 225 S HA 0.065 4.535 4.470 0.000 0.000 0.217 225 S C 0.499 175.175 174.600 0.127 0.000 0.975 225 S CA -0.221 58.057 58.200 0.130 0.000 0.912 225 S CB 0.010 63.272 63.200 0.104 0.000 0.776 225 S HN -0.044 nan 8.310 nan 0.000 0.526 226 F N 2.770 122.687 119.950 -0.055 0.000 2.368 226 F HA 0.392 4.920 4.527 0.000 0.000 0.308 226 F C 1.020 176.733 175.800 -0.145 0.000 1.198 226 F CA -1.900 56.052 58.000 -0.079 0.000 1.130 226 F CB 0.083 39.047 39.000 -0.059 0.000 1.300 226 F HN 0.082 nan 8.300 nan 0.000 0.537 227 D N 0.174 120.514 120.400 -0.099 0.000 2.443 227 D HA -0.064 4.576 4.640 0.000 0.000 0.239 227 D C 1.168 177.416 176.300 -0.087 0.000 1.136 227 D CA 0.432 54.275 54.000 -0.261 0.000 0.879 227 D CB 1.130 41.490 40.800 -0.733 0.000 1.195 227 D HN 0.613 nan 8.370 nan 0.000 0.443 228 S N 3.638 119.294 115.700 -0.073 0.000 2.440 228 S HA -0.263 4.207 4.470 0.000 0.000 0.238 228 S C 2.030 176.616 174.600 -0.024 0.000 1.010 228 S CA 1.036 59.216 58.200 -0.033 0.000 0.972 228 S CB -0.288 62.896 63.200 -0.027 0.000 0.774 228 S HN 0.717 nan 8.310 nan 0.000 0.501 229 M N 0.511 120.092 119.600 -0.032 0.000 2.175 229 M HA -0.017 4.464 4.480 0.000 0.000 0.264 229 M C 1.536 177.836 176.300 0.001 0.000 1.063 229 M CA 1.486 56.781 55.300 -0.007 0.000 1.119 229 M CB -0.198 32.407 32.600 0.009 0.000 1.377 229 M HN 0.282 nan 8.290 nan 0.000 0.415 230 I N 0.528 121.103 120.570 0.009 0.000 2.233 230 I HA -0.190 3.980 4.170 0.000 0.000 0.243 230 I C 2.689 178.790 176.117 -0.027 0.000 1.093 230 I CA 1.674 62.986 61.300 0.020 0.000 1.380 230 I CB -1.721 36.342 38.000 0.105 0.000 1.067 230 I HN 0.431 nan 8.210 nan 0.000 0.413 231 S N 0.110 115.797 115.700 -0.021 0.000 2.382 231 S HA -0.165 4.305 4.470 0.000 0.000 0.228 231 S C 1.994 176.568 174.600 -0.044 0.000 1.027 231 S CA 1.805 59.973 58.200 -0.053 0.000 0.991 231 S CB -1.103 62.075 63.200 -0.036 0.000 0.823 231 S HN 0.415 nan 8.310 nan 0.000 0.469 232 T N 2.554 117.093 114.554 -0.025 0.000 2.701 232 T HA -0.054 4.296 4.350 0.000 0.000 0.263 232 T C 1.849 176.538 174.700 -0.018 0.000 1.040 232 T CA 1.624 63.714 62.100 -0.017 0.000 1.147 232 T CB -0.775 68.089 68.868 -0.007 0.000 0.865 232 T HN 0.583 nan 8.240 nan 0.000 0.426 233 N N 0.136 118.826 118.700 -0.016 0.000 2.166 233 N HA -0.108 4.632 4.740 0.000 0.000 0.186 233 N C 2.038 177.535 175.510 -0.021 0.000 1.019 233 N CA 1.183 54.225 53.050 -0.014 0.000 0.856 233 N CB -0.605 37.876 38.487 -0.010 0.000 0.993 233 N HN 0.406 nan 8.380 nan 0.000 0.426 234 C N -0.564 118.713 119.300 -0.038 0.000 2.446 234 C HA -0.018 4.443 4.460 0.000 0.000 0.277 234 C C 2.498 177.465 174.990 -0.038 0.000 1.275 234 C CA 1.512 60.501 59.018 -0.049 0.000 1.727 234 C CB -1.492 26.188 27.740 -0.101 0.000 2.010 234 C HN 0.520 nan 8.230 nan 0.000 0.486 235 T N 0.712 115.241 114.554 -0.041 0.000 2.746 235 T HA -0.152 4.198 4.350 0.000 0.000 0.267 235 T C 1.556 176.245 174.700 -0.019 0.000 1.039 235 T CA 1.851 63.931 62.100 -0.033 0.000 1.142 235 T CB -0.352 68.495 68.868 -0.035 0.000 0.866 235 T HN 0.699 nan 8.240 nan 0.000 0.444 236 E N 0.929 121.120 120.200 -0.015 0.000 2.077 236 E HA -0.132 4.218 4.350 0.000 0.000 0.193 236 E C 2.442 179.038 176.600 -0.006 0.000 0.989 236 E CA 0.783 57.178 56.400 -0.009 0.000 0.800 236 E CB -0.085 29.610 29.700 -0.007 0.000 0.746 236 E HN 0.443 nan 8.360 nan 0.000 0.452 237 E N 0.857 121.056 120.200 -0.002 0.000 2.110 237 E HA -0.160 4.191 4.350 0.000 0.000 0.193 237 E C 2.300 178.909 176.600 0.015 0.000 0.988 237 E CA 0.659 57.065 56.400 0.010 0.000 0.804 237 E CB -0.158 29.555 29.700 0.022 0.000 0.745 237 E HN 0.301 nan 8.360 nan 0.000 0.458 238 L N 0.908 122.137 121.223 0.011 0.000 2.017 238 L HA -0.213 4.127 4.340 0.000 0.000 0.208 238 L C 2.408 179.278 176.870 -0.001 0.000 1.073 238 L CA 1.396 56.243 54.840 0.011 0.000 0.745 238 L CB -0.330 41.729 42.059 0.001 0.000 0.894 238 L HN 0.104 nan 8.230 nan 0.000 0.432 239 E N -0.204 119.993 120.200 -0.006 0.000 2.077 239 E HA -0.194 4.156 4.350 0.000 0.000 0.193 239 E C 1.868 178.461 176.600 -0.012 0.000 0.989 239 E CA 1.070 57.465 56.400 -0.009 0.000 0.800 239 E CB -0.168 29.527 29.700 -0.008 0.000 0.746 239 E HN 0.476 nan 8.360 nan 0.000 0.452 240 N N 0.802 119.495 118.700 -0.010 0.000 2.289 240 N HA -0.124 4.616 4.740 0.000 0.000 0.184 240 N C 1.392 176.891 175.510 -0.019 0.000 1.016 240 N CA 1.165 54.206 53.050 -0.015 0.000 0.872 240 N CB -0.120 38.358 38.487 -0.014 0.000 0.973 240 N HN 0.121 nan 8.380 nan 0.000 0.433 241 A N -0.511 122.300 122.820 -0.014 0.000 2.251 241 A HA 0.456 4.777 4.320 0.000 0.000 0.209 241 A C 1.461 179.026 177.584 -0.032 0.000 1.187 241 A CA 0.762 52.786 52.037 -0.023 0.000 0.823 241 A CB -0.078 18.911 19.000 -0.019 0.000 0.846 241 A HN 0.307 nan 8.150 nan 0.000 0.486 242 G N -1.718 107.066 108.800 -0.026 0.000 2.163 242 G HA2 -0.162 3.798 3.960 0.000 0.000 0.213 242 G HA3 -0.162 3.798 3.960 0.000 0.000 0.213 242 G C 0.070 174.958 174.900 -0.020 0.000 0.991 242 G CA -0.030 45.053 45.100 -0.027 0.000 0.653 242 G HN 0.695 nan 8.290 nan 0.000 0.518 243 V N 1.383 121.287 119.914 -0.016 0.000 2.488 243 V HA 0.406 4.526 4.120 0.000 0.000 0.277 243 V C 0.779 176.864 176.094 -0.015 0.000 1.046 243 V CA -0.176 62.115 62.300 -0.014 0.000 0.986 243 V CB 1.681 33.499 31.823 -0.008 0.000 0.989 243 V HN 0.426 nan 8.190 nan 0.000 0.475 244 E N 4.522 124.712 120.200 -0.017 0.000 2.129 244 E HA 0.282 4.632 4.350 0.000 0.000 0.283 244 E C -1.050 175.539 176.600 -0.019 0.000 1.080 244 E CA -0.459 55.931 56.400 -0.016 0.000 0.867 244 E CB 1.162 30.852 29.700 -0.017 0.000 1.056 244 E HN 0.514 nan 8.360 nan 0.000 0.404 245 V N 7.137 127.040 119.914 -0.018 0.000 2.368 245 V HA 0.142 4.263 4.120 0.000 0.000 0.266 245 V C 0.261 176.343 176.094 -0.019 0.000 1.045 245 V CA -0.472 61.813 62.300 -0.024 0.000 0.899 245 V CB 0.794 32.601 31.823 -0.027 0.000 1.006 245 V HN 0.667 nan 8.190 nan 0.000 0.470 246 L N 6.600 127.810 121.223 -0.022 0.000 2.334 246 L HA 0.371 4.711 4.340 0.000 0.000 0.286 246 L C 0.544 177.402 176.870 -0.020 0.000 1.108 246 L CA -0.218 54.616 54.840 -0.009 0.000 0.875 246 L CB 0.034 42.087 42.059 -0.011 0.000 1.246 246 L HN 0.582 nan 8.230 nan 0.000 0.439 247 K N 2.754 123.148 120.400 -0.010 0.000 2.168 247 K HA 0.309 4.629 4.320 0.000 0.000 0.258 247 K C 0.088 176.703 176.600 0.024 0.000 1.010 247 K CA -0.721 55.514 56.287 -0.085 0.000 0.929 247 K CB 0.445 32.887 32.500 -0.096 0.000 0.998 247 K HN 0.238 nan 8.250 nan 0.000 0.479 248 F N -0.256 119.676 119.950 -0.029 0.000 3.079 248 F HA -0.285 4.242 4.527 0.000 0.000 0.274 248 F C -0.184 175.585 175.800 -0.051 0.000 0.940 248 F CA 0.469 58.428 58.000 -0.069 0.000 0.932 248 F CB -1.974 36.994 39.000 -0.054 0.000 0.891 248 F HN 0.271 nan 8.300 nan 0.000 0.722 249 S N -0.430 115.303 115.700 0.054 0.000 2.568 249 S HA 0.824 5.295 4.470 0.000 0.000 0.302 249 S C -0.242 174.378 174.600 0.034 0.000 1.082 249 S CA -0.827 57.402 58.200 0.049 0.000 1.009 249 S CB 2.866 66.086 63.200 0.035 0.000 1.069 249 S HN 0.393 nan 8.310 nan 0.000 0.500 250 Q N -0.402 119.426 119.800 0.047 0.000 2.435 250 Q HA 0.631 4.971 4.340 0.000 0.000 0.282 250 Q C -1.848 174.199 176.000 0.079 0.000 1.020 250 Q CA -0.981 54.862 55.803 0.067 0.000 0.820 250 Q CB 1.061 29.840 28.738 0.068 0.000 1.436 250 Q HN 0.382 nan 8.270 nan 0.000 0.395 251 V N 2.691 122.681 119.914 0.127 0.000 2.530 251 V HA 0.131 4.251 4.120 0.000 0.000 0.282 251 V C 0.878 177.050 176.094 0.130 0.000 1.048 251 V CA 0.065 62.449 62.300 0.140 0.000 0.997 251 V CB 1.137 33.098 31.823 0.229 0.000 0.987 251 V HN 0.882 nan 8.190 nan 0.000 0.477 252 K N 3.063 123.519 120.400 0.093 0.000 2.313 252 K HA 0.199 4.519 4.320 0.000 0.000 0.197 252 K C 0.483 177.129 176.600 0.077 0.000 1.061 252 K CA 0.488 56.818 56.287 0.072 0.000 0.980 252 K CB 0.652 33.181 32.500 0.048 0.000 0.888 252 K HN 0.930 nan 8.250 nan 0.000 0.502 253 E N -0.719 119.532 120.200 0.085 0.000 2.392 253 E HA 0.179 4.529 4.350 0.000 0.000 0.281 253 E C -1.805 174.843 176.600 0.079 0.000 1.088 253 E CA -0.926 55.525 56.400 0.085 0.000 0.850 253 E CB 1.495 31.229 29.700 0.057 0.000 1.267 253 E HN -0.144 nan 8.360 nan 0.000 0.438 254 V N 1.645 121.611 119.914 0.085 0.000 2.656 254 V HA 0.625 4.745 4.120 0.000 0.000 0.307 254 V C -0.788 175.333 176.094 0.046 0.000 1.051 254 V CA -0.596 61.742 62.300 0.063 0.000 0.893 254 V CB 1.707 33.587 31.823 0.094 0.000 0.999 254 V HN 0.792 nan 8.190 nan 0.000 0.426 255 K N 1.894 122.309 120.400 0.024 0.000 2.502 255 K HA 0.755 5.075 4.320 0.000 0.000 0.257 255 K C -1.187 175.417 176.600 0.006 0.000 0.938 255 K CA -1.179 55.119 56.287 0.018 0.000 0.819 255 K CB 2.342 34.852 32.500 0.016 0.000 1.333 255 K HN 0.292 nan 8.250 nan 0.000 0.434 256 K N 2.289 122.693 120.400 0.006 0.000 2.292 256 K HA 0.120 4.440 4.320 0.000 0.000 0.290 256 K C -0.476 176.122 176.600 -0.004 0.000 1.083 256 K CA 0.043 56.330 56.287 -0.001 0.000 0.918 256 K CB 0.260 32.762 32.500 0.002 0.000 1.089 256 K HN 0.777 nan 8.250 nan 0.000 0.473 257 T N 0.419 114.968 114.554 -0.008 0.000 2.888 257 T HA 0.245 4.595 4.350 0.000 0.000 0.283 257 T C 1.472 176.166 174.700 -0.011 0.000 1.013 257 T CA -0.724 61.371 62.100 -0.009 0.000 0.938 257 T CB 0.356 69.218 68.868 -0.010 0.000 1.298 257 T HN 0.453 nan 8.240 nan 0.000 0.580 258 L N -0.005 121.212 121.223 -0.010 0.000 2.191 258 L HA 0.052 4.392 4.340 0.000 0.000 0.212 258 L C 0.697 177.558 176.870 -0.014 0.000 1.103 258 L CA 0.928 55.761 54.840 -0.011 0.000 0.769 258 L CB -0.192 41.862 42.059 -0.010 0.000 0.908 258 L HN 0.665 nan 8.230 nan 0.000 0.438 259 S N -0.432 115.258 115.700 -0.017 0.000 2.488 259 S HA 0.567 5.037 4.470 0.000 0.000 0.151 259 S C -0.017 174.567 174.600 -0.026 0.000 1.401 259 S CA 0.006 58.193 58.200 -0.022 0.000 1.221 259 S CB 1.286 64.474 63.200 -0.021 0.000 1.407 259 S HN 0.568 nan 8.310 nan 0.000 0.406 260 G N 1.770 110.553 108.800 -0.028 0.000 2.428 260 G HA2 -0.054 3.906 3.960 0.000 0.000 0.202 260 G HA3 -0.054 3.906 3.960 0.000 0.000 0.202 260 G C -1.451 173.431 174.900 -0.030 0.000 1.247 260 G CA -0.968 44.112 45.100 -0.034 0.000 1.020 260 G HN 0.564 nan 8.290 nan 0.000 0.529 261 L N 0.146 121.348 121.223 -0.036 0.000 2.322 261 L HA 0.812 5.152 4.340 0.000 0.000 0.269 261 L C 0.166 177.017 176.870 -0.031 0.000 1.012 261 L CA -0.790 54.030 54.840 -0.032 0.000 0.815 261 L CB 2.045 44.078 42.059 -0.045 0.000 1.295 261 L HN 0.806 nan 8.230 nan 0.000 0.438 262 E N 0.781 120.968 120.200 -0.022 0.000 2.218 262 E HA 0.482 4.832 4.350 0.000 0.000 0.263 262 E C -1.769 174.821 176.600 -0.016 0.000 0.879 262 E CA -0.585 55.804 56.400 -0.019 0.000 0.762 262 E CB 2.061 31.755 29.700 -0.010 0.000 1.166 262 E HN 0.291 nan 8.360 nan 0.000 0.415 263 V N 3.642 123.541 119.914 -0.025 0.000 2.370 263 V HA 0.304 4.424 4.120 0.000 0.000 0.283 263 V C -0.204 175.886 176.094 -0.007 0.000 1.023 263 V CA -0.633 61.653 62.300 -0.023 0.000 0.857 263 V CB 1.620 33.409 31.823 -0.056 0.000 0.985 263 V HN 0.672 nan 8.190 nan 0.000 0.443 264 S N 7.155 122.862 115.700 0.011 0.000 2.452 264 S HA 0.700 5.170 4.470 0.000 0.000 0.284 264 S C -0.187 174.428 174.600 0.024 0.000 1.171 264 S CA -0.540 57.670 58.200 0.017 0.000 1.064 264 S CB 0.592 63.806 63.200 0.024 0.000 0.967 264 S HN 0.773 nan 8.310 nan 0.000 0.484 265 M N 1.910 121.521 119.600 0.019 0.000 2.644 265 M HA 0.801 5.281 4.480 0.000 0.000 0.304 265 M C -1.509 174.807 176.300 0.026 0.000 1.215 265 M CA -0.966 54.349 55.300 0.026 0.000 0.871 265 M CB 1.558 34.169 32.600 0.018 0.000 1.740 265 M HN 0.171 nan 8.290 nan 0.000 0.464 266 V N 1.337 121.271 119.914 0.032 0.000 2.417 266 V HA 0.530 4.650 4.120 0.000 0.000 0.291 266 V C -0.405 175.712 176.094 0.038 0.000 1.024 266 V CA -0.346 61.972 62.300 0.030 0.000 0.861 266 V CB 1.811 33.651 31.823 0.029 0.000 0.985 266 V HN 0.995 nan 8.190 nan 0.000 0.436 267 T N 4.347 118.922 114.554 0.036 0.000 2.770 267 T HA 0.631 4.981 4.350 0.000 0.000 0.283 267 T C 0.065 174.788 174.700 0.038 0.000 0.988 267 T CA -0.229 61.905 62.100 0.056 0.000 0.957 267 T CB 1.368 70.267 68.868 0.052 0.000 0.930 267 T HN 0.839 nan 8.240 nan 0.000 0.443 268 A N 3.828 126.678 122.820 0.049 0.000 2.978 268 A HA 0.590 4.911 4.320 0.000 0.000 0.341 268 A C 0.113 177.603 177.584 -0.156 0.000 1.105 268 A CA -0.535 51.486 52.037 -0.027 0.000 0.819 268 A CB 0.112 19.102 19.000 -0.017 0.000 1.080 268 A HN 0.674 nan 8.150 nan 0.000 0.476 269 V N 2.895 122.682 119.914 -0.213 0.000 2.585 269 V HA 0.158 4.278 4.120 0.000 0.000 0.296 269 V C -1.980 173.831 176.094 -0.470 0.000 1.035 269 V CA -0.766 61.224 62.300 -0.515 0.000 1.084 269 V CB 0.824 32.502 31.823 -0.242 0.000 0.953 269 V HN 0.628 nan 8.190 nan 0.000 0.483 270 P HA 0.322 nan 4.420 nan 0.000 0.276 270 P C 0.680 177.850 177.300 -0.216 0.000 1.230 270 P CA 0.731 63.623 63.100 -0.346 0.000 0.776 270 P CB 0.899 32.416 31.700 -0.304 0.000 0.888 271 G N 1.333 110.052 108.800 -0.136 0.000 2.132 271 G HA2 -0.221 3.739 3.960 0.000 0.000 0.234 271 G HA3 -0.221 3.739 3.960 0.000 0.000 0.234 271 G C 0.131 174.983 174.900 -0.080 0.000 0.989 271 G CA -0.260 44.786 45.100 -0.090 0.000 0.676 271 G HN 0.672 nan 8.290 nan 0.000 0.522 272 R N -1.422 119.022 120.500 -0.094 0.000 2.764 272 R HA 0.732 5.072 4.340 0.000 0.000 0.270 272 R C -0.282 175.980 176.300 -0.062 0.000 1.014 272 R CA -0.940 55.117 56.100 -0.073 0.000 0.904 272 R CB 1.019 31.267 30.300 -0.086 0.000 1.236 272 R HN 0.106 nan 8.270 nan 0.000 0.466 273 L N 3.063 124.260 121.223 -0.043 0.000 2.350 273 L HA 0.437 4.777 4.340 0.000 0.000 0.275 273 L C -1.838 175.014 176.870 -0.031 0.000 1.099 273 L CA -1.898 52.922 54.840 -0.033 0.000 0.808 273 L CB 0.986 43.032 42.059 -0.022 0.000 1.149 273 L HN 0.449 nan 8.230 nan 0.000 0.442 274 P HA 0.047 nan 4.420 nan 0.000 0.266 274 P C -0.880 176.416 177.300 -0.008 0.000 1.195 274 P CA 0.000 63.091 63.100 -0.016 0.000 0.768 274 P CB 1.064 32.758 31.700 -0.010 0.000 0.838 275 V N 3.993 123.906 119.914 -0.001 0.000 2.760 275 V HA 0.530 4.650 4.120 0.000 0.000 0.309 275 V C -0.934 175.165 176.094 0.008 0.000 1.077 275 V CA -0.943 61.358 62.300 0.003 0.000 0.910 275 V CB 2.009 33.833 31.823 0.002 0.000 1.008 275 V HN 0.386 nan 8.190 nan 0.000 0.424 276 M N 4.622 124.227 119.600 0.007 0.000 2.336 276 M HA 0.548 5.029 4.480 0.000 0.000 0.342 276 M C -0.632 175.673 176.300 0.008 0.000 1.128 276 M CA -0.189 55.117 55.300 0.010 0.000 1.016 276 M CB 1.950 34.556 32.600 0.010 0.000 1.665 276 M HN 0.828 nan 8.290 nan 0.000 0.445 277 T N 3.392 117.951 114.554 0.009 0.000 2.893 277 T HA 0.564 4.914 4.350 0.000 0.000 0.293 277 T C -0.828 173.874 174.700 0.003 0.000 1.027 277 T CA -0.649 61.454 62.100 0.005 0.000 0.988 277 T CB 1.842 70.713 68.868 0.005 0.000 1.043 277 T HN 0.494 nan 8.240 nan 0.000 0.461 278 M N 2.777 122.377 119.600 -0.001 0.000 2.238 278 M HA 0.542 5.022 4.480 0.000 0.000 0.350 278 M C -0.973 175.322 176.300 -0.009 0.000 1.138 278 M CA -0.803 54.495 55.300 -0.003 0.000 1.040 278 M CB 0.630 33.228 32.600 -0.003 0.000 1.639 278 M HN 0.490 nan 8.290 nan 0.000 0.451 279 I N 6.962 127.523 120.570 -0.015 0.000 2.328 279 I HA 0.437 4.607 4.170 0.000 0.000 0.287 279 I C -2.245 173.856 176.117 -0.026 0.000 1.012 279 I CA -1.665 59.621 61.300 -0.024 0.000 1.195 279 I CB 1.250 39.230 38.000 -0.034 0.000 1.350 279 I HN 0.443 nan 8.210 nan 0.000 0.464 280 P HA 0.316 nan 4.420 nan 0.000 0.287 280 P C -0.973 176.310 177.300 -0.028 0.000 1.292 280 P CA -0.332 62.754 63.100 -0.023 0.000 0.879 280 P CB 0.963 32.652 31.700 -0.017 0.000 1.214 281 D N -2.033 118.350 120.400 -0.028 0.000 2.708 281 D HA -0.105 4.535 4.640 0.000 0.000 0.236 281 D C -0.384 175.892 176.300 -0.040 0.000 1.146 281 D CA 0.684 54.665 54.000 -0.031 0.000 0.662 281 D CB -1.944 38.840 40.800 -0.027 0.000 1.059 281 D HN 0.056 nan 8.370 nan 0.000 0.428 282 V N 1.040 120.926 119.914 -0.047 0.000 2.465 282 V HA 0.079 4.199 4.120 0.000 0.000 0.279 282 V C 1.411 177.466 176.094 -0.066 0.000 1.045 282 V CA -0.213 62.050 62.300 -0.061 0.000 0.938 282 V CB 1.807 33.586 31.823 -0.072 0.000 0.986 282 V HN 0.024 nan 8.190 nan 0.000 0.467 283 D N 1.839 122.195 120.400 -0.073 0.000 2.201 283 D HA 0.041 4.681 4.640 0.000 0.000 0.209 283 D C 0.539 176.784 176.300 -0.092 0.000 0.961 283 D CA 0.870 54.822 54.000 -0.081 0.000 0.861 283 D CB 0.491 41.237 40.800 -0.090 0.000 0.997 283 D HN 0.540 nan 8.370 nan 0.000 0.486 284 C N 1.638 120.879 119.300 -0.099 0.000 2.397 284 C HA 0.607 5.067 4.460 0.000 0.000 0.325 284 C C -1.170 173.740 174.990 -0.132 0.000 1.201 284 C CA -0.919 58.036 59.018 -0.105 0.000 1.377 284 C CB -0.216 27.466 27.740 -0.096 0.000 2.038 284 C HN 0.140 nan 8.230 nan 0.000 0.457 285 L N 7.118 128.237 121.223 -0.174 0.000 2.298 285 L HA 0.698 5.038 4.340 0.000 0.000 0.284 285 L C -1.019 175.638 176.870 -0.354 0.000 1.013 285 L CA -0.136 54.525 54.840 -0.298 0.000 0.824 285 L CB 1.144 42.990 42.059 -0.354 0.000 1.221 285 L HN 0.785 nan 8.230 nan 0.000 0.418 286 L N 5.548 126.567 121.223 -0.341 0.000 2.319 286 L HA 0.496 4.836 4.340 0.000 0.000 0.281 286 L C -1.292 175.421 176.870 -0.261 0.000 1.005 286 L CA -0.391 54.310 54.840 -0.231 0.000 0.828 286 L CB 0.914 42.910 42.059 -0.106 0.000 1.227 286 L HN 0.682 nan 8.230 nan 0.000 0.415 287 W N 4.913 126.198 121.300 -0.025 0.000 2.335 287 W HA 0.520 5.180 4.660 0.000 0.000 0.306 287 W C 0.376 176.870 176.519 -0.041 0.000 1.216 287 W CA -0.620 56.708 57.345 -0.029 0.000 1.237 287 W CB 1.295 30.740 29.460 -0.025 0.000 1.243 287 W HN 0.572 nan 8.180 nan 0.000 0.493 288 A N 5.128 128.054 122.820 0.176 0.000 3.253 288 A HA 0.267 4.588 4.320 0.000 0.000 0.290 288 A C 0.586 178.212 177.584 0.070 0.000 0.950 288 A CA -0.433 51.641 52.037 0.061 0.000 0.986 