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 2nuu_1_D DATA FIRST_RESID -3 DATA SEQUENCE HHHHHHAVAD KADNAFMMIC TALVLFMTIP GIALFYGGLI RGKNVLSMLT DATA SEQUENCE QVTVTFALVC ILWVVYGYSL AFGEGNNFFG NINWLMLKNI ELTAVMGSIY DATA SEQUENCE QYIHVAFQGS FACITVGLIV GALAERIRFS AVLIFVVVWL TLSYIPIAHM DATA SEQUENCE VWGGGLLASH GALDFAGGTV VHINAAIAGL VGAYLIGKRV GFGKEAFKPH DATA SEQUENCE NLPMVFTGTA ILYIGWFGFN AGSAGTANEI AALAFVNTVV ATAAAILGWI DATA SEQUENCE FGEWALRGKP SLLGACSGAI AGLVGVTPAC GYIGVGGALI IGVVAGLAGL DATA SEQUENCE WGVTMLKRLL RVDDPCDVFG VHGVCGIVGC IMTGIFAASS LGGVGFAEGV DATA SEQUENCE TMGHQLLVQL ESIAITIVWS GVVAFIGYKL ADLTVGLRVP EEQEREGLDV DATA SEQUENCE NSHGENAYNA 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 -3 H HA 0.000 nan 4.556 nan 0.000 0.296 -3 H C 0.000 175.436 175.328 0.180 0.000 0.993 -3 H CA 0.000 56.083 56.048 0.059 0.000 1.023 -3 H CB 0.000 29.708 29.762 -0.089 0.000 1.292 -2 H N -1.554 117.511 119.070 -0.008 0.000 4.188 -2 H HA -0.263 4.293 4.556 0.000 0.000 0.157 -2 H C 1.273 176.678 175.328 0.129 0.000 0.845 -2 H CA 2.819 58.864 56.048 -0.005 0.000 1.246 -2 H CB -1.261 28.422 29.762 -0.131 0.000 0.933 -2 H HN 0.931 nan 8.280 nan 0.000 0.413 -1 H N -1.006 118.190 119.070 0.209 0.000 2.179 -1 H HA 0.165 4.722 4.556 0.000 0.000 0.246 -1 H C 1.938 177.416 175.328 0.249 0.000 0.904 -1 H CA 0.882 57.057 56.048 0.212 0.000 1.113 -1 H CB -0.361 29.511 29.762 0.182 0.000 1.396 -1 H HN 0.530 nan 8.280 nan 0.000 0.484 0 H N -1.085 117.546 119.070 -0.732 0.000 2.539 0 H HA 0.167 4.723 4.556 0.000 0.000 0.269 0 H C 0.539 175.850 175.328 -0.028 0.000 0.980 0 H CA -0.206 55.573 56.048 -0.448 0.000 1.152 0 H CB -0.387 29.036 29.762 -0.564 0.000 1.407 0 H HN 0.421 nan 8.280 nan 0.000 0.564 1 H N 1.580 120.450 119.070 -0.333 0.000 2.790 1 H HA 0.069 4.625 4.556 0.000 0.000 0.358 1 H C -0.551 174.754 175.328 -0.037 0.000 1.103 1 H CA 0.539 56.434 56.048 -0.254 0.000 1.426 1 H CB 0.536 30.161 29.762 -0.228 0.000 1.424 1 H HN 0.771 nan 8.280 nan 0.000 0.599 2 H N 0.906 119.529 119.070 -0.745 0.000 2.974 2 H HA 0.565 5.121 4.556 0.000 0.000 0.366 2 H C -1.377 173.640 175.328 -0.517 0.000 1.155 2 H CA -0.764 55.016 56.048 -0.445 0.000 1.186 2 H CB 0.792 30.420 29.762 -0.223 0.000 1.799 2 H HN 0.702 nan 8.280 nan 0.000 0.541 3 A N 2.601 125.260 122.820 -0.269 0.000 2.440 3 A HA 0.414 4.734 4.320 0.000 0.000 0.251 3 A C -0.046 177.437 177.584 -0.168 0.000 1.089 3 A CA -0.503 51.399 52.037 -0.225 0.000 0.779 3 A CB 0.391 19.324 19.000 -0.111 0.000 1.022 3 A HN 0.571 nan 8.150 nan 0.000 0.492 4 V N 2.402 122.200 119.914 -0.194 0.000 2.546 4 V HA 0.484 4.604 4.120 0.000 0.000 0.284 4 V C 0.918 176.904 176.094 -0.181 0.000 1.050 4 V CA 0.125 62.342 62.300 -0.139 0.000 0.981 4 V CB 1.233 32.973 31.823 -0.139 0.000 0.990 4 V HN 1.194 nan 8.190 nan 0.000 0.474 5 A N 4.666 127.318 122.820 -0.281 0.000 2.440 5 A HA 0.281 4.601 4.320 0.000 0.000 0.251 5 A C 0.064 177.479 177.584 -0.283 0.000 1.089 5 A CA -0.195 51.574 52.037 -0.448 0.000 0.779 5 A CB 0.113 18.435 19.000 -1.130 0.000 1.022 5 A HN 0.827 nan 8.150 nan 0.000 0.492 6 D N 2.201 122.472 120.400 -0.215 0.000 2.317 6 D HA 0.186 4.826 4.640 0.000 0.000 0.234 6 D C 0.881 177.120 176.300 -0.102 0.000 1.112 6 D CA -0.215 53.706 54.000 -0.131 0.000 0.840 6 D CB 0.909 41.647 40.800 -0.103 0.000 1.078 6 D HN 0.543 nan 8.370 nan 0.000 0.486 7 K N 2.295 122.657 120.400 -0.063 0.000 2.113 7 K HA -0.195 4.125 4.320 0.000 0.000 0.208 7 K C 1.764 178.363 176.600 -0.002 0.000 1.047 7 K CA 1.505 57.783 56.287 -0.016 0.000 0.928 7 K CB 0.092 32.595 32.500 0.004 0.000 0.716 7 K HN 0.458 nan 8.250 nan 0.000 0.446 8 A N 1.638 124.449 122.820 -0.016 0.000 1.930 8 A HA -0.190 4.130 4.320 0.000 0.000 0.217 8 A C 1.612 179.212 177.584 0.026 0.000 1.175 8 A CA 1.778 53.812 52.037 -0.004 0.000 0.627 8 A CB -0.282 18.695 19.000 -0.039 0.000 0.815 8 A HN 0.166 nan 8.150 nan 0.000 0.443 9 D N 0.054 120.451 120.400 -0.004 0.000 2.123 9 D HA -0.105 4.535 4.640 0.000 0.000 0.200 9 D C 1.634 177.964 176.300 0.049 0.000 0.976 9 D CA 0.938 54.953 54.000 0.026 0.000 0.831 9 D CB -0.375 40.402 40.800 -0.037 0.000 0.974 9 D HN 0.317 nan 8.370 nan 0.000 0.469 10 N N 1.150 119.855 118.700 0.008 0.000 2.043 10 N HA -0.152 4.589 4.740 0.000 0.000 0.193 10 N C 1.797 177.341 175.510 0.057 0.000 1.037 10 N CA 1.478 54.547 53.050 0.031 0.000 0.851 10 N CB -0.512 38.008 38.487 0.056 0.000 1.027 10 N HN 0.124 nan 8.380 nan 0.000 0.422 11 A N 0.892 123.753 122.820 0.069 0.000 1.851 11 A HA -0.182 4.139 4.320 0.000 0.000 0.216 11 A C 2.204 179.849 177.584 0.102 0.000 1.195 11 A CA 1.410 53.493 52.037 0.077 0.000 0.622 11 A CB -1.219 17.827 19.000 0.076 0.000 0.831 11 A HN 0.286 nan 8.150 nan 0.000 0.444 12 F N 0.115 120.052 119.950 -0.022 0.000 2.065 12 F HA -0.240 4.288 4.527 0.000 0.000 0.298 12 F C 2.307 178.086 175.800 -0.035 0.000 1.112 12 F CA 2.230 60.219 58.000 -0.020 0.000 1.212 12 F CB -0.248 38.733 39.000 -0.032 0.000 0.975 12 F HN 0.112 nan 8.300 nan 0.000 0.476 13 M N -0.551 119.004 119.600 -0.075 0.000 2.213 13 M HA -0.220 4.260 4.480 0.000 0.000 0.263 13 M C 2.252 178.468 176.300 -0.141 0.000 1.062 13 M CA 1.548 56.704 55.300 -0.240 0.000 1.105 13 M CB -1.275 31.207 32.600 -0.196 0.000 1.385 13 M HN 0.308 nan 8.290 nan 0.000 0.417 14 M N -0.701 118.870 119.600 -0.048 0.000 2.200 14 M HA -0.128 4.352 4.480 0.000 0.000 0.265 14 M C 1.856 178.148 176.300 -0.014 0.000 1.066 14 M CA 0.907 56.207 55.300 0.001 0.000 1.127 14 M CB -0.151 32.464 32.600 0.024 0.000 1.379 14 M HN 0.104 nan 8.290 nan 0.000 0.420 15 I N -0.308 120.229 120.570 -0.056 0.000 2.252 15 I HA -0.246 3.924 4.170 0.000 0.000 0.245 15 I C 2.448 178.522 176.117 -0.071 0.000 1.102 15 I CA 1.218 62.483 61.300 -0.058 0.000 1.385 15 I CB -1.542 36.430 38.000 -0.047 0.000 1.064 15 I HN 0.376 nan 8.210 nan 0.000 0.414 16 C N 0.709 119.904 119.300 -0.175 0.000 2.425 16 C HA -0.139 4.321 4.460 0.000 0.000 0.277 16 C C 3.004 178.098 174.990 0.173 0.000 1.280 16 C CA 1.343 60.317 59.018 -0.073 0.000 1.744 16 C CB -1.141 26.438 27.740 -0.268 0.000 1.989 16 C HN 0.520 nan 8.230 nan 0.000 0.491 17 T N 1.181 115.857 114.554 0.205 0.000 2.746 17 T HA -0.125 4.225 4.350 0.000 0.000 0.267 17 T C 2.113 176.881 174.700 0.113 0.000 1.039 17 T CA 1.646 63.894 62.100 0.246 0.000 1.142 17 T CB -0.394 68.596 68.868 0.204 0.000 0.866 17 T HN 0.645 nan 8.240 nan 0.000 0.444 18 A N 1.011 123.872 122.820 0.068 0.000 1.933 18 A HA 0.041 4.361 4.320 0.000 0.000 0.218 18 A C 2.276 179.896 177.584 0.059 0.000 1.175 18 A CA 1.113 53.172 52.037 0.037 0.000 0.628 18 A CB -0.764 18.228 19.000 -0.013 0.000 0.814 18 A HN 0.474 nan 8.150 nan 0.000 0.444 19 L N -0.734 120.538 121.223 0.081 0.000 2.109 19 L HA -0.117 4.224 4.340 0.000 0.000 0.207 19 L C 2.440 179.394 176.870 0.140 0.000 1.086 19 L CA 0.763 55.694 54.840 0.152 0.000 0.760 19 L CB -0.319 41.827 42.059 0.146 0.000 0.910 19 L HN 0.244 nan 8.230 nan 0.000 0.437 20 V N -0.100 119.853 119.914 0.065 0.000 2.453 20 V HA -0.243 3.877 4.120 0.000 0.000 0.247 20 V C 2.326 178.394 176.094 -0.044 0.000 1.048 20 V CA 1.330 63.598 62.300 -0.054 0.000 1.049 20 V CB -0.272 31.436 31.823 -0.192 0.000 0.672 20 V HN 0.334 nan 8.190 nan 0.000 0.457 21 L N -1.259 119.989 121.223 0.041 0.000 2.046 21 L HA -0.170 4.170 4.340 0.000 0.000 0.208 21 L C 2.420 179.323 176.870 0.055 0.000 1.077 21 L CA 1.549 56.441 54.840 0.086 0.000 0.747 21 L CB -0.667 41.476 42.059 0.141 0.000 0.896 21 L HN 0.305 nan 8.230 nan 0.000 0.432 22 F N 0.763 120.657 119.950 -0.093 0.000 2.192 22 F HA -0.275 4.253 4.527 0.000 0.000 0.301 22 F C 2.406 178.120 175.800 -0.142 0.000 1.079 22 F CA 1.452 59.388 58.000 -0.107 0.000 1.303 22 F CB -0.387 38.574 39.000 -0.064 0.000 1.024 22 F HN 0.022 nan 8.300 nan 0.000 0.494 23 M N -1.168 118.343 119.600 -0.147 0.000 2.213 23 M HA -0.198 4.283 4.480 0.000 0.000 0.263 23 M C 1.803 177.922 176.300 -0.302 0.000 1.062 23 M CA 2.092 57.209 55.300 -0.305 0.000 1.105 23 M CB -0.519 31.866 32.600 -0.359 0.000 1.385 23 M HN 0.026 nan 8.290 nan 0.000 0.417 24 T N -0.090 114.322 114.554 -0.236 0.000 2.925 24 T HA 0.182 4.533 4.350 0.000 0.000 0.245 24 T C 0.789 175.316 174.700 -0.289 0.000 1.025 24 T CA 0.533 62.493 62.100 -0.233 0.000 1.149 24 T CB 0.387 69.175 68.868 -0.135 0.000 0.866 24 T HN 0.031 nan 8.240 nan 0.000 0.437 25 I N 3.536 123.901 120.570 -0.343 0.000 2.388 25 I HA 0.279 4.449 4.170 0.000 0.000 0.281 25 I C -2.093 173.954 176.117 -0.116 0.000 1.046 25 I CA -2.615 58.492 61.300 -0.321 0.000 1.187 25 I CB 1.104 38.764 38.000 -0.566 0.000 1.351 25 I HN 0.067 nan 8.210 nan 0.000 0.472 26 P HA 0.161 nan 4.420 nan 0.000 0.275 26 P C 1.257 178.432 177.300 -0.207 0.000 1.310 26 P CA 0.141 63.146 63.100 -0.158 0.000 0.904 26 P CB 1.006 32.654 31.700 -0.086 0.000 1.381 27 G N 2.389 110.998 108.800 -0.317 0.000 2.896 27 G HA2 -0.353 3.607 3.960 0.000 0.000 0.225 27 G HA3 -0.353 3.607 3.960 0.000 0.000 0.225 27 G C 1.307 176.065 174.900 -0.236 0.000 1.265 27 G CA 1.413 46.313 45.100 -0.332 0.000 0.778 27 G HN 0.278 nan 8.290 nan 0.000 0.714 28 I N 1.911 122.314 120.570 -0.278 0.000 2.335 28 I HA -0.083 4.087 4.170 0.000 0.000 0.251 28 I C 3.048 179.028 176.117 -0.228 0.000 1.129 28 I CA 1.586 62.682 61.300 -0.340 0.000 1.402 28 I CB -0.460 37.294 38.000 -0.411 0.000 1.069 28 I HN 0.295 nan 8.210 nan 0.000 0.424 29 A N -0.115 122.633 122.820 -0.121 0.000 1.902 29 A HA -0.139 4.182 4.320 0.000 0.000 0.217 29 A C 2.268 179.866 177.584 0.024 0.000 1.181 29 A CA 1.729 53.754 52.037 -0.021 0.000 0.623 29 A CB -0.836 18.138 19.000 -0.043 0.000 0.818 29 A HN 0.475 nan 8.150 nan 0.000 0.443 30 L N -2.371 118.850 121.223 -0.003 0.000 2.131 30 L HA -0.050 4.290 4.340 0.000 0.000 0.206 30 L C 2.417 179.331 176.870 0.073 0.000 1.087 30 L CA 1.015 55.875 54.840 0.033 0.000 0.767 30 L CB -0.534 41.526 42.059 0.003 0.000 0.917 30 L HN 0.450 nan 8.230 nan 0.000 0.441 31 F N 0.322 120.211 119.950 -0.103 0.000 2.043 31 F HA -0.320 4.207 4.527 0.000 0.000 0.297 31 F C 2.469 178.318 175.800 0.082 0.000 1.121 31 F CA 1.787 59.737 58.000 -0.084 0.000 1.199 31 F CB -0.401 38.466 39.000 -0.223 0.000 0.968 31 F HN -0.043 nan 8.300 nan 0.000 0.478 32 Y N 0.537 120.865 120.300 0.046 0.000 2.200 32 Y HA 0.032 4.582 4.550 0.000 0.000 0.290 32 Y C 2.763 178.646 175.900 -0.029 0.000 1.137 32 Y CA 0.671 58.750 58.100 -0.035 0.000 1.163 32 Y CB -1.592 36.903 38.460 0.058 0.000 0.988 32 Y HN 0.143 nan 8.280 nan 0.000 0.518 33 G N -0.421 108.493 108.800 0.190 0.000 2.440 33 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 33 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 33 G C 2.059 177.092 174.900 0.222 0.000 1.154 33 G CA 1.024 46.221 45.100 0.162 0.000 0.767 33 G HN 0.522 nan 8.290 nan 0.000 0.552 34 G N 0.418 109.289 108.800 0.118 0.000 2.448 34 G HA2 -0.028 3.932 3.960 0.000 0.000 0.218 34 G HA3 -0.028 3.932 3.960 0.000 0.000 0.218 34 G C 1.692 176.605 174.900 0.023 0.000 1.135 34 G CA 0.349 45.466 45.100 0.028 0.000 0.784 34 G HN 0.433 nan 8.290 nan 0.000 0.543 35 L N 0.636 121.853 121.223 -0.010 0.000 2.395 35 L HA 0.270 4.610 4.340 0.000 0.000 0.218 35 L C 1.446 178.352 176.870 0.060 0.000 1.130 35 L CA -0.022 54.800 54.840 -0.031 0.000 0.826 35 L CB -0.246 41.734 42.059 -0.130 0.000 0.941 35 L HN 0.345 nan 8.230 nan 0.000 0.451 36 I N -2.932 117.711 120.570 0.121 0.000 3.062 36 I HA 0.358 4.529 4.170 0.000 0.000 0.316 36 I C 0.211 176.426 176.117 0.164 0.000 1.041 36 I CA -1.090 60.279 61.300 0.114 0.000 1.069 36 I CB 0.870 38.901 38.000 0.052 0.000 1.300 36 I HN -0.135 nan 8.210 nan 0.000 0.518 37 R N 1.194 121.756 120.500 0.103 0.000 2.641 37 R HA 0.213 4.553 4.340 0.000 0.000 0.269 37 R C 1.377 177.585 176.300 -0.152 0.000 1.074 37 R CA 0.373 56.507 56.100 0.058 0.000 1.133 37 R CB 0.521 30.863 30.300 0.070 0.000 1.029 37 R HN 0.939 nan 8.270 nan 0.000 0.488 38 G N 2.136 110.803 108.800 -0.220 0.000 2.485 38 G HA2 -0.341 3.619 3.960 0.000 0.000 0.221 38 G HA3 -0.341 3.619 3.960 0.000 0.000 0.221 38 G C 1.026 175.806 174.900 -0.200 0.000 1.115 38 G CA 1.047 45.927 45.100 -0.368 0.000 0.751 38 G HN 0.691 nan 8.290 nan 0.000 0.567 39 K N -0.430 119.912 120.400 -0.097 0.000 2.525 39 K HA 0.134 4.455 4.320 0.000 0.000 0.192 39 K C 0.961 177.523 176.600 -0.065 0.000 1.029 39 K CA 0.790 57.039 56.287 -0.063 0.000 1.029 39 K CB 0.140 32.627 32.500 -0.022 0.000 0.814 39 K HN 0.149 nan 8.250 nan 0.000 0.503 40 N N 0.551 119.199 118.700 -0.085 0.000 2.143 40 N HA -0.033 4.707 4.740 0.000 0.000 0.222 40 N C 1.210 176.678 175.510 -0.071 0.000 1.264 40 N CA 0.068 53.088 53.050 -0.049 0.000 0.897 40 N CB 1.036 39.516 38.487 -0.011 0.000 1.092 40 N HN 0.018 nan 8.380 nan 0.000 0.516 41 V N 1.705 121.530 119.914 -0.149 0.000 2.332 41 V HA -0.178 3.942 4.120 0.000 0.000 0.248 41 V C 1.971 178.008 176.094 -0.095 0.000 1.055 41 V CA 1.617 63.846 62.300 -0.118 0.000 1.038 41 V CB -0.259 31.457 31.823 -0.178 0.000 0.651 41 V HN 0.207 nan 8.190 nan 0.000 0.450 42 L N 0.825 121.964 121.223 -0.140 0.000 2.083 42 L HA -0.143 4.198 4.340 0.000 0.000 0.209 42 L C 2.841 179.578 176.870 -0.222 0.000 1.083 42 L CA 1.934 56.667 54.840 -0.178 0.000 0.752 42 L CB -1.009 40.936 42.059 -0.191 0.000 0.899 42 L HN 0.633 nan 8.230 nan 0.000 0.433 43 S N -0.144 115.499 115.700 -0.096 0.000 2.383 43 S HA -0.285 4.185 4.470 0.000 0.000 0.229 43 S C 1.967 176.573 174.600 0.009 0.000 1.030 43 S CA 1.500 59.704 58.200 0.006 0.000 1.002 43 S CB -0.400 62.891 63.200 0.151 0.000 0.829 43 S HN 0.292 nan 8.310 nan 0.000 0.467 44 M N 2.207 121.813 119.600 0.011 0.000 2.064 44 M HA 0.169 4.649 4.480 0.000 0.000 0.260 44 M C 2.005 178.330 176.300 0.041 0.000 1.073 44 M CA 1.490 56.823 55.300 0.056 0.000 1.124 44 M CB -1.093 31.552 32.600 0.075 0.000 1.326 44 M HN 0.386 nan 8.290 nan 0.000 0.410 45 L N -1.030 120.184 121.223 -0.015 0.000 2.043 45 L HA -0.266 4.075 4.340 0.000 0.000 0.212 45 L C 2.181 179.017 176.870 -0.055 0.000 1.075 45 L CA 1.899 56.716 54.840 -0.037 0.000 0.752 45 L CB -1.660 40.358 42.059 -0.069 0.000 0.891 45 L HN 0.360 nan 8.230 nan 0.000 0.432 46 T N -1.258 113.209 114.554 -0.145 0.000 2.777 46 T HA -0.211 4.139 4.350 0.000 0.000 0.266 46 T C 1.931 176.694 174.700 0.106 0.000 1.040 46 T CA 1.165 63.163 62.100 -0.170 0.000 1.141 46 T CB -0.156 68.330 68.868 -0.637 0.000 0.868 46 T HN 0.342 nan 8.240 nan 0.000 0.444 47 Q N 0.173 120.092 119.800 0.198 0.000 2.084 47 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 47 Q C 2.540 178.670 176.000 0.217 0.000 0.978 47 Q CA 1.158 57.169 55.803 0.348 0.000 0.844 47 Q CB -0.292 28.615 28.738 0.282 0.000 0.898 47 Q HN 0.327 nan 8.270 nan 0.000 0.426 48 V N 0.164 120.165 119.914 0.145 0.000 2.358 48 V HA -0.248 3.873 4.120 0.000 0.000 0.246 48 V C 2.135 178.307 176.094 0.129 0.000 1.047 48 V CA 2.126 64.495 62.300 0.116 0.000 1.035 48 V CB -0.761 31.097 31.823 0.059 0.000 0.658 48 V HN 0.444 nan 8.190 nan 0.000 0.452 49 T N 0.030 114.641 114.554 0.095 0.000 2.746 49 T HA -0.159 4.191 4.350 0.000 0.000 0.267 49 T C 1.889 176.715 174.700 0.211 0.000 1.039 49 T CA 1.735 63.898 62.100 0.105 0.000 1.142 49 T CB -0.209 68.685 68.868 0.042 0.000 0.866 49 T HN 0.300 nan 8.240 nan 0.000 0.444 50 V N 2.067 122.113 119.914 0.220 0.000 2.488 50 V HA -0.123 3.997 4.120 0.000 0.000 0.246 50 V C 2.982 179.176 176.094 0.166 0.000 1.046 50 V CA 1.889 64.323 62.300 0.224 0.000 1.053 50 V CB -1.192 30.831 31.823 0.334 0.000 0.679 50 V HN 0.716 nan 8.190 nan 0.000 0.458 51 T N -1.196 113.454 114.554 0.160 0.000 2.777 51 T HA -0.247 4.103 4.350 0.000 0.000 0.266 51 T C 1.848 176.616 174.700 0.113 0.000 1.040 51 T CA 1.683 63.850 62.100 0.111 0.000 1.141 51 T CB -0.685 68.248 68.868 0.109 0.000 0.868 51 T HN 0.369 nan 8.240 nan 0.000 0.444 52 F N 3.068 123.025 119.950 0.013 0.000 2.065 52 F HA -0.018 4.509 4.527 0.000 0.000 0.298 52 F C 2.665 178.461 175.800 -0.005 0.000 1.112 52 F CA 1.417 59.408 58.000 -0.015 0.000 1.212 52 F CB -0.950 38.040 39.000 -0.017 0.000 0.975 52 F HN 0.268 nan 8.300 nan 0.000 0.476 53 A N 0.409 123.293 122.820 0.107 0.000 1.883 53 A HA -0.188 4.132 4.320 0.000 0.000 0.217 53 A C 2.127 179.675 177.584 -0.061 0.000 1.186 53 A CA 1.800 53.839 52.037 0.003 0.000 0.624 53 A CB -1.373 17.706 19.000 0.130 0.000 0.822 53 A HN 0.530 nan 8.150 nan 0.000 0.444 54 L N -0.059 121.160 121.223 -0.007 0.000 2.042 54 L HA -0.128 4.212 4.340 0.000 0.000 0.210 54 L C 2.425 179.269 176.870 -0.043 0.000 1.076 54 L CA 1.940 56.776 54.840 -0.006 0.000 0.749 54 L CB -0.528 41.542 42.059 0.019 0.000 0.893 54 L HN 0.168 nan 8.230 nan 0.000 0.432 55 V N -1.270 118.592 119.914 -0.087 0.000 2.295 55 V HA -0.357 3.763 4.120 0.000 0.000 0.246 55 V C 2.646 178.656 176.094 -0.139 0.000 1.049 55 V CA 1.869 64.100 62.300 -0.114 0.000 1.024 55 V CB -0.826 30.895 31.823 -0.170 0.000 0.648 55 V HN 0.635 nan 8.190 nan 0.000 0.447 56 C N -0.091 119.041 119.300 -0.279 0.000 2.398 56 C HA -0.191 4.270 4.460 0.000 0.000 0.276 56 C C 2.596 177.547 174.990 -0.066 0.000 1.222 56 C CA 0.720 59.594 59.018 -0.241 0.000 1.746 56 C CB -1.079 26.432 27.740 -0.382 0.000 2.039 56 C HN 0.477 nan 8.230 nan 0.000 0.470 57 I N 0.728 121.259 120.570 -0.064 0.000 2.202 57 I HA -0.137 4.034 4.170 0.000 0.000 0.242 57 I C 2.389 178.486 176.117 -0.034 0.000 1.091 57 I CA 1.682 62.967 61.300 -0.025 0.000 1.368 57 I CB -1.482 36.513 38.000 -0.008 0.000 1.058 57 I HN 0.353 nan 8.210 nan 0.000 0.410 58 L N -1.108 120.078 121.223 -0.062 0.000 2.131 58 L HA -0.231 4.109 4.340 0.000 0.000 0.210 58 L C 2.602 179.268 176.870 -0.340 0.000 1.092 58 L CA 1.199 55.900 54.840 -0.232 0.000 0.759 58 L CB -0.562 41.387 42.059 -0.183 0.000 0.903 58 L HN 0.434 nan 8.230 nan 0.000 0.435 59 W N 1.037 122.171 121.300 -0.278 0.000 2.354 59 W HA -0.218 4.442 4.660 0.000 0.000 0.315 59 W C 2.456 178.915 176.519 -0.100 0.000 1.206 59 W CA 2.496 59.737 57.345 -0.173 0.000 1.290 59 W CB -0.029 29.362 29.460 -0.115 0.000 1.152 59 W HN 0.176 nan 8.180 nan 0.000 0.489 60 V N -0.902 119.014 119.914 0.003 0.000 2.427 60 V HA -0.223 3.897 4.120 0.000 0.000 0.248 60 V C 1.921 177.971 176.094 -0.073 0.000 1.051 60 V CA 1.808 64.066 62.300 -0.071 0.000 1.048 60 V CB -1.294 30.502 31.823 -0.045 0.000 0.666 60 V HN 0.003 nan 8.190 nan 0.000 0.456 61 V N 1.162 121.038 119.914 -0.062 0.000 2.261 61 V HA -0.190 3.930 4.120 0.000 0.000 0.246 61 V C 2.320 178.472 176.094 0.097 0.000 1.047 61 V CA 3.018 65.335 62.300 0.029 0.000 1.015 61 V CB -0.762 31.121 31.823 0.100 0.000 0.642 61 V HN 0.948 nan 8.190 nan 0.000 0.446 62 Y N -2.575 117.712 120.300 -0.020 0.000 2.617 62 Y HA 0.551 5.101 4.550 0.000 0.000 0.280 62 Y C 1.771 177.603 175.900 -0.114 0.000 1.005 62 Y CA 0.355 58.433 58.100 -0.037 0.000 1.194 62 Y CB -0.578 37.873 38.460 -0.015 0.000 1.405 62 Y HN -0.017 nan 8.280 nan 0.000 0.580 63 G N 1.370 109.806 108.800 -0.606 0.000 2.480 63 G HA2 -0.361 3.599 3.960 0.000 0.000 0.216 63 G HA3 -0.361 3.599 3.960 0.000 0.000 0.216 63 G C 1.401 175.680 174.900 -1.035 0.000 1.200 63 G CA 1.584 46.300 45.100 -0.641 0.000 0.782 63 G HN 0.499 nan 8.290 nan 0.000 0.554 64 Y N 1.552 120.913 120.300 -1.565 0.000 2.114 64 Y HA -0.177 4.373 4.550 0.000 0.000 0.282 64 Y C 3.168 178.974 175.900 -0.156 0.000 1.165 64 Y CA 1.986 59.464 58.100 -1.037 0.000 1.148 64 Y CB -0.528 37.508 38.460 -0.708 0.000 0.972 64 Y HN 0.245 nan 8.280 nan 0.000 0.504 65 S N -0.410 115.258 115.700 -0.053 0.000 2.368 65 S HA -0.140 4.330 4.470 0.000 0.000 0.224 65 S C 1.953 176.536 174.600 -0.028 0.000 1.029 65 S CA 1.488 59.751 58.200 0.105 0.000 0.988 65 S CB -0.522 62.795 63.200 0.195 0.000 0.838 65 S HN 0.521 nan 8.310 nan 0.000 0.462 66 L N 0.468 121.673 121.223 -0.030 0.000 2.395 66 L HA 0.124 4.464 4.340 0.000 0.000 0.218 66 L C 2.509 179.340 176.870 -0.064 0.000 1.130 66 L CA 0.789 55.634 54.840 0.009 0.000 0.826 66 L CB -0.345 41.806 42.059 0.154 0.000 0.941 66 L HN 0.392 nan 8.230 nan 0.000 0.451 67 A N -0.655 122.082 122.820 -0.138 0.000 1.887 67 A HA 0.041 4.362 4.320 0.000 0.000 0.210 67 A C 1.522 178.930 177.584 -0.292 0.000 1.221 67 A CA 0.691 52.590 52.037 -0.230 0.000 0.635 67 A CB -0.329 18.542 19.000 -0.214 0.000 0.881 67 A HN 0.298 nan 8.150 nan 0.000 0.456 68 F N 0.512 120.405 119.950 -0.095 0.000 2.664 68 F HA 0.345 4.872 4.527 0.000 0.000 0.303 68 F C 1.424 177.265 175.800 0.069 0.000 1.092 68 F CA -0.139 57.845 58.000 -0.026 0.000 1.305 68 F CB 0.166 39.092 39.000 -0.124 0.000 1.054 68 F HN 0.238 nan 8.300 nan 0.000 0.565 69 G N 0.066 108.918 108.800 0.088 0.000 2.477 69 G HA2 0.233 4.193 3.960 0.000 0.000 0.304 69 G HA3 0.233 4.193 3.960 0.000 0.000 0.304 69 G C -0.793 174.074 174.900 -0.055 0.000 1.175 69 G CA -0.458 44.532 45.100 -0.183 0.000 0.907 69 G HN 0.124 nan 8.290 nan 0.000 0.509 70 E N -0.431 119.679 120.200 -0.150 0.000 2.338 70 E HA 0.482 4.832 4.350 0.000 0.000 0.272 70 E C 0.540 177.121 176.600 -0.033 0.000 1.029 70 E CA 0.355 56.737 56.400 -0.030 0.000 0.872 70 E CB 0.863 30.533 29.700 -0.051 0.000 1.015 70 E HN 0.583 nan 8.360 nan 0.000 0.417 71 G N 3.652 112.476 108.800 0.040 0.000 3.046 71 G HA2 0.047 4.008 3.960 0.000 0.000 0.137 71 G HA3 0.047 4.008 3.960 0.000 0.000 0.137 71 G C -0.700 174.225 174.900 0.040 0.000 1.207 71 G CA -0.110 44.987 45.100 -0.004 0.000 1.218 71 G HN 0.645 nan 8.290 nan 0.000 0.625 72 N N -0.455 118.271 118.700 0.043 0.000 2.752 72 N HA 0.270 5.010 4.740 0.000 0.000 0.316 72 N C 0.536 176.092 175.510 0.078 0.000 1.343 72 N CA -0.568 52.530 53.050 0.079 0.000 0.875 72 N CB 0.438 39.010 38.487 0.141 0.000 1.120 72 N HN 0.232 nan 8.380 nan 0.000 0.562 73 N N -1.236 117.430 118.700 -0.058 0.000 2.515 73 N HA 0.083 4.823 4.740 0.000 0.000 0.185 73 N C -0.068 175.044 175.510 -0.664 0.000 1.109 73 N CA 0.760 53.573 53.050 -0.394 0.000 0.903 73 N CB -0.078 38.022 38.487 -0.645 0.000 0.969 73 N HN 0.434 nan 8.380 nan 0.000 0.450 74 F N -1.455 118.484 119.950 -0.018 0.000 2.640 74 F HA 0.327 4.854 4.527 0.000 0.000 0.285 74 F C 0.395 175.807 175.800 -0.647 0.000 1.031 74 F CA -0.228 57.631 58.000 -0.236 0.000 1.240 74 F CB 0.252 39.223 39.000 -0.048 0.000 1.011 74 F HN -0.237 nan 8.300 nan 0.000 0.656 75 F N -0.348 119.383 119.950 -0.363 0.000 2.611 75 F HA 0.668 5.195 4.527 0.000 0.000 0.324 75 F C 0.945 176.198 175.800 -0.913 0.000 1.061 75 F CA -1.124 56.520 58.000 -0.594 0.000 0.954 75 F CB 0.934 39.800 39.000 -0.223 0.000 1.301 75 F HN -0.080 nan 8.300 nan 0.000 0.482 76 G N 0.419 108.968 108.800 -0.418 0.000 3.137 76 G HA2 0.421 4.381 3.960 0.000 0.000 0.163 76 G HA3 0.421 4.381 3.960 0.000 0.000 0.163 76 G C -1.045 173.781 174.900 -0.124 0.000 1.602 76 G CA -0.276 44.688 45.100 -0.227 0.000 1.067 76 G HN 0.745 nan 8.290 nan 0.000 0.568 77 N N -2.295 116.326 118.700 -0.132 0.000 2.774 77 N HA 0.399 5.140 4.740 0.000 0.000 0.264 77 N C -0.269 175.174 175.510 -0.113 0.000 1.415 77 N CA -0.676 52.292 53.050 -0.136 0.000 0.815 77 N CB 1.113 39.490 38.487 -0.182 0.000 1.514 77 N HN 0.380 nan 8.380 nan 0.000 0.523 78 I N -2.778 117.738 120.570 -0.090 0.000 3.904 78 I HA 0.403 4.574 4.170 0.000 0.000 0.333 78 I C 0.170 176.277 176.117 -0.017 0.000 1.361 78 I CA -0.466 60.817 61.300 -0.029 0.000 1.116 78 I CB -1.224 36.765 38.000 -0.017 0.000 1.028 78 I HN 0.512 nan 8.210 nan 0.000 0.398 79 N N 0.455 119.090 118.700 -0.108 0.000 2.573 79 N HA -0.102 4.639 4.740 0.000 0.000 0.187 79 N C 0.100 175.669 175.510 0.099 0.000 1.107 79 N CA 0.493 53.495 53.050 -0.079 0.000 0.918 79 N CB -0.045 38.331 38.487 -0.185 0.000 0.966 79 N HN 0.421 nan 8.380 nan 0.000 0.448 80 W N 1.365 122.702 121.300 0.062 0.000 2.764 80 W HA 0.332 4.992 4.660 0.000 0.000 0.427 80 W C -0.080 176.477 176.519 0.063 0.000 0.896 80 W CA -1.016 56.381 57.345 0.086 0.000 2.307 80 W CB -0.607 28.944 29.460 0.152 0.000 1.192 80 W HN -0.025 nan 8.180 nan 0.000 0.731 81 L N 2.585 123.945 121.223 0.229 0.000 2.534 81 L HA 0.024 4.365 4.340 0.000 0.000 0.271 81 L C 0.979 177.924 176.870 0.125 0.000 1.178 81 L CA 0.899 55.831 54.840 0.153 0.000 0.907 81 L CB 0.300 42.425 42.059 0.110 0.000 1.164 81 L HN 0.184 nan 8.230 nan 0.000 0.482 82 M N 5.753 125.406 119.600 0.088 0.000 2.393 82 M HA -0.269 4.212 4.480 0.000 0.000 0.201 82 M C 0.931 177.248 176.300 0.028 0.000 0.403 82 M CA 0.645 55.972 55.300 0.045 0.000 0.471 82 M CB -1.445 31.187 32.600 0.053 0.000 1.669 82 M HN 0.837 nan 8.290 nan 0.000 0.864 83 L N -2.130 119.106 121.223 0.022 0.000 4.625 83 L HA -0.272 4.069 4.340 0.000 0.000 0.428 83 L C 1.026 177.935 176.870 0.066 0.000 1.129 83 L CA 1.673 56.490 54.840 -0.038 0.000 0.978 83 L CB -1.750 40.165 42.059 -0.239 0.000 2.043 83 L HN 0.686 nan 8.230 nan 0.000 0.847 84 K N 0.356 120.836 120.400 0.133 0.000 2.319 84 K HA 0.225 4.545 4.320 0.000 0.000 0.265 84 K C 1.062 177.805 176.600 0.238 0.000 1.000 84 K CA 0.281 56.660 56.287 0.153 0.000 0.943 84 K CB 0.469 33.047 32.500 0.129 0.000 0.950 84 K HN 0.223 nan 8.250 nan 0.000 0.485 85 N N -0.440 118.378 118.700 0.197 0.000 2.980 85 N HA -0.184 4.556 4.740 0.000 0.000 0.219 85 N C -0.733 174.906 175.510 0.216 0.000 0.883 85 N CA 1.341 54.535 53.050 0.241 0.000 1.018 85 N CB -1.248 37.443 38.487 0.340 0.000 1.041 85 N HN 0.652 nan 8.380 nan 0.000 0.592 86 I N 2.665 123.300 120.570 0.107 0.000 2.297 86 I HA 0.089 4.259 4.170 0.000 0.000 0.291 86 I C 0.546 176.705 176.117 0.070 0.000 1.033 86 I CA -0.248 61.049 61.300 -0.006 0.000 1.253 86 I CB 0.792 38.684 38.000 -0.179 0.000 1.396 86 I HN -0.096 nan 8.210 nan 0.000 0.476 87 E N 5.507 125.727 120.200 0.033 0.000 2.338 87 E HA 0.010 4.360 4.350 0.000 0.000 0.272 87 E C 0.812 177.353 176.600 -0.098 0.000 1.029 87 E CA -0.473 55.915 56.400 -0.020 0.000 0.872 87 E CB 1.657 31.344 29.700 -0.022 0.000 1.015 87 E HN 0.482 nan 8.360 nan 0.000 0.417 88 L N 3.681 124.762 121.223 -0.237 0.000 2.189 88 L HA -0.186 4.154 4.340 0.000 0.000 0.214 88 L C 1.937 178.571 176.870 -0.393 0.000 1.097 88 L CA 2.206 56.748 54.840 -0.496 0.000 0.764 88 L CB -0.578 41.162 42.059 -0.532 0.000 0.900 88 L HN 0.681 nan 8.230 nan 0.000 0.436 89 T N -3.009 111.422 114.554 -0.206 0.000 3.163 89 T HA 0.468 4.819 4.350 0.000 0.000 0.252 89 T C 0.753 175.530 174.700 0.128 0.000 1.056 89 T CA 0.068 62.137 62.100 -0.052 0.000 0.947 89 T CB -0.533 68.305 68.868 -0.051 0.000 1.016 89 T HN 0.355 nan 8.240 nan 0.000 0.554 90 A N 1.324 124.191 122.820 0.078 0.000 2.450 90 A HA 0.568 4.889 4.320 0.000 0.000 0.255 90 A C 0.088 177.754 177.584 0.135 0.000 1.096 90 A CA -0.393 51.692 52.037 0.080 0.000 0.778 90 A CB 0.202 19.223 19.000 0.034 0.000 1.031 90 A HN 0.386 nan 8.150 nan 0.000 0.494 91 V N 3.944 123.896 119.914 0.063 0.000 2.398 91 V HA 0.428 4.548 4.120 0.000 0.000 0.286 91 V C -0.081 175.990 176.094 -0.038 0.000 1.026 91 V CA -0.300 61.992 62.300 -0.014 0.000 0.868 91 V CB 1.364 33.142 31.823 -0.075 0.000 0.982 91 V HN 0.951 nan 8.190 nan 0.000 0.443 92 M N 5.653 125.207 119.600 -0.078 0.000 2.036 92 M HA 0.682 5.162 4.480 0.000 0.000 0.337 92 M C 0.560 176.770 176.300 -0.149 0.000 1.012 92 M CA 0.991 56.212 55.300 -0.133 0.000 0.962 92 M CB 0.133 32.593 32.600 -0.234 0.000 1.423 92 M HN 0.988 nan 8.290 nan 0.000 0.405 93 G N 2.976 111.708 108.800 -0.112 0.000 3.031 93 G HA2 -0.311 3.650 3.960 0.000 0.000 0.289 93 G HA3 -0.311 3.650 3.960 0.000 0.000 0.289 93 G C 0.426 175.264 174.900 -0.104 0.000 1.393 93 G CA 0.657 45.696 45.100 -0.102 0.000 1.010 93 G HN 1.492 nan 8.290 nan 0.000 0.579 94 S N 0.278 115.907 115.700 -0.119 0.000 2.900 94 S HA 0.632 5.102 4.470 0.000 0.000 0.253 94 S C 0.489 174.983 174.600 -0.176 0.000 1.029 94 S CA 0.568 58.687 58.200 -0.134 0.000 1.096 94 S CB -0.282 62.855 63.200 -0.106 0.000 1.067 94 S HN 1.775 nan 8.310 nan 0.000 0.610 95 I N -2.407 118.057 120.570 -0.176 0.000 3.108 95 I HA 0.731 4.902 4.170 0.000 0.000 0.312 95 I C -1.091 174.916 176.117 -0.183 0.000 1.095 95 I CA -1.800 59.387 61.300 -0.188 0.000 1.000 95 I CB 0.873 38.821 38.000 -0.088 0.000 1.229 95 I HN -0.115 nan 8.210 nan 0.000 0.454 96 Y N 1.520 121.806 120.300 -0.023 0.000 2.425 96 Y HA 0.099 4.649 4.550 0.000 0.000 0.331 96 Y C 1.627 177.532 175.900 0.009 0.000 1.157 96 Y CA 0.278 58.368 58.100 -0.018 0.000 1.372 96 Y CB 0.786 39.229 38.460 -0.027 0.000 1.253 96 Y HN 0.666 nan 8.280 nan 0.000 0.536 97 Q N 1.695 121.597 119.800 0.170 0.000 2.181 97 Q HA -0.250 4.090 4.340 0.000 0.000 0.205 97 Q C 1.128 177.175 176.000 0.078 0.000 0.980 97 Q CA 1.706 57.557 55.803 0.079 0.000 0.862 97 Q CB -0.157 28.568 28.738 -0.023 0.000 0.905 97 Q HN 0.853 nan 8.270 nan 0.000 0.429 98 Y N 0.243 120.500 120.300 -0.072 0.000 2.224 98 Y HA -0.207 4.343 4.550 0.000 0.000 0.289 98 Y C 1.865 177.724 175.900 -0.069 0.000 1.146 98 Y CA 1.198 59.228 58.100 -0.117 0.000 1.182 98 Y CB -0.057 38.343 38.460 -0.099 0.000 0.983 98 Y HN 0.184 nan 8.280 nan 0.000 0.524 99 I N -1.385 119.277 120.570 0.153 0.000 2.315 99 I HA -0.327 