288 A CB -0.679 18.301 19.000 -0.034 0.000 1.104 288 A HN 0.802 nan 8.150 nan 0.000 0.481 289 I N -3.827 116.814 120.570 0.118 0.000 3.645 289 I HA 0.598 4.768 4.170 0.000 0.000 0.300 289 I C 0.729 176.881 176.117 0.058 0.000 1.260 289 I CA 0.397 61.754 61.300 0.095 0.000 1.365 289 I CB 0.530 38.597 38.000 0.111 0.000 1.077 289 I HN 0.396 nan 8.210 nan 0.000 0.439 290 G N 1.103 109.931 108.800 0.048 0.000 2.324 290 G HA2 0.351 4.311 3.960 0.000 0.000 0.293 290 G HA3 0.351 4.311 3.960 0.000 0.000 0.293 290 G C -1.688 173.240 174.900 0.048 0.000 1.297 290 G CA -1.041 44.090 45.100 0.051 0.000 0.853 290 G HN 0.092 nan 8.290 nan 0.000 0.535 291 R N -0.907 119.634 120.500 0.068 0.000 2.686 291 R HA 0.753 5.093 4.340 0.000 0.000 0.286 291 R C -1.039 175.303 176.300 0.070 0.000 0.969 291 R CA -0.772 55.370 56.100 0.070 0.000 0.898 291 R CB 2.185 32.543 30.300 0.096 0.000 1.183 291 R HN 0.901 nan 8.270 nan 0.000 0.456 292 V N 2.679 122.615 119.914 0.038 0.000 2.715 292 V HA 0.608 4.728 4.120 0.000 0.000 0.310 292 V C -2.380 173.717 176.094 0.006 0.000 1.054 292 V CA -2.566 59.732 62.300 -0.003 0.000 0.928 292 V CB 2.376 34.183 31.823 -0.026 0.000 1.007 292 V HN 0.578 nan 8.190 nan 0.000 0.437 293 P HA 0.249 nan 4.420 nan 0.000 0.277 293 P C -1.031 176.278 177.300 0.014 0.000 1.240 293 P CA -0.372 62.739 63.100 0.018 0.000 0.798 293 P CB 0.499 32.208 31.700 0.016 0.000 0.979 294 N N 1.366 120.093 118.700 0.046 0.000 2.868 294 N HA 0.121 4.861 4.740 0.000 0.000 0.252 294 N C 0.327 175.874 175.510 0.062 0.000 1.130 294 N CA 0.216 53.295 53.050 0.049 0.000 1.026 294 N CB -0.025 38.492 38.487 0.050 0.000 1.335 294 N HN 0.435 nan 8.380 nan 0.000 0.516 295 T N -2.325 112.263 114.554 0.057 0.000 3.046 295 T HA 0.109 4.459 4.350 0.000 0.000 0.270 295 T C 1.516 176.264 174.700 0.081 0.000 0.920 295 T CA -0.258 61.887 62.100 0.074 0.000 0.874 295 T CB 0.375 69.280 68.868 0.062 0.000 1.214 295 T HN 0.084 nan 8.240 nan 0.000 0.536 296 K N 1.864 122.303 120.400 0.064 0.000 2.089 296 K HA -0.149 4.171 4.320 0.000 0.000 0.210 296 K C 0.511 177.163 176.600 0.088 0.000 1.048 296 K CA 1.707 58.031 56.287 0.061 0.000 0.926 296 K CB -0.323 32.204 32.500 0.045 0.000 0.714 296 K HN 0.372 nan 8.250 nan 0.000 0.448 297 D N 0.256 120.734 120.400 0.130 0.000 2.424 297 D HA 0.065 4.705 4.640 0.000 0.000 0.220 297 D C 1.187 177.632 176.300 0.241 0.000 1.150 297 D CA -0.033 54.072 54.000 0.176 0.000 0.831 297 D CB 0.416 41.322 40.800 0.176 0.000 0.981 297 D HN 0.188 nan 8.370 nan 0.000 0.500 298 L N -0.143 121.189 121.223 0.182 0.000 2.509 298 L HA -0.005 4.335 4.340 0.000 0.000 0.222 298 L C 0.535 177.568 176.870 0.272 0.000 1.123 298 L CA 0.243 55.194 54.840 0.186 0.000 0.856 298 L CB 0.028 42.213 42.059 0.210 0.000 0.985 298 L HN -0.130 nan 8.230 nan 0.000 0.456 299 S N -0.171 115.652 115.700 0.205 0.000 3.749 299 S HA -0.175 4.295 4.470 0.000 0.000 0.348 299 S C 1.231 175.943 174.600 0.188 0.000 1.045 299 S CA 0.179 58.489 58.200 0.183 0.000 1.051 299 S CB -1.651 61.660 63.200 0.185 0.000 0.898 299 S HN 0.337 nan 8.310 nan 0.000 0.472 300 L N 1.465 122.772 121.223 0.141 0.000 2.042 300 L HA -0.215 4.125 4.340 0.000 0.000 0.210 300 L C 2.562 179.400 176.870 -0.055 0.000 1.076 300 L CA 2.022 56.866 54.840 0.007 0.000 0.749 300 L CB -0.610 41.455 42.059 0.010 0.000 0.893 300 L HN 0.730 nan 8.230 nan 0.000 0.432 301 N N 0.573 119.271 118.700 -0.003 0.000 2.348 301 N HA -0.248 4.492 4.740 0.000 0.000 0.185 301 N C 1.495 176.995 175.510 -0.017 0.000 1.019 301 N CA 1.177 54.219 53.050 -0.013 0.000 0.880 301 N CB -0.308 38.183 38.487 0.007 0.000 0.965 301 N HN 0.430 nan 8.380 nan 0.000 0.437 302 K N 0.308 120.709 120.400 0.002 0.000 2.280 302 K HA 0.076 4.396 4.320 0.000 0.000 0.202 302 K C 1.611 178.192 176.600 -0.032 0.000 1.047 302 K CA 0.703 56.996 56.287 0.010 0.000 0.942 302 K CB 0.088 32.624 32.500 0.060 0.000 0.739 302 K HN 0.255 nan 8.250 nan 0.000 0.457 303 L N -1.053 120.109 121.223 -0.101 0.000 2.731 303 L HA 0.212 4.552 4.340 0.000 0.000 0.240 303 L C 0.737 177.530 176.870 -0.127 0.000 1.120 303 L CA -0.081 54.669 54.840 -0.150 0.000 0.913 303 L CB 0.699 42.577 42.059 -0.302 0.000 1.213 303 L HN 0.263 nan 8.230 nan 0.000 0.515 304 G N 1.885 110.626 108.800 -0.098 0.000 2.272 304 G HA2 -0.288 3.672 3.960 0.000 0.000 0.280 304 G HA3 -0.288 3.672 3.960 0.000 0.000 0.280 304 G C 0.039 174.885 174.900 -0.090 0.000 1.067 304 G CA -0.077 44.979 45.100 -0.073 0.000 0.902 304 G HN 0.271 nan 8.290 nan 0.000 0.500 305 I N 0.405 120.900 120.570 -0.125 0.000 2.471 305 I HA 0.138 4.308 4.170 0.000 0.000 0.286 305 I C 1.187 177.266 176.117 -0.063 0.000 1.079 305 I CA -0.036 61.190 61.300 -0.122 0.000 1.398 305 I CB 0.853 38.738 38.000 -0.192 0.000 1.403 305 I HN 0.247 nan 8.210 nan 0.000 0.530 306 Q N 4.691 124.466 119.800 -0.041 0.000 2.332 306 Q HA 0.270 4.610 4.340 0.000 0.000 0.263 306 Q C -0.122 175.879 176.000 0.001 0.000 0.979 306 Q CA 0.014 55.807 55.803 -0.017 0.000 0.885 306 Q CB 1.094 29.826 28.738 -0.009 0.000 1.218 306 Q HN 0.749 nan 8.270 nan 0.000 0.405 307 T N -1.581 112.979 114.554 0.010 0.000 2.901 307 T HA 0.418 4.768 4.350 0.000 0.000 0.293 307 T C -0.574 174.144 174.700 0.030 0.000 1.084 307 T CA -1.124 60.993 62.100 0.028 0.000 1.008 307 T CB 1.515 70.396 68.868 0.021 0.000 1.170 307 T HN 0.563 nan 8.240 nan 0.000 0.509 308 D N -0.111 120.320 120.400 0.052 0.000 2.478 308 D HA 0.206 4.846 4.640 0.000 0.000 0.274 308 D C 0.710 177.022 176.300 0.019 0.000 1.234 308 D CA -0.472 53.557 54.000 0.048 0.000 1.069 308 D CB 0.061 40.917 40.800 0.094 0.000 1.113 308 D HN 0.612 nan 8.370 nan 0.000 0.571 309 D N -1.522 118.888 120.400 0.017 0.000 2.363 309 D HA -0.089 4.551 4.640 0.000 0.000 0.226 309 D C 0.716 176.999 176.300 -0.029 0.000 1.020 309 D CA 0.398 54.396 54.000 -0.004 0.000 0.892 309 D CB -0.052 40.748 40.800 -0.001 0.000 0.900 309 D HN 0.154 nan 8.370 nan 0.000 0.531 310 K N -0.332 120.033 120.400 -0.060 0.000 2.374 310 K HA 0.299 4.619 4.320 0.000 0.000 0.196 310 K C 1.492 177.943 176.600 -0.248 0.000 1.023 310 K CA 0.550 56.742 56.287 -0.159 0.000 1.103 310 K CB 0.643 33.003 32.500 -0.234 0.000 0.848 310 K HN 0.303 nan 8.250 nan 0.000 0.528 311 G N 1.468 110.168 108.800 -0.167 0.000 2.179 311 G HA2 -0.230 3.730 3.960 0.000 0.000 0.220 311 G HA3 -0.230 3.730 3.960 0.000 0.000 0.220 311 G C -0.400 174.431 174.900 -0.115 0.000 0.990 311 G CA -0.221 44.804 45.100 -0.124 0.000 0.646 311 G HN 0.496 nan 8.290 nan 0.000 0.517 312 H N -0.182 118.901 119.070 0.022 0.000 2.732 312 H HA 0.523 5.079 4.556 0.000 0.000 0.351 312 H C 0.973 176.313 175.328 0.020 0.000 1.090 312 H CA -0.098 55.963 56.048 0.022 0.000 1.431 312 H CB 0.908 30.678 29.762 0.015 0.000 1.447 312 H HN 0.267 nan 8.280 nan 0.000 0.582 313 I N 3.826 124.498 120.570 0.170 0.000 2.496 313 I HA -0.011 4.159 4.170 0.000 0.000 0.285 313 I C -0.015 176.149 176.117 0.078 0.000 1.080 313 I CA -0.106 61.254 61.300 0.099 0.000 1.404 313 I CB 0.481 38.534 38.000 0.089 0.000 1.403 313 I HN 0.366 nan 8.210 nan 0.000 0.539 314 I N 7.401 128.000 120.570 0.048 0.000 2.395 314 I HA 0.327 4.497 4.170 0.000 0.000 0.289 314 I C 0.233 176.365 176.117 0.026 0.000 1.023 314 I CA -0.193 61.123 61.300 0.027 0.000 1.350 314 I CB 0.961 38.971 38.000 0.017 0.000 1.409 314 I HN 0.298 nan 8.210 nan 0.000 0.507 315 V N 2.574 122.499 119.914 0.018 0.000 3.160 315 V HA 0.705 4.825 4.120 0.000 0.000 0.310 315 V C -0.608 175.502 176.094 0.027 0.000 1.181 315 V CA -0.943 61.383 62.300 0.043 0.000 1.047 315 V CB 2.134 33.998 31.823 0.068 0.000 1.068 315 V HN 0.727 nan 8.190 nan 0.000 0.441 316 D N 0.355 120.796 120.400 0.068 0.000 2.507 316 D HA 0.199 4.839 4.640 0.000 0.000 0.280 316 D C 1.057 177.368 176.300 0.017 0.000 1.219 316 D CA 0.165 54.199 54.000 0.056 0.000 1.085 316 D CB 0.363 41.237 40.800 0.124 0.000 1.134 316 D HN 0.829 nan 8.370 nan 0.000 0.583 317 E N -0.712 119.444 120.200 -0.073 0.000 2.338 317 E HA -0.152 4.198 4.350 0.000 0.000 0.197 317 E C 0.586 177.004 176.600 -0.304 0.000 1.007 317 E CA 0.791 57.045 56.400 -0.244 0.000 0.849 317 E CB -0.470 28.988 29.700 -0.403 0.000 0.774 317 E HN 0.419 nan 8.360 nan 0.000 0.506 318 F N 0.863 120.866 119.950 0.089 0.000 2.639 318 F HA 0.237 4.765 4.527 0.000 0.000 0.302 318 F C 0.409 176.284 175.800 0.126 0.000 1.097 318 F CA -0.302 57.754 58.000 0.093 0.000 1.294 318 F CB 0.658 39.705 39.000 0.078 0.000 1.027 318 F HN -0.177 nan 8.300 nan 0.000 0.550 319 Q N -1.256 118.702 119.800 0.262 0.000 2.424 319 Q HA -0.206 4.134 4.340 0.000 0.000 0.234 319 Q C -0.726 175.473 176.000 0.332 0.000 0.748 319 Q CA 0.457 56.413 55.803 0.255 0.000 1.286 319 Q CB -2.344 26.540 28.738 0.244 0.000 1.494 319 Q HN 0.392 nan 8.270 nan 0.000 0.683 320 N N 1.898 120.797 118.700 0.332 0.000 2.518 320 N HA 0.185 4.926 4.740 0.000 0.000 0.266 320 N C 0.885 176.466 175.510 