3.844 4.170 0.000 0.000 0.248 99 I C 2.558 178.727 176.117 0.087 0.000 1.117 99 I CA 1.462 62.825 61.300 0.104 0.000 1.404 99 I CB -0.573 37.486 38.000 0.100 0.000 1.071 99 I HN 0.333 nan 8.210 nan 0.000 0.419 100 H N 1.071 120.119 119.070 -0.036 0.000 2.353 100 H HA -0.137 4.419 4.556 0.000 0.000 0.300 100 H C 2.353 177.646 175.328 -0.058 0.000 1.090 100 H CA 1.868 57.887 56.048 -0.049 0.000 1.327 100 H CB 0.274 29.989 29.762 -0.080 0.000 1.383 100 H HN 0.102 nan 8.280 nan 0.000 0.508 101 V N 1.308 121.022 119.914 -0.332 0.000 2.255 101 V HA -0.299 3.821 4.120 0.000 0.000 0.247 101 V C 3.026 179.077 176.094 -0.071 0.000 1.051 101 V CA 1.786 63.788 62.300 -0.497 0.000 1.018 101 V CB -1.161 30.194 31.823 -0.782 0.000 0.641 101 V HN 0.599 nan 8.190 nan 0.000 0.445 102 A N -0.788 121.992 122.820 -0.068 0.000 1.877 102 A HA -0.225 4.095 4.320 0.000 0.000 0.216 102 A C 2.114 179.704 177.584 0.010 0.000 1.186 102 A CA 1.980 54.010 52.037 -0.012 0.000 0.620 102 A CB -0.722 18.290 19.000 0.019 0.000 0.822 102 A HN 0.501 nan 8.150 nan 0.000 0.443 103 F N 0.641 120.531 119.950 -0.100 0.000 2.102 103 F HA -0.196 4.331 4.527 0.000 0.000 0.298 103 F C 2.490 178.244 175.800 -0.077 0.000 1.105 103 F CA 2.188 60.142 58.000 -0.077 0.000 1.239 103 F CB -0.184 38.749 39.000 -0.112 0.000 0.991 103 F HN 0.204 nan 8.300 nan 0.000 0.474 104 Q N 0.004 119.677 119.800 -0.211 0.000 2.230 104 Q HA -0.028 4.313 4.340 0.000 0.000 0.202 104 Q C 2.496 178.257 176.000 -0.398 0.000 0.963 104 Q CA 1.177 56.823 55.803 -0.262 0.000 0.866 104 Q CB -1.117 27.520 28.738 -0.168 0.000 0.931 104 Q HN 0.565 nan 8.270 nan 0.000 0.452 105 G N 0.936 109.400 108.800 -0.560 0.000 2.421 105 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 105 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 105 G C 1.644 176.125 174.900 -0.699 0.000 1.143 105 G CA 1.109 45.471 45.100 -1.230 0.000 0.784 105 G HN 0.498 nan 8.290 nan 0.000 0.541 106 S N 0.173 115.649 115.700 -0.374 0.000 2.428 106 S HA 0.028 4.498 4.470 0.000 0.000 0.230 106 S C 2.007 176.444 174.600 -0.271 0.000 1.014 106 S CA 0.572 58.621 58.200 -0.251 0.000 0.957 106 S CB -0.472 62.632 63.200 -0.161 0.000 0.784 106 S HN 0.155 nan 8.310 nan 0.000 0.499 107 F N 2.520 122.201 119.950 -0.448 0.000 2.186 107 F HA 0.195 4.723 4.527 0.001 0.000 0.299 107 F C 2.787 178.397 175.800 -0.317 0.000 1.090 107 F CA 0.498 58.334 58.000 -0.274 0.000 1.307 107 F CB -0.846 38.038 39.000 -0.195 0.000 1.019 107 F HN 0.321 nan 8.300 nan 0.000 0.489 108 A N -1.101 121.427 122.820 -0.488 0.000 1.930 108 A HA -0.159 4.162 4.320 0.000 0.000 0.217 108 A C 2.314 179.595 177.584 -0.506 0.000 1.175 108 A CA 1.608 53.082 52.037 -0.938 0.000 0.627 108 A CB -1.424 16.896 19.000 -1.134 0.000 0.815 108 A HN 0.447 nan 8.150 nan 0.000 0.443 109 C N -1.077 118.006 119.300 -0.361 0.000 2.442 109 C HA -0.117 4.343 4.460 0.000 0.000 0.279 109 C C 2.441 177.384 174.990 -0.077 0.000 1.237 109 C CA 1.119 60.043 59.018 -0.157 0.000 1.722 109 C CB -1.290 26.430 27.740 -0.032 0.000 2.056 109 C HN 0.665 nan 8.230 nan 0.000 0.469 110 I N 1.352 121.843 120.570 -0.131 0.000 2.264 110 I HA -0.173 3.997 4.170 0.000 0.000 0.248 110 I C 2.356 178.387 176.117 -0.143 0.000 1.111 110 I CA 1.850 63.046 61.300 -0.173 0.000 1.382 110 I CB -0.780 37.037 38.000 -0.306 0.000 1.060 110 I HN 0.332 nan 8.210 nan 0.000 0.418 111 T N -0.318 114.174 114.554 -0.103 0.000 2.708 111 T HA -0.133 4.217 4.350 0.000 0.000 0.266 111 T C 2.043 176.762 174.700 0.032 0.000 1.037 111 T CA 1.810 63.913 62.100 0.006 0.000 1.146 111 T CB -0.499 68.452 68.868 0.138 0.000 0.865 111 T HN 0.206 nan 8.240 nan 0.000 0.435 112 V N 1.447 121.373 119.914 0.021 0.000 2.358 112 V HA -0.073 4.048 4.120 0.000 0.000 0.246 112 V C 2.892 179.008 176.094 0.037 0.000 1.047 112 V CA 1.869 64.199 62.300 0.051 0.000 1.035 112 V CB -1.375 30.493 31.823 0.075 0.000 0.658 112 V HN 0.603 nan 8.190 nan 0.000 0.452 113 G N -0.118 108.698 108.800 0.027 0.000 2.442 113 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 113 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 113 G C 1.577 176.539 174.900 0.104 0.000 1.141 113 G CA 0.951 46.080 45.100 0.048 0.000 0.763 113 G HN 0.468 nan 8.290 nan 0.000 0.554 114 L N 0.081 121.321 121.223 0.027 0.000 2.046 114 L HA -0.048 4.292 4.340 0.000 0.000 0.208 114 L C 2.871 179.832 176.870 0.151 0.000 1.077 114 L CA 0.726 55.607 54.840 0.068 0.000 0.747 114 L CB -0.405 41.564 42.059 -0.150 0.000 0.896 114 L HN 0.231 nan 8.230 nan 0.000 0.432 115 I N -0.827 119.761 120.570 0.030 0.000 2.163 115 I HA -0.277 3.893 4.170 0.000 0.000 0.243 115 I C 2.473 178.568 176.117 -0.037 0.000 1.085 115 I CA 1.057 62.332 61.300 -0.041 0.000 1.347 115 I CB -0.497 37.417 38.000 -0.144 0.000 1.044 115 I HN 0.001 nan 8.210 nan 0.000 0.408 116 V N 1.543 121.473 119.914 0.027 0.000 2.636 116 V HA -0.274 3.846 4.120 0.000 0.000 0.258 116 V C 2.466 178.480 176.094 -0.132 0.000 1.092 116 V CA 2.116 64.422 62.300 0.009 0.000 1.110 116 V CB -1.363 30.522 31.823 0.105 0.000 0.685 116 V HN 0.641 nan 8.190 nan 0.000 0.481 117 G N -0.777 107.804 108.800 -0.366 0.000 2.448 117 G HA2 -0.078 3.882 3.960 0.000 0.000 0.218 117 G HA3 -0.078 3.882 3.960 0.000 0.000 0.218 117 G C 1.616 176.214 174.900 -0.503 0.000 1.135 117 G CA 0.732 45.234 45.100 -0.996 0.000 0.784 117 G HN 0.622 nan 8.290 nan 0.000 0.543 118 A N 0.151 122.788 122.820 -0.304 0.000 2.119 118 A HA 0.336 4.656 4.320 0.000 0.000 0.216 118 A C 2.092 179.527 177.584 -0.248 0.000 1.152 118 A CA 0.533 52.430 52.037 -0.232 0.000 0.708 118 A CB -0.133 18.770 19.000 -0.163 0.000 0.805 118 A HN 0.356 nan 8.150 nan 0.000 0.460 119 L N -0.946 120.142 121.223 -0.226 0.000 2.616 119 L HA 0.284 4.624 4.340 0.000 0.000 0.229 119 L C 1.298 178.071 176.870 -0.162 0.000 1.110 119 L CA -0.088 54.627 54.840 -0.207 0.000 0.884 119 L CB -0.436 41.520 42.059 -0.171 0.000 1.115 119 L HN 0.290 nan 8.230 nan 0.000 0.481 120 A N 1.109 123.830 122.820 -0.164 0.000 2.587 120 A HA -0.030 4.290 4.320 0.000 0.000 0.233 120 A C 1.073 178.598 177.584 -0.098 0.000 1.049 120 A CA 0.689 52.656 52.037 -0.117 0.000 0.754 120 A CB -0.083 18.834 19.000 -0.139 0.000 0.977 120 A HN 0.638 nan 8.150 nan 0.000 0.509 121 E N -0.514 119.659 120.200 -0.046 0.000 3.975 121 E HA -0.298 4.053 4.350 0.000 0.000 0.342 121 E C 1.055 177.639 176.600 -0.026 0.000 0.677 121 E CA 1.355 57.742 56.400 -0.023 0.000 1.238 121 E CB -0.873 28.820 29.700 -0.010 0.000 1.665 121 E HN 0.937 nan 8.360 nan 0.000 0.429 122 R N 0.158 120.628 120.500 -0.051 0.000 2.582 122 R HA 0.253 4.593 4.340 0.000 0.000 0.285 122 R C 0.752 177.026 176.300 -0.044 0.000 0.940 122 R CA -0.318 55.752 56.100 -0.049 0.000 1.072 122 R CB 0.360 30.614 30.300 -0.077 0.000 1.527 122 R HN 0.096 nan 8.270 nan 0.000 0.538 123 I N 4.195 124.740 120.570 -0.043 0.000 2.634 123 I HA 0.093 4.263 4.170 0.000 0.000 0.284 123 I C 0.243 176.375 176.117 0.025 0.000 1.124 123 I CA -0.358 60.927 61.300 -0.026 0.000 1.417 123 I CB 1.111 39.087 38.000 -0.041 0.000 1.396 123 I HN 0.201 nan 8.210 nan 0.000 0.571 124 R N 6.090 126.608 120.500 0.030 0.000 2.308 124 R HA 0.105 4.445 4.340 0.000 0.000 0.305 124 R C 0.652 177.024 176.300 0.119 0.000 1.053 124 R CA -0.241 55.897 56.100 0.063 0.000 0.957 124 R CB 0.542 30.865 30.300 0.037 0.000 1.022 124 R HN 0.606 nan 8.270 nan 0.000 0.461 125 F N 3.222 123.174 119.950 0.004 0.000 2.045 125 F HA -0.385 4.142 4.527 0.000 0.000 0.297 125 F C 2.308 178.144 175.800 0.060 0.000 1.114 125 F CA 2.740 60.769 58.000 0.050 0.000 1.207 125 F CB -0.132 38.896 39.000 0.046 0.000 0.964 125 F HN 0.812 nan 8.300 nan 0.000 0.486 126 S N 0.429 116.113 115.700 -0.028 0.000 2.419 126 S HA -0.195 4.275 4.470 0.000 0.000 0.235 126 S C 2.059 176.611 174.600 -0.081 0.000 1.019 126 S CA 0.856 58.985 58.200 -0.118 0.000 0.982 126 S CB -1.081 62.123 63.200 0.006 0.000 0.789 126 S HN 0.535 nan 8.310 nan 0.000 0.490 127 A N 1.422 124.230 122.820 -0.020 0.000 1.930 127 A HA 0.101 4.422 4.320 0.000 0.000 0.217 127 A C 2.398 180.005 177.584 0.038 0.000 1.175 127 A CA 1.486 53.537 52.037 0.022 0.000 0.627 127 A CB -1.044 17.980 19.000 0.040 0.000 0.815 127 A HN 0.465 nan 8.150 nan 0.000 0.443 128 V N 0.357 120.263 119.914 -0.012 0.000 2.343 128 V HA -0.266 3.855 4.120 0.000 0.000 0.247 128 V C 2.562 178.663 176.094 0.011 0.000 1.051 128 V CA 1.966 64.273 62.300 0.011 0.000 1.036 128 V CB -0.781 31.026 31.823 -0.027 0.000 0.654 128 V HN 0.576 nan 8.190 nan 0.000 0.451 129 L N -0.725 120.417 121.223 -0.135 0.000 2.017 129 L HA -0.171 4.169 4.340 0.000 0.000 0.208 129 L C 2.395 179.257 176.870 -0.012 0.000 1.073 129 L CA 1.699 56.472 54.840 -0.112 0.000 0.745 129 L CB -0.589 41.338 42.059 -0.219 0.000 0.894 129 L HN 0.254 nan 8.230 nan 0.000 0.432 130 I N -0.686 119.886 120.570 0.003 0.000 2.226 130 I HA -0.333 3.838 4.170 0.000 0.000 0.245 130 I C 2.539 178.687 176.117 0.053 0.000 1.100 130 I CA 1.471 62.788 61.300 0.029 0.000 1.374 130 I CB -0.296 37.723 38.000 0.032 0.000 1.057 130 I HN 0.159 nan 8.210 nan 0.000 0.413 131 F N 1.226 121.141 119.950 -0.058 0.000 2.134 131 F HA -0.178 4.349 4.527 0.000 0.000 0.299 131 F C 2.315 178.111 175.800 -0.008 0.000 1.097 131 F CA 1.490 59.428 58.000 -0.102 0.000 1.264 131 F CB -0.324 38.541 39.000 -0.226 0.000 1.001 131 F HN -0.247 nan 8.300 nan 0.000 0.479 132 V N -0.328 119.613 119.914 0.044 0.000 2.490 132 V HA -0.269 3.851 4.120 0.000 0.000 0.250 132 V C 2.341 178.445 176.094 0.016 0.000 1.061 132 V CA 1.541 63.866 62.300 0.041 0.000 1.064 132 V CB -0.596 31.294 31.823 0.112 0.000 0.670 132 V HN 0.295 nan 8.190 nan 0.000 0.461 133 V N -0.440 119.479 119.914 0.008 0.000 2.358 133 V HA -0.190 3.930 4.120 0.000 0.000 0.246 133 V C 2.361 178.467 176.094 0.021 0.000 1.047 133 V CA 1.811 64.136 62.300 0.042 0.000 1.035 133 V CB -0.296 31.553 31.823 0.044 0.000 0.658 133 V HN 0.403 nan 8.190 nan 0.000 0.452 134 V N -1.337 118.539 119.914 -0.063 0.000 2.244 134 V HA -0.261 3.859 4.120 0.000 0.000 0.244 134 V C 2.001 178.038 176.094 -0.096 0.000 1.042 134 V CA 2.345 64.596 62.300 -0.083 0.000 1.006 134 V CB -0.755 30.994 31.823 -0.123 0.000 0.641 134 V HN 0.738 nan 8.190 nan 0.000 0.446 135 W N 0.417 121.422 121.300 -0.492 0.000 2.358 135 W HA -0.194 4.467 4.660 0.001 0.000 0.303 135 W C 2.246 178.708 176.519 -0.095 0.000 1.208 135 W CA 1.941 59.033 57.345 -0.422 0.000 1.274 135 W CB -0.241 28.661 29.460 -0.931 0.000 1.138 135 W HN 0.226 nan 8.180 nan 0.000 0.515 136 L N 0.290 121.576 121.223 0.105 0.000 2.017 136 L HA -0.169 4.171 4.340 0.000 0.000 0.208 136 L C 2.270 179.181 176.870 0.070 0.000 1.073 136 L CA 2.795 57.688 54.840 0.089 0.000 0.745 136 L CB -1.246 40.906 42.059 0.156 0.000 0.894 136 L HN -0.116 nan 8.230 nan 0.000 0.432 137 T N -0.123 114.503 114.554 0.120 0.000 2.777 137 T HA -0.103 4.247 4.350 0.000 0.000 0.266 137 T C 1.739 176.546 174.700 0.178 0.000 1.040 137 T CA 1.937 64.168 62.100 0.218 0.000 1.141 137 T CB -0.221 68.781 68.868 0.223 0.000 0.868 137 T HN 0.310 nan 8.240 nan 0.000 0.444 138 L N -0.174 121.095 121.223 0.078 0.000 2.616 138 L HA 0.316 4.656 4.340 0.000 0.000 0.229 138 L C 2.257 179.200 176.870 0.122 0.000 1.110 138 L CA 0.189 55.126 54.840 0.162 0.000 0.884 138 L CB 0.154 42.288 42.059 0.124 0.000 1.115 138 L HN 0.193 nan 8.230 nan 0.000 0.481 139 S N -1.375 114.179 115.700 -0.245 0.000 2.979 139 S HA -0.006 4.464 4.470 0.000 0.000 0.243 139 S C 1.707 175.940 174.600 -0.611 0.000 1.036 139 S CA -0.107 57.818 58.200 -0.459 0.000 0.846 139 S CB -0.164 62.368 63.200 -1.114 0.000 0.806 139 S HN 0.314 nan 8.310 nan 0.000 0.568 140 Y N 2.585 122.391 120.300 -0.822 0.000 2.070 140 Y HA -0.082 4.469 4.550 0.000 0.000 0.280 140 Y C 1.989 177.718 175.900 -0.286 0.000 1.148 140 Y CA 2.150 59.953 58.100 -0.495 0.000 1.125 140 Y CB -0.417 37.867 38.460 -0.293 0.000 0.975 140 Y HN 0.289 nan 8.280 nan 0.000 0.492 141 I N 0.245 120.779 120.570 -0.060 0.000 2.118 141 I HA -0.313 3.857 4.170 0.000 0.000 0.241 141 I C -0.690 175.169 176.117 -0.429 0.000 1.070 141 I CA 1.801 63.045 61.300 -0.093 0.000 1.327 141 I CB -1.653 36.401 38.000 0.090 0.000 1.034 141 I HN 0.257 nan 8.210 nan 0.000 0.405 142 P HA -0.107 nan 4.420 nan 0.000 0.216 142 P C 1.889 178.679 177.300 -0.851 0.000 1.153 142 P CA 1.536 64.061 63.100 -0.958 0.000 0.844 142 P CB -0.040 30.953 31.700 -1.178 0.000 0.787 143 I N -0.332 119.706 120.570 -0.886 0.000 2.226 143 I HA -0.256 3.915 4.170 0.000 0.000 0.245 143 I C 2.395 178.064 176.117 -0.747 0.000 1.100 143 I CA 1.534 62.354 61.300 -0.800 0.000 1.374 143 I CB -0.874 36.715 38.000 -0.686 0.000 1.057 143 I HN -0.089 nan 8.210 nan 0.000 0.413 144 A N -0.020 122.315 122.820 -0.808 0.000 1.908 144 A HA -0.296 4.024 4.320 0.000 0.000 0.218 144 A C 2.362 179.566 177.584 -0.634 0.000 1.181 144 A CA 1.867 53.446 52.037 -0.765 0.000 0.627 144 A CB -1.039 17.561 19.000 -0.666 0.000 0.818 144 A HN 0.525 nan 8.150 nan 0.000 0.445 145 H N -0.771 117.907 119.070 -0.655 0.000 2.357 145 H HA 0.014 4.570 4.556 0.000 0.000 0.301 145 H C 2.009 177.054 175.328 -0.470 0.000 1.082 145 H CA 1.849 57.565 56.048 -0.554 0.000 1.342 145 H CB -0.184 29.286 29.762 -0.488 0.000 1.389 145 H HN 0.456 nan 8.280 nan 0.000 0.511 146 M N 0.002 119.337 119.600 -0.442 0.000 2.213 146 M HA -0.141 4.339 4.480 0.000 0.000 0.263 146 M C 2.272 178.318 176.300 -0.423 0.000 1.062 146 M CA 1.207 56.235 55.300 -0.454 0.000 1.105 146 M CB 0.236 32.533 32.600 -0.505 0.000 1.385 146 M HN 0.115 nan 8.290 nan 0.000 0.417 147 V N -2.805 116.820 119.914 -0.480 0.000 2.672 147 V HA -0.080 4.041 4.120 0.000 0.000 0.242 147 V C 1.190 177.136 176.094 -0.247 0.000 1.059 147 V CA 0.883 62.917 62.300 -0.442 0.000 1.081 147 V CB -0.153 31.273 31.823 -0.662 0.000 0.752 147 V HN 0.544 nan 8.190 nan 0.000 0.472 148 W N 0.269 121.418 121.300 -0.253 0.000 2.870 148 W HA 0.532 5.192 4.660 0.000 0.000 0.358 148 W C 1.637 178.041 176.519 -0.190 0.000 1.043 148 W CA 0.134 57.394 57.345 -0.141 0.000 1.692 148 W CB -0.117 29.345 29.460 0.003 0.000 1.100 148 W HN 0.299 nan 8.180 nan 0.000 0.557 149 G N -0.390 108.228 108.800 -0.304 0.000 3.502 149 G HA2 0.369 4.329 3.960 0.000 0.000 0.267 149 G HA3 0.369 4.329 3.960 0.000 0.000 0.267 149 G C 1.196 175.774 174.900 -0.537 0.000 1.090 149 G CA 0.216 45.030 45.100 -0.477 0.000 0.795 149 G HN 0.257 nan 8.290 nan 0.000 0.535 150 G N -0.723 107.880 108.800 -0.328 0.000 2.147 150 G HA2 -0.030 3.931 3.960 