0.118 0.000 1.196 320 N CA 0.903 54.112 53.050 0.266 0.000 0.947 320 N CB 0.948 39.566 38.487 0.218 0.000 1.098 320 N HN 0.397 nan 8.380 nan 0.000 0.450 321 T N -1.403 113.163 114.554 0.020 0.000 2.865 321 T HA 0.126 4.476 4.350 0.000 0.000 0.302 321 T C 1.267 175.952 174.700 -0.026 0.000 1.078 321 T CA -0.572 61.521 62.100 -0.011 0.000 0.942 321 T CB 0.343 69.179 68.868 -0.054 0.000 1.387 321 T HN 0.544 nan 8.240 nan 0.000 0.557 322 N N -0.563 118.114 118.700 -0.038 0.000 2.412 322 N HA 0.028 4.768 4.740 0.000 0.000 0.184 322 N C -0.046 175.430 175.510 -0.057 0.000 1.101 322 N CA -0.038 52.992 53.050 -0.034 0.000 0.881 322 N CB -0.310 38.160 38.487 -0.027 0.000 0.969 322 N HN 0.380 nan 8.380 nan 0.000 0.459 323 V N 1.322 121.179 119.914 -0.094 0.000 2.427 323 V HA 0.205 4.325 4.120 0.000 0.000 0.286 323 V C 0.404 176.416 176.094 -0.137 0.000 1.034 323 V CA -1.037 61.195 62.300 -0.113 0.000 0.893 323 V CB 1.534 33.266 31.823 -0.152 0.000 0.982 323 V HN 0.041 nan 8.190 nan 0.000 0.452 324 K N 2.893 123.233 120.400 -0.101 0.000 2.451 324 K HA 0.357 4.677 4.320 0.000 0.000 0.280 324 K C 1.194 177.709 176.600 -0.141 0.000 1.020 324 K CA 1.000 57.228 56.287 -0.098 0.000 1.008 324 K CB 0.370 32.845 32.500 -0.041 0.000 0.917 324 K HN 1.150 nan 8.250 nan 0.000 0.478 325 G N 2.746 111.425 108.800 -0.202 0.000 2.143 325 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 325 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 325 G C 0.004 174.654 174.900 -0.417 0.000 0.991 325 G CA -0.201 44.792 45.100 -0.180 0.000 0.689 325 G HN 0.547 nan 8.290 nan 0.000 0.522 326 I N -0.006 120.147 120.570 -0.695 0.000 2.447 326 I HA 0.544 4.714 4.170 0.000 0.000 0.287 326 I C -0.268 175.459 176.117 -0.650 0.000 1.023 326 I CA -1.036 59.987 61.300 -0.462 0.000 1.083 326 I CB 1.449 39.323 38.000 -0.209 0.000 1.245 326 I HN 0.041 nan 8.210 nan 0.000 0.434 327 Y N 4.027 124.420 120.300 0.156 0.000 2.633 327 Y HA 0.864 5.414 4.550 0.000 0.000 0.339 327 Y C 0.112 176.092 175.900 0.133 0.000 1.045 327 Y CA -1.155 57.032 58.100 0.145 0.000 1.098 327 Y CB 1.868 40.434 38.460 0.177 0.000 1.296 327 Y HN 0.577 nan 8.280 nan 0.000 0.494 328 A N 0.702 123.695 122.820 0.287 0.000 2.547 328 A HA 0.813 5.133 4.320 0.000 0.000 0.297 328 A C -1.478 176.215 177.584 0.182 0.000 1.056 328 A CA -0.548 51.607 52.037 0.197 0.000 0.688 328 A CB 1.189 20.274 19.000 0.143 0.000 1.282 328 A HN 1.164 nan 8.150 nan 0.000 0.400 329 V N -0.677 119.328 119.914 0.153 0.000 3.159 329 V HA 1.018 5.138 4.120 0.000 0.000 0.308 329 V C 0.476 176.640 176.094 0.117 0.000 1.190 329 V CA 0.207 62.593 62.300 0.143 0.000 1.037 329 V CB 0.941 32.849 31.823 0.141 0.000 1.060 329 V HN 2.979 nan 8.190 nan 0.000 0.437 330 G N 1.823 110.695 108.800 0.119 0.000 2.632 330 G HA2 -0.185 3.775 3.960 0.000 0.000 0.224 330 G HA3 -0.185 3.775 3.960 0.000 0.000 0.224 330 G C -0.001 174.954 174.900 0.092 0.000 1.341 330 G CA 0.601 45.760 45.100 0.099 0.000 0.880 330 G HN 1.094 nan 8.290 nan 0.000 0.566 331 D N -0.725 119.728 120.400 0.087 0.000 2.221 331 D HA -0.052 4.588 4.640 0.000 0.000 0.204 331 D C 2.468 178.841 176.300 0.120 0.000 0.982 331 D CA 1.336 55.393 54.000 0.094 0.000 0.857 331 D CB -0.186 40.672 40.800 0.097 0.000 0.934 331 D HN 0.510 nan 8.370 nan 0.000 0.475 332 V N -0.207 119.779 119.914 0.120 0.000 2.720 332 V HA -0.231 3.889 4.120 0.000 0.000 0.256 332 V C 1.871 178.082 176.094 0.194 0.000 1.082 332 V CA 1.335 63.729 62.300 0.155 0.000 1.101 332 V CB -0.199 31.696 31.823 0.119 0.000 0.693 332 V HN 0.329 nan 8.190 nan 0.000 0.479 333 C N 0.248 119.608 119.300 0.101 0.000 2.563 333 C HA 0.397 4.857 4.460 0.000 0.000 0.268 333 C C 2.028 176.905 174.990 -0.187 0.000 1.365 333 C CA 0.225 59.254 59.018 0.018 0.000 1.754 333 C CB -0.936 26.808 27.740 0.007 0.000 1.932 333 C HN 0.844 nan 8.230 nan 0.000 0.536 334 G N 1.663 110.321 108.800 -0.236 0.000 2.153 334 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 334 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 334 G C -0.053 174.654 174.900 -0.321 0.000 0.994 334 G CA 0.806 45.568 45.100 -0.565 0.000 0.698 334 G HN 0.739 nan 8.290 nan 0.000 0.521 335 K N -1.094 119.202 120.400 -0.174 0.000 2.345 335 K HA 0.757 5.078 4.320 0.000 0.000 0.255 335 K C 0.481 177.085 176.600 0.006 0.000 0.934 335 K CA -0.070 56.141 56.287 -0.126 0.000 0.801 335 K CB 1.893 34.257 32.500 -0.227 0.000 1.137 335 K HN 1.699 nan 8.250 nan 0.000 0.424 336 A N 3.891 126.732 122.820 0.034 0.000 2.136 336 A HA -0.127 4.193 4.320 0.000 0.000 0.274 336 A C -0.216 177.417 177.584 0.082 0.000 1.388 336 A CA 0.378 52.466 52.037 0.084 0.000 0.741 336 A CB -1.875 17.241 19.000 0.194 0.000 1.173 336 A HN 0.744 nan 8.150 nan 0.000 0.329 337 L N 1.821 123.085 121.223 0.067 0.000 2.382 337 L HA 0.387 4.727 4.340 0.000 0.000 0.259 337 L C 0.200 177.120 176.870 0.082 0.000 1.291 337 L CA 0.276 55.169 54.840 0.089 0.000 1.176 337 L CB -0.614 41.517 42.059 0.121 0.000 1.373 337 L HN 0.578 nan 8.230 nan 0.000 0.426 338 L N 0.252 121.511 121.223 0.059 0.000 2.393 338 L HA 0.363 4.703 4.340 0.000 0.000 0.260 338 L C 1.102 177.996 176.870 0.040 0.000 1.002 338 L CA -0.444 54.417 54.840 0.035 0.000 0.818 338 L CB 2.298 44.354 42.059 -0.005 0.000 1.369 338 L HN 0.058 nan 8.230 nan 0.000 0.412 339 T N 0.613 115.190 114.554 0.039 0.000 2.777 339 T HA -0.030 4.320 4.350 0.000 0.000 0.266 339 T C -1.185 173.531 174.700 0.026 0.000 1.040 339 T CA 1.526 63.647 62.100 0.036 0.000 1.141 339 T CB -0.435 68.454 68.868 0.035 0.000 0.868 339 T HN 0.455 nan 8.240 nan 0.000 0.444 340 P HA 0.031 nan 4.420 nan 0.000 0.220 340 P C 1.533 178.824 177.300 -0.017 0.000 1.148 340 P CA 0.535 63.636 63.100 0.001 0.000 0.803 340 P CB -0.190 31.506 31.700 -0.006 0.000 0.782 341 V N 0.386 120.288 119.914 -0.019 0.000 2.358 341 V HA -0.208 3.912 4.120 0.000 0.000 0.246 341 V C 2.554 178.644 176.094 -0.007 0.000 1.047 341 V CA 2.149 64.422 62.300 -0.045 0.000 1.035 341 V CB -1.732 30.085 31.823 -0.010 0.000 0.658 341 V HN 0.096 nan 8.190 nan 0.000 0.452 342 A N 0.073 122.913 122.820 0.034 0.000 1.877 342 A HA -0.178 4.142 4.320 0.000 0.000 0.216 342 A C 2.196 179.806 177.584 0.043 0.000 1.186 342 A CA 1.954 54.024 52.037 0.055 0.000 0.620 342 A CB -0.564 18.470 19.000 0.057 0.000 0.822 342 A HN 0.485 nan 8.150 nan 0.000 0.443 343 I N -0.207 120.382 120.570 0.032 0.000 2.127 343 I HA -0.328 3.842 4.170 0.000 0.000 0.241 343 I C 3.013 179.144 176.117 0.023 0.000 1.075 343 I CA 1.299 62.619 61.300 0.032 0.000 1.334 343 I CB -0.381 37.637 38.000 0.030 0.000 1.040 343 I HN 0.364 nan 8.210 nan 0.000 0.405 344 A N 0.520 123.336 122.820 -0.006 0.000 1.902 344 A HA -0.176 4.144 4.320 0.000 0.000 0.217 344 A C 2.498 180.071 177.584 -0.018 0.000 1.181 344 A CA 1.973 53.995 52.037 -0.026 0.000 0.623 344 A CB -0.890 18.064 19.000 -0.077 0.000 0.818 344 A HN 0.464 nan 8.150 nan 0.000 0.443 345 A N -0.628 122.180 122.820 -0.019 0.000 1.930 345 A HA 0.187 4.507 4.320 0.000 0.000 0.217 345 A C 2.379 180.003 177.584 0.067 0.000 1.175 345 A CA 1.754 53.806 52.037 0.024 0.000 0.627 345 A CB -1.264 17.782 19.000 0.077 0.000 0.815 345 A HN 0.701 nan 8.150 nan 0.000 0.443 346 G N -0.542 108.301 108.800 0.071 0.000 2.418 346 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 346 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 346 G C 1.795 176.744 174.900 0.082 0.000 1.158 346 G CA 0.864 46.019 45.100 0.090 0.000 0.771 346 G HN 0.547 nan 8.290 nan 0.000 0.545 347 R N 0.039 120.583 120.500 0.073 0.000 2.062 347 R HA 0.045 4.385 4.340 0.000 0.000 0.229 347 R C 2.597 178.991 176.300 0.156 0.000 1.128 347 R CA 0.965 57.121 56.100 0.095 0.000 0.960 347 R CB -0.127 30.237 30.300 0.107 0.000 0.855 347 R HN 0.105 nan 8.270 nan 0.000 0.432 348 K N 0.765 121.237 120.400 0.120 0.000 2.147 348 K HA -0.143 4.177 4.320 0.000 0.000 0.205 348 K C 2.021 178.673 176.600 0.088 0.000 1.049 348 K CA 0.852 57.211 56.287 0.121 0.000 0.936 348 K CB -0.293 32.242 32.500 0.058 0.000 0.722 348 K HN 0.115 nan 8.250 nan 0.000 0.446 349 L N 0.875 122.122 121.223 0.039 0.000 2.109 349 L HA -0.002 4.338 4.340 0.000 0.000 0.207 349 L C 2.150 178.920 176.870 -0.166 0.000 1.086 349 L CA 1.621 56.427 54.840 -0.057 0.000 0.760 349 L CB -0.639 41.398 42.059 -0.037 0.000 0.910 349 L HN 0.092 nan 8.230 nan 0.000 0.437 350 A N -1.383 121.379 122.820 -0.096 0.000 1.933 350 A HA -0.226 4.094 4.320 0.000 0.000 0.218 350 A C 2.207 179.659 177.584 -0.220 0.000 1.175 350 A CA 1.640 53.587 52.037 -0.149 0.000 0.628 350 A CB -0.938 17.984 19.000 -0.130 0.000 0.814 350 A HN 0.653 nan 8.150 nan 0.000 0.444 351 H N -0.881 118.130 119.070 -0.097 0.000 2.389 351 H HA -0.087 4.469 4.556 0.000 0.000 0.299 351 H C 2.297 177.508 175.328 -0.195 0.000 1.081 351 H CA 1.740 57.723 56.048 -0.109 0.000 1.345 351 H CB -0.107 29.619 29.762 -0.060 0.000 1.393 351 H HN 0.583 