0.000 0.000 0.244 150 G HA3 -0.030 3.931 3.960 0.000 0.000 0.244 150 G C 0.853 175.570 174.900 -0.305 0.000 1.005 150 G CA 0.321 45.280 45.100 -0.235 0.000 0.713 150 G HN 0.959 nan 8.290 nan 0.000 0.515 151 G N -0.935 107.594 108.800 -0.452 0.000 2.546 151 G HA2 0.534 4.494 3.960 0.000 0.000 0.239 151 G HA3 0.534 4.494 3.960 0.000 0.000 0.239 151 G C 1.376 176.063 174.900 -0.355 0.000 1.476 151 G CA 0.211 45.096 45.100 -0.359 0.000 1.064 151 G HN 0.881 nan 8.290 nan 0.000 0.561 152 L N -0.379 120.550 121.223 -0.490 0.000 1.951 152 L HA -0.158 4.182 4.340 0.000 0.000 0.222 152 L C 2.865 179.417 176.870 -0.530 0.000 1.078 152 L CA 1.904 56.411 54.840 -0.554 0.000 0.778 152 L CB -0.656 41.011 42.059 -0.655 0.000 0.893 152 L HN 0.473 nan 8.230 nan 0.000 0.436 153 L N -1.009 119.973 121.223 -0.402 0.000 2.131 153 L HA -0.179 4.162 4.340 0.000 0.000 0.210 153 L C 2.597 179.390 176.870 -0.128 0.000 1.092 153 L CA 1.030 55.718 54.840 -0.254 0.000 0.759 153 L CB -0.976 40.965 42.059 -0.197 0.000 0.903 153 L HN 0.439 nan 8.230 nan 0.000 0.435 154 A N 0.233 122.967 122.820 -0.144 0.000 1.930 154 A HA -0.161 4.159 4.320 0.000 0.000 0.217 154 A C 2.416 180.000 177.584 0.000 0.000 1.175 154 A CA 1.617 53.627 52.037 -0.045 0.000 0.627 154 A CB -0.548 18.414 19.000 -0.063 0.000 0.815 154 A HN 0.484 nan 8.150 nan 0.000 0.443 155 S N -1.666 114.011 115.700 -0.038 0.000 2.660 155 S HA -0.018 4.452 4.470 0.000 0.000 0.223 155 S C 1.012 175.745 174.600 0.221 0.000 0.963 155 S CA 0.802 59.029 58.200 0.046 0.000 0.932 155 S CB -0.468 62.731 63.200 -0.000 0.000 0.775 155 S HN 0.595 nan 8.310 nan 0.000 0.531 156 H N 0.526 119.589 119.070 -0.011 0.000 2.755 156 H HA 0.424 4.980 4.556 0.000 0.000 0.273 156 H C 1.534 176.880 175.328 0.029 0.000 1.055 156 H CA -0.596 55.456 56.048 0.006 0.000 1.191 156 H CB 0.435 30.185 29.762 -0.020 0.000 1.536 156 H HN 0.486 nan 8.280 nan 0.000 0.529 157 G N 0.747 109.637 108.800 0.152 0.000 2.160 157 G HA2 -0.205 3.756 3.960 0.000 0.000 0.244 157 G HA3 -0.205 3.756 3.960 0.000 0.000 0.244 157 G C 0.483 175.443 174.900 0.101 0.000 1.022 157 G CA 0.243 45.414 45.100 0.118 0.000 0.741 157 G HN 0.677 nan 8.290 nan 0.000 0.508 158 A N -0.373 122.504 122.820 0.095 0.000 2.498 158 A HA 0.623 4.943 4.320 0.000 0.000 0.239 158 A C 0.603 178.256 177.584 0.115 0.000 1.068 158 A CA 0.292 52.379 52.037 0.084 0.000 0.766 158 A CB 0.335 19.367 19.000 0.053 0.000 1.003 158 A HN 0.994 nan 8.150 nan 0.000 0.497 159 L N 2.592 123.879 121.223 0.107 0.000 2.294 159 L HA 0.442 4.782 4.340 0.000 0.000 0.283 159 L C -0.535 176.531 176.870 0.326 0.000 1.015 159 L CA -0.291 54.620 54.840 0.120 0.000 0.831 159 L CB 1.323 43.259 42.059 -0.205 0.000 1.217 159 L HN 0.716 nan 8.230 nan 0.000 0.420 160 D N 2.380 123.102 120.400 0.535 0.000 2.584 160 D HA 0.064 4.704 4.640 0.000 0.000 0.238 160 D C 0.278 177.012 176.300 0.723 0.000 1.302 160 D CA -0.402 53.932 54.000 0.558 0.000 0.884 160 D CB 0.673 41.683 40.800 0.350 0.000 1.456 160 D HN 0.290 nan 8.370 nan 0.000 0.528 161 F N 2.691 122.968 119.950 0.547 0.000 2.046 161 F HA -0.057 4.471 4.527 0.000 0.000 0.297 161 F C 1.877 177.845 175.800 0.279 0.000 1.123 161 F CA 2.270 60.431 58.000 0.269 0.000 1.199 161 F CB 0.410 39.396 39.000 -0.022 0.000 0.972 161 F HN 0.413 nan 8.300 nan 0.000 0.474 162 A N -1.507 121.666 122.820 0.590 0.000 2.469 162 A HA 0.547 4.868 4.320 0.000 0.000 0.245 162 A C 0.948 179.021 177.584 0.816 0.000 1.221 162 A CA 0.473 52.816 52.037 0.510 0.000 0.946 162 A CB -0.258 19.105 19.000 0.606 0.000 1.049 162 A HN 0.893 nan 8.150 nan 0.000 0.529 163 G N -1.189 108.147 108.800 0.893 0.000 2.338 163 G HA2 0.070 4.031 3.960 0.000 0.000 0.115 163 G HA3 0.070 4.031 3.960 0.000 0.000 0.115 163 G C 0.895 176.118 174.900 0.538 0.000 1.053 163 G CA 0.171 45.681 45.100 0.682 0.000 0.733 163 G HN 1.001 nan 8.290 nan 0.000 0.482 164 G N 0.114 109.228 108.800 0.522 0.000 2.402 164 G HA2 0.098 4.058 3.960 0.000 0.000 0.216 164 G HA3 0.098 4.058 3.960 0.000 0.000 0.216 164 G C 1.811 176.919 174.900 0.346 0.000 1.162 164 G CA 2.590 47.987 45.100 0.495 0.000 0.777 164 G HN 1.405 nan 8.290 nan 0.000 0.539 165 T N -1.623 113.050 114.554 0.198 0.000 2.904 165 T HA 0.032 4.382 4.350 0.000 0.000 0.243 165 T C 2.293 177.000 174.700 0.012 0.000 1.024 165 T CA 1.066 63.224 62.100 0.096 0.000 1.158 165 T CB -0.562 68.306 68.868 -0.001 0.000 0.867 165 T HN -0.052 nan 8.240 nan 0.000 0.429 166 V N 1.637 121.443 119.914 -0.181 0.000 2.317 166 V HA -0.148 3.973 4.120 0.000 0.000 0.251 166 V C 2.729 178.810 176.094 -0.022 0.000 1.065 166 V CA 1.879 63.970 62.300 -0.348 0.000 1.049 166 V CB -0.669 30.605 31.823 -0.915 0.000 0.651 166 V HN 0.453 nan 8.190 nan 0.000 0.450 167 V N -1.810 118.170 119.914 0.110 0.000 2.602 167 V HA 0.004 4.124 4.120 0.000 0.000 0.235 167 V C 2.243 178.383 176.094 0.076 0.000 1.087 167 V CA 0.947 63.330 62.300 0.138 0.000 1.117 167 V CB -0.675 31.194 31.823 0.076 0.000 0.820 167 V HN 0.475 nan 8.190 nan 0.000 0.490 168 H N 0.330 119.597 119.070 0.329 0.000 2.256 168 H HA -0.026 4.531 4.556 0.000 0.000 0.299 168 H C 2.356 177.866 175.328 0.303 0.000 1.071 168 H CA 2.153 58.398 56.048 0.327 0.000 1.280 168 H CB -0.349 29.636 29.762 0.372 0.000 1.370 168 H HN 0.291 nan 8.280 nan 0.000 0.490 169 I N 1.055 121.858 120.570 0.388 0.000 2.226 169 I HA -0.269 3.901 4.170 0.000 0.000 0.245 169 I C 2.521 178.852 176.117 0.357 0.000 1.100 169 I CA 1.101 62.604 61.300 0.338 0.000 1.374 169 I CB -0.322 37.844 38.000 0.276 0.000 1.057 169 I HN 0.172 nan 8.210 nan 0.000 0.413 170 N N 1.313 120.217 118.700 0.341 0.000 2.036 170 N HA -0.196 4.544 4.740 0.000 0.000 0.195 170 N C 1.803 177.645 175.510 0.554 0.000 1.037 170 N CA 2.148 55.468 53.050 0.450 0.000 0.855 170 N CB -0.194 38.531 38.487 0.398 0.000 1.033 170 N HN 0.373 nan 8.380 nan 0.000 0.423 171 A N 0.232 123.294 122.820 0.403 0.000 1.897 171 A HA 0.169 4.490 4.320 0.000 0.000 0.215 171 A C 2.369 180.064 177.584 0.184 0.000 1.181 171 A CA 1.843 53.994 52.037 0.189 0.000 0.620 171 A CB -1.157 17.912 19.000 0.114 0.000 0.821 171 A HN 0.405 nan 8.150 nan 0.000 0.443 172 A N 0.025 123.026 122.820 0.301 0.000 1.917 172 A HA -0.143 4.177 4.320 0.000 0.000 0.219 172 A C 2.041 179.878 177.584 0.422 0.000 1.182 172 A CA 1.803 54.081 52.037 0.401 0.000 0.633 172 A CB -0.508 18.784 19.000 0.486 0.000 0.819 172 A HN 0.409 nan 8.150 nan 0.000 0.448 173 I N -0.365 120.443 120.570 0.396 0.000 2.286 173 I HA -0.188 3.982 4.170 0.000 0.000 0.245 173 I C 2.944 179.205 176.117 0.239 0.000 1.104 173 I CA 1.339 62.820 61.300 0.301 0.000 1.397 173 I CB -1.476 36.727 38.000 0.337 0.000 1.072 173 I HN 0.375 nan 8.210 nan 0.000 0.417 174 A N 0.785 123.745 122.820 0.234 0.000 1.940 174 A HA -0.131 4.189 4.320 0.000 0.000 0.219 174 A C 2.458 180.096 177.584 0.090 0.000 1.176 174 A CA 1.901 54.016 52.037 0.131 0.000 0.631 174 A CB -1.232 17.544 19.000 -0.374 0.000 0.814 174 A HN 0.437 nan 8.150 nan 0.000 0.446 175 G N -0.514 108.307 108.800 0.034 0.000 2.414 175 G HA2 -0.143 3.818 3.960 0.000 0.000 0.215 175 G HA3 -0.143 3.818 3.960 0.000 0.000 0.215 175 G C 1.558 176.412 174.900 -0.077 0.000 1.188 175 G CA 0.794 45.877 45.100 -0.028 0.000 0.783 175 G HN 0.385 nan 8.290 nan 0.000 0.537 176 L N 0.491 121.690 121.223 -0.041 0.000 2.013 176 L HA -0.149 4.191 4.340 0.000 0.000 0.212 176 L C 3.041 179.865 176.870 -0.078 0.000 1.073 176 L CA 1.446 56.185 54.840 -0.167 0.000 0.753 176 L CB -0.358 41.511 42.059 -0.317 0.000 0.890 176 L HN 0.145 nan 8.230 nan 0.000 0.432 177 V N -0.133 119.816 119.914 0.058 0.000 2.295 177 V HA -0.239 3.881 4.120 0.000 0.000 0.246 177 V C 2.645 178.651 176.094 -0.147 0.000 1.049 177 V CA 1.886 64.266 62.300 0.133 0.000 1.024 177 V CB -1.287 30.721 31.823 0.309 0.000 0.648 177 V HN 0.645 nan 8.190 nan 0.000 0.447 178 G N -0.262 108.285 108.800 -0.422 0.000 2.480 178 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 178 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 178 G C 1.811 176.337 174.900 -0.623 0.000 1.200 178 G CA 1.268 45.699 45.100 -1.115 0.000 0.782 178 G HN 0.624 nan 8.290 nan 0.000 0.554 179 A N -0.085 122.484 122.820 -0.418 0.000 1.917 179 A HA -0.090 4.231 4.320 0.000 0.000 0.219 179 A C 2.263 179.649 177.584 -0.330 0.000 1.182 179 A CA 1.758 53.563 52.037 -0.385 0.000 0.633 179 A CB -0.751 18.005 19.000 -0.408 0.000 0.819 179 A HN 0.517 nan 8.150 nan 0.000 0.448 180 Y N -0.352 119.802 120.300 -0.244 0.000 2.242 180 Y HA -0.096 4.455 4.550 0.000 0.000 0.291 180 Y C 2.230 178.026 175.900 -0.174 0.000 1.137 180 Y CA 1.088 59.079 58.100 -0.182 0.000 1.181 180 Y CB -0.105 38.279 38.460 -0.126 0.000 0.989 180 Y HN 0.191 nan 8.280 nan 0.000 0.527 181 L N -0.063 121.123 121.223 -0.061 0.000 2.156 181 L HA -0.148 4.192 4.340 0.000 0.000 0.208 181 L C 2.085 178.861 176.870 -0.157 0.000 1.095 181 L CA 1.013 55.785 54.840 -0.115 0.000 0.770 181 L CB -0.429 41.515 42.059 -0.192 0.000 0.914 181 L HN 0.365 nan 8.230 nan 0.000 0.439 182 I N -2.827 117.608 120.570 -0.226 0.000 3.030 182 I HA 0.333 4.503 4.170 0.000 0.000 0.270 182 I C 1.095 177.122 176.117 -0.150 0.000 1.211 182 I CA 0.447 61.633 61.300 -0.190 0.000 1.479 182 I CB -0.606 37.260 38.000 -0.224 0.000 1.105 182 I HN 0.186 nan 8.210 nan 0.000 0.447 183 G N 1.980 110.688 108.800 -0.155 0.000 2.756 183 G HA2 -0.193 3.768 3.960 0.000 0.000 0.678 183 G HA3 -0.193 3.768 3.960 0.000 0.000 0.678 183 G C -0.687 174.080 174.900 -0.221 0.000 1.349 183 G CA -0.584 44.431 45.100 -0.142 0.000 0.847 183 G HN 0.424 nan 8.290 nan 0.000 0.548 184 K N 0.322 120.581 120.400 -0.236 0.000 2.319 184 K HA 0.345 4.665 4.320 0.000 0.000 0.265 184 K C 1.248 177.700 176.600 -0.247 0.000 1.000 184 K CA -0.167 55.895 56.287 -0.375 0.000 0.943 184 K CB 0.519 32.819 32.500 -0.332 0.000 0.950 184 K HN 0.552 nan 8.250 nan 0.000 0.485 185 R N 0.637 120.947 120.500 -0.317 0.000 2.694 185 R HA 0.052 4.392 4.340 0.000 0.000 0.268 185 R C -0.269 176.048 176.300 0.029 0.000 1.061 185 R CA -0.403 55.604 56.100 -0.155 0.000 1.133 185 R CB 0.460 30.600 30.300 -0.266 0.000 1.020 185 R HN 0.279 nan 8.270 nan 0.000 0.475 186 V N 2.413 122.379 119.914 0.087 0.000 2.599 186 V HA 0.096 4.217 4.120 0.000 0.000 0.300 186 V C 1.328 177.587 176.094 0.275 0.000 1.034 186 V CA 1.823 64.205 62.300 0.137 0.000 1.115 186 V CB 0.832 32.712 31.823 0.095 0.000 0.934 186 V HN 1.110 nan 8.190 nan 0.000 0.485 187 G N 4.880 113.832 108.800 0.253 0.000 2.159 187 G HA2 -0.297 3.663 3.960 0.000 0.000 0.256 187 G HA3 -0.297 3.663 3.960 0.000 0.000 0.256 187 G C 0.087 175.279 174.900 0.487 0.000 0.977 187 G CA 0.117 45.394 45.100 0.295 0.000 0.652 187 G HN 0.820 nan 8.290 nan 0.000 0.531 188 F N 1.688 121.797 119.950 0.264 0.000 2.538 188 F HA 0.421 4.948 4.527 0.000 0.000 0.382 188 F C 1.484 177.375 175.800 0.151 0.000 1.069 188 F CA 1.317 59.404 58.000 0.145 0.000 1.138 188 F CB 0.288 39.209 39.000 -0.131 0.000 1.068 188 F HN 1.006 nan 8.300 nan 0.000 0.556 189 G N 4.673 113.312 108.800 -0.268 0.000 2.218 189 G HA2 -0.312 3.649 3.960 0.000 0.000 0.216 189 G HA3 -0.312 3.649 3.960 0.000 0.000 0.216 189 G C 0.895 175.743 174.900 -0.088 0.000 0.994 189 G CA 0.303 45.236 45.100 -0.280 0.000 0.637 189 G HN 0.807 nan 8.290 nan 0.000 0.505 190 K N -0.040 120.358 120.400 -0.004 0.000 2.481 190 K HA 0.595 4.915 4.320 0.000 0.000 0.210 190 K C 0.399 176.965 176.600 -0.058 0.000 1.161 190 K CA 0.337 56.612 56.287 -0.020 0.000 1.023 190 K CB 0.773 33.274 32.500 0.001 0.000 0.971 190 K HN 0.229 nan 8.250 nan 0.000 0.577 191 E N 0.745 120.888 120.200 -0.096 0.000 2.320 191 E HA 0.609 4.959 4.350 0.000 0.000 0.264 191 E C -1.584 174.707 176.600 -0.515 0.000 0.923 191 E CA -0.949 55.263 56.400 -0.313 0.000 0.796 191 E CB 2.069 31.517 29.700 -0.420 0.000 1.262 191 E HN 0.313 nan 8.360 nan 0.000 0.428 192 A N 2.014 124.522 122.820 -0.521 0.000 2.320 192 A HA 0.475 4.795 4.320 0.000 0.000 0.287 192 A C -0.882 176.344 177.584 -0.597 0.000 1.181 192 A CA -0.189 51.612 52.037 -0.394 0.000 0.831 192 A CB -0.216 18.664 19.000 -0.200 0.000 1.102 192 A HN 0.559 nan 8.150 nan 0.000 0.513 193 F N 2.087 122.041 119.950 0.006 0.000 2.831 193 F HA 0.235 4.762 4.527 0.000 0.000 0.355 193 F C 0.645 176.461 175.800 0.027 0.000 1.341 193 F CA -0.364 57.654 58.000 0.030 0.000 1.201 193 F CB 0.543 39.580 39.000 0.063 0.000 1.058 193 F HN 0.477 nan 8.300 nan 0.000 0.514 194 K N 1.460 121.921 120.400 0.102 0.000 2.355 194 K HA 0.194 4.514 4.320 0.000 0.000 0.270 194 K C -2.395 174.259 176.600 0.090 0.000 1.003 194 K CA -1.632 54.700 56.287 0.074 0.000 0.957 194 K CB 0.056 32.572 32.500 0.026 0.000 0.939 194 K HN -0.051 nan 8.250 nan 0.000 0.482 195 P HA -0.093 nan 4.420 nan 0.000 0.262 195 P C 0.206 177.538 177.300 0.053 0.000 1.199 195 P CA 0.312 63.442 63.100 0.050 0.000 0.763 195 P CB 0.273 31.963 31.700 -0.017 0.000 0.790 196 H N 2.723 121.807 119.070 0.023 0.000 2.457 196 H HA -0.028 4.529 4.556 0.000 0.000 0.294 196 H C -0.183 175.151 175.328 0.009 0.000 1.064 196 H CA 1.042 57.106 56.048 0.027 0.000 1.330 196 H CB 0.301 30.104 29.762 0.068 0.000 1.395 196 H HN 0.249 nan 8.280 nan 0.000 0.541 197 N N 0.420 118.727 118.700 -0.655 0.000 2.653 197 N HA 0.112 4.853 4.740 0.000 0.000 0.261 197 N C 0.474 175.831 175.510 -0.254 0.000 1.216 197 N CA -0.273 52.474 53.050 -0.505 0.000 0.784 197 N CB 0.801 38.855 38.487 -0.723 0.000 1.327 197 N HN 0.181 nan 8.380 nan 0.000 0.539 198 L N 2.565 123.697 121.223 -0.152 0.000 2.093 198 L HA 0.048 4.388 4.340 0.000 0.000 0.208 198 L C -0.721 176.131 176.870 -0.030 0.000 1.085 198 L CA 1.090 55.878 54.840 -0.086 0.000 0.755 198 L CB -0.789 41.225 42.059 -0.076 0.000 0.904 198 L HN 0.381 nan 8.230 nan 0.000 0.435 199 P HA -0.237 nan 4.420 nan 0.000 0.218 199 P C 1.764 179.124 177.300 0.100 0.000 1.148 199 P CA 1.558 64.678 63.100 0.034 0.000 0.822 199 P CB -0.021 31.670 31.700 -0.015 0.000 0.784 200 M N -0.838 118.771 119.600 0.015 0.000 2.132 200 M HA -0.134 4.347 4.480 0.000 0.000 0.263 200 M C 1.650 177.974 176.300 0.040 0.000 1.065 200 M CA 1.816 57.130 55.300 0.023 0.000 1.122 200 M CB -0.511 32.079 32.600 -0.017 0.000 1.365 200 M HN -0.238 nan 8.290 nan 0.000 0.411 201 V N 0.683 120.606 119.914 0.015 0.000 2.287 201 V HA -0.298 3.823 4.120 0.000 0.000 0.248 201 V C 2.208 178.380 176.094 0.130 0.000 1.053 201 V CA 2.289 64.594 62.300 0.008 0.000 1.027 201 V CB -1.098 30.674 31.823 -0.085 0.000 0.646 201 V HN 0.632 nan 8.190 