nan 8.280 nan 0.000 0.520 352 R N 0.824 121.267 120.500 -0.096 0.000 2.066 352 R HA -0.069 4.271 4.340 0.000 0.000 0.232 352 R C 2.333 178.365 176.300 -0.446 0.000 1.131 352 R CA 0.923 56.906 56.100 -0.194 0.000 0.955 352 R CB -0.097 30.121 30.300 -0.136 0.000 0.851 352 R HN 0.198 nan 8.270 nan 0.000 0.432 353 L N -0.747 120.059 121.223 -0.694 0.000 2.095 353 L HA -0.026 4.314 4.340 0.000 0.000 0.204 353 L C 1.523 177.484 176.870 -1.515 0.000 1.080 353 L CA 1.017 55.130 54.840 -1.212 0.000 0.759 353 L CB -0.161 40.812 42.059 -1.809 0.000 0.914 353 L HN 0.182 nan 8.230 nan 0.000 0.439 354 F N -1.258 118.269 119.950 -0.706 0.000 2.704 354 F HA 0.126 4.653 4.527 0.000 0.000 0.304 354 F C 1.967 177.389 175.800 -0.630 0.000 1.094 354 F CA 0.018 57.616 58.000 -0.671 0.000 1.275 354 F CB 0.171 38.899 39.000 -0.453 0.000 1.073 354 F HN -0.008 nan 8.300 nan 0.000 0.586 355 E N -1.122 118.814 120.200 -0.440 0.000 2.601 355 E HA 0.053 4.403 4.350 0.000 0.000 0.219 355 E C -0.278 176.278 176.600 -0.074 0.000 0.964 355 E CA -0.024 56.288 56.400 -0.145 0.000 1.050 355 E CB 0.206 29.950 29.700 0.074 0.000 1.068 355 E HN 0.302 nan 8.360 nan 0.000 0.496 356 Y N -0.333 119.936 120.300 -0.052 0.000 4.177 356 Y HA -0.280 4.270 4.550 0.000 0.000 0.227 356 Y C -0.402 175.472 175.900 -0.043 0.000 1.154 356 Y CA 0.685 58.747 58.100 -0.064 0.000 1.887 356 Y CB -2.078 36.358 38.460 -0.040 0.000 1.594 356 Y HN 0.023 nan 8.280 nan 0.000 0.668 357 K N 1.933 122.336 120.400 0.005 0.000 2.183 357 K HA 0.119 4.439 4.320 0.000 0.000 0.272 357 K C 0.997 177.592 176.600 -0.009 0.000 1.113 357 K CA 0.389 56.689 56.287 0.021 0.000 0.949 357 K CB 0.394 32.910 32.500 0.028 0.000 1.365 357 K HN 0.639 nan 8.250 nan 0.000 0.420 358 E N 1.469 121.661 120.200 -0.013 0.000 2.268 358 E HA -0.194 4.156 4.350 0.000 0.000 0.195 358 E C 0.640 177.216 176.600 -0.039 0.000 0.995 358 E CA 1.276 57.626 56.400 -0.083 0.000 0.836 358 E CB 0.065 29.709 29.700 -0.094 0.000 0.763 358 E HN 0.482 nan 8.360 nan 0.000 0.491 359 D N 0.912 121.357 120.400 0.075 0.000 2.328 359 D HA -0.028 4.612 4.640 0.000 0.000 0.221 359 D C 0.134 176.574 176.300 0.233 0.000 1.072 359 D CA -0.112 54.008 54.000 0.201 0.000 0.850 359 D CB 0.113 40.983 40.800 0.118 0.000 0.922 359 D HN 0.029 nan 8.370 nan 0.000 0.516 360 S N 0.589 116.391 115.700 0.170 0.000 2.443 360 S HA 0.295 4.765 4.470 0.000 0.000 0.284 360 S C -0.210 174.521 174.600 0.219 0.000 1.206 360 S CA -0.488 57.792 58.200 0.133 0.000 1.074 360 S CB -0.250 62.995 63.200 0.075 0.000 0.963 360 S HN 0.444 nan 8.310 nan 0.000 0.501 361 K N 3.040 123.519 120.400 0.132 0.000 2.597 361 K HA 0.485 4.805 4.320 0.000 0.000 0.282 361 K C -1.700 174.896 176.600 -0.008 0.000 0.975 361 K CA -1.147 55.187 56.287 0.077 0.000 0.867 361 K CB 0.504 32.974 32.500 -0.049 0.000 1.465 361 K HN 0.366 nan 8.250 nan 0.000 0.417 362 L N 1.824 123.027 121.223 -0.033 0.000 2.305 362 L HA 0.328 4.669 4.340 0.000 0.000 0.281 362 L C -0.771 176.008 176.870 -0.153 0.000 1.085 362 L CA 0.355 55.101 54.840 -0.158 0.000 0.813 362 L CB 0.987 42.839 42.059 -0.346 0.000 1.157 362 L HN 0.735 nan 8.230 nan 0.000 0.436 363 D N 3.244 123.554 120.400 -0.150 0.000 2.325 363 D HA 0.056 4.696 4.640 0.000 0.000 0.251 363 D C 0.086 176.307 176.300 -0.131 0.000 1.196 363 D CA 0.224 54.182 54.000 -0.070 0.000 0.866 363 D CB 0.474 41.245 40.800 -0.048 0.000 1.101 363 D HN 0.499 nan 8.370 nan 0.000 0.476 364 Y N 2.063 122.334 120.300 -0.048 0.000 2.529 364 Y HA 0.122 4.672 4.550 0.000 0.000 0.290 364 Y C 0.498 176.375 175.900 -0.039 0.000 1.177 364 Y CA -0.100 57.974 58.100 -0.043 0.000 1.305 364 Y CB -0.347 38.084 38.460 -0.048 0.000 1.047 364 Y HN 0.306 nan 8.280 nan 0.000 0.522 365 N N 0.026 118.767 118.700 0.068 0.000 2.495 365 N HA 0.145 4.885 4.740 0.000 0.000 0.280 365 N C -0.331 175.183 175.510 0.007 0.000 1.168 365 N CA -0.426 52.646 53.050 0.037 0.000 0.978 365 N CB 0.269 38.775 38.487 0.031 0.000 1.191 365 N HN 0.108 nan 8.380 nan 0.000 0.497 366 N N -0.619 118.084 118.700 0.005 0.000 2.735 366 N HA -0.192 4.548 4.740 0.000 0.000 0.248 366 N C -1.194 174.302 175.510 -0.023 0.000 1.083 366 N CA 0.081 53.128 53.050 -0.005 0.000 0.703 366 N CB -1.171 37.320 38.487 0.006 0.000 1.005 366 N HN 0.454 nan 8.380 nan 0.000 0.550 367 I N 1.502 122.053 120.570 -0.032 0.000 2.416 367 I HA 0.231 4.401 4.170 0.000 0.000 0.288 367 I C -1.632 174.455 176.117 -0.050 0.000 1.051 367 I CA -1.580 59.692 61.300 -0.048 0.000 1.375 367 I CB 0.609 38.579 38.000 -0.049 0.000 1.407 367 I HN -0.072 nan 8.210 nan 0.000 0.516 368 P HA 0.346 nan 4.420 nan 0.000 0.284 368 P C -1.039 176.222 177.300 -0.064 0.000 1.258 368 P CA -0.395 62.676 63.100 -0.047 0.000 0.824 368 P CB 1.330 33.016 31.700 -0.024 0.000 1.038 369 T N 0.294 114.801 114.554 -0.078 0.000 2.912 369 T HA 0.451 4.801 4.350 0.000 0.000 0.299 369 T C -0.638 173.998 174.700 -0.106 0.000 1.052 369 T CA -0.502 61.537 62.100 -0.101 0.000 0.996 369 T CB 1.475 70.272 68.868 -0.120 0.000 1.070 369 T HN 0.117 nan 8.240 nan 0.000 0.465 370 V N 2.573 122.379 119.914 -0.181 0.000 2.540 370 V HA 0.542 4.662 4.120 0.000 0.000 0.302 370 V C -0.525 175.307 176.094 -0.437 0.000 1.035 370 V CA -0.711 61.378 62.300 -0.352 0.000 0.873 370 V CB 2.042 33.530 31.823 -0.557 0.000 0.992 370 V HN 0.761 nan 8.190 nan 0.000 0.428 371 V N 5.257 124.936 119.914 -0.391 0.000 2.398 371 V HA 0.409 4.529 4.120 0.000 0.000 0.286 371 V C -0.327 175.477 176.094 -0.484 0.000 1.026 371 V CA -0.381 61.756 62.300 -0.272 0.000 0.868 371 V CB 1.449 33.206 31.823 -0.110 0.000 0.982 371 V HN 0.741 nan 8.190 nan 0.000 0.443 372 F N 3.962 123.752 119.950 -0.266 0.000 2.640 372 F HA 0.233 4.761 4.527 0.000 0.000 0.354 372 F C 1.397 177.029 175.800 -0.281 0.000 1.213 372 F CA -0.147 57.481 58.000 -0.620 0.000 1.314 372 F CB -0.160 38.206 39.000 -1.055 0.000 1.679 372 F HN 0.594 nan 8.300 nan 0.000 0.622 373 S N -0.779 114.889 115.700 -0.055 0.000 2.566 373 S HA 0.450 4.920 4.470 0.000 0.000 0.277 373 S C -0.410 174.188 174.600 -0.005 0.000 1.150 373 S CA -0.773 57.453 58.200 0.043 0.000 1.032 373 S CB 0.850 64.066 63.200 0.027 0.000 1.157 373 S HN 0.360 nan 8.310 nan 0.000 0.507 374 H N 1.309 120.504 119.070 0.209 0.000 2.991 374 H HA 0.450 5.006 4.556 0.000 0.000 0.304 374 H C -2.746 172.629 175.328 0.079 0.000 1.040 374 H CA -1.417 54.720 56.048 0.148 0.000 1.410 374 H CB 1.089 30.879 29.762 0.047 0.000 1.529 374 H HN 0.436 nan 8.280 nan 0.000 0.509 375 P HA 0.166 nan 4.420 nan 0.000 0.276 375 P C -2.569 174.794 177.300 0.105 0.000 1.261 375 P CA -1.700 61.491 63.100 0.151 0.000 0.800 375 P CB 0.268 32.040 31.700 0.120 0.000 1.066 376 P HA 0.219 nan 4.420 nan 0.000 0.272 376 P C -0.362 176.881 177.300 -0.096 0.000 1.240 376 P CA 0.318 63.376 63.100 -0.069 0.000 0.791 376 P CB 0.520 32.112 31.700 -0.180 0.000 0.978 377 I N 0.164 120.631 120.570 -0.172 0.000 2.474 377 I HA 0.574 4.744 4.170 0.000 0.000 0.294 377 I C 0.620 176.676 176.117 -0.101 0.000 1.005 377 I CA -0.418 60.831 61.300 -0.086 0.000 1.113 377 I CB 2.114 40.079 38.000 -0.058 0.000 1.289 377 I HN 0.336 nan 8.210 nan 0.000 0.436 378 G N 2.424 111.212 108.800 -0.020 0.000 2.643 378 G HA2 0.613 4.573 3.960 0.000 0.000 0.305 378 G HA3 0.613 4.573 3.960 0.000 0.000 0.305 378 G C -1.247 173.677 174.900 0.041 0.000 1.387 378 G CA -0.359 44.728 45.100 -0.021 0.000 0.982 378 G HN 0.461 nan 8.290 nan 0.000 0.501 379 T N -0.283 114.286 114.554 0.025 0.000 2.933 379 T HA 0.651 5.001 4.350 0.000 0.000 0.305 379 T C -1.634 173.030 174.700 -0.061 0.000 1.092 379 T CA -0.518 61.592 62.100 0.018 0.000 1.008 379 T CB 1.909 70.845 68.868 0.115 0.000 1.102 379 T HN 1.144 nan 8.240 nan 0.000 0.469 380 V N 4.226 124.064 119.914 -0.128 0.000 2.851 380 V HA 0.821 4.941 4.120 0.000 0.000 0.307 380 V C 0.297 176.323 176.094 -0.114 0.000 1.129 380 V CA 1.094 63.337 62.300 -0.095 0.000 0.932 380 V CB 1.003 32.798 31.823 -0.046 0.000 1.024 380 V HN 1.782 nan 8.190 nan 0.000 0.426 381 G N 4.974 113.744 108.800 -0.050 0.000 2.615 381 G HA2 -0.130 3.830 3.960 0.000 0.000 0.218 381 G HA3 -0.130 3.830 3.960 0.000 0.000 0.218 381 G C -0.709 174.217 174.900 0.043 0.000 1.339 381 G CA -0.262 44.830 45.100 -0.014 0.000 0.884 381 G HN 1.255 nan 8.290 nan 0.000 0.559 382 L N 1.617 122.890 121.223 0.084 0.000 2.397 382 L HA 0.475 4.815 4.340 0.000 0.000 0.271 382 L C 1.799 178.817 176.870 0.246 0.000 1.148 382 L CA -0.091 54.828 54.840 0.130 0.000 0.825 382 L CB 0.902 43.047 42.059 0.144 0.000 1.117 382 L HN 1.032 nan 8.230 nan 0.000 0.456 383 T N -2.055 112.573 114.554 0.125 0.000 2.726 383 T HA 0.029 4.380 4.350 0.000 0.000 0.294 383 T C 0.955 175.684 174.700 0.050 0.000 1.013 383 T CA -0.447 61.641 62.100 -0.020 0.000 0.996 383 T CB 1.150 69.929 68.868 -0.149 0.000 1.016 383 T HN 0.765 nan 8.240 nan 0.000 0.529 384 E N 0.065 120.262 120.200 -0.006 0.000 2.110 384 E HA -0.208 4.142 4.350 0.000 0.000 0.193 384 E C 1.360 177.982 176.600 0.037 0.000 0.988 384 E CA 1.455 57.874 56.400 0.032 0.000 0.804 384 E CB -0.128 29.575 29.700 0.005 0.000 0.745 384 E HN 0.664 nan 8.360 nan 0.000 0.458 385 D N 0.420 120.827 120.400 0.013 0.000 2.144 385 D HA -0.134 4.506 4.640 0.000 0.000 0.200 385 D C 1.670 178.004 176.300 0.056 0.000 0.978 385 D CA 0.899 54.915 54.000 0.026 0.000 0.833 385 D CB -0.084 40.716 40.800 -0.000 0.000 0.961 385 D HN 0.358 nan 8.370 nan 0.000 0.470 386 E N 0.641 120.869 120.200 0.046 0.000 2.106 386 E HA -0.081 4.269 4.350 0.000 0.000 0.192 386 E C 2.052 178.727 176.600 0.126 0.000 0.984 386 E CA 0.862 57.300 56.400 0.065 0.000 0.806 386 E CB 0.043 29.764 29.700 0.035 0.000 0.750 386 E HN 0.167 nan 8.360 nan 0.000 0.458 387 A N 0.903 123.818 122.820 0.159 0.000 1.929 387 A HA -0.089 4.231 4.320 0.000 0.000 0.216 387 A C 2.115 179.854 177.584 0.257 0.000 1.176 387 A CA 0.662 52.867 52.037 0.281 0.000 0.628 387 A CB -0.370 18.779 19.000 0.249 0.000 0.816 387 A HN 0.122 nan 8.150 nan 0.000 0.444 388 I N -0.949 119.714 120.570 0.155 0.000 2.226 388 I HA -0.256 3.914 4.170 0.000 0.000 0.245 388 I C 2.554 178.730 176.117 0.099 0.000 1.100 388 I CA 1.608 62.977 61.300 0.115 0.000 1.374 388 I CB -0.321 37.725 38.000 0.076 0.000 1.057 388 I HN 0.553 nan 8.210 nan 0.000 0.413 389 H N 1.334 120.412 119.070 0.012 0.000 2.462 389 H HA -0.139 4.417 4.556 0.000 0.000 0.292 389 H C 2.052 177.338 175.328 -0.070 0.000 1.049 389 H CA 1.482 57.517 56.048 -0.023 0.000 1.334 389 H CB 0.310 30.055 29.762 -0.028 0.000 1.404 389 H HN 0.286 nan 8.280 nan 0.000 0.544 390 K N -0.622 119.719 120.400 -0.098 0.000 2.202 390 K HA -0.048 4.272 4.320 0.000 0.000 0.201 390 K C 0.934 177.233 176.600 -0.503 0.000 1.051 390 K CA 0.714 56.791 56.287 -0.351 0.000 0.977 390 K CB 0.233 32.472 32.500 -0.434 0.000 0.792 390 K HN 0.166 nan 8.250 nan 0.000 0.469 391 Y N -0.580 119.698 120.300 -0.038 0.000 2.483 391 Y HA 0.354 4.904 4.550 0.000 0.000 0.258 391 Y C 0.477 176.352 175.900 -0.042 0.000 1.083 391 Y CA 0.113 58.192 58.100 -0.035 0.000 1.283 391 Y CB 1.530 39.981 38.460 -0.015 0.000 1.178 391 Y HN 0.159 nan 8.280 nan 0.000 0.515 392 G N 0.739 109.591 108.800 0.088 0.000 2.911 392 G HA2 -0.162 3.799 3.960 0.000 0.000 0.686 392 G HA3 -0.162 3.799 3.960 0.000 0.000 0.686 392 G C 0.340 175.272 174.900 0.054 0.000 1.136 392 G CA -0.373 44.751 45.100 0.040 0.000 0.764 392 G HN 0.061 nan 8.290 nan 0.000 0.626 393 I N 1.207 121.795 120.570 0.031 0.000 2.248 393 I HA -0.233 3.937 4.170 0.000 0.000 0.248 393 I C 2.789 178.912 176.117 0.010 0.000 1.107 393 I CA 2.506 63.819 61.300 0.021 0.000 1.373 393 I CB -0.550 37.457 38.000 0.011 0.000 1.055 393 I HN 0.921 nan 8.210 nan 0.000 0.418 394 E N 0.810 121.016 120.200 0.010 0.000 2.268 394 E HA -0.193 4.157 4.350 0.000 0.000 0.195 394 E C 0.926 177.525 176.600 -0.002 0.000 0.995 394 E CA 0.966 57.367 56.400 0.001 0.000 0.836 394 E CB -0.330 29.371 29.700 0.002 0.000 0.763 394 E HN 0.534 nan 8.360 nan 0.000 0.491 395 N N 0.865 119.574 118.700 0.014 0.000 2.235 395 N HA 0.119 4.859 4.740 0.000 0.000 0.209 395 N C -0.720 174.767 175.510 -0.039 0.000 1.122 395 N CA 0.085 53.136 53.050 0.001 0.000 0.845 395 N CB 1.615 40.130 38.487 0.047 0.000 1.004 395 N HN -0.021 nan 8.380 nan 0.000 0.499 396 V N 1.105 121.003 119.914 -0.026 0.000 2.487 396 V HA 0.326 4.446 4.120 0.000 0.000 0.298 396 V C -0.173 175.878 176.094 -0.072 0.000 1.028 396 V CA -0.785 61.487 62.300 -0.047 0.000 0.860 396 V CB 2.264 34.092 31.823 0.009 0.000 0.991 396 V HN -0.013 nan 8.190 nan 0.000 0.427 397 K N 3.224 123.562 120.400 -0.104 0.000 2.443 397 K HA 0.761 5.081 4.320 0.000 0.000 0.252 397 K C -0.454 176.021 176.600 -0.207 0.000 0.933 397 K CA -0.250 55.931 56.287 -0.176 0.000 0.792 397 K CB 2.065 34.456 32.500 -0.181 0.000 1.185 397 K HN 0.834 nan 8.250 nan 0.000 0.425 398 T N 0.182 114.570 114.554 -0.277 0.000 2.908 398 T HA 0.565 4.915 4.350 0.000 0.000 0.290 398 T C -0.993 173.479 174.700 -0.380 0.000 1.034 398 T CA -0.613 61.374 62.100 -0.189 0.000 1.010 398 T CB 0.672 69.499 68.868 -0.069 0.000 1.068 398 T HN 0.398 nan 8.240 nan 0.000 0.481 399 Y N 0.537 120.813 120.300 -0.040 0.000 2.462 399 Y HA 0.674 5.224 4.550 0.000 0.000 0.346 399 Y C 0.430 176.321 175.900 -0.015 0.000 0.976 399 Y CA -0.621 57.460 58.100 -0.032 0.000 1.044 399 Y CB 2.650 41.077 38.460 -0.056 0.000 1.230 399 Y HN 1.138 nan 8.280 nan 0.000 0.455 400 S N 0.376 116.170 115.700 0.157 0.000 2.596 400 S HA 0.837 5.307 4.470 0.000 0.000 0.270 400 S C -1.105 173.569 174.600 0.123 0.000 1.155 400 S CA -0.771 57.498 58.200 0.116 0.000 0.827 400 S CB 2.275 65.524 63.200 0.081 0.000 1.130 400 S HN 0.670 nan 8.310 nan 0.000 0.467 401 T N -0.029 114.609 114.554 0.140 0.000 2.883 401 T HA 0.773 5.123 4.350 0.000 0.000 0.301 401 T C -1.677 173.148 174.700 0.208 0.000 1.158 401 T CA -0.302 61.911 62.100 0.187 0.000 1.007 401 T CB 1.749 70.753 68.868 0.227 0.000 1.186 401 T HN 1.280 nan 8.240 nan 0.000 0.499 402 S N 2.629 118.473 115.700 0.239 0.000 2.668 402 S HA 0.796 5.266 4.470 0.000 0.000 0.277 402 S C -1.485 173.267 174.600 0.253 0.000 1.170 402 S CA -0.721 57.568 58.200 0.149 0.000 0.994 402 S CB 0.172 63.418 63.200 0.077 0.000 1.051 402 S HN 0.741 nan 8.310 nan 0.000 0.484 403 F N 0.224 120.216 119.950 0.070 0.000 2.711 403 F HA 0.728 5.255 4.527 0.000 0.000 0.313 403 F C -0.741 175.118 175.800 0.099 0.000 1.141 403 F CA -0.951 57.096 58.000 0.078 0.000 0.941 403 F CB 0.975 40.023 39.000 0.081 0.000 1.349 403 F HN 0.261 nan 8.300 nan 0.000 0.464 404 T N 2.941 117.653 114.554 0.263 0.000 2.733 404 T HA 0.455 4.805 4.350 0.000 0.000 0.294 404 T C -2.671 172.251 174.700 0.370 0.000 0.956 404 T CA -1.117 61.106 62.100 0.204 0.000 0.987 404 T CB 0.771 69.746 68.868 0.179 0.000 0.920 404 T HN 0.324 nan 8.240 nan 0.000 0.470 405 P HA 0.044 nan 4.420 nan 0.000 0.266 405 P C 1.079 178.588 177.300 0.347 0.000 1.195 405 P CA -0.204 63.145 63.100 0.415 0.000 0.768 405 P CB 0.459 32.347 31.700 0.313 0.000 0.838 406 M N 3.632 123.403 119.600 0.285 0.000 2.192 406 M HA -0.291 4.189 4.480 0.000 0.000 0.259 406 M C 1.685 178.083 176.300 0.164 0.000 1.071 406 M CA 1.839 57.252 55.300 0.188 0.000 1.082 406 M CB -0.710 31.972 32.600 0.138 0.000 1.373 406 M HN 0.373 nan 8.290 nan 0.000 0.408 407 Y N 0.205 120.543 120.300 0.064 0.000 2.241 407 Y HA -0.284 4.266 4.550 0.000 0.000 0.286 407 Y C 1.640 177.549 175.900 0.015 0.000 1.166 407 Y CA 2.053 60.158 58.100 0.008 0.000 1.203 407 Y CB -0.347 38.026 38.460 -0.146 0.000 0.977 407 Y HN 0.401 nan 8.280 nan 0.000 0.529 408 H N -0.552 118.597 119.070 0.132 0.000 2.517 408 H HA 0.354 4.910 4.556 0.000 0.000 0.282 408 H C 2.042 177.353 175.328 -0.028 0.000 1.023 408 H CA 0.469 56.534 56.048 0.027 0.000 1.169 408 H CB -0.053 29.806 29.762 0.162 0.000 1.454 408 H HN 0.507 nan 8.280 nan 0.000 0.556 409 A N 1.033 123.889 122.820 0.061 0.000 2.019 409 A HA -0.101 4.220 4.320 0.000 0.000 0.219 409 A C 2.079 179.625 177.584 -0.063 0.000 1.164 409 A CA 1.753 53.802 52.037 0.021 0.000 0.644 409 A CB -0.370 18.641 19.000 0.018 0.000 0.805 409 A HN 0.271 nan 8.150 nan 0.000 0.449 410 V N -2.931 116.875 119.914 -0.180 0.000 3.276 410 V HA 0.277 4.397 4.120 0.000 0.000 0.319 410 V C 0.431 176.355 176.094 -0.282 0.000 1.427 410 V CA 0.440 62.573 62.300 -0.278 0.000 1.102 410 V CB -0.869 30.675 31.823 -0.464 0.000 1.020 410 V HN 0.481 nan 8.190 nan 0.000 0.456 411 T N -2.949 111.518 114.554 -0.145 0.000 2.918 411 T HA 0.519 4.869 4.350 0.000 0.000 0.286 411 T C 0.471 175.182 174.700 0.020 0.000 1.026 411 T CA -0.531 61.550 62.100 -0.033 0.000 1.031 411 T CB 2.464 71.413 68.868 0.135 0.000 1.046 411 T HN 0.174 nan 8.240 nan 0.000 0.479 412 K N -0.103 120.315 120.400 0.030 0.000 2.186 412 K HA 0.105 4.425 4.320 0.000 0.000 0.202 412 K C 1.303 177.913 176.600 0.017 0.000 1.052 412 K CA 0.244 56.541 56.287 0.017 0.000 0.965 412 K CB 0.147 32.656 32.500 0.015 0.000 0.746 412 K HN 0.478 nan 8.250 nan 0.000 0.457 413 R N 1.776 122.311 120.500 0.058 0.000 2.490 413 R HA 0.058 4.398 4.340 0.000 0.000 0.280 413 R C -0.725 175.519 176.300 -0.093 0.000 1.077 413 R CA 0.216 56.336 56.100 0.034 0.000 1.065 413 R CB 0.504 30.886 30.300 0.137 0.000 1.003 413 R HN -0.179 nan 8.270 nan 0.000 0.470 414 K N 2.177 122.445 120.400 -0.221 0.000 2.477 414 K HA 0.377 4.697 4.320 0.000 0.000 0.255 414 K C -0.872 175.487 176.600 -0.401 0.000 0.952 414 K CA -0.745 55.240 56.287 -0.504 0.000 0.826 414 K CB 2.278 34.637 32.500 -0.234 0.000 1.331 414 K HN 0.868 nan 8.250 nan 0.000 0.437 415 T N -2.028 112.239 114.554 -0.478 0.000 2.864 415 T HA 0.557 4.907 4.350 0.000 0.000 0.299 415 T C -0.653 174.039 174.700 -0.014 0.000 1.166 415 T CA -0.885 61.163 62.100 -0.087 0.000 1.007 415 T CB 2.631 71.577 68.868 0.130 0.000 1.219 415 T HN 