nan 0.000 0.447 202 F N 1.426 121.373 119.950 -0.005 0.000 2.126 202 F HA -0.220 4.308 4.527 0.000 0.000 0.299 202 F C 2.418 178.225 175.800 0.011 0.000 1.096 202 F CA 2.326 60.325 58.000 -0.001 0.000 1.255 202 F CB -0.708 38.270 39.000 -0.037 0.000 0.997 202 F HN 0.119 nan 8.300 nan 0.000 0.479 203 T N 0.096 114.630 114.554 -0.033 0.000 2.684 203 T HA -0.144 4.206 4.350 0.000 0.000 0.267 203 T C 2.157 176.745 174.700 -0.186 0.000 1.036 203 T CA 1.558 63.578 62.100 -0.133 0.000 1.148 203 T CB -1.271 67.609 68.868 0.020 0.000 0.863 203 T HN 0.487 nan 8.240 nan 0.000 0.436 204 G N 1.120 109.876 108.800 -0.073 0.000 2.418 204 G HA2 -0.221 3.739 3.960 0.000 0.000 0.217 204 G HA3 -0.221 3.739 3.960 0.000 0.000 0.217 204 G C 1.719 176.547 174.900 -0.120 0.000 1.158 204 G CA 1.481 46.548 45.100 -0.055 0.000 0.771 204 G HN 0.479 nan 8.290 nan 0.000 0.545 205 T N 1.653 116.160 114.554 -0.078 0.000 2.788 205 T HA 0.034 4.385 4.350 0.000 0.000 0.268 205 T C 2.791 177.336 174.700 -0.258 0.000 1.044 205 T CA 1.445 63.428 62.100 -0.196 0.000 1.139 205 T CB -0.321 68.473 68.868 -0.123 0.000 0.867 205 T HN 0.375 nan 8.240 nan 0.000 0.454 206 A N 1.090 123.680 122.820 -0.383 0.000 1.898 206 A HA 0.026 4.346 4.320 0.000 0.000 0.216 206 A C 2.271 179.776 177.584 -0.131 0.000 1.181 206 A CA 1.108 52.973 52.037 -0.286 0.000 0.620 206 A CB -0.747 17.961 19.000 -0.486 0.000 0.819 206 A HN 0.496 nan 8.150 nan 0.000 0.442 207 I N -0.455 119.959 120.570 -0.260 0.000 2.315 207 I HA -0.232 3.938 4.170 0.000 0.000 0.248 207 I C 2.303 178.198 176.117 -0.370 0.000 1.117 207 I CA 0.880 61.912 61.300 -0.446 0.000 1.404 207 I CB -0.192 37.354 38.000 -0.757 0.000 1.071 207 I HN 0.280 nan 8.210 nan 0.000 0.419 208 L N -0.861 120.208 121.223 -0.256 0.000 2.056 208 L HA -0.241 4.099 4.340 0.000 0.000 0.207 208 L C 2.610 179.510 176.870 0.049 0.000 1.078 208 L CA 1.335 56.082 54.840 -0.155 0.000 0.749 208 L CB -0.751 41.214 42.059 -0.157 0.000 0.901 208 L HN 0.242 nan 8.230 nan 0.000 0.433 209 Y N 0.660 120.901 120.300 -0.099 0.000 2.097 209 Y HA -0.282 4.268 4.550 0.000 0.000 0.282 209 Y C 2.434 178.338 175.900 0.007 0.000 1.152 209 Y CA 1.546 59.584 58.100 -0.104 0.000 1.136 209 Y CB -0.139 38.239 38.460 -0.136 0.000 0.975 209 Y HN -0.026 nan 8.280 nan 0.000 0.498 210 I N 0.373 120.913 120.570 -0.051 0.000 2.315 210 I HA -0.186 3.984 4.170 0.000 0.000 0.248 210 I C 2.628 178.861 176.117 0.193 0.000 1.117 210 I CA 1.551 62.909 61.300 0.097 0.000 1.404 210 I CB -2.032 36.083 38.000 0.191 0.000 1.071 210 I HN 0.433 nan 8.210 nan 0.000 0.419 211 G N -0.612 108.244 108.800 0.094 0.000 2.421 211 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 211 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 211 G C 1.547 176.477 174.900 0.050 0.000 1.143 211 G CA -0.101 45.058 45.100 0.099 0.000 0.784 211 G HN 0.351 nan 8.290 nan 0.000 0.541 212 W N 0.746 121.898 121.300 -0.246 0.000 2.387 212 W HA -0.015 4.645 4.660 0.000 0.000 0.272 212 W C 1.700 178.074 176.519 -0.241 0.000 1.224 212 W CA 0.482 57.645 57.345 -0.303 0.000 1.210 212 W CB -0.330 28.836 29.460 -0.489 0.000 1.125 212 W HN 0.263 nan 8.180 nan 0.000 0.572 213 F N -0.071 119.914 119.950 0.059 0.000 2.234 213 F HA -0.040 4.488 4.527 0.000 0.000 0.299 213 F C 2.620 178.489 175.800 0.115 0.000 1.087 213 F CA 1.641 59.597 58.000 -0.074 0.000 1.340 213 F CB -1.246 37.528 39.000 -0.377 0.000 1.031 213 F HN -0.192 nan 8.300 nan 0.000 0.500 214 G N -1.142 107.827 108.800 0.282 0.000 2.430 214 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 214 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 214 G C 1.606 176.717 174.900 0.353 0.000 1.146 214 G CA 0.238 45.473 45.100 0.226 0.000 0.793 214 G HN 0.326 nan 8.290 nan 0.000 0.537 215 F N 1.754 121.758 119.950 0.091 0.000 2.084 215 F HA -0.039 4.488 4.527 0.001 0.000 0.296 215 F C 2.498 178.506 175.800 0.348 0.000 1.111 215 F CA 1.728 59.732 58.000 0.006 0.000 1.224 215 F CB 0.071 38.784 39.000 -0.479 0.000 0.991 215 F HN 0.037 nan 8.300 nan 0.000 0.471 216 N N 0.494 119.561 118.700 0.612 0.000 2.132 216 N HA -0.042 4.698 4.740 0.000 0.000 0.187 216 N C 1.927 177.756 175.510 0.530 0.000 1.038 216 N CA 1.608 55.012 53.050 0.590 0.000 0.846 216 N CB -1.115 37.685 38.487 0.522 0.000 1.012 216 N HN 0.331 nan 8.380 nan 0.000 0.429 217 A N 0.517 123.623 122.820 0.476 0.000 1.933 217 A HA -0.005 4.315 4.320 0.000 0.000 0.218 217 A C 2.283 180.167 177.584 0.499 0.000 1.175 217 A CA 1.944 54.297 52.037 0.528 0.000 0.628 217 A CB -1.277 18.131 19.000 0.679 0.000 0.814 217 A HN 0.373 nan 8.150 nan 0.000 0.444 218 G N -0.776 108.236 108.800 0.353 0.000 2.462 218 G HA2 -0.143 3.818 3.960 0.000 0.000 0.220 218 G HA3 -0.143 3.818 3.960 0.000 0.000 0.220 218 G C 1.615 176.511 174.900 -0.006 0.000 1.121 218 G CA 1.183 46.323 45.100 0.066 0.000 0.758 218 G HN 0.485 nan 8.290 nan 0.000 0.559 219 S N 0.661 116.487 115.700 0.210 0.000 2.537 219 S HA 0.088 4.558 4.470 0.000 0.000 0.240 219 S C 2.486 176.907 174.600 -0.299 0.000 0.981 219 S CA 0.758 58.878 58.200 -0.133 0.000 0.948 219 S CB -0.092 62.930 63.200 -0.297 0.000 0.759 219 S HN 0.595 nan 8.310 nan 0.000 0.531 220 A N 0.608 123.496 122.820 0.114 0.000 2.067 220 A HA 0.421 4.741 4.320 0.000 0.000 0.217 220 A C 1.951 179.538 177.584 0.005 0.000 1.156 220 A CA 1.023 53.175 52.037 0.192 0.000 0.683 220 A CB -0.828 18.357 19.000 0.309 0.000 0.808 220 A HN 0.830 nan 8.150 nan 0.000 0.455 221 G N -1.929 106.830 108.800 -0.069 0.000 2.184 221 G HA2 -0.195 3.765 3.960 0.000 0.000 0.264 221 G HA3 -0.195 3.765 3.960 0.000 0.000 0.264 221 G C 0.467 175.342 174.900 -0.041 0.000 0.975 221 G CA 1.366 46.384 45.100 -0.136 0.000 0.642 221 G HN 1.681 nan 8.290 nan 0.000 0.536 222 T N -2.100 112.476 114.554 0.038 0.000 2.840 222 T HA 0.686 5.036 4.350 0.000 0.000 0.317 222 T C -0.096 174.521 174.700 -0.139 0.000 1.401 222 T CA 0.586 62.682 62.100 -0.007 0.000 1.028 222 T CB 1.185 70.021 68.868 -0.055 0.000 1.317 222 T HN 1.678 nan 8.240 nan 0.000 0.495 223 A N 3.566 126.171 122.820 -0.358 0.000 3.118 223 A HA 0.417 4.737 4.320 0.000 0.000 0.256 223 A C 0.637 178.001 177.584 -0.366 0.000 1.667 223 A CA -0.370 51.227 52.037 -0.733 0.000 1.338 223 A CB -1.586 16.950 19.000 -0.774 0.000 1.127 223 A HN 0.831 nan 8.150 nan 0.000 0.634 224 N N -0.845 117.716 118.700 -0.232 0.000 2.938 224 N HA 0.239 4.980 4.740 0.000 0.000 0.335 224 N C 0.958 176.407 175.510 -0.102 0.000 1.358 224 N CA -0.168 52.801 53.050 -0.134 0.000 0.812 224 N CB 0.325 38.766 38.487 -0.076 0.000 1.233 224 N HN 0.151 nan 8.380 nan 0.000 0.593 225 E N 0.486 120.649 120.200 -0.062 0.000 2.208 225 E HA -0.130 4.221 4.350 0.000 0.000 0.193 225 E C 1.700 178.285 176.600 -0.025 0.000 0.988 225 E CA 0.967 57.340 56.400 -0.044 0.000 0.828 225 E CB -0.194 29.485 29.700 -0.034 0.000 0.763 225 E HN 0.649 nan 8.360 nan 0.000 0.478 226 I N 1.619 122.183 120.570 -0.011 0.000 2.439 226 I HA -0.119 4.051 4.170 0.000 0.000 0.251 226 I C 2.644 178.779 176.117 0.031 0.000 1.139 226 I CA 1.065 62.359 61.300 -0.009 0.000 1.438 226 I CB -1.206 36.821 38.000 0.044 0.000 1.085 226 I HN 0.115 nan 8.210 nan 0.000 0.427 227 A N 1.315 124.175 122.820 0.067 0.000 1.898 227 A HA -0.052 4.268 4.320 0.000 0.000 0.216 227 A C 2.616 180.301 177.584 0.168 0.000 1.181 227 A CA 1.788 53.916 52.037 0.152 0.000 0.620 227 A CB -0.679 18.337 19.000 0.026 0.000 0.819 227 A HN 0.397 nan 8.150 nan 0.000 0.442 228 A N -0.554 122.295 122.820 0.049 0.000 1.933 228 A HA -0.022 4.299 4.320 0.000 0.000 0.218 228 A C 2.140 179.789 177.584 0.108 0.000 1.175 228 A CA 1.730 53.791 52.037 0.040 0.000 0.628 228 A CB -0.588 18.386 19.000 -0.045 0.000 0.814 228 A HN 0.638 nan 8.150 nan 0.000 0.444 229 L N -0.243 121.015 121.223 0.058 0.000 2.005 229 L HA -0.028 4.313 4.340 0.000 0.000 0.207 229 L C 2.722 179.632 176.870 0.066 0.000 1.072 229 L CA 2.272 57.133 54.840 0.035 0.000 0.744 229 L CB -0.870 41.168 42.059 -0.035 0.000 0.895 229 L HN 0.329 nan 8.230 nan 0.000 0.433 230 A N -0.995 121.852 122.820 0.044 0.000 1.908 230 A HA -0.287 4.033 4.320 0.000 0.000 0.218 230 A C 2.281 180.004 177.584 0.232 0.000 1.181 230 A CA 2.046 54.126 52.037 0.071 0.000 0.627 230 A CB -1.249 17.808 19.000 0.095 0.000 0.818 230 A HN 0.536 nan 8.150 nan 0.000 0.445 231 F N 0.517 120.581 119.950 0.190 0.000 2.069 231 F HA -0.179 4.348 4.527 0.000 0.000 0.298 231 F C 2.408 178.361 175.800 0.255 0.000 1.113 231 F CA 2.072 60.249 58.000 0.294 0.000 1.214 231 F CB -0.452 38.682 39.000 0.223 0.000 0.978 231 F HN 0.035 nan 8.300 nan 0.000 0.474 232 V N 0.686 120.873 119.914 0.455 0.000 2.343 232 V HA -0.335 3.786 4.120 0.000 0.000 0.247 232 V C 2.127 178.336 176.094 0.192 0.000 1.051 232 V CA 2.144 64.624 62.300 0.301 0.000 1.036 232 V CB -0.822 31.109 31.823 0.180 0.000 0.654 232 V HN 0.359 nan 8.190 nan 0.000 0.451 233 N N -0.117 118.661 118.700 0.131 0.000 2.289 233 N HA -0.124 4.616 4.740 0.000 0.000 0.184 233 N C 1.864 177.401 175.510 0.045 0.000 1.016 233 N CA 1.731 54.819 53.050 0.062 0.000 0.872 233 N CB -0.474 38.029 38.487 0.026 0.000 0.973 233 N HN 0.471 nan 8.380 nan 0.000 0.433 234 T N 0.676 115.267 114.554 0.063 0.000 2.701 234 T HA -0.029 4.321 4.350 0.000 0.000 0.263 234 T C 2.179 176.898 174.700 0.030 0.000 1.040 234 T CA 0.853 62.921 62.100 -0.052 0.000 1.147 234 T CB -0.301 68.444 68.868 -0.204 0.000 0.865 234 T HN -0.050 nan 8.240 nan 0.000 0.426 235 V N 1.423 121.474 119.914 0.229 0.000 2.255 235 V HA -0.173 3.948 4.120 0.000 0.000 0.247 235 V C 2.686 178.875 176.094 0.159 0.000 1.051 235 V CA 1.507 63.994 62.300 0.312 0.000 1.018 235 V CB -0.855 31.172 31.823 0.340 0.000 0.641 235 V HN 0.301 nan 8.190 nan 0.000 0.445 236 V N 0.288 120.268 119.914 0.110 0.000 2.255 236 V HA -0.278 3.842 4.120 0.000 0.000 0.247 236 V C 2.719 178.818 176.094 0.008 0.000 1.051 236 V CA 2.199 64.532 62.300 0.055 0.000 1.018 236 V CB -1.229 30.619 31.823 0.042 0.000 0.641 236 V HN 0.568 nan 8.190 nan 0.000 0.445 237 A N -0.386 122.421 122.820 -0.022 0.000 1.902 237 A HA -0.219 4.102 4.320 0.000 0.000 0.217 237 A C 2.391 179.923 177.584 -0.086 0.000 1.181 237 A CA 2.471 54.470 52.037 -0.063 0.000 0.623 237 A CB -0.984 17.963 19.000 -0.088 0.000 0.818 237 A HN 0.517 nan 8.150 nan 0.000 0.443 238 T N 0.349 114.842 114.554 -0.102 0.000 2.708 238 T HA -0.040 4.311 4.350 0.000 0.000 0.266 238 T C 2.232 176.860 174.700 -0.120 0.000 1.037 238 T CA 1.663 63.669 62.100 -0.156 0.000 1.146 238 T CB -0.462 68.320 68.868 -0.142 0.000 0.865 238 T HN 0.598 nan 8.240 nan 0.000 0.435 239 A N 1.436 124.222 122.820 -0.056 0.000 1.902 239 A HA 0.178 4.498 4.320 0.000 0.000 0.217 239 A C 2.653 180.238 177.584 0.002 0.000 1.181 239 A CA 1.816 53.836 52.037 -0.028 0.000 0.623 239 A CB -1.121 17.890 19.000 0.017 0.000 0.818 239 A HN 0.504 nan 8.150 nan 0.000 0.443 240 A N -0.152 122.670 122.820 0.004 0.000 1.902 240 A HA 0.160 4.480 4.320 0.000 0.000 0.217 240 A C 2.501 180.109 177.584 0.041 0.000 1.181 240 A CA 2.117 54.169 52.037 0.026 0.000 0.623 240 A CB -0.987 18.013 19.000 0.001 0.000 0.818 240 A HN 1.029 nan 8.150 nan 0.000 0.443 241 A N -0.094 122.729 122.820 0.005 0.000 1.873 241 A HA -0.059 4.262 4.320 0.000 0.000 0.215 241 A C 2.118 179.746 177.584 0.073 0.000 1.186 241 A CA 1.459 53.515 52.037 0.031 0.000 0.616 241 A CB -0.617 18.361 19.000 -0.035 0.000 0.823 241 A HN 0.479 nan 8.150 nan 0.000 0.442 242 I N -0.178 120.391 120.570 -0.001 0.000 2.127 242 I HA -0.305 3.865 4.170 0.000 0.000 0.241 242 I C 2.389 178.544 176.117 0.065 0.000 1.075 242 I CA 1.442 62.732 61.300 -0.017 0.000 1.334 242 I CB -0.344 37.605 38.000 -0.084 0.000 1.040 242 I HN 0.298 nan 8.210 nan 0.000 0.405 243 L N 0.120 121.404 121.223 0.102 0.000 2.131 243 L HA -0.134 4.206 4.340 0.000 0.000 0.210 243 L C 2.644 179.714 176.870 0.334 0.000 1.092 243 L CA 1.395 56.363 54.840 0.213 0.000 0.759 243 L CB -1.182 41.059 42.059 0.303 0.000 0.903 243 L HN 0.352 nan 8.230 nan 0.000 0.435 244 G N -0.596 108.357 108.800 0.254 0.000 2.433 244 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 244 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 244 G C 1.366 176.425 174.900 0.265 0.000 1.186 244 G CA 0.310 45.555 45.100 0.242 0.000 0.779 244 G HN 0.413 nan 8.290 nan 0.000 0.543 245 W N 0.979 122.315 121.300 0.060 0.000 2.358 245 W HA -0.042 4.618 4.660 0.000 0.000 0.303 245 W C 2.175 178.710 176.519 0.026 0.000 1.208 245 W CA 0.700 58.069 57.345 0.040 0.000 1.274 245 W CB -0.338 29.123 29.460 0.002 0.000 1.138 245 W HN 0.092 nan 8.180 nan 0.000 0.515 246 I N 0.256 121.003 120.570 0.296 0.000 2.179 246 I HA -0.284 3.887 4.170 0.000 0.000 0.242 246 I C 2.288 178.434 176.117 0.048 0.000 1.088 246 I CA 1.524 62.853 61.300 0.049 0.000 1.357 246 I CB -1.617 36.260 38.000 -0.206 0.000 1.051 246 I HN -0.171 nan 8.210 nan 0.000 0.409 247 F N 0.694 120.802 119.950 0.264 0.000 2.325 247 F HA 0.001 4.528 4.527 0.000 0.000 0.299 247 F C 2.513 178.437 175.800 0.207 0.000 1.090 247 F CA 0.996 59.172 58.000 0.294 0.000 1.392 247 F CB -1.192 37.928 39.000 0.199 0.000 1.053 247 F HN 0.056 nan 8.300 nan 0.000 0.521 248 G N -0.369 108.591 108.800 0.268 0.000 2.414 248 G HA2 -0.195 3.766 3.960 0.000 0.000 0.215 248 G HA3 -0.195 3.766 3.960 0.000 0.000 0.215 248 G C 1.612 176.572 174.900 0.100 0.000 1.188 248 G CA 0.601 45.770 45.100 0.115 0.000 0.783 248 G HN 0.309 nan 8.290 nan 0.000 0.537 249 E N -0.774 119.486 120.200 0.100 0.000 2.077 249 E HA -0.138 4.212 4.350 0.000 0.000 0.193 249 E C 2.153 178.866 176.600 0.190 0.000 0.989 249 E CA 0.588 57.052 56.400 0.108 0.000 0.800 249 E CB -0.182 29.605 29.700 0.145 0.000 0.746 249 E HN 0.516 nan 8.360 nan 0.000 0.452 250 W N 1.071 122.401 121.300 0.049 0.000 2.338 250 W HA -0.105 4.555 4.660 0.000 0.000 0.304 250 W C 2.278 178.835 176.519 0.064 0.000 1.212 250 W CA 1.665 59.042 57.345 0.053 0.000 1.264 250 W CB -0.533 28.972 29.460 0.076 0.000 1.142 250 W HN 0.029 nan 8.180 nan 0.000 0.512 251 A N -1.035 121.969 122.820 0.307 0.000 2.016 251 A HA -0.057 4.263 4.320 0.000 0.000 0.217 251 A C 1.942 179.596 177.584 0.117 0.000 1.162 251 A CA 1.193 53.325 52.037 0.159 0.000 0.662 251 A CB -0.575 18.498 19.000 0.121 0.000 0.812 251 A HN 0.196 nan 8.150 nan 0.000 0.450 252 L N -0.458 120.834 121.223 0.116 0.000 2.130 252 L HA 0.067 4.407 4.340 0.000 0.000 0.200 252 L C 2.444 179.362 176.870 0.080 0.000 1.075 252 L CA 1.779 56.664 54.840 0.077 0.000 0.768 252 L CB -0.261 41.827 