0.429 nan 8.240 nan 0.000 0.506 416 K N -0.511 119.881 120.400 -0.014 0.000 2.238 416 K HA 0.711 5.031 4.320 0.000 0.000 0.239 416 K C -1.386 175.130 176.600 -0.140 0.000 0.987 416 K CA -0.955 55.291 56.287 -0.069 0.000 0.857 416 K CB 2.040 34.503 32.500 -0.062 0.000 1.154 416 K HN 0.819 nan 8.250 nan 0.000 0.439 417 C N 3.116 122.199 119.300 -0.362 0.000 2.369 417 C HA 0.690 5.151 4.460 0.000 0.000 0.322 417 C C -1.053 173.702 174.990 -0.392 0.000 1.258 417 C CA -0.430 58.303 59.018 -0.474 0.000 1.487 417 C CB -0.077 27.076 27.740 -0.979 0.000 2.165 417 C HN 0.504 nan 8.230 nan 0.000 0.483 418 V N 5.099 124.920 119.914 -0.154 0.000 2.604 418 V HA 0.793 4.913 4.120 0.000 0.000 0.305 418 V C -0.625 175.483 176.094 0.024 0.000 1.043 418 V CA -0.643 61.632 62.300 -0.042 0.000 0.888 418 V CB 1.633 33.451 31.823 -0.007 0.000 0.995 418 V HN 0.940 nan 8.190 nan 0.000 0.429 419 M N 3.817 123.465 119.600 0.080 0.000 2.446 419 M HA 0.645 5.125 4.480 0.000 0.000 0.294 419 M C -0.950 175.400 176.300 0.084 0.000 1.158 419 M CA -0.521 54.829 55.300 0.083 0.000 0.899 419 M CB 2.863 35.525 32.600 0.103 0.000 1.687 419 M HN 0.845 nan 8.290 nan 0.000 0.455 420 K N 3.024 123.472 120.400 0.079 0.000 2.482 420 K HA 0.698 5.018 4.320 0.000 0.000 0.251 420 K C -1.834 174.794 176.600 0.047 0.000 0.936 420 K CA -0.541 55.803 56.287 0.096 0.000 0.791 420 K CB 2.401 34.993 32.500 0.152 0.000 1.213 420 K HN 0.855 nan 8.250 nan 0.000 0.428 421 M N 5.297 124.921 119.600 0.039 0.000 2.243 421 M HA 0.380 4.860 4.480 0.000 0.000 0.324 421 M C -1.593 174.725 176.300 0.030 0.000 1.031 421 M CA -0.848 54.430 55.300 -0.037 0.000 0.949 421 M CB 1.615 34.144 32.600 -0.119 0.000 1.615 421 M HN 0.381 nan 8.290 nan 0.000 0.430 422 V N 5.114 125.023 119.914 -0.008 0.000 2.333 422 V HA 0.372 4.492 4.120 0.000 0.000 0.274 422 V C -0.413 175.657 176.094 -0.039 0.000 1.028 422 V CA -0.590 61.718 62.300 0.013 0.000 0.851 422 V CB 0.690 32.556 31.823 0.072 0.000 1.000 422 V HN 0.970 nan 8.190 nan 0.000 0.456 423 C N 4.048 123.325 119.300 -0.038 0.000 2.397 423 C HA 0.950 5.411 4.460 0.000 0.000 0.343 423 C C 0.622 175.514 174.990 -0.165 0.000 1.188 423 C CA -0.609 58.361 59.018 -0.081 0.000 1.992 423 C CB 1.090 28.833 27.740 0.005 0.000 2.358 423 C HN 0.982 nan 8.230 nan 0.000 0.518 424 A N 2.797 125.455 122.820 -0.270 0.000 2.414 424 A HA 0.844 5.164 4.320 0.000 0.000 0.306 424 A C -0.368 177.024 177.584 -0.320 0.000 1.054 424 A CA -0.396 51.358 52.037 -0.472 0.000 0.724 424 A CB 0.489 18.782 19.000 -1.178 0.000 1.267 424 A HN 1.159 nan 8.150 nan 0.000 0.418 425 N N -0.074 118.481 118.700 -0.241 0.000 6.841 425 N HA -0.205 4.535 4.740 0.000 0.000 0.420 425 N C 0.797 176.264 175.510 -0.073 0.000 0.944 425 N CA 0.747 53.727 53.050 -0.117 0.000 1.444 425 N CB -0.147 38.284 38.487 -0.092 0.000 0.807 425 N HN 0.837 nan 8.380 nan 0.000 0.332 426 K N 1.462 121.838 120.400 -0.039 0.000 2.097 426 K HA -0.165 4.155 4.320 0.000 0.000 0.205 426 K C 1.191 177.782 176.600 -0.015 0.000 1.050 426 K CA 1.946 58.221 56.287 -0.020 0.000 0.938 426 K CB -0.094 32.400 32.500 -0.010 0.000 0.718 426 K HN 0.621 nan 8.250 nan 0.000 0.442 427 E N 1.114 121.301 120.200 -0.022 0.000 2.268 427 E HA -0.159 4.191 4.350 0.000 0.000 0.195 427 E C -0.368 176.219 176.600 -0.022 0.000 0.995 427 E CA 0.540 56.931 56.400 -0.016 0.000 0.836 427 E CB -0.432 29.258 29.700 -0.016 0.000 0.763 427 E HN 0.389 nan 8.360 nan 0.000 0.491 428 E N 1.107 121.284 120.200 -0.039 0.000 2.257 428 E HA -0.189 4.161 4.350 0.000 0.000 0.217 428 E C -0.419 176.141 176.600 -0.065 0.000 1.248 428 E CA 0.492 56.867 56.400 -0.041 0.000 0.691 428 E CB -1.374 28.330 29.700 0.007 0.000 1.185 428 E HN 0.253 nan 8.360 nan 0.000 0.377 429 K N 0.649 120.995 120.400 -0.090 0.000 2.401 429 K HA 0.176 4.496 4.320 0.000 0.000 0.278 429 K C -0.064 176.474 176.600 -0.103 0.000 1.018 429 K CA -0.231 56.009 56.287 -0.079 0.000 0.981 429 K CB 0.819 33.263 32.500 -0.093 0.000 0.933 429 K HN 0.023 nan 8.250 nan 0.000 0.477 430 V N 6.847 126.708 119.914 -0.089 0.000 2.387 430 V HA -0.007 4.114 4.120 0.000 0.000 0.260 430 V C 0.934 176.984 176.094 -0.072 0.000 1.054 430 V CA -0.096 62.122 62.300 -0.137 0.000 0.967 430 V CB 0.620 32.300 31.823 -0.238 0.000 1.036 430 V HN 0.783 nan 8.190 nan 0.000 0.481 431 V N 2.080 121.953 119.914 -0.069 0.000 3.660 431 V HA 0.659 4.779 4.120 0.000 0.000 0.276 431 V C 0.760 176.851 176.094 -0.005 0.000 1.317 431 V CA 0.661 62.958 62.300 -0.005 0.000 1.097 431 V CB 0.128 31.977 31.823 0.045 0.000 0.863 431 V HN 0.787 nan 8.190 nan 0.000 0.438 432 G N 0.118 108.877 108.800 -0.068 0.000 2.755 432 G HA2 0.686 4.646 3.960 0.000 0.000 0.297 432 G HA3 0.686 4.646 3.960 0.000 0.000 0.297 432 G C -1.614 173.082 174.900 -0.340 0.000 1.441 432 G CA -0.623 44.379 45.100 -0.163 0.000 0.964 432 G HN 0.164 nan 8.290 nan 0.000 0.540 433 I N 2.191 122.425 120.570 -0.560 0.000 2.533 433 I HA 0.453 4.623 4.170 0.000 0.000 0.290 433 I C -1.026 174.668 176.117 -0.705 0.000 1.056 433 I CA -0.931 60.077 61.300 -0.486 0.000 1.057 433 I CB 2.511 40.364 38.000 -0.246 0.000 1.240 433 I HN 0.428 nan 8.210 nan 0.000 0.423 434 H N 7.731 126.791 119.070 -0.017 0.000 2.759 434 H HA 0.698 5.254 4.556 0.000 0.000 0.354 434 H C -0.920 174.415 175.328 0.012 0.000 1.074 434 H CA -0.734 55.320 56.048 0.010 0.000 1.226 434 H CB 2.300 32.078 29.762 0.027 0.000 1.648 434 H HN 0.592 nan 8.280 nan 0.000 0.529 435 M N 1.028 120.699 119.600 0.117 0.000 2.603 435 M HA 0.496 4.976 4.480 0.000 0.000 0.275 435 M C -1.761 174.569 176.300 0.050 0.000 1.226 435 M CA -0.916 54.424 55.300 0.067 0.000 0.870 435 M CB 3.614 36.237 32.600 0.038 0.000 1.716 435 M HN 0.452 nan 8.290 nan 0.000 0.482 436 Q N 0.786 120.599 119.800 0.023 0.000 2.289 436 Q HA 0.809 5.149 4.340 0.000 0.000 0.270 436 Q C -1.252 174.742 176.000 -0.011 0.000 1.038 436 Q CA -0.202 55.604 55.803 0.006 0.000 0.812 436 Q CB 2.809 31.548 28.738 0.001 0.000 1.300 436 Q HN 1.245 nan 8.270 nan 0.000 0.427 437 G N 1.857 110.664 108.800 0.012 0.000 2.347 437 G HA2 0.145 4.105 3.960 0.000 0.000 0.303 437 G HA3 0.145 4.105 3.960 0.000 0.000 0.303 437 G C -1.613 173.331 174.900 0.073 0.000 1.481 437 G CA -1.103 44.006 45.100 0.015 0.000 0.914 437 G HN 0.608 nan 8.290 nan 0.000 0.638 438 L N 1.200 122.482 121.223 0.098 0.000 2.540 438 L HA 0.337 4.677 4.340 0.000 0.000 0.276 438 L C 1.776 178.720 176.870 0.124 0.000 1.212 438 L CA 1.795 56.709 54.840 0.123 0.000 0.893 438 L CB 0.571 42.688 42.059 0.097 0.000 1.138 438 L HN 2.010 nan 8.230 nan 0.000 0.491 439 G N 1.675 110.561 108.800 0.144 0.000 2.199 439 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 439 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 439 G C 0.842 175.813 174.900 0.118 0.000 0.982 439 G CA 0.192 45.371 45.100 0.133 0.000 0.632 439 G HN 0.713 nan 8.290 nan 0.000 0.529 440 C N 2.013 121.371 119.300 0.096 0.000 2.432 440 C HA 0.052 4.513 4.460 0.000 0.000 0.282 440 C C 2.676 177.672 174.990 0.010 0.000 1.388 440 C CA 1.339 60.395 59.018 0.062 0.000 1.777 440 C CB -0.743 27.018 27.740 0.034 0.000 1.882 440 C HN 0.771 nan 8.230 nan 0.000 0.520 441 D N 0.953 121.341 120.400 -0.019 0.000 2.144 441 D HA -0.140 4.500 4.640 0.000 0.000 0.200 441 D C 1.525 177.832 176.300 0.011 0.000 0.978 441 D CA 1.264 55.202 54.000 -0.102 0.000 0.833 441 D CB -0.546 40.194 40.800 -0.101 0.000 0.961 441 D HN 0.420 nan 8.370 nan 0.000 0.470 442 E N -0.581 119.660 120.200 0.068 0.000 2.472 442 E HA 0.126 4.476 4.350 0.000 0.000 0.196 442 E C 1.793 178.429 176.600 0.059 0.000 1.033 442 E CA -0.130 56.312 56.400 0.069 0.000 0.886 442 E CB 0.310 30.059 29.700 0.081 0.000 0.944 442 E HN 0.383 nan 8.360 nan 0.000 0.492 443 M N 0.130 119.783 119.600 0.089 0.000 2.435 443 M HA 0.004 4.484 4.480 0.000 0.000 0.265 443 M C 1.855 178.269 176.300 0.191 0.000 1.104 443 M CA 0.328 55.713 55.300 0.141 0.000 1.140 443 M CB 0.261 32.991 32.600 0.217 0.000 1.372 443 M HN 0.084 nan 8.290 nan 0.000 0.456 444 L N 0.738 122.050 121.223 0.149 0.000 2.056 444 L HA -0.190 4.150 4.340 0.000 0.000 0.207 444 L C 2.260 179.197 176.870 0.112 0.000 1.078 444 L CA 1.910 56.853 54.840 0.171 0.000 0.749 444 L CB -0.704 41.399 42.059 0.074 0.000 0.901 444 L HN 0.313 nan 8.230 nan 0.000 0.433 445 Q N -0.304 119.516 119.800 0.033 0.000 2.047 445 Q HA -0.215 4.125 4.340 0.000 0.000 0.211 445 Q C 2.090 178.065 176.000 -0.042 0.000 1.005 445 Q CA 2.574 58.375 55.803 -0.005 0.000 0.866 445 Q CB -1.048 27.680 28.738 -0.017 0.000 0.938 445 Q HN 0.551 nan 8.270 nan 0.000 0.414 446 G N -1.471 107.249 108.800 -0.133 0.000 2.422 446 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 446 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 446 G C 0.976 175.745 174.900 -0.219 0.000 1.140 446 G CA 0.734 45.698 45.100 -0.227 0.000 0.775 446 G HN 0.388 nan 8.290 nan 0.000 0.545 447 F N 1.656 