42.059 0.048 0.000 0.933 252 L HN 0.502 nan 8.230 nan 0.000 0.451 253 R N -1.476 119.082 120.500 0.097 0.000 2.397 253 R HA 0.430 4.770 4.340 0.000 0.000 0.241 253 R C 1.125 177.493 176.300 0.113 0.000 0.914 253 R CA 0.687 56.838 56.100 0.085 0.000 1.071 253 R CB 0.256 30.593 30.300 0.061 0.000 1.116 253 R HN 0.241 nan 8.270 nan 0.000 0.524 254 G N 1.384 110.299 108.800 0.191 0.000 2.176 254 G HA2 -0.298 3.663 3.960 0.000 0.000 0.253 254 G HA3 -0.298 3.663 3.960 0.000 0.000 0.253 254 G C -0.156 174.925 174.900 0.301 0.000 0.979 254 G CA 0.326 45.590 45.100 0.273 0.000 0.641 254 G HN 0.342 nan 8.290 nan 0.000 0.530 255 K N 0.549 121.001 120.400 0.086 0.000 2.501 255 K HA 0.513 4.833 4.320 0.000 0.000 0.252 255 K C -2.986 173.371 176.600 -0.406 0.000 0.934 255 K CA -1.946 54.211 56.287 -0.218 0.000 0.797 255 K CB 3.298 35.727 32.500 -0.118 0.000 1.270 255 K HN -0.020 nan 8.250 nan 0.000 0.431 256 P HA 0.079 nan 4.420 nan 0.000 0.287 256 P C -0.884 176.209 177.300 -0.344 0.000 1.281 256 P CA -0.388 62.356 63.100 -0.593 0.000 0.781 256 P CB 1.241 32.371 31.700 -0.949 0.000 0.903 257 S N 2.663 118.251 115.700 -0.187 0.000 2.664 257 S HA 0.341 4.812 4.470 0.000 0.000 0.304 257 S C 0.942 175.462 174.600 -0.134 0.000 1.099 257 S CA -0.727 57.392 58.200 -0.135 0.000 1.003 257 S CB 1.161 64.324 63.200 -0.062 0.000 1.092 257 S HN 0.279 nan 8.310 nan 0.000 0.525 258 L N 1.437 122.584 121.223 -0.126 0.000 2.005 258 L HA 0.099 4.439 4.340 0.000 0.000 0.207 258 L C 2.165 178.974 176.870 -0.101 0.000 1.072 258 L CA 1.626 56.394 54.840 -0.120 0.000 0.744 258 L CB -0.896 41.089 42.059 -0.123 0.000 0.895 258 L HN 0.799 nan 8.230 nan 0.000 0.433 259 L N 0.216 121.388 121.223 -0.085 0.000 2.127 259 L HA -0.064 4.276 4.340 0.000 0.000 0.211 259 L C 2.212 178.964 176.870 -0.197 0.000 1.089 259 L CA 2.055 56.838 54.840 -0.094 0.000 0.757 259 L CB -1.476 40.551 42.059 -0.054 0.000 0.899 259 L HN 0.350 nan 8.230 nan 0.000 0.434 260 G N -1.182 107.521 108.800 -0.162 0.000 2.402 260 G HA2 -0.196 3.765 3.960 0.000 0.000 0.216 260 G HA3 -0.196 3.765 3.960 0.000 0.000 0.216 260 G C 1.588 176.137 174.900 -0.585 0.000 1.162 260 G CA 0.710 45.641 45.100 -0.282 0.000 0.777 260 G HN 0.624 nan 8.290 nan 0.000 0.539 261 A N -0.053 122.590 122.820 -0.294 0.000 1.930 261 A HA -0.035 4.285 4.320 0.000 0.000 0.217 261 A C 2.565 179.980 177.584 -0.281 0.000 1.175 261 A CA 1.752 53.642 52.037 -0.245 0.000 0.627 261 A CB -0.884 18.026 19.000 -0.150 0.000 0.815 261 A HN 0.426 nan 8.150 nan 0.000 0.443 262 C N -0.865 118.295 119.300 -0.233 0.000 2.446 262 C HA -0.031 4.429 4.460 0.000 0.000 0.277 262 C C 3.224 178.034 174.990 -0.300 0.000 1.275 262 C CA 1.175 60.095 59.018 -0.164 0.000 1.727 262 C CB -1.217 26.531 27.740 0.013 0.000 2.010 262 C HN 0.596 nan 8.230 nan 0.000 0.486 263 S N 0.818 116.197 115.700 -0.535 0.000 2.382 263 S HA -0.065 4.406 4.470 0.000 0.000 0.228 263 S C 2.097 176.150 174.600 -0.912 0.000 1.027 263 S CA 1.526 59.225 58.200 -0.835 0.000 0.991 263 S CB -0.694 61.631 63.200 -1.459 0.000 0.823 263 S HN 0.766 nan 8.310 nan 0.000 0.469 264 G N 1.460 109.720 108.800 -0.899 0.000 2.421 264 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 264 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 264 G C 1.586 176.346 174.900 -0.234 0.000 1.171 264 G CA 0.951 45.883 45.100 -0.281 0.000 0.775 264 G HN 0.577 nan 8.290 nan 0.000 0.543 265 A N 0.934 123.570 122.820 -0.306 0.000 1.908 265 A HA -0.035 4.286 4.320 0.000 0.000 0.218 265 A C 2.326 179.673 177.584 -0.395 0.000 1.181 265 A CA 1.633 53.471 52.037 -0.333 0.000 0.627 265 A CB -0.284 18.499 19.000 -0.361 0.000 0.818 265 A HN 0.303 nan 8.150 nan 0.000 0.445 266 I N -0.173 120.158 120.570 -0.398 0.000 2.353 266 I HA -0.161 4.009 4.170 0.000 0.000 0.248 266 I C 2.905 178.756 176.117 -0.444 0.000 1.119 266 I CA 1.221 62.244 61.300 -0.462 0.000 1.417 266 I CB -1.799 35.957 38.000 -0.406 0.000 1.078 266 I HN 0.345 nan 8.210 nan 0.000 0.421 267 A N 1.362 124.013 122.820 -0.282 0.000 1.908 267 A HA -0.124 4.196 4.320 0.000 0.000 0.218 267 A C 2.524 179.988 177.584 -0.201 0.000 1.181 267 A CA 2.038 53.984 52.037 -0.151 0.000 0.627 267 A CB -1.358 17.709 19.000 0.112 0.000 0.818 267 A HN 0.424 nan 8.150 nan 0.000 0.445 268 G N -0.396 108.268 108.800 -0.226 0.000 2.402 268 G HA2 -0.114 3.846 3.960 0.000 0.000 0.216 268 G HA3 -0.114 3.846 3.960 0.000 0.000 0.216 268 G C 1.547 176.226 174.900 -0.368 0.000 1.162 268 G CA 0.988 45.949 45.100 -0.232 0.000 0.777 268 G HN 0.434 nan 8.290 nan 0.000 0.539 269 L N 0.187 121.029 121.223 -0.635 0.000 2.093 269 L HA -0.041 4.299 4.340 0.000 0.000 0.208 269 L C 2.931 179.300 176.870 -0.835 0.000 1.085 269 L CA 0.264 54.435 54.840 -1.114 0.000 0.755 269 L CB -0.324 40.461 42.059 -2.124 0.000 0.904 269 L HN 0.084 nan 8.230 nan 0.000 0.435 270 V N -0.027 119.519 119.914 -0.613 0.000 2.323 270 V HA -0.150 3.970 4.120 0.000 0.000 0.244 270 V C 2.607 178.592 176.094 -0.183 0.000 1.041 270 V CA 1.932 63.962 62.300 -0.449 0.000 1.025 270 V CB -1.097 30.425 31.823 -0.502 0.000 0.656 270 V HN 0.538 nan 8.190 nan 0.000 0.451 271 G N -0.758 107.951 108.800 -0.152 0.000 2.446 271 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 271 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 271 G C 1.718 176.634 174.900 0.027 0.000 1.168 271 G CA 1.182 46.260 45.100 -0.036 0.000 0.771 271 G HN 0.372 nan 8.290 nan 0.000 0.551 272 V N 0.740 120.640 119.914 -0.023 0.000 3.217 272 V HA -0.048 4.072 4.120 0.000 0.000 0.264 272 V C 2.908 179.112 176.094 0.183 0.000 1.135 272 V CA 2.159 64.484 62.300 0.041 0.000 1.142 272 V CB -0.566 31.234 31.823 -0.039 0.000 0.754 272 V HN 0.395 nan 8.190 nan 0.000 0.484 273 T N 1.892 116.612 114.554 0.277 0.000 2.597 273 T HA -0.122 4.229 4.350 0.000 0.000 0.267 273 T C -0.232 174.811 174.700 0.572 0.000 1.053 273 T CA 2.326 64.770 62.100 0.573 0.000 1.165 273 T CB -1.159 68.219 68.868 0.850 0.000 0.863 273 T HN 0.556 nan 8.240 nan 0.000 0.427 274 P HA 0.230 nan 4.420 nan 0.000 0.236 274 P C 0.704 178.312 177.300 0.513 0.000 1.177 274 P CA 0.771 64.181 63.100 0.517 0.000 0.773 274 P CB 0.010 31.966 31.700 0.425 0.000 0.878 275 A N -0.217 122.831 122.820 0.380 0.000 2.108 275 A HA 0.024 4.344 4.320 0.000 0.000 0.206 275 A C 2.314 179.985 177.584 0.145 0.000 1.212 275 A CA 0.677 52.907 52.037 0.321 0.000 0.843 275 A CB -1.571 17.574 19.000 0.241 0.000 0.902 275 A HN 0.353 nan 8.150 nan 0.000 0.477 276 C N -0.893 118.468 119.300 0.100 0.000 2.381 276 C HA -0.157 4.303 4.460 0.000 0.000 0.273 276 C C 2.478 177.282 174.990 -0.311 0.000 1.160 276 C CA 1.043 60.042 59.018 -0.032 0.000 1.817 276 C CB -1.755 26.038 27.740 0.088 0.000 2.123 276 C HN 0.539 nan 8.230 nan 0.000 0.464 277 G N -2.269 106.016 108.800 -0.859 0.000 2.880 277 G HA2 0.232 4.192 3.960 0.000 0.000 0.209 277 G HA3 0.232 4.192 3.960 0.000 0.000 0.209 277 G C 0.967 175.406 174.900 -0.769 0.000 1.157 277 G CA 0.467 44.735 45.100 -1.386 0.000 0.779 277 G HN 0.664 nan 8.290 nan 0.000 0.539 278 Y N 0.247 120.416 120.300 -0.218 0.000 2.444 278 Y HA 0.390 4.940 4.550 0.000 0.000 0.249 278 Y C 1.164 177.041 175.900 -0.038 0.000 1.134 278 Y CA -1.359 56.703 58.100 -0.062 0.000 1.261 278 Y CB 0.198 38.682 38.460 0.041 0.000 1.143 278 Y HN 0.218 nan 8.280 nan 0.000 0.523 279 I N -2.649 117.981 120.570 0.100 0.000 3.023 279 I HA 0.910 5.080 4.170 0.000 0.000 0.312 279 I C 0.586 176.724 176.117 0.035 0.000 1.056 279 I CA -1.355 59.998 61.300 0.088 0.000 1.033 279 I CB 1.436 39.503 38.000 0.111 0.000 1.233 279 I HN -0.067 nan 8.210 nan 0.000 0.462 280 G N 0.735 109.560 108.800 0.042 0.000 2.502 280 G HA2 0.377 4.337 3.960 0.000 0.000 0.305 280 G HA3 0.377 4.337 3.960 0.000 0.000 0.305 280 G C 0.495 175.396 174.900 0.002 0.000 1.190 280 G CA -0.478 44.636 45.100 0.023 0.000 0.933 280 G HN 0.640 nan 8.290 nan 0.000 0.503 281 V N 1.211 121.129 119.914 0.005 0.000 2.392 281 V HA -0.117 4.003 4.120 0.000 0.000 0.249 281 V C 2.744 178.822 176.094 -0.026 0.000 1.059 281 V CA 3.132 65.432 62.300 -0.001 0.000 1.051 281 V CB -0.787 31.046 31.823 0.016 0.000 0.658 281 V HN 0.851 nan 8.190 nan 0.000 0.455 282 G N -0.781 108.007 108.800 -0.020 0.000 2.418 282 G HA2 -0.169 3.792 3.960 0.000 0.000 0.217 282 G HA3 -0.169 3.792 3.960 0.000 0.000 0.217 282 G C 1.575 176.392 174.900 -0.137 0.000 1.158 282 G CA 0.808 45.886 45.100 -0.037 0.000 0.771 282 G HN 0.662 nan 8.290 nan 0.000 0.545 283 G N 0.882 109.576 108.800 -0.177 0.000 2.422 283 G HA2 0.102 4.062 3.960 0.000 0.000 0.218 283 G HA3 0.102 4.062 3.960 0.000 0.000 0.218 283 G C 1.983 176.618 174.900 -0.441 0.000 1.140 283 G CA 1.406 46.191 45.100 -0.526 0.000 0.775 283 G HN 0.626 nan 8.290 nan 0.000 0.545 284 A N 0.424 123.123 122.820 -0.201 0.000 1.898 284 A HA 0.126 4.447 4.320 0.000 0.000 0.216 284 A C 2.347 179.852 177.584 -0.132 0.000 1.181 284 A CA 1.322 53.280 52.037 -0.132 0.000 0.620 284 A CB -0.403 18.563 19.000 -0.056 0.000 0.819 284 A HN 0.366 nan 8.150 nan 0.000 0.442 285 L N -0.479 120.671 121.223 -0.120 0.000 2.017 285 L HA -0.161 4.179 4.340 0.000 0.000 0.208 285 L C 2.385 179.187 176.870 -0.113 0.000 1.073 285 L CA 1.516 56.304 54.840 -0.085 0.000 0.745 285 L CB -0.241 41.783 42.059 -0.058 0.000 0.894 285 L HN 0.442 nan 8.230 nan 0.000 0.432 286 I N -0.551 119.896 120.570 -0.204 0.000 2.090 286 I HA -0.353 3.817 4.170 0.000 0.000 0.236 286 I C 2.330 178.340 176.117 -0.179 0.000 1.064 286 I CA 1.658 62.832 61.300 -0.210 0.000 1.324 286 I CB -0.313 37.471 38.000 -0.359 0.000 1.044 286 I HN 0.160 nan 8.210 nan 0.000 0.399 287 I N 0.719 121.129 120.570 -0.267 0.000 2.185 287 I HA -0.316 3.854 4.170 0.000 0.000 0.246 287 I C 2.624 178.698 176.117 -0.071 0.000 1.088 287 I CA 1.809 63.029 61.300 -0.134 0.000 1.347 287 I CB -1.061 36.866 38.000 -0.121 0.000 1.041 287 I HN 0.373 nan 8.210 nan 0.000 0.415 288 G N 0.482 109.233 108.800 -0.081 0.000 2.459 288 G HA2 -0.201 3.759 3.960 0.000 0.000 0.217 288 G HA3 -0.201 3.759 3.960 0.000 0.000 0.217 288 G C 1.681 176.573 174.900 -0.013 0.000 1.183 288 G CA 1.083 46.152 45.100 -0.051 0.000 0.776 288 G HN 0.266 nan 8.290 nan 0.000 0.552 289 V N 0.504 120.412 119.914 -0.009 0.000 2.295 289 V HA -0.177 3.943 4.120 0.000 0.000 0.246 289 V C 3.037 179.146 176.094 0.024 0.000 1.049 289 V CA 1.540 63.854 62.300 0.024 0.000 1.024 289 V CB -0.648 31.185 31.823 0.017 0.000 0.648 289 V HN 0.240 nan 8.190 nan 0.000 0.447 290 V N 0.503 120.419 119.914 0.005 0.000 2.255 290 V HA -0.315 3.805 4.120 0.000 0.000 0.247 290 V C 2.764 178.866 176.094 0.012 0.000 1.051 290 V CA 2.286 64.590 62.300 0.006 0.000 1.018 290 V CB -1.271 30.560 31.823 0.014 0.000 0.641 290 V HN 0.570 nan 8.190 nan 0.000 0.445 291 A N 0.369 123.198 122.820 0.016 0.000 1.940 291 A HA -0.120 4.200 4.320 0.000 0.000 0.219 291 A C 2.421 180.051 177.584 0.077 0.000 1.176 291 A CA 2.044 54.098 52.037 0.028 0.000 0.631 291 A CB -1.267 17.730 19.000 -0.005 0.000 0.814 291 A HN 0.556 nan 8.150 nan 0.000 0.446 292 G N -0.178 108.679 108.800 0.096 0.000 2.446 292 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 292 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 292 G C 1.549 176.522 174.900 0.121 0.000 1.168 292 G CA 1.137 46.359 45.100 0.204 0.000 0.771 292 G HN 0.447 nan 8.290 nan 0.000 0.551 293 L N 0.560 121.802 121.223 0.031 0.000 2.109 293 L HA 0.090 4.431 4.340 0.000 0.000 0.207 293 L C 3.366 180.203 176.870 -0.054 0.000 1.086 293 L CA 0.801 55.609 54.840 -0.053 0.000 0.760 293 L CB -0.337 41.705 42.059 -0.027 0.000 0.910 293 L HN 0.283 nan 8.230 nan 0.000 0.437 294 A N 0.442 123.263 122.820 0.000 0.000 1.933 294 A HA -0.119 4.202 4.320 0.000 0.000 0.218 294 A C 2.400 180.080 177.584 0.160 0.000 1.175 294 A CA 1.730 53.804 52.037 0.062 0.000 0.628 294 A CB -1.203 17.815 19.000 0.030 0.000 0.814 294 A HN 0.429 nan 8.150 nan 0.000 0.444 295 G N -0.232 108.624 108.800 0.093 0.000 2.402 295 G HA2 -0.117 3.844 3.960 0.000 0.000 0.216 295 G HA3 -0.117 3.844 3.960 0.000 0.000 0.216 295 G C 1.468 176.272 174.900 -0.161 0.000 1.162 295 G CA 1.142 46.338 45.100 0.160 0.000 0.777 295 G HN 0.463 nan 8.290 nan 0.000 0.539 296 L N -0.218 120.529 121.223 -0.793 0.000 2.012 296 L HA -0.012 4.328 4.340 0.000 0.000 0.210 296 L C 2.454 179.125 176.870 -0.332 0.000 1.073 296 L CA 2.015 56.185 54.840 -1.116 0.000 0.748 296 L CB -0.855 40.487 42.059 -1.195 0.000 0.891 296 L HN 0.489 nan 8.230 nan 0.000 0.431 297 W N 0.261 121.382 121.300 -0.299 0.000 2.363 297 W HA -0.031 4.629 4.660 0.000 0.000 0.296 297 W C 2.183 178.656 176.519 -0.075 0.000 1.212 297 W CA 1.951 59.210 57.345 -0.143 0.000 1.260 297 W CB -0.708 28.694 29.460 -0.097 0.000 1.131 297 W HN 0.213 nan 8.180 nan 0.000 0.530 298 G N 0.608 109.431 108.800 0.037 0.000 2.440 298 G HA2 -0.307 3.653 3.960 0.000 0.000 0.218 298 G HA3 -0.307 3.653 3.960 0.000 0.000 0.218 298 G C 1.321 176.126 174.900 -0.160 0.000 1.154 298 G CA 2.112 47.132 45.100 -0.134 0.000 0.767 298 G HN 0.597 nan 8.290 nan 0.000 0.552 299 V N -2.268 117.614 119.914 -0.054 0.000 3.649 299 V HA 0.278 4.399 4.120 0.000 0.000 0.275 299 V C 1.696 177.767 176.094 -0.039 0.000 1.281 299 V CA 1.520 63.831 62.300 0.018 0.000 1.143 299 V CB 0.048 31.985 31.823 0.189 0.000 0.892 299 V HN 0.190 nan 8.190 nan 0.000 0.441 300 T N 0.246 114.716 114.554 -0.139 0.000 3.556 300 T HA 0.269 4.619 4.350 0.000 0.000 0.204 300 T C 1.793 176.373 174.700 -0.199 0.000 0.896 300 T CA 0.883 62.907 62.100 -0.126 0.000 1.380 300 T CB -0.112 68.696 68.868 -0.100 0.000 1.584 300 T HN 0.201 nan 8.240 nan 0.000 0.411 301 M N 1.079 120.495 119.600 -0.308 0.000 2.065 301 M HA -0.008 4.472 4.480 0.000 0.000 0.259 301 M C 2.463 178.495 176.300 -0.447 0.000 1.069 301 M CA 1.563 56.661 55.300 -0.337 0.000 1.110 301 M CB -1.230 31.162 32.600 -0.346 0.000 1.328 301 M HN 0.154 nan 8.290 nan 0.000 0.405 302 L N 0.714 121.425 121.223 -0.853 0.000 2.046 302 L HA -0.134 4.206 4.340 0.000 0.000 0.208 302 L C 2.512 179.218 176.870 -0.273 0.000 1.077 302 L CA 1.911 56.335 54.840 -0.694 0.000 0.747 302 L CB -0.770 40.649 42.059 -1.066 0.000 0.896 302 L HN 0.217 nan 8.230 nan 0.000 0.432 303 K N -0.018 120.253 120.400 -0.216 0.000 2.032 303 K HA -0.249 4.071 4.320 0.000 0.000 0.209 303 K C 2.229 178.800 176.600 -0.047 0.000 1.048 303 K CA 1.976 58.213 56.287 -0.083 0.000 0.927 303 K CB -0.080 32.394 32.500 -0.043 0.000 0.712 303 K HN 0.487 nan 8.250 nan 0.000 0.441 304 R N 0.495 120.963 120.500 -0.053 0.000 2.189 304 R HA -0.085 4.255 4.340 0.000 0.000 0.218 304 R C 2.117 178.417 176.300 -0.001 0.000 1.074 304 R CA 0.975 57.069 56.100 -0.009 0.000 0.991 304 R CB -0.554 29.738 30.300 -0.012 0.000 0.883 304 R HN 0.118 nan 8.270 nan 0.000 0.457 305 L N 0.420 121.628 121.223 -0.025 0.000 2.072 305 L HA 0.137 4.477 4.340 0.000 0.000 0.205 305 L C 1.882 178.774 176.870 0.038 0.000 1.079 305 L CA 1.491 56.335 54.840 0.006 0.000 0.752 305 L CB -0.133 41.923 42.059 -0.005 0.000 0.906 305 L HN 0.270 nan 8.230 nan 0.000 0.436 306 L N -0.673 120.570 121.223 0.034 0.000 2.313 306 L HA -0.011 4.329 4.340 0.000 0.000 0.214 306 L C 0.723 177.660 176.870 0.113 0.000 1.119 306 L CA 0.232 55.126 54.840 0.089 0.000 0.809 306 L CB -0.268 41.822 42.059 0.053 0.000 0.933 306 L HN 0.265 nan 8.230 nan 0.000 0.449 307 R N -0.202 120.329 120.500 0.052 0.000 3.333 307 R HA -0.132 4.208 4.340 0.000 0.000 0.256 307 R C -1.022 175.264 176.300 -0.023 0.000 1.010 307 R CA 0.138 56.272 56.100 0.058 0.000 0.680 307 R CB -2.336 28.022 30.300 0.097 0.000 1.102 307 R HN 0.183 nan 8.270 nan 0.000 0.440 308 V N -0.863 118.940 119.914 -0.185 0.000 2.680 308 V HA 0.288 4.408 4.120 0.000 0.000 0.309 308 V C 0.223 176.056 176.094 -0.436 0.000 1.052 308 V CA -0.964 61.073 62.300 -0.438 0.000 0.908 308 V CB 2.289 33.639 31.823 -0.788 0.000 1.001 308 V HN 0.043 nan 8.190 nan 0.000 0.431 309 D N 2.846 122.885 120.400 -0.602 0.000 2.468 309 D HA 0.184 4.825 4.640 0.000 0.000 0.218 309 D C -0.713 175.294 176.300 -0.489 0.000 1.155 309 D CA 0.052 53.589 54.000 -0.772 0.000 0.924 309 D CB 0.586 40.700 40.800 -1.142 0.000 1.029 309 D HN 0.640 nan 8.370 nan 0.000 0.515 310 D N 4.422 124.621 120.400 -0.335 0.000 2.485 310 D HA 0.240 4.880 4.640 0.000 0.000 0.256 310 D C -1.858 174.341 176.300 -0.169 0.000 1.141 310 D CA -2.264 51.596 54.000 -0.233 0.000 0.942 310 D CB 1.548 42.256 40.800 -0.153 0.000 1.003 310 D HN 0.133 nan 8.370 nan 0.000 0.507 311 P HA -0.062 nan 4.420 nan 0.000 0.219 311 P C 0.793 178.030 177.300 -0.105 0.000 1.146 311 P CA 0.819 63.828 63.100 -0.151 0.000 0.808 311 P CB 0.305 31.901 31.700 -0.174 0.000 0.779 312 C N -1.809 117.405 119.300 -0.145 0.000 2.974 312 C HA 0.212 4.672 4.460 0.000 0.000 0.282 312 C C 0.201 175.231 174.990 0.067 0.000 1.292 312 C CA -0.558 58.405 59.018 -0.091 0.000 1.710 312 C CB -1.527 26.012 27.740 -0.335 0.000 2.036 312 C HN 0.296 nan 8.230 nan 0.000 0.629 313 D N 0.768 121.201 120.400 0.054 0.000 2.689 313 D HA -0.129 4.512 4.640 0.000 0.000 0.237 313 D C 1.085 177.522 176.300 0.228 0.000 1.148 313 D CA 0.615 54.695 54.000 0.133 0.000 0.656 313 D CB -1.005 39.893 40.800 0.163 0.000 1.050 313 D HN 0.339 nan 8.370 nan 0.000 0.426 314 V N -0.805 119.238 119.914 0.216 0.000 2.427 314 V HA -0.233 3.887 4.120 0.000 0.000 0.248 314 V C 2.059 178.374 176.094 0.368 0.000 1.051 314 V CA 1.811 64.317 62.300 0.344 0.000 1.048 314 V CB -0.461 31.488 31.823 0.210 0.000 0.666 314 V HN 0.371 nan 8.190 nan 0.000 0.456 315 F N 2.150 122.189 119.950 0.148 0.000 2.187 315 F HA 0.147 4.674 4.527 0.000 0.000 0.295 315 F C 2.230 178.121 175.800 0.152 0.000 1.091 315 F CA 1.268 59.356 58.000 0.146 0.000 1.308 315 F CB -0.697 38.349 39.000 0.077 0.000 1.030 315 F HN 0.142 nan 8.300 nan 0.000 0.487 316 G N -0.489 108.379 108.800 0.113 0.000 2.470 316 G HA2 -0.127 3.833 3.960 0.000 0.000 0.220 316 G HA3 -0.127 3.833 3.960 0.000 0.000 0.220 316 G C 1.410 176.333 174.900 0.039 0.000 1.121 316 G CA 1.353 46.471 45.100 0.031 0.000 0.766 316 G HN 0.359 nan 8.290 nan 0.000 0.553 317 V N -0.933 119.026 119.914 0.075 0.000 2.743 317 V HA 0.089 4.209 4.120 0.000 0.000 0.237 317 V C 2.188 178.216 176.094 -0.111 0.000 1.113 317 V CA 0.615 62.926 62.300 0.018 0.000 1.141 317 V CB -0.422 31.410 31.823 0.014 0.000 0.873 317 V HN 0.334 nan 8.190 nan 0.000 0.486 318 H N 0.428 119.547 119.070 0.082 0.000 2.436 318 H HA 0.036 4.592 4.556 0.000 0.000 0.294 318 H C 2.246 177.618 175.328 0.075 0.000 1.048 318 H CA 1.515 57.635 56.048 0.120 0.000 1.353 318 H CB 0.009 29.925 29.762 0.256 0.000 1.414 318 H HN 0.485 nan 8.280 nan 0.000 0.536 319 G N 0.470 109.265 108.800 -0.009 0.000 2.439 319 G HA2 -0.117 3.843 3.960 0.000 0.000 0.212 319 G HA3 -0.117 3.843 3.960 0.000 0.000 0.212 319 G C 1.889 176.632 174.900 -0.261 0.000 1.199 319 G CA 0.654 45.616 45.100 -0.230 0.000 0.807 319 G HN 0.186 nan 8.290 nan 0.000 0.537 320 V N 0.947 120.635 119.914 -0.376 0.000 2.287 320 V HA -0.229 3.891 4.120 0.000 0.000 0.248 320 V C 2.968 179.062 176.094 -0.001 0.000 1.053 320 V CA 1.899 64.132 62.300 -0.112 0.000 1.027 320 V CB -0.717 31.118 31.823 0.020 0.000 0.646 320 V HN 0.494 nan 8.190 nan 0.000 0.447 321 C N 0.706 120.000 119.300 -0.010 0.000 2.456 321 C HA 0.124 4.584 4.460 0.000 0.000 0.279 321 C C 2.723 177.728 174.990 0.025 0.000 1.427 321 C CA 0.231 59.249 59.018 0.001 0.000 1.778 321 C CB -1.680 26.033 27.740 -0.045 0.000 1.842 321 C HN 0.689 nan 8.230 nan 0.000 0.531 322 G N 0.962 109.800 108.800 0.063 0.000 2.395 322 G HA2 -0.061 3.899 3.960 0.000 0.000 0.214 322 G HA3 -0.061 3.899 3.960 0.000 0.000 0.214 322 G C 1.432 176.425 174.900 0.154 0.000 1.177 322 G CA 0.481 45.675 45.100 0.156 0.000 0.794 322 G HN 0.474 nan 8.290 nan 0.000 0.532 323 I N 0.426 121.071 120.570 0.125 0.000 2.127 323 I HA -0.186 3.984 4.170 0.000 0.000 0.241 323 I C 2.824 179.007 176.117 0.110 0.000 1.075 323 I CA 0.668 62.043 61.300 0.125 0.000 1.334 323 I CB -0.424 37.648 38.000 0.119 0.000 1.040 323 I HN 0.011 nan 8.210 nan 0.000 0.405 324 V N 1.110 121.075 119.914 0.086 0.000 2.282 324 V HA -0.310 3.810 4.120 0.000 0.000 0.249 324 V C 2.550 178.706 176.094 0.104 0.000 1.057 324 V CA 2.422 64.767 62.300 0.076 0.000 1.032 324 V CB -1.501 30.351 31.823 0.049 0.000 0.645 324 V HN 0.634 nan 8.190 nan 0.000 0.447 325 G N -1.481 107.385 108.800 0.111 0.000 2.421 325 G HA2 -0.281 3.679 3.960 0.000 0.000 0.216 325 G HA3 -0.281 3.679 3.960 0.000 0.000 0.216 325 G C 1.742 176.752 174.900 0.183 0.000 1.171 325 G CA 1.318 46.503 45.100 0.142 0.000 0.775 325 G HN 0.549 nan 8.290 nan 0.000 0.543 326 C N 0.278 119.689 119.300 0.185 0.000 2.425 326 C HA 0.075 4.536 4.460 0.000 0.000 0.277 326 C C 2.831 177.918 174.990 0.162 0.000 1.280 326 C CA 0.342 59.474 59.018 0.190 0.000 1.744 326 C CB -0.950 26.896 27.740 0.177 0.000 1.989 326 C HN 0.462 nan 8.230 nan 0.000 0.491 327 I N 0.230 120.885 120.570 0.140 0.000 2.252 327 I HA -0.219 3.952 4.170 0.000 0.000 0.245 327 I C 2.455 178.657 176.117 0.143 0.000 1.102 327 I CA 1.643 63.014 61.300 0.119 0.000 1.385 327 I CB -0.313 37.743 38.000 0.094 0.000 1.064 327 I HN 0.309 nan 8.210 nan 0.000 0.414 328 M N -0.349 119.361 119.600 0.183 0.000 2.476 328 M HA -0.105 4.375 4.480 0.000 0.000 0.262 328 M C 2.086 178.577 176.300 0.319 0.000 1.079 328 M CA 1.276 56.740 55.300 0.274 0.000 1.104 328 M CB -0.337 32.462 32.600 0.332 0.000 1.409 328 M HN 0.186 nan 8.290 nan 0.000 0.467 329 T N 0.080 114.788 114.554 0.258 0.000 2.821 329 T HA -0.075 4.276 4.350 0.000 0.000 0.267 329 T C 1.817 176.648 174.700 0.219 0.000 1.046 329 T CA 1.557 63.814 62.100 0.261 0.000 1.139 329 T CB -0.573 68.461 68.868 0.277 0.000 0.871 329 T HN 0.625 nan 8.240 nan 0.000 0.454 330 G N 0.324 109.245 108.800 0.201 0.000 2.559 330 G HA2 0.005 3.965 3.960 0.000 0.000 0.216 330 G HA3 0.005 3.965 3.960 0.000 0.000 0.216 330 G C 1.330 176.396 174.900 0.275 0.000 1.126 330 G CA 0.271 45.506 45.100 0.226 0.000 0.778 330 G HN 0.469 nan 8.290 nan 0.000 0.543 331 I N -1.336 119.334 120.570 0.168 0.000 2.900 331 I HA 0.202 4.372 4.170 0.000 0.000 0.251 331 I C 1.641 177.690 176.117 -0.114 0.000 1.102 331 I CA 0.095 61.396 61.300 0.003 0.000 1.457 331 I CB 0.056 37.936 38.000 -0.200 0.000 1.285 331 I HN 0.003 nan 8.210 nan 0.000 0.459 332 F N 1.290 121.287 119.950 0.079 0.000 2.771 332 F HA 0.047 4.574 4.527 0.000 0.000 0.299 332 F C 2.287 178.057 175.800 -0.049 0.000 1.177 332 F CA 0.642 58.656 58.000 0.024 0.000 1.450 332 F CB -0.532 38.492 39.000 0.039 0.000 1.114 332 F HN 0.010 nan 8.300 nan 0.000 0.587 333 A N 0.242 123.053 122.820 -0.014 0.000 2.119 333 A HA 0.355 4.675 4.320 0.000 0.000 0.216 333 A C 1.635 178.877 177.584 -0.570 0.000 1.152 333 A CA 0.491 52.397 52.037 -0.218 0.000 0.708 333 A CB -0.868 17.966 19.000 -0.277 0.000 0.805 333 A HN 0.152 nan 8.150 nan 0.000 0.460 334 A N -0.093 122.325 122.820 -0.669 0.000 2.531 334 A HA 0.344 4.664 4.320 0.000 0.000 0.236 334 A C 1.501 178.943 177.584 -0.237 0.000 1.062 334 A CA 0.479 52.167 52.037 -0.582 0.000 0.760 334 A CB 0.049 18.988 19.000 -0.103 0.000 0.995 334 A HN 0.388 nan 8.150 nan 0.000 0.501 335 S N 1.298 116.902 115.700 -0.159 0.000 2.359 335 S HA -0.187 4.283 4.470 0.000 0.000 0.224 335 S C 2.190 176.780 174.600 -0.016 0.000 1.035 335 S CA 1.889 60.054 58.200 -0.059 0.000 1.018 335 S CB -0.449 62.739 63.200 -0.020 0.000 0.876 335 S HN 1.173 nan 8.310 nan 0.000 0.448 336 S N 1.071 116.770 115.700 -0.001 0.000 2.537 336 S HA 0.094 4.564 4.470 0.000 0.000 0.240 336 S C 1.081 175.697 174.600 0.026 0.000 0.981 336 S CA 0.592 58.801 58.200 0.016 0.000 0.948 336 S CB -0.429 62.784 63.200 0.021 0.000 0.759 336 S HN 0.432 nan 8.310 nan 0.000 0.531 337 L N 0.701 121.940 121.223 0.028 0.000 2.965 337 L HA 0.435 4.775 4.340 0.000 0.000 0.254 337 L C 1.506 178.457 176.870 0.134 0.000 1.220 337 L CA 0.134 55.031 54.840 0.095 0.000 1.023 337 L CB -0.011 42.097 42.059 0.081 0.000 1.355 337 L HN 0.495 nan 8.230 nan 0.000 0.545 338 G N -0.095 108.747 108.800 0.069 0.000 2.159 338 G HA2 -0.239 3.721 3.960 0.000 0.000 0.256 338 G HA3 -0.239 3.721 3.960 0.000 0.000 0.256 338 G C 0.603 175.530 174.900 0.045 0.000 0.977 338 G CA -0.077 45.057 45.100 0.057 0.000 0.652 338 G HN 0.519 nan 8.290 nan 0.000 0.531 339 G N -1.252 107.566 108.800 0.029 0.000 2.616 339 G HA2 0.500 4.460 3.960 0.000 0.000 0.268 339 G HA3 0.500 4.460 3.960 0.000 0.000 0.268 339 G C 1.088 175.973 174.900 -0.026 0.000 1.213 339 G CA 0.330 45.428 45.100 -0.004 0.000 0.926 339 G HN 0.728 nan 8.290 nan 0.000 0.523 340 V N 0.530 120.438 119.914 -0.011 0.000 3.306 340 V HA 0.334 4.454 4.120 0.000 0.000 0.264 340 V C 1.498 177.578 176.094 -0.023 0.000 1.149 340 V CA 1.769 64.079 62.300 0.016 0.000 1.143 340 V CB -1.001 30.879 31.823 0.095 0.000 0.767 340 V HN 1.673 nan 8.190 nan 0.000 0.476 341 G N -0.691 108.023 108.800 -0.142 0.000 2.719 341 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 341 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 341 G C -0.596 174.182 174.900 -0.203 0.000 1.201 341 G CA -0.649 44.330 45.100 -0.201 0.000 0.768 341 G HN 0.090 nan 8.290 nan 0.000 0.629 342 F N 1.149 121.114 119.950 0.025 0.000 2.373 342 F HA 0.663 5.190 4.527 0.000 0.000 0.302 342 F C 1.482 177.296 175.800 0.023 0.000 1.247 342 F CA 0.455 58.459 58.000 0.007 0.000 1.169 342 F CB 0.240 39.242 39.000 0.005 0.000 1.309 342 F HN 0.932 nan 8.300 nan 0.000 0.537 343 A N 0.091 123.062 122.820 0.251 0.000 2.406 343 A HA 0.211 4.531 4.320 0.000 0.000 0.243 343 A C -0.101 177.555 177.584 0.120 0.000 1.082 343 A CA -0.498 51.628 52.037 0.148 0.000 0.786 343 A CB -0.204 18.867 19.000 0.119 0.000 1.029 343 A HN 0.703 nan 8.150 nan 0.000 0.495 344 E N 0.053 120.302 120.200 0.081 0.000 2.558 344 E HA 0.332 4.682 4.350 0.000 0.000 0.255 344 E C 1.240 177.856 176.600 0.026 0.000 0.968 344 E CA 1.740 58.172 56.400 0.054 0.000 0.939 344 E CB -0.180 29.545 29.700 0.041 0.000 0.921 344 E HN 1.549 nan 8.360 nan 0.000 0.477 345 G N 2.717 111.526 108.800 0.016 0.000 2.153 345 G HA2 -0.246 3.715 3.960 0.000 0.000 0.252 345 G HA3 -0.246 3.715 3.960 0.000 0.000 0.252 345 G C -0.043 174.812 174.900 -0.075 0.000 0.994 345 G CA 0.225 45.308 45.100 -0.028 0.000 0.698 345 G HN 0.471 nan 8.290 nan 0.000 0.521 346 V N 1.419 121.309 119.914 -0.040 0.000 2.472 346 V HA 0.753 4.873 4.120 0.000 0.000 0.290 346 V C 0.882 176.866 176.094 -0.185 0.000 1.037 346 V CA 0.107 62.337 62.300 -0.117 0.000 0.908 346 V CB 1.648 33.447 31.823 -0.040 0.000 0.985 346 V HN 0.692 nan 8.190 nan 0.000 0.454 347 T N 1.594 115.990 114.554 -0.262 0.000 2.952 347 T HA 0.425 4.775 4.350 0.000 0.000 0.286 347 T C 1.027 175.377 174.700 -0.583 0.000 1.024 347 T CA -0.600 61.322 62.100 -0.296 0.000 1.029 347 T CB 1.504 70.288 68.868 -0.141 0.000 1.094 347 T HN 0.555 nan 8.240 nan 0.000 0.515 348 M N 1.074 120.354 119.600 -0.534 0.000 2.117 348 M HA 0.037 4.517 4.480 0.000 0.000 0.262 348 M C 2.249 178.399 176.300 -0.251 0.000 1.065 348 M CA 2.372 57.379 55.300 -0.488 0.000 1.114 348 M CB -1.063 31.487 32.600 -0.083 0.000 1.361 348 M HN 0.940 nan 8.290 nan 0.000 0.408 349 G N -0.697 108.017 108.800 -0.144 0.000 2.440 349 G HA2 -0.299 3.662 3.960 0.000 0.000 0.218 349 G HA3 -0.299 3.662 3.960 0.000 0.000 0.218 349 G C 1.475 176.329 174.900 -0.076 0.000 1.154 349 G CA 1.231 46.283 45.100 -0.080 0.000 0.767 349 G HN 0.626 nan 8.290 nan 0.000 0.552 350 H N 0.015 118.974 119.070 -0.185 0.000 2.299 350 H HA -0.082 4.474 4.556 0.000 0.000 0.302 350 H C 2.725 177.953 175.328 -0.166 0.000 1.078 350 H CA 1.986 57.935 56.048 -0.164 0.000 1.323 350 H CB 0.010 29.669 29.762 -0.173 0.000 1.381 350 H HN 0.362 nan 8.280 nan 0.000 0.498 351 Q N 0.972 120.654 119.800 -0.196 0.000 2.112 351 Q HA -0.124 4.217 4.340 0.000 0.000 0.206 351 Q C 2.705 178.633 176.000 -0.120 0.000 0.987 351 Q CA 1.508 57.204 55.803 -0.178 0.000 0.858 351 Q CB -0.520 28.067 28.738 -0.251 0.000 0.905 351 Q HN 0.519 nan 8.270 nan 0.000 0.420 352 L N -0.496 120.661 121.223 -0.109 0.000 2.127 352 L HA -0.208 4.132 4.340 0.000 0.000 0.211 352 L C 2.247 179.079 176.870 -0.062 0.000 1.089 352 L CA 0.942 55.750 54.840 -0.052 0.000 0.757 352 L CB -0.412 41.623 42.059 -0.040 0.000 0.899 352 L HN 0.308 nan 8.230 nan 0.000 0.434 353 L N -1.247 119.903 121.223 -0.122 0.000 2.156 353 L HA -0.156 4.184 4.340 0.000 0.000 0.208 353 L C 2.391 179.194 176.870 -0.112 0.000 1.095 353 L CA 0.590 55.356 54.840 -0.122 0.000 0.770 353 L CB -0.292 41.656 42.059 -0.184 0.000 0.914 353 L HN 0.064 nan 8.230 nan 0.000 0.439 354 V N -0.959 118.865 119.914 -0.151 0.000 2.453 354 V HA -0.202 3.918 4.120 0.000 0.000 0.247 354 V C 2.474 178.566 176.094 -0.004 0.000 1.048 354 V CA 1.203 63.456 62.300 -0.078 0.000 1.049 354 V CB -0.450 31.320 31.823 -0.088 0.000 0.672 354 V HN 0.438 nan 8.190 nan 0.000 0.457 355 Q N -0.011 119.791 119.800 0.003 0.000 2.046 355 Q HA -0.076 4.265 4.340 0.000 0.000 0.200 355 Q C 2.307 178.338 