121.586 119.950 -0.033 0.000 2.293 447 F HA 0.149 4.676 4.527 0.000 0.000 0.300 447 F C 2.912 178.731 175.800 0.032 0.000 1.086 447 F CA 0.561 58.561 58.000 -0.001 0.000 1.375 447 F CB -0.312 38.741 39.000 0.088 0.000 1.045 447 F HN 0.226 nan 8.300 nan 0.000 0.516 448 A N -0.070 122.847 122.820 0.162 0.000 1.972 448 A HA -0.095 4.225 4.320 0.000 0.000 0.219 448 A C 2.352 179.967 177.584 0.052 0.000 1.169 448 A CA 1.705 53.795 52.037 0.089 0.000 0.635 448 A CB -1.125 17.901 19.000 0.043 0.000 0.810 448 A HN 0.179 nan 8.150 nan 0.000 0.446 449 V N -0.169 119.756 119.914 0.017 0.000 2.307 449 V HA -0.234 3.886 4.120 0.000 0.000 0.245 449 V C 3.055 179.154 176.094 0.010 0.000 1.045 449 V CA 1.897 64.192 62.300 -0.009 0.000 1.024 449 V CB -1.257 30.537 31.823 -0.048 0.000 0.651 449 V HN 0.604 nan 8.190 nan 0.000 0.449 450 A N -0.250 122.582 122.820 0.020 0.000 1.902 450 A HA -0.163 4.157 4.320 0.000 0.000 0.217 450 A C 2.402 180.069 177.584 0.138 0.000 1.181 450 A CA 2.124 54.191 52.037 0.048 0.000 0.623 450 A CB -0.718 18.270 19.000 -0.019 0.000 0.818 450 A HN 0.324 nan 8.150 nan 0.000 0.443 451 V N 0.105 120.124 119.914 0.175 0.000 2.358 451 V HA -0.230 3.890 4.120 0.000 0.000 0.246 451 V C 2.566 178.708 176.094 0.079 0.000 1.047 451 V CA 2.419 64.805 62.300 0.145 0.000 1.035 451 V CB -0.586 31.308 31.823 0.119 0.000 0.658 451 V HN 0.633 nan 8.190 nan 0.000 0.452 452 K N 0.116 120.548 120.400 0.054 0.000 2.103 452 K HA -0.113 4.207 4.320 0.000 0.000 0.207 452 K C 1.892 178.508 176.600 0.028 0.000 1.048 452 K CA 1.782 58.086 56.287 0.028 0.000 0.930 452 K CB -0.327 32.178 32.500 0.009 0.000 0.716 452 K HN 0.399 nan 8.250 nan 0.000 0.444 453 M N -0.952 118.668 119.600 0.032 0.000 2.595 453 M HA 0.115 4.595 4.480 0.000 0.000 0.248 453 M C 0.478 176.801 176.300 0.038 0.000 1.119 453 M CA 0.805 56.121 55.300 0.026 0.000 1.079 453 M CB 0.413 33.023 32.600 0.018 0.000 1.472 453 M HN 0.402 nan 8.290 nan 0.000 0.501 454 G N 1.417 110.250 108.800 0.054 0.000 2.248 454 G HA2 -0.128 3.832 3.960 0.000 0.000 0.252 454 G HA3 -0.128 3.832 3.960 0.000 0.000 0.252 454 G C 0.012 174.955 174.900 0.072 0.000 1.085 454 G CA -0.042 45.092 45.100 0.056 0.000 0.845 454 G HN 0.674 nan 8.290 nan 0.000 0.494 455 A N -0.111 122.781 122.820 0.119 0.000 2.406 455 A HA 0.846 5.166 4.320 0.000 0.000 0.243 455 A C 1.081 178.746 177.584 0.136 0.000 1.082 455 A CA 1.108 53.246 52.037 0.169 0.000 0.786 455 A CB 0.428 19.632 19.000 0.342 0.000 1.029 455 A HN 1.957 nan 8.150 nan 0.000 0.495 456 T N -1.503 113.125 114.554 0.123 0.000 2.919 456 T HA 0.461 4.811 4.350 0.000 0.000 0.282 456 T C 0.835 175.565 174.700 0.051 0.000 1.020 456 T CA -0.163 61.964 62.100 0.045 0.000 0.994 456 T CB 1.166 70.050 68.868 0.028 0.000 1.180 456 T HN 0.577 nan 8.240 nan 0.000 0.566 457 K N 0.244 120.610 120.400 -0.057 0.000 2.211 457 K HA 0.129 4.449 4.320 0.000 0.000 0.203 457 K C 2.210 178.811 176.600 0.002 0.000 1.050 457 K CA 1.484 57.693 56.287 -0.130 0.000 0.945 457 K CB -0.938 31.433 32.500 -0.215 0.000 0.732 457 K HN 0.674 nan 8.250 nan 0.000 0.451 458 A N 0.824 123.661 122.820 0.027 0.000 1.969 458 A HA -0.130 4.190 4.320 0.000 0.000 0.218 458 A C 1.597 179.232 177.584 0.085 0.000 1.169 458 A CA 1.695 53.756 52.037 0.040 0.000 0.635 458 A CB -0.440 18.574 19.000 0.023 0.000 0.810 458 A HN 0.393 nan 8.150 nan 0.000 0.445 459 D N -0.756 119.726 120.400 0.137 0.000 2.117 459 D HA -0.107 4.533 4.640 0.000 0.000 0.198 459 D C 1.553 177.950 176.300 0.162 0.000 0.982 459 D CA 1.098 55.179 54.000 0.136 0.000 0.828 459 D CB -0.316 40.575 40.800 0.152 0.000 0.967 459 D HN 0.432 nan 8.370 nan 0.000 0.464 460 F N 1.756 121.706 119.950 0.001 0.000 2.113 460 F HA -0.114 4.413 4.527 0.000 0.000 0.297 460 F C 2.195 177.992 175.800 -0.005 0.000 1.103 460 F CA 0.908 58.919 58.000 0.018 0.000 1.248 460 F CB -0.504 38.490 39.000 -0.010 0.000 0.999 460 F HN -0.144 nan 8.300 nan 0.000 0.475 461 D N -0.442 120.065 120.400 0.178 0.000 2.218 461 D HA -0.132 4.508 4.640 0.000 0.000 0.204 461 D C 1.452 177.777 176.300 0.041 0.000 0.976 461 D CA 0.879 54.919 54.000 0.067 0.000 0.853 461 D CB -0.448 40.355 40.800 0.005 0.000 0.939 461 D HN 0.229 nan 8.370 nan 0.000 0.481 462 N N -0.011 118.715 118.700 0.043 0.000 2.383 462 N HA -0.006 4.734 4.740 0.000 0.000 0.192 462 N C -0.323 175.190 175.510 0.005 0.000 1.141 462 N CA 0.285 53.346 53.050 0.018 0.000 0.851 462 N CB 0.505 39.002 38.487 0.015 0.000 0.976 462 N HN 0.026 nan 8.380 nan 0.000 0.465 463 T N 0.784 115.340 114.554 0.005 0.000 2.767 463 T HA 0.281 4.631 4.350 0.000 0.000 0.288 463 T C 0.535 175.233 174.700 -0.003 0.000 0.963 463 T CA -0.450 61.639 62.100 -0.018 0.000 1.019 463 T CB 2.225 71.059 68.868 -0.057 0.000 0.923 463 T HN -0.253 nan 8.240 nan 0.000 0.468 464 V N 3.326 123.234 119.914 -0.009 0.000 2.673 464 V HA 0.320 4.441 4.120 0.000 0.000 0.303 464 V C 0.992 177.091 176.094 0.008 0.000 1.046 464 V CA -0.510 61.789 62.300 -0.002 0.000 1.126 464 V CB 0.277 32.096 31.823 -0.006 0.000 0.934 464 V HN 1.093 nan 8.190 nan 0.000 0.487 465 A N 6.193 129.025 122.820 0.019 0.000 2.366 465 A HA 0.597 4.917 4.320 0.000 0.000 0.249 465 A C -0.217 177.399 177.584 0.052 0.000 1.084 465 A CA -0.305 51.757 52.037 0.042 0.000 0.794 465 A CB 0.073 19.096 19.000 0.039 0.000 1.034 465 A HN 0.754 nan 8.150 nan 0.000 0.491 466 I N 1.454 122.067 120.570 0.072 0.000 2.330 466 I HA 0.268 4.438 4.170 0.000 0.000 0.289 466 I C -0.301 175.893 176.117 0.128 0.000 1.001 466 I CA -0.102 61.244 61.300 0.076 0.000 1.193 466 I CB 1.029 39.055 38.000 0.043 0.000 1.345 466 I HN 0.779 nan 8.210 nan 0.000 0.461 467 H N 7.556 126.633 119.070 0.011 0.000 2.495 467 H HA 0.635 5.192 4.556 0.000 0.000 0.348 467 H C -2.524 172.813 175.328 0.016 0.000 1.113 467 H CA -1.802 54.253 56.048 0.012 0.000 1.195 467 H CB 1.697 31.462 29.762 0.004 0.000 1.521 467 H HN 0.307 nan 8.280 nan 0.000 0.509 468 P HA 0.340 nan 4.420 nan 0.000 0.304 468 P C -1.258 175.946 177.300 -0.160 0.000 1.360 468 P CA -0.655 62.062 63.100 -0.638 0.000 0.869 468 P CB 1.641 32.929 31.700 -0.687 0.000 0.988 469 T N -2.199 112.341 114.554 -0.023 0.000 2.787 469 T HA 0.394 4.744 4.350 0.000 0.000 0.297 469 T C 0.680 175.446 174.700 0.111 0.000 1.221 469 T CA -0.475 61.658 62.100 0.054 0.000 1.006 469 T CB 1.112 70.022 68.868 0.070 0.000 1.328 469 T HN -0.032 nan 8.240 nan 0.000 0.509 470 S N 0.427 116.234 115.700 0.178 0.000 2.406 470 S HA -0.007 4.463 4.470 0.000 0.000 0.224 470 S C 2.334 177.084 174.600 0.250 0.000 1.030 470 S CA 1.082 59.456 58.200 0.290 0.000 0.958 470 S CB -0.524 62.904 63.200 0.380 0.000 0.811 470 S HN 0.931 nan 8.310 nan 0.000 0.489 471 S N 2.811 118.643 115.700 0.220 0.000 2.400 471 S HA -0.240 4.230 4.470 0.000 0.000 0.232 471 S C 1.726 176.478 174.600 0.253 0.000 1.025 471 S CA 1.439 59.804 58.200 0.274 0.000 0.993 471 S CB -0.727 62.635 63.200 0.270 0.000 0.808 471 S HN 0.808 nan 8.310 nan 0.000 0.478 472 E N 1.148 121.449 120.200 0.169 0.000 2.265 472 E HA -0.170 4.180 4.350 0.000 0.000 0.196 472 E C 1.551 178.201 176.600 0.083 0.000 0.996 472 E CA 1.032 57.510 56.400 0.129 0.000 0.832 472 E CB -0.312 29.453 29.700 0.109 0.000 0.756 472 E HN 0.430 nan 8.360 nan 0.000 0.491 473 E N 1.118 121.349 120.200 0.052 0.000 2.153 473 E HA -0.109 4.241 4.350 0.000 0.000 0.194 473 E C 2.105 178.726 176.600 0.034 0.000 0.988 473 E CA 0.675 57.073 56.400 -0.003 0.000 0.811 473 E CB -0.157 29.534 29.700 -0.014 0.000 0.746 473 E HN 0.452 nan 8.360 nan 0.000 0.466 474 L N 0.658 121.912 121.223 0.052 0.000 2.376 474 L HA -0.063 4.277 4.340 0.000 0.000 0.219 474 L C 1.994 178.930 176.870 0.110 0.000 1.133 474 L CA 0.597 55.428 54.840 -0.015 0.000 0.816 474 L CB 0.040 41.910 42.059 -0.315 0.000 0.933 474 L HN 0.038 nan 8.230 nan 0.000 0.449 475 V N -4.907 115.096 119.914 0.149 0.000 3.542 475 V HA 0.126 4.247 4.120 0.000 0.000 0.296 475 V C 1.148 177.282 176.094 0.067 0.000 1.364 475 V CA 0.620 63.024 62.300 0.173 0.000 1.118 475 V CB -0.166 31.758 31.823 0.168 0.000 0.972 475 V HN 0.403 nan 8.190 nan 0.000 0.430 476 T N -1.752 112.814 114.554 0.021 0.000 3.442 476 T HA 0.489 4.839 4.350 0.000 0.000 0.295 476 T C -0.010 174.665 174.700 -0.043 0.000 1.007 476 T CA -0.271 61.819 62.100 -0.017 0.000 0.962 476 T CB -0.338 68.517 68.868 -0.021 0.000 1.187 476 T HN 0.301 nan 8.240 nan 0.000 0.490 477 L N 1.626 122.803 121.223 -0.077 0.000 2.397 477 L HA 0.591 4.931 4.340 0.000 0.000 0.271 477 L C 0.751 177.541 176.870 -0.133 0.000 1.148 477 L CA -0.470 54.315 54.840 -0.091 0.000 0.825 477 L CB 0.795 42.767 42.059 -0.145 0.000 1.117 477 L HN 0.216 nan 8.230 nan 0.000 0.456 478 R N 0.000 120.500 120.500 0.001 0.000 2.786 478 R HA 0.000 4.340 4.340 0.000 0.000 0.208 478 R CA 0.000 56.137 56.100 0.061 0.000 0.921 478 R CB 0.000 30.319 30.300 0.031 0.000 0.687 478 R HN 0.000 nan 8.270 nan 0.000 0.535