176.000 0.051 0.000 0.975 355 Q CA 1.491 57.321 55.803 0.045 0.000 0.836 355 Q CB -0.474 28.302 28.738 0.063 0.000 0.896 355 Q HN 0.533 nan 8.270 nan 0.000 0.428 356 L N 0.833 122.076 121.223 0.034 0.000 2.083 356 L HA -0.177 4.163 4.340 0.000 0.000 0.209 356 L C 2.576 179.477 176.870 0.052 0.000 1.083 356 L CA 1.300 56.166 54.840 0.045 0.000 0.752 356 L CB -0.425 41.651 42.059 0.028 0.000 0.899 356 L HN 0.322 nan 8.230 nan 0.000 0.433 357 E N 0.122 120.346 120.200 0.039 0.000 2.047 357 E HA -0.186 4.164 4.350 0.000 0.000 0.191 357 E C 2.187 178.826 176.600 0.065 0.000 0.987 357 E CA 1.543 57.976 56.400 0.056 0.000 0.799 357 E CB 0.106 29.842 29.700 0.060 0.000 0.752 357 E HN 0.398 nan 8.360 nan 0.000 0.449 358 S N 1.023 116.754 115.700 0.053 0.000 2.359 358 S HA -0.173 4.297 4.470 0.000 0.000 0.224 358 S C 2.039 176.673 174.600 0.057 0.000 1.035 358 S CA 1.448 59.669 58.200 0.036 0.000 1.018 358 S CB -0.322 62.893 63.200 0.025 0.000 0.876 358 S HN 0.315 nan 8.310 nan 0.000 0.448 359 I N 1.822 122.440 120.570 0.081 0.000 2.179 359 I HA -0.206 3.964 4.170 0.000 0.000 0.242 359 I C 2.796 178.989 176.117 0.126 0.000 1.088 359 I CA 1.095 62.462 61.300 0.111 0.000 1.357 359 I CB -0.667 37.406 38.000 0.122 0.000 1.051 359 I HN 0.269 nan 8.210 nan 0.000 0.409 360 A N 1.276 124.164 122.820 0.113 0.000 1.892 360 A HA -0.217 4.104 4.320 0.000 0.000 0.218 360 A C 2.328 179.995 177.584 0.139 0.000 1.188 360 A CA 1.762 53.870 52.037 0.120 0.000 0.631 360 A CB -0.946 18.113 19.000 0.098 0.000 0.822 360 A HN 0.393 nan 8.150 nan 0.000 0.447 361 I N -0.505 120.146 120.570 0.134 0.000 2.179 361 I HA -0.242 3.928 4.170 0.000 0.000 0.242 361 I C 2.581 178.826 176.117 0.213 0.000 1.088 361 I CA 1.859 63.265 61.300 0.176 0.000 1.357 361 I CB -0.635 37.451 38.000 0.143 0.000 1.051 361 I HN 0.282 nan 8.210 nan 0.000 0.409 362 T N 1.014 115.656 114.554 0.147 0.000 2.833 362 T HA -0.113 4.237 4.350 0.000 0.000 0.269 362 T C 1.883 176.728 174.700 0.242 0.000 1.054 362 T CA 1.275 63.468 62.100 0.155 0.000 1.135 362 T CB -0.221 68.705 68.868 0.096 0.000 0.869 362 T HN 0.268 nan 8.240 nan 0.000 0.466 363 I N 0.576 121.282 120.570 0.228 0.000 2.286 363 I HA -0.100 4.071 4.170 0.000 0.000 0.245 363 I C 2.377 178.633 176.117 0.231 0.000 1.104 363 I CA 0.826 62.271 61.300 0.243 0.000 1.397 363 I CB -0.258 37.873 38.000 0.219 0.000 1.072 363 I HN 0.103 nan 8.210 nan 0.000 0.417 364 V N 0.010 120.049 119.914 0.207 0.000 2.379 364 V HA -0.236 3.884 4.120 0.000 0.000 0.245 364 V C 2.109 178.318 176.094 0.192 0.000 1.044 364 V CA 1.456 63.853 62.300 0.163 0.000 1.036 364 V CB -0.611 31.284 31.823 0.119 0.000 0.664 364 V HN 0.581 nan 8.190 nan 0.000 0.453 365 W N 0.730 122.079 121.300 0.082 0.000 2.353 365 W HA -0.203 4.457 4.660 0.000 0.000 0.319 365 W C 2.923 179.507 176.519 0.109 0.000 1.207 365 W CA 2.345 59.727 57.345 0.061 0.000 1.291 365 W CB -0.656 28.813 29.460 0.016 0.000 1.159 365 W HN 0.342 nan 8.180 nan 0.000 0.478 366 S N 0.107 116.110 115.700 0.505 0.000 2.368 366 S HA -0.108 4.362 4.470 0.000 0.000 0.225 366 S C 2.044 176.958 174.600 0.524 0.000 1.030 366 S CA 2.020 60.556 58.200 0.560 0.000 0.999 366 S CB -0.889 62.668 63.200 0.594 0.000 0.844 366 S HN 0.294 nan 8.310 nan 0.000 0.459 367 G N 0.746 109.769 108.800 0.373 0.000 2.421 367 G HA2 -0.143 3.817 3.960 0.000 0.000 0.216 367 G HA3 -0.143 3.817 3.960 0.000 0.000 0.216 367 G C 1.497 176.573 174.900 0.293 0.000 1.171 367 G CA 1.113 46.399 45.100 0.310 0.000 0.775 367 G HN 0.463 nan 8.290 nan 0.000 0.543 368 V N 0.386 120.414 119.914 0.189 0.000 2.295 368 V HA -0.166 3.954 4.120 0.000 0.000 0.246 368 V C 3.056 179.275 176.094 0.209 0.000 1.049 368 V CA 1.565 63.938 62.300 0.122 0.000 1.024 368 V CB -0.369 31.425 31.823 -0.049 0.000 0.648 368 V HN 0.247 nan 8.190 nan 0.000 0.447 369 V N 0.290 120.317 119.914 0.188 0.000 2.295 369 V HA -0.263 3.857 4.120 0.000 0.000 0.246 369 V C 2.725 179.036 176.094 0.363 0.000 1.049 369 V CA 2.029 64.453 62.300 0.206 0.000 1.024 369 V CB -1.226 30.680 31.823 0.138 0.000 0.648 369 V HN 0.561 nan 8.190 nan 0.000 0.447 370 A N -0.386 122.782 122.820 0.580 0.000 1.917 370 A HA -0.290 4.030 4.320 0.000 0.000 0.219 370 A C 2.134 180.045 177.584 0.547 0.000 1.182 370 A CA 2.277 54.699 52.037 0.643 0.000 0.633 370 A CB -0.809 18.578 19.000 0.645 0.000 0.819 370 A HN 0.547 nan 8.150 nan 0.000 0.448 371 F N 0.598 120.765 119.950 0.362 0.000 2.095 371 F HA -0.187 4.340 4.527 0.000 0.000 0.298 371 F C 1.972 177.913 175.800 0.235 0.000 1.104 371 F CA 1.897 60.077 58.000 0.300 0.000 1.232 371 F CB -0.228 38.879 39.000 0.178 0.000 0.987 371 F HN 0.200 nan 8.300 nan 0.000 0.475 372 I N 0.149 120.890 120.570 0.285 0.000 2.163 372 I HA -0.266 3.904 4.170 0.000 0.000 0.243 372 I C 2.798 178.943 176.117 0.047 0.000 1.085 372 I CA 1.511 62.889 61.300 0.130 0.000 1.347 372 I CB -1.396 36.681 38.000 0.128 0.000 1.044 372 I HN 0.305 nan 8.210 nan 0.000 0.408 373 G N 0.033 108.876 108.800 0.073 0.000 2.440 373 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 373 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 373 G C 1.462 176.463 174.900 0.167 0.000 1.154 373 G CA 0.781 45.904 45.100 0.039 0.000 0.767 373 G HN 0.268 nan 8.290 nan 0.000 0.552 374 Y N 1.037 121.505 120.300 0.280 0.000 2.200 374 Y HA 0.018 4.568 4.550 0.000 0.000 0.290 374 Y C 2.823 178.669 175.900 -0.091 0.000 1.137 374 Y CA 1.165 59.287 58.100 0.036 0.000 1.163 374 Y CB -0.047 38.348 38.460 -0.108 0.000 0.988 374 Y HN 0.001 nan 8.280 nan 0.000 0.518 375 K N -0.268 120.087 120.400 -0.075 0.000 2.097 375 K HA -0.114 4.207 4.320 0.000 0.000 0.205 375 K C 2.089 178.662 176.600 -0.046 0.000 1.050 375 K CA 0.689 56.889 56.287 -0.146 0.000 0.938 375 K CB -0.867 31.442 32.500 -0.319 0.000 0.718 375 K HN 0.257 nan 8.250 nan 0.000 0.442 376 L N 1.059 122.272 121.223 -0.016 0.000 2.141 376 L HA -0.047 4.294 4.340 0.000 0.000 0.209 376 L C 2.020 178.903 176.870 0.023 0.000 1.094 376 L CA 1.600 56.442 54.840 0.005 0.000 0.763 376 L CB -0.719 41.345 42.059 0.008 0.000 0.908 376 L HN 0.117 nan 8.230 nan 0.000 0.437 377 A N -1.333 121.518 122.820 0.052 0.000 1.930 377 A HA -0.163 4.158 4.320 0.000 0.000 0.215 377 A C 2.066 179.673 177.584 0.039 0.000 1.176 377 A CA 1.321 53.395 52.037 0.062 0.000 0.632 377 A CB -0.619 18.451 19.000 0.117 0.000 0.819 377 A HN 0.460 nan 8.150 nan 0.000 0.445 378 D N -0.010 120.407 120.400 0.029 0.000 2.144 378 D HA -0.067 4.573 4.640 0.000 0.000 0.200 378 D C 1.730 178.030 176.300 -0.000 0.000 0.978 378 D CA 0.974 54.977 54.000 0.005 0.000 0.833 378 D CB -0.147 40.643 40.800 -0.017 0.000 0.961 378 D HN 0.407 nan 8.370 nan 0.000 0.470 379 L N -0.229 120.993 121.223 -0.002 0.000 2.313 379 L HA 0.001 4.342 4.340 0.000 0.000 0.214 379 L C 2.303 179.175 176.870 0.004 0.000 1.119 379 L CA 1.298 56.138 54.840 -0.001 0.000 0.809 379 L CB -0.330 41.727 42.059 -0.003 0.000 0.933 379 L HN 0.175 nan 8.230 nan 0.000 0.449 380 T N -3.348 111.210 114.554 0.008 0.000 2.925 380 T HA -0.007 4.343 4.350 0.000 0.000 0.245 380 T C 1.445 176.152 174.700 0.011 0.000 1.025 380 T CA 1.025 63.130 62.100 0.009 0.000 1.149 380 T CB -0.206 68.669 68.868 0.011 0.000 0.866 380 T HN 0.161 nan 8.240 nan 0.000 0.437 381 V N -2.312 117.610 119.914 0.013 0.000 3.572 381 V HA 0.690 4.810 4.120 0.000 0.000 0.260 381 V C 1.005 177.105 176.094 0.011 0.000 1.324 381 V CA 0.058 62.366 62.300 0.014 0.000 1.068 381 V CB -0.511 31.323 31.823 0.018 0.000 0.837 381 V HN 1.014 nan 8.190 nan 0.000 0.450 382 G N 0.410 109.216 108.800 0.010 0.000 3.055 382 G HA2 -0.114 3.846 3.960 0.000 0.000 0.686 382 G HA3 -0.114 3.846 3.960 0.000 0.000 0.686 382 G C -0.292 174.610 174.900 0.005 0.000 1.087 382 G CA -0.074 45.028 45.100 0.003 0.000 0.779 382 G HN 0.291 nan 8.290 nan 0.000 0.599 383 L N 0.839 122.060 121.223 -0.004 0.000 2.068 383 L HA 0.178 4.519 4.340 0.000 0.000 0.204 383 L C 2.022 178.875 176.870 -0.028 0.000 1.076 383 L CA 1.149 55.982 54.840 -0.012 0.000 0.753 383 L CB -0.016 42.020 42.059 -0.038 0.000 0.910 383 L HN 0.621 nan 8.230 nan 0.000 0.439 384 R N -0.158 120.321 120.500 -0.035 0.000 2.407 384 R HA 0.381 4.721 4.340 0.000 0.000 0.303 384 R C -0.800 175.488 176.300 -0.021 0.000 0.981 384 R CA -0.517 55.560 56.100 -0.038 0.000 0.905 384 R CB 1.587 31.857 30.300 -0.051 0.000 1.099 384 R HN -0.204 nan 8.270 nan 0.000 0.459 385 V N 6.187 126.090 119.914 -0.018 0.000 2.811 385 V HA 0.156 4.276 4.120 0.000 0.000 0.302 385 V C -1.860 174.227 176.094 -0.012 0.000 1.063 385 V CA -1.421 60.872 62.300 -0.011 0.000 1.088 385 V CB 1.265 33.083 31.823 -0.010 0.000 0.982 385 V HN 0.823 nan 8.190 nan 0.000 0.485 386 P HA 0.053 nan 4.420 nan 0.000 0.266 386 P C 0.667 177.965 177.300 -0.003 0.000 1.195 386 P CA -0.027 63.069 63.100 -0.006 0.000 0.768 386 P CB 0.386 32.083 31.700 -0.005 0.000 0.838 387 E N 3.128 123.329 120.200 0.000 0.000 2.147 387 E HA -0.308 4.043 4.350 0.000 0.000 0.199 387 E C 1.141 177.747 176.600 0.009 0.000 1.005 387 E CA 1.529 57.933 56.400 0.007 0.000 0.810 387 E CB -0.460 29.247 29.700 0.011 0.000 0.736 387 E HN 0.496 nan 8.360 nan 0.000 0.460 388 E N 0.954 121.157 120.200 0.005 0.000 2.110 388 E HA -0.249 4.101 4.350 0.000 0.000 0.193 388 E C 2.101 178.702 176.600 0.002 0.000 0.988 388 E CA 1.360 57.762 56.400 0.004 0.000 0.804 388 E CB -0.399 29.302 29.700 0.001 0.000 0.745 388 E HN 0.592 nan 8.360 nan 0.000 0.458 389 Q N 0.515 120.314 119.800 -0.001 0.000 2.187 389 Q HA -0.045 4.295 4.340 0.000 0.000 0.199 389 Q C 2.145 178.144 176.000 -0.000 0.000 0.957 389 Q CA 0.762 56.562 55.803 -0.006 0.000 0.857 389 Q CB 0.020 28.750 28.738 -0.013 0.000 0.929 389 Q HN 0.390 nan 8.270 nan 0.000 0.453 390 E N 1.280 121.484 120.200 0.006 0.000 2.072 390 E HA -0.168 4.183 4.350 0.000 0.000 0.191 390 E C 1.949 178.567 176.600 0.029 0.000 0.985 390 E CA 0.659 57.069 56.400 0.017 0.000 0.801 390 E CB 0.201 29.913 29.700 0.019 0.000 0.750 390 E HN 0.219 nan 8.360 nan 0.000 0.452 391 R N 0.316 120.831 120.500 0.026 0.000 2.081 391 R HA -0.148 4.192 4.340 0.000 0.000 0.235 391 R C 2.238 178.547 176.300 0.015 0.000 1.131 391 R CA 1.780 57.896 56.100 0.026 0.000 0.960 391 R CB -0.133 30.178 30.300 0.019 0.000 0.856 391 R HN 0.345 nan 8.270 nan 0.000 0.436 392 E N -0.242 119.963 120.200 0.007 0.000 2.481 392 E HA 0.138 4.489 4.350 0.000 0.000 0.195 392 E C 0.371 176.971 176.600 -0.001 0.000 1.047 392 E CA 0.343 56.744 56.400 0.001 0.000 0.867 392 E CB 0.409 30.107 29.700 -0.003 0.000 0.858 392 E HN 0.260 nan 8.360 nan 0.000 0.513 393 G N 0.973 109.775 108.800 0.003 0.000 2.784 393 G HA2 -0.199 3.761 3.960 0.000 0.000 0.686 393 G HA3 -0.199 3.761 3.960 0.000 0.000 0.686 393 G C 0.104 175.001 174.900 -0.005 0.000 1.156 393 G CA -0.363 44.738 45.100 0.000 0.000 0.757 393 G HN 0.100 nan 8.290 nan 0.000 0.642 394 L N 0.794 122.018 121.223 0.003 0.000 2.217 394 L HA -0.001 4.340 4.340 0.000 0.000 0.211 394 L C 2.528 179.408 176.870 0.017 0.000 1.107 394 L CA 1.534 56.376 54.840 0.002 0.000 0.783 394 L CB -0.510 41.568 42.059 0.032 0.000 0.919 394 L HN 0.624 nan 8.230 nan 0.000 0.442 395 D N 0.675 121.097 120.400 0.037 0.000 2.103 395 D HA -0.189 4.452 4.640 0.000 0.000 0.190 395 D C 2.269 178.579 176.300 0.018 0.000 0.997 395 D CA 1.934 55.966 54.000 0.054 0.000 0.833 395 D CB -0.576 40.209 40.800 -0.025 0.000 0.961 395 D HN 0.305 nan 8.370 nan 0.000 0.447 396 V N -0.509 119.396 119.914 -0.015 0.000 2.307 396 V HA -0.158 3.962 4.120 0.000 0.000 0.245 396 V C 1.832 177.901 176.094 -0.042 0.000 1.045 396 V CA 1.647 63.933 62.300 -0.024 0.000 1.024 396 V CB -0.643 31.168 31.823 -0.021 0.000 0.651 396 V HN 0.059 nan 8.190 nan 0.000 0.449 397 N N 1.022 119.691 118.700 -0.052 0.000 2.142 397 N HA -0.090 4.650 4.740 0.000 0.000 0.186 397 N C 2.042 177.473 175.510 -0.132 0.000 1.023 397 N CA 2.023 55.031 53.050 -0.070 0.000 0.852 397 N CB -0.185 38.270 38.487 -0.053 0.000 0.998 397 N HN 0.572 nan 8.380 nan 0.000 0.424 398 S N -0.590 114.970 115.700 -0.232 0.000 2.470 398 S HA 0.078 4.548 4.470 0.000 0.000 0.222 398 S C 0.936 175.081 174.600 -0.757 0.000 1.024 398 S CA 0.284 58.187 58.200 -0.495 0.000 0.931 398 S CB 0.216 63.025 63.200 -0.651 0.000 0.791 398 S HN 0.433 nan 8.310 nan 0.000 0.513 399 H N -0.455 118.536 119.070 -0.131 0.000 3.058 399 H HA 0.306 4.862 4.556 0.000 0.000 0.266 399 H C 1.440 176.706 175.328 -0.104 0.000 1.135 399 H CA 0.449 56.403 56.048 -0.157 0.000 1.174 399 H CB 0.273 29.912 29.762 -0.205 0.000 1.581 399 H HN 0.421 nan 8.280 nan 0.000 0.553 400 G N 1.883 110.675 108.800 -0.013 0.000 2.249 400 G HA2 -0.288 3.672 3.960 0.000 0.000 0.273 400 G HA3 -0.288 3.672 3.960 0.000 0.000 0.273 400 G C -0.142 174.752 174.900 -0.009 0.000 1.036 400 G CA 0.685 45.776 45.100 -0.015 0.000 0.824 400 G HN 0.484 nan 8.290 nan 0.000 0.504 401 E N -0.635 119.561 120.200 -0.006 0.000 2.367 401 E HA 0.399 4.750 4.350 0.000 0.000 0.273 401 E C -0.665 175.907 176.600 -0.047 0.000 0.903 401 E CA -0.953 55.429 56.400 -0.029 0.000 0.764 401 E CB 1.471 31.146 29.700 -0.043 0.000 1.252 401 E HN 0.164 nan 8.360 nan 0.000 0.446 402 N N 0.941 119.605 118.700 -0.060 0.000 2.372 402 N HA 0.282 5.022 4.740 0.000 0.000 0.291 402 N C 0.141 175.566 175.510 -0.142 0.000 1.024 402 N CA 0.021 53.024 53.050 -0.078 0.000 0.873 402 N CB 1.717 40.180 38.487 -0.039 0.000 1.206 402 N HN 0.567 nan 8.380 nan 0.000 0.486 403 A N 3.616 126.282 122.820 -0.255 0.000 1.902 403 A HA -0.090 4.231 4.320 0.000 0.000 0.217 403 A C -0.183 177.056 177.584 -0.575 0.000 1.181 403 A CA 1.338 53.063 52.037 -0.521 0.000 0.623 403 A CB -0.271 18.221 19.000 -0.845 0.000 0.818 403 A HN 0.700 nan 8.150 nan 0.000 0.443 404 Y N 0.397 120.696 120.300 -0.001 0.000 2.326 404 Y HA 0.479 5.029 4.550 0.000 0.000 0.331 404 Y C -0.160 175.743 175.900 0.004 0.000 0.962 404 Y CA -1.592 56.513 58.100 0.009 0.000 1.167 404 Y CB 1.013 39.485 38.460 0.021 0.000 1.148 404 Y HN 0.198 nan 8.280 nan 0.000 0.463 405 N N 0.870 119.654 118.700 0.139 0.000 2.453 405 N HA 0.680 5.420 4.740 0.000 0.000 0.290 405 N C -0.120 175.433 175.510 0.071 0.000 1.250 405 N CA -0.803 52.294 53.050 0.079 0.000 0.815 405 N CB 1.864 40.375 38.487 0.041 0.000 1.381 405 N HN 0.699 nan 8.380 nan 0.000 0.510 406 A N 0.000 122.847 122.820 0.046 0.000 2.254 406 A HA 0.000 4.320 4.320 0.000 0.000 0.244 406 A CA 0.000 52.057 52.037 0.034 0.000 0.836 406 A CB 0.000 19.014 19.000 0.022 0.000 0.831 406 A HN 0.000 nan 8.150 